id,mol_dir_name,bmrbacc,sub_id,chem_shift,intensity
1,1_3_diaminopropane,bmse000001,1,39.3182,12.5
2,1_3_diaminopropane,bmse000001,2,27.6038,6.62
3,2_3_diphospho_D_glyceric_acid,bmse000002,1,180.6244,6.14
4,2_3_diphospho_D_glyceric_acid,bmse000002,2,77.8926,9.81
5,2_3_diphospho_D_glyceric_acid,bmse000002,3,77.8397,8.95
6,2_3_diphospho_D_glyceric_acid,bmse000002,4,77.8017,8.58
7,2_3_diphospho_D_glyceric_acid,bmse000002,5,77.7593,8.04
8,2_3_diphospho_D_glyceric_acid,bmse000002,6,69.2089,12.5
9,2_deoxyguanosine,bmse000003,1,140.4376,7.32
10,2_deoxyguanosine,bmse000003,2,89.8652,7.61
11,2_deoxyguanosine,bmse000003,3,86.6745,9.57
12,2_deoxyguanosine,bmse000003,4,73.9059,12.5
13,2_deoxyguanosine,bmse000003,5,64.3305,8.45
14,2_deoxyguanosine,bmse000003,6,41.3976,8.86
15,adenine,bmse000060,1,153.1875,0.8
16,adenine,bmse000060,2,151.829,1.02
17,adenine,bmse000060,3,147.5748,11.47
18,adenine,bmse000060,4,146.3944,12.5
19,adenine,bmse000060,5,118.324,0.66
20,adenosine,bmse000061,1,155.2065,8.59
21,adenosine,bmse000061,2,151.091,3.13
22,adenosine,bmse000061,3,143.2708,6.58
23,adenosine,bmse000061,4,91.0332,10.74
24,adenosine,bmse000061,5,88.5401,11.36
25,adenosine,bmse000061,6,76.3929,12.5
26,adenosine,bmse000061,7,73.3525,11.01
27,adenosine,bmse000061,8,64.2162,10.03
28,adenosine,bmse000061,9,133.0864,1.07
29,adonitol,bmse000062,1,74.8925,6.76
30,adonitol,bmse000062,2,74.8008,11.44
31,adonitol,bmse000062,3,65.0705,12.5
32,ADP,bmse000004,1,158.1533,6.68
33,ADP,bmse000004,2,155.4207,12.01
34,ADP,bmse000004,3,151.6456,1.97
35,ADP,bmse000004,4,151.5495,1.81
36,ADP,bmse000004,5,142.8127,2.95
37,ADP,bmse000004,6,142.5832,3.64
38,ADP,bmse000004,7,121.1747,1.72
39,ADP,bmse000004,8,89.778,10.17
40,ADP,bmse000004,9,89.5551,6.01
41,ADP,bmse000004,10,87.4621,3.15
42,ADP,bmse000004,11,87.3746,3.43
43,ADP,bmse000004,12,86.4858,4.81
44,ADP,bmse000004,13,86.3979,5.28
45,ADP,bmse000004,14,77.2288,6.53
46,ADP,bmse000004,15,77.0622,12.5
47,ADP,bmse000004,16,73.4056,6.43
48,ADP,bmse000004,17,72.6057,12.04
49,ADP,bmse000004,18,67.1794,3.82
50,ADP,bmse000004,19,67.1297,3.91
51,ADP,bmse000004,20,66.2518,2.61
52,ADP,bmse000004,21,66.2091,2.71
53,agmatine,bmse000063,1,159.5178,1.15
54,agmatine,bmse000063,2,43.1542,9.26
55,agmatine,bmse000063,3,41.7324,8.53
56,agmatine,bmse000063,4,27.7024,11.07
57,agmatine,bmse000063,5,26.715,12.5
58,D_allose,bmse000008,1,96.1036,10.7
59,D_allose,bmse000008,2,95.5286,1.55
60,D_allose,bmse000008,3,76.2932,11.82
61,D_allose,bmse000008,4,74.3841,1.58
62,D_allose,bmse000008,5,73.9304,11.03
63,D_allose,bmse000008,6,73.8513,12.02
64,D_allose,bmse000008,7,69.7109,1.21
65,D_allose,bmse000008,8,69.5516,1.22
66,D_allose,bmse000008,9,69.4757,12.5
67,D_allose,bmse000008,10,68.7507,2.03
68,D_allose,bmse000008,11,63.8517,10.79
69,D_allose,bmse000008,12,63.3663,1.24
70,D_fructose,bmse000010,1,100.7878,2.8
71,D_fructose,bmse000010,2,83.3844,4
72,D_fructose,bmse000010,3,78.7409,1.35
73,D_fructose,bmse000010,4,78.0833,3.23
74,D_fructose,bmse000010,5,77.1431,3.97
75,D_fructose,bmse000010,6,72.3808,12.5
76,D_fructose,bmse000010,7,71.9017,10.92
77,D_fructose,bmse000010,8,70.2559,10.72
78,D_fructose,bmse000010,9,66.587,11.06
79,D_fructose,bmse000010,10,66.0735,12.1
80,D_fructose,bmse000010,11,65.3682,3.85
81,D_fructose,bmse000010,12,65.074,4.07
82,D_galactose,bmse000013,1,99.1714,10.5
83,D_galactose,bmse000013,2,94.9986,5.59
84,D_galactose,bmse000013,3,77.8681,12.5
85,D_galactose,bmse000013,4,75.5121,11.36
86,D_galactose,bmse000013,5,74.5893,11.5
87,D_galactose,bmse000013,6,73.1956,6.08
88,D_galactose,bmse000013,7,72.0185,5.93
89,D_galactose,bmse000013,8,71.879,5.94
90,D_galactose,bmse000013,9,71.4595,12.5
91,D_galactose,bmse000013,10,71.0589,5.22
92,D_galactose,bmse000013,11,63.8951,5.64
93,D_galactose,bmse000013,12,63.6909,11.96
94,D_glucose,bmse000015,1,98.6177,12.18
95,D_glucose,bmse000015,2,94.8017,7.46
96,D_glucose,bmse000015,3,78.6602,12.5
97,D_glucose,bmse000015,4,78.46,12.38
98,D_glucose,bmse000015,5,76.8429,11.94
99,D_glucose,bmse000015,6,75.4621,6.95
100,D_glucose,bmse000015,7,74.1868,7.96
101,D_glucose,bmse000015,8,74.1521,7.85
102,D_glucose,bmse000015,9,72.3476,7.59
103,D_glucose,bmse000015,10,72.3041,12.25
104,D_glucose,bmse000015,11,63.4496,11.55
105,D_glucose,bmse000015,12,63.2877,6.43
106,D_mannose,bmse000018,1,96.747,10.66
212,ATP,bmse000006,2,155.4997,9.32
107,D_mannose,bmse000018,2,96.3827,5.27
108,D_mannose,bmse000018,3,78.8753,4.9
109,D_mannose,bmse000018,4,75.7486,5.48
110,D_mannose,bmse000018,5,75.1093,11.15
111,D_mannose,bmse000018,6,73.9252,5.51
112,D_mannose,bmse000018,7,73.3921,10.59
113,D_mannose,bmse000018,8,72.9329,10.68
114,D_mannose,bmse000018,9,69.5495,10.82
115,D_mannose,bmse000018,10,69.3058,5.88
116,D_mannose,bmse000018,11,63.666,12.5
117,D_psicose,bmse000020,1,105.9793,2.62
118,D_psicose,bmse000020,2,101.1482,2.31
119,D_psicose,bmse000020,3,85.4184,12.5
120,D_psicose,bmse000020,4,77.3405,2.67
121,D_psicose,bmse000020,5,74.437,5.54
122,D_psicose,bmse000020,6,73.7152,3.61
123,D_psicose,bmse000020,7,73.0555,10.59
124,D_psicose,bmse000020,8,73.0326,11.16
125,D_psicose,bmse000020,9,72.9119,5.49
126,D_psicose,bmse000020,10,71.7174,6.08
127,D_psicose,bmse000020,11,68.562,7.08
128,D_psicose,bmse000020,12,68.1859,7.9
129,D_psicose,bmse000020,13,67.7838,6.98
130,D_psicose,bmse000020,14,66.8844,6.45
131,D_psicose,bmse000020,15,66.6778,4.36
132,D_psicose,bmse000020,16,65.9583,9.93
133,D_psicose,bmse000020,17,65.7568,6.2
134,D_psicose,bmse000020,18,65.5148,3.26
135,D_psicose,bmse000020,19,65.0727,3.8
136,D_psicose,bmse000020,20,64.029,7.13
137,D_psicose,bmse000020,21,60.6736,5.34
138,D_sorbose,bmse000022,1,100.4423,2.8
139,D_sorbose,bmse000022,2,76.5308,8.63
140,D_sorbose,bmse000022,3,73.0506,8.72
141,D_sorbose,bmse000022,4,72.1197,12.5
142,D_sorbose,bmse000022,5,66.1492,9.88
143,D_sorbose,bmse000022,6,64.4696,11
144,D_tagatose,bmse000023,1,100.9098,3.49
145,D_tagatose,bmse000023,2,73.6229,12.5
146,D_tagatose,bmse000023,3,72.484,10.38
147,D_tagatose,bmse000023,4,71.9743,2.2
148,D_tagatose,bmse000023,5,69.0595,10.53
149,D_tagatose,bmse000023,6,66.5918,10.06
150,D_tagatose,bmse000023,7,66.403,1.92
151,D_tagatose,bmse000023,8,66.1917,1.73
152,D_tagatose,bmse000023,9,64.9495,7.98
153,D_tagatose,bmse000023,10,62.8345,1.69
154,D_xylose,bmse000026,1,99.3304,11.78
155,D_xylose,bmse000026,2,94.9405,6.48
156,D_xylose,bmse000026,3,78.526,10.11
157,D_xylose,bmse000026,4,76.7418,12.5
158,D_xylose,bmse000026,5,75.5229,5.77
159,D_xylose,bmse000026,6,74.1661,6.42
160,D_xylose,bmse000026,7,72.1118,6.54
161,D_xylose,bmse000026,8,71.9378,12.28
162,D_xylose,bmse000026,9,67.899,10.25
163,D_xylose,bmse000026,10,63.6456,5.21
164,alpha_ketoglutaric_acid,bmse000064,1,184.1528,2.07
165,alpha_ketoglutaric_acid,bmse000064,2,38.5723,12.5
166,alpha_ketoglutaric_acid,bmse000064,3,33.3219,9.83
167,alpha_lactose,bmse000065,1,105.6382,8.25
168,alpha_lactose,bmse000065,2,98.4725,7.33
169,alpha_lactose,bmse000065,3,94.539,4.05
170,alpha_lactose,bmse000065,4,81.1636,3.89
171,alpha_lactose,bmse000065,5,81.0377,6.84
172,alpha_lactose,bmse000065,6,78.0734,12.5
173,alpha_lactose,bmse000065,7,77.522,7.34
174,alpha_lactose,bmse000065,8,77.0808,7.32
175,alpha_lactose,bmse000065,9,76.5296,7.28
176,alpha_lactose,bmse000065,10,75.2407,11.24
177,alpha_lactose,bmse000065,11,74.1286,4.28
178,alpha_lactose,bmse000065,12,73.8715,4.75
179,alpha_lactose,bmse000065,13,73.6835,9.31
180,alpha_lactose,bmse000065,14,72.8271,3.84
181,alpha_lactose,bmse000065,15,71.272,8.2
182,alpha_lactose,bmse000065,16,63.7524,7.27
183,alpha_lactose,bmse000065,17,62.8108,4.95
184,alpha_lactose,bmse000065,18,62.6765,3.11
185,4_aminobenzoic_acid,bmse000066,1,133.5667,12.5
186,4_aminobenzoic_acid,bmse000066,2,128.9442,1.1
187,4_aminobenzoic_acid,bmse000066,3,117.8119,11.36
188,AMP,bmse000005,1,158.1415,3.52
189,AMP,bmse000005,2,155.4083,9.41
190,AMP,bmse000005,3,151.6344,4.45
191,AMP,bmse000005,4,142.8031,7.78
192,AMP,bmse000005,5,121.1486,2.72
193,AMP,bmse000005,6,89.5563,11.53
194,AMP,bmse000005,7,87.4594,6.04
195,AMP,bmse000005,8,87.3722,6.06
196,AMP,bmse000005,9,77.2299,12.5
197,AMP,bmse000005,10,73.4036,12.24
198,AMP,bmse000005,11,66.25,4.83
199,AMP,bmse000005,12,66.2055,5.13
200,anthranilic_acid,bmse000067,1,150.2702,2.1
201,anthranilic_acid,bmse000067,2,134.7227,10.28
202,anthranilic_acid,bmse000067,3,133.6538,12.5
203,anthranilic_acid,bmse000067,4,123.4956,1.99
204,anthranilic_acid,bmse000067,5,120.6937,11.1
205,anthranilic_acid,bmse000067,6,120.3926,11.42
206,L_arabitol,bmse000068,1,73.609,12.5
207,L_arabitol,bmse000068,2,73.1399,11.93
208,L_arabitol,bmse000068,3,72.9514,12.49
209,L_arabitol,bmse000068,4,65.7296,10.81
210,L_arabitol,bmse000068,5,65.6383,9.86
211,ATP,bmse000006,1,158.2621,4.05
213,ATP,bmse000006,3,151.7848,3.62
214,ATP,bmse000006,4,142.6155,7.12
215,ATP,bmse000006,5,121.2616,2.51
216,ATP,bmse000006,6,89.3634,10.94
217,ATP,bmse000006,7,86.7432,5.75
218,ATP,bmse000006,8,86.6543,5.65
219,ATP,bmse000006,9,76.9481,12.5
220,ATP,bmse000006,10,72.9427,11.75
221,ATP,bmse000006,11,67.8017,4.32
222,ATP,bmse000006,12,67.7473,4.42
223,betaine,bmse000069,1,171.9654,1.21
224,betaine,bmse000069,2,68.893,3.07
225,betaine,bmse000069,3,68.8587,3.29
226,betaine,bmse000069,4,68.8297,3.27
227,betaine,bmse000069,5,56.0898,10.14
228,betaine,bmse000069,6,56.0509,12.5
229,betaine,bmse000069,7,56.0118,10.21
230,betaine_aldehyde,bmse000070,1,87.5694,9.74
231,betaine_aldehyde,bmse000070,2,56.9587,10.45
232,betaine_aldehyde,bmse000070,3,56.9195,12.5
233,betaine_aldehyde,bmse000070,4,56.8886,11.17
234,cadaverine,bmse000072,1,41.871,11.66
235,cadaverine,bmse000072,2,28.9617,12.5
236,cadaverine,bmse000072,3,25.3762,5.64
237,cAMP,bmse000071,1,158.0318,4.3
238,cAMP,bmse000071,2,155.524,10.63
239,cAMP,bmse000071,3,150.7719,4.62
240,cAMP,bmse000071,4,142.3466,9.68
241,cAMP,bmse000071,5,121.2041,3.29
242,cAMP,bmse000071,6,94.2109,12.5
243,cAMP,bmse000071,7,80.0206,6.2
244,cAMP,bmse000071,8,79.9754,6.98
245,cAMP,bmse000071,9,75.0214,7.05
246,cAMP,bmse000071,10,74.9418,7.25
247,cAMP,bmse000071,11,74.463,6.46
248,cAMP,bmse000071,12,70.0836,5.58
249,cAMP,bmse000071,13,70.0142,5.05
250,L_canavanine,bmse000073,1,177.0117,3.9
251,L_canavanine,bmse000073,2,161.2671,2
252,L_canavanine,bmse000073,3,74.5403,11.99
253,L_canavanine,bmse000073,4,55.2855,12.02
254,L_canavanine,bmse000073,5,31.809,12.5
255,D_carnitine,bmse000074,1,180.7779,2.25
256,D_carnitine,bmse000074,2,72.8193,4.47
257,D_carnitine,bmse000074,3,72.7942,3.83
258,D_carnitine,bmse000074,4,66.791,9.37
259,D_carnitine,bmse000074,5,56.8328,10.48
260,D_carnitine,bmse000074,6,56.7941,12.5
261,D_carnitine,bmse000074,7,56.7554,10.44
262,D_carnitine,bmse000074,8,45.6802,6.79
263,chorismic_acid,bmse000075,1,155.9825,4.51
264,chorismic_acid,bmse000075,2,137.1007,3.63
265,chorismic_acid,bmse000075,3,132.6303,11.7
266,chorismic_acid,bmse000075,4,131.7674,9.54
267,chorismic_acid,bmse000075,5,126.7891,9.9
268,chorismic_acid,bmse000075,6,95.5643,8.84
269,chorismic_acid,bmse000075,7,82.3153,12.5
270,chorismic_acid,bmse000075,8,72.8256,12.45
271,citrate,bmse000076,1,184.7215,1.13
272,citrate,bmse000076,2,182.0353,2.11
273,citrate,bmse000076,3,77.9249,1.44
274,citrate,bmse000076,4,48.4023,12.5
275,coumarin,bmse000077,1,163.4646,0.72
276,coumarin,bmse000077,2,156.7265,1.12
277,coumarin,bmse000077,3,146.1206,6.54
278,coumarin,bmse000077,4,134.5133,12.5
279,coumarin,bmse000077,5,130.5441,8.87
280,coumarin,bmse000077,6,127.1083,11.93
281,coumarin,bmse000077,7,121.5098,1.08
282,coumarin,bmse000077,8,119.5804,6.82
283,coumarin,bmse000077,9,119.3784,7.14
284,creatine,bmse000078,1,177.3494,1.87
285,creatine,bmse000078,2,56.549,12.5
286,creatine,bmse000078,3,39.6249,7.16
287,creatine_phosphate,bmse000079,1,177.5977,1.69
288,creatine_phosphate,bmse000079,2,56.5658,12.5
289,creatine_phosphate,bmse000079,3,39.5149,7.02
290,dehydro_proline,bmse000080,1,174.9837,1.15
291,dehydro_proline,bmse000080,2,128.3998,11.9
292,dehydro_proline,bmse000080,3,128.1163,10.28
293,dehydro_proline,bmse000080,4,71.129,8.12
294,dehydro_proline,bmse000080,5,55.1054,12.5
295,D_3_phosphoglyceric_acid,bmse000007,1,181.5589,4.18
296,D_3_phosphoglyceric_acid,bmse000007,2,75.6758,11.64
297,D_3_phosphoglyceric_acid,bmse000007,3,75.5997,9.71
298,D_3_phosphoglyceric_acid,bmse000007,4,69.5144,10.45
299,D_3_phosphoglyceric_acid,bmse000007,5,69.4639,12.5
300,D_fructose_1_6_bisphosphate,bmse000011,1,107.7441,1.24
301,D_fructose_1_6_bisphosphate,bmse000011,2,107.6859,1.45
302,D_fructose_1_6_bisphosphate,bmse000011,3,103.7998,2.79
303,D_fructose_1_6_bisphosphate,bmse000011,4,103.7169,2.58
304,D_fructose_1_6_bisphosphate,bmse000011,5,84.7524,1.84
305,D_fructose_1_6_bisphosphate,bmse000011,6,84.6734,1.8
306,D_fructose_1_6_bisphosphate,bmse000011,7,84.1618,3.88
307,D_fructose_1_6_bisphosphate,bmse000011,8,82.4331,4.33
308,D_fructose_1_6_bisphosphate,bmse000011,9,82.3517,4.54
309,D_fructose_1_6_bisphosphate,bmse000011,10,79.436,3.58
310,D_fructose_1_6_bisphosphate,bmse000011,11,78.4857,12.5
311,D_fructose_1_6_bisphosphate,bmse000011,12,76.8309,8.44
312,D_fructose_1_6_bisphosphate,bmse000011,13,68.3534,4.96
313,D_fructose_1_6_bisphosphate,bmse000011,14,67.3714,1.78
314,D_fructose_1_6_bisphosphate,bmse000011,15,67.0519,6.07
315,D_fructose_1_6_bisphosphate,bmse000011,16,67.0078,5.96
316,D_fructose_1_6_bisphosphate,bmse000011,17,66.9036,2.2
317,D_fructose_1_6_bisphosphate,bmse000011,18,66.8591,2.2
318,D_fructose_6_phosphate,bmse000012,1,107.1352,1.18
319,D_fructose_6_phosphate,bmse000012,2,104.1799,5.96
320,D_fructose_6_phosphate,bmse000012,3,84.4579,2.69
321,D_fructose_6_phosphate,bmse000012,4,83.1582,1.38
322,D_fructose_6_phosphate,bmse000012,5,83.081,1.12
323,D_fructose_6_phosphate,bmse000012,6,82.6592,6.1
324,D_fructose_6_phosphate,bmse000012,7,82.5783,5.8
325,D_fructose_6_phosphate,bmse000012,8,78.536,2.85
326,D_fructose_6_phosphate,bmse000012,9,77.8697,12.5
327,D_fructose_6_phosphate,bmse000012,10,77.0604,11.73
328,D_fructose_6_phosphate,bmse000012,11,67.0498,5.65
329,D_fructose_6_phosphate,bmse000012,12,67.0041,5.36
330,D_fructose_6_phosphate,bmse000012,13,66.1661,1.42
331,D_fructose_6_phosphate,bmse000012,14,65.5593,2.38
332,D_fructose_6_phosphate,bmse000012,15,65.331,9.82
333,D_glucosamine,bmse000014,1,96.4205,8.72
334,D_glucosamine,bmse000014,2,92.2506,9.77
335,D_glucosamine,bmse000014,3,78.8513,9.64
336,D_glucosamine,bmse000014,4,75.5831,6.35
337,D_glucosamine,bmse000014,5,74.3295,12.27
338,D_glucosamine,bmse000014,6,72.756,10.13
339,D_glucosamine,bmse000014,7,72.4003,6.63
340,D_glucosamine,bmse000014,8,72.3164,12.5
341,D_glucosamine,bmse000014,9,63.2588,6.09
342,D_glucosamine,bmse000014,10,63.0618,8.38
343,D_glucosamine,bmse000014,11,59.6201,8.02
344,D_glucosamine,bmse000014,12,57.0959,11.82
345,D_glucose_6_phosphate,bmse000016,1,98.7788,8.55
346,D_glucose_6_phosphate,bmse000016,2,94.9276,4.89
347,D_glucose_6_phosphate,bmse000016,3,78.1764,4.82
348,D_glucose_6_phosphate,bmse000016,4,78.106,3.56
349,D_glucose_6_phosphate,bmse000016,5,77.9455,6.69
350,D_glucose_6_phosphate,bmse000016,6,76.9831,9.41
351,D_glucose_6_phosphate,bmse000016,7,75.0341,3.92
352,D_glucose_6_phosphate,bmse000016,8,74.314,4.27
353,D_glucose_6_phosphate,bmse000016,9,73.8171,2.12
354,D_glucose_6_phosphate,bmse000016,10,73.7484,2.83
355,D_glucose_6_phosphate,bmse000016,11,71.7635,12.5
356,D_glucose_6_phosphate,bmse000016,12,65.5737,3.84
357,D_glucose_6_phosphate,bmse000016,13,65.5308,3.24
358,D_glucose_6_phosphate,bmse000016,14,65.4799,2.31
359,D_maltose,bmse000017,1,102.3099,6.16
360,D_maltose,bmse000017,2,102.2275,9.38
361,D_maltose,bmse000017,3,98.4704,10.34
362,D_maltose,bmse000017,4,94.5912,6.33
363,D_maltose,bmse000017,5,79.5285,5.17
364,D_maltose,bmse000017,6,79.3217,8.47
365,D_maltose,bmse000017,7,78.9276,9.15
366,D_maltose,bmse000017,8,77.2648,10.83
367,D_maltose,bmse000017,9,76.7045,8.61
368,D_maltose,bmse000017,10,75.9471,5.48
369,D_maltose,bmse000017,11,75.5584,7.84
370,D_maltose,bmse000017,12,75.5345,10.55
371,D_maltose,bmse000017,13,75.3859,9.92
372,D_maltose,bmse000017,14,74.4492,5.89
373,D_maltose,bmse000017,15,74.3558,8.17
374,D_maltose,bmse000017,16,73.9924,5.77
375,D_maltose,bmse000017,17,72.6486,6.16
376,D_maltose,bmse000017,18,72.0198,8.44
377,D_maltose,bmse000017,19,63.4361,6.09
378,D_maltose,bmse000017,20,63.2871,4.41
379,D_maltose,bmse000017,21,63.1596,12.5
380,D_ornithine,bmse000019,1,56.8208,12.5
381,D_ornithine,bmse000019,2,41.5722,10.12
382,D_ornithine,bmse000019,3,30.1825,12.11
383,D_ornithine,bmse000019,4,25.4604,8.77
384,D_threo_isocitric_acid,bmse000025,1,183.683,6.79
385,D_threo_isocitric_acid,bmse000025,2,182.958,3.11
386,D_threo_isocitric_acid,bmse000025,3,76.3916,11.16
387,D_threo_isocitric_acid,bmse000025,4,51.8047,12.5
388,D_threo_isocitric_acid,bmse000025,5,40.3285,10.98
389,D_xylulose,bmse000027,1,108.4502,1.01
390,D_xylulose,bmse000027,2,105.6511,3.08
391,D_xylulose,bmse000027,3,83.18,3.1
392,D_xylulose,bmse000027,4,78.9065,11.61
393,D_xylulose,bmse000027,5,78.5426,3.96
394,D_xylulose,bmse000027,6,78.011,2.93
395,D_xylulose,bmse000027,7,77.5565,9.89
396,D_xylulose,bmse000027,8,74.6749,2.45
397,D_xylulose,bmse000027,9,74.6163,2.47
398,D_xylulose,bmse000027,10,72.5201,10.76
399,D_xylulose,bmse000027,11,68.7345,3.03
400,D_xylulose,bmse000027,12,65.6799,12.5
401,D_xylulose,bmse000027,13,65.1062,3.07
402,D_xylulose,bmse000027,14,64.5556,3.06
403,fumaric_acid,bmse000083,1,177.424,1.91
404,fumaric_acid,bmse000083,2,138.042,12.5
405,gluconic_acid,bmse000084,1,181.3386,1.89
406,gluconic_acid,bmse000084,2,76.7743,10.33
407,gluconic_acid,bmse000084,3,75.2613,9.8
408,gluconic_acid,bmse000084,4,73.8705,12.36
409,gluconic_acid,bmse000084,5,73.6525,10.2
410,gluconic_acid,bmse000084,6,65.308,12.5
411,alpha_D_glucose_1_phosphate,bmse000086,1,96.3867,5.99
412,alpha_D_glucose_1_phosphate,bmse000086,2,96.3335,6.2
413,alpha_D_glucose_1_phosphate,bmse000086,3,75.8391,10.34
414,alpha_D_glucose_1_phosphate,bmse000086,4,74.9392,5.94
415,alpha_D_glucose_1_phosphate,bmse000086,5,74.871,6.51
416,alpha_D_glucose_1_phosphate,bmse000086,6,74.7037,12.5
417,alpha_D_glucose_1_phosphate,bmse000086,7,72.4482,11.49
418,alpha_D_glucose_1_phosphate,bmse000086,8,63.3999,9.58
419,alpha_D_glucose_1_6_bisphosphate,bmse000087,1,96.6014,6.13
420,alpha_D_glucose_1_6_bisphosphate,bmse000087,2,96.5465,7.96
421,alpha_D_glucose_1_6_bisphosphate,bmse000087,3,75.3449,11.03
422,alpha_D_glucose_1_6_bisphosphate,bmse000087,4,75.0612,6.57
423,alpha_D_glucose_1_6_bisphosphate,bmse000087,5,74.9873,7.68
424,alpha_D_glucose_1_6_bisphosphate,bmse000087,6,74.3802,6.65
425,alpha_D_glucose_1_6_bisphosphate,bmse000087,7,74.317,7.4
426,alpha_D_glucose_1_6_bisphosphate,bmse000087,8,71.5781,12.5
427,alpha_D_glucose_1_6_bisphosphate,bmse000087,9,65.3993,4.84
428,alpha_D_glucose_1_6_bisphosphate,bmse000087,10,65.3536,5.06
429,glycine,bmse000089,1,175.1557,1.97
430,glycine,bmse000089,2,44.1252,12.5
431,guanine,bmse000090,1,170.3632,9.04
432,guanine,bmse000090,2,163.6535,12.5
433,guanine,bmse000090,3,161.8796,11.9
434,guanine,bmse000090,4,120.9619,9.12
435,guanosine,bmse000091,1,170.5025,1.71
436,guanosine,bmse000091,2,163.3657,1.47
437,guanosine,bmse000091,3,153.5645,2.67
438,guanosine,bmse000091,4,139.3656,9.14
439,guanosine,bmse000091,5,121.0084,1.46
440,guanosine,bmse000091,6,90.841,11.95
441,guanosine,bmse000091,7,88.5938,12.21
442,guanosine,bmse000091,8,75.8197,12.21
443,guanosine,bmse000091,9,73.7609,12.5
444,guanosine,bmse000091,10,64.5009,9.96
445,4_hydroxybenzoic_acid,bmse000092,1,161.2131,1.26
446,4_hydroxybenzoic_acid,bmse000092,2,133.942,12.5
447,4_hydroxybenzoic_acid,bmse000092,3,130.8287,1.62
448,4_hydroxybenzoic_acid,bmse000092,4,117.592,10.22
449,trans_3_hydroxycinnamic_acid,bmse000093,1,178.4192,2.27
450,trans_3_hydroxycinnamic_acid,bmse000093,2,158.5422,3.6
451,trans_3_hydroxycinnamic_acid,bmse000093,3,143.1901,8.95
452,trans_3_hydroxycinnamic_acid,bmse000093,4,139.6042,3.48
453,trans_3_hydroxycinnamic_acid,bmse000093,5,133.0298,11.46
454,trans_3_hydroxycinnamic_acid,bmse000093,6,127.174,8.41
455,trans_3_hydroxycinnamic_acid,bmse000093,7,122.9365,12.5
456,trans_3_hydroxycinnamic_acid,bmse000093,8,119.3249,10.36
457,trans_3_hydroxycinnamic_acid,bmse000093,9,116.6163,10.36
458,hypoxanthine,bmse000094,1,164.9523,1.17
459,hypoxanthine,bmse000094,2,159.7264,2.08
460,hypoxanthine,bmse000094,3,150.37,10.69
461,hypoxanthine,bmse000094,4,149.1756,12.5
462,hypoxanthine,bmse000094,5,123.2364,1.06
463,imidazole,bmse000096,1,137.7708,3.03
464,imidazole,bmse000096,2,123.4233,12.5
465,indole,bmse000097,1,138.3981,1.25
466,indole,bmse000097,2,130.4755,1.24
467,indole,bmse000097,3,126.7831,8.65
468,indole,bmse000097,4,124.6229,12.5
469,indole,bmse000097,5,123.3758,10.66
470,indole,bmse000097,6,122.4493,10.48
471,indole,bmse000097,7,113.6756,9.74
472,indole,bmse000097,8,105.2378,11.58
473,inosine,bmse000098,1,151.078,2.3
474,inosine,bmse000098,2,148.9185,8.98
475,inosine,bmse000098,3,142.8874,7.4
476,inosine,bmse000098,4,126.8411,1.65
477,inosine,bmse000098,5,91.1086,8.08
478,inosine,bmse000098,6,88.2694,11.43
479,inosine,bmse000098,7,76.7759,12.5
480,inosine,bmse000098,8,73.0828,10.32
481,inosine,bmse000098,9,64.0173,8.72
482,i_erythritol,bmse000095,1,74.6148,12.5
483,i_erythritol,bmse000095,2,65.3077,8.45
484,L_alanine,bmse000028,1,178.5574,1.16
485,L_alanine,bmse000028,2,53.2035,9.48
486,L_alanine,bmse000028,3,18.8465,12.5
487,L_arginine,bmse000029,1,177.2125,3.21
488,L_arginine,bmse000029,2,57.0216,10.14
489,L_arginine,bmse000029,3,43.2011,12.5
490,L_arginine,bmse000029,4,30.2885,11.19
491,L_arginine,bmse000029,5,26.5758,9.54
492,L_asparagine,bmse000030,1,177.1771,1.47
493,L_asparagine,bmse000030,2,176.209,1.94
494,L_asparagine,bmse000030,3,53.9932,12.5
495,L_asparagine,bmse000030,4,37.2983,11.26
496,L_aspartic_acid,bmse000031,1,180.297,3.41
497,L_aspartic_acid,bmse000031,2,176.9954,2.67
498,L_aspartic_acid,bmse000031,3,54.9142,11.68
499,L_aspartic_acid,bmse000031,4,39.2604,12.5
500,L_citrulline,bmse000032,1,177.3878,3.15
501,L_citrulline,bmse000032,2,164.2805,1.25
502,L_citrulline,bmse000032,3,57.2048,11.84
503,L_citrulline,bmse000032,4,41.9551,1.88
504,L_citrulline,bmse000032,5,30.4444,12.5
505,L_citrulline,bmse000032,6,27.6682,7.93
506,L_cystathionine,bmse000033,1,56.4392,8
507,L_cystathionine,bmse000033,2,56.2614,10.81
508,L_cystathionine,bmse000033,3,34.8058,9.84
509,L_cystathionine,bmse000033,4,32.8913,9.2
510,L_cystathionine,bmse000033,5,29.7625,12.5
511,L_cysteine,bmse000034,1,58.731,9.48
512,L_cysteine,bmse000034,2,27.687,12.5
513,L_cystine,bmse000035,1,183.331,3.03
514,L_cystine,bmse000035,2,57.5783,12.5
515,L_cystine,bmse000035,3,46.0281,10.99
516,L_fucose,bmse000036,1,98.936,11.78
517,L_fucose,bmse000036,2,94.9206,4.76
518,L_fucose,bmse000036,3,75.6252,9.59
519,L_fucose,bmse000036,4,74.6014,4.86
520,L_fucose,bmse000036,5,74.3627,10.92
521,L_fucose,bmse000036,6,74.1543,8.8
522,L_fucose,bmse000036,7,73.586,9.85
523,L_fucose,bmse000036,8,71.9701,4.6
524,L_fucose,bmse000036,9,70.7832,3.67
525,L_fucose,bmse000036,10,69.0314,4.4
526,L_fucose,bmse000036,11,18.2232,12.5
527,L_glutamic_acid,bmse000037,1,184.0438,2.16
528,L_glutamic_acid,bmse000037,2,177.297,1.79
529,L_glutamic_acid,bmse000037,3,57.3356,12.29
530,L_glutamic_acid,bmse000037,4,36.1753,9.58
531,L_glutamic_acid,bmse000037,5,29.6742,12.5
532,L_glutamine,bmse000038,1,180.3694,1.86
533,L_glutamine,bmse000038,2,176.8264,2.47
534,L_glutamine,bmse000038,3,56.8326,9.96
535,L_glutamine,bmse000038,4,33.528,10.99
536,L_glutamine,bmse000038,5,28.9528,12.5
537,L_histidine,bmse000039,1,176.6511,1.83
538,L_histidine,bmse000039,2,138.9728,9.16
539,L_histidine,bmse000039,3,134.6686,2.25
540,L_histidine,bmse000039,4,119.5492,8.47
541,L_histidine,bmse000039,5,57.4737,12.5
542,L_histidine,bmse000039,6,30.7804,11.71
543,L_homoserine,bmse000040,1,177.2374,1.7
544,L_homoserine,bmse000040,2,61.3363,12.5
545,L_homoserine,bmse000040,3,56.0719,8.39
546,L_homoserine,bmse000040,4,34.8823,11.17
547,L_isoleucine,bmse000041,1,176.9223,1.89
548,L_isoleucine,bmse000041,2,62.2493,12.5
549,L_isoleucine,bmse000041,3,38.5957,9.56
550,L_isoleucine,bmse000041,4,27.1531,12.15
551,L_isoleucine,bmse000041,5,17.3893,8.4
552,L_isoleucine,bmse000041,6,13.8035,7.76
553,L_leucine,bmse000042,1,178.3284,2.9
554,L_leucine,bmse000042,2,56.1175,11.06
555,L_leucine,bmse000042,3,42.5151,11.41
556,L_leucine,bmse000042,4,26.8579,12.5
557,L_leucine,bmse000042,5,24.7283,9.43
558,L_leucine,bmse000042,6,23.5808,12.45
559,L_lysine,bmse000043,1,177.4077,2.58
560,L_lysine,bmse000043,2,57.1969,9.77
561,L_lysine,bmse000043,3,41.7595,10.04
562,L_lysine,bmse000043,4,32.6068,10.59
563,L_lysine,bmse000043,5,29.1125,12.5
564,L_lysine,bmse000043,6,24.1325,10.95
565,malic_acid,bmse000046,1,183.7669,2.25
566,malic_acid,bmse000046,2,182.5706,2
567,malic_acid,bmse000046,3,73.0495,9.52
568,malic_acid,bmse000046,4,45.3174,12.5
569,L_methionine,bmse000044,1,177.0256,1.63
570,L_methionine,bmse000044,2,56.5949,11.7
571,L_methionine,bmse000044,3,32.3948,11.02
572,L_methionine,bmse000044,4,31.5117,12.5
573,L_methionine,bmse000044,5,16.6207,5.66
574,L_phenylalanine,bmse000045,1,137.8245,2.32
575,L_phenylalanine,bmse000045,2,132.08,12.5
576,L_phenylalanine,bmse000045,3,131.8234,9.6
577,L_phenylalanine,bmse000045,4,130.4017,5.37
578,L_phenylalanine,bmse000045,5,58.7477,5.25
579,L_phenylalanine,bmse000045,6,39.0993,5.55
580,L_proline,bmse000047,1,177.4144,1.3
581,L_proline,bmse000047,2,63.9229,11.05
582,L_proline,bmse000047,3,48.7631,9.32
583,L_proline,bmse000047,4,31.6863,12.5
584,L_proline,bmse000047,5,26.4548,9.6
585,L_serine,bmse000048,1,62.8928,12.5
586,L_serine,bmse000048,2,59.0815,8.62
587,L_threonine,bmse000049,1,175.6411,1.16
588,L_threonine,bmse000049,2,68.6408,12.03
589,L_threonine,bmse000049,3,63.1368,12.5
590,L_threonine,bmse000049,4,22.1352,12.2
591,L_tryptophan,bmse000050,1,177.255,2.71
592,L_tryptophan,bmse000050,2,139.0401,1.59
593,L_tryptophan,bmse000050,3,129.3512,1.89
594,L_tryptophan,bmse000050,4,127.7463,10.84
595,L_tryptophan,bmse000050,5,124.8346,12.27
596,L_tryptophan,bmse000050,6,122.1638,12.5
597,L_tryptophan,bmse000050,7,121.1566,12.38
598,L_tryptophan,bmse000050,8,114.6587,10.23
599,L_tryptophan,bmse000050,9,110.1782,4.04
600,L_tryptophan,bmse000050,10,57.7537,11.28
601,L_tryptophan,bmse000050,11,29.1016,11.57
602,L_tyrosine,bmse000051,1,184.1279,1.35
603,L_tyrosine,bmse000051,2,163.7886,1.13
604,L_tyrosine,bmse000051,3,133.3998,10.61
605,L_tyrosine,bmse000051,4,128.0459,2.21
606,L_tyrosine,bmse000051,5,120.2955,12.5
607,L_tyrosine,bmse000051,6,60.0412,5.12
608,L_tyrosine,bmse000051,7,41.8233,4.45
609,L_valine,bmse000052,1,63.0706,10.1
610,L_valine,bmse000052,2,31.7958,11.73
611,L_valine,bmse000052,3,20.6547,12.29
612,L_valine,bmse000052,4,19.3267,12.5
613,D_mannitol,bmse000099,1,73.4901,12.5
614,D_mannitol,bmse000099,2,71.9258,8.62
615,D_mannitol,bmse000099,3,65.9197,11.81
616,meso_erythritol,bmse000100,1,74.6159,12.5
617,meso_erythritol,bmse000100,2,65.309,8.37
618,methyl_oxobutanoic_acid,bmse000101,1,39.7045,5.48
619,methyl_oxobutanoic_acid,bmse000101,2,19.0607,12.5
620,muco_inositol,bmse000102,1,75.0137,6.8
621,muco_inositol,bmse000102,2,72.8728,12.5
622,myo_inositol,bmse000103,1,77.0519,5.9
623,myo_inositol,bmse000103,2,75.1054,12.5
624,myo_inositol,bmse000103,3,74.8867,4.4
625,myo_inositol,bmse000103,4,73.8316,10.8
626,NAD,bmse000053,1,167.8653,3.69
627,NAD,bmse000053,2,158.0181,4.21
628,NAD,bmse000053,3,155.468,8.5
629,NAD,bmse000053,4,151.5966,5.8
630,NAD,bmse000053,5,148.4441,6.77
631,NAD,bmse000053,6,145.0618,5.64
632,NAD,bmse000053,7,142.6338,5.11
633,NAD,bmse000053,8,142.3914,7.13
634,NAD,bmse000053,9,136.3277,6.28
635,NAD,bmse000053,10,131.3233,7.72
636,NAD,bmse000053,11,121.0165,3.15
637,NAD,bmse000053,12,102.7367,9.04
638,NAD,bmse000053,13,89.7361,5.45
639,NAD,bmse000053,14,89.6488,5.15
640,NAD,bmse000053,15,89.3547,10.54
641,NAD,bmse000053,16,86.5859,5.25
642,NAD,bmse000053,17,86.4979,5.24
643,NAD,bmse000053,18,80.3065,12.5
644,NAD,bmse000053,19,76.6526,12.24
645,NAD,bmse000053,20,73.2929,11.75
646,NAD,bmse000053,21,73.0829,11.48
647,NAD,bmse000053,22,68.1579,4.36
648,NAD,bmse000053,23,68.1059,4.27
649,NAD,bmse000053,24,67.6491,4.7
650,NAD,bmse000053,25,67.5973,4.24
651,NADH,bmse000054,1,175.3474,5.48
652,NADH,bmse000054,2,158.1968,4.24
653,NADH,bmse000054,3,155.4171,8.83
654,NADH,bmse000054,4,151.5844,5.71
655,NADH,bmse000054,5,142.3515,6.8
656,NADH,bmse000054,6,141.1257,9.71
657,NADH,bmse000054,7,126.4094,7.79
658,NADH,bmse000054,8,121.2963,4.16
659,NADH,bmse000054,9,108.0387,9.52
660,NADH,bmse000054,10,102.5371,7.01
661,NADH,bmse000054,11,97.7448,9.22
662,NADH,bmse000054,12,89.7936,11.06
663,NADH,bmse000054,13,86.3582,5.51
664,NADH,bmse000054,14,85.0981,5.6
665,NADH,bmse000054,15,77.2518,12.23
666,NADH,bmse000054,16,73.4643,12.14
667,NADH,bmse000054,17,73.2824,12.5
668,NADH,bmse000054,18,72.9239,9.04
669,NADH,bmse000054,19,68.6321,4.65
670,NADH,bmse000054,20,67.8556,4.52
671,NADH,bmse000054,21,24.5551,8.23
672,NADH,bmse000054,22,19.5029,3.45
673,NADPH,bmse000055,1,175.4549,3.91
674,NADPH,bmse000055,2,158.2562,4.4
675,NADPH,bmse000055,3,155.3726,8.4
676,NADPH,bmse000055,4,151.6612,4.78
677,NADPH,bmse000055,5,142.7666,6.52
678,NADPH,bmse000055,6,141.0746,8.37
679,NADPH,bmse000055,7,126.4637,8.6
680,NADPH,bmse000055,8,108.0154,8.41
681,NADPH,bmse000055,9,102.5834,6.37
682,NADPH,bmse000055,10,97.6847,9.4
683,NADPH,bmse000055,11,89.5671,4.71
684,NADPH,bmse000055,12,89.4832,4.7
685,NADPH,bmse000055,13,85.6232,4.52
686,NADPH,bmse000055,14,85.136,4.45
687,NADPH,bmse000055,15,79.2632,4.94
688,NADPH,bmse000055,16,73.4756,12.5
689,NADPH,bmse000055,17,73.324,11.5
690,NADPH,bmse000055,18,72.7309,8.21
691,NADPH,bmse000055,19,68.5416,4.39
692,NADPH,bmse000055,20,67.9571,5.25
693,NADPH,bmse000055,21,24.6213,6.74
694,niacin,bmse000104,1,176.0593,0.88
695,niacin,bmse000104,2,153.1473,12.5
696,niacin,bmse000104,3,151.7346,9.43
697,niacin,bmse000104,4,140.3918,11.16
698,niacin,bmse000104,5,135.0395,2.37
699,niacin,bmse000104,6,126.6461,10.94
700,nicotine,bmse000105,1,152.9553,11.86
701,nicotine,bmse000105,2,151.8079,8.39
702,nicotine,bmse000105,3,139.9786,11.24
703,nicotine,bmse000105,4,132.2848,2.82
704,nicotine,bmse000105,5,127.6138,11.08
705,nicotine,bmse000105,6,72.3903,8.23
706,nicotine,bmse000105,7,58.7754,9.8
707,nicotine,bmse000105,8,40.9138,11.41
708,nicotine,bmse000105,9,33.0757,8.96
709,nicotine,bmse000105,10,24.2203,12.5
710,N_acetylneuraminic_acid,bmse000057,1,179.4931,2.99
711,N_acetylneuraminic_acid,bmse000057,2,177.4691,5.36
712,N_acetylneuraminic_acid,bmse000057,3,99.1066,6.81
713,N_acetylneuraminic_acid,bmse000057,4,73.0136,10.35
714,N_acetylneuraminic_acid,bmse000057,5,72.9084,11.02
715,N_acetylneuraminic_acid,bmse000057,6,71.2583,9.48
716,N_acetylneuraminic_acid,bmse000057,7,70.0063,10.08
717,N_acetylneuraminic_acid,bmse000057,8,66.0063,10.13
718,N_acetylneuraminic_acid,bmse000057,9,54.9693,12.5
719,N_acetylneuraminic_acid,bmse000057,10,42.0905,8.84
720,N_acetylneuraminic_acid,bmse000057,11,24.8195,11.34
721,N_acetyl_D_mannosamine,bmse000056,1,178.4248,1.93
722,N_acetyl_D_mannosamine,bmse000056,2,177.4968,2.6
723,N_acetyl_D_mannosamine,bmse000056,3,95.8209,8.31
724,N_acetyl_D_mannosamine,bmse000056,4,95.688,9.13
725,N_acetyl_D_mannosamine,bmse000056,5,79.0399,10.23
726,N_acetyl_D_mannosamine,bmse000056,6,74.7525,9.08
727,N_acetyl_D_mannosamine,bmse000056,7,74.6939,8.91
728,N_acetyl_D_mannosamine,bmse000056,8,71.5593,11.26
729,N_acetyl_D_mannosamine,bmse000056,9,69.4618,11.11
730,N_acetyl_D_mannosamine,bmse000056,10,69.1894,8.23
731,N_acetyl_D_mannosamine,bmse000056,11,63.0714,12.5
732,N_acetyl_D_mannosamine,bmse000056,12,56.7834,6.76
733,N_acetyl_D_mannosamine,bmse000056,13,55.9143,11.74
734,N_acetyl_D_mannosamine,bmse000056,14,24.7467,6.42
735,N_acetyl_D_mannosamine,bmse000056,15,24.6103,7.83
736,oxalate,bmse000106,1,176.1386,12.5
737,O_succinyl_L_homoserine,bmse000058,1,183.8863,2.56
738,O_succinyl_L_homoserine,bmse000058,2,178.3647,2.14
739,O_succinyl_L_homoserine,bmse000058,3,176.7702,2.64
740,O_succinyl_L_homoserine,bmse000058,4,64.4599,9.53
741,O_succinyl_L_homoserine,bmse000058,5,55.5165,8.79
742,O_succinyl_L_homoserine,bmse000058,6,35.6935,1.47
743,O_succinyl_L_homoserine,bmse000058,7,34.6435,11.39
744,O_succinyl_L_homoserine,bmse000058,8,33.1998,12.5
745,O_succinyl_L_homoserine,bmse000058,9,32.0477,7.9
746,phosphoenolpyruvic_acid,bmse000107,1,152.4983,4.37
747,phosphoenolpyruvic_acid,bmse000107,2,152.4267,2.42
748,phosphoenolpyruvic_acid,bmse000107,3,102.8677,10.91
749,phosphoenolpyruvic_acid,bmse000107,4,102.8401,12.5
750,prephenic_acid,bmse000108,1,134.012,12.19
751,prephenic_acid,bmse000108,2,130.3553,12.5
752,prephenic_acid,bmse000108,3,64.0727,7.77
753,prephenic_acid,bmse000108,4,51.2462,2.5
754,prephenic_acid,bmse000108,5,50.6545,5.86
755,putrescine,bmse000109,1,41.551,11.73
756,putrescine,bmse000109,2,26.5984,12.5
757,pyridoxal,bmse000110,1,161.5671,1.78
758,pyridoxal,bmse000110,2,148.0785,2.3
759,pyridoxal,bmse000110,3,140.9568,3.28
760,pyridoxal,bmse000110,4,139.5279,4.52
761,pyridoxal,bmse000110,5,120.0727,6.07
762,pyridoxal,bmse000110,6,102.0212,10.48
763,pyridoxal,bmse000110,7,72.5072,12.5
764,pyridoxal,bmse000110,8,17.5108,7.09
765,pyridoxal_5_phosphate,bmse000111,1,198.7901,4.06
766,pyridoxal_5_phosphate,bmse000111,2,154.2739,7.56
767,pyridoxal_5_phosphate,bmse000111,3,139.0553,2.73
768,pyridoxal_5_phosphate,bmse000111,4,138.9802,2.7
769,pyridoxal_5_phosphate,bmse000111,5,128.8539,3.48
770,pyridoxal_5_phosphate,bmse000111,6,126.7748,3.24
771,pyridoxal_5_phosphate,bmse000111,7,91.4524,2.95
772,pyridoxal_5_phosphate,bmse000111,8,64.4322,9.86
773,pyridoxal_5_phosphate,bmse000111,9,64.3954,7.79
774,pyridoxal_5_phosphate,bmse000111,10,18.7125,12.5
775,pyridoxal_5_phosphate,bmse000111,11,17.3618,2.26
776,pyridoxamine,bmse000130,1,165.5851,1.63
777,pyridoxamine,bmse000130,2,148.1236,2.38
778,pyridoxamine,bmse000130,3,138.2661,5.06
779,pyridoxamine,bmse000130,4,134.7636,2.63
780,pyridoxamine,bmse000130,5,126.6506,8.52
781,pyridoxamine,bmse000130,6,61.8257,9.73
782,pyridoxamine,bmse000130,7,39.2287,12.5
783,pyridoxamine,bmse000130,8,18.1093,10.27
784,pyridoxamine_5_phosphate,bmse000131,1,165.6996,3.42
785,pyridoxamine_5_phosphate,bmse000131,2,147.3396,4.49
786,pyridoxamine_5_phosphate,bmse000131,3,137.5932,4.37
787,pyridoxamine_5_phosphate,bmse000131,4,137.5201,3.66
788,pyridoxamine_5_phosphate,bmse000131,5,135.8735,6.9
789,pyridoxamine_5_phosphate,bmse000131,6,125.9833,8.38
790,pyridoxamine_5_phosphate,bmse000131,7,64.3374,8.14
791,pyridoxamine_5_phosphate,bmse000131,8,64.2962,7.45
792,pyridoxamine_5_phosphate,bmse000131,9,38.955,12.5
793,pyridoxamine_5_phosphate,bmse000131,10,17.7372,11.91
794,scyllo_inositol,bmse000113,1,76.2821,12.5
795,shikimic_acid,bmse000114,1,178.0757,1.84
796,shikimic_acid,bmse000114,2,138.7121,3.69
797,shikimic_acid,bmse000114,3,133.2065,8.63
798,shikimic_acid,bmse000114,4,74.7462,8.91
799,shikimic_acid,bmse000114,5,69.5201,11.73
800,shikimic_acid,bmse000114,6,68.9871,12.5
801,shikimic_acid,bmse000114,7,35.3685,8.86
802,D_sorbitol,bmse000115,1,75.6364,11.8
803,D_sorbitol,bmse000115,2,73.7844,11.91
804,D_sorbitol,bmse000115,3,73.6628,11.46
805,D_sorbitol,bmse000115,4,72.3478,12.5
806,D_sorbitol,bmse000115,5,65.5074,7.86
807,D_sorbitol,bmse000115,6,65.1126,9.65
808,spermidine,bmse000116,1,49.7685,12.5
809,spermidine,bmse000116,2,47.255,9.6
810,spermidine,bmse000116,3,41.5152,10.94
811,spermidine,bmse000116,4,39.2998,10.61
812,spermidine,bmse000116,5,26.64,10.09
813,spermidine,bmse000116,6,26.5227,9.51
814,spermidine,bmse000116,7,25.4882,11.59
815,spermine,bmse000117,1,50.4642,10.16
816,spermine,bmse000117,2,48.3361,12.5
817,spermine,bmse000117,3,40.6981,12.1
818,spermine,bmse000117,4,30.823,7.1
819,spermine,bmse000117,5,27.6835,10.97
820,succinic_acid,bmse000118,1,185.1648,1.78
821,succinic_acid,bmse000118,2,36.8897,12.5
822,sucrose,bmse000119,1,106.3887,6.15
823,sucrose,bmse000119,2,94.8829,11.39
824,sucrose,bmse000119,3,84.0666,11.94
825,sucrose,bmse000119,4,79.0967,11.54
826,sucrose,bmse000119,5,76.6892,12.13
827,sucrose,bmse000119,6,75.2562,11.56
828,sucrose,bmse000119,7,75.107,12.4
829,sucrose,bmse000119,8,73.7694,11.94
830,sucrose,bmse000119,9,71.9114,12.5
831,sucrose,bmse000119,10,65.0741,11.11
832,sucrose,bmse000119,11,64.0305,10.38
833,sucrose,bmse000119,12,62.8059,9.96
834,S_adenosyl_L_methionine,bmse000059,1,177.2049,1.06
835,S_adenosyl_L_methionine,bmse000059,2,175.5374,3.57
836,S_adenosyl_L_methionine,bmse000059,3,158.2573,4.07
837,S_adenosyl_L_methionine,bmse000059,4,158.1473,1.23
838,S_adenosyl_L_methionine,bmse000059,5,155.5574,8.68
839,S_adenosyl_L_methionine,bmse000059,6,155.4871,3.71
840,S_adenosyl_L_methionine,bmse000059,7,154.9459,1.28
841,S_adenosyl_L_methionine,bmse000059,8,151.4918,1.4
842,S_adenosyl_L_methionine,bmse000059,9,151.3094,4.84
843,S_adenosyl_L_methionine,bmse000059,10,143.3489,7.53
844,S_adenosyl_L_methionine,bmse000059,11,142.6447,2.96
845,S_adenosyl_L_methionine,bmse000059,12,121.7408,3.05
846,S_adenosyl_L_methionine,bmse000059,13,91.8,12.5
847,S_adenosyl_L_methionine,bmse000059,14,90.1262,1.08
848,S_adenosyl_L_methionine,bmse000059,15,90.0407,3.67
849,S_adenosyl_L_methionine,bmse000059,16,85.9474,3.7
850,S_adenosyl_L_methionine,bmse000059,17,81.4782,2.83
851,S_adenosyl_L_methionine,bmse000059,18,80.8642,9.06
852,S_adenosyl_L_methionine,bmse000059,19,76.1774,4.19
853,S_adenosyl_L_methionine,bmse000059,20,75.6933,3.46
854,S_adenosyl_L_methionine,bmse000059,21,75.4417,10.55
855,S_adenosyl_L_methionine,bmse000059,22,75.2896,11.21
856,S_adenosyl_L_methionine,bmse000059,23,75.2102,3.9
857,S_adenosyl_L_methionine,bmse000059,24,75.0576,4.66
858,S_adenosyl_L_methionine,bmse000059,25,61.3914,4.52
859,S_adenosyl_L_methionine,bmse000059,26,60.181,3.6
860,S_adenosyl_L_methionine,bmse000059,27,56.1328,4.11
861,S_adenosyl_L_methionine,bmse000059,28,55.5398,11.64
862,S_adenosyl_L_methionine,bmse000059,29,55.4732,3.85
863,S_adenosyl_L_methionine,bmse000059,30,51.6245,1.02
864,S_adenosyl_L_methionine,bmse000059,31,47.0027,7.3
865,S_adenosyl_L_methionine,bmse000059,32,41.6503,2.53
866,S_adenosyl_L_methionine,bmse000059,33,41.5608,8
867,S_adenosyl_L_methionine,bmse000059,34,39.296,1.04
868,S_adenosyl_L_methionine,bmse000059,35,38.5747,3.27
869,S_adenosyl_L_methionine,bmse000059,36,34.9032,4.07
870,S_adenosyl_L_methionine,bmse000059,37,28.138,8.12
871,S_adenosyl_L_methionine,bmse000059,38,27.9802,2.58
872,S_adenosyl_L_methionine,bmse000059,39,26.5384,1.05
873,S_adenosyl_L_methionine,bmse000059,40,26.4688,3.89
874,S_adenosyl_L_methionine,bmse000059,41,26.1398,11.37
875,S_adenosyl_L_methionine,bmse000059,42,19.5416,3.82
876,S_adenosyl_L_methionine,bmse000059,43,18.0425,2.93
877,taurine,bmse000120,1,50.2124,12.5
878,taurine,bmse000120,2,38.0682,11.7
879,L_threitol,bmse000121,1,74.3047,12.5
880,L_threitol,bmse000121,2,65.3263,12.42
881,trans_4_hydroxy_L_proline,bmse000123,1,177.0263,1.29
882,trans_4_hydroxy_L_proline,bmse000123,2,72.7686,12.34
883,trans_4_hydroxy_L_proline,bmse000123,3,62.5265,8.41
884,trans_4_hydroxy_L_proline,bmse000123,4,55.643,12.5
885,trans_4_hydroxy_L_proline,bmse000123,5,40.1298,9.82
886,trans_cinnamic_acid,bmse000124,1,143.5556,4.31
887,trans_cinnamic_acid,bmse000124,2,137.8775,1.34
888,trans_cinnamic_acid,bmse000124,3,132.3324,6.15
889,trans_cinnamic_acid,bmse000124,4,131.6902,9.94
890,trans_cinnamic_acid,bmse000124,5,130.4135,12.5
891,trans_cinnamic_acid,bmse000124,6,126.8267,3.92
892,D_trehalose,bmse000125,1,95.9171,12.5
893,D_trehalose,bmse000125,2,75.2081,11.88
894,D_trehalose,bmse000125,3,74.8491,10.1
895,D_trehalose,bmse000125,4,73.7422,9.97
896,D_trehalose,bmse000125,5,72.3894,11.58
897,D_trehalose,bmse000125,6,63.2132,8.55
898,uric_acid,bmse000126,1,167.6653,6.04
899,uric_acid,bmse000126,2,165.3393,12.5
900,uric_acid,bmse000126,3,162.2146,6.72
901,uric_acid,bmse000126,4,156.4958,8.87
902,uric_acid,bmse000126,5,104.5779,6.55
903,xanthine,bmse000127,1,163.3303,1.9
904,xanthine,bmse000127,2,161.9958,1.23
905,xanthine,bmse000127,3,158.0123,1.54
906,xanthine,bmse000127,4,142.7225,12.5
907,xanthine,bmse000127,5,116.2503,1.15
908,xanthosine,bmse000128,1,163.7475,1.41
909,xanthosine,bmse000128,2,162.2764,1.3
910,xanthosine,bmse000128,3,155.8547,2.56
911,xanthosine,bmse000128,4,140.0607,9.27
912,xanthosine,bmse000128,5,118.2068,1.28
913,xanthosine,bmse000128,6,90.6608,11.73
914,xanthosine,bmse000128,7,88.5324,12.41
915,xanthosine,bmse000128,8,75.9737,12.5
916,xanthosine,bmse000128,9,73.5577,11.03
917,xanthosine,bmse000128,10,64.3556,8.81
918,xylitol,bmse000129,1,74.6275,11.33
919,xylitol,bmse000129,2,73.4743,6.7
920,xylitol,bmse000129,3,65.3143,12.5
921,tyramine,bmse000243,1,157.2984,1.41
922,tyramine,bmse000243,2,132.9956,12.5
923,tyramine,bmse000243,3,131.1649,2.03
924,tyramine,bmse000243,4,118.5125,12.18
925,tyramine,bmse000243,5,43.4518,5.34
926,tyramine,bmse000243,6,34.6329,6.06
927,L_carnosine,bmse000246,1,180.2008,3.84
928,L_carnosine,bmse000246,2,174.3323,4.86
929,L_carnosine,bmse000246,3,137.5197,9.53
930,L_carnosine,bmse000246,4,134.6631,4.69
931,L_carnosine,bmse000246,5,119.8491,10.48
932,L_carnosine,bmse000246,6,57.5784,11.65
933,L_carnosine,bmse000246,7,38.3703,11.44
934,L_carnosine,bmse000246,8,34.7671,12.5
935,L_carnosine,bmse000246,9,30.9947,9.98
936,glycolate,bmse000245,1,182.6562,5.25
937,glycolate,bmse000245,2,63.9098,12.5
938,1_3_dimethylurea,bmse000248,1,29.1399,12.5
939,D_glucosamine,bmse000247,1,96.7337,8.51
940,D_glucosamine,bmse000247,2,92.4167,12.41
941,D_glucosamine,bmse000247,3,78.843,9.89
942,D_glucosamine,bmse000247,4,75.8685,8.3
943,D_glucosamine,bmse000247,5,74.3489,12.5
944,D_glucosamine,bmse000247,6,72.9419,11.22
945,D_glucosamine,bmse000247,7,72.4037,9.8
946,D_glucosamine,bmse000247,8,72.3301,12.04
947,D_glucosamine,bmse000247,9,63.2894,7.62
948,D_glucosamine,bmse000247,10,63.0782,11.08
949,D_glucosamine,bmse000247,11,59.6847,8.44
950,D_glucosamine,bmse000247,12,57.1428,11.73
951,isethionic_acid,bmse000242,1,59.6397,12.02
952,isethionic_acid,bmse000242,2,55.5295,12.5
953,N_N_dimethylglycine,bmse000241,1,62.5717,6.55
954,N_N_dimethylglycine,bmse000241,2,46.2286,12.5
955,dihydroxyacetone,bmse000144,1,214.7833,3.78
956,dihydroxyacetone,bmse000144,2,97.773,1.6
957,dihydroxyacetone,bmse000144,3,66.2429,12.5
958,N_acetyl_L_glutamine,bmse000145,1,181.3622,2.37
959,N_acetyl_L_glutamine,bmse000145,2,181.1277,3.44
960,N_acetyl_L_glutamine,bmse000145,3,176.3862,3.32
961,N_acetyl_L_glutamine,bmse000145,4,57.3658,12.5
962,N_acetyl_L_glutamine,bmse000145,5,34.4405,9.75
963,N_acetyl_L_glutamine,bmse000145,6,30.4549,10.18
964,N_acetyl_L_glutamine,bmse000145,7,24.6247,9.17
965,ADA,bmse000146,1,180.0279,1.66
966,ADA,bmse000146,2,60.0622,12.5
967,ADA,bmse000146,3,59.955,1.44
968,4_aminoantipyrine,bmse000147,1,144.7673,1.72
969,4_aminoantipyrine,bmse000147,2,135.763,1.74
970,4_aminoantipyrine,bmse000147,3,132.3952,12.5
971,4_aminoantipyrine,bmse000147,4,131.8174,5.85
972,4_aminoantipyrine,bmse000147,5,129.3212,12.35
973,4_aminoantipyrine,bmse000147,6,37.2322,4.81
974,4_aminoantipyrine,bmse000147,7,11.7408,4.42
975,acetylcarnitine,bmse000142,1,179.354,4.03
976,acetylcarnitine,bmse000142,2,175.4615,4.06
977,acetylcarnitine,bmse000142,3,70.835,4.53
978,acetylcarnitine,bmse000142,4,69.5734,12.5
979,acetylcarnitine,bmse000142,5,56.5103,12.2
980,acetylcarnitine,bmse000142,6,42.9071,9.73
981,acetylcarnitine,bmse000142,7,23.3168,9.11
982,5_acetylamido_2_chloroaniline,bmse000143,1,139.2064,3.06
983,5_acetylamido_2_chloroaniline,bmse000143,2,132.3826,12.5
984,5_acetylamido_2_chloroaniline,bmse000143,3,116.2078,11.5
985,5_acetylamido_2_chloroaniline,bmse000143,4,112.9825,11.85
986,5_acetylamido_2_chloroaniline,bmse000143,5,25.522,8.76
987,uracil,bmse000187,1,170.2202,1.35
988,uracil,bmse000187,2,146.2032,10.52
989,uracil,bmse000187,3,103.7407,12.5
990,cytidine,bmse000190,1,168.8862,2.92
991,cytidine,bmse000190,2,160.3399,2.39
992,cytidine,bmse000190,3,144.3268,8.93
993,cytidine,bmse000190,4,98.9421,9.02
994,cytidine,bmse000190,5,92.9764,11.59
995,cytidine,bmse000190,6,86.4726,11.93
996,cytidine,bmse000190,7,76.6665,12.26
997,cytidine,bmse000190,8,71.9801,12.5
998,cytidine,bmse000190,9,63.4255,9.89
999,propionic_acid,bmse000179,1,187.7472,2.27
1000,propionic_acid,bmse000179,2,33.4143,12.5
1001,propionic_acid,bmse000179,3,12.8911,11.53
1002,cytosine,bmse000180,1,170.1095,1.09
1003,cytosine,bmse000180,2,145.8461,10.28
1004,cytosine,bmse000180,3,97.8181,12.5
1005,3_hydroxybutyrate,bmse000161,1,183.1934,2.18
1006,3_hydroxybutyrate,bmse000161,2,68.3994,9.53
1007,3_hydroxybutyrate,bmse000161,3,49.2195,12.5
1008,3_hydroxybutyrate,bmse000161,4,24.4317,11.28
1009,sarcosine,bmse000160,1,174.1787,1.69
1010,sarcosine,bmse000160,2,53.5151,12.5
1011,sarcosine,bmse000160,3,35.3495,10.56
1012,beta_alanine,bmse000159,1,181.1398,1.61
1013,beta_alanine,bmse000159,2,39.2339,9.51
1014,beta_alanine,bmse000159,3,36.2855,12.5
1015,uridine,bmse000158,1,169.0394,2.54
1016,uridine,bmse000158,2,154.4569,2.08
1017,uridine,bmse000158,3,144.529,8.58
1018,uridine,bmse000158,4,104.9743,9.81
1019,uridine,bmse000158,5,92.0363,11.1
1020,uridine,bmse000158,6,86.9005,11.88
1021,uridine,bmse000158,7,76.3651,11.81
1022,uridine,bmse000158,8,72.0985,12.5
1023,uridine,bmse000158,9,63.4211,9.74
1024,N_acetyl_L_alanine,bmse000157,1,183.142,2.18
1025,N_acetyl_L_alanine,bmse000157,2,176.0277,2.41
1026,N_acetyl_L_alanine,bmse000157,3,53.6895,12.5
1027,N_acetyl_L_alanine,bmse000157,4,24.5618,8.98
1028,N_acetyl_L_alanine,bmse000157,5,20.0042,11.11
1029,trimethyl_phosphonoacetate,bmse000156,1,56.6257,8.02
1030,trimethyl_phosphonoacetate,bmse000156,2,56.5607,8.02
1031,trimethyl_phosphonoacetate,bmse000156,3,55.9903,12.5
1032,creatinine,bmse000155,1,191.713,2.26
1033,creatinine,bmse000155,2,59.1239,12.5
1034,creatinine,bmse000155,3,58.8527,2.53
1035,creatinine,bmse000155,4,58.6295,1.96
1036,creatinine,bmse000155,5,32.9001,9.73
1037,4_2_aminoethyl_morpholine,bmse000154,1,68.8872,12.21
1038,4_2_aminoethyl_morpholine,bmse000154,2,56.9694,6.45
1039,4_2_aminoethyl_morpholine,bmse000154,3,55.1945,12.5
1040,4_2_aminoethyl_morpholine,bmse000154,4,38.3707,5.31
1041,L_methionine_methylsulfonium_iodide,bmse000153,1,176.1278,2.46
1042,L_methionine_methylsulfonium_iodide,bmse000153,2,55.6328,12.37
1043,L_methionine_methylsulfonium_iodide,bmse000153,3,42.2714,10.53
1044,L_methionine_methylsulfonium_iodide,bmse000153,4,28.1127,10.06
1045,L_methionine_methylsulfonium_iodide,bmse000153,5,27.4753,11.87
1046,L_methionine_methylsulfonium_iodide,bmse000153,6,27.4428,12.5
1047,trigonelline,bmse000152,1,170.5429,1.63
1048,trigonelline,bmse000152,2,148.7294,3.53
1049,trigonelline,bmse000152,3,148.5432,3.12
1050,trigonelline,bmse000152,4,147.4509,9.81
1051,trigonelline,bmse000152,5,139.591,3.58
1052,trigonelline,bmse000152,6,130.3808,12.5
1053,trigonelline,bmse000152,7,50.9868,3.8
1054,L_kynurenine,bmse000172,1,202.7838,4.18
1055,L_kynurenine,bmse000172,2,176.9655,3.82
1056,L_kynurenine,bmse000172,3,153.0281,3.8
1057,L_kynurenine,bmse000172,4,138.3201,10.63
1058,L_kynurenine,bmse000172,5,134.0077,10.47
1059,L_kynurenine,bmse000172,6,120.7487,12.5
1060,L_kynurenine,bmse000172,7,120.1347,3.19
1061,L_kynurenine,bmse000172,8,119.5469,11.71
1062,L_kynurenine,bmse000172,9,53.4373,9.6
1063,L_kynurenine,bmse000172,10,53.3893,1.75
1064,L_kynurenine,bmse000172,11,41.6724,9.4
1065,4_hydroxyphenethyl_alcohol,bmse000173,1,156.5231,1.3
1066,4_hydroxyphenethyl_alcohol,bmse000173,2,133.6531,2.03
1067,4_hydroxyphenethyl_alcohol,bmse000173,3,133.0108,12.05
1068,4_hydroxyphenethyl_alcohol,bmse000173,4,118.0973,12.5
1069,4_hydroxyphenethyl_alcohol,bmse000173,5,65.4628,5.4
1070,4_hydroxyphenethyl_alcohol,bmse000173,6,39.6054,5.27
1071,L_glutathione_oxidized,bmse000170,1,179.0431,5.08
1072,L_glutathione_oxidized,bmse000170,2,177.7295,7.27
1073,L_glutathione_oxidized,bmse000170,3,176.8436,5.71
1074,L_glutathione_oxidized,bmse000170,4,174.576,7.14
1075,L_glutathione_oxidized,bmse000170,5,56.7983,12.5
1076,L_glutathione_oxidized,bmse000170,6,55.2962,6.93
1077,L_glutathione_oxidized,bmse000170,7,46.1769,10
1078,L_glutathione_oxidized,bmse000170,8,41.3939,5.3
1079,L_glutathione_oxidized,bmse000170,9,34.0976,8.71
1080,L_glutathione_oxidized,bmse000170,10,28.9834,9.22
1081,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,1,137.9087,2.24
1082,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,2,137.8673,2.37
1083,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,3,131.376,12.5
1084,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,4,131.3613,12.49
1085,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,5,130.699,5.71
1086,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,6,130.6797,5.71
1087,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,7,130.3647,10.88
1088,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,8,130.3201,11.19
1089,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,9,58.3213,5.52
1090,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,10,57.0571,5.41
1091,2_amino_5_ethyl_1_3_4_thiadiazole,bmse000176,1,168.4472,1.23
1092,2_amino_5_ethyl_1_3_4_thiadiazole,bmse000176,2,25.8692,12.5
1093,2_amino_5_ethyl_1_3_4_thiadiazole,bmse000176,3,15.8228,11.49
1094,indole_3_acetic_acid,bmse000177,1,184.4014,2.14
1095,indole_3_acetic_acid,bmse000177,2,138.8639,1.78
1096,indole_3_acetic_acid,bmse000177,3,129.8341,1.84
1097,indole_3_acetic_acid,bmse000177,4,126.7302,9.37
1098,indole_3_acetic_acid,bmse000177,5,124.4124,12.5
1099,indole_3_acetic_acid,bmse000177,6,121.7961,11.6
1100,indole_3_acetic_acid,bmse000177,7,121.3961,11.96
1101,indole_3_acetic_acid,bmse000177,8,114.4077,11.75
1102,indole_3_acetic_acid,bmse000177,9,113.0393,2.26
1103,indole_3_acetic_acid,bmse000177,10,36.6627,11.8
1104,5_acetylamino_2_nitrobenzoic_acid,bmse000174,1,177.1121,2.86
1105,5_acetylamino_2_nitrobenzoic_acid,bmse000174,2,175.8429,2.97
1106,5_acetylamino_2_nitrobenzoic_acid,bmse000174,3,146.1205,4.91
1107,5_acetylamino_2_nitrobenzoic_acid,bmse000174,4,142.1751,2.25
1108,5_acetylamino_2_nitrobenzoic_acid,bmse000174,5,140.3992,5.19
1109,5_acetylamino_2_nitrobenzoic_acid,bmse000174,6,135.1671,1.17
1886,NADP,bmse000263,14,89.7336,5.64
1110,5_acetylamino_2_nitrobenzoic_acid,bmse000174,7,128.5755,12.5
1111,5_acetylamino_2_nitrobenzoic_acid,bmse000174,8,122.2003,7.85
1112,5_acetylamino_2_nitrobenzoic_acid,bmse000174,9,120.5307,8.5
1113,5_acetylamino_2_nitrobenzoic_acid,bmse000174,10,26.0734,7.9
1114,inosine_5_monophosphate,bmse000175,1,161.425,3.75
1115,inosine_5_monophosphate,bmse000175,2,151.4802,4.81
1116,inosine_5_monophosphate,bmse000175,3,149.0993,9.26
1117,inosine_5_monophosphate,bmse000175,4,142.6513,8.28
1118,inosine_5_monophosphate,bmse000175,5,126.224,3.55
1119,inosine_5_monophosphate,bmse000175,6,90.0513,11.57
1120,inosine_5_monophosphate,bmse000175,7,87.5897,6.17
1121,inosine_5_monophosphate,bmse000175,8,87.5029,6.25
1122,inosine_5_monophosphate,bmse000175,9,77.4723,12.43
1123,inosine_5_monophosphate,bmse000175,10,73.3415,12.5
1124,inosine_5_monophosphate,bmse000175,11,66.1817,4.69
1125,inosine_5_monophosphate,bmse000175,12,66.1371,4.9
1126,acetylcholine,bmse000168,1,175.9351,1.7
1127,acetylcholine,bmse000168,2,67.2352,3.17
1128,acetylcholine,bmse000168,3,67.2022,3.69
1129,acetylcholine,bmse000168,4,67.1693,3.21
1130,acetylcholine,bmse000168,5,61.0489,9.91
1131,acetylcholine,bmse000168,6,56.5037,10.75
1132,acetylcholine,bmse000168,7,56.4653,12.5
1133,acetylcholine,bmse000168,8,56.4269,11.09
1134,acetylcholine,bmse000168,9,22.907,5.01
1135,L_selenomethionine,bmse000169,1,177.0007,2.6
1136,L_selenomethionine,bmse000169,2,57.4374,11.47
1137,L_selenomethionine,bmse000169,3,33.6291,11.68
1138,L_selenomethionine,bmse000169,4,21.9577,12.5
1139,L_selenomethionine,bmse000169,5,5.9908,6.84
1140,L_carnitine,bmse000211,1,180.7932,2.55
1141,L_carnitine,bmse000211,2,72.8484,3.55
1142,L_carnitine,bmse000211,3,72.8194,4.35
1143,L_carnitine,bmse000211,4,72.7905,3.77
1144,L_carnitine,bmse000211,5,66.787,9.83
1145,L_carnitine,bmse000211,6,56.8352,10.16
1146,L_carnitine,bmse000211,7,56.7971,12.5
1147,L_carnitine,bmse000211,8,56.7587,10.72
1148,L_carnitine,bmse000211,9,45.6836,6.68
1149,2_deoxyguanosine_5_triphosphate,bmse000210,1,161.5994,4.1
1150,2_deoxyguanosine_5_triphosphate,bmse000210,2,156.5483,6.62
1151,2_deoxyguanosine_5_triphosphate,bmse000210,3,153.9201,3.76
1152,2_deoxyguanosine_5_triphosphate,bmse000210,4,140.177,4.97
1153,2_deoxyguanosine_5_triphosphate,bmse000210,5,118.7094,3.56
1154,2_deoxyguanosine_5_triphosphate,bmse000210,6,88.3356,4.95
1155,2_deoxyguanosine_5_triphosphate,bmse000210,7,88.2497,5.03
1156,2_deoxyguanosine_5_triphosphate,bmse000210,8,86.1217,10.42
1157,2_deoxyguanosine_5_triphosphate,bmse000210,9,85.9663,1.24
1158,2_deoxyguanosine_5_triphosphate,bmse000210,10,73.5912,12.5
1159,2_deoxyguanosine_5_triphosphate,bmse000210,11,73.4257,1.36
1160,2_deoxyguanosine_5_triphosphate,bmse000210,12,68.0836,4.3
1161,2_deoxyguanosine_5_triphosphate,bmse000210,13,68.0298,4.01
1162,2_deoxyguanosine_5_triphosphate,bmse000210,14,60.1564,2.92
1163,2_deoxyguanosine_5_triphosphate,bmse000210,15,41.4696,9.7
1164,2_deoxyguanosine_5_triphosphate,bmse000210,16,19.5226,3.19
1165,L_glutathione_reduced,bmse000185,1,179.0844,3.34
1166,L_glutathione_reduced,bmse000185,2,177.7381,6.24
1167,L_glutathione_reduced,bmse000185,3,176.8762,4.09
1168,L_glutathione_reduced,bmse000185,4,174.517,4.49
1169,L_glutathione_reduced,bmse000185,5,58.485,9.28
1170,L_glutathione_reduced,bmse000185,6,56.8252,12.5
1171,L_glutathione_reduced,bmse000185,7,46.0594,11.98
1172,L_glutathione_reduced,bmse000185,8,34.0617,10.25
1173,L_glutathione_reduced,bmse000185,9,28.9279,10.05
1174,L_glutathione_reduced,bmse000185,10,28.2991,8.79
1175,L-ascorbate,bmse000182,1,180.3168,1.43
1176,L-ascorbate,bmse000182,2,178.4832,2.74
1177,L-ascorbate,bmse000182,3,115.802,1.21
1178,L-ascorbate,bmse000182,4,81.1004,12.5
1179,L-ascorbate,bmse000182,5,72.2534,11.82
1180,L-ascorbate,bmse000182,6,65.2522,10.99
1181,glycerol,bmse000184,1,74.7687,5.34
1182,glycerol,bmse000184,2,65.1855,12.5
1183,succinic_acid,bmse000183,1,185.1723,12.5
1184,diethyl_oxalacetate,bmse000148,1,175.4103,2.81
1185,diethyl_oxalacetate,bmse000148,2,174.3091,2.64
1186,diethyl_oxalacetate,bmse000148,3,173.4326,3.11
1187,diethyl_oxalacetate,bmse000148,4,168.1048,3.57
1188,diethyl_oxalacetate,bmse000148,5,163.0751,2.84
1189,diethyl_oxalacetate,bmse000148,6,107.9727,2.93
1190,diethyl_oxalacetate,bmse000148,7,66.4032,12.5
1191,diethyl_oxalacetate,bmse000148,8,64.8073,11.65
1192,diethyl_oxalacetate,bmse000148,9,63.2252,12.35
1193,diethyl_oxalacetate,bmse000148,10,60.1425,6.53
1194,diethyl_oxalacetate,bmse000148,11,19.5054,7.69
1195,diethyl_oxalacetate,bmse000148,12,16.4349,10.31
1196,diethyl_oxalacetate,bmse000148,13,16.0264,10.85
1197,diethyl_oxalacetate,bmse000148,14,15.8307,11.05
1198,diethyl_oxalacetate,bmse000148,15,8.3719,1.46
1199,methyl_4_aminobutyrate,bmse000249,1,178.332,2.3
1200,methyl_4_aminobutyrate,bmse000249,2,55.0318,9.91
1201,methyl_4_aminobutyrate,bmse000249,3,41.3931,9.31
1202,methyl_4_aminobutyrate,bmse000249,4,33.2371,12.5
1203,methyl_4_aminobutyrate,bmse000249,5,24.7364,10.01
1204,acetic_acid,bmse000191,1,25.9921,12.5
1205,DL_alpha_glycerol_phosphate,bmse000193,1,74.017,6.6
1206,DL_alpha_glycerol_phosphate,bmse000193,2,73.9509,6.61
1207,DL_alpha_glycerol_phosphate,bmse000193,3,67.5764,6.42
1208,DL_alpha_glycerol_phosphate,bmse000193,4,67.5279,6.33
1209,DL_alpha_glycerol_phosphate,bmse000193,5,64.9909,12.5
1210,L_arginine_L_glutamate,bmse000194,1,184.0271,2.62
1211,L_arginine_L_glutamate,bmse000194,2,177.3004,2.69
1212,L_arginine_L_glutamate,bmse000194,3,177.2486,3.51
1213,L_arginine_L_glutamate,bmse000194,4,159.5217,1.58
1214,L_arginine_L_glutamate,bmse000194,5,57.3276,11.34
1215,L_arginine_L_glutamate,bmse000194,6,56.9877,12.33
1216,L_arginine_L_glutamate,bmse000194,7,43.187,10.69
1217,L_arginine_L_glutamate,bmse000194,8,36.1773,12.5
1218,L_arginine_L_glutamate,bmse000194,9,30.2821,11.31
1219,L_arginine_L_glutamate,bmse000194,10,29.6813,11.66
1220,L_arginine_L_glutamate,bmse000194,11,26.565,9.36
1221,N_alpha_acetyl_DL_ornithine,bmse000195,1,181.278,2.84
1222,N_alpha_acetyl_DL_ornithine,bmse000195,2,176.3942,3.3
1223,N_alpha_acetyl_DL_ornithine,bmse000195,3,57.2647,12.5
1224,N_alpha_acetyl_DL_ornithine,bmse000195,4,41.7026,11.36
1225,N_alpha_acetyl_DL_ornithine,bmse000195,5,31.2562,11.58
1226,N_alpha_acetyl_DL_ornithine,bmse000195,6,26.1175,10.85
1227,N_alpha_acetyl_DL_ornithine,bmse000195,7,24.6039,9.43
1228,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,1,177.1802,4.22
1229,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,2,100.7816,12.14
1230,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,3,74.3693,12.5
1231,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,4,73.8173,11.87
1232,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,5,72.6604,11.86
1233,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,6,63.2442,9.78
1234,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,7,57.84,10.7
1235,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,8,56.3295,11.36
1236,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,9,24.5939,9.03
1237,N_acetyl_D_glucosamine_1_phosphate,bmse000197,1,177.4262,6.89
1238,N_acetyl_D_glucosamine_1_phosphate,bmse000197,2,95.5064,6.59
1239,N_acetyl_D_glucosamine_1_phosphate,bmse000197,3,95.4519,6.61
1240,N_acetyl_D_glucosamine_1_phosphate,bmse000197,4,74.8112,12.48
1241,N_acetyl_D_glucosamine_1_phosphate,bmse000197,5,74.1248,11.53
1242,N_acetyl_D_glucosamine_1_phosphate,bmse000197,6,72.717,12.5
1243,N_acetyl_D_glucosamine_1_phosphate,bmse000197,7,63.3991,10.48
1244,N_acetyl_D_glucosamine_1_phosphate,bmse000197,8,60.1385,1.19
1245,N_acetyl_D_glucosamine_1_phosphate,bmse000197,9,56.8941,6.31
1246,N_acetyl_D_glucosamine_1_phosphate,bmse000197,10,56.82,5.92
1247,N_acetyl_D_glucosamine_1_phosphate,bmse000197,11,24.8547,11.82
1248,N_acetyl_D_glucosamine_1_phosphate,bmse000197,12,19.5064,1.35
1249,6_phosphogluconic_acid,bmse000198,1,181.6058,3.57
1250,6_phosphogluconic_acid,bmse000198,2,76.871,10.24
1251,6_phosphogluconic_acid,bmse000198,3,74.5728,12.34
1252,6_phosphogluconic_acid,bmse000198,4,73.5923,12.5
1253,6_phosphogluconic_acid,bmse000198,5,73.3427,6.13
1254,6_phosphogluconic_acid,bmse000198,6,73.2817,6
1255,6_phosphogluconic_acid,bmse000198,7,67.8378,5.3
1256,6_phosphogluconic_acid,bmse000198,8,67.7897,5.02
1257,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,1,177.4856,7.09
1258,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,2,169.018,6.26
1259,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,3,154.5678,4.71
1260,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,4,144.3458,8.41
1261,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,5,105.3664,9.76
1262,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,6,97.2217,5.52
1263,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,7,97.1586,5.3
1264,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,8,91.2324,10.4
1265,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,9,85.9265,5.45
1266,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,10,85.8356,5.37
1267,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,11,76.5038,12.5
1268,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,12,75.7265,10.47
1269,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,13,73.618,9.4
1270,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,14,72.3363,12.03
1271,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,15,72.1894,10.68
1272,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,16,67.7104,4.06
1273,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,17,67.6547,4.21
1274,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,18,63.011,8.29
1275,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,19,56.4123,4.85
1276,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,20,56.3279,4.86
1277,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,21,24.8017,11.06
1278,D_glucosamine_6_phosphate,bmse000189,1,96.7641,3.96
1279,D_glucosamine_6_phosphate,bmse000189,2,92.5468,9.11
1280,D_glucosamine_6_phosphate,bmse000189,3,78.573,7.72
1281,D_glucosamine_6_phosphate,bmse000189,4,78.5029,8.09
1282,D_glucosamine_6_phosphate,bmse000189,5,75.3,3.82
1283,D_glucosamine_6_phosphate,bmse000189,6,74.241,8.9
1284,D_glucosamine_6_phosphate,bmse000189,7,74.1735,8.79
1285,D_glucosamine_6_phosphate,bmse000189,8,72.61,7.6
1286,D_glucosamine_6_phosphate,bmse000189,9,72.216,8.01
1287,D_glucosamine_6_phosphate,bmse000189,10,72.0861,11.81
1288,D_glucosamine_6_phosphate,bmse000189,11,65.6945,5.67
1289,D_glucosamine_6_phosphate,bmse000189,12,65.5318,8.2
1290,D_glucosamine_6_phosphate,bmse000189,13,59.9922,8.37
1291,D_glucosamine_6_phosphate,bmse000189,14,57.442,12.5
1292,N_acetyl_D_glucosamine_6_phosphate,bmse000205,1,177.6459,3.99
1293,N_acetyl_D_glucosamine_6_phosphate,bmse000205,2,177.3558,6.21
1294,N_acetyl_D_glucosamine_6_phosphate,bmse000205,3,97.9785,9.64
1295,N_acetyl_D_glucosamine_6_phosphate,bmse000205,4,93.8355,12.5
1296,N_acetyl_D_glucosamine_6_phosphate,bmse000205,5,78.3788,4.55
1297,N_acetyl_D_glucosamine_6_phosphate,bmse000205,6,78.3082,5
1298,N_acetyl_D_glucosamine_6_phosphate,bmse000205,7,76.3335,8.77
1299,N_acetyl_D_glucosamine_6_phosphate,bmse000205,8,74.1312,5.77
1300,N_acetyl_D_glucosamine_6_phosphate,bmse000205,9,74.0636,5.71
1301,N_acetyl_D_glucosamine_6_phosphate,bmse000205,10,73.273,9.62
1302,N_acetyl_D_glucosamine_6_phosphate,bmse000205,11,72.5985,6.43
1303,N_acetyl_D_glucosamine_6_phosphate,bmse000205,12,72.4066,4.3
1304,N_acetyl_D_glucosamine_6_phosphate,bmse000205,13,65.8183,6.34
1305,N_acetyl_D_glucosamine_6_phosphate,bmse000205,14,59.7314,6.92
1306,N_acetyl_D_glucosamine_6_phosphate,bmse000205,15,57.09,11.32
1307,N_acetyl_D_glucosamine_6_phosphate,bmse000205,16,25.09,7.17
1308,N_acetyl_D_glucosamine_6_phosphate,bmse000205,17,24.8284,8.82
1309,N_acetyl_D_glucosamine_6_phosphate,bmse000205,18,24.6366,2.13
1310,N_acetyl_D_glucosamine_6_phosphate,bmse000205,19,8.3826,2.3
1311,formate,bmse000203,1,173.8915,12.5
1312,HEPES,bmse000202,1,60.8048,5.44
1313,HEPES,bmse000202,2,58.5772,7.51
1314,HEPES,bmse000202,3,54.5149,8.11
1315,HEPES,bmse000202,4,54.0844,12.5
1316,HEPES,bmse000202,5,52.383,11.07
1317,HEPES,bmse000202,6,50.0053,7.83
1318,D_citrulline,bmse000209,1,177.3935,5.6
1319,D_citrulline,bmse000209,2,164.2858,1.35
1320,D_citrulline,bmse000209,3,57.1942,10.87
1321,D_citrulline,bmse000209,4,41.9172,1.9
1322,D_citrulline,bmse000209,5,30.442,12.5
1323,D_citrulline,bmse000209,6,27.6603,6.22
1324,tryptamine,bmse000207,1,139.1467,1.96
1325,tryptamine,bmse000207,2,129.1548,2.05
1326,tryptamine,bmse000207,3,127.0515,9.42
1327,tryptamine,bmse000207,4,124.8771,12.23
1328,tryptamine,bmse000207,5,122.1292,11.7
1329,tryptamine,bmse000207,6,121.0332,11.62
1330,tryptamine,bmse000207,7,114.7782,11.66
1331,tryptamine,bmse000207,8,111.7871,2.5
1332,tryptamine,bmse000207,9,42.4461,10.28
1333,tryptamine,bmse000207,10,25.3872,12.5
1334,caffeine,bmse000206,1,158.3677,2.3
1335,caffeine,bmse000206,2,154.8444,2.1
1336,caffeine,bmse000206,3,150.6943,2.53
1337,caffeine,bmse000206,4,146.1726,12.5
1338,caffeine,bmse000206,5,109.992,1.93
1339,caffeine,bmse000206,6,36.1671,12
1340,caffeine,bmse000206,7,32.5176,11.72
1341,caffeine,bmse000206,8,30.6092,12.15
1342,DL_serine,bmse000222,1,175.1858,1.49
1343,DL_serine,bmse000222,2,62.8818,12.5
1344,DL_serine,bmse000222,3,59.0696,9.18
1345,kanamycin,bmse000201,1,103.0882,11.25
1346,kanamycin,bmse000201,2,99.3708,11.19
1347,kanamycin,bmse000201,3,87.4547,11.03
1348,kanamycin,bmse000201,4,82.3518,10.12
1349,kanamycin,bmse000201,5,76.1335,11.05
1350,kanamycin,bmse000201,6,75.2746,11.27
1351,kanamycin,bmse000201,7,74.8051,11.96
1352,kanamycin,bmse000201,8,73.8216,11.92
1353,kanamycin,bmse000201,9,73.7132,12.5
1354,kanamycin,bmse000201,10,71.3274,11.8
1355,kanamycin,bmse000201,11,71.2135,10.89
1356,kanamycin,bmse000201,12,68.4669,11.25
1357,kanamycin,bmse000201,13,62.5738,8.79
1358,kanamycin,bmse000201,14,57.6876,10.31
1359,kanamycin,bmse000201,15,52.8142,10.87
1360,kanamycin,bmse000201,16,50.8624,10.67
1361,kanamycin,bmse000201,17,43.1772,9.79
1362,kanamycin,bmse000201,18,32.4006,6.43
1363,D_galacturonic_acid,bmse000216,1,178.7328,1.92
1364,D_galacturonic_acid,bmse000216,2,177.8683,2.95
1365,D_galacturonic_acid,bmse000216,3,103.6266,1.14
1366,D_galacturonic_acid,bmse000216,4,98.6973,11.64
1367,D_galacturonic_acid,bmse000216,5,94.8821,8.1
1368,D_galacturonic_acid,bmse000216,6,86.1096,1.16
1369,D_galacturonic_acid,bmse000216,7,83.8927,1.25
1370,D_galacturonic_acid,bmse000216,8,78.2191,12.5
1371,D_galacturonic_acid,bmse000216,9,75.5921,12.15
1372,D_galacturonic_acid,bmse000216,10,74.2733,11.54
1373,D_galacturonic_acid,bmse000216,11,74.0687,8.3
1374,D_galacturonic_acid,bmse000216,12,73.5175,7.92
1375,D_galacturonic_acid,bmse000216,13,73.4128,1.2
1376,D_galacturonic_acid,bmse000216,14,73.0403,11.9
1377,D_galacturonic_acid,bmse000216,15,72.0425,8.11
1378,D_galacturonic_acid,bmse000216,16,70.7295,8.19
1379,melibiose,bmse000215,1,100.9074,4.94
1380,melibiose,bmse000215,2,100.8624,8.18
1381,melibiose,bmse000215,3,98.7735,7.77
1382,melibiose,bmse000215,4,94.8936,4.8
1383,melibiose,bmse000215,5,78.5818,7.92
1384,melibiose,bmse000215,6,77.0481,7.86
1385,melibiose,bmse000215,7,76.7432,7.91
1386,melibiose,bmse000215,8,75.641,4.51
1387,melibiose,bmse000215,9,74.115,4.66
1388,melibiose,bmse000215,10,73.6521,8.63
1389,melibiose,bmse000215,11,72.7897,4.38
1390,melibiose,bmse000215,12,72.2675,4.58
1391,melibiose,bmse000215,13,72.1681,11.13
1392,melibiose,bmse000215,14,72.1168,8.41
1393,melibiose,bmse000215,15,71.8969,12.5
1394,melibiose,bmse000215,16,71.1809,5.01
1395,melibiose,bmse000215,17,71.1499,8
1396,melibiose,bmse000215,18,68.5997,3.4
1397,melibiose,bmse000215,19,68.5048,5.74
1398,melibiose,bmse000215,20,63.7993,7.48
1399,raffinose,bmse000221,1,106.4984,12
1400,raffinose,bmse000221,2,101.1619,11.75
1401,raffinose,bmse000221,3,94.8107,10.5
1402,raffinose,bmse000221,4,84.0386,10.37
1403,raffinose,bmse000221,5,78.9908,10.66
1404,raffinose,bmse000221,6,76.6708,10.74
1405,raffinose,bmse000221,7,75.3481,10.62
1406,raffinose,bmse000221,8,74.0893,10.03
1407,raffinose,bmse000221,9,73.7298,10.76
1408,raffinose,bmse000221,10,73.6491,10.76
1409,raffinose,bmse000221,11,72.1375,11.45
1410,raffinose,bmse000221,12,72.0811,10.61
1411,raffinose,bmse000221,13,71.8977,12.5
1412,raffinose,bmse000221,14,71.1782,10.63
1413,raffinose,bmse000221,15,68.5609,7.4
1414,raffinose,bmse000221,16,65.174,9.27
1415,raffinose,bmse000221,17,64.0591,8.59
1416,raffinose,bmse000221,18,63.8064,10.78
1417,phenylacetic_acid,bmse000220,1,140.0132,1.48
1418,phenylacetic_acid,bmse000220,2,131.8678,12.4
1419,phenylacetic_acid,bmse000220,3,131.3739,12.5
1420,phenylacetic_acid,bmse000220,4,129.1624,7.27
1421,phenylacetic_acid,bmse000220,5,47.1763,7.68
1422,quinolinic_acid,bmse000219,1,151.0633,4.64
1423,quinolinic_acid,bmse000219,2,139.9295,12.5
1424,quinolinic_acid,bmse000219,3,134.2225,1.66
1425,quinolinic_acid,bmse000219,4,126.3609,1.43
1426,L_arabinose,bmse000213,1,99.4707,11.84
1427,L_arabinose,bmse000213,2,95.2773,6.36
1428,L_arabinose,bmse000213,3,85.6557,1.01
1429,L_arabinose,bmse000213,4,75.1558,12.46
1430,L_arabinose,bmse000213,5,74.5445,11.65
1431,L_arabinose,bmse000213,6,71.3975,5.23
1432,L_arabinose,bmse000213,7,71.291,6.33
1433,L_arabinose,bmse000213,8,71.19,12.5
1434,L_arabinose,bmse000213,9,71.1316,6.46
1435,L_arabinose,bmse000213,10,69.092,10.76
1436,L_arabinose,bmse000213,11,65.1629,5.63
1437,L_arabinose,bmse000213,12,63.7809,1.01
1438,maleic_acid,bmse000212,1,178.0156,12.5
1439,maleic_acid,bmse000212,2,138.0455,2.52
1440,trimethylamine,bmse000224,1,47.3627,12.5
1441,FAD,bmse000226,1,164.0687,6.03
1442,FAD,bmse000226,2,160.4644,6.44
1443,FAD,bmse000226,3,157.4008,5.27
1444,FAD,bmse000226,4,155.0401,6.79
1445,FAD,bmse000226,5,153.2024,6.31
1446,FAD,bmse000226,6,152.7018,4.88
1447,FAD,bmse000226,7,150.7506,8.42
1448,FAD,bmse000226,8,141.8033,9.25
1449,FAD,bmse000226,9,137.3022,7.38
1450,FAD,bmse000226,10,136.7199,6.9
1451,FAD,bmse000226,11,134.1126,5.24
1452,FAD,bmse000226,12,133.1145,6.31
1453,FAD,bmse000226,13,120.4006,4.97
1454,FAD,bmse000226,14,119.1392,5.98
1455,FAD,bmse000226,15,89.8286,8.42
1456,FAD,bmse000226,16,86.1706,4.9
1457,FAD,bmse000226,17,77.5902,9.53
1458,FAD,bmse000226,18,75.1902,7.63
1459,FAD,bmse000226,19,73.8874,4.74
1460,FAD,bmse000226,20,72.6742,9.77
1461,FAD,bmse000226,21,72.0204,7.14
1462,FAD,bmse000226,22,49.8304,4.6
1463,FAD,bmse000226,23,23.4503,12.23
1464,FAD,bmse000226,24,21.3064,12.5
1465,biotin,bmse000227,1,186.5202,3.08
1466,biotin,bmse000227,2,168.1155,1.31
1467,biotin,bmse000227,3,64.7083,11.47
1468,biotin,bmse000227,4,62.9655,10.94
1469,biotin,bmse000227,5,58.0656,12.5
1470,biotin,bmse000227,6,42.4481,10.02
1471,biotin,bmse000227,7,40.0331,11.31
1472,biotin,bmse000227,8,30.9897,10.73
1473,biotin,bmse000227,9,30.4007,10.87
1474,biotin,bmse000227,10,28.3888,11.03
1475,L_malic_acid,bmse000238,1,183.7653,2.22
1476,L_malic_acid,bmse000238,2,182.5621,2.11
1477,L_malic_acid,bmse000238,3,73.0565,11
1478,L_malic_acid,bmse000238,4,45.325,12.5
1479,DL_pipecolic_acid,bmse000237,1,177.3687,2.02
1480,DL_pipecolic_acid,bmse000237,2,61.7014,10.46
1481,DL_pipecolic_acid,bmse000237,3,46.3684,11.14
1482,DL_pipecolic_acid,bmse000237,4,29.2254,12.03
1483,DL_pipecolic_acid,bmse000237,5,24.5183,12.5
1484,DL_pipecolic_acid,bmse000237,6,24.2597,11.72
1485,alpha_naphthoic_acid,bmse000178,1,180.9525,1.22
1486,alpha_naphthoic_acid,bmse000178,2,140.3164,2.38
1487,alpha_naphthoic_acid,bmse000178,3,136.0023,3.43
1488,alpha_naphthoic_acid,bmse000178,4,131.8378,2.83
1887,NADP,bmse000263,15,89.2538,5.26
1489,alpha_naphthoic_acid,bmse000178,5,131.5775,11.93
1490,alpha_naphthoic_acid,bmse000178,6,130.9661,12.32
1491,alpha_naphthoic_acid,bmse000178,7,129.4469,11.78
1492,alpha_naphthoic_acid,bmse000178,8,128.9278,12.24
1493,alpha_naphthoic_acid,bmse000178,9,128.3008,11.2
1494,alpha_naphthoic_acid,bmse000178,10,128.1263,11.47
1495,alpha_naphthoic_acid,bmse000178,11,126.9179,12.5
1496,L_lactic_acid,bmse000208,1,185.2568,1.47
1497,L_lactic_acid,bmse000208,2,71.1986,10.31
1498,L_lactic_acid,bmse000208,3,22.7605,12.5
1499,thymidine,bmse000244,1,169.2606,1.96
1500,thymidine,bmse000244,2,154.4362,2.17
1501,thymidine,bmse000244,3,140.2111,10.41
1502,thymidine,bmse000244,4,114.1556,4.85
1503,thymidine,bmse000244,5,89.1962,12.5
1504,thymidine,bmse000244,6,87.7135,11.37
1505,thymidine,bmse000244,7,73.1301,12.1
1506,thymidine,bmse000244,8,63.8632,10.49
1507,thymidine,bmse000244,9,41.1957,10.46
1508,thymidine,bmse000244,10,14.2614,10.1
1509,citraconic_acid,bmse000199,1,182.5855,1.19
1510,citraconic_acid,bmse000199,2,177.0006,1.62
1511,citraconic_acid,bmse000199,3,150.7235,3.14
1512,citraconic_acid,bmse000199,4,122.9987,12.5
1513,citraconic_acid,bmse000199,5,23.083,10.26
1514,homogentisic_acid,bmse000200,1,183.4495,2.25
1515,homogentisic_acid,bmse000200,2,151.5798,3.49
1516,homogentisic_acid,bmse000200,3,150.3577,2.71
1517,homogentisic_acid,bmse000200,4,128.3103,4.07
1518,homogentisic_acid,bmse000200,5,120.3611,12.12
1519,homogentisic_acid,bmse000200,6,119.7948,12.5
1520,homogentisic_acid,bmse000200,7,117.1989,12.11
1521,homogentisic_acid,bmse000200,8,42.6626,11.69
1522,isonicotinic_acid,bmse000133,1,152.265,11.27
1523,isonicotinic_acid,bmse000133,2,143.3482,1.49
1524,isonicotinic_acid,bmse000133,3,124.3227,12.5
1525,homovanillic_acid,bmse000132,1,184.0342,2.31
1526,homovanillic_acid,bmse000132,2,149.9125,2.75
1527,homovanillic_acid,bmse000132,3,145.8277,2.64
1528,homovanillic_acid,bmse000132,4,132.7556,4.92
1529,homovanillic_acid,bmse000132,5,124.6363,12.01
1530,homovanillic_acid,bmse000132,6,118.1634,12.5
1531,homovanillic_acid,bmse000132,7,116.1596,11.86
1532,homovanillic_acid,bmse000132,8,58.5972,11.89
1533,homovanillic_acid,bmse000132,9,46.5865,11.75
1534,cyanuric_acid,bmse000135,1,158.7585,12.5
1535,ethacrynic_acid,bmse000134,1,202.3118,4.43
1536,ethacrynic_acid,bmse000134,2,177.9826,5
1537,ethacrynic_acid,bmse000134,3,158.7271,7.04
1538,ethacrynic_acid,bmse000134,4,152.4416,9.11
1539,ethacrynic_acid,bmse000134,5,134.6377,7.45
1540,ethacrynic_acid,bmse000134,6,134.3055,7.14
1541,ethacrynic_acid,bmse000134,7,133.1034,4.2
1542,ethacrynic_acid,bmse000134,8,130.6445,11.98
1543,ethacrynic_acid,bmse000134,9,124.6188,3.16
1544,ethacrynic_acid,bmse000134,10,113.5528,12.1
1545,ethacrynic_acid,bmse000134,11,70.3721,12.5
1546,ethacrynic_acid,bmse000134,12,25.8093,12.14
1547,ethacrynic_acid,bmse000134,13,14.5372,10.57
1548,itaconic_acid,bmse000137,1,183.4319,1.66
1549,itaconic_acid,bmse000137,2,144.4598,3.08
1550,itaconic_acid,bmse000137,3,124.7498,11.94
1551,itaconic_acid,bmse000137,4,44.7199,12.5
1552,amygdalin,bmse000139,1,135.1591,3.04
1553,amygdalin,bmse000139,2,133.2211,4.82
1554,amygdalin,bmse000139,3,132.0805,12.5
1555,amygdalin,bmse000139,4,130.5071,12.26
1556,amygdalin,bmse000139,5,121.2539,2.79
1557,amygdalin,bmse000139,6,105.5549,5
1558,amygdalin,bmse000139,7,104.1485,4.67
1559,amygdalin,bmse000139,8,78.6035,5.33
1560,amygdalin,bmse000139,9,78.2945,5.19
1561,amygdalin,bmse000139,10,78.182,4.9
1562,amygdalin,bmse000139,11,78.0819,4.95
1563,amygdalin,bmse000139,12,75.9,5.09
1564,amygdalin,bmse000139,13,75.4567,4.78
1565,amygdalin,bmse000139,14,72.369,5.36
1566,amygdalin,bmse000139,15,71.8621,4.67
1567,amygdalin,bmse000139,16,71.7644,5.77
1568,amygdalin,bmse000139,17,70.9831,3.34
1569,amygdalin,bmse000139,18,63.4233,3.79
1570,D_cellobiose,bmse000138,1,105.2663,8.21
1571,D_cellobiose,bmse000138,2,105.2381,5.61
1572,D_cellobiose,bmse000138,3,98.4528,7.32
1573,D_cellobiose,bmse000138,4,94.5197,4.61
1574,D_cellobiose,bmse000138,5,81.4215,4.68
1575,D_cellobiose,bmse000138,6,81.2838,7.67
1576,D_cellobiose,bmse000138,7,78.6932,12.12
1577,D_cellobiose,bmse000138,8,78.1874,12.5
1578,D_cellobiose,bmse000138,9,77.5013,7.76
1579,D_cellobiose,bmse000138,10,76.9856,7.78
1580,D_cellobiose,bmse000138,11,76.5907,7.38
1581,D_cellobiose,bmse000138,12,75.8703,9.08
1582,D_cellobiose,bmse000138,13,74.0348,4.8
1583,D_cellobiose,bmse000138,14,73.925,5.13
1584,D_cellobiose,bmse000138,15,72.8163,4.72
1585,D_cellobiose,bmse000138,16,72.1615,6.12
1586,D_cellobiose,bmse000138,17,72.1439,8.59
1587,D_cellobiose,bmse000138,18,63.2643,6.56
1588,D_cellobiose,bmse000138,19,62.74,5.36
1589,D_cellobiose,bmse000138,20,62.606,3.56
1888,NADP,bmse000263,16,89.1719,5.28
1590,gamma_D_galactonolactone,bmse000141,1,178.7234,2.86
1591,gamma_D_galactonolactone,bmse000141,2,82.7298,12.5
1592,gamma_D_galactonolactone,bmse000141,3,76.4007,12.48
1593,gamma_D_galactonolactone,bmse000141,4,75.5187,12.19
1594,gamma_D_galactonolactone,bmse000141,5,74.2346,3.63
1595,gamma_D_galactonolactone,bmse000141,6,74.0161,3.26
1596,gamma_D_galactonolactone,bmse000141,7,72.7812,3.45
1597,gamma_D_galactonolactone,bmse000141,8,72.4324,3.36
1598,gamma_D_galactonolactone,bmse000141,9,71.5773,12.34
1599,gamma_D_galactonolactone,bmse000141,10,66.0277,3.07
1600,gamma_D_galactonolactone,bmse000141,11,64.6899,11.19
1601,D_glucuronate,bmse000140,1,179.6525,1.52
1602,D_glucuronate,bmse000140,2,178.6724,2.78
1603,D_glucuronate,bmse000140,3,98.5755,11.73
1604,D_glucuronate,bmse000140,4,94.8123,7.69
1605,D_glucuronate,bmse000140,5,78.959,12.5
1606,D_glucuronate,bmse000140,6,78.2467,11.99
1607,D_glucuronate,bmse000140,7,76.6906,11.59
1608,D_glucuronate,bmse000140,8,75.2591,7.37
1609,D_glucuronate,bmse000140,9,74.8051,6.93
1610,D_glucuronate,bmse000140,10,74.5748,8
1611,D_glucuronate,bmse000140,11,74.5431,12.46
1612,D_glucuronate,bmse000140,12,73.9985,7.55
1613,L_gulonolactone,bmse000235,1,180.7006,2.42
1614,L_gulonolactone,bmse000235,2,84.0626,11.74
1615,L_gulonolactone,bmse000235,3,76.1965,2.96
1616,L_gulonolactone,bmse000235,4,75.331,3.02
1617,L_gulonolactone,bmse000235,5,74.9955,3.01
1618,L_gulonolactone,bmse000235,6,73.5223,12.5
1619,L_gulonolactone,bmse000235,7,73.1631,3.21
1620,L_gulonolactone,bmse000235,8,72.7983,12.19
1621,L_gulonolactone,bmse000235,9,72.2798,12.42
1622,L_gulonolactone,bmse000235,10,65.2205,2.74
1623,L_gulonolactone,bmse000235,11,64.1843,11.09
1624,glycogen,bmse000232,1,102.5103,8.96
1625,glycogen,bmse000232,2,79.5505,5.53
1626,glycogen,bmse000232,3,75.5834,9.32
1627,glycogen,bmse000232,4,74.2061,12.5
1628,glycogen,bmse000232,5,72.0454,4.53
1629,glycogen,bmse000232,6,63.2055,9.29
1630,melibiose,bmse000233,1,100.9084,5.19
1631,melibiose,bmse000233,2,100.8632,7.98
1632,melibiose,bmse000233,3,98.7735,7.66
1633,melibiose,bmse000233,4,94.8931,4.76
1634,melibiose,bmse000233,5,78.5818,7.97
1635,melibiose,bmse000233,6,77.0484,7.73
1636,melibiose,bmse000233,7,76.7428,7.76
1637,melibiose,bmse000233,8,75.6402,4.58
1638,melibiose,bmse000233,9,74.1149,4.63
1639,melibiose,bmse000233,10,73.6528,8.49
1640,melibiose,bmse000233,11,72.7893,4.29
1641,melibiose,bmse000233,12,72.267,4.52
1642,melibiose,bmse000233,13,72.1674,11.07
1643,melibiose,bmse000233,14,72.1167,8.55
1644,melibiose,bmse000233,15,71.8963,12.5
1645,melibiose,bmse000233,16,71.1803,5.19
1646,melibiose,bmse000233,17,71.1491,7.83
1647,melibiose,bmse000233,18,68.5995,3.44
1648,melibiose,bmse000233,19,68.5046,5.7
1649,melibiose,bmse000233,20,63.7983,7.42
1650,D_glucono_1_5_lactone,bmse000230,1,181.2312,2.98
1651,D_glucono_1_5_lactone,bmse000230,2,76.6877,12.5
1652,D_glucono_1_5_lactone,bmse000230,3,75.204,12.42
1653,D_glucono_1_5_lactone,bmse000230,4,73.8622,12.42
1654,D_glucono_1_5_lactone,bmse000230,5,73.6372,12.42
1655,D_glucono_1_5_lactone,bmse000230,6,65.3046,10.99
1656,N_acetyl_D_glucosamine,bmse000231,1,177.4899,2.8
1657,N_acetyl_D_glucosamine,bmse000231,2,177.2462,4.07
1658,N_acetyl_D_glucosamine,bmse000231,3,97.6343,8.26
1659,N_acetyl_D_glucosamine,bmse000231,4,93.5456,12.5
1660,N_acetyl_D_glucosamine,bmse000231,5,78.6606,9.02
1661,N_acetyl_D_glucosamine,bmse000231,6,76.5921,8.56
1662,N_acetyl_D_glucosamine,bmse000231,7,74.2719,12.4
1663,N_acetyl_D_glucosamine,bmse000231,8,73.3628,12.21
1664,N_acetyl_D_glucosamine,bmse000231,9,72.7507,12.34
1665,N_acetyl_D_glucosamine,bmse000231,10,72.5242,8.84
1666,N_acetyl_D_glucosamine,bmse000231,11,63.4249,7.22
1667,N_acetyl_D_glucosamine,bmse000231,12,63.2564,10.49
1668,N_acetyl_D_glucosamine,bmse000231,13,59.3824,8.25
1669,N_acetyl_D_glucosamine,bmse000231,14,56.8002,11.86
1670,N_acetyl_D_glucosamine,bmse000231,15,24.8865,6.38
1671,N_acetyl_D_glucosamine,bmse000231,16,24.609,9.19
1672,polygalacturonic_acid,bmse000228,1,178.1914,12.5
1673,polygalacturonic_acid,bmse000228,2,101.6522,9.97
1674,polygalacturonic_acid,bmse000228,3,80.5569,9.65
1675,polygalacturonic_acid,bmse000228,4,73.9772,8.45
1676,polygalacturonic_acid,bmse000228,5,71.4996,8.28
1677,polygalacturonic_acid,bmse000228,6,70.7598,8.29
1678,polygalacturonic_acid,bmse000228,7,26.4074,3.65
1679,D_saccharate,bmse000239,1,181.3679,2.13
1680,D_saccharate,bmse000239,2,181.237,1.95
1681,D_saccharate,bmse000239,3,76.4264,11.96
1682,D_saccharate,bmse000239,4,76.4165,12.5
1683,D_saccharate,bmse000239,5,76.2846,9.51
1684,D_saccharate,bmse000239,6,74.3621,9.95
1685,stachyose,bmse000240,1,106.5168,12.21
1686,stachyose,bmse000240,2,101.06,8.92
1687,stachyose,bmse000240,3,100.7169,10.76
1688,stachyose,bmse000240,4,94.8219,8.89
1689,stachyose,bmse000240,5,84.0524,9.16
1690,stachyose,bmse000240,6,78.9976,9.04
1691,stachyose,bmse000240,7,76.6795,9.2
1692,stachyose,bmse000240,8,75.4111,9
1693,stachyose,bmse000240,9,73.9757,8.23
1694,stachyose,bmse000240,10,73.7006,10.47
1695,stachyose,bmse000240,11,73.6476,9.63
1696,stachyose,bmse000240,12,72.1972,12.5
1697,stachyose,bmse000240,13,72.173,10.25
1698,stachyose,bmse000240,14,72.0684,10.06
1699,stachyose,bmse000240,15,72.0362,10.92
1700,stachyose,bmse000240,16,71.9303,12.49
1701,stachyose,bmse000240,17,71.5019,8.73
1702,stachyose,bmse000240,18,71.1393,9.07
1703,stachyose,bmse000240,19,70.9835,10.63
1704,stachyose,bmse000240,20,69.1734,6.48
1705,stachyose,bmse000240,21,68.5201,5.87
1706,stachyose,bmse000240,22,65.1886,8.65
1707,stachyose,bmse000240,23,64.0756,7.23
1708,stachyose,bmse000240,24,63.8499,10.36
1709,L_tartaric_acid,bmse000167,1,181.2992,12.5
1710,D_xylonate_cadmium,bmse000166,1,181.2863,3.14
1711,D_xylonate_cadmium,bmse000166,2,75.334,10.18
1712,D_xylonate_cadmium,bmse000166,3,75.0844,12.5
1713,D_xylonate_cadmium,bmse000166,4,65.059,9.59
1714,N_acetyl_D_glucosamine_1_phosphate,bmse000163,1,177.4252,6.68
1715,N_acetyl_D_glucosamine_1_phosphate,bmse000163,2,95.4941,6.42
1716,N_acetyl_D_glucosamine_1_phosphate,bmse000163,3,95.4396,6.74
1717,N_acetyl_D_glucosamine_1_phosphate,bmse000163,4,74.801,12.35
1718,N_acetyl_D_glucosamine_1_phosphate,bmse000163,5,74.139,11.43
1719,N_acetyl_D_glucosamine_1_phosphate,bmse000163,6,72.7232,12.5
1720,N_acetyl_D_glucosamine_1_phosphate,bmse000163,7,63.4049,10.26
1721,N_acetyl_D_glucosamine_1_phosphate,bmse000163,8,60.1376,1.31
1722,N_acetyl_D_glucosamine_1_phosphate,bmse000163,9,56.8998,5.8
1723,N_acetyl_D_glucosamine_1_phosphate,bmse000163,10,56.8264,6.12
1724,N_acetyl_D_glucosamine_1_phosphate,bmse000163,11,24.8578,11.78
1725,N_acetyl_D_glucosamine_1_phosphate,bmse000163,12,19.5062,1.22
1726,L_ornithine,bmse000162,1,177.052,2.52
1727,L_ornithine,bmse000162,2,56.8032,12.42
1728,L_ornithine,bmse000162,3,41.5581,10.67
1729,L_ornithine,bmse000162,4,30.183,12.5
1730,L_ornithine,bmse000162,5,25.4674,10.78
1731,D_alanine,bmse000236,1,178.5839,1.59
1732,D_alanine,bmse000236,2,53.2011,9.79
1733,D_alanine,bmse000236,3,18.8519,12.5
1734,4_nitrophenol,bmse000223,1,130.0111,12.5
1735,4_nitrophenol,bmse000223,2,129.9947,12.29
1736,4_nitrophenol,bmse000223,3,120.3011,8.51
1737,4_nitrophenol,bmse000223,4,120.2591,10.79
1738,D_L_glyceraldehyde,bmse000225,1,92.4597,11.03
1739,D_L_glyceraldehyde,bmse000225,2,76.7639,11.48
1740,D_L_glyceraldehyde,bmse000225,3,64.6759,12.5
1741,4_hydroxycinnamic_acid,bmse000150,1,178.908,1.38
1742,4_hydroxycinnamic_acid,bmse000150,2,159.818,1.85
1743,4_hydroxycinnamic_acid,bmse000150,3,143.5246,4.55
1744,4_hydroxycinnamic_acid,bmse000150,4,132.2994,11.74
1745,4_hydroxycinnamic_acid,bmse000150,5,130.1932,2.25
1746,4_hydroxycinnamic_acid,bmse000150,6,124.1229,4.91
1747,4_hydroxycinnamic_acid,bmse000150,7,118.5321,12.5
1748,alpha_D_galactose_1_phosphate,bmse000151,1,96.62,5.96
1749,alpha_D_galactose_1_phosphate,bmse000151,2,96.566,5.93
1750,alpha_D_galactose_1_phosphate,bmse000151,3,73.8281,11.4
1751,alpha_D_galactose_1_phosphate,bmse000151,4,72.304,10.42
1752,alpha_D_galactose_1_phosphate,bmse000151,5,72.1558,12.5
1753,alpha_D_galactose_1_phosphate,bmse000151,6,71.7402,5.87
1754,alpha_D_galactose_1_phosphate,bmse000151,7,71.6737,5.84
1755,alpha_D_galactose_1_phosphate,bmse000151,8,64.0705,10.09
1756,dAMP,bmse000250,1,155.0627,3.71
1757,dAMP,bmse000250,2,142.9366,3.42
1758,dAMP,bmse000250,3,90.1821,11.54
1759,dAMP,bmse000250,4,87.3797,7.1
1760,dAMP,bmse000250,5,74.0139,10.26
1761,dAMP,bmse000250,6,64.4148,12.5
1762,dAMP,bmse000250,7,41.7694,7.82
1763,Oxalosuccinate,bmse000251,1,184.1371,2.15
1764,Oxalosuccinate,bmse000251,2,172.7664,1.95
1765,Oxalosuccinate,bmse000251,3,52.8383,1.48
1766,Oxalosuccinate,bmse000251,4,38.5758,5.93
1767,Oxalosuccinate,bmse000251,5,38.454,1.48
1768,Oxalosuccinate,bmse000251,6,38.2644,1.54
1769,Oxalosuccinate,bmse000251,7,38.0683,1.39
1770,Oxalosuccinate,bmse000251,8,36.9355,3.83
1771,Oxalosuccinate,bmse000251,9,35.3007,1.19
1772,Oxalosuccinate,bmse000251,10,34.9692,1.16
1773,Oxalosuccinate,bmse000251,11,33.3147,5.48
1774,Oxalosuccinate,bmse000251,12,33.2611,6.95
1775,Oxalosuccinate,bmse000251,13,33.2048,12.5
1776,Oxalosuccinate,bmse000251,14,25.9719,1.99
1777,Salicylate,bmse000252,1,178.336,1.8
1778,Salicylate,bmse000252,2,162.3095,1.9
1779,Salicylate,bmse000252,3,136.7054,12.5
1780,Salicylate,bmse000252,4,133.2002,11.8
1781,Salicylate,bmse000252,5,122.0978,11.69
1782,Salicylate,bmse000252,6,120.713,2.32
1783,Salicylate,bmse000252,7,119.007,12.31
1784,dADP,bmse000253,1,158.1421,4.9
1785,dADP,bmse000253,2,155.3005,9.18
1786,dADP,bmse000253,3,151.2181,2.23
1787,dADP,bmse000253,4,142.6258,3.6
1788,dADP,bmse000253,5,121.1832,1.88
1789,dADP,bmse000253,6,88.4189,5.03
1790,dADP,bmse000253,7,88.3329,5.02
1791,dADP,bmse000253,8,86.1412,10.03
1792,dADP,bmse000253,9,73.3197,12.5
1793,dADP,bmse000253,10,67.3652,4.1
1794,dADP,bmse000253,11,67.3129,3.98
1795,dADP,bmse000253,12,41.5514,9.81
1796,D_Fructose_1_phosphate,bmse000254,1,100.8301,3.74
1797,D_Fructose_1_phosphate,bmse000254,2,100.7578,3.97
1798,D_Fructose_1_phosphate,bmse000254,3,83.1443,1.21
1799,D_Fructose_1_phosphate,bmse000254,4,78.79,1.8
1800,D_Fructose_1_phosphate,bmse000254,5,76.8304,1.21
1801,D_Fructose_1_phosphate,bmse000254,6,72.0493,12.5
1802,D_Fructose_1_phosphate,bmse000254,7,71.8351,11.69
1803,D_Fructose_1_phosphate,bmse000254,8,70.5098,12.35
1804,D_Fructose_1_phosphate,bmse000254,9,68.9967,5.19
1805,D_Fructose_1_phosphate,bmse000254,10,68.9492,5.25
1806,D_Fructose_1_phosphate,bmse000254,11,66.0887,9.73
1807,D_Fructose_1_phosphate,bmse000254,12,64.969,2.12
1808,D_Fructose_1_phosphate,bmse000254,13,64.1264,1.29
1809,ITP,bmse000255,1,161.4399,4.25
1810,ITP,bmse000255,2,151.5943,2.62
1811,ITP,bmse000255,3,149.0201,9.65
1812,ITP,bmse000255,4,142.5226,5.74
1813,ITP,bmse000255,5,126.3562,2.24
1814,ITP,bmse000255,6,90.276,1.56
1815,ITP,bmse000255,7,89.9312,10.81
1816,ITP,bmse000255,8,86.8306,5.65
1817,ITP,bmse000255,9,86.7415,5.81
1818,ITP,bmse000255,10,77.2254,2.18
1819,ITP,bmse000255,11,77.1273,12.5
1820,ITP,bmse000255,12,72.8596,11.68
1821,ITP,bmse000255,13,72.5243,2.14
1822,ITP,bmse000255,14,67.7479,4.35
1823,ITP,bmse000255,15,67.695,4.23
1824,Formaldehyde,bmse000256,1,84.4358,12.5
1825,FMN,bmse000257,1,163.2526,6.78
1826,FMN,bmse000257,2,160.3175,7.33
1827,FMN,bmse000257,3,153.429,6.6
1828,FMN,bmse000257,4,152.3129,4.11
1829,FMN,bmse000257,5,142.1584,7.18
1830,FMN,bmse000257,6,136.6282,6.86
1831,FMN,bmse000257,7,136.1877,6.82
1832,FMN,bmse000257,8,134.1083,4
1833,FMN,bmse000257,9,132.8224,4.98
1834,FMN,bmse000257,10,119.7064,4.78
1835,FMN,bmse000257,11,75.2209,6.14
1836,FMN,bmse000257,12,74.4868,3.9
1837,FMN,bmse000257,13,74.4237,3.92
1838,FMN,bmse000257,14,72.0087,6.36
1839,FMN,bmse000257,15,67.8012,3.52
1840,FMN,bmse000257,16,50.1474,2.93
1841,FMN,bmse000257,17,23.466,11.62
1842,FMN,bmse000257,18,21.3437,12.5
1843,Glycolaldehyde,bmse000258,1,92.374,9.81
1844,Glycolaldehyde,bmse000258,2,67.1623,12.5
1845,4_Hydroxybenzaldehyde,bmse000259,1,197.0798,3.76
1846,4_Hydroxybenzaldehyde,bmse000259,2,136.1538,9.71
1847,4_Hydroxybenzaldehyde,bmse000259,3,129.545,1.03
1848,4_Hydroxybenzaldehyde,bmse000259,4,119.8609,12.5
1849,Nicotinamide_D_ribonucleotide,bmse000260,1,175.8236,3.35
1850,Nicotinamide_D_ribonucleotide,bmse000260,2,141.0654,10.52
1851,Nicotinamide_D_ribonucleotide,bmse000260,3,127.6138,9.12
1852,Nicotinamide_D_ribonucleotide,bmse000260,4,108.182,10.66
1853,Nicotinamide_D_ribonucleotide,bmse000260,5,103.4044,6.52
1854,Nicotinamide_D_ribonucleotide,bmse000260,6,103.1839,1.61
1855,Nicotinamide_D_ribonucleotide,bmse000260,7,97.6396,11.48
1856,Nicotinamide_D_ribonucleotide,bmse000260,8,85.9422,6.34
1857,Nicotinamide_D_ribonucleotide,bmse000260,9,85.8555,6.04
1858,Nicotinamide_D_ribonucleotide,bmse000260,10,80.4925,1.81
1859,Nicotinamide_D_ribonucleotide,bmse000260,11,74.2063,1.79
1860,Nicotinamide_D_ribonucleotide,bmse000260,12,73.4952,12.5
1861,Nicotinamide_D_ribonucleotide,bmse000260,13,73.3372,12.21
1862,Nicotinamide_D_ribonucleotide,bmse000260,14,66.7617,5.06
1863,Nicotinamide_D_ribonucleotide,bmse000260,15,66.7167,4.78
1864,Nicotinamide_D_ribonucleotide,bmse000260,16,24.6964,9.6
1865,Acetyl_phosphate,bmse000261,1,175.0096,3.44
1866,Acetyl_phosphate,bmse000261,2,25.9801,10.24
1867,Acetyl_phosphate,bmse000261,3,24.7883,12.5
1868,Acetyl_phosphate,bmse000261,4,24.7425,11.1
1869,3_4_Hydroxyphenyl_pyruvate,bmse000262,1,157.3242,1.3
1870,3_4_Hydroxyphenyl_pyruvate,bmse000262,2,133.865,7.91
1871,3_4_Hydroxyphenyl_pyruvate,bmse000262,3,118.3826,12.5
1872,3_4_Hydroxyphenyl_pyruvate,bmse000262,4,117.7478,1.45
1873,NADP,bmse000263,1,167.8496,4.47
1874,NADP,bmse000263,2,158.1147,5.39
1875,NADP,bmse000263,3,155.428,9.01
1876,NADP,bmse000263,4,151.6757,5.76
1877,NADP,bmse000263,5,148.3745,7.75
1878,NADP,bmse000263,6,145.0167,6.29
1879,NADP,bmse000263,7,142.8886,8.29
1880,NADP,bmse000263,8,142.5477,5.92
1881,NADP,bmse000263,9,136.304,8.28
1882,NADP,bmse000263,10,131.3453,8.51
1883,NADP,bmse000263,11,121.1612,3.82
1884,NADP,bmse000263,12,102.729,11.11
1885,NADP,bmse000263,13,89.8221,5.86
1889,NADP,bmse000263,17,85.7472,5.48
1890,NADP,bmse000263,18,85.6577,5.52
1891,NADP,bmse000263,19,80.3221,12.5
1892,NADP,bmse000263,20,78.7636,5.55
1893,NADP,bmse000263,21,78.722,5.71
1894,NADP,bmse000263,22,73.3731,12.23
1895,NADP,bmse000263,23,72.7335,7.06
1896,NADP,bmse000263,24,68.2193,4.11
1897,NADP,bmse000263,25,67.6754,4.43
1898,NADP,bmse000263,26,57.0544,1.98
1899,4_Nitrophenyl_phosphate,bmse000264,1,163.0405,1.08
1900,4_Nitrophenyl_phosphate,bmse000264,2,144.5179,1.04
1901,4_Nitrophenyl_phosphate,bmse000264,3,128.4131,12.5
1902,4_Nitrophenyl_phosphate,bmse000264,4,122.6671,7.06
1903,4_Nitrophenyl_phosphate,bmse000264,5,122.6148,7.04
1904,4_Nitrocatechol,bmse000265,1,164.1278,1.69
1905,4_Nitrocatechol,bmse000265,2,148.5107,2.32
1906,4_Nitrocatechol,bmse000265,3,138.4594,1.3
1907,4_Nitrocatechol,bmse000265,4,122.9045,11.12
1908,4_Nitrocatechol,bmse000265,5,118.6529,12.08
1909,4_Nitrocatechol,bmse000265,6,112.45,12.5
1910,UDP,bmse000266,1,169.0888,5
1911,UDP,bmse000266,2,154.545,3.74
1912,UDP,bmse000266,3,144.5243,8.52
1913,UDP,bmse000266,4,105.234,10.35
1914,UDP,bmse000266,5,91.4445,11.2
1915,UDP,bmse000266,6,85.9024,5.62
1916,UDP,bmse000266,7,85.8136,5.66
1917,UDP,bmse000266,8,76.5959,12.5
1918,UDP,bmse000266,9,71.8259,11.92
1919,UDP,bmse000266,10,66.8315,4.4
1920,UDP,bmse000266,11,66.7792,4.54
1921,Formamide,bmse000267,1,169.4492,12.5
1922,R_Lactate,bmse000269,1,185.265,2.92
1923,R_Lactate,bmse000269,2,71.1978,10.49
1924,R_Lactate,bmse000269,3,22.7641,12.5
1925,GDP,bmse000270,1,161.6068,4.89
1926,GDP,bmse000270,2,156.6326,5.27
1927,GDP,bmse000270,3,154.1538,4.67
1928,GDP,bmse000270,4,140.2801,1.14
1929,GDP,bmse000270,5,140.1096,6.84
1930,GDP,bmse000270,6,118.7579,3.69
1931,GDP,bmse000270,7,89.8065,11.14
1932,GDP,bmse000270,8,86.2198,5.66
1933,GDP,bmse000270,9,86.132,5.77
1934,GDP,bmse000270,10,76.7534,12.5
1935,GDP,bmse000270,11,72.5131,12.28
1936,GDP,bmse000270,12,67.1729,4.45
1937,GDP,bmse000270,13,67.1215,4.26
1938,CoA,bmse000271,1,177.6817,2.7
1939,CoA,bmse000271,2,177.4294,8.2
1940,CoA,bmse000271,3,176.8233,2.08
1941,CoA,bmse000271,4,176.7106,6.6
1942,CoA,bmse000271,5,158.389,5.21
1943,CoA,bmse000271,6,155.6654,8.04
1944,CoA,bmse000271,7,155.5753,5.97
1945,CoA,bmse000271,8,152.1398,5.55
1946,CoA,bmse000271,9,152.0219,2.76
1947,CoA,bmse000271,10,142.9347,4.88
1948,CoA,bmse000271,11,142.6212,6.68
1949,CoA,bmse000271,12,121.3186,3.76
1950,CoA,bmse000271,13,89.3885,6.08
1951,CoA,bmse000271,14,89.1901,9.09
1952,CoA,bmse000271,15,87.3585,1.54
1953,CoA,bmse000271,16,87.3087,1.85
1954,CoA,bmse000271,17,87.2237,1.74
1955,CoA,bmse000271,18,86.8498,2.3
1956,CoA,bmse000271,19,86.7595,2.57
1957,CoA,bmse000271,20,85.3884,1.1
1958,CoA,bmse000271,21,79.6453,1.28
1959,CoA,bmse000271,22,79.1396,1.19
1960,CoA,bmse000271,23,78.2226,1.22
1961,CoA,bmse000271,24,77.5422,4.25
1962,CoA,bmse000271,25,77.2177,3.82
1963,CoA,bmse000271,26,77.1851,3.69
1964,CoA,bmse000271,27,76.9949,5.4
1965,CoA,bmse000271,28,76.9604,4.74
1966,CoA,bmse000271,29,76.7805,9.52
1967,CoA,bmse000271,30,76.4673,4.19
1968,CoA,bmse000271,31,76.4236,8.22
1969,CoA,bmse000271,32,76.3796,5.46
1970,CoA,bmse000271,33,74.5542,4.24
1971,CoA,bmse000271,34,74.4922,3.65
1972,CoA,bmse000271,35,73.328,2.2
1973,CoA,bmse000271,36,73.2765,1.86
1974,CoA,bmse000271,37,68.4744,3.83
1975,CoA,bmse000271,38,68.4222,3.88
1976,CoA,bmse000271,39,66.6691,2.47
1977,CoA,bmse000271,40,66.6238,2.86
1978,CoA,bmse000271,41,45.0428,4.93
1979,CoA,bmse000271,42,44.9976,11.76
1980,CoA,bmse000271,43,44.9048,1.18
1981,CoA,bmse000271,44,41.1259,2.81
1982,CoA,bmse000271,45,41.0359,6.14
1983,CoA,bmse000271,46,40.9558,6.01
1984,CoA,bmse000271,47,40.7593,1.76
1985,CoA,bmse000271,48,39.1263,1.74
1986,CoA,bmse000271,49,38.2973,1.72
1987,CoA,bmse000271,50,38.1621,9.87
1988,CoA,bmse000271,51,38.0817,9.25
1989,CoA,bmse000271,52,25.7997,12.5
1990,CoA,bmse000271,53,24.0869,1.45
1991,CoA,bmse000271,54,23.9984,3.96
1992,CoA,bmse000271,55,23.5128,8.93
1993,CoA,bmse000271,56,22.6789,1.36
1994,CoA,bmse000271,57,20.9419,3.81
1995,CoA,bmse000271,58,20.7819,9.63
1996,CoA,bmse000271,59,20.1012,1.78
1997,CDP,bmse000272,1,168.8761,4.9
1998,CDP,bmse000272,2,160.4002,4.39
1999,CDP,bmse000272,3,144.5698,1.09
2000,CDP,bmse000272,4,144.266,8.55
2001,CDP,bmse000272,5,99.3648,1.46
2002,CDP,bmse000272,6,99.2242,9.38
2003,CDP,bmse000272,7,92.2295,11.24
2004,CDP,bmse000272,8,91.8456,1.72
2005,CDP,bmse000272,9,85.3396,5.74
2006,CDP,bmse000272,10,85.2502,5.69
2007,CDP,bmse000272,11,77.0076,12.5
2008,CDP,bmse000272,12,72.3706,1.47
2009,CDP,bmse000272,13,71.4858,12.07
2010,CDP,bmse000272,14,66.6366,4.51
2011,CDP,bmse000272,15,66.5841,4.41
2012,D_Aspartate,bmse000273,1,180.3052,2.2
2013,D_Aspartate,bmse000273,2,177.0122,1.98
2014,D_Aspartate,bmse000273,3,54.9072,9.91
2015,D_Aspartate,bmse000273,4,39.2644,12.5
2016,Thiamin,bmse000274,1,171.726,5.58
2017,Thiamin,bmse000274,2,164.5163,3.11
2018,Thiamin,bmse000274,3,159.8969,10.99
2019,Thiamin,bmse000274,4,145.552,3.59
2020,Thiamin,bmse000274,5,138.7379,4.97
2021,Thiamin,bmse000274,6,107.1899,6.29
2022,Thiamin,bmse000274,7,63.1255,12.5
2023,Thiamin,bmse000274,8,53.7574,10.69
2024,Thiamin,bmse000274,9,31.9248,12.41
2025,Thiamin,bmse000274,10,26.7632,11.25
2026,Thiamin,bmse000274,11,13.8517,12.02
2027,D_Fructose_2_6_bisphosphate,bmse000275,1,106.8714,4.79
2028,D_Fructose_2_6_bisphosphate,bmse000275,2,106.8017,4.74
2029,D_Fructose_2_6_bisphosphate,bmse000275,3,82.9825,6.41
2030,D_Fructose_2_6_bisphosphate,bmse000275,4,82.912,6.28
2031,D_Fructose_2_6_bisphosphate,bmse000275,5,80.0513,6.58
2032,D_Fructose_2_6_bisphosphate,bmse000275,6,80.0052,6.39
2033,D_Fructose_2_6_bisphosphate,bmse000275,7,78.0543,12.5
2034,D_Fructose_2_6_bisphosphate,bmse000275,8,68.3553,5.53
2035,D_Fructose_2_6_bisphosphate,bmse000275,9,68.3079,5.71
2036,D_Fructose_2_6_bisphosphate,bmse000275,10,65.2002,7.1
2037,D_Fructose_2_6_bisphosphate,bmse000275,11,60.1397,1.11
2038,D_Fructose_2_6_bisphosphate,bmse000275,12,19.51,1.19
2039,Ethanolamine,bmse000276,1,60.3171,12.5
2040,Ethanolamine,bmse000276,2,43.9507,8.05
2041,CTP,bmse000277,1,168.8983,5.15
2042,CTP,bmse000277,2,160.5208,4.42
2043,CTP,bmse000277,3,144.2311,8.6
2044,CTP,bmse000277,4,99.3524,9.52
2045,CTP,bmse000277,5,91.8085,11.04
2046,CTP,bmse000277,6,85.501,5.68
2047,CTP,bmse000277,7,85.4107,5.57
2048,CTP,bmse000277,8,77.0203,1.35
2049,CTP,bmse000277,9,76.8989,12.5
2050,CTP,bmse000277,10,71.7933,11.89
2051,CTP,bmse000277,11,71.4631,1.06
2052,CTP,bmse000277,12,67.272,4.2
2053,CTP,bmse000277,13,67.2177,4.39
2054,D_Ribulose_5_phosphate,bmse000278,1,103.8241,7.82
2055,D_Ribulose_5_phosphate,bmse000278,2,98.9771,2.24
2056,D_Ribulose_5_phosphate,bmse000278,3,85.3023,1.6
2057,D_Ribulose_5_phosphate,bmse000278,4,84.6704,3.81
2058,D_Ribulose_5_phosphate,bmse000278,5,84.5875,4.13
2059,D_Ribulose_5_phosphate,bmse000278,6,78.03,9.99
2060,D_Ribulose_5_phosphate,bmse000278,7,73.4112,12.5
2061,D_Ribulose_5_phosphate,bmse000278,8,72.931,3.83
2062,D_Ribulose_5_phosphate,bmse000278,9,67.3547,5.39
2063,D_Ribulose_5_phosphate,bmse000278,10,67.3093,5.5
2064,D_Ribulose_5_phosphate,bmse000278,11,66.4813,2.3
2065,Urocanate,bmse000279,1,178.6198,2.5
2066,Urocanate,bmse000279,2,140.3626,11.29
2067,Urocanate,bmse000279,3,137.0776,2.14
2068,Urocanate,bmse000279,4,133.668,10.36
2069,Urocanate,bmse000279,5,124.4849,12.5
2070,Urocanate,bmse000279,6,123.9802,8.38
2071,UMP,bmse000280,1,169.0839,4.57
2072,UMP,bmse000280,2,154.6578,3.41
2073,UMP,bmse000280,3,144.8275,8.54
2074,UMP,bmse000280,4,105.3924,10.43
2075,UMP,bmse000280,5,91.006,11.31
2076,UMP,bmse000280,6,86.9204,5.97
2077,UMP,bmse000280,7,86.8326,6.05
2078,UMP,bmse000280,8,76.6643,12.5
2079,UMP,bmse000280,9,72.7729,12.16
2080,UMP,bmse000280,10,65.9126,4.79
2081,UMP,bmse000280,11,65.8681,4.9
2082,Nicotinamide,bmse000281,1,154.5266,12.5
2083,Nicotinamide,bmse000281,2,150.344,11.49
2084,Nicotinamide,bmse000281,3,139.1539,11.48
2085,Nicotinamide,bmse000281,4,131.9398,1.76
2086,Nicotinamide,bmse000281,5,126.9235,10.76
2087,DL_Alanine,bmse000282,1,178.5738,1.77
2088,DL_Alanine,bmse000282,2,53.2017,9.6
2089,DL_Alanine,bmse000282,3,18.85,12.5
2090,Orotate,bmse000283,1,104.064,12.5
2091,Benzonitrile,bmse000284,1,136.2019,8.6
2092,Benzonitrile,bmse000284,2,135.1116,12.5
2093,Benzonitrile,bmse000284,3,131.8912,12.48
2094,Choline,bmse000285,1,70.1479,3.39
2095,Choline,bmse000285,2,70.1177,3.59
2096,Choline,bmse000285,3,70.0875,3.34
2097,Choline,bmse000285,4,58.3089,8.06
2098,Choline,bmse000285,5,56.621,11.8
2099,Choline,bmse000285,6,56.5813,12.5
2100,Choline,bmse000285,7,56.542,12.01
2101,Acetophenone,bmse000286,1,136.8469,7.17
2102,Acetophenone,bmse000286,2,131.5104,12.5
2103,Acetophenone,bmse000286,3,131.2516,11.84
2104,Acetophenone,bmse000286,4,28.9711,3.47
2105,Pantothenate,bmse000287,1,183.0208,3.24
2106,Pantothenate,bmse000287,2,177.6531,4.02
2107,Pantothenate,bmse000287,3,78.4586,12.5
2108,Pantothenate,bmse000287,4,71.0985,10.81
2109,Pantothenate,bmse000287,5,41.2778,8.26
2425,AMP,bmse000005,7,87.4594,6.04
2110,Pantothenate,bmse000287,6,39.3779,10.45
2111,Pantothenate,bmse000287,7,38.8533,9.94
2112,Pantothenate,bmse000287,8,23.2349,9.96
2113,Pantothenate,bmse000287,9,21.8424,10.1
2114,Pyridoxine,bmse000288,1,163.4259,2.28
2115,Pyridoxine,bmse000288,2,146.9983,3.52
2116,Pyridoxine,bmse000288,3,141.4468,3.78
2117,Pyridoxine,bmse000288,4,138.1842,4.52
2118,Pyridoxine,bmse000288,5,127.4073,3.84
2119,Pyridoxine,bmse000288,6,61.4656,12.5
2120,Pyridoxine,bmse000288,7,58.6687,10.33
2121,Pyridoxine,bmse000288,8,18.2013,8.23
2122,S_Adenosyl_L_homocysteine,bmse000289,1,176.8876,4.61
2123,S_Adenosyl_L_homocysteine,bmse000289,2,158.3878,3.44
2124,S_Adenosyl_L_homocysteine,bmse000289,3,155.6615,9.39
2125,S_Adenosyl_L_homocysteine,bmse000289,4,151.6956,3.2
2126,S_Adenosyl_L_homocysteine,bmse000289,5,142.814,7.91
2127,S_Adenosyl_L_homocysteine,bmse000289,6,121.5644,2.04
2128,S_Adenosyl_L_homocysteine,bmse000289,7,90.125,10.63
2129,S_Adenosyl_L_homocysteine,bmse000289,8,90.0104,2.04
2130,S_Adenosyl_L_homocysteine,bmse000289,9,86.1029,11.9
2131,S_Adenosyl_L_homocysteine,bmse000289,10,75.9715,11.38
2132,S_Adenosyl_L_homocysteine,bmse000289,11,75.0004,12.5
2133,S_Adenosyl_L_homocysteine,bmse000289,12,56.4364,10.43
2134,S_Adenosyl_L_homocysteine,bmse000289,13,36.2065,8.4
2135,S_Adenosyl_L_homocysteine,bmse000289,14,33.1203,8.91
2136,S_Adenosyl_L_homocysteine,bmse000289,15,30.4627,9.14
2137,Phenol,bmse000290,1,132.703,11.87
2138,Phenol,bmse000290,2,123.3534,6.56
2139,Phenol,bmse000290,3,118.0886,12.5
2140,Selenomethionine,bmse000291,1,176.8764,2.7
2141,Selenomethionine,bmse000291,2,57.3265,11.71
2142,Selenomethionine,bmse000291,3,33.5106,11.73
2143,Selenomethionine,bmse000291,4,21.8408,12.5
2144,Selenomethionine,bmse000291,5,5.875,6.96
2145,UDPglucuronate,bmse000292,1,179.1513,4.63
2146,UDPglucuronate,bmse000292,2,169.0242,5.14
2147,UDPglucuronate,bmse000292,3,154.6097,3.93
2148,UDPglucuronate,bmse000292,4,144.2873,8.42
2149,UDPglucuronate,bmse000292,5,105.4108,10.1
2150,UDPglucuronate,bmse000292,6,98.1166,5.83
2151,UDPglucuronate,bmse000292,7,98.0506,5.78
2152,UDPglucuronate,bmse000292,8,91.0126,10.69
2153,UDPglucuronate,bmse000292,9,86.0368,5.52
2154,UDPglucuronate,bmse000292,10,85.9455,5.68
2155,UDPglucuronate,bmse000292,11,76.498,12.5
2156,UDPglucuronate,bmse000292,12,75.7603,10.99
2157,UDPglucuronate,bmse000292,13,75.2986,10.18
2158,UDPglucuronate,bmse000292,14,74.5675,11.19
2159,UDPglucuronate,bmse000292,15,74.1227,5.66
2160,UDPglucuronate,bmse000292,16,74.0395,5.54
2161,UDPglucuronate,bmse000292,17,72.367,11.96
2162,UDPglucuronate,bmse000292,18,67.7081,4.35
2163,UDPglucuronate,bmse000292,19,67.6532,4.54
2164,UDPglucuronate,bmse000292,20,60.142,1.01
2165,UDPglucuronate,bmse000292,21,19.5053,1.3
2166,Hydroquinone,bmse000293,1,151.6552,1.09
2167,Hydroquinone,bmse000293,2,119.0705,12.5
2168,Methanol,bmse000294,1,51.571,12.5
2169,Methanol,bmse000294,2,8.3835,1.29
2170,UTP,bmse000295,1,169.0527,4.84
2171,UTP,bmse000295,2,154.6305,3.56
2172,UTP,bmse000295,3,144.4685,8.62
2173,UTP,bmse000295,4,105.3558,9.9
2174,UTP,bmse000295,5,90.9803,10.91
2175,UTP,bmse000295,6,86.0794,5.45
2176,UTP,bmse000295,7,85.9897,5.66
2177,UTP,bmse000295,8,76.4645,12.5
2178,UTP,bmse000295,9,72.1667,11.59
2179,UTP,bmse000295,10,67.5196,4.26
2180,UTP,bmse000295,11,67.4644,4.32
2181,UTP,bmse000295,12,60.1427,1.1
2182,dTMP,bmse000296,1,169.2356,1.23
2183,dTMP,bmse000296,2,160.5265,1.29
2184,dTMP,bmse000296,3,154.4333,1.31
2185,dTMP,bmse000296,4,140.1216,3.35
2186,dTMP,bmse000296,5,114.2982,2.37
2187,dTMP,bmse000296,6,88.3382,2.04
2188,dTMP,bmse000296,7,88.2519,1.87
2189,dTMP,bmse000296,8,87.8416,3.66
2190,dTMP,bmse000296,9,73.7576,4.03
2191,dTMP,bmse000296,10,69.7071,3.43
2192,dTMP,bmse000296,11,69.6331,3.39
2193,dTMP,bmse000296,12,68.674,6.88
2194,dTMP,bmse000296,13,67.0077,1.54
2195,dTMP,bmse000296,14,66.9519,1.6
2196,dTMP,bmse000296,15,57.1741,5.62
2197,dTMP,bmse000296,16,50.7174,6.42
2198,dTMP,bmse000296,17,47.4494,6.5
2199,dTMP,bmse000296,18,41.3959,3.4
2200,dTMP,bmse000296,19,35.6124,12.5
2201,dTMP,bmse000296,20,27.378,11.97
2202,dTMP,bmse000296,21,27.3297,7.39
2203,dTMP,bmse000296,22,14.3887,4.03
2204,Ethanol,bmse000297,1,60.1347,10.57
2205,Ethanol,bmse000297,2,19.4922,12.5
2206,D_Glyceraldehyde,bmse000298,1,92.4619,11.47
2207,D_Glyceraldehyde,bmse000298,2,76.7643,11.97
2208,D_Glyceraldehyde,bmse000298,3,67.5383,2.02
2209,D_Glyceraldehyde,bmse000298,4,64.6757,12.5
2210,Folate,bmse000299,1,185.1947,10.02
2211,Folate,bmse000299,2,182.1813,8.33
2212,Folate,bmse000299,3,171.6618,6.23
2213,Folate,bmse000299,4,167.4706,1.1
2214,Folate,bmse000299,5,156.8561,3.58
2215,Folate,bmse000299,6,154.9662,1.2
2216,Folate,bmse000299,7,152.4534,5.63
2217,Folate,bmse000299,8,150.9644,2.57
2218,Folate,bmse000299,9,150.4027,4.37
2219,Folate,bmse000299,10,131.6987,1.03
2220,Folate,bmse000299,11,131.3015,7.38
2221,Folate,bmse000299,12,129.0129,4.84
2222,Folate,bmse000299,13,123.0856,5.17
2223,Folate,bmse000299,14,113.9108,6.41
2224,Folate,bmse000299,15,58.6333,8.76
2225,Folate,bmse000299,16,47.4239,2.98
2226,Folate,bmse000299,17,37.0651,12.5
2227,Folate,bmse000299,18,31.1742,7.87
2228,Benzoate,bmse000300,1,138.9121,1.04
2229,Benzoate,bmse000300,2,133.9731,7.03
2230,Benzoate,bmse000300,3,131.4957,12.46
2231,Benzoate,bmse000300,4,131.0181,12.5
2232,1_3_diaminopropane,bmse000001,1,39.3182,12.5
2233,1_3_diaminopropane,bmse000001,2,27.6038,6.62
2234,2_3_diphospho_D_glyceric_acid,bmse000002,1,180.6244,6.14
2235,2_3_diphospho_D_glyceric_acid,bmse000002,2,77.8926,9.81
2236,2_3_diphospho_D_glyceric_acid,bmse000002,3,77.8397,8.95
2237,2_3_diphospho_D_glyceric_acid,bmse000002,4,77.8017,8.58
2238,2_3_diphospho_D_glyceric_acid,bmse000002,5,77.7593,8.04
2239,2_3_diphospho_D_glyceric_acid,bmse000002,6,69.2089,12.5
2240,2_deoxyguanosine,bmse000003,1,140.4376,7.32
2241,2_deoxyguanosine,bmse000003,2,89.8652,7.61
2242,2_deoxyguanosine,bmse000003,3,86.6745,9.57
2243,2_deoxyguanosine,bmse000003,4,73.9059,12.5
2244,2_deoxyguanosine,bmse000003,5,64.3305,8.45
2245,2_deoxyguanosine,bmse000003,6,41.3976,8.86
2246,adenine,bmse000060,1,153.1875,0.8
2247,adenine,bmse000060,2,151.829,1.02
2248,adenine,bmse000060,3,147.5748,11.47
2249,adenine,bmse000060,4,146.3944,12.5
2250,adenine,bmse000060,5,118.324,0.66
2251,adenosine,bmse000061,1,155.2065,8.59
2252,adenosine,bmse000061,2,151.091,3.13
2253,adenosine,bmse000061,3,143.2708,6.58
2254,adenosine,bmse000061,4,91.0332,10.74
2255,adenosine,bmse000061,5,88.5401,11.36
2256,adenosine,bmse000061,6,76.3929,12.5
2257,adenosine,bmse000061,7,73.3525,11.01
2258,adenosine,bmse000061,8,64.2162,10.03
2259,adenosine,bmse000061,9,133.0864,1.07
2260,adonitol,bmse000062,1,74.8925,6.76
2261,adonitol,bmse000062,2,74.8008,11.44
2262,adonitol,bmse000062,3,65.0705,12.5
2263,ADP,bmse000004,1,158.1533,6.68
2264,ADP,bmse000004,2,155.4207,12.01
2265,ADP,bmse000004,3,151.6456,1.97
2266,ADP,bmse000004,4,151.5495,1.81
2267,ADP,bmse000004,5,142.8127,2.95
2268,ADP,bmse000004,6,142.5832,3.64
2269,ADP,bmse000004,7,121.1747,1.72
2270,ADP,bmse000004,8,89.778,10.17
2271,ADP,bmse000004,9,89.5551,6.01
2272,ADP,bmse000004,10,87.4621,3.15
2273,ADP,bmse000004,11,87.3746,3.43
2274,ADP,bmse000004,12,86.4858,4.81
2275,ADP,bmse000004,13,86.3979,5.28
2276,ADP,bmse000004,14,77.2288,6.53
2277,ADP,bmse000004,15,77.0622,12.5
2278,ADP,bmse000004,16,73.4056,6.43
2279,ADP,bmse000004,17,72.6057,12.04
2280,ADP,bmse000004,18,67.1794,3.82
2281,ADP,bmse000004,19,67.1297,3.91
2282,ADP,bmse000004,20,66.2518,2.61
2283,ADP,bmse000004,21,66.2091,2.71
2284,agmatine,bmse000063,1,159.5178,1.15
2285,agmatine,bmse000063,2,43.1542,9.26
2286,agmatine,bmse000063,3,41.7324,8.53
2287,agmatine,bmse000063,4,27.7024,11.07
2288,agmatine,bmse000063,5,26.715,12.5
2289,D_allose,bmse000008,1,96.1036,10.7
2290,D_allose,bmse000008,2,95.5286,1.55
2291,D_allose,bmse000008,3,76.2932,11.82
2292,D_allose,bmse000008,4,74.3841,1.58
2293,D_allose,bmse000008,5,73.9304,11.03
2294,D_allose,bmse000008,6,73.8513,12.02
2295,D_allose,bmse000008,7,69.7109,1.21
2296,D_allose,bmse000008,8,69.5516,1.22
2297,D_allose,bmse000008,9,69.4757,12.5
2298,D_allose,bmse000008,10,68.7507,2.03
2299,D_allose,bmse000008,11,63.8517,10.79
2300,D_allose,bmse000008,12,63.3663,1.24
2301,D_fructose,bmse000010,1,100.7878,2.8
2302,D_fructose,bmse000010,2,83.3844,4
2303,D_fructose,bmse000010,3,78.7409,1.35
2304,D_fructose,bmse000010,4,78.0833,3.23
2305,D_fructose,bmse000010,5,77.1431,3.97
2306,D_fructose,bmse000010,6,72.3808,12.5
2307,D_fructose,bmse000010,7,71.9017,10.92
2308,D_fructose,bmse000010,8,70.2559,10.72
2309,D_fructose,bmse000010,9,66.587,11.06
2310,D_fructose,bmse000010,10,66.0735,12.1
2311,D_fructose,bmse000010,11,65.3682,3.85
2312,D_fructose,bmse000010,12,65.074,4.07
2313,D_galactose,bmse000013,1,99.1714,10.5
2314,D_galactose,bmse000013,2,94.9986,5.59
2315,D_galactose,bmse000013,3,77.8681,12.5
2316,D_galactose,bmse000013,4,75.5121,11.36
2317,D_galactose,bmse000013,5,74.5893,11.5
2318,D_galactose,bmse000013,6,73.1956,6.08
2319,D_galactose,bmse000013,7,72.0185,5.93
2426,AMP,bmse000005,8,87.3722,6.06
2320,D_galactose,bmse000013,8,71.879,5.94
2321,D_galactose,bmse000013,9,71.4595,12.5
2322,D_galactose,bmse000013,10,71.0589,5.22
2323,D_galactose,bmse000013,11,63.8951,5.64
2324,D_galactose,bmse000013,12,63.6909,11.96
2325,D_glucose,bmse000015,1,98.6177,12.18
2326,D_glucose,bmse000015,2,94.8017,7.46
2327,D_glucose,bmse000015,3,78.6602,12.5
2328,D_glucose,bmse000015,4,78.46,12.38
2329,D_glucose,bmse000015,5,76.8429,11.94
2330,D_glucose,bmse000015,6,75.4621,6.95
2331,D_glucose,bmse000015,7,74.1868,7.96
2332,D_glucose,bmse000015,8,74.1521,7.85
2333,D_glucose,bmse000015,9,72.3476,7.59
2334,D_glucose,bmse000015,10,72.3041,12.25
2335,D_glucose,bmse000015,11,63.4496,11.55
2336,D_glucose,bmse000015,12,63.2877,6.43
2337,D_mannose,bmse000018,1,96.747,10.66
2338,D_mannose,bmse000018,2,96.3827,5.27
2339,D_mannose,bmse000018,3,78.8753,4.9
2340,D_mannose,bmse000018,4,75.7486,5.48
2341,D_mannose,bmse000018,5,75.1093,11.15
2342,D_mannose,bmse000018,6,73.9252,5.51
2343,D_mannose,bmse000018,7,73.3921,10.59
2344,D_mannose,bmse000018,8,72.9329,10.68
2345,D_mannose,bmse000018,9,69.5495,10.82
2346,D_mannose,bmse000018,10,69.3058,5.88
2347,D_mannose,bmse000018,11,63.666,12.5
2348,D_psicose,bmse000020,1,105.9793,2.62
2349,D_psicose,bmse000020,2,101.1482,2.31
2350,D_psicose,bmse000020,3,85.4184,12.5
2351,D_psicose,bmse000020,4,77.3405,2.67
2352,D_psicose,bmse000020,5,74.437,5.54
2353,D_psicose,bmse000020,6,73.7152,3.61
2354,D_psicose,bmse000020,7,73.0555,10.59
2355,D_psicose,bmse000020,8,73.0326,11.16
2356,D_psicose,bmse000020,9,72.9119,5.49
2357,D_psicose,bmse000020,10,71.7174,6.08
2358,D_psicose,bmse000020,11,68.562,7.08
2359,D_psicose,bmse000020,12,68.1859,7.9
2360,D_psicose,bmse000020,13,67.7838,6.98
2361,D_psicose,bmse000020,14,66.8844,6.45
2362,D_psicose,bmse000020,15,66.6778,4.36
2363,D_psicose,bmse000020,16,65.9583,9.93
2364,D_psicose,bmse000020,17,65.7568,6.2
2365,D_psicose,bmse000020,18,65.5148,3.26
2366,D_psicose,bmse000020,19,65.0727,3.8
2367,D_psicose,bmse000020,20,64.029,7.13
2368,D_psicose,bmse000020,21,60.6736,5.34
2369,D_sorbose,bmse000022,1,100.4423,2.8
2370,D_sorbose,bmse000022,2,76.5308,8.63
2371,D_sorbose,bmse000022,3,73.0506,8.72
2372,D_sorbose,bmse000022,4,72.1197,12.5
2373,D_sorbose,bmse000022,5,66.1492,9.88
2374,D_sorbose,bmse000022,6,64.4696,11
2375,D_tagatose,bmse000023,1,100.9098,3.49
2376,D_tagatose,bmse000023,2,73.6229,12.5
2377,D_tagatose,bmse000023,3,72.484,10.38
2378,D_tagatose,bmse000023,4,71.9743,2.2
2379,D_tagatose,bmse000023,5,69.0595,10.53
2380,D_tagatose,bmse000023,6,66.5918,10.06
2381,D_tagatose,bmse000023,7,66.403,1.92
2382,D_tagatose,bmse000023,8,66.1917,1.73
2383,D_tagatose,bmse000023,9,64.9495,7.98
2384,D_tagatose,bmse000023,10,62.8345,1.69
2385,D_xylose,bmse000026,1,99.3304,11.78
2386,D_xylose,bmse000026,2,94.9405,6.48
2387,D_xylose,bmse000026,3,78.526,10.11
2388,D_xylose,bmse000026,4,76.7418,12.5
2389,D_xylose,bmse000026,5,75.5229,5.77
2390,D_xylose,bmse000026,6,74.1661,6.42
2391,D_xylose,bmse000026,7,72.1118,6.54
2392,D_xylose,bmse000026,8,71.9378,12.28
2393,D_xylose,bmse000026,9,67.899,10.25
2394,D_xylose,bmse000026,10,63.6456,5.21
2395,alpha_ketoglutaric_acid,bmse000064,1,184.1528,2.07
2396,alpha_ketoglutaric_acid,bmse000064,2,38.5723,12.5
2397,alpha_ketoglutaric_acid,bmse000064,3,33.3219,9.83
2398,alpha_lactose,bmse000065,1,105.6382,8.25
2399,alpha_lactose,bmse000065,2,98.4725,7.33
2400,alpha_lactose,bmse000065,3,94.539,4.05
2401,alpha_lactose,bmse000065,4,81.1636,3.89
2402,alpha_lactose,bmse000065,5,81.0377,6.84
2403,alpha_lactose,bmse000065,6,78.0734,12.5
2404,alpha_lactose,bmse000065,7,77.522,7.34
2405,alpha_lactose,bmse000065,8,77.0808,7.32
2406,alpha_lactose,bmse000065,9,76.5296,7.28
2407,alpha_lactose,bmse000065,10,75.2407,11.24
2408,alpha_lactose,bmse000065,11,74.1286,4.28
2409,alpha_lactose,bmse000065,12,73.8715,4.75
2410,alpha_lactose,bmse000065,13,73.6835,9.31
2411,alpha_lactose,bmse000065,14,72.8271,3.84
2412,alpha_lactose,bmse000065,15,71.272,8.2
2413,alpha_lactose,bmse000065,16,63.7524,7.27
2414,alpha_lactose,bmse000065,17,62.8108,4.95
2415,alpha_lactose,bmse000065,18,62.6765,3.11
2416,4_aminobenzoic_acid,bmse000066,1,133.5667,12.5
2417,4_aminobenzoic_acid,bmse000066,2,128.9442,1.1
2418,4_aminobenzoic_acid,bmse000066,3,117.8119,11.36
2419,AMP,bmse000005,1,158.1415,3.52
2420,AMP,bmse000005,2,155.4083,9.41
2421,AMP,bmse000005,3,151.6344,4.45
2422,AMP,bmse000005,4,142.8031,7.78
2423,AMP,bmse000005,5,121.1486,2.72
2424,AMP,bmse000005,6,89.5563,11.53
2427,AMP,bmse000005,9,77.2299,12.5
2428,AMP,bmse000005,10,73.4036,12.24
2429,AMP,bmse000005,11,66.25,4.83
2430,AMP,bmse000005,12,66.2055,5.13
2431,anthranilic_acid,bmse000067,1,150.2702,2.1
2432,anthranilic_acid,bmse000067,2,134.7227,10.28
2433,anthranilic_acid,bmse000067,3,133.6538,12.5
2434,anthranilic_acid,bmse000067,4,123.4956,1.99
2435,anthranilic_acid,bmse000067,5,120.6937,11.1
2436,anthranilic_acid,bmse000067,6,120.3926,11.42
2437,L_arabitol,bmse000068,1,73.609,12.5
2438,L_arabitol,bmse000068,2,73.1399,11.93
2439,L_arabitol,bmse000068,3,72.9514,12.49
2440,L_arabitol,bmse000068,4,65.7296,10.81
2441,L_arabitol,bmse000068,5,65.6383,9.86
2442,ATP,bmse000006,1,158.2621,4.05
2443,ATP,bmse000006,2,155.4997,9.32
2444,ATP,bmse000006,3,151.7848,3.62
2445,ATP,bmse000006,4,142.6155,7.12
2446,ATP,bmse000006,5,121.2616,2.51
2447,ATP,bmse000006,6,89.3634,10.94
2448,ATP,bmse000006,7,86.7432,5.75
2449,ATP,bmse000006,8,86.6543,5.65
2450,ATP,bmse000006,9,76.9481,12.5
2451,ATP,bmse000006,10,72.9427,11.75
2452,ATP,bmse000006,11,67.8017,4.32
2453,ATP,bmse000006,12,67.7473,4.42
2454,betaine,bmse000069,1,171.9654,1.21
2455,betaine,bmse000069,2,68.893,3.07
2456,betaine,bmse000069,3,68.8587,3.29
2457,betaine,bmse000069,4,68.8297,3.27
2458,betaine,bmse000069,5,56.0898,10.14
2459,betaine,bmse000069,6,56.0509,12.5
2460,betaine,bmse000069,7,56.0118,10.21
2461,betaine_aldehyde,bmse000070,1,87.5694,9.74
2462,betaine_aldehyde,bmse000070,2,56.9587,10.45
2463,betaine_aldehyde,bmse000070,3,56.9195,12.5
2464,betaine_aldehyde,bmse000070,4,56.8886,11.17
2465,cadaverine,bmse000072,1,41.871,11.66
2466,cadaverine,bmse000072,2,28.9617,12.5
2467,cadaverine,bmse000072,3,25.3762,5.64
2468,cAMP,bmse000071,1,158.0318,4.3
2469,cAMP,bmse000071,2,155.524,10.63
2470,cAMP,bmse000071,3,150.7719,4.62
2471,cAMP,bmse000071,4,142.3466,9.68
2472,cAMP,bmse000071,5,121.2041,3.29
2473,cAMP,bmse000071,6,94.2109,12.5
2474,cAMP,bmse000071,7,80.0206,6.2
2475,cAMP,bmse000071,8,79.9754,6.98
2476,cAMP,bmse000071,9,75.0214,7.05
2477,cAMP,bmse000071,10,74.9418,7.25
2478,cAMP,bmse000071,11,74.463,6.46
2479,cAMP,bmse000071,12,70.0836,5.58
2480,cAMP,bmse000071,13,70.0142,5.05
2481,L_canavanine,bmse000073,1,177.0117,3.9
2482,L_canavanine,bmse000073,2,161.2671,2
2483,L_canavanine,bmse000073,3,74.5403,11.99
2484,L_canavanine,bmse000073,4,55.2855,12.02
2485,L_canavanine,bmse000073,5,31.809,12.5
2486,D_carnitine,bmse000074,1,180.7779,2.25
2487,D_carnitine,bmse000074,2,72.8193,4.47
2488,D_carnitine,bmse000074,3,72.7942,3.83
2489,D_carnitine,bmse000074,4,66.791,9.37
2490,D_carnitine,bmse000074,5,56.8328,10.48
2491,D_carnitine,bmse000074,6,56.7941,12.5
2492,D_carnitine,bmse000074,7,56.7554,10.44
2493,D_carnitine,bmse000074,8,45.6802,6.79
2494,chorismic_acid,bmse000075,1,155.9825,4.51
2495,chorismic_acid,bmse000075,2,137.1007,3.63
2496,chorismic_acid,bmse000075,3,132.6303,11.7
2497,chorismic_acid,bmse000075,4,131.7674,9.54
2498,chorismic_acid,bmse000075,5,126.7891,9.9
2499,chorismic_acid,bmse000075,6,95.5643,8.84
2500,chorismic_acid,bmse000075,7,82.3153,12.5
2501,chorismic_acid,bmse000075,8,72.8256,12.45
2502,citrate,bmse000076,1,184.7215,1.13
2503,citrate,bmse000076,2,182.0353,2.11
2504,citrate,bmse000076,3,77.9249,1.44
2505,citrate,bmse000076,4,48.4023,12.5
2506,coumarin,bmse000077,1,163.4646,0.72
2507,coumarin,bmse000077,2,156.7265,1.12
2508,coumarin,bmse000077,3,146.1206,6.54
2509,coumarin,bmse000077,4,134.5133,12.5
2510,coumarin,bmse000077,5,130.5441,8.87
2511,coumarin,bmse000077,6,127.1083,11.93
2512,coumarin,bmse000077,7,121.5098,1.08
2513,coumarin,bmse000077,8,119.5804,6.82
2514,coumarin,bmse000077,9,119.3784,7.14
2515,creatine,bmse000078,1,177.3494,1.87
2516,creatine,bmse000078,2,56.549,12.5
2517,creatine,bmse000078,3,39.6249,7.16
2518,creatine_phosphate,bmse000079,1,177.5977,1.69
2519,creatine_phosphate,bmse000079,2,56.5658,12.5
2520,creatine_phosphate,bmse000079,3,39.5149,7.02
2521,dehydro_proline,bmse000080,1,174.9837,1.15
2522,dehydro_proline,bmse000080,2,128.3998,11.9
2523,dehydro_proline,bmse000080,3,128.1163,10.28
2524,dehydro_proline,bmse000080,4,71.129,8.12
2525,dehydro_proline,bmse000080,5,55.1054,12.5
2526,D_3_phosphoglyceric_acid,bmse000007,1,181.5589,4.18
2527,D_3_phosphoglyceric_acid,bmse000007,2,75.6758,11.64
2528,D_3_phosphoglyceric_acid,bmse000007,3,75.5997,9.71
2529,D_3_phosphoglyceric_acid,bmse000007,4,69.5144,10.45
2530,D_3_phosphoglyceric_acid,bmse000007,5,69.4639,12.5
2531,D_fructose_1_6_bisphosphate,bmse000011,1,107.7441,1.24
2532,D_fructose_1_6_bisphosphate,bmse000011,2,107.6859,1.45
2533,D_fructose_1_6_bisphosphate,bmse000011,3,103.7998,2.79
2534,D_fructose_1_6_bisphosphate,bmse000011,4,103.7169,2.58
2535,D_fructose_1_6_bisphosphate,bmse000011,5,84.7524,1.84
2536,D_fructose_1_6_bisphosphate,bmse000011,6,84.6734,1.8
2537,D_fructose_1_6_bisphosphate,bmse000011,7,84.1618,3.88
2538,D_fructose_1_6_bisphosphate,bmse000011,8,82.4331,4.33
2539,D_fructose_1_6_bisphosphate,bmse000011,9,82.3517,4.54
2540,D_fructose_1_6_bisphosphate,bmse000011,10,79.436,3.58
2541,D_fructose_1_6_bisphosphate,bmse000011,11,78.4857,12.5
2542,D_fructose_1_6_bisphosphate,bmse000011,12,76.8309,8.44
2543,D_fructose_1_6_bisphosphate,bmse000011,13,68.3534,4.96
2544,D_fructose_1_6_bisphosphate,bmse000011,14,67.3714,1.78
2545,D_fructose_1_6_bisphosphate,bmse000011,15,67.0519,6.07
2546,D_fructose_1_6_bisphosphate,bmse000011,16,67.0078,5.96
2547,D_fructose_1_6_bisphosphate,bmse000011,17,66.9036,2.2
2548,D_fructose_1_6_bisphosphate,bmse000011,18,66.8591,2.2
2549,D_fructose_6_phosphate,bmse000012,1,107.1352,1.18
2550,D_fructose_6_phosphate,bmse000012,2,104.1799,5.96
2551,D_fructose_6_phosphate,bmse000012,3,84.4579,2.69
2552,D_fructose_6_phosphate,bmse000012,4,83.1582,1.38
2553,D_fructose_6_phosphate,bmse000012,5,83.081,1.12
2554,D_fructose_6_phosphate,bmse000012,6,82.6592,6.1
2555,D_fructose_6_phosphate,bmse000012,7,82.5783,5.8
2556,D_fructose_6_phosphate,bmse000012,8,78.536,2.85
2557,D_fructose_6_phosphate,bmse000012,9,77.8697,12.5
2558,D_fructose_6_phosphate,bmse000012,10,77.0604,11.73
2559,D_fructose_6_phosphate,bmse000012,11,67.0498,5.65
2560,D_fructose_6_phosphate,bmse000012,12,67.0041,5.36
2561,D_fructose_6_phosphate,bmse000012,13,66.1661,1.42
2562,D_fructose_6_phosphate,bmse000012,14,65.5593,2.38
2563,D_fructose_6_phosphate,bmse000012,15,65.331,9.82
2564,D_glucosamine,bmse000014,1,96.4205,8.72
2565,D_glucosamine,bmse000014,2,92.2506,9.77
2566,D_glucosamine,bmse000014,3,78.8513,9.64
2567,D_glucosamine,bmse000014,4,75.5831,6.35
2568,D_glucosamine,bmse000014,5,74.3295,12.27
2569,D_glucosamine,bmse000014,6,72.756,10.13
2570,D_glucosamine,bmse000014,7,72.4003,6.63
2571,D_glucosamine,bmse000014,8,72.3164,12.5
2572,D_glucosamine,bmse000014,9,63.2588,6.09
2573,D_glucosamine,bmse000014,10,63.0618,8.38
2574,D_glucosamine,bmse000014,11,59.6201,8.02
2575,D_glucosamine,bmse000014,12,57.0959,11.82
2576,D_glucose_6_phosphate,bmse000016,1,98.7788,8.55
2577,D_glucose_6_phosphate,bmse000016,2,94.9276,4.89
2578,D_glucose_6_phosphate,bmse000016,3,78.1764,4.82
2579,D_glucose_6_phosphate,bmse000016,4,78.106,3.56
2580,D_glucose_6_phosphate,bmse000016,5,77.9455,6.69
2581,D_glucose_6_phosphate,bmse000016,6,76.9831,9.41
2582,D_glucose_6_phosphate,bmse000016,7,75.0341,3.92
2583,D_glucose_6_phosphate,bmse000016,8,74.314,4.27
2584,D_glucose_6_phosphate,bmse000016,9,73.8171,2.12
2585,D_glucose_6_phosphate,bmse000016,10,73.7484,2.83
2586,D_glucose_6_phosphate,bmse000016,11,71.7635,12.5
2587,D_glucose_6_phosphate,bmse000016,12,65.5737,3.84
2588,D_glucose_6_phosphate,bmse000016,13,65.5308,3.24
2589,D_glucose_6_phosphate,bmse000016,14,65.4799,2.31
2590,D_maltose,bmse000017,1,102.3099,6.16
2591,D_maltose,bmse000017,2,102.2275,9.38
2592,D_maltose,bmse000017,3,98.4704,10.34
2593,D_maltose,bmse000017,4,94.5912,6.33
2594,D_maltose,bmse000017,5,79.5285,5.17
2595,D_maltose,bmse000017,6,79.3217,8.47
2596,D_maltose,bmse000017,7,78.9276,9.15
2597,D_maltose,bmse000017,8,77.2648,10.83
2598,D_maltose,bmse000017,9,76.7045,8.61
2599,D_maltose,bmse000017,10,75.9471,5.48
2600,D_maltose,bmse000017,11,75.5584,7.84
2601,D_maltose,bmse000017,12,75.5345,10.55
2602,D_maltose,bmse000017,13,75.3859,9.92
2603,D_maltose,bmse000017,14,74.4492,5.89
2604,D_maltose,bmse000017,15,74.3558,8.17
2605,D_maltose,bmse000017,16,73.9924,5.77
2606,D_maltose,bmse000017,17,72.6486,6.16
2607,D_maltose,bmse000017,18,72.0198,8.44
2608,D_maltose,bmse000017,19,63.4361,6.09
2609,D_maltose,bmse000017,20,63.2871,4.41
2610,D_maltose,bmse000017,21,63.1596,12.5
2611,D_ornithine,bmse000019,1,56.8208,12.5
2612,D_ornithine,bmse000019,2,41.5722,10.12
2613,D_ornithine,bmse000019,3,30.1825,12.11
2614,D_ornithine,bmse000019,4,25.4604,8.77
2615,D_threo_isocitric_acid,bmse000025,1,183.683,6.79
2616,D_threo_isocitric_acid,bmse000025,2,182.958,3.11
2617,D_threo_isocitric_acid,bmse000025,3,76.3916,11.16
2618,D_threo_isocitric_acid,bmse000025,4,51.8047,12.5
2619,D_threo_isocitric_acid,bmse000025,5,40.3285,10.98
2620,D_xylulose,bmse000027,1,108.4502,1.01
2621,D_xylulose,bmse000027,2,105.6511,3.08
2622,D_xylulose,bmse000027,3,83.18,3.1
2623,D_xylulose,bmse000027,4,78.9065,11.61
2624,D_xylulose,bmse000027,5,78.5426,3.96
2625,D_xylulose,bmse000027,6,78.011,2.93
2626,D_xylulose,bmse000027,7,77.5565,9.89
2627,D_xylulose,bmse000027,8,74.6749,2.45
2628,D_xylulose,bmse000027,9,74.6163,2.47
2629,D_xylulose,bmse000027,10,72.5201,10.76
2630,D_xylulose,bmse000027,11,68.7345,3.03
2631,D_xylulose,bmse000027,12,65.6799,12.5
2632,D_xylulose,bmse000027,13,65.1062,3.07
2633,D_xylulose,bmse000027,14,64.5556,3.06
2634,fumaric_acid,bmse000083,1,177.424,1.91
2635,fumaric_acid,bmse000083,2,138.042,12.5
2636,gluconic_acid,bmse000084,1,181.3386,1.89
2637,gluconic_acid,bmse000084,2,76.7743,10.33
2638,gluconic_acid,bmse000084,3,75.2613,9.8
2639,gluconic_acid,bmse000084,4,73.8705,12.36
2640,gluconic_acid,bmse000084,5,73.6525,10.2
2641,gluconic_acid,bmse000084,6,65.308,12.5
2642,alpha_D_glucose_1_phosphate,bmse000086,1,96.3867,5.99
2643,alpha_D_glucose_1_phosphate,bmse000086,2,96.3335,6.2
2644,alpha_D_glucose_1_phosphate,bmse000086,3,75.8391,10.34
2645,alpha_D_glucose_1_phosphate,bmse000086,4,74.9392,5.94
2646,alpha_D_glucose_1_phosphate,bmse000086,5,74.871,6.51
2647,alpha_D_glucose_1_phosphate,bmse000086,6,74.7037,12.5
2648,alpha_D_glucose_1_phosphate,bmse000086,7,72.4482,11.49
2649,alpha_D_glucose_1_phosphate,bmse000086,8,63.3999,9.58
2650,alpha_D_glucose_1_6_bisphosphate,bmse000087,1,96.6014,6.13
2651,alpha_D_glucose_1_6_bisphosphate,bmse000087,2,96.5465,7.96
2652,alpha_D_glucose_1_6_bisphosphate,bmse000087,3,75.3449,11.03
2653,alpha_D_glucose_1_6_bisphosphate,bmse000087,4,75.0612,6.57
2654,alpha_D_glucose_1_6_bisphosphate,bmse000087,5,74.9873,7.68
2655,alpha_D_glucose_1_6_bisphosphate,bmse000087,6,74.3802,6.65
2656,alpha_D_glucose_1_6_bisphosphate,bmse000087,7,74.317,7.4
2657,alpha_D_glucose_1_6_bisphosphate,bmse000087,8,71.5781,12.5
2658,alpha_D_glucose_1_6_bisphosphate,bmse000087,9,65.3993,4.84
2659,alpha_D_glucose_1_6_bisphosphate,bmse000087,10,65.3536,5.06
2660,glycine,bmse000089,1,175.1557,1.97
2661,glycine,bmse000089,2,44.1252,12.5
2662,guanine,bmse000090,1,170.3632,9.04
2663,guanine,bmse000090,2,163.6535,12.5
2664,guanine,bmse000090,3,161.8796,11.9
2665,guanine,bmse000090,4,120.9619,9.12
2666,guanosine,bmse000091,1,170.5025,1.71
2667,guanosine,bmse000091,2,163.3657,1.47
2668,guanosine,bmse000091,3,153.5645,2.67
2669,guanosine,bmse000091,4,139.3656,9.14
2670,guanosine,bmse000091,5,121.0084,1.46
2671,guanosine,bmse000091,6,90.841,11.95
2672,guanosine,bmse000091,7,88.5938,12.21
2673,guanosine,bmse000091,8,75.8197,12.21
2674,guanosine,bmse000091,9,73.7609,12.5
2675,guanosine,bmse000091,10,64.5009,9.96
2676,4_hydroxybenzoic_acid,bmse000092,1,161.2131,1.26
2677,4_hydroxybenzoic_acid,bmse000092,2,133.942,12.5
2678,4_hydroxybenzoic_acid,bmse000092,3,130.8287,1.62
2679,4_hydroxybenzoic_acid,bmse000092,4,117.592,10.22
2680,trans_3_hydroxycinnamic_acid,bmse000093,1,178.4192,2.27
2681,trans_3_hydroxycinnamic_acid,bmse000093,2,158.5422,3.6
2682,trans_3_hydroxycinnamic_acid,bmse000093,3,143.1901,8.95
2683,trans_3_hydroxycinnamic_acid,bmse000093,4,139.6042,3.48
2684,trans_3_hydroxycinnamic_acid,bmse000093,5,133.0298,11.46
2685,trans_3_hydroxycinnamic_acid,bmse000093,6,127.174,8.41
2686,trans_3_hydroxycinnamic_acid,bmse000093,7,122.9365,12.5
2687,trans_3_hydroxycinnamic_acid,bmse000093,8,119.3249,10.36
2688,trans_3_hydroxycinnamic_acid,bmse000093,9,116.6163,10.36
2689,hypoxanthine,bmse000094,1,164.9523,1.17
2690,hypoxanthine,bmse000094,2,159.7264,2.08
2691,hypoxanthine,bmse000094,3,150.37,10.69
2692,hypoxanthine,bmse000094,4,149.1756,12.5
2693,hypoxanthine,bmse000094,5,123.2364,1.06
2694,imidazole,bmse000096,1,137.7708,3.03
2695,imidazole,bmse000096,2,123.4233,12.5
2696,indole,bmse000097,1,138.3981,1.25
2697,indole,bmse000097,2,130.4755,1.24
2698,indole,bmse000097,3,126.7831,8.65
2699,indole,bmse000097,4,124.6229,12.5
2700,indole,bmse000097,5,123.3758,10.66
2701,indole,bmse000097,6,122.4493,10.48
2702,indole,bmse000097,7,113.6756,9.74
2703,indole,bmse000097,8,105.2378,11.58
2704,inosine,bmse000098,1,151.078,2.3
2705,inosine,bmse000098,2,148.9185,8.98
2706,inosine,bmse000098,3,142.8874,7.4
2707,inosine,bmse000098,4,126.8411,1.65
2708,inosine,bmse000098,5,91.1086,8.08
2709,inosine,bmse000098,6,88.2694,11.43
2710,inosine,bmse000098,7,76.7759,12.5
2711,inosine,bmse000098,8,73.0828,10.32
2712,inosine,bmse000098,9,64.0173,8.72
2713,i_erythritol,bmse000095,1,74.6148,12.5
2714,i_erythritol,bmse000095,2,65.3077,8.45
2715,L_alanine,bmse000028,1,178.5574,1.16
2716,L_alanine,bmse000028,2,53.2035,9.48
2717,L_alanine,bmse000028,3,18.8465,12.5
2718,L_arginine,bmse000029,1,177.2125,3.21
2719,L_arginine,bmse000029,2,57.0216,10.14
2720,L_arginine,bmse000029,3,43.2011,12.5
2721,L_arginine,bmse000029,4,30.2885,11.19
2722,L_arginine,bmse000029,5,26.5758,9.54
2723,L_asparagine,bmse000030,1,177.1771,1.47
2724,L_asparagine,bmse000030,2,176.209,1.94
2725,L_asparagine,bmse000030,3,53.9932,12.5
2726,L_asparagine,bmse000030,4,37.2983,11.26
2727,L_aspartic_acid,bmse000031,1,180.297,3.41
2728,L_aspartic_acid,bmse000031,2,176.9954,2.67
2729,L_aspartic_acid,bmse000031,3,54.9142,11.68
2730,L_aspartic_acid,bmse000031,4,39.2604,12.5
2731,L_citrulline,bmse000032,1,177.3878,3.15
2732,L_citrulline,bmse000032,2,164.2805,1.25
2733,L_citrulline,bmse000032,3,57.2048,11.84
2734,L_citrulline,bmse000032,4,41.9551,1.88
2735,L_citrulline,bmse000032,5,30.4444,12.5
2736,L_citrulline,bmse000032,6,27.6682,7.93
2737,L_cystathionine,bmse000033,1,56.4392,8
2738,L_cystathionine,bmse000033,2,56.2614,10.81
2739,L_cystathionine,bmse000033,3,34.8058,9.84
2740,L_cystathionine,bmse000033,4,32.8913,9.2
2741,L_cystathionine,bmse000033,5,29.7625,12.5
2742,L_cysteine,bmse000034,1,58.731,9.48
2743,L_cysteine,bmse000034,2,27.687,12.5
2744,L_cystine,bmse000035,1,183.331,3.03
2745,L_cystine,bmse000035,2,57.5783,12.5
2746,L_cystine,bmse000035,3,46.0281,10.99
2747,L_fucose,bmse000036,1,98.936,11.78
2748,L_fucose,bmse000036,2,94.9206,4.76
2749,L_fucose,bmse000036,3,75.6252,9.59
2750,L_fucose,bmse000036,4,74.6014,4.86
2751,L_fucose,bmse000036,5,74.3627,10.92
2752,L_fucose,bmse000036,6,74.1543,8.8
2753,L_fucose,bmse000036,7,73.586,9.85
2754,L_fucose,bmse000036,8,71.9701,4.6
2755,L_fucose,bmse000036,9,70.7832,3.67
2756,L_fucose,bmse000036,10,69.0314,4.4
2757,L_fucose,bmse000036,11,18.2232,12.5
2758,L_glutamic_acid,bmse000037,1,184.0438,2.16
2759,L_glutamic_acid,bmse000037,2,177.297,1.79
2760,L_glutamic_acid,bmse000037,3,57.3356,12.29
2761,L_glutamic_acid,bmse000037,4,36.1753,9.58
2762,L_glutamic_acid,bmse000037,5,29.6742,12.5
2763,L_glutamine,bmse000038,1,180.3694,1.86
2764,L_glutamine,bmse000038,2,176.8264,2.47
2765,L_glutamine,bmse000038,3,56.8326,9.96
2766,L_glutamine,bmse000038,4,33.528,10.99
2767,L_glutamine,bmse000038,5,28.9528,12.5
2768,L_histidine,bmse000039,1,176.6511,1.83
2769,L_histidine,bmse000039,2,138.9728,9.16
2770,L_histidine,bmse000039,3,134.6686,2.25
2771,L_histidine,bmse000039,4,119.5492,8.47
2772,L_histidine,bmse000039,5,57.4737,12.5
2773,L_histidine,bmse000039,6,30.7804,11.71
2774,L_homoserine,bmse000040,1,177.2374,1.7
2775,L_homoserine,bmse000040,2,61.3363,12.5
2776,L_homoserine,bmse000040,3,56.0719,8.39
2777,L_homoserine,bmse000040,4,34.8823,11.17
2778,L_isoleucine,bmse000041,1,176.9223,1.89
2779,L_isoleucine,bmse000041,2,62.2493,12.5
2780,L_isoleucine,bmse000041,3,38.5957,9.56
2781,L_isoleucine,bmse000041,4,27.1531,12.15
2782,L_isoleucine,bmse000041,5,17.3893,8.4
2783,L_isoleucine,bmse000041,6,13.8035,7.76
2784,L_leucine,bmse000042,1,178.3284,2.9
2785,L_leucine,bmse000042,2,56.1175,11.06
2786,L_leucine,bmse000042,3,42.5151,11.41
2787,L_leucine,bmse000042,4,26.8579,12.5
2788,L_leucine,bmse000042,5,24.7283,9.43
2789,L_leucine,bmse000042,6,23.5808,12.45
2790,L_lysine,bmse000043,1,177.4077,2.58
2791,L_lysine,bmse000043,2,57.1969,9.77
2792,L_lysine,bmse000043,3,41.7595,10.04
2793,L_lysine,bmse000043,4,32.6068,10.59
2794,L_lysine,bmse000043,5,29.1125,12.5
2795,L_lysine,bmse000043,6,24.1325,10.95
2796,malic_acid,bmse000046,1,183.7669,2.25
2797,malic_acid,bmse000046,2,182.5706,2
2798,malic_acid,bmse000046,3,73.0495,9.52
2799,malic_acid,bmse000046,4,45.3174,12.5
2800,L_methionine,bmse000044,1,177.0256,1.63
2801,L_methionine,bmse000044,2,56.5949,11.7
2802,L_methionine,bmse000044,3,32.3948,11.02
2803,L_methionine,bmse000044,4,31.5117,12.5
2804,L_methionine,bmse000044,5,16.6207,5.66
2805,L_phenylalanine,bmse000045,1,137.8245,2.32
2806,L_phenylalanine,bmse000045,2,132.08,12.5
2807,L_phenylalanine,bmse000045,3,131.8234,9.6
2808,L_phenylalanine,bmse000045,4,130.4017,5.37
2809,L_phenylalanine,bmse000045,5,58.7477,5.25
2810,L_phenylalanine,bmse000045,6,39.0993,5.55
2811,L_proline,bmse000047,1,177.4144,1.3
2812,L_proline,bmse000047,2,63.9229,11.05
2813,L_proline,bmse000047,3,48.7631,9.32
2814,L_proline,bmse000047,4,31.6863,12.5
2815,L_proline,bmse000047,5,26.4548,9.6
2816,L_serine,bmse000048,1,62.8928,12.5
2817,L_serine,bmse000048,2,59.0815,8.62
2818,L_threonine,bmse000049,1,175.6411,1.16
2819,L_threonine,bmse000049,2,68.6408,12.03
2820,L_threonine,bmse000049,3,63.1368,12.5
2821,L_threonine,bmse000049,4,22.1352,12.2
2822,L_tryptophan,bmse000050,1,177.255,2.71
2823,L_tryptophan,bmse000050,2,139.0401,1.59
2824,L_tryptophan,bmse000050,3,129.3512,1.89
2825,L_tryptophan,bmse000050,4,127.7463,10.84
2826,L_tryptophan,bmse000050,5,124.8346,12.27
2827,L_tryptophan,bmse000050,6,122.1638,12.5
2828,L_tryptophan,bmse000050,7,121.1566,12.38
2829,L_tryptophan,bmse000050,8,114.6587,10.23
2830,L_tryptophan,bmse000050,9,110.1782,4.04
2831,L_tryptophan,bmse000050,10,57.7537,11.28
2832,L_tryptophan,bmse000050,11,29.1016,11.57
2833,L_tyrosine,bmse000051,1,184.1279,1.35
2834,L_tyrosine,bmse000051,2,163.7886,1.13
2835,L_tyrosine,bmse000051,3,133.3998,10.61
2836,L_tyrosine,bmse000051,4,128.0459,2.21
2837,L_tyrosine,bmse000051,5,120.2955,12.5
2838,L_tyrosine,bmse000051,6,60.0412,5.12
2839,L_tyrosine,bmse000051,7,41.8233,4.45
2840,L_valine,bmse000052,1,63.0706,10.1
2841,L_valine,bmse000052,2,31.7958,11.73
2842,L_valine,bmse000052,3,20.6547,12.29
2843,L_valine,bmse000052,4,19.3267,12.5
2844,D_mannitol,bmse000099,1,73.4901,12.5
2845,D_mannitol,bmse000099,2,71.9258,8.62
2846,D_mannitol,bmse000099,3,65.9197,11.81
2847,meso_erythritol,bmse000100,1,74.6159,12.5
2848,meso_erythritol,bmse000100,2,65.309,8.37
2849,methyl_oxobutanoic_acid,bmse000101,1,39.7045,5.48
2850,methyl_oxobutanoic_acid,bmse000101,2,19.0607,12.5
2851,muco_inositol,bmse000102,1,75.0137,6.8
2852,muco_inositol,bmse000102,2,72.8728,12.5
2853,myo_inositol,bmse000103,1,77.0519,5.9
2854,myo_inositol,bmse000103,2,75.1054,12.5
2855,myo_inositol,bmse000103,3,74.8867,4.4
2856,myo_inositol,bmse000103,4,73.8316,10.8
2857,NAD,bmse000053,1,167.8653,3.69
2858,NAD,bmse000053,2,158.0181,4.21
2859,NAD,bmse000053,3,155.468,8.5
2860,NAD,bmse000053,4,151.5966,5.8
2861,NAD,bmse000053,5,148.4441,6.77
2862,NAD,bmse000053,6,145.0618,5.64
2863,NAD,bmse000053,7,142.6338,5.11
2864,NAD,bmse000053,8,142.3914,7.13
2865,NAD,bmse000053,9,136.3277,6.28
2866,NAD,bmse000053,10,131.3233,7.72
2867,NAD,bmse000053,11,121.0165,3.15
2868,NAD,bmse000053,12,102.7367,9.04
2869,NAD,bmse000053,13,89.7361,5.45
2870,NAD,bmse000053,14,89.6488,5.15
2871,NAD,bmse000053,15,89.3547,10.54
2872,NAD,bmse000053,16,86.5859,5.25
2873,NAD,bmse000053,17,86.4979,5.24
2874,NAD,bmse000053,18,80.3065,12.5
2875,NAD,bmse000053,19,76.6526,12.24
2876,NAD,bmse000053,20,73.2929,11.75
2877,NAD,bmse000053,21,73.0829,11.48
2878,NAD,bmse000053,22,68.1579,4.36
2879,NAD,bmse000053,23,68.1059,4.27
2880,NAD,bmse000053,24,67.6491,4.7
2881,NAD,bmse000053,25,67.5973,4.24
2882,NADH,bmse000054,1,175.3474,5.48
2883,NADH,bmse000054,2,158.1968,4.24
2884,NADH,bmse000054,3,155.4171,8.83
2885,NADH,bmse000054,4,151.5844,5.71
2886,NADH,bmse000054,5,142.3515,6.8
2887,NADH,bmse000054,6,141.1257,9.71
2888,NADH,bmse000054,7,126.4094,7.79
2889,NADH,bmse000054,8,121.2963,4.16
2890,NADH,bmse000054,9,108.0387,9.52
2891,NADH,bmse000054,10,102.5371,7.01
2892,NADH,bmse000054,11,97.7448,9.22
2893,NADH,bmse000054,12,89.7936,11.06
2894,NADH,bmse000054,13,86.3582,5.51
2895,NADH,bmse000054,14,85.0981,5.6
2896,NADH,bmse000054,15,77.2518,12.23
2897,NADH,bmse000054,16,73.4643,12.14
2898,NADH,bmse000054,17,73.2824,12.5
2899,NADH,bmse000054,18,72.9239,9.04
2900,NADH,bmse000054,19,68.6321,4.65
2901,NADH,bmse000054,20,67.8556,4.52
2902,NADH,bmse000054,21,24.5551,8.23
2903,NADH,bmse000054,22,19.5029,3.45
2904,NADPH,bmse000055,1,175.4549,3.91
2905,NADPH,bmse000055,2,158.2562,4.4
2906,NADPH,bmse000055,3,155.3726,8.4
2907,NADPH,bmse000055,4,151.6612,4.78
2908,NADPH,bmse000055,5,142.7666,6.52
2909,NADPH,bmse000055,6,141.0746,8.37
2910,NADPH,bmse000055,7,126.4637,8.6
2911,NADPH,bmse000055,8,108.0154,8.41
2912,NADPH,bmse000055,9,102.5834,6.37
2913,NADPH,bmse000055,10,97.6847,9.4
2914,NADPH,bmse000055,11,89.5671,4.71
2915,NADPH,bmse000055,12,89.4832,4.7
2916,NADPH,bmse000055,13,85.6232,4.52
2917,NADPH,bmse000055,14,85.136,4.45
2918,NADPH,bmse000055,15,79.2632,4.94
2919,NADPH,bmse000055,16,73.4756,12.5
2920,NADPH,bmse000055,17,73.324,11.5
2921,NADPH,bmse000055,18,72.7309,8.21
2922,NADPH,bmse000055,19,68.5416,4.39
2923,NADPH,bmse000055,20,67.9571,5.25
2924,NADPH,bmse000055,21,24.6213,6.74
2925,niacin,bmse000104,1,176.0593,0.88
2926,niacin,bmse000104,2,153.1473,12.5
2927,niacin,bmse000104,3,151.7346,9.43
2928,niacin,bmse000104,4,140.3918,11.16
2929,niacin,bmse000104,5,135.0395,2.37
2930,niacin,bmse000104,6,126.6461,10.94
2931,nicotine,bmse000105,1,152.9553,11.86
2932,nicotine,bmse000105,2,151.8079,8.39
2933,nicotine,bmse000105,3,139.9786,11.24
2934,nicotine,bmse000105,4,132.2848,2.82
2935,nicotine,bmse000105,5,127.6138,11.08
2936,nicotine,bmse000105,6,72.3903,8.23
2937,nicotine,bmse000105,7,58.7754,9.8
2938,nicotine,bmse000105,8,40.9138,11.41
2939,nicotine,bmse000105,9,33.0757,8.96
2940,nicotine,bmse000105,10,24.2203,12.5
2941,N_acetylneuraminic_acid,bmse000057,1,179.4931,2.99
2942,N_acetylneuraminic_acid,bmse000057,2,177.4691,5.36
2943,N_acetylneuraminic_acid,bmse000057,3,99.1066,6.81
2944,N_acetylneuraminic_acid,bmse000057,4,73.0136,10.35
2945,N_acetylneuraminic_acid,bmse000057,5,72.9084,11.02
2946,N_acetylneuraminic_acid,bmse000057,6,71.2583,9.48
2947,N_acetylneuraminic_acid,bmse000057,7,70.0063,10.08
2948,N_acetylneuraminic_acid,bmse000057,8,66.0063,10.13
2949,N_acetylneuraminic_acid,bmse000057,9,54.9693,12.5
2950,N_acetylneuraminic_acid,bmse000057,10,42.0905,8.84
2951,N_acetylneuraminic_acid,bmse000057,11,24.8195,11.34
2952,N_acetyl_D_mannosamine,bmse000056,1,178.4248,1.93
2953,N_acetyl_D_mannosamine,bmse000056,2,177.4968,2.6
2954,N_acetyl_D_mannosamine,bmse000056,3,95.8209,8.31
2955,N_acetyl_D_mannosamine,bmse000056,4,95.688,9.13
2956,N_acetyl_D_mannosamine,bmse000056,5,79.0399,10.23
2957,N_acetyl_D_mannosamine,bmse000056,6,74.7525,9.08
2958,N_acetyl_D_mannosamine,bmse000056,7,74.6939,8.91
2959,N_acetyl_D_mannosamine,bmse000056,8,71.5593,11.26
2960,N_acetyl_D_mannosamine,bmse000056,9,69.4618,11.11
2961,N_acetyl_D_mannosamine,bmse000056,10,69.1894,8.23
2962,N_acetyl_D_mannosamine,bmse000056,11,63.0714,12.5
2963,N_acetyl_D_mannosamine,bmse000056,12,56.7834,6.76
2964,N_acetyl_D_mannosamine,bmse000056,13,55.9143,11.74
2965,N_acetyl_D_mannosamine,bmse000056,14,24.7467,6.42
2966,N_acetyl_D_mannosamine,bmse000056,15,24.6103,7.83
2967,oxalate,bmse000106,1,176.1386,12.5
2968,O_succinyl_L_homoserine,bmse000058,1,183.8863,2.56
2969,O_succinyl_L_homoserine,bmse000058,2,178.3647,2.14
2970,O_succinyl_L_homoserine,bmse000058,3,176.7702,2.64
2971,O_succinyl_L_homoserine,bmse000058,4,64.4599,9.53
2972,O_succinyl_L_homoserine,bmse000058,5,55.5165,8.79
2973,O_succinyl_L_homoserine,bmse000058,6,35.6935,1.47
2974,O_succinyl_L_homoserine,bmse000058,7,34.6435,11.39
2975,O_succinyl_L_homoserine,bmse000058,8,33.1998,12.5
2976,O_succinyl_L_homoserine,bmse000058,9,32.0477,7.9
2977,phosphoenolpyruvic_acid,bmse000107,1,152.4983,4.37
2978,phosphoenolpyruvic_acid,bmse000107,2,152.4267,2.42
2979,phosphoenolpyruvic_acid,bmse000107,3,102.8677,10.91
2980,phosphoenolpyruvic_acid,bmse000107,4,102.8401,12.5
2981,prephenic_acid,bmse000108,1,134.012,12.19
2982,prephenic_acid,bmse000108,2,130.3553,12.5
2983,prephenic_acid,bmse000108,3,64.0727,7.77
2984,prephenic_acid,bmse000108,4,51.2462,2.5
2985,prephenic_acid,bmse000108,5,50.6545,5.86
2986,putrescine,bmse000109,1,41.551,11.73
2987,putrescine,bmse000109,2,26.5984,12.5
2988,pyridoxal,bmse000110,1,161.5671,1.78
2989,pyridoxal,bmse000110,2,148.0785,2.3
2990,pyridoxal,bmse000110,3,140.9568,3.28
2991,pyridoxal,bmse000110,4,139.5279,4.52
2992,pyridoxal,bmse000110,5,120.0727,6.07
2993,pyridoxal,bmse000110,6,102.0212,10.48
2994,pyridoxal,bmse000110,7,72.5072,12.5
2995,pyridoxal,bmse000110,8,17.5108,7.09
2996,pyridoxal_5_phosphate,bmse000111,1,198.7901,4.06
2997,pyridoxal_5_phosphate,bmse000111,2,154.2739,7.56
2998,pyridoxal_5_phosphate,bmse000111,3,139.0553,2.73
2999,pyridoxal_5_phosphate,bmse000111,4,138.9802,2.7
3000,pyridoxal_5_phosphate,bmse000111,5,128.8539,3.48
3001,pyridoxal_5_phosphate,bmse000111,6,126.7748,3.24
3002,pyridoxal_5_phosphate,bmse000111,7,91.4524,2.95
3003,pyridoxal_5_phosphate,bmse000111,8,64.4322,9.86
3004,pyridoxal_5_phosphate,bmse000111,9,64.3954,7.79
3005,pyridoxal_5_phosphate,bmse000111,10,18.7125,12.5
3006,pyridoxal_5_phosphate,bmse000111,11,17.3618,2.26
3007,pyridoxamine,bmse000130,1,165.5851,1.63
3008,pyridoxamine,bmse000130,2,148.1236,2.38
3009,pyridoxamine,bmse000130,3,138.2661,5.06
3010,pyridoxamine,bmse000130,4,134.7636,2.63
3011,pyridoxamine,bmse000130,5,126.6506,8.52
3012,pyridoxamine,bmse000130,6,61.8257,9.73
3013,pyridoxamine,bmse000130,7,39.2287,12.5
3014,pyridoxamine,bmse000130,8,18.1093,10.27
3015,pyridoxamine_5_phosphate,bmse000131,1,165.6996,3.42
3016,pyridoxamine_5_phosphate,bmse000131,2,147.3396,4.49
3017,pyridoxamine_5_phosphate,bmse000131,3,137.5932,4.37
3018,pyridoxamine_5_phosphate,bmse000131,4,137.5201,3.66
3019,pyridoxamine_5_phosphate,bmse000131,5,135.8735,6.9
3020,pyridoxamine_5_phosphate,bmse000131,6,125.9833,8.38
3021,pyridoxamine_5_phosphate,bmse000131,7,64.3374,8.14
3022,pyridoxamine_5_phosphate,bmse000131,8,64.2962,7.45
3023,pyridoxamine_5_phosphate,bmse000131,9,38.955,12.5
3024,pyridoxamine_5_phosphate,bmse000131,10,17.7372,11.91
3025,scyllo_inositol,bmse000113,1,76.2821,12.5
3026,shikimic_acid,bmse000114,1,178.0757,1.84
3027,shikimic_acid,bmse000114,2,138.7121,3.69
3028,shikimic_acid,bmse000114,3,133.2065,8.63
3029,shikimic_acid,bmse000114,4,74.7462,8.91
3030,shikimic_acid,bmse000114,5,69.5201,11.73
3031,shikimic_acid,bmse000114,6,68.9871,12.5
3032,shikimic_acid,bmse000114,7,35.3685,8.86
3033,D_sorbitol,bmse000115,1,75.6364,11.8
3034,D_sorbitol,bmse000115,2,73.7844,11.91
3035,D_sorbitol,bmse000115,3,73.6628,11.46
4213,CoA,bmse000271,45,41.0359,6.14
3036,D_sorbitol,bmse000115,4,72.3478,12.5
3037,D_sorbitol,bmse000115,5,65.5074,7.86
3038,D_sorbitol,bmse000115,6,65.1126,9.65
3039,spermidine,bmse000116,1,49.7685,12.5
3040,spermidine,bmse000116,2,47.255,9.6
3041,spermidine,bmse000116,3,41.5152,10.94
3042,spermidine,bmse000116,4,39.2998,10.61
3043,spermidine,bmse000116,5,26.64,10.09
3044,spermidine,bmse000116,6,26.5227,9.51
3045,spermidine,bmse000116,7,25.4882,11.59
3046,spermine,bmse000117,1,50.4642,10.16
3047,spermine,bmse000117,2,48.3361,12.5
3048,spermine,bmse000117,3,40.6981,12.1
3049,spermine,bmse000117,4,30.823,7.1
3050,spermine,bmse000117,5,27.6835,10.97
3051,succinic_acid,bmse000118,1,185.1648,1.78
3052,succinic_acid,bmse000118,2,36.8897,12.5
3053,sucrose,bmse000119,1,106.3887,6.15
3054,sucrose,bmse000119,2,94.8829,11.39
3055,sucrose,bmse000119,3,84.0666,11.94
3056,sucrose,bmse000119,4,79.0967,11.54
3057,sucrose,bmse000119,5,76.6892,12.13
3058,sucrose,bmse000119,6,75.2562,11.56
3059,sucrose,bmse000119,7,75.107,12.4
3060,sucrose,bmse000119,8,73.7694,11.94
3061,sucrose,bmse000119,9,71.9114,12.5
3062,sucrose,bmse000119,10,65.0741,11.11
3063,sucrose,bmse000119,11,64.0305,10.38
3064,sucrose,bmse000119,12,62.8059,9.96
3065,S_adenosyl_L_methionine,bmse000059,1,177.2049,1.06
3066,S_adenosyl_L_methionine,bmse000059,2,175.5374,3.57
3067,S_adenosyl_L_methionine,bmse000059,3,158.2573,4.07
3068,S_adenosyl_L_methionine,bmse000059,4,158.1473,1.23
3069,S_adenosyl_L_methionine,bmse000059,5,155.5574,8.68
3070,S_adenosyl_L_methionine,bmse000059,6,155.4871,3.71
3071,S_adenosyl_L_methionine,bmse000059,7,154.9459,1.28
3072,S_adenosyl_L_methionine,bmse000059,8,151.4918,1.4
3073,S_adenosyl_L_methionine,bmse000059,9,151.3094,4.84
3074,S_adenosyl_L_methionine,bmse000059,10,143.3489,7.53
3075,S_adenosyl_L_methionine,bmse000059,11,142.6447,2.96
3076,S_adenosyl_L_methionine,bmse000059,12,121.7408,3.05
3077,S_adenosyl_L_methionine,bmse000059,13,91.8,12.5
3078,S_adenosyl_L_methionine,bmse000059,14,90.1262,1.08
3079,S_adenosyl_L_methionine,bmse000059,15,90.0407,3.67
3080,S_adenosyl_L_methionine,bmse000059,16,85.9474,3.7
3081,S_adenosyl_L_methionine,bmse000059,17,81.4782,2.83
3082,S_adenosyl_L_methionine,bmse000059,18,80.8642,9.06
3083,S_adenosyl_L_methionine,bmse000059,19,76.1774,4.19
3084,S_adenosyl_L_methionine,bmse000059,20,75.6933,3.46
3085,S_adenosyl_L_methionine,bmse000059,21,75.4417,10.55
3086,S_adenosyl_L_methionine,bmse000059,22,75.2896,11.21
3087,S_adenosyl_L_methionine,bmse000059,23,75.2102,3.9
3088,S_adenosyl_L_methionine,bmse000059,24,75.0576,4.66
3089,S_adenosyl_L_methionine,bmse000059,25,61.3914,4.52
3090,S_adenosyl_L_methionine,bmse000059,26,60.181,3.6
3091,S_adenosyl_L_methionine,bmse000059,27,56.1328,4.11
3092,S_adenosyl_L_methionine,bmse000059,28,55.5398,11.64
3093,S_adenosyl_L_methionine,bmse000059,29,55.4732,3.85
3094,S_adenosyl_L_methionine,bmse000059,30,51.6245,1.02
3095,S_adenosyl_L_methionine,bmse000059,31,47.0027,7.3
3096,S_adenosyl_L_methionine,bmse000059,32,41.6503,2.53
3097,S_adenosyl_L_methionine,bmse000059,33,41.5608,8
3098,S_adenosyl_L_methionine,bmse000059,34,39.296,1.04
3099,S_adenosyl_L_methionine,bmse000059,35,38.5747,3.27
3100,S_adenosyl_L_methionine,bmse000059,36,34.9032,4.07
3101,S_adenosyl_L_methionine,bmse000059,37,28.138,8.12
3102,S_adenosyl_L_methionine,bmse000059,38,27.9802,2.58
3103,S_adenosyl_L_methionine,bmse000059,39,26.5384,1.05
3104,S_adenosyl_L_methionine,bmse000059,40,26.4688,3.89
3105,S_adenosyl_L_methionine,bmse000059,41,26.1398,11.37
3106,S_adenosyl_L_methionine,bmse000059,42,19.5416,3.82
3107,S_adenosyl_L_methionine,bmse000059,43,18.0425,2.93
3108,taurine,bmse000120,1,50.2124,12.5
3109,taurine,bmse000120,2,38.0682,11.7
3110,L_threitol,bmse000121,1,74.3047,12.5
3111,L_threitol,bmse000121,2,65.3263,12.42
3112,trans_4_hydroxy_L_proline,bmse000123,1,177.0263,1.29
3113,trans_4_hydroxy_L_proline,bmse000123,2,72.7686,12.34
3114,trans_4_hydroxy_L_proline,bmse000123,3,62.5265,8.41
3115,trans_4_hydroxy_L_proline,bmse000123,4,55.643,12.5
3116,trans_4_hydroxy_L_proline,bmse000123,5,40.1298,9.82
3117,trans_cinnamic_acid,bmse000124,1,143.5556,4.31
3118,trans_cinnamic_acid,bmse000124,2,137.8775,1.34
3119,trans_cinnamic_acid,bmse000124,3,132.3324,6.15
3120,trans_cinnamic_acid,bmse000124,4,131.6902,9.94
3121,trans_cinnamic_acid,bmse000124,5,130.4135,12.5
3122,trans_cinnamic_acid,bmse000124,6,126.8267,3.92
3123,D_trehalose,bmse000125,1,95.9171,12.5
3124,D_trehalose,bmse000125,2,75.2081,11.88
3125,D_trehalose,bmse000125,3,74.8491,10.1
3126,D_trehalose,bmse000125,4,73.7422,9.97
3127,D_trehalose,bmse000125,5,72.3894,11.58
3128,D_trehalose,bmse000125,6,63.2132,8.55
3129,uric_acid,bmse000126,1,167.6653,6.04
3130,uric_acid,bmse000126,2,165.3393,12.5
3131,uric_acid,bmse000126,3,162.2146,6.72
3132,uric_acid,bmse000126,4,156.4958,8.87
3133,uric_acid,bmse000126,5,104.5779,6.55
3134,xanthine,bmse000127,1,163.3303,1.9
3135,xanthine,bmse000127,2,161.9958,1.23
3136,xanthine,bmse000127,3,158.0123,1.54
3137,xanthine,bmse000127,4,142.7225,12.5
3138,xanthine,bmse000127,5,116.2503,1.15
3139,xanthosine,bmse000128,1,163.7475,1.41
3140,xanthosine,bmse000128,2,162.2764,1.3
3141,xanthosine,bmse000128,3,155.8547,2.56
3142,xanthosine,bmse000128,4,140.0607,9.27
3143,xanthosine,bmse000128,5,118.2068,1.28
3144,xanthosine,bmse000128,6,90.6608,11.73
3145,xanthosine,bmse000128,7,88.5324,12.41
3146,xanthosine,bmse000128,8,75.9737,12.5
3147,xanthosine,bmse000128,9,73.5577,11.03
3148,xanthosine,bmse000128,10,64.3556,8.81
3149,xylitol,bmse000129,1,74.6275,11.33
3150,xylitol,bmse000129,2,73.4743,6.7
3151,xylitol,bmse000129,3,65.3143,12.5
3152,tyramine,bmse000243,1,157.2984,1.41
3153,tyramine,bmse000243,2,132.9956,12.5
3154,tyramine,bmse000243,3,131.1649,2.03
3155,tyramine,bmse000243,4,118.5125,12.18
3156,tyramine,bmse000243,5,43.4518,5.34
3157,tyramine,bmse000243,6,34.6329,6.06
3158,L_carnosine,bmse000246,1,180.2008,3.84
3159,L_carnosine,bmse000246,2,174.3323,4.86
3160,L_carnosine,bmse000246,3,137.5197,9.53
3161,L_carnosine,bmse000246,4,134.6631,4.69
3162,L_carnosine,bmse000246,5,119.8491,10.48
3163,L_carnosine,bmse000246,6,57.5784,11.65
3164,L_carnosine,bmse000246,7,38.3703,11.44
3165,L_carnosine,bmse000246,8,34.7671,12.5
3166,L_carnosine,bmse000246,9,30.9947,9.98
3167,glycolate,bmse000245,1,182.6562,5.25
3168,glycolate,bmse000245,2,63.9098,12.5
3169,1_3_dimethylurea,bmse000248,1,29.1399,12.5
3170,D_glucosamine,bmse000247,1,96.7337,8.51
3171,D_glucosamine,bmse000247,2,92.4167,12.41
3172,D_glucosamine,bmse000247,3,78.843,9.89
3173,D_glucosamine,bmse000247,4,75.8685,8.3
3174,D_glucosamine,bmse000247,5,74.3489,12.5
3175,D_glucosamine,bmse000247,6,72.9419,11.22
3176,D_glucosamine,bmse000247,7,72.4037,9.8
3177,D_glucosamine,bmse000247,8,72.3301,12.04
3178,D_glucosamine,bmse000247,9,63.2894,7.62
3179,D_glucosamine,bmse000247,10,63.0782,11.08
3180,D_glucosamine,bmse000247,11,59.6847,8.44
3181,D_glucosamine,bmse000247,12,57.1428,11.73
3182,isethionic_acid,bmse000242,1,59.6397,12.02
3183,isethionic_acid,bmse000242,2,55.5295,12.5
3184,N_N_dimethylglycine,bmse000241,1,62.5717,6.55
3185,N_N_dimethylglycine,bmse000241,2,46.2286,12.5
3186,dihydroxyacetone,bmse000144,1,214.7833,3.78
3187,dihydroxyacetone,bmse000144,2,97.773,1.6
3188,dihydroxyacetone,bmse000144,3,66.2429,12.5
3189,N_acetyl_L_glutamine,bmse000145,1,181.3622,2.37
3190,N_acetyl_L_glutamine,bmse000145,2,181.1277,3.44
3191,N_acetyl_L_glutamine,bmse000145,3,176.3862,3.32
3192,N_acetyl_L_glutamine,bmse000145,4,57.3658,12.5
3193,N_acetyl_L_glutamine,bmse000145,5,34.4405,9.75
3194,N_acetyl_L_glutamine,bmse000145,6,30.4549,10.18
3195,N_acetyl_L_glutamine,bmse000145,7,24.6247,9.17
3196,ADA,bmse000146,1,180.0279,1.66
3197,ADA,bmse000146,2,60.0622,12.5
3198,ADA,bmse000146,3,59.955,1.44
3199,4_aminoantipyrine,bmse000147,1,144.7673,1.72
3200,4_aminoantipyrine,bmse000147,2,135.763,1.74
3201,4_aminoantipyrine,bmse000147,3,132.3952,12.5
3202,4_aminoantipyrine,bmse000147,4,131.8174,5.85
3203,4_aminoantipyrine,bmse000147,5,129.3212,12.35
3204,4_aminoantipyrine,bmse000147,6,37.2322,4.81
3205,4_aminoantipyrine,bmse000147,7,11.7408,4.42
3206,acetylcarnitine,bmse000142,1,179.354,4.03
3207,acetylcarnitine,bmse000142,2,175.4615,4.06
3208,acetylcarnitine,bmse000142,3,70.835,4.53
3209,acetylcarnitine,bmse000142,4,69.5734,12.5
3210,acetylcarnitine,bmse000142,5,56.5103,12.2
3211,acetylcarnitine,bmse000142,6,42.9071,9.73
3212,acetylcarnitine,bmse000142,7,23.3168,9.11
3213,5_acetylamido_2_chloroaniline,bmse000143,1,139.2064,3.06
3214,5_acetylamido_2_chloroaniline,bmse000143,2,132.3826,12.5
3215,5_acetylamido_2_chloroaniline,bmse000143,3,116.2078,11.5
3216,5_acetylamido_2_chloroaniline,bmse000143,4,112.9825,11.85
3217,5_acetylamido_2_chloroaniline,bmse000143,5,25.522,8.76
3218,uracil,bmse000187,1,170.2202,1.35
3219,uracil,bmse000187,2,146.2032,10.52
3220,uracil,bmse000187,3,103.7407,12.5
3221,cytidine,bmse000190,1,168.8862,2.92
3222,cytidine,bmse000190,2,160.3399,2.39
3223,cytidine,bmse000190,3,144.3268,8.93
3224,cytidine,bmse000190,4,98.9421,9.02
3225,cytidine,bmse000190,5,92.9764,11.59
3226,cytidine,bmse000190,6,86.4726,11.93
3227,cytidine,bmse000190,7,76.6665,12.26
3228,cytidine,bmse000190,8,71.9801,12.5
3229,cytidine,bmse000190,9,63.4255,9.89
3230,propionic_acid,bmse000179,1,187.7472,2.27
3231,propionic_acid,bmse000179,2,33.4143,12.5
3232,propionic_acid,bmse000179,3,12.8911,11.53
3233,cytosine,bmse000180,1,170.1095,1.09
3234,cytosine,bmse000180,2,145.8461,10.28
3235,cytosine,bmse000180,3,97.8181,12.5
3236,3_hydroxybutyrate,bmse000161,1,183.1934,2.18
3237,3_hydroxybutyrate,bmse000161,2,68.3994,9.53
3238,3_hydroxybutyrate,bmse000161,3,49.2195,12.5
3239,3_hydroxybutyrate,bmse000161,4,24.4317,11.28
3240,sarcosine,bmse000160,1,174.1787,1.69
3241,sarcosine,bmse000160,2,53.5151,12.5
3242,sarcosine,bmse000160,3,35.3495,10.56
3243,beta_alanine,bmse000159,1,181.1398,1.61
3244,beta_alanine,bmse000159,2,39.2339,9.51
3245,beta_alanine,bmse000159,3,36.2855,12.5
3246,uridine,bmse000158,1,169.0394,2.54
3247,uridine,bmse000158,2,154.4569,2.08
3248,uridine,bmse000158,3,144.529,8.58
3249,uridine,bmse000158,4,104.9743,9.81
3250,uridine,bmse000158,5,92.0363,11.1
3251,uridine,bmse000158,6,86.9005,11.88
3252,uridine,bmse000158,7,76.3651,11.81
3253,uridine,bmse000158,8,72.0985,12.5
3254,uridine,bmse000158,9,63.4211,9.74
3255,N_acetyl_L_alanine,bmse000157,1,183.142,2.18
3256,N_acetyl_L_alanine,bmse000157,2,176.0277,2.41
3257,N_acetyl_L_alanine,bmse000157,3,53.6895,12.5
3258,N_acetyl_L_alanine,bmse000157,4,24.5618,8.98
3259,N_acetyl_L_alanine,bmse000157,5,20.0042,11.11
3260,trimethyl_phosphonoacetate,bmse000156,1,56.6257,8.02
3261,trimethyl_phosphonoacetate,bmse000156,2,56.5607,8.02
3262,trimethyl_phosphonoacetate,bmse000156,3,55.9903,12.5
3263,creatinine,bmse000155,1,191.713,2.26
3264,creatinine,bmse000155,2,59.1239,12.5
3265,creatinine,bmse000155,3,58.8527,2.53
3266,creatinine,bmse000155,4,58.6295,1.96
3267,creatinine,bmse000155,5,32.9001,9.73
3268,4_2_aminoethyl_morpholine,bmse000154,1,68.8872,12.21
3269,4_2_aminoethyl_morpholine,bmse000154,2,56.9694,6.45
3270,4_2_aminoethyl_morpholine,bmse000154,3,55.1945,12.5
3271,4_2_aminoethyl_morpholine,bmse000154,4,38.3707,5.31
3272,L_methionine_methylsulfonium_iodide,bmse000153,1,176.1278,2.46
3273,L_methionine_methylsulfonium_iodide,bmse000153,2,55.6328,12.37
3274,L_methionine_methylsulfonium_iodide,bmse000153,3,42.2714,10.53
3275,L_methionine_methylsulfonium_iodide,bmse000153,4,28.1127,10.06
3276,L_methionine_methylsulfonium_iodide,bmse000153,5,27.4753,11.87
3277,L_methionine_methylsulfonium_iodide,bmse000153,6,27.4428,12.5
3278,trigonelline,bmse000152,1,170.5429,1.63
3279,trigonelline,bmse000152,2,148.7294,3.53
3280,trigonelline,bmse000152,3,148.5432,3.12
3281,trigonelline,bmse000152,4,147.4509,9.81
3282,trigonelline,bmse000152,5,139.591,3.58
3283,trigonelline,bmse000152,6,130.3808,12.5
3284,trigonelline,bmse000152,7,50.9868,3.8
3285,L_kynurenine,bmse000172,1,202.7838,4.18
3286,L_kynurenine,bmse000172,2,176.9655,3.82
3287,L_kynurenine,bmse000172,3,153.0281,3.8
3288,L_kynurenine,bmse000172,4,138.3201,10.63
3289,L_kynurenine,bmse000172,5,134.0077,10.47
3290,L_kynurenine,bmse000172,6,120.7487,12.5
3291,L_kynurenine,bmse000172,7,120.1347,3.19
3292,L_kynurenine,bmse000172,8,119.5469,11.71
3293,L_kynurenine,bmse000172,9,53.4373,9.6
3294,L_kynurenine,bmse000172,10,53.3893,1.75
3295,L_kynurenine,bmse000172,11,41.6724,9.4
3296,4_hydroxyphenethyl_alcohol,bmse000173,1,156.5231,1.3
3297,4_hydroxyphenethyl_alcohol,bmse000173,2,133.6531,2.03
3298,4_hydroxyphenethyl_alcohol,bmse000173,3,133.0108,12.05
3299,4_hydroxyphenethyl_alcohol,bmse000173,4,118.0973,12.5
3300,4_hydroxyphenethyl_alcohol,bmse000173,5,65.4628,5.4
3301,4_hydroxyphenethyl_alcohol,bmse000173,6,39.6054,5.27
3302,L_glutathione_oxidized,bmse000170,1,179.0431,5.08
3303,L_glutathione_oxidized,bmse000170,2,177.7295,7.27
3304,L_glutathione_oxidized,bmse000170,3,176.8436,5.71
3305,L_glutathione_oxidized,bmse000170,4,174.576,7.14
3306,L_glutathione_oxidized,bmse000170,5,56.7983,12.5
3307,L_glutathione_oxidized,bmse000170,6,55.2962,6.93
3308,L_glutathione_oxidized,bmse000170,7,46.1769,10
3309,L_glutathione_oxidized,bmse000170,8,41.3939,5.3
3310,L_glutathione_oxidized,bmse000170,9,34.0976,8.71
3311,L_glutathione_oxidized,bmse000170,10,28.9834,9.22
3312,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,1,137.9087,2.24
3313,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,2,137.8673,2.37
3314,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,3,131.376,12.5
3315,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,4,131.3613,12.49
3316,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,5,130.699,5.71
3317,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,6,130.6797,5.71
3318,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,7,130.3647,10.88
3319,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,8,130.3201,11.19
3320,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,9,58.3213,5.52
3321,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,10,57.0571,5.41
3322,2_amino_5_ethyl_1_3_4_thiadiazole,bmse000176,1,168.4472,1.23
3323,2_amino_5_ethyl_1_3_4_thiadiazole,bmse000176,2,25.8692,12.5
3324,2_amino_5_ethyl_1_3_4_thiadiazole,bmse000176,3,15.8228,11.49
3325,indole_3_acetic_acid,bmse000177,1,184.4014,2.14
3326,indole_3_acetic_acid,bmse000177,2,138.8639,1.78
3327,indole_3_acetic_acid,bmse000177,3,129.8341,1.84
3328,indole_3_acetic_acid,bmse000177,4,126.7302,9.37
3329,indole_3_acetic_acid,bmse000177,5,124.4124,12.5
3330,indole_3_acetic_acid,bmse000177,6,121.7961,11.6
3331,indole_3_acetic_acid,bmse000177,7,121.3961,11.96
3332,indole_3_acetic_acid,bmse000177,8,114.4077,11.75
3333,indole_3_acetic_acid,bmse000177,9,113.0393,2.26
3334,indole_3_acetic_acid,bmse000177,10,36.6627,11.8
3335,5_acetylamino_2_nitrobenzoic_acid,bmse000174,1,177.1121,2.86
3336,5_acetylamino_2_nitrobenzoic_acid,bmse000174,2,175.8429,2.97
3337,5_acetylamino_2_nitrobenzoic_acid,bmse000174,3,146.1205,4.91
3338,5_acetylamino_2_nitrobenzoic_acid,bmse000174,4,142.1751,2.25
3339,5_acetylamino_2_nitrobenzoic_acid,bmse000174,5,140.3992,5.19
3340,5_acetylamino_2_nitrobenzoic_acid,bmse000174,6,135.1671,1.17
3341,5_acetylamino_2_nitrobenzoic_acid,bmse000174,7,128.5755,12.5
3342,5_acetylamino_2_nitrobenzoic_acid,bmse000174,8,122.2003,7.85
3343,5_acetylamino_2_nitrobenzoic_acid,bmse000174,9,120.5307,8.5
3344,5_acetylamino_2_nitrobenzoic_acid,bmse000174,10,26.0734,7.9
3345,inosine_5_monophosphate,bmse000175,1,161.425,3.75
3346,inosine_5_monophosphate,bmse000175,2,151.4802,4.81
3347,inosine_5_monophosphate,bmse000175,3,149.0993,9.26
3348,inosine_5_monophosphate,bmse000175,4,142.6513,8.28
3349,inosine_5_monophosphate,bmse000175,5,126.224,3.55
3350,inosine_5_monophosphate,bmse000175,6,90.0513,11.57
3351,inosine_5_monophosphate,bmse000175,7,87.5897,6.17
3352,inosine_5_monophosphate,bmse000175,8,87.5029,6.25
3353,inosine_5_monophosphate,bmse000175,9,77.4723,12.43
3354,inosine_5_monophosphate,bmse000175,10,73.3415,12.5
3355,inosine_5_monophosphate,bmse000175,11,66.1817,4.69
3356,inosine_5_monophosphate,bmse000175,12,66.1371,4.9
3357,acetylcholine,bmse000168,1,175.9351,1.7
3358,acetylcholine,bmse000168,2,67.2352,3.17
3359,acetylcholine,bmse000168,3,67.2022,3.69
3360,acetylcholine,bmse000168,4,67.1693,3.21
3361,acetylcholine,bmse000168,5,61.0489,9.91
3362,acetylcholine,bmse000168,6,56.5037,10.75
3363,acetylcholine,bmse000168,7,56.4653,12.5
3364,acetylcholine,bmse000168,8,56.4269,11.09
3365,acetylcholine,bmse000168,9,22.907,5.01
3366,L_selenomethionine,bmse000169,1,177.0007,2.6
3367,L_selenomethionine,bmse000169,2,57.4374,11.47
3368,L_selenomethionine,bmse000169,3,33.6291,11.68
3369,L_selenomethionine,bmse000169,4,21.9577,12.5
3370,L_selenomethionine,bmse000169,5,5.9908,6.84
3371,L_carnitine,bmse000211,1,180.7932,2.55
3372,L_carnitine,bmse000211,2,72.8484,3.55
3373,L_carnitine,bmse000211,3,72.8194,4.35
3374,L_carnitine,bmse000211,4,72.7905,3.77
3375,L_carnitine,bmse000211,5,66.787,9.83
3376,L_carnitine,bmse000211,6,56.8352,10.16
3377,L_carnitine,bmse000211,7,56.7971,12.5
3378,L_carnitine,bmse000211,8,56.7587,10.72
3379,L_carnitine,bmse000211,9,45.6836,6.68
3380,2_deoxyguanosine_5_triphosphate,bmse000210,1,161.5994,4.1
3381,2_deoxyguanosine_5_triphosphate,bmse000210,2,156.5483,6.62
3382,2_deoxyguanosine_5_triphosphate,bmse000210,3,153.9201,3.76
3383,2_deoxyguanosine_5_triphosphate,bmse000210,4,140.177,4.97
3384,2_deoxyguanosine_5_triphosphate,bmse000210,5,118.7094,3.56
3385,2_deoxyguanosine_5_triphosphate,bmse000210,6,88.3356,4.95
3386,2_deoxyguanosine_5_triphosphate,bmse000210,7,88.2497,5.03
3387,2_deoxyguanosine_5_triphosphate,bmse000210,8,86.1217,10.42
3388,2_deoxyguanosine_5_triphosphate,bmse000210,9,85.9663,1.24
3389,2_deoxyguanosine_5_triphosphate,bmse000210,10,73.5912,12.5
3390,2_deoxyguanosine_5_triphosphate,bmse000210,11,73.4257,1.36
3391,2_deoxyguanosine_5_triphosphate,bmse000210,12,68.0836,4.3
3392,2_deoxyguanosine_5_triphosphate,bmse000210,13,68.0298,4.01
3393,2_deoxyguanosine_5_triphosphate,bmse000210,14,60.1564,2.92
3394,2_deoxyguanosine_5_triphosphate,bmse000210,15,41.4696,9.7
3395,2_deoxyguanosine_5_triphosphate,bmse000210,16,19.5226,3.19
3396,L_glutathione_reduced,bmse000185,1,179.0844,3.34
3397,L_glutathione_reduced,bmse000185,2,177.7381,6.24
3398,L_glutathione_reduced,bmse000185,3,176.8762,4.09
3399,L_glutathione_reduced,bmse000185,4,174.517,4.49
3400,L_glutathione_reduced,bmse000185,5,58.485,9.28
3401,L_glutathione_reduced,bmse000185,6,56.8252,12.5
3402,L_glutathione_reduced,bmse000185,7,46.0594,11.98
3403,L_glutathione_reduced,bmse000185,8,34.0617,10.25
3404,L_glutathione_reduced,bmse000185,9,28.9279,10.05
3405,L_glutathione_reduced,bmse000185,10,28.2991,8.79
3406,L-ascorbate,bmse000182,1,180.3168,1.43
3407,L-ascorbate,bmse000182,2,178.4832,2.74
3408,L-ascorbate,bmse000182,3,115.802,1.21
3409,L-ascorbate,bmse000182,4,81.1004,12.5
3410,L-ascorbate,bmse000182,5,72.2534,11.82
3411,L-ascorbate,bmse000182,6,65.2522,10.99
3412,glycerol,bmse000184,1,74.7687,5.34
3413,glycerol,bmse000184,2,65.1855,12.5
3414,succinic_acid,bmse000183,1,185.1723,12.5
3415,diethyl_oxalacetate,bmse000148,1,175.4103,2.81
3416,diethyl_oxalacetate,bmse000148,2,174.3091,2.64
3417,diethyl_oxalacetate,bmse000148,3,173.4326,3.11
4214,CoA,bmse000271,46,40.9558,6.01
3418,diethyl_oxalacetate,bmse000148,4,168.1048,3.57
3419,diethyl_oxalacetate,bmse000148,5,163.0751,2.84
3420,diethyl_oxalacetate,bmse000148,6,107.9727,2.93
3421,diethyl_oxalacetate,bmse000148,7,66.4032,12.5
3422,diethyl_oxalacetate,bmse000148,8,64.8073,11.65
3423,diethyl_oxalacetate,bmse000148,9,63.2252,12.35
3424,diethyl_oxalacetate,bmse000148,10,60.1425,6.53
3425,diethyl_oxalacetate,bmse000148,11,19.5054,7.69
3426,diethyl_oxalacetate,bmse000148,12,16.4349,10.31
3427,diethyl_oxalacetate,bmse000148,13,16.0264,10.85
3428,diethyl_oxalacetate,bmse000148,14,15.8307,11.05
3429,diethyl_oxalacetate,bmse000148,15,8.3719,1.46
3430,methyl_4_aminobutyrate,bmse000249,1,178.332,2.3
3431,methyl_4_aminobutyrate,bmse000249,2,55.0318,9.91
3432,methyl_4_aminobutyrate,bmse000249,3,41.3931,9.31
3433,methyl_4_aminobutyrate,bmse000249,4,33.2371,12.5
3434,methyl_4_aminobutyrate,bmse000249,5,24.7364,10.01
3435,acetic_acid,bmse000191,1,25.9921,12.5
3436,DL_alpha_glycerol_phosphate,bmse000193,1,74.017,6.6
3437,DL_alpha_glycerol_phosphate,bmse000193,2,73.9509,6.61
3438,DL_alpha_glycerol_phosphate,bmse000193,3,67.5764,6.42
3439,DL_alpha_glycerol_phosphate,bmse000193,4,67.5279,6.33
3440,DL_alpha_glycerol_phosphate,bmse000193,5,64.9909,12.5
3441,L_arginine_L_glutamate,bmse000194,1,184.0271,2.62
3442,L_arginine_L_glutamate,bmse000194,2,177.3004,2.69
3443,L_arginine_L_glutamate,bmse000194,3,177.2486,3.51
3444,L_arginine_L_glutamate,bmse000194,4,159.5217,1.58
3445,L_arginine_L_glutamate,bmse000194,5,57.3276,11.34
3446,L_arginine_L_glutamate,bmse000194,6,56.9877,12.33
3447,L_arginine_L_glutamate,bmse000194,7,43.187,10.69
3448,L_arginine_L_glutamate,bmse000194,8,36.1773,12.5
3449,L_arginine_L_glutamate,bmse000194,9,30.2821,11.31
3450,L_arginine_L_glutamate,bmse000194,10,29.6813,11.66
3451,L_arginine_L_glutamate,bmse000194,11,26.565,9.36
3452,N_alpha_acetyl_DL_ornithine,bmse000195,1,181.278,2.84
3453,N_alpha_acetyl_DL_ornithine,bmse000195,2,176.3942,3.3
3454,N_alpha_acetyl_DL_ornithine,bmse000195,3,57.2647,12.5
3455,N_alpha_acetyl_DL_ornithine,bmse000195,4,41.7026,11.36
3456,N_alpha_acetyl_DL_ornithine,bmse000195,5,31.2562,11.58
3457,N_alpha_acetyl_DL_ornithine,bmse000195,6,26.1175,10.85
3458,N_alpha_acetyl_DL_ornithine,bmse000195,7,24.6039,9.43
3459,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,1,177.1802,4.22
3460,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,2,100.7816,12.14
3461,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,3,74.3693,12.5
3462,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,4,73.8173,11.87
3463,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,5,72.6604,11.86
3464,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,6,63.2442,9.78
3465,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,7,57.84,10.7
3466,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,8,56.3295,11.36
3467,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,9,24.5939,9.03
3468,N_acetyl_D_glucosamine_1_phosphate,bmse000197,1,177.4262,6.89
3469,N_acetyl_D_glucosamine_1_phosphate,bmse000197,2,95.5064,6.59
3470,N_acetyl_D_glucosamine_1_phosphate,bmse000197,3,95.4519,6.61
3471,N_acetyl_D_glucosamine_1_phosphate,bmse000197,4,74.8112,12.48
3472,N_acetyl_D_glucosamine_1_phosphate,bmse000197,5,74.1248,11.53
3473,N_acetyl_D_glucosamine_1_phosphate,bmse000197,6,72.717,12.5
3474,N_acetyl_D_glucosamine_1_phosphate,bmse000197,7,63.3991,10.48
3475,N_acetyl_D_glucosamine_1_phosphate,bmse000197,8,60.1385,1.19
3476,N_acetyl_D_glucosamine_1_phosphate,bmse000197,9,56.8941,6.31
3477,N_acetyl_D_glucosamine_1_phosphate,bmse000197,10,56.82,5.92
3478,N_acetyl_D_glucosamine_1_phosphate,bmse000197,11,24.8547,11.82
3479,N_acetyl_D_glucosamine_1_phosphate,bmse000197,12,19.5064,1.35
3480,6_phosphogluconic_acid,bmse000198,1,181.6058,3.57
3481,6_phosphogluconic_acid,bmse000198,2,76.871,10.24
3482,6_phosphogluconic_acid,bmse000198,3,74.5728,12.34
3483,6_phosphogluconic_acid,bmse000198,4,73.5923,12.5
3484,6_phosphogluconic_acid,bmse000198,5,73.3427,6.13
3485,6_phosphogluconic_acid,bmse000198,6,73.2817,6
3486,6_phosphogluconic_acid,bmse000198,7,67.8378,5.3
3487,6_phosphogluconic_acid,bmse000198,8,67.7897,5.02
3488,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,1,177.4856,7.09
3489,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,2,169.018,6.26
3490,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,3,154.5678,4.71
3491,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,4,144.3458,8.41
3492,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,5,105.3664,9.76
3493,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,6,97.2217,5.52
3494,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,7,97.1586,5.3
3495,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,8,91.2324,10.4
3496,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,9,85.9265,5.45
3497,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,10,85.8356,5.37
3498,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,11,76.5038,12.5
3499,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,12,75.7265,10.47
3500,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,13,73.618,9.4
3501,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,14,72.3363,12.03
4215,CoA,bmse000271,47,40.7593,1.76
3502,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,15,72.1894,10.68
3503,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,16,67.7104,4.06
3504,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,17,67.6547,4.21
3505,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,18,63.011,8.29
3506,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,19,56.4123,4.85
3507,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,20,56.3279,4.86
3508,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,21,24.8017,11.06
3509,D_glucosamine_6_phosphate,bmse000189,1,96.7641,3.96
3510,D_glucosamine_6_phosphate,bmse000189,2,92.5468,9.11
3511,D_glucosamine_6_phosphate,bmse000189,3,78.573,7.72
3512,D_glucosamine_6_phosphate,bmse000189,4,78.5029,8.09
3513,D_glucosamine_6_phosphate,bmse000189,5,75.3,3.82
3514,D_glucosamine_6_phosphate,bmse000189,6,74.241,8.9
3515,D_glucosamine_6_phosphate,bmse000189,7,74.1735,8.79
3516,D_glucosamine_6_phosphate,bmse000189,8,72.61,7.6
3517,D_glucosamine_6_phosphate,bmse000189,9,72.216,8.01
3518,D_glucosamine_6_phosphate,bmse000189,10,72.0861,11.81
3519,D_glucosamine_6_phosphate,bmse000189,11,65.6945,5.67
3520,D_glucosamine_6_phosphate,bmse000189,12,65.5318,8.2
3521,D_glucosamine_6_phosphate,bmse000189,13,59.9922,8.37
3522,D_glucosamine_6_phosphate,bmse000189,14,57.442,12.5
3523,N_acetyl_D_glucosamine_6_phosphate,bmse000205,1,177.6459,3.99
3524,N_acetyl_D_glucosamine_6_phosphate,bmse000205,2,177.3558,6.21
3525,N_acetyl_D_glucosamine_6_phosphate,bmse000205,3,97.9785,9.64
3526,N_acetyl_D_glucosamine_6_phosphate,bmse000205,4,93.8355,12.5
3527,N_acetyl_D_glucosamine_6_phosphate,bmse000205,5,78.3788,4.55
3528,N_acetyl_D_glucosamine_6_phosphate,bmse000205,6,78.3082,5
3529,N_acetyl_D_glucosamine_6_phosphate,bmse000205,7,76.3335,8.77
3530,N_acetyl_D_glucosamine_6_phosphate,bmse000205,8,74.1312,5.77
3531,N_acetyl_D_glucosamine_6_phosphate,bmse000205,9,74.0636,5.71
3532,N_acetyl_D_glucosamine_6_phosphate,bmse000205,10,73.273,9.62
3533,N_acetyl_D_glucosamine_6_phosphate,bmse000205,11,72.5985,6.43
3534,N_acetyl_D_glucosamine_6_phosphate,bmse000205,12,72.4066,4.3
3535,N_acetyl_D_glucosamine_6_phosphate,bmse000205,13,65.8183,6.34
3536,N_acetyl_D_glucosamine_6_phosphate,bmse000205,14,59.7314,6.92
3537,N_acetyl_D_glucosamine_6_phosphate,bmse000205,15,57.09,11.32
3538,N_acetyl_D_glucosamine_6_phosphate,bmse000205,16,25.09,7.17
3539,N_acetyl_D_glucosamine_6_phosphate,bmse000205,17,24.8284,8.82
3540,N_acetyl_D_glucosamine_6_phosphate,bmse000205,18,24.6366,2.13
3541,N_acetyl_D_glucosamine_6_phosphate,bmse000205,19,8.3826,2.3
3542,formate,bmse000203,1,173.8915,12.5
3543,HEPES,bmse000202,1,60.8048,5.44
3544,HEPES,bmse000202,2,58.5772,7.51
3545,HEPES,bmse000202,3,54.5149,8.11
3546,HEPES,bmse000202,4,54.0844,12.5
3547,HEPES,bmse000202,5,52.383,11.07
3548,HEPES,bmse000202,6,50.0053,7.83
3549,D_citrulline,bmse000209,1,177.3935,5.6
3550,D_citrulline,bmse000209,2,164.2858,1.35
3551,D_citrulline,bmse000209,3,57.1942,10.87
3552,D_citrulline,bmse000209,4,41.9172,1.9
3553,D_citrulline,bmse000209,5,30.442,12.5
3554,D_citrulline,bmse000209,6,27.6603,6.22
3555,tryptamine,bmse000207,1,139.1467,1.96
3556,tryptamine,bmse000207,2,129.1548,2.05
3557,tryptamine,bmse000207,3,127.0515,9.42
3558,tryptamine,bmse000207,4,124.8771,12.23
3559,tryptamine,bmse000207,5,122.1292,11.7
3560,tryptamine,bmse000207,6,121.0332,11.62
3561,tryptamine,bmse000207,7,114.7782,11.66
3562,tryptamine,bmse000207,8,111.7871,2.5
3563,tryptamine,bmse000207,9,42.4461,10.28
3564,tryptamine,bmse000207,10,25.3872,12.5
3565,caffeine,bmse000206,1,158.3677,2.3
3566,caffeine,bmse000206,2,154.8444,2.1
3567,caffeine,bmse000206,3,150.6943,2.53
3568,caffeine,bmse000206,4,146.1726,12.5
3569,caffeine,bmse000206,5,109.992,1.93
3570,caffeine,bmse000206,6,36.1671,12
3571,caffeine,bmse000206,7,32.5176,11.72
3572,caffeine,bmse000206,8,30.6092,12.15
3573,DL_serine,bmse000222,1,175.1858,1.49
3574,DL_serine,bmse000222,2,62.8818,12.5
3575,DL_serine,bmse000222,3,59.0696,9.18
3576,kanamycin,bmse000201,1,103.0882,11.25
3577,kanamycin,bmse000201,2,99.3708,11.19
3578,kanamycin,bmse000201,3,87.4547,11.03
3579,kanamycin,bmse000201,4,82.3518,10.12
3580,kanamycin,bmse000201,5,76.1335,11.05
3581,kanamycin,bmse000201,6,75.2746,11.27
3582,kanamycin,bmse000201,7,74.8051,11.96
3583,kanamycin,bmse000201,8,73.8216,11.92
3584,kanamycin,bmse000201,9,73.7132,12.5
3585,kanamycin,bmse000201,10,71.3274,11.8
3586,kanamycin,bmse000201,11,71.2135,10.89
3587,kanamycin,bmse000201,12,68.4669,11.25
3588,kanamycin,bmse000201,13,62.5738,8.79
3589,kanamycin,bmse000201,14,57.6876,10.31
3590,kanamycin,bmse000201,15,52.8142,10.87
3591,kanamycin,bmse000201,16,50.8624,10.67
3592,kanamycin,bmse000201,17,43.1772,9.79
3593,kanamycin,bmse000201,18,32.4006,6.43
3594,D_galacturonic_acid,bmse000216,1,178.7328,1.92
3595,D_galacturonic_acid,bmse000216,2,177.8683,2.95
3596,D_galacturonic_acid,bmse000216,3,103.6266,1.14
3597,D_galacturonic_acid,bmse000216,4,98.6973,11.64
3598,D_galacturonic_acid,bmse000216,5,94.8821,8.1
3599,D_galacturonic_acid,bmse000216,6,86.1096,1.16
3600,D_galacturonic_acid,bmse000216,7,83.8927,1.25
3601,D_galacturonic_acid,bmse000216,8,78.2191,12.5
3602,D_galacturonic_acid,bmse000216,9,75.5921,12.15
3603,D_galacturonic_acid,bmse000216,10,74.2733,11.54
3604,D_galacturonic_acid,bmse000216,11,74.0687,8.3
3605,D_galacturonic_acid,bmse000216,12,73.5175,7.92
3606,D_galacturonic_acid,bmse000216,13,73.4128,1.2
3607,D_galacturonic_acid,bmse000216,14,73.0403,11.9
3608,D_galacturonic_acid,bmse000216,15,72.0425,8.11
3609,D_galacturonic_acid,bmse000216,16,70.7295,8.19
3610,melibiose,bmse000215,1,100.9074,4.94
3611,melibiose,bmse000215,2,100.8624,8.18
3612,melibiose,bmse000215,3,98.7735,7.77
3613,melibiose,bmse000215,4,94.8936,4.8
3614,melibiose,bmse000215,5,78.5818,7.92
3615,melibiose,bmse000215,6,77.0481,7.86
3616,melibiose,bmse000215,7,76.7432,7.91
3617,melibiose,bmse000215,8,75.641,4.51
3618,melibiose,bmse000215,9,74.115,4.66
3619,melibiose,bmse000215,10,73.6521,8.63
3620,melibiose,bmse000215,11,72.7897,4.38
3621,melibiose,bmse000215,12,72.2675,4.58
3622,melibiose,bmse000215,13,72.1681,11.13
3623,melibiose,bmse000215,14,72.1168,8.41
3624,melibiose,bmse000215,15,71.8969,12.5
3625,melibiose,bmse000215,16,71.1809,5.01
3626,melibiose,bmse000215,17,71.1499,8
3627,melibiose,bmse000215,18,68.5997,3.4
3628,melibiose,bmse000215,19,68.5048,5.74
3629,melibiose,bmse000215,20,63.7993,7.48
3630,raffinose,bmse000221,1,106.4984,12
3631,raffinose,bmse000221,2,101.1619,11.75
3632,raffinose,bmse000221,3,94.8107,10.5
3633,raffinose,bmse000221,4,84.0386,10.37
3634,raffinose,bmse000221,5,78.9908,10.66
3635,raffinose,bmse000221,6,76.6708,10.74
3636,raffinose,bmse000221,7,75.3481,10.62
3637,raffinose,bmse000221,8,74.0893,10.03
3638,raffinose,bmse000221,9,73.7298,10.76
3639,raffinose,bmse000221,10,73.6491,10.76
3640,raffinose,bmse000221,11,72.1375,11.45
3641,raffinose,bmse000221,12,72.0811,10.61
3642,raffinose,bmse000221,13,71.8977,12.5
3643,raffinose,bmse000221,14,71.1782,10.63
3644,raffinose,bmse000221,15,68.5609,7.4
3645,raffinose,bmse000221,16,65.174,9.27
3646,raffinose,bmse000221,17,64.0591,8.59
3647,raffinose,bmse000221,18,63.8064,10.78
3648,phenylacetic_acid,bmse000220,1,140.0132,1.48
3649,phenylacetic_acid,bmse000220,2,131.8678,12.4
3650,phenylacetic_acid,bmse000220,3,131.3739,12.5
3651,phenylacetic_acid,bmse000220,4,129.1624,7.27
3652,phenylacetic_acid,bmse000220,5,47.1763,7.68
3653,quinolinic_acid,bmse000219,1,151.0633,4.64
3654,quinolinic_acid,bmse000219,2,139.9295,12.5
3655,quinolinic_acid,bmse000219,3,134.2225,1.66
3656,quinolinic_acid,bmse000219,4,126.3609,1.43
3657,L_arabinose,bmse000213,1,99.4707,11.84
3658,L_arabinose,bmse000213,2,95.2773,6.36
3659,L_arabinose,bmse000213,3,85.6557,1.01
3660,L_arabinose,bmse000213,4,75.1558,12.46
3661,L_arabinose,bmse000213,5,74.5445,11.65
3662,L_arabinose,bmse000213,6,71.3975,5.23
3663,L_arabinose,bmse000213,7,71.291,6.33
3664,L_arabinose,bmse000213,8,71.19,12.5
3665,L_arabinose,bmse000213,9,71.1316,6.46
3666,L_arabinose,bmse000213,10,69.092,10.76
3667,L_arabinose,bmse000213,11,65.1629,5.63
3668,L_arabinose,bmse000213,12,63.7809,1.01
3669,maleic_acid,bmse000212,1,178.0156,12.5
3670,maleic_acid,bmse000212,2,138.0455,2.52
3671,trimethylamine,bmse000224,1,47.3627,12.5
3672,FAD,bmse000226,1,164.0687,6.03
3673,FAD,bmse000226,2,160.4644,6.44
3674,FAD,bmse000226,3,157.4008,5.27
3675,FAD,bmse000226,4,155.0401,6.79
3676,FAD,bmse000226,5,153.2024,6.31
3677,FAD,bmse000226,6,152.7018,4.88
3678,FAD,bmse000226,7,150.7506,8.42
3679,FAD,bmse000226,8,141.8033,9.25
3680,FAD,bmse000226,9,137.3022,7.38
3681,FAD,bmse000226,10,136.7199,6.9
3682,FAD,bmse000226,11,134.1126,5.24
3683,FAD,bmse000226,12,133.1145,6.31
3684,FAD,bmse000226,13,120.4006,4.97
3685,FAD,bmse000226,14,119.1392,5.98
3686,FAD,bmse000226,15,89.8286,8.42
3687,FAD,bmse000226,16,86.1706,4.9
3688,FAD,bmse000226,17,77.5902,9.53
3689,FAD,bmse000226,18,75.1902,7.63
3690,FAD,bmse000226,19,73.8874,4.74
3691,FAD,bmse000226,20,72.6742,9.77
3692,FAD,bmse000226,21,72.0204,7.14
3693,FAD,bmse000226,22,49.8304,4.6
3694,FAD,bmse000226,23,23.4503,12.23
3695,FAD,bmse000226,24,21.3064,12.5
3696,biotin,bmse000227,1,186.5202,3.08
3697,biotin,bmse000227,2,168.1155,1.31
3698,biotin,bmse000227,3,64.7083,11.47
3699,biotin,bmse000227,4,62.9655,10.94
3700,biotin,bmse000227,5,58.0656,12.5
3701,biotin,bmse000227,6,42.4481,10.02
3702,biotin,bmse000227,7,40.0331,11.31
3703,biotin,bmse000227,8,30.9897,10.73
3704,biotin,bmse000227,9,30.4007,10.87
3705,biotin,bmse000227,10,28.3888,11.03
3706,L_malic_acid,bmse000238,1,183.7653,2.22
3707,L_malic_acid,bmse000238,2,182.5621,2.11
3708,L_malic_acid,bmse000238,3,73.0565,11
3709,L_malic_acid,bmse000238,4,45.325,12.5
3710,DL_pipecolic_acid,bmse000237,1,177.3687,2.02
3711,DL_pipecolic_acid,bmse000237,2,61.7014,10.46
3712,DL_pipecolic_acid,bmse000237,3,46.3684,11.14
3713,DL_pipecolic_acid,bmse000237,4,29.2254,12.03
3714,DL_pipecolic_acid,bmse000237,5,24.5183,12.5
3715,DL_pipecolic_acid,bmse000237,6,24.2597,11.72
3716,alpha_naphthoic_acid,bmse000178,1,180.9525,1.22
3717,alpha_naphthoic_acid,bmse000178,2,140.3164,2.38
3718,alpha_naphthoic_acid,bmse000178,3,136.0023,3.43
3719,alpha_naphthoic_acid,bmse000178,4,131.8378,2.83
3720,alpha_naphthoic_acid,bmse000178,5,131.5775,11.93
3721,alpha_naphthoic_acid,bmse000178,6,130.9661,12.32
3722,alpha_naphthoic_acid,bmse000178,7,129.4469,11.78
3723,alpha_naphthoic_acid,bmse000178,8,128.9278,12.24
3724,alpha_naphthoic_acid,bmse000178,9,128.3008,11.2
3725,alpha_naphthoic_acid,bmse000178,10,128.1263,11.47
3726,alpha_naphthoic_acid,bmse000178,11,126.9179,12.5
3727,L_lactic_acid,bmse000208,1,185.2568,1.47
3728,L_lactic_acid,bmse000208,2,71.1986,10.31
3729,L_lactic_acid,bmse000208,3,22.7605,12.5
3730,thymidine,bmse000244,1,169.2606,1.96
3731,thymidine,bmse000244,2,154.4362,2.17
3732,thymidine,bmse000244,3,140.2111,10.41
3733,thymidine,bmse000244,4,114.1556,4.85
3734,thymidine,bmse000244,5,89.1962,12.5
3735,thymidine,bmse000244,6,87.7135,11.37
3736,thymidine,bmse000244,7,73.1301,12.1
3737,thymidine,bmse000244,8,63.8632,10.49
3738,thymidine,bmse000244,9,41.1957,10.46
3739,thymidine,bmse000244,10,14.2614,10.1
3740,citraconic_acid,bmse000199,1,182.5855,1.19
3741,citraconic_acid,bmse000199,2,177.0006,1.62
3742,citraconic_acid,bmse000199,3,150.7235,3.14
3743,citraconic_acid,bmse000199,4,122.9987,12.5
3744,citraconic_acid,bmse000199,5,23.083,10.26
3745,homogentisic_acid,bmse000200,1,183.4495,2.25
3746,homogentisic_acid,bmse000200,2,151.5798,3.49
3747,homogentisic_acid,bmse000200,3,150.3577,2.71
3748,homogentisic_acid,bmse000200,4,128.3103,4.07
3749,homogentisic_acid,bmse000200,5,120.3611,12.12
3750,homogentisic_acid,bmse000200,6,119.7948,12.5
3751,homogentisic_acid,bmse000200,7,117.1989,12.11
3752,homogentisic_acid,bmse000200,8,42.6626,11.69
3753,isonicotinic_acid,bmse000133,1,152.265,11.27
3754,isonicotinic_acid,bmse000133,2,143.3482,1.49
3755,isonicotinic_acid,bmse000133,3,124.3227,12.5
3756,homovanillic_acid,bmse000132,1,184.0342,2.31
3757,homovanillic_acid,bmse000132,2,149.9125,2.75
3758,homovanillic_acid,bmse000132,3,145.8277,2.64
3759,homovanillic_acid,bmse000132,4,132.7556,4.92
3760,homovanillic_acid,bmse000132,5,124.6363,12.01
3761,homovanillic_acid,bmse000132,6,118.1634,12.5
3762,homovanillic_acid,bmse000132,7,116.1596,11.86
3763,homovanillic_acid,bmse000132,8,58.5972,11.89
3764,homovanillic_acid,bmse000132,9,46.5865,11.75
3765,cyanuric_acid,bmse000135,1,158.7585,12.5
3766,ethacrynic_acid,bmse000134,1,202.3118,4.43
3767,ethacrynic_acid,bmse000134,2,177.9826,5
3768,ethacrynic_acid,bmse000134,3,158.7271,7.04
3769,ethacrynic_acid,bmse000134,4,152.4416,9.11
3770,ethacrynic_acid,bmse000134,5,134.6377,7.45
3771,ethacrynic_acid,bmse000134,6,134.3055,7.14
3772,ethacrynic_acid,bmse000134,7,133.1034,4.2
3773,ethacrynic_acid,bmse000134,8,130.6445,11.98
3774,ethacrynic_acid,bmse000134,9,124.6188,3.16
3775,ethacrynic_acid,bmse000134,10,113.5528,12.1
3776,ethacrynic_acid,bmse000134,11,70.3721,12.5
3777,ethacrynic_acid,bmse000134,12,25.8093,12.14
3778,ethacrynic_acid,bmse000134,13,14.5372,10.57
3779,itaconic_acid,bmse000137,1,183.4319,1.66
3780,itaconic_acid,bmse000137,2,144.4598,3.08
3781,itaconic_acid,bmse000137,3,124.7498,11.94
3782,itaconic_acid,bmse000137,4,44.7199,12.5
3783,amygdalin,bmse000139,1,135.1591,3.04
3784,amygdalin,bmse000139,2,133.2211,4.82
3785,amygdalin,bmse000139,3,132.0805,12.5
3786,amygdalin,bmse000139,4,130.5071,12.26
3787,amygdalin,bmse000139,5,121.2539,2.79
3788,amygdalin,bmse000139,6,105.5549,5
3789,amygdalin,bmse000139,7,104.1485,4.67
3790,amygdalin,bmse000139,8,78.6035,5.33
3791,amygdalin,bmse000139,9,78.2945,5.19
3792,amygdalin,bmse000139,10,78.182,4.9
3793,amygdalin,bmse000139,11,78.0819,4.95
3794,amygdalin,bmse000139,12,75.9,5.09
3795,amygdalin,bmse000139,13,75.4567,4.78
3796,amygdalin,bmse000139,14,72.369,5.36
3797,amygdalin,bmse000139,15,71.8621,4.67
3798,amygdalin,bmse000139,16,71.7644,5.77
3799,amygdalin,bmse000139,17,70.9831,3.34
3800,amygdalin,bmse000139,18,63.4233,3.79
3801,D_cellobiose,bmse000138,1,105.2663,8.21
3802,D_cellobiose,bmse000138,2,105.2381,5.61
3803,D_cellobiose,bmse000138,3,98.4528,7.32
3804,D_cellobiose,bmse000138,4,94.5197,4.61
3805,D_cellobiose,bmse000138,5,81.4215,4.68
3806,D_cellobiose,bmse000138,6,81.2838,7.67
3807,D_cellobiose,bmse000138,7,78.6932,12.12
3808,D_cellobiose,bmse000138,8,78.1874,12.5
3809,D_cellobiose,bmse000138,9,77.5013,7.76
3810,D_cellobiose,bmse000138,10,76.9856,7.78
3811,D_cellobiose,bmse000138,11,76.5907,7.38
3812,D_cellobiose,bmse000138,12,75.8703,9.08
3813,D_cellobiose,bmse000138,13,74.0348,4.8
3814,D_cellobiose,bmse000138,14,73.925,5.13
3815,D_cellobiose,bmse000138,15,72.8163,4.72
3816,D_cellobiose,bmse000138,16,72.1615,6.12
3817,D_cellobiose,bmse000138,17,72.1439,8.59
3818,D_cellobiose,bmse000138,18,63.2643,6.56
3819,D_cellobiose,bmse000138,19,62.74,5.36
3820,D_cellobiose,bmse000138,20,62.606,3.56
3821,gamma_D_galactonolactone,bmse000141,1,178.7234,2.86
3822,gamma_D_galactonolactone,bmse000141,2,82.7298,12.5
3823,gamma_D_galactonolactone,bmse000141,3,76.4007,12.48
3824,gamma_D_galactonolactone,bmse000141,4,75.5187,12.19
3825,gamma_D_galactonolactone,bmse000141,5,74.2346,3.63
3826,gamma_D_galactonolactone,bmse000141,6,74.0161,3.26
3827,gamma_D_galactonolactone,bmse000141,7,72.7812,3.45
3828,gamma_D_galactonolactone,bmse000141,8,72.4324,3.36
3829,gamma_D_galactonolactone,bmse000141,9,71.5773,12.34
3830,gamma_D_galactonolactone,bmse000141,10,66.0277,3.07
3831,gamma_D_galactonolactone,bmse000141,11,64.6899,11.19
3832,D_glucuronate,bmse000140,1,179.6525,1.52
3833,D_glucuronate,bmse000140,2,178.6724,2.78
3834,D_glucuronate,bmse000140,3,98.5755,11.73
3835,D_glucuronate,bmse000140,4,94.8123,7.69
3836,D_glucuronate,bmse000140,5,78.959,12.5
3837,D_glucuronate,bmse000140,6,78.2467,11.99
3838,D_glucuronate,bmse000140,7,76.6906,11.59
3839,D_glucuronate,bmse000140,8,75.2591,7.37
3840,D_glucuronate,bmse000140,9,74.8051,6.93
3841,D_glucuronate,bmse000140,10,74.5748,8
3842,D_glucuronate,bmse000140,11,74.5431,12.46
3843,D_glucuronate,bmse000140,12,73.9985,7.55
3844,L_gulonolactone,bmse000235,1,180.7006,2.42
3845,L_gulonolactone,bmse000235,2,84.0626,11.74
3846,L_gulonolactone,bmse000235,3,76.1965,2.96
3847,L_gulonolactone,bmse000235,4,75.331,3.02
3848,L_gulonolactone,bmse000235,5,74.9955,3.01
3849,L_gulonolactone,bmse000235,6,73.5223,12.5
3850,L_gulonolactone,bmse000235,7,73.1631,3.21
3851,L_gulonolactone,bmse000235,8,72.7983,12.19
3852,L_gulonolactone,bmse000235,9,72.2798,12.42
3853,L_gulonolactone,bmse000235,10,65.2205,2.74
3854,L_gulonolactone,bmse000235,11,64.1843,11.09
3855,glycogen,bmse000232,1,102.5103,8.96
3856,glycogen,bmse000232,2,79.5505,5.53
3857,glycogen,bmse000232,3,75.5834,9.32
3858,glycogen,bmse000232,4,74.2061,12.5
3859,glycogen,bmse000232,5,72.0454,4.53
3860,glycogen,bmse000232,6,63.2055,9.29
3861,melibiose,bmse000233,1,100.9084,5.19
3862,melibiose,bmse000233,2,100.8632,7.98
3863,melibiose,bmse000233,3,98.7735,7.66
3864,melibiose,bmse000233,4,94.8931,4.76
3865,melibiose,bmse000233,5,78.5818,7.97
3866,melibiose,bmse000233,6,77.0484,7.73
3867,melibiose,bmse000233,7,76.7428,7.76
3868,melibiose,bmse000233,8,75.6402,4.58
3869,melibiose,bmse000233,9,74.1149,4.63
3870,melibiose,bmse000233,10,73.6528,8.49
3871,melibiose,bmse000233,11,72.7893,4.29
3872,melibiose,bmse000233,12,72.267,4.52
3873,melibiose,bmse000233,13,72.1674,11.07
3874,melibiose,bmse000233,14,72.1167,8.55
3875,melibiose,bmse000233,15,71.8963,12.5
3876,melibiose,bmse000233,16,71.1803,5.19
3877,melibiose,bmse000233,17,71.1491,7.83
3878,melibiose,bmse000233,18,68.5995,3.44
3879,melibiose,bmse000233,19,68.5046,5.7
3880,melibiose,bmse000233,20,63.7983,7.42
3881,D_glucono_1_5_lactone,bmse000230,1,181.2312,2.98
3882,D_glucono_1_5_lactone,bmse000230,2,76.6877,12.5
3883,D_glucono_1_5_lactone,bmse000230,3,75.204,12.42
3884,D_glucono_1_5_lactone,bmse000230,4,73.8622,12.42
3885,D_glucono_1_5_lactone,bmse000230,5,73.6372,12.42
3886,D_glucono_1_5_lactone,bmse000230,6,65.3046,10.99
3887,N_acetyl_D_glucosamine,bmse000231,1,177.4899,2.8
3888,N_acetyl_D_glucosamine,bmse000231,2,177.2462,4.07
3889,N_acetyl_D_glucosamine,bmse000231,3,97.6343,8.26
3890,N_acetyl_D_glucosamine,bmse000231,4,93.5456,12.5
3891,N_acetyl_D_glucosamine,bmse000231,5,78.6606,9.02
3892,N_acetyl_D_glucosamine,bmse000231,6,76.5921,8.56
3893,N_acetyl_D_glucosamine,bmse000231,7,74.2719,12.4
3894,N_acetyl_D_glucosamine,bmse000231,8,73.3628,12.21
3895,N_acetyl_D_glucosamine,bmse000231,9,72.7507,12.34
3896,N_acetyl_D_glucosamine,bmse000231,10,72.5242,8.84
3897,N_acetyl_D_glucosamine,bmse000231,11,63.4249,7.22
3898,N_acetyl_D_glucosamine,bmse000231,12,63.2564,10.49
3899,N_acetyl_D_glucosamine,bmse000231,13,59.3824,8.25
3900,N_acetyl_D_glucosamine,bmse000231,14,56.8002,11.86
3901,N_acetyl_D_glucosamine,bmse000231,15,24.8865,6.38
3902,N_acetyl_D_glucosamine,bmse000231,16,24.609,9.19
3903,polygalacturonic_acid,bmse000228,1,178.1914,12.5
3904,polygalacturonic_acid,bmse000228,2,101.6522,9.97
3905,polygalacturonic_acid,bmse000228,3,80.5569,9.65
3906,polygalacturonic_acid,bmse000228,4,73.9772,8.45
3907,polygalacturonic_acid,bmse000228,5,71.4996,8.28
3908,polygalacturonic_acid,bmse000228,6,70.7598,8.29
3909,polygalacturonic_acid,bmse000228,7,26.4074,3.65
3910,D_saccharate,bmse000239,1,181.3679,2.13
3911,D_saccharate,bmse000239,2,181.237,1.95
3912,D_saccharate,bmse000239,3,76.4264,11.96
3913,D_saccharate,bmse000239,4,76.4165,12.5
3914,D_saccharate,bmse000239,5,76.2846,9.51
3915,D_saccharate,bmse000239,6,74.3621,9.95
3916,stachyose,bmse000240,1,106.5168,12.21
3917,stachyose,bmse000240,2,101.06,8.92
3918,stachyose,bmse000240,3,100.7169,10.76
3919,stachyose,bmse000240,4,94.8219,8.89
3920,stachyose,bmse000240,5,84.0524,9.16
3921,stachyose,bmse000240,6,78.9976,9.04
3922,stachyose,bmse000240,7,76.6795,9.2
3923,stachyose,bmse000240,8,75.4111,9
3924,stachyose,bmse000240,9,73.9757,8.23
3925,stachyose,bmse000240,10,73.7006,10.47
3926,stachyose,bmse000240,11,73.6476,9.63
3927,stachyose,bmse000240,12,72.1972,12.5
3928,stachyose,bmse000240,13,72.173,10.25
3929,stachyose,bmse000240,14,72.0684,10.06
3930,stachyose,bmse000240,15,72.0362,10.92
3931,stachyose,bmse000240,16,71.9303,12.49
3932,stachyose,bmse000240,17,71.5019,8.73
3933,stachyose,bmse000240,18,71.1393,9.07
3934,stachyose,bmse000240,19,70.9835,10.63
3935,stachyose,bmse000240,20,69.1734,6.48
3936,stachyose,bmse000240,21,68.5201,5.87
3937,stachyose,bmse000240,22,65.1886,8.65
3938,stachyose,bmse000240,23,64.0756,7.23
3939,stachyose,bmse000240,24,63.8499,10.36
3940,L_tartaric_acid,bmse000167,1,181.2992,12.5
3941,D_xylonate_cadmium,bmse000166,1,181.2863,3.14
3942,D_xylonate_cadmium,bmse000166,2,75.334,10.18
3943,D_xylonate_cadmium,bmse000166,3,75.0844,12.5
3944,D_xylonate_cadmium,bmse000166,4,65.059,9.59
3945,N_acetyl_D_glucosamine_1_phosphate,bmse000163,1,177.4252,6.68
3946,N_acetyl_D_glucosamine_1_phosphate,bmse000163,2,95.4941,6.42
3947,N_acetyl_D_glucosamine_1_phosphate,bmse000163,3,95.4396,6.74
3948,N_acetyl_D_glucosamine_1_phosphate,bmse000163,4,74.801,12.35
3949,N_acetyl_D_glucosamine_1_phosphate,bmse000163,5,74.139,11.43
3950,N_acetyl_D_glucosamine_1_phosphate,bmse000163,6,72.7232,12.5
3951,N_acetyl_D_glucosamine_1_phosphate,bmse000163,7,63.4049,10.26
3952,N_acetyl_D_glucosamine_1_phosphate,bmse000163,8,60.1376,1.31
3953,N_acetyl_D_glucosamine_1_phosphate,bmse000163,9,56.8998,5.8
3954,N_acetyl_D_glucosamine_1_phosphate,bmse000163,10,56.8264,6.12
3955,N_acetyl_D_glucosamine_1_phosphate,bmse000163,11,24.8578,11.78
3956,N_acetyl_D_glucosamine_1_phosphate,bmse000163,12,19.5062,1.22
3957,L_ornithine,bmse000162,1,177.052,2.52
3958,L_ornithine,bmse000162,2,56.8032,12.42
3959,L_ornithine,bmse000162,3,41.5581,10.67
3960,L_ornithine,bmse000162,4,30.183,12.5
3961,L_ornithine,bmse000162,5,25.4674,10.78
3962,D_alanine,bmse000236,1,178.5839,1.59
3963,D_alanine,bmse000236,2,53.2011,9.79
3964,D_alanine,bmse000236,3,18.8519,12.5
3965,4_nitrophenol,bmse000223,1,130.0111,12.5
3966,4_nitrophenol,bmse000223,2,129.9947,12.29
3967,4_nitrophenol,bmse000223,3,120.3011,8.51
3968,4_nitrophenol,bmse000223,4,120.2591,10.79
3969,D_L_glyceraldehyde,bmse000225,1,92.4597,11.03
3970,D_L_glyceraldehyde,bmse000225,2,76.7639,11.48
3971,D_L_glyceraldehyde,bmse000225,3,64.6759,12.5
3972,4_hydroxycinnamic_acid,bmse000150,1,178.908,1.38
3973,4_hydroxycinnamic_acid,bmse000150,2,159.818,1.85
3974,4_hydroxycinnamic_acid,bmse000150,3,143.5246,4.55
3975,4_hydroxycinnamic_acid,bmse000150,4,132.2994,11.74
3976,4_hydroxycinnamic_acid,bmse000150,5,130.1932,2.25
3977,4_hydroxycinnamic_acid,bmse000150,6,124.1229,4.91
3978,4_hydroxycinnamic_acid,bmse000150,7,118.5321,12.5
3979,alpha_D_galactose_1_phosphate,bmse000151,1,96.62,5.96
3980,alpha_D_galactose_1_phosphate,bmse000151,2,96.566,5.93
3981,alpha_D_galactose_1_phosphate,bmse000151,3,73.8281,11.4
3982,alpha_D_galactose_1_phosphate,bmse000151,4,72.304,10.42
3983,alpha_D_galactose_1_phosphate,bmse000151,5,72.1558,12.5
3984,alpha_D_galactose_1_phosphate,bmse000151,6,71.7402,5.87
3985,alpha_D_galactose_1_phosphate,bmse000151,7,71.6737,5.84
3986,alpha_D_galactose_1_phosphate,bmse000151,8,64.0705,10.09
3987,dAMP,bmse000250,1,155.0627,3.71
3988,dAMP,bmse000250,2,142.9366,3.42
3989,dAMP,bmse000250,3,90.1821,11.54
3990,dAMP,bmse000250,4,87.3797,7.1
3991,dAMP,bmse000250,5,74.0139,10.26
3992,dAMP,bmse000250,6,64.4148,12.5
3993,dAMP,bmse000250,7,41.7694,7.82
3994,Oxalosuccinate,bmse000251,1,184.1371,2.15
3995,Oxalosuccinate,bmse000251,2,172.7664,1.95
3996,Oxalosuccinate,bmse000251,3,52.8383,1.48
3997,Oxalosuccinate,bmse000251,4,38.5758,5.93
4216,CoA,bmse000271,48,39.1263,1.74
3998,Oxalosuccinate,bmse000251,5,38.454,1.48
3999,Oxalosuccinate,bmse000251,6,38.2644,1.54
4000,Oxalosuccinate,bmse000251,7,38.0683,1.39
4001,Oxalosuccinate,bmse000251,8,36.9355,3.83
4002,Oxalosuccinate,bmse000251,9,35.3007,1.19
4003,Oxalosuccinate,bmse000251,10,34.9692,1.16
4004,Oxalosuccinate,bmse000251,11,33.3147,5.48
4005,Oxalosuccinate,bmse000251,12,33.2611,6.95
4006,Oxalosuccinate,bmse000251,13,33.2048,12.5
4007,Oxalosuccinate,bmse000251,14,25.9719,1.99
4008,Salicylate,bmse000252,1,178.336,1.8
4009,Salicylate,bmse000252,2,162.3095,1.9
4010,Salicylate,bmse000252,3,136.7054,12.5
4011,Salicylate,bmse000252,4,133.2002,11.8
4012,Salicylate,bmse000252,5,122.0978,11.69
4013,Salicylate,bmse000252,6,120.713,2.32
4014,Salicylate,bmse000252,7,119.007,12.31
4015,dADP,bmse000253,1,158.1421,4.9
4016,dADP,bmse000253,2,155.3005,9.18
4017,dADP,bmse000253,3,151.2181,2.23
4018,dADP,bmse000253,4,142.6258,3.6
4019,dADP,bmse000253,5,121.1832,1.88
4020,dADP,bmse000253,6,88.4189,5.03
4021,dADP,bmse000253,7,88.3329,5.02
4022,dADP,bmse000253,8,86.1412,10.03
4023,dADP,bmse000253,9,73.3197,12.5
4024,dADP,bmse000253,10,67.3652,4.1
4025,dADP,bmse000253,11,67.3129,3.98
4026,dADP,bmse000253,12,41.5514,9.81
4027,D_Fructose_1_phosphate,bmse000254,1,100.8301,3.74
4028,D_Fructose_1_phosphate,bmse000254,2,100.7578,3.97
4029,D_Fructose_1_phosphate,bmse000254,3,83.1443,1.21
4030,D_Fructose_1_phosphate,bmse000254,4,78.79,1.8
4031,D_Fructose_1_phosphate,bmse000254,5,76.8304,1.21
4032,D_Fructose_1_phosphate,bmse000254,6,72.0493,12.5
4033,D_Fructose_1_phosphate,bmse000254,7,71.8351,11.69
4034,D_Fructose_1_phosphate,bmse000254,8,70.5098,12.35
4035,D_Fructose_1_phosphate,bmse000254,9,68.9967,5.19
4036,D_Fructose_1_phosphate,bmse000254,10,68.9492,5.25
4037,D_Fructose_1_phosphate,bmse000254,11,66.0887,9.73
4038,D_Fructose_1_phosphate,bmse000254,12,64.969,2.12
4039,D_Fructose_1_phosphate,bmse000254,13,64.1264,1.29
4040,ITP,bmse000255,1,161.4399,4.25
4041,ITP,bmse000255,2,151.5943,2.62
4042,ITP,bmse000255,3,149.0201,9.65
4043,ITP,bmse000255,4,142.5226,5.74
4044,ITP,bmse000255,5,126.3562,2.24
4045,ITP,bmse000255,6,90.276,1.56
4046,ITP,bmse000255,7,89.9312,10.81
4047,ITP,bmse000255,8,86.8306,5.65
4048,ITP,bmse000255,9,86.7415,5.81
4049,ITP,bmse000255,10,77.2254,2.18
4050,ITP,bmse000255,11,77.1273,12.5
4051,ITP,bmse000255,12,72.8596,11.68
4052,ITP,bmse000255,13,72.5243,2.14
4053,ITP,bmse000255,14,67.7479,4.35
4054,ITP,bmse000255,15,67.695,4.23
4055,Formaldehyde,bmse000256,1,84.4358,12.5
4056,FMN,bmse000257,1,163.2526,6.78
4057,FMN,bmse000257,2,160.3175,7.33
4058,FMN,bmse000257,3,153.429,6.6
4059,FMN,bmse000257,4,152.3129,4.11
4060,FMN,bmse000257,5,142.1584,7.18
4061,FMN,bmse000257,6,136.6282,6.86
4062,FMN,bmse000257,7,136.1877,6.82
4063,FMN,bmse000257,8,134.1083,4
4064,FMN,bmse000257,9,132.8224,4.98
4065,FMN,bmse000257,10,119.7064,4.78
4066,FMN,bmse000257,11,75.2209,6.14
4067,FMN,bmse000257,12,74.4868,3.9
4068,FMN,bmse000257,13,74.4237,3.92
4069,FMN,bmse000257,14,72.0087,6.36
4070,FMN,bmse000257,15,67.8012,3.52
4071,FMN,bmse000257,16,50.1474,2.93
4072,FMN,bmse000257,17,23.466,11.62
4073,FMN,bmse000257,18,21.3437,12.5
4074,Glycolaldehyde,bmse000258,1,92.374,9.81
4075,Glycolaldehyde,bmse000258,2,67.1623,12.5
4076,4_Hydroxybenzaldehyde,bmse000259,1,197.0798,3.76
4077,4_Hydroxybenzaldehyde,bmse000259,2,136.1538,9.71
4078,4_Hydroxybenzaldehyde,bmse000259,3,129.545,1.03
4079,4_Hydroxybenzaldehyde,bmse000259,4,119.8609,12.5
4080,Nicotinamide_D_ribonucleotide,bmse000260,1,175.8236,3.35
4081,Nicotinamide_D_ribonucleotide,bmse000260,2,141.0654,10.52
4082,Nicotinamide_D_ribonucleotide,bmse000260,3,127.6138,9.12
4083,Nicotinamide_D_ribonucleotide,bmse000260,4,108.182,10.66
4084,Nicotinamide_D_ribonucleotide,bmse000260,5,103.4044,6.52
4085,Nicotinamide_D_ribonucleotide,bmse000260,6,103.1839,1.61
4086,Nicotinamide_D_ribonucleotide,bmse000260,7,97.6396,11.48
4087,Nicotinamide_D_ribonucleotide,bmse000260,8,85.9422,6.34
4088,Nicotinamide_D_ribonucleotide,bmse000260,9,85.8555,6.04
4089,Nicotinamide_D_ribonucleotide,bmse000260,10,80.4925,1.81
4090,Nicotinamide_D_ribonucleotide,bmse000260,11,74.2063,1.79
4091,Nicotinamide_D_ribonucleotide,bmse000260,12,73.4952,12.5
4092,Nicotinamide_D_ribonucleotide,bmse000260,13,73.3372,12.21
4093,Nicotinamide_D_ribonucleotide,bmse000260,14,66.7617,5.06
4094,Nicotinamide_D_ribonucleotide,bmse000260,15,66.7167,4.78
4095,Nicotinamide_D_ribonucleotide,bmse000260,16,24.6964,9.6
4096,Acetyl_phosphate,bmse000261,1,175.0096,3.44
4097,Acetyl_phosphate,bmse000261,2,25.9801,10.24
4098,Acetyl_phosphate,bmse000261,3,24.7883,12.5
4217,CoA,bmse000271,49,38.2973,1.72
4099,Acetyl_phosphate,bmse000261,4,24.7425,11.1
4100,3_4_Hydroxyphenyl_pyruvate,bmse000262,1,157.3242,1.3
4101,3_4_Hydroxyphenyl_pyruvate,bmse000262,2,133.865,7.91
4102,3_4_Hydroxyphenyl_pyruvate,bmse000262,3,118.3826,12.5
4103,3_4_Hydroxyphenyl_pyruvate,bmse000262,4,117.7478,1.45
4104,NADP,bmse000263,1,167.8496,4.47
4105,NADP,bmse000263,2,158.1147,5.39
4106,NADP,bmse000263,3,155.428,9.01
4107,NADP,bmse000263,4,151.6757,5.76
4108,NADP,bmse000263,5,148.3745,7.75
4109,NADP,bmse000263,6,145.0167,6.29
4110,NADP,bmse000263,7,142.8886,8.29
4111,NADP,bmse000263,8,142.5477,5.92
4112,NADP,bmse000263,9,136.304,8.28
4113,NADP,bmse000263,10,131.3453,8.51
4114,NADP,bmse000263,11,121.1612,3.82
4115,NADP,bmse000263,12,102.729,11.11
4116,NADP,bmse000263,13,89.8221,5.86
4117,NADP,bmse000263,14,89.7336,5.64
4118,NADP,bmse000263,15,89.2538,5.26
4119,NADP,bmse000263,16,89.1719,5.28
4120,NADP,bmse000263,17,85.7472,5.48
4121,NADP,bmse000263,18,85.6577,5.52
4122,NADP,bmse000263,19,80.3221,12.5
4123,NADP,bmse000263,20,78.7636,5.55
4124,NADP,bmse000263,21,78.722,5.71
4125,NADP,bmse000263,22,73.3731,12.23
4126,NADP,bmse000263,23,72.7335,7.06
4127,NADP,bmse000263,24,68.2193,4.11
4128,NADP,bmse000263,25,67.6754,4.43
4129,NADP,bmse000263,26,57.0544,1.98
4130,4_Nitrophenyl_phosphate,bmse000264,1,163.0405,1.08
4131,4_Nitrophenyl_phosphate,bmse000264,2,144.5179,1.04
4132,4_Nitrophenyl_phosphate,bmse000264,3,128.4131,12.5
4133,4_Nitrophenyl_phosphate,bmse000264,4,122.6671,7.06
4134,4_Nitrophenyl_phosphate,bmse000264,5,122.6148,7.04
4135,4_Nitrocatechol,bmse000265,1,164.1278,1.69
4136,4_Nitrocatechol,bmse000265,2,148.5107,2.32
4137,4_Nitrocatechol,bmse000265,3,138.4594,1.3
4138,4_Nitrocatechol,bmse000265,4,122.9045,11.12
4139,4_Nitrocatechol,bmse000265,5,118.6529,12.08
4140,4_Nitrocatechol,bmse000265,6,112.45,12.5
4141,UDP,bmse000266,1,169.0888,5
4142,UDP,bmse000266,2,154.545,3.74
4143,UDP,bmse000266,3,144.5243,8.52
4144,UDP,bmse000266,4,105.234,10.35
4145,UDP,bmse000266,5,91.4445,11.2
4146,UDP,bmse000266,6,85.9024,5.62
4147,UDP,bmse000266,7,85.8136,5.66
4148,UDP,bmse000266,8,76.5959,12.5
4149,UDP,bmse000266,9,71.8259,11.92
4150,UDP,bmse000266,10,66.8315,4.4
4151,UDP,bmse000266,11,66.7792,4.54
4152,Formamide,bmse000267,1,169.4492,12.5
4153,R_Lactate,bmse000269,1,185.265,2.92
4154,R_Lactate,bmse000269,2,71.1978,10.49
4155,R_Lactate,bmse000269,3,22.7641,12.5
4156,GDP,bmse000270,1,161.6068,4.89
4157,GDP,bmse000270,2,156.6326,5.27
4158,GDP,bmse000270,3,154.1538,4.67
4159,GDP,bmse000270,4,140.2801,1.14
4160,GDP,bmse000270,5,140.1096,6.84
4161,GDP,bmse000270,6,118.7579,3.69
4162,GDP,bmse000270,7,89.8065,11.14
4163,GDP,bmse000270,8,86.2198,5.66
4164,GDP,bmse000270,9,86.132,5.77
4165,GDP,bmse000270,10,76.7534,12.5
4166,GDP,bmse000270,11,72.5131,12.28
4167,GDP,bmse000270,12,67.1729,4.45
4168,GDP,bmse000270,13,67.1215,4.26
4169,CoA,bmse000271,1,177.6817,2.7
4170,CoA,bmse000271,2,177.4294,8.2
4171,CoA,bmse000271,3,176.8233,2.08
4172,CoA,bmse000271,4,176.7106,6.6
4173,CoA,bmse000271,5,158.389,5.21
4174,CoA,bmse000271,6,155.6654,8.04
4175,CoA,bmse000271,7,155.5753,5.97
4176,CoA,bmse000271,8,152.1398,5.55
4177,CoA,bmse000271,9,152.0219,2.76
4178,CoA,bmse000271,10,142.9347,4.88
4179,CoA,bmse000271,11,142.6212,6.68
4180,CoA,bmse000271,12,121.3186,3.76
4181,CoA,bmse000271,13,89.3885,6.08
4182,CoA,bmse000271,14,89.1901,9.09
4183,CoA,bmse000271,15,87.3585,1.54
4184,CoA,bmse000271,16,87.3087,1.85
4185,CoA,bmse000271,17,87.2237,1.74
4186,CoA,bmse000271,18,86.8498,2.3
4187,CoA,bmse000271,19,86.7595,2.57
4188,CoA,bmse000271,20,85.3884,1.1
4189,CoA,bmse000271,21,79.6453,1.28
4190,CoA,bmse000271,22,79.1396,1.19
4191,CoA,bmse000271,23,78.2226,1.22
4192,CoA,bmse000271,24,77.5422,4.25
4193,CoA,bmse000271,25,77.2177,3.82
4194,CoA,bmse000271,26,77.1851,3.69
4195,CoA,bmse000271,27,76.9949,5.4
4196,CoA,bmse000271,28,76.9604,4.74
4197,CoA,bmse000271,29,76.7805,9.52
4198,CoA,bmse000271,30,76.4673,4.19
4199,CoA,bmse000271,31,76.4236,8.22
4200,CoA,bmse000271,32,76.3796,5.46
4201,CoA,bmse000271,33,74.5542,4.24
4202,CoA,bmse000271,34,74.4922,3.65
4203,CoA,bmse000271,35,73.328,2.2
4204,CoA,bmse000271,36,73.2765,1.86
4205,CoA,bmse000271,37,68.4744,3.83
4206,CoA,bmse000271,38,68.4222,3.88
4207,CoA,bmse000271,39,66.6691,2.47
4208,CoA,bmse000271,40,66.6238,2.86
4209,CoA,bmse000271,41,45.0428,4.93
4210,CoA,bmse000271,42,44.9976,11.76
4211,CoA,bmse000271,43,44.9048,1.18
4212,CoA,bmse000271,44,41.1259,2.81
4218,CoA,bmse000271,50,38.1621,9.87
4219,CoA,bmse000271,51,38.0817,9.25
4220,CoA,bmse000271,52,25.7997,12.5
4221,CoA,bmse000271,53,24.0869,1.45
4222,CoA,bmse000271,54,23.9984,3.96
4223,CoA,bmse000271,55,23.5128,8.93
4224,CoA,bmse000271,56,22.6789,1.36
4225,CoA,bmse000271,57,20.9419,3.81
4226,CoA,bmse000271,58,20.7819,9.63
4227,CoA,bmse000271,59,20.1012,1.78
4228,CDP,bmse000272,1,168.8761,4.9
4229,CDP,bmse000272,2,160.4002,4.39
4230,CDP,bmse000272,3,144.5698,1.09
4231,CDP,bmse000272,4,144.266,8.55
4232,CDP,bmse000272,5,99.3648,1.46
4233,CDP,bmse000272,6,99.2242,9.38
4234,CDP,bmse000272,7,92.2295,11.24
4235,CDP,bmse000272,8,91.8456,1.72
4236,CDP,bmse000272,9,85.3396,5.74
4237,CDP,bmse000272,10,85.2502,5.69
4238,CDP,bmse000272,11,77.0076,12.5
4239,CDP,bmse000272,12,72.3706,1.47
4240,CDP,bmse000272,13,71.4858,12.07
4241,CDP,bmse000272,14,66.6366,4.51
4242,CDP,bmse000272,15,66.5841,4.41
4243,D_Aspartate,bmse000273,1,180.3052,2.2
4244,D_Aspartate,bmse000273,2,177.0122,1.98
4245,D_Aspartate,bmse000273,3,54.9072,9.91
4246,D_Aspartate,bmse000273,4,39.2644,12.5
4247,Thiamin,bmse000274,1,171.726,5.58
4248,Thiamin,bmse000274,2,164.5163,3.11
4249,Thiamin,bmse000274,3,159.8969,10.99
4250,Thiamin,bmse000274,4,145.552,3.59
4251,Thiamin,bmse000274,5,138.7379,4.97
4252,Thiamin,bmse000274,6,107.1899,6.29
4253,Thiamin,bmse000274,7,63.1255,12.5
4254,Thiamin,bmse000274,8,53.7574,10.69
4255,Thiamin,bmse000274,9,31.9248,12.41
4256,Thiamin,bmse000274,10,26.7632,11.25
4257,Thiamin,bmse000274,11,13.8517,12.02
4258,D_Fructose_2_6_bisphosphate,bmse000275,1,106.8714,4.79
4259,D_Fructose_2_6_bisphosphate,bmse000275,2,106.8017,4.74
4260,D_Fructose_2_6_bisphosphate,bmse000275,3,82.9825,6.41
4261,D_Fructose_2_6_bisphosphate,bmse000275,4,82.912,6.28
4262,D_Fructose_2_6_bisphosphate,bmse000275,5,80.0513,6.58
4263,D_Fructose_2_6_bisphosphate,bmse000275,6,80.0052,6.39
4264,D_Fructose_2_6_bisphosphate,bmse000275,7,78.0543,12.5
4265,D_Fructose_2_6_bisphosphate,bmse000275,8,68.3553,5.53
4266,D_Fructose_2_6_bisphosphate,bmse000275,9,68.3079,5.71
4267,D_Fructose_2_6_bisphosphate,bmse000275,10,65.2002,7.1
4268,D_Fructose_2_6_bisphosphate,bmse000275,11,60.1397,1.11
4269,D_Fructose_2_6_bisphosphate,bmse000275,12,19.51,1.19
4270,Ethanolamine,bmse000276,1,60.3171,12.5
4271,Ethanolamine,bmse000276,2,43.9507,8.05
4272,CTP,bmse000277,1,168.8983,5.15
4273,CTP,bmse000277,2,160.5208,4.42
4274,CTP,bmse000277,3,144.2311,8.6
4275,CTP,bmse000277,4,99.3524,9.52
4276,CTP,bmse000277,5,91.8085,11.04
4277,CTP,bmse000277,6,85.501,5.68
4278,CTP,bmse000277,7,85.4107,5.57
4279,CTP,bmse000277,8,77.0203,1.35
4280,CTP,bmse000277,9,76.8989,12.5
4281,CTP,bmse000277,10,71.7933,11.89
4282,CTP,bmse000277,11,71.4631,1.06
4283,CTP,bmse000277,12,67.272,4.2
4284,CTP,bmse000277,13,67.2177,4.39
4285,D_Ribulose_5_phosphate,bmse000278,1,103.8241,7.82
4286,D_Ribulose_5_phosphate,bmse000278,2,98.9771,2.24
4287,D_Ribulose_5_phosphate,bmse000278,3,85.3023,1.6
4288,D_Ribulose_5_phosphate,bmse000278,4,84.6704,3.81
4289,D_Ribulose_5_phosphate,bmse000278,5,84.5875,4.13
4290,D_Ribulose_5_phosphate,bmse000278,6,78.03,9.99
4291,D_Ribulose_5_phosphate,bmse000278,7,73.4112,12.5
4292,D_Ribulose_5_phosphate,bmse000278,8,72.931,3.83
4293,D_Ribulose_5_phosphate,bmse000278,9,67.3547,5.39
4294,D_Ribulose_5_phosphate,bmse000278,10,67.3093,5.5
4295,D_Ribulose_5_phosphate,bmse000278,11,66.4813,2.3
4296,Urocanate,bmse000279,1,178.6198,2.5
4297,Urocanate,bmse000279,2,140.3626,11.29
4298,Urocanate,bmse000279,3,137.0776,2.14
4299,Urocanate,bmse000279,4,133.668,10.36
4300,Urocanate,bmse000279,5,124.4849,12.5
4301,Urocanate,bmse000279,6,123.9802,8.38
4302,UMP,bmse000280,1,169.0839,4.57
4303,UMP,bmse000280,2,154.6578,3.41
4304,UMP,bmse000280,3,144.8275,8.54
4305,UMP,bmse000280,4,105.3924,10.43
4306,UMP,bmse000280,5,91.006,11.31
4307,UMP,bmse000280,6,86.9204,5.97
4308,UMP,bmse000280,7,86.8326,6.05
4309,UMP,bmse000280,8,76.6643,12.5
4310,UMP,bmse000280,9,72.7729,12.16
4311,UMP,bmse000280,10,65.9126,4.79
4312,UMP,bmse000280,11,65.8681,4.9
4313,Nicotinamide,bmse000281,1,154.5266,12.5
4314,Nicotinamide,bmse000281,2,150.344,11.49
4315,Nicotinamide,bmse000281,3,139.1539,11.48
4316,Nicotinamide,bmse000281,4,131.9398,1.76
4317,Nicotinamide,bmse000281,5,126.9235,10.76
4318,DL_Alanine,bmse000282,1,178.5738,1.77
4319,DL_Alanine,bmse000282,2,53.2017,9.6
4320,DL_Alanine,bmse000282,3,18.85,12.5
4321,Orotate,bmse000283,1,104.064,12.5
4322,Benzonitrile,bmse000284,1,136.2019,8.6
4323,Benzonitrile,bmse000284,2,135.1116,12.5
4324,Benzonitrile,bmse000284,3,131.8912,12.48
4325,Choline,bmse000285,1,70.1479,3.39
4326,Choline,bmse000285,2,70.1177,3.59
4327,Choline,bmse000285,3,70.0875,3.34
4328,Choline,bmse000285,4,58.3089,8.06
4329,Choline,bmse000285,5,56.621,11.8
4330,Choline,bmse000285,6,56.5813,12.5
4331,Choline,bmse000285,7,56.542,12.01
4332,Acetophenone,bmse000286,1,136.8469,7.17
4333,Acetophenone,bmse000286,2,131.5104,12.5
4334,Acetophenone,bmse000286,3,131.2516,11.84
4335,Acetophenone,bmse000286,4,28.9711,3.47
4336,Pantothenate,bmse000287,1,183.0208,3.24
4337,Pantothenate,bmse000287,2,177.6531,4.02
4338,Pantothenate,bmse000287,3,78.4586,12.5
4339,Pantothenate,bmse000287,4,71.0985,10.81
4340,Pantothenate,bmse000287,5,41.2778,8.26
4341,Pantothenate,bmse000287,6,39.3779,10.45
4342,Pantothenate,bmse000287,7,38.8533,9.94
4343,Pantothenate,bmse000287,8,23.2349,9.96
4344,Pantothenate,bmse000287,9,21.8424,10.1
4345,Pyridoxine,bmse000288,1,163.4259,2.28
4346,Pyridoxine,bmse000288,2,146.9983,3.52
4347,Pyridoxine,bmse000288,3,141.4468,3.78
4348,Pyridoxine,bmse000288,4,138.1842,4.52
4349,Pyridoxine,bmse000288,5,127.4073,3.84
4350,Pyridoxine,bmse000288,6,61.4656,12.5
4351,Pyridoxine,bmse000288,7,58.6687,10.33
4352,Pyridoxine,bmse000288,8,18.2013,8.23
4353,S_Adenosyl_L_homocysteine,bmse000289,1,176.8876,4.61
4354,S_Adenosyl_L_homocysteine,bmse000289,2,158.3878,3.44
4355,S_Adenosyl_L_homocysteine,bmse000289,3,155.6615,9.39
4356,S_Adenosyl_L_homocysteine,bmse000289,4,151.6956,3.2
4357,S_Adenosyl_L_homocysteine,bmse000289,5,142.814,7.91
4358,S_Adenosyl_L_homocysteine,bmse000289,6,121.5644,2.04
4359,S_Adenosyl_L_homocysteine,bmse000289,7,90.125,10.63
4360,S_Adenosyl_L_homocysteine,bmse000289,8,90.0104,2.04
4361,S_Adenosyl_L_homocysteine,bmse000289,9,86.1029,11.9
4362,S_Adenosyl_L_homocysteine,bmse000289,10,75.9715,11.38
4363,S_Adenosyl_L_homocysteine,bmse000289,11,75.0004,12.5
4364,S_Adenosyl_L_homocysteine,bmse000289,12,56.4364,10.43
4365,S_Adenosyl_L_homocysteine,bmse000289,13,36.2065,8.4
4366,S_Adenosyl_L_homocysteine,bmse000289,14,33.1203,8.91
4367,S_Adenosyl_L_homocysteine,bmse000289,15,30.4627,9.14
4368,Phenol,bmse000290,1,132.703,11.87
4369,Phenol,bmse000290,2,123.3534,6.56
4370,Phenol,bmse000290,3,118.0886,12.5
4371,Selenomethionine,bmse000291,1,176.8764,2.7
4372,Selenomethionine,bmse000291,2,57.3265,11.71
4373,Selenomethionine,bmse000291,3,33.5106,11.73
4374,Selenomethionine,bmse000291,4,21.8408,12.5
4375,Selenomethionine,bmse000291,5,5.875,6.96
4376,UDPglucuronate,bmse000292,1,179.1513,4.63
4377,UDPglucuronate,bmse000292,2,169.0242,5.14
4378,UDPglucuronate,bmse000292,3,154.6097,3.93
4379,UDPglucuronate,bmse000292,4,144.2873,8.42
4380,UDPglucuronate,bmse000292,5,105.4108,10.1
4381,UDPglucuronate,bmse000292,6,98.1166,5.83
4382,UDPglucuronate,bmse000292,7,98.0506,5.78
4383,UDPglucuronate,bmse000292,8,91.0126,10.69
4384,UDPglucuronate,bmse000292,9,86.0368,5.52
4385,UDPglucuronate,bmse000292,10,85.9455,5.68
4386,UDPglucuronate,bmse000292,11,76.498,12.5
4387,UDPglucuronate,bmse000292,12,75.7603,10.99
4388,UDPglucuronate,bmse000292,13,75.2986,10.18
4389,UDPglucuronate,bmse000292,14,74.5675,11.19
4390,UDPglucuronate,bmse000292,15,74.1227,5.66
4391,UDPglucuronate,bmse000292,16,74.0395,5.54
4392,UDPglucuronate,bmse000292,17,72.367,11.96
4393,UDPglucuronate,bmse000292,18,67.7081,4.35
4394,UDPglucuronate,bmse000292,19,67.6532,4.54
4395,UDPglucuronate,bmse000292,20,60.142,1.01
4396,UDPglucuronate,bmse000292,21,19.5053,1.3
4397,Hydroquinone,bmse000293,1,151.6552,1.09
4398,Hydroquinone,bmse000293,2,119.0705,12.5
4399,Methanol,bmse000294,1,51.571,12.5
4400,Methanol,bmse000294,2,8.3835,1.29
4401,UTP,bmse000295,1,169.0527,4.84
4402,UTP,bmse000295,2,154.6305,3.56
4403,UTP,bmse000295,3,144.4685,8.62
4404,UTP,bmse000295,4,105.3558,9.9
4405,UTP,bmse000295,5,90.9803,10.91
4406,UTP,bmse000295,6,86.0794,5.45
4407,UTP,bmse000295,7,85.9897,5.66
4408,UTP,bmse000295,8,76.4645,12.5
4409,UTP,bmse000295,9,72.1667,11.59
4410,UTP,bmse000295,10,67.5196,4.26
4411,UTP,bmse000295,11,67.4644,4.32
4412,UTP,bmse000295,12,60.1427,1.1
4413,dTMP,bmse000296,1,169.2356,1.23
4414,dTMP,bmse000296,2,160.5265,1.29
4415,dTMP,bmse000296,3,154.4333,1.31
4416,dTMP,bmse000296,4,140.1216,3.35
4417,dTMP,bmse000296,5,114.2982,2.37
4418,dTMP,bmse000296,6,88.3382,2.04
4419,dTMP,bmse000296,7,88.2519,1.87
4420,dTMP,bmse000296,8,87.8416,3.66
4421,dTMP,bmse000296,9,73.7576,4.03
4422,dTMP,bmse000296,10,69.7071,3.43
4423,dTMP,bmse000296,11,69.6331,3.39
4424,dTMP,bmse000296,12,68.674,6.88
4425,dTMP,bmse000296,13,67.0077,1.54
4426,dTMP,bmse000296,14,66.9519,1.6
4427,dTMP,bmse000296,15,57.1741,5.62
4428,dTMP,bmse000296,16,50.7174,6.42
4429,dTMP,bmse000296,17,47.4494,6.5
4430,dTMP,bmse000296,18,41.3959,3.4
4431,dTMP,bmse000296,19,35.6124,12.5
4432,dTMP,bmse000296,20,27.378,11.97
4433,dTMP,bmse000296,21,27.3297,7.39
4434,dTMP,bmse000296,22,14.3887,4.03
4435,Ethanol,bmse000297,1,60.1347,10.57
4436,Ethanol,bmse000297,2,19.4922,12.5
4437,D_Glyceraldehyde,bmse000298,1,92.4619,11.47
4438,D_Glyceraldehyde,bmse000298,2,76.7643,11.97
4439,D_Glyceraldehyde,bmse000298,3,67.5383,2.02
4440,D_Glyceraldehyde,bmse000298,4,64.6757,12.5
4441,Folate,bmse000299,1,185.1947,10.02
4442,Folate,bmse000299,2,182.1813,8.33
4443,Folate,bmse000299,3,171.6618,6.23
4444,Folate,bmse000299,4,167.4706,1.1
4445,Folate,bmse000299,5,156.8561,3.58
4446,Folate,bmse000299,6,154.9662,1.2
4447,Folate,bmse000299,7,152.4534,5.63
4448,Folate,bmse000299,8,150.9644,2.57
4449,Folate,bmse000299,9,150.4027,4.37
4450,Folate,bmse000299,10,131.6987,1.03
4451,Folate,bmse000299,11,131.3015,7.38
4452,Folate,bmse000299,12,129.0129,4.84
4453,Folate,bmse000299,13,123.0856,5.17
4454,Folate,bmse000299,14,113.9108,6.41
4455,Folate,bmse000299,15,58.6333,8.76
4456,Folate,bmse000299,16,47.4239,2.98
4457,Folate,bmse000299,17,37.0651,12.5
4458,Folate,bmse000299,18,31.1742,7.87
4459,Benzoate,bmse000300,1,138.9121,1.04
4460,Benzoate,bmse000300,2,133.9731,7.03
4461,Benzoate,bmse000300,3,131.4957,12.46
4462,Benzoate,bmse000300,4,131.0181,12.5
4463,1_3_diaminopropane,bmse000001,1,39.3182,12.5
4464,1_3_diaminopropane,bmse000001,2,27.6038,6.62
4465,2_3_diphospho_D_glyceric_acid,bmse000002,1,180.6244,6.14
4466,2_3_diphospho_D_glyceric_acid,bmse000002,2,77.8926,9.81
4467,2_3_diphospho_D_glyceric_acid,bmse000002,3,77.8397,8.95
4468,2_3_diphospho_D_glyceric_acid,bmse000002,4,77.8017,8.58
4469,2_3_diphospho_D_glyceric_acid,bmse000002,5,77.7593,8.04
4470,2_3_diphospho_D_glyceric_acid,bmse000002,6,69.2089,12.5
4471,2_deoxyguanosine,bmse000003,1,140.4376,7.32
4472,2_deoxyguanosine,bmse000003,2,89.8652,7.61
4473,2_deoxyguanosine,bmse000003,3,86.6745,9.57
4474,2_deoxyguanosine,bmse000003,4,73.9059,12.5
4475,2_deoxyguanosine,bmse000003,5,64.3305,8.45
4476,2_deoxyguanosine,bmse000003,6,41.3976,8.86
4477,adenine,bmse000060,1,153.1875,0.8
4478,adenine,bmse000060,2,151.829,1.02
4479,adenine,bmse000060,3,147.5748,11.47
4480,adenine,bmse000060,4,146.3944,12.5
4481,adenine,bmse000060,5,118.324,0.66
4482,adenosine,bmse000061,1,155.2065,8.59
4483,adenosine,bmse000061,2,151.091,3.13
4484,adenosine,bmse000061,3,143.2708,6.58
4485,adenosine,bmse000061,4,91.0332,10.74
4486,adenosine,bmse000061,5,88.5401,11.36
4487,adenosine,bmse000061,6,76.3929,12.5
4488,adenosine,bmse000061,7,73.3525,11.01
4489,adenosine,bmse000061,8,64.2162,10.03
4490,adenosine,bmse000061,9,133.0864,1.07
4491,adonitol,bmse000062,1,74.8925,6.76
4492,adonitol,bmse000062,2,74.8008,11.44
4493,adonitol,bmse000062,3,65.0705,12.5
4494,ADP,bmse000004,1,158.1533,6.68
4495,ADP,bmse000004,2,155.4207,12.01
4496,ADP,bmse000004,3,151.6456,1.97
4497,ADP,bmse000004,4,151.5495,1.81
4498,ADP,bmse000004,5,142.8127,2.95
4499,ADP,bmse000004,6,142.5832,3.64
4500,ADP,bmse000004,7,121.1747,1.72
4501,ADP,bmse000004,8,89.778,10.17
4502,ADP,bmse000004,9,89.5551,6.01
4503,ADP,bmse000004,10,87.4621,3.15
4504,ADP,bmse000004,11,87.3746,3.43
4505,ADP,bmse000004,12,86.4858,4.81
4506,ADP,bmse000004,13,86.3979,5.28
4507,ADP,bmse000004,14,77.2288,6.53
4508,ADP,bmse000004,15,77.0622,12.5
4509,ADP,bmse000004,16,73.4056,6.43
4510,ADP,bmse000004,17,72.6057,12.04
4511,ADP,bmse000004,18,67.1794,3.82
4512,ADP,bmse000004,19,67.1297,3.91
4513,ADP,bmse000004,20,66.2518,2.61
4514,ADP,bmse000004,21,66.2091,2.71
4515,agmatine,bmse000063,1,159.5178,1.15
4516,agmatine,bmse000063,2,43.1542,9.26
4517,agmatine,bmse000063,3,41.7324,8.53
4518,agmatine,bmse000063,4,27.7024,11.07
4519,agmatine,bmse000063,5,26.715,12.5
4520,D_allose,bmse000008,1,96.1036,10.7
4521,D_allose,bmse000008,2,95.5286,1.55
4522,D_allose,bmse000008,3,76.2932,11.82
4523,D_allose,bmse000008,4,74.3841,1.58
4524,D_allose,bmse000008,5,73.9304,11.03
4525,D_allose,bmse000008,6,73.8513,12.02
4526,D_allose,bmse000008,7,69.7109,1.21
4527,D_allose,bmse000008,8,69.5516,1.22
4528,D_allose,bmse000008,9,69.4757,12.5
4529,D_allose,bmse000008,10,68.7507,2.03
4530,D_allose,bmse000008,11,63.8517,10.79
4531,D_allose,bmse000008,12,63.3663,1.24
4532,D_fructose,bmse000010,1,100.7878,2.8
4533,D_fructose,bmse000010,2,83.3844,4
4534,D_fructose,bmse000010,3,78.7409,1.35
4535,D_fructose,bmse000010,4,78.0833,3.23
4536,D_fructose,bmse000010,5,77.1431,3.97
4537,D_fructose,bmse000010,6,72.3808,12.5
4538,D_fructose,bmse000010,7,71.9017,10.92
4539,D_fructose,bmse000010,8,70.2559,10.72
4540,D_fructose,bmse000010,9,66.587,11.06
4541,D_fructose,bmse000010,10,66.0735,12.1
4542,D_fructose,bmse000010,11,65.3682,3.85
4543,D_fructose,bmse000010,12,65.074,4.07
4544,D_galactose,bmse000013,1,99.1714,10.5
4545,D_galactose,bmse000013,2,94.9986,5.59
4546,D_galactose,bmse000013,3,77.8681,12.5
4547,D_galactose,bmse000013,4,75.5121,11.36
4548,D_galactose,bmse000013,5,74.5893,11.5
4549,D_galactose,bmse000013,6,73.1956,6.08
4550,D_galactose,bmse000013,7,72.0185,5.93
4551,D_galactose,bmse000013,8,71.879,5.94
4552,D_galactose,bmse000013,9,71.4595,12.5
4553,D_galactose,bmse000013,10,71.0589,5.22
4554,D_galactose,bmse000013,11,63.8951,5.64
4555,D_galactose,bmse000013,12,63.6909,11.96
4556,D_glucose,bmse000015,1,98.6177,12.18
4557,D_glucose,bmse000015,2,94.8017,7.46
4558,D_glucose,bmse000015,3,78.6602,12.5
4559,D_glucose,bmse000015,4,78.46,12.38
4560,D_glucose,bmse000015,5,76.8429,11.94
4561,D_glucose,bmse000015,6,75.4621,6.95
4562,D_glucose,bmse000015,7,74.1868,7.96
4563,D_glucose,bmse000015,8,74.1521,7.85
4564,D_glucose,bmse000015,9,72.3476,7.59
4565,D_glucose,bmse000015,10,72.3041,12.25
4566,D_glucose,bmse000015,11,63.4496,11.55
4567,D_glucose,bmse000015,12,63.2877,6.43
4568,D_mannose,bmse000018,1,96.747,10.66
4569,D_mannose,bmse000018,2,96.3827,5.27
4570,D_mannose,bmse000018,3,78.8753,4.9
4571,D_mannose,bmse000018,4,75.7486,5.48
4572,D_mannose,bmse000018,5,75.1093,11.15
4573,D_mannose,bmse000018,6,73.9252,5.51
4574,D_mannose,bmse000018,7,73.3921,10.59
4575,D_mannose,bmse000018,8,72.9329,10.68
4576,D_mannose,bmse000018,9,69.5495,10.82
4577,D_mannose,bmse000018,10,69.3058,5.88
4578,D_mannose,bmse000018,11,63.666,12.5
4579,D_psicose,bmse000020,1,105.9793,2.62
4580,D_psicose,bmse000020,2,101.1482,2.31
4581,D_psicose,bmse000020,3,85.4184,12.5
4582,D_psicose,bmse000020,4,77.3405,2.67
4583,D_psicose,bmse000020,5,74.437,5.54
4584,D_psicose,bmse000020,6,73.7152,3.61
4585,D_psicose,bmse000020,7,73.0555,10.59
4586,D_psicose,bmse000020,8,73.0326,11.16
4587,D_psicose,bmse000020,9,72.9119,5.49
4588,D_psicose,bmse000020,10,71.7174,6.08
4589,D_psicose,bmse000020,11,68.562,7.08
4590,D_psicose,bmse000020,12,68.1859,7.9
4591,D_psicose,bmse000020,13,67.7838,6.98
4592,D_psicose,bmse000020,14,66.8844,6.45
4593,D_psicose,bmse000020,15,66.6778,4.36
4594,D_psicose,bmse000020,16,65.9583,9.93
4595,D_psicose,bmse000020,17,65.7568,6.2
4596,D_psicose,bmse000020,18,65.5148,3.26
4597,D_psicose,bmse000020,19,65.0727,3.8
4598,D_psicose,bmse000020,20,64.029,7.13
4599,D_psicose,bmse000020,21,60.6736,5.34
4600,D_sorbose,bmse000022,1,100.4423,2.8
4601,D_sorbose,bmse000022,2,76.5308,8.63
4602,D_sorbose,bmse000022,3,73.0506,8.72
4603,D_sorbose,bmse000022,4,72.1197,12.5
4604,D_sorbose,bmse000022,5,66.1492,9.88
4605,D_sorbose,bmse000022,6,64.4696,11
4606,D_tagatose,bmse000023,1,100.9098,3.49
4607,D_tagatose,bmse000023,2,73.6229,12.5
4608,D_tagatose,bmse000023,3,72.484,10.38
4609,D_tagatose,bmse000023,4,71.9743,2.2
4610,D_tagatose,bmse000023,5,69.0595,10.53
4611,D_tagatose,bmse000023,6,66.5918,10.06
4612,D_tagatose,bmse000023,7,66.403,1.92
4613,D_tagatose,bmse000023,8,66.1917,1.73
4614,D_tagatose,bmse000023,9,64.9495,7.98
4615,D_tagatose,bmse000023,10,62.8345,1.69
4616,D_xylose,bmse000026,1,99.3304,11.78
4617,D_xylose,bmse000026,2,94.9405,6.48
4618,D_xylose,bmse000026,3,78.526,10.11
4619,D_xylose,bmse000026,4,76.7418,12.5
4620,D_xylose,bmse000026,5,75.5229,5.77
4621,D_xylose,bmse000026,6,74.1661,6.42
4622,D_xylose,bmse000026,7,72.1118,6.54
4623,D_xylose,bmse000026,8,71.9378,12.28
4624,D_xylose,bmse000026,9,67.899,10.25
4625,D_xylose,bmse000026,10,63.6456,5.21
4626,alpha_ketoglutaric_acid,bmse000064,1,184.1528,2.07
4627,alpha_ketoglutaric_acid,bmse000064,2,38.5723,12.5
4628,alpha_ketoglutaric_acid,bmse000064,3,33.3219,9.83
4629,alpha_lactose,bmse000065,1,105.6382,8.25
4630,alpha_lactose,bmse000065,2,98.4725,7.33
4631,alpha_lactose,bmse000065,3,94.539,4.05
4632,alpha_lactose,bmse000065,4,81.1636,3.89
4633,alpha_lactose,bmse000065,5,81.0377,6.84
4634,alpha_lactose,bmse000065,6,78.0734,12.5
4635,alpha_lactose,bmse000065,7,77.522,7.34
4636,alpha_lactose,bmse000065,8,77.0808,7.32
4637,alpha_lactose,bmse000065,9,76.5296,7.28
4638,alpha_lactose,bmse000065,10,75.2407,11.24
4639,alpha_lactose,bmse000065,11,74.1286,4.28
4640,alpha_lactose,bmse000065,12,73.8715,4.75
4641,alpha_lactose,bmse000065,13,73.6835,9.31
4642,alpha_lactose,bmse000065,14,72.8271,3.84
4643,alpha_lactose,bmse000065,15,71.272,8.2
4644,alpha_lactose,bmse000065,16,63.7524,7.27
4645,alpha_lactose,bmse000065,17,62.8108,4.95
4646,alpha_lactose,bmse000065,18,62.6765,3.11
4647,4_aminobenzoic_acid,bmse000066,1,133.5667,12.5
4648,4_aminobenzoic_acid,bmse000066,2,128.9442,1.1
4649,4_aminobenzoic_acid,bmse000066,3,117.8119,11.36
4650,AMP,bmse000005,1,158.1415,3.52
4651,AMP,bmse000005,2,155.4083,9.41
4652,AMP,bmse000005,3,151.6344,4.45
4653,AMP,bmse000005,4,142.8031,7.78
4654,AMP,bmse000005,5,121.1486,2.72
4655,AMP,bmse000005,6,89.5563,11.53
4656,AMP,bmse000005,7,87.4594,6.04
4657,AMP,bmse000005,8,87.3722,6.06
4658,AMP,bmse000005,9,77.2299,12.5
4659,AMP,bmse000005,10,73.4036,12.24
4660,AMP,bmse000005,11,66.25,4.83
4661,AMP,bmse000005,12,66.2055,5.13
4662,anthranilic_acid,bmse000067,1,150.2702,2.1
4663,anthranilic_acid,bmse000067,2,134.7227,10.28
4664,anthranilic_acid,bmse000067,3,133.6538,12.5
4665,anthranilic_acid,bmse000067,4,123.4956,1.99
4666,anthranilic_acid,bmse000067,5,120.6937,11.1
4667,anthranilic_acid,bmse000067,6,120.3926,11.42
4668,L_arabitol,bmse000068,1,73.609,12.5
4669,L_arabitol,bmse000068,2,73.1399,11.93
4670,L_arabitol,bmse000068,3,72.9514,12.49
4671,L_arabitol,bmse000068,4,65.7296,10.81
4672,L_arabitol,bmse000068,5,65.6383,9.86
4673,ATP,bmse000006,1,158.2621,4.05
4674,ATP,bmse000006,2,155.4997,9.32
4675,ATP,bmse000006,3,151.7848,3.62
4676,ATP,bmse000006,4,142.6155,7.12
4677,ATP,bmse000006,5,121.2616,2.51
4678,ATP,bmse000006,6,89.3634,10.94
4679,ATP,bmse000006,7,86.7432,5.75
4680,ATP,bmse000006,8,86.6543,5.65
4681,ATP,bmse000006,9,76.9481,12.5
4682,ATP,bmse000006,10,72.9427,11.75
4683,ATP,bmse000006,11,67.8017,4.32
4684,ATP,bmse000006,12,67.7473,4.42
4685,betaine,bmse000069,1,171.9654,1.21
4686,betaine,bmse000069,2,68.893,3.07
4687,betaine,bmse000069,3,68.8587,3.29
4688,betaine,bmse000069,4,68.8297,3.27
4689,betaine,bmse000069,5,56.0898,10.14
4690,betaine,bmse000069,6,56.0509,12.5
4691,betaine,bmse000069,7,56.0118,10.21
4692,betaine_aldehyde,bmse000070,1,87.5694,9.74
4693,betaine_aldehyde,bmse000070,2,56.9587,10.45
4694,betaine_aldehyde,bmse000070,3,56.9195,12.5
4695,betaine_aldehyde,bmse000070,4,56.8886,11.17
4696,cadaverine,bmse000072,1,41.871,11.66
4697,cadaverine,bmse000072,2,28.9617,12.5
4698,cadaverine,bmse000072,3,25.3762,5.64
4699,cAMP,bmse000071,1,158.0318,4.3
4700,cAMP,bmse000071,2,155.524,10.63
4701,cAMP,bmse000071,3,150.7719,4.62
4702,cAMP,bmse000071,4,142.3466,9.68
4703,cAMP,bmse000071,5,121.2041,3.29
4704,cAMP,bmse000071,6,94.2109,12.5
4705,cAMP,bmse000071,7,80.0206,6.2
4706,cAMP,bmse000071,8,79.9754,6.98
4707,cAMP,bmse000071,9,75.0214,7.05
4708,cAMP,bmse000071,10,74.9418,7.25
4709,cAMP,bmse000071,11,74.463,6.46
4710,cAMP,bmse000071,12,70.0836,5.58
4711,cAMP,bmse000071,13,70.0142,5.05
4712,L_canavanine,bmse000073,1,177.0117,3.9
4713,L_canavanine,bmse000073,2,161.2671,2
4714,L_canavanine,bmse000073,3,74.5403,11.99
4715,L_canavanine,bmse000073,4,55.2855,12.02
4716,L_canavanine,bmse000073,5,31.809,12.5
4717,D_carnitine,bmse000074,1,180.7779,2.25
4718,D_carnitine,bmse000074,2,72.8193,4.47
4719,D_carnitine,bmse000074,3,72.7942,3.83
4720,D_carnitine,bmse000074,4,66.791,9.37
4721,D_carnitine,bmse000074,5,56.8328,10.48
4722,D_carnitine,bmse000074,6,56.7941,12.5
4723,D_carnitine,bmse000074,7,56.7554,10.44
4724,D_carnitine,bmse000074,8,45.6802,6.79
4725,chorismic_acid,bmse000075,1,155.9825,4.51
4726,chorismic_acid,bmse000075,2,137.1007,3.63
4727,chorismic_acid,bmse000075,3,132.6303,11.7
4728,chorismic_acid,bmse000075,4,131.7674,9.54
4729,chorismic_acid,bmse000075,5,126.7891,9.9
4730,chorismic_acid,bmse000075,6,95.5643,8.84
4731,chorismic_acid,bmse000075,7,82.3153,12.5
4732,chorismic_acid,bmse000075,8,72.8256,12.45
4733,citrate,bmse000076,1,184.7215,1.13
4734,citrate,bmse000076,2,182.0353,2.11
4735,citrate,bmse000076,3,77.9249,1.44
4736,citrate,bmse000076,4,48.4023,12.5
4737,coumarin,bmse000077,1,163.4646,0.72
4738,coumarin,bmse000077,2,156.7265,1.12
4739,coumarin,bmse000077,3,146.1206,6.54
4740,coumarin,bmse000077,4,134.5133,12.5
4741,coumarin,bmse000077,5,130.5441,8.87
4742,coumarin,bmse000077,6,127.1083,11.93
4743,coumarin,bmse000077,7,121.5098,1.08
4744,coumarin,bmse000077,8,119.5804,6.82
4745,coumarin,bmse000077,9,119.3784,7.14
4746,creatine,bmse000078,1,177.3494,1.87
4747,creatine,bmse000078,2,56.549,12.5
4748,creatine,bmse000078,3,39.6249,7.16
4749,creatine_phosphate,bmse000079,1,177.5977,1.69
4750,creatine_phosphate,bmse000079,2,56.5658,12.5
4751,creatine_phosphate,bmse000079,3,39.5149,7.02
4752,dehydro_proline,bmse000080,1,174.9837,1.15
4753,dehydro_proline,bmse000080,2,128.3998,11.9
4754,dehydro_proline,bmse000080,3,128.1163,10.28
4755,dehydro_proline,bmse000080,4,71.129,8.12
4756,dehydro_proline,bmse000080,5,55.1054,12.5
4757,D_3_phosphoglyceric_acid,bmse000007,1,181.5589,4.18
4758,D_3_phosphoglyceric_acid,bmse000007,2,75.6758,11.64
4759,D_3_phosphoglyceric_acid,bmse000007,3,75.5997,9.71
4760,D_3_phosphoglyceric_acid,bmse000007,4,69.5144,10.45
4761,D_3_phosphoglyceric_acid,bmse000007,5,69.4639,12.5
4762,D_fructose_1_6_bisphosphate,bmse000011,1,107.7441,1.24
4763,D_fructose_1_6_bisphosphate,bmse000011,2,107.6859,1.45
4764,D_fructose_1_6_bisphosphate,bmse000011,3,103.7998,2.79
4765,D_fructose_1_6_bisphosphate,bmse000011,4,103.7169,2.58
4766,D_fructose_1_6_bisphosphate,bmse000011,5,84.7524,1.84
4767,D_fructose_1_6_bisphosphate,bmse000011,6,84.6734,1.8
4768,D_fructose_1_6_bisphosphate,bmse000011,7,84.1618,3.88
4769,D_fructose_1_6_bisphosphate,bmse000011,8,82.4331,4.33
4770,D_fructose_1_6_bisphosphate,bmse000011,9,82.3517,4.54
4771,D_fructose_1_6_bisphosphate,bmse000011,10,79.436,3.58
4772,D_fructose_1_6_bisphosphate,bmse000011,11,78.4857,12.5
4773,D_fructose_1_6_bisphosphate,bmse000011,12,76.8309,8.44
4774,D_fructose_1_6_bisphosphate,bmse000011,13,68.3534,4.96
4775,D_fructose_1_6_bisphosphate,bmse000011,14,67.3714,1.78
4776,D_fructose_1_6_bisphosphate,bmse000011,15,67.0519,6.07
4777,D_fructose_1_6_bisphosphate,bmse000011,16,67.0078,5.96
4778,D_fructose_1_6_bisphosphate,bmse000011,17,66.9036,2.2
4779,D_fructose_1_6_bisphosphate,bmse000011,18,66.8591,2.2
4780,D_fructose_6_phosphate,bmse000012,1,107.1352,1.18
4781,D_fructose_6_phosphate,bmse000012,2,104.1799,5.96
4782,D_fructose_6_phosphate,bmse000012,3,84.4579,2.69
4783,D_fructose_6_phosphate,bmse000012,4,83.1582,1.38
4784,D_fructose_6_phosphate,bmse000012,5,83.081,1.12
4785,D_fructose_6_phosphate,bmse000012,6,82.6592,6.1
4786,D_fructose_6_phosphate,bmse000012,7,82.5783,5.8
4787,D_fructose_6_phosphate,bmse000012,8,78.536,2.85
4788,D_fructose_6_phosphate,bmse000012,9,77.8697,12.5
4789,D_fructose_6_phosphate,bmse000012,10,77.0604,11.73
4790,D_fructose_6_phosphate,bmse000012,11,67.0498,5.65
4791,D_fructose_6_phosphate,bmse000012,12,67.0041,5.36
4792,D_fructose_6_phosphate,bmse000012,13,66.1661,1.42
4793,D_fructose_6_phosphate,bmse000012,14,65.5593,2.38
4794,D_fructose_6_phosphate,bmse000012,15,65.331,9.82
4795,D_glucosamine,bmse000014,1,96.4205,8.72
4796,D_glucosamine,bmse000014,2,92.2506,9.77
4797,D_glucosamine,bmse000014,3,78.8513,9.64
4798,D_glucosamine,bmse000014,4,75.5831,6.35
4799,D_glucosamine,bmse000014,5,74.3295,12.27
4800,D_glucosamine,bmse000014,6,72.756,10.13
4801,D_glucosamine,bmse000014,7,72.4003,6.63
4802,D_glucosamine,bmse000014,8,72.3164,12.5
4803,D_glucosamine,bmse000014,9,63.2588,6.09
4804,D_glucosamine,bmse000014,10,63.0618,8.38
4805,D_glucosamine,bmse000014,11,59.6201,8.02
4806,D_glucosamine,bmse000014,12,57.0959,11.82
4807,D_glucose_6_phosphate,bmse000016,1,98.7788,8.55
4808,D_glucose_6_phosphate,bmse000016,2,94.9276,4.89
4809,D_glucose_6_phosphate,bmse000016,3,78.1764,4.82
4810,D_glucose_6_phosphate,bmse000016,4,78.106,3.56
4811,D_glucose_6_phosphate,bmse000016,5,77.9455,6.69
4812,D_glucose_6_phosphate,bmse000016,6,76.9831,9.41
4813,D_glucose_6_phosphate,bmse000016,7,75.0341,3.92
4814,D_glucose_6_phosphate,bmse000016,8,74.314,4.27
4815,D_glucose_6_phosphate,bmse000016,9,73.8171,2.12
4816,D_glucose_6_phosphate,bmse000016,10,73.7484,2.83
4817,D_glucose_6_phosphate,bmse000016,11,71.7635,12.5
4818,D_glucose_6_phosphate,bmse000016,12,65.5737,3.84
4819,D_glucose_6_phosphate,bmse000016,13,65.5308,3.24
4820,D_glucose_6_phosphate,bmse000016,14,65.4799,2.31
4821,D_maltose,bmse000017,1,102.3099,6.16
4822,D_maltose,bmse000017,2,102.2275,9.38
4823,D_maltose,bmse000017,3,98.4704,10.34
4824,D_maltose,bmse000017,4,94.5912,6.33
4825,D_maltose,bmse000017,5,79.5285,5.17
4826,D_maltose,bmse000017,6,79.3217,8.47
4827,D_maltose,bmse000017,7,78.9276,9.15
4828,D_maltose,bmse000017,8,77.2648,10.83
4829,D_maltose,bmse000017,9,76.7045,8.61
4830,D_maltose,bmse000017,10,75.9471,5.48
4831,D_maltose,bmse000017,11,75.5584,7.84
4832,D_maltose,bmse000017,12,75.5345,10.55
4833,D_maltose,bmse000017,13,75.3859,9.92
4834,D_maltose,bmse000017,14,74.4492,5.89
4835,D_maltose,bmse000017,15,74.3558,8.17
4836,D_maltose,bmse000017,16,73.9924,5.77
4837,D_maltose,bmse000017,17,72.6486,6.16
4838,D_maltose,bmse000017,18,72.0198,8.44
4839,D_maltose,bmse000017,19,63.4361,6.09
4840,D_maltose,bmse000017,20,63.2871,4.41
4841,D_maltose,bmse000017,21,63.1596,12.5
4842,D_ornithine,bmse000019,1,56.8208,12.5
4843,D_ornithine,bmse000019,2,41.5722,10.12
4844,D_ornithine,bmse000019,3,30.1825,12.11
4845,D_ornithine,bmse000019,4,25.4604,8.77
4846,D_threo_isocitric_acid,bmse000025,1,183.683,6.79
4847,D_threo_isocitric_acid,bmse000025,2,182.958,3.11
4848,D_threo_isocitric_acid,bmse000025,3,76.3916,11.16
4849,D_threo_isocitric_acid,bmse000025,4,51.8047,12.5
4850,D_threo_isocitric_acid,bmse000025,5,40.3285,10.98
4851,D_xylulose,bmse000027,1,108.4502,1.01
4852,D_xylulose,bmse000027,2,105.6511,3.08
4853,D_xylulose,bmse000027,3,83.18,3.1
4854,D_xylulose,bmse000027,4,78.9065,11.61
4855,D_xylulose,bmse000027,5,78.5426,3.96
4856,D_xylulose,bmse000027,6,78.011,2.93
4857,D_xylulose,bmse000027,7,77.5565,9.89
4858,D_xylulose,bmse000027,8,74.6749,2.45
4859,D_xylulose,bmse000027,9,74.6163,2.47
4860,D_xylulose,bmse000027,10,72.5201,10.76
4861,D_xylulose,bmse000027,11,68.7345,3.03
4862,D_xylulose,bmse000027,12,65.6799,12.5
4863,D_xylulose,bmse000027,13,65.1062,3.07
4864,D_xylulose,bmse000027,14,64.5556,3.06
4865,fumaric_acid,bmse000083,1,177.424,1.91
4866,fumaric_acid,bmse000083,2,138.042,12.5
4867,gluconic_acid,bmse000084,1,181.3386,1.89
4868,gluconic_acid,bmse000084,2,76.7743,10.33
4869,gluconic_acid,bmse000084,3,75.2613,9.8
4870,gluconic_acid,bmse000084,4,73.8705,12.36
4871,gluconic_acid,bmse000084,5,73.6525,10.2
4872,gluconic_acid,bmse000084,6,65.308,12.5
4873,alpha_D_glucose_1_phosphate,bmse000086,1,96.3867,5.99
4874,alpha_D_glucose_1_phosphate,bmse000086,2,96.3335,6.2
4875,alpha_D_glucose_1_phosphate,bmse000086,3,75.8391,10.34
4876,alpha_D_glucose_1_phosphate,bmse000086,4,74.9392,5.94
4877,alpha_D_glucose_1_phosphate,bmse000086,5,74.871,6.51
4878,alpha_D_glucose_1_phosphate,bmse000086,6,74.7037,12.5
4879,alpha_D_glucose_1_phosphate,bmse000086,7,72.4482,11.49
4880,alpha_D_glucose_1_phosphate,bmse000086,8,63.3999,9.58
4881,alpha_D_glucose_1_6_bisphosphate,bmse000087,1,96.6014,6.13
4882,alpha_D_glucose_1_6_bisphosphate,bmse000087,2,96.5465,7.96
4883,alpha_D_glucose_1_6_bisphosphate,bmse000087,3,75.3449,11.03
4884,alpha_D_glucose_1_6_bisphosphate,bmse000087,4,75.0612,6.57
4885,alpha_D_glucose_1_6_bisphosphate,bmse000087,5,74.9873,7.68
4886,alpha_D_glucose_1_6_bisphosphate,bmse000087,6,74.3802,6.65
4887,alpha_D_glucose_1_6_bisphosphate,bmse000087,7,74.317,7.4
4888,alpha_D_glucose_1_6_bisphosphate,bmse000087,8,71.5781,12.5
4889,alpha_D_glucose_1_6_bisphosphate,bmse000087,9,65.3993,4.84
4890,alpha_D_glucose_1_6_bisphosphate,bmse000087,10,65.3536,5.06
4891,glycine,bmse000089,1,175.1557,1.97
4892,glycine,bmse000089,2,44.1252,12.5
4893,guanine,bmse000090,1,170.3632,9.04
4894,guanine,bmse000090,2,163.6535,12.5
4895,guanine,bmse000090,3,161.8796,11.9
4896,guanine,bmse000090,4,120.9619,9.12
4897,guanosine,bmse000091,1,170.5025,1.71
4898,guanosine,bmse000091,2,163.3657,1.47
4899,guanosine,bmse000091,3,153.5645,2.67
4900,guanosine,bmse000091,4,139.3656,9.14
4901,guanosine,bmse000091,5,121.0084,1.46
4902,guanosine,bmse000091,6,90.841,11.95
4903,guanosine,bmse000091,7,88.5938,12.21
4904,guanosine,bmse000091,8,75.8197,12.21
4905,guanosine,bmse000091,9,73.7609,12.5
4906,guanosine,bmse000091,10,64.5009,9.96
4907,4_hydroxybenzoic_acid,bmse000092,1,161.2131,1.26
4908,4_hydroxybenzoic_acid,bmse000092,2,133.942,12.5
4909,4_hydroxybenzoic_acid,bmse000092,3,130.8287,1.62
4910,4_hydroxybenzoic_acid,bmse000092,4,117.592,10.22
4911,trans_3_hydroxycinnamic_acid,bmse000093,1,178.4192,2.27
4912,trans_3_hydroxycinnamic_acid,bmse000093,2,158.5422,3.6
4913,trans_3_hydroxycinnamic_acid,bmse000093,3,143.1901,8.95
4914,trans_3_hydroxycinnamic_acid,bmse000093,4,139.6042,3.48
4915,trans_3_hydroxycinnamic_acid,bmse000093,5,133.0298,11.46
4916,trans_3_hydroxycinnamic_acid,bmse000093,6,127.174,8.41
4917,trans_3_hydroxycinnamic_acid,bmse000093,7,122.9365,12.5
4918,trans_3_hydroxycinnamic_acid,bmse000093,8,119.3249,10.36
4919,trans_3_hydroxycinnamic_acid,bmse000093,9,116.6163,10.36
4920,hypoxanthine,bmse000094,1,164.9523,1.17
4921,hypoxanthine,bmse000094,2,159.7264,2.08
4922,hypoxanthine,bmse000094,3,150.37,10.69
4923,hypoxanthine,bmse000094,4,149.1756,12.5
4924,hypoxanthine,bmse000094,5,123.2364,1.06
4925,imidazole,bmse000096,1,137.7708,3.03
4926,imidazole,bmse000096,2,123.4233,12.5
4927,indole,bmse000097,1,138.3981,1.25
4928,indole,bmse000097,2,130.4755,1.24
4929,indole,bmse000097,3,126.7831,8.65
4930,indole,bmse000097,4,124.6229,12.5
4931,indole,bmse000097,5,123.3758,10.66
4932,indole,bmse000097,6,122.4493,10.48
4933,indole,bmse000097,7,113.6756,9.74
4934,indole,bmse000097,8,105.2378,11.58
4935,inosine,bmse000098,1,151.078,2.3
4936,inosine,bmse000098,2,148.9185,8.98
4937,inosine,bmse000098,3,142.8874,7.4
4938,inosine,bmse000098,4,126.8411,1.65
4939,inosine,bmse000098,5,91.1086,8.08
4940,inosine,bmse000098,6,88.2694,11.43
4941,inosine,bmse000098,7,76.7759,12.5
4942,inosine,bmse000098,8,73.0828,10.32
4943,inosine,bmse000098,9,64.0173,8.72
4944,i_erythritol,bmse000095,1,74.6148,12.5
4945,i_erythritol,bmse000095,2,65.3077,8.45
4946,L_alanine,bmse000028,1,178.5574,1.16
4947,L_alanine,bmse000028,2,53.2035,9.48
4948,L_alanine,bmse000028,3,18.8465,12.5
4949,L_arginine,bmse000029,1,177.2125,3.21
4950,L_arginine,bmse000029,2,57.0216,10.14
4951,L_arginine,bmse000029,3,43.2011,12.5
4952,L_arginine,bmse000029,4,30.2885,11.19
4953,L_arginine,bmse000029,5,26.5758,9.54
4954,L_asparagine,bmse000030,1,177.1771,1.47
4955,L_asparagine,bmse000030,2,176.209,1.94
4956,L_asparagine,bmse000030,3,53.9932,12.5
4957,L_asparagine,bmse000030,4,37.2983,11.26
4958,L_aspartic_acid,bmse000031,1,180.297,3.41
4959,L_aspartic_acid,bmse000031,2,176.9954,2.67
4960,L_aspartic_acid,bmse000031,3,54.9142,11.68
4961,L_aspartic_acid,bmse000031,4,39.2604,12.5
4962,L_citrulline,bmse000032,1,177.3878,3.15
4963,L_citrulline,bmse000032,2,164.2805,1.25
4964,L_citrulline,bmse000032,3,57.2048,11.84
4965,L_citrulline,bmse000032,4,41.9551,1.88
4966,L_citrulline,bmse000032,5,30.4444,12.5
4967,L_citrulline,bmse000032,6,27.6682,7.93
4968,L_cystathionine,bmse000033,1,56.4392,8
4969,L_cystathionine,bmse000033,2,56.2614,10.81
4970,L_cystathionine,bmse000033,3,34.8058,9.84
4971,L_cystathionine,bmse000033,4,32.8913,9.2
4972,L_cystathionine,bmse000033,5,29.7625,12.5
4973,L_cysteine,bmse000034,1,58.731,9.48
4974,L_cysteine,bmse000034,2,27.687,12.5
4975,L_cystine,bmse000035,1,183.331,3.03
4976,L_cystine,bmse000035,2,57.5783,12.5
4977,L_cystine,bmse000035,3,46.0281,10.99
4978,L_fucose,bmse000036,1,98.936,11.78
4979,L_fucose,bmse000036,2,94.9206,4.76
4980,L_fucose,bmse000036,3,75.6252,9.59
4981,L_fucose,bmse000036,4,74.6014,4.86
4982,L_fucose,bmse000036,5,74.3627,10.92
4983,L_fucose,bmse000036,6,74.1543,8.8
4984,L_fucose,bmse000036,7,73.586,9.85
4985,L_fucose,bmse000036,8,71.9701,4.6
4986,L_fucose,bmse000036,9,70.7832,3.67
4987,L_fucose,bmse000036,10,69.0314,4.4
4988,L_fucose,bmse000036,11,18.2232,12.5
4989,L_glutamic_acid,bmse000037,1,184.0438,2.16
4990,L_glutamic_acid,bmse000037,2,177.297,1.79
4991,L_glutamic_acid,bmse000037,3,57.3356,12.29
4992,L_glutamic_acid,bmse000037,4,36.1753,9.58
4993,L_glutamic_acid,bmse000037,5,29.6742,12.5
4994,L_glutamine,bmse000038,1,180.3694,1.86
4995,L_glutamine,bmse000038,2,176.8264,2.47
4996,L_glutamine,bmse000038,3,56.8326,9.96
4997,L_glutamine,bmse000038,4,33.528,10.99
4998,L_glutamine,bmse000038,5,28.9528,12.5
4999,L_histidine,bmse000039,1,176.6511,1.83
5000,L_histidine,bmse000039,2,138.9728,9.16
5001,L_histidine,bmse000039,3,134.6686,2.25
5002,L_histidine,bmse000039,4,119.5492,8.47
5003,L_histidine,bmse000039,5,57.4737,12.5
5004,L_histidine,bmse000039,6,30.7804,11.71
5005,L_homoserine,bmse000040,1,177.2374,1.7
5006,L_homoserine,bmse000040,2,61.3363,12.5
5007,L_homoserine,bmse000040,3,56.0719,8.39
5008,L_homoserine,bmse000040,4,34.8823,11.17
5009,L_isoleucine,bmse000041,1,176.9223,1.89
5010,L_isoleucine,bmse000041,2,62.2493,12.5
5011,L_isoleucine,bmse000041,3,38.5957,9.56
5012,L_isoleucine,bmse000041,4,27.1531,12.15
5013,L_isoleucine,bmse000041,5,17.3893,8.4
5014,L_isoleucine,bmse000041,6,13.8035,7.76
5015,L_leucine,bmse000042,1,178.3284,2.9
5016,L_leucine,bmse000042,2,56.1175,11.06
5017,L_leucine,bmse000042,3,42.5151,11.41
5018,L_leucine,bmse000042,4,26.8579,12.5
5019,L_leucine,bmse000042,5,24.7283,9.43
5020,L_leucine,bmse000042,6,23.5808,12.45
5021,L_lysine,bmse000043,1,177.4077,2.58
5022,L_lysine,bmse000043,2,57.1969,9.77
5023,L_lysine,bmse000043,3,41.7595,10.04
5024,L_lysine,bmse000043,4,32.6068,10.59
5025,L_lysine,bmse000043,5,29.1125,12.5
5026,L_lysine,bmse000043,6,24.1325,10.95
5027,malic_acid,bmse000046,1,183.7669,2.25
5028,malic_acid,bmse000046,2,182.5706,2
5029,malic_acid,bmse000046,3,73.0495,9.52
5030,malic_acid,bmse000046,4,45.3174,12.5
5031,L_methionine,bmse000044,1,177.0256,1.63
5032,L_methionine,bmse000044,2,56.5949,11.7
5033,L_methionine,bmse000044,3,32.3948,11.02
5034,L_methionine,bmse000044,4,31.5117,12.5
5035,L_methionine,bmse000044,5,16.6207,5.66
5036,L_phenylalanine,bmse000045,1,137.8245,2.32
5037,L_phenylalanine,bmse000045,2,132.08,12.5
5038,L_phenylalanine,bmse000045,3,131.8234,9.6
5039,L_phenylalanine,bmse000045,4,130.4017,5.37
5040,L_phenylalanine,bmse000045,5,58.7477,5.25
5041,L_phenylalanine,bmse000045,6,39.0993,5.55
5042,L_proline,bmse000047,1,177.4144,1.3
5043,L_proline,bmse000047,2,63.9229,11.05
5044,L_proline,bmse000047,3,48.7631,9.32
5045,L_proline,bmse000047,4,31.6863,12.5
5046,L_proline,bmse000047,5,26.4548,9.6
5047,L_serine,bmse000048,1,62.8928,12.5
5048,L_serine,bmse000048,2,59.0815,8.62
5049,L_threonine,bmse000049,1,175.6411,1.16
5050,L_threonine,bmse000049,2,68.6408,12.03
5051,L_threonine,bmse000049,3,63.1368,12.5
5052,L_threonine,bmse000049,4,22.1352,12.2
5053,L_tryptophan,bmse000050,1,177.255,2.71
5054,L_tryptophan,bmse000050,2,139.0401,1.59
5055,L_tryptophan,bmse000050,3,129.3512,1.89
5056,L_tryptophan,bmse000050,4,127.7463,10.84
5057,L_tryptophan,bmse000050,5,124.8346,12.27
5058,L_tryptophan,bmse000050,6,122.1638,12.5
5059,L_tryptophan,bmse000050,7,121.1566,12.38
5060,L_tryptophan,bmse000050,8,114.6587,10.23
5061,L_tryptophan,bmse000050,9,110.1782,4.04
5062,L_tryptophan,bmse000050,10,57.7537,11.28
5063,L_tryptophan,bmse000050,11,29.1016,11.57
5064,L_tyrosine,bmse000051,1,184.1279,1.35
5065,L_tyrosine,bmse000051,2,163.7886,1.13
5066,L_tyrosine,bmse000051,3,133.3998,10.61
5067,L_tyrosine,bmse000051,4,128.0459,2.21
5068,L_tyrosine,bmse000051,5,120.2955,12.5
5069,L_tyrosine,bmse000051,6,60.0412,5.12
5070,L_tyrosine,bmse000051,7,41.8233,4.45
5071,L_valine,bmse000052,1,63.0706,10.1
5072,L_valine,bmse000052,2,31.7958,11.73
5073,L_valine,bmse000052,3,20.6547,12.29
5074,L_valine,bmse000052,4,19.3267,12.5
5075,D_mannitol,bmse000099,1,73.4901,12.5
5076,D_mannitol,bmse000099,2,71.9258,8.62
5077,D_mannitol,bmse000099,3,65.9197,11.81
5078,meso_erythritol,bmse000100,1,74.6159,12.5
5079,meso_erythritol,bmse000100,2,65.309,8.37
5080,methyl_oxobutanoic_acid,bmse000101,1,39.7045,5.48
5081,methyl_oxobutanoic_acid,bmse000101,2,19.0607,12.5
5082,muco_inositol,bmse000102,1,75.0137,6.8
5083,muco_inositol,bmse000102,2,72.8728,12.5
5084,myo_inositol,bmse000103,1,77.0519,5.9
5085,myo_inositol,bmse000103,2,75.1054,12.5
5086,myo_inositol,bmse000103,3,74.8867,4.4
5087,myo_inositol,bmse000103,4,73.8316,10.8
5088,NAD,bmse000053,1,167.8653,3.69
5089,NAD,bmse000053,2,158.0181,4.21
5090,NAD,bmse000053,3,155.468,8.5
5091,NAD,bmse000053,4,151.5966,5.8
5092,NAD,bmse000053,5,148.4441,6.77
5093,NAD,bmse000053,6,145.0618,5.64
5094,NAD,bmse000053,7,142.6338,5.11
5095,NAD,bmse000053,8,142.3914,7.13
5096,NAD,bmse000053,9,136.3277,6.28
5097,NAD,bmse000053,10,131.3233,7.72
5098,NAD,bmse000053,11,121.0165,3.15
5099,NAD,bmse000053,12,102.7367,9.04
5100,NAD,bmse000053,13,89.7361,5.45
5101,NAD,bmse000053,14,89.6488,5.15
5102,NAD,bmse000053,15,89.3547,10.54
5103,NAD,bmse000053,16,86.5859,5.25
5104,NAD,bmse000053,17,86.4979,5.24
5105,NAD,bmse000053,18,80.3065,12.5
5106,NAD,bmse000053,19,76.6526,12.24
5107,NAD,bmse000053,20,73.2929,11.75
5108,NAD,bmse000053,21,73.0829,11.48
5109,NAD,bmse000053,22,68.1579,4.36
5110,NAD,bmse000053,23,68.1059,4.27
5111,NAD,bmse000053,24,67.6491,4.7
5112,NAD,bmse000053,25,67.5973,4.24
5113,NADH,bmse000054,1,175.3474,5.48
5114,NADH,bmse000054,2,158.1968,4.24
5115,NADH,bmse000054,3,155.4171,8.83
5116,NADH,bmse000054,4,151.5844,5.71
5117,NADH,bmse000054,5,142.3515,6.8
5118,NADH,bmse000054,6,141.1257,9.71
5119,NADH,bmse000054,7,126.4094,7.79
5120,NADH,bmse000054,8,121.2963,4.16
5121,NADH,bmse000054,9,108.0387,9.52
5122,NADH,bmse000054,10,102.5371,7.01
5123,NADH,bmse000054,11,97.7448,9.22
5124,NADH,bmse000054,12,89.7936,11.06
5125,NADH,bmse000054,13,86.3582,5.51
5126,NADH,bmse000054,14,85.0981,5.6
5127,NADH,bmse000054,15,77.2518,12.23
5128,NADH,bmse000054,16,73.4643,12.14
5129,NADH,bmse000054,17,73.2824,12.5
5130,NADH,bmse000054,18,72.9239,9.04
5131,NADH,bmse000054,19,68.6321,4.65
5132,NADH,bmse000054,20,67.8556,4.52
5133,NADH,bmse000054,21,24.5551,8.23
5134,NADH,bmse000054,22,19.5029,3.45
5135,NADPH,bmse000055,1,175.4549,3.91
5136,NADPH,bmse000055,2,158.2562,4.4
5137,NADPH,bmse000055,3,155.3726,8.4
5138,NADPH,bmse000055,4,151.6612,4.78
5139,NADPH,bmse000055,5,142.7666,6.52
5140,NADPH,bmse000055,6,141.0746,8.37
5141,NADPH,bmse000055,7,126.4637,8.6
5142,NADPH,bmse000055,8,108.0154,8.41
5143,NADPH,bmse000055,9,102.5834,6.37
5144,NADPH,bmse000055,10,97.6847,9.4
5145,NADPH,bmse000055,11,89.5671,4.71
5146,NADPH,bmse000055,12,89.4832,4.7
5147,NADPH,bmse000055,13,85.6232,4.52
5148,NADPH,bmse000055,14,85.136,4.45
5149,NADPH,bmse000055,15,79.2632,4.94
5150,NADPH,bmse000055,16,73.4756,12.5
5151,NADPH,bmse000055,17,73.324,11.5
5152,NADPH,bmse000055,18,72.7309,8.21
5153,NADPH,bmse000055,19,68.5416,4.39
5154,NADPH,bmse000055,20,67.9571,5.25
5155,NADPH,bmse000055,21,24.6213,6.74
5156,niacin,bmse000104,1,176.0593,0.88
5157,niacin,bmse000104,2,153.1473,12.5
5158,niacin,bmse000104,3,151.7346,9.43
5159,niacin,bmse000104,4,140.3918,11.16
5160,niacin,bmse000104,5,135.0395,2.37
5161,niacin,bmse000104,6,126.6461,10.94
5162,nicotine,bmse000105,1,152.9553,11.86
5163,nicotine,bmse000105,2,151.8079,8.39
5164,nicotine,bmse000105,3,139.9786,11.24
5165,nicotine,bmse000105,4,132.2848,2.82
5166,nicotine,bmse000105,5,127.6138,11.08
5167,nicotine,bmse000105,6,72.3903,8.23
5168,nicotine,bmse000105,7,58.7754,9.8
5169,nicotine,bmse000105,8,40.9138,11.41
5170,nicotine,bmse000105,9,33.0757,8.96
5171,nicotine,bmse000105,10,24.2203,12.5
5172,N_acetylneuraminic_acid,bmse000057,1,179.4931,2.99
5173,N_acetylneuraminic_acid,bmse000057,2,177.4691,5.36
5174,N_acetylneuraminic_acid,bmse000057,3,99.1066,6.81
5175,N_acetylneuraminic_acid,bmse000057,4,73.0136,10.35
5176,N_acetylneuraminic_acid,bmse000057,5,72.9084,11.02
5177,N_acetylneuraminic_acid,bmse000057,6,71.2583,9.48
5178,N_acetylneuraminic_acid,bmse000057,7,70.0063,10.08
5179,N_acetylneuraminic_acid,bmse000057,8,66.0063,10.13
5180,N_acetylneuraminic_acid,bmse000057,9,54.9693,12.5
5181,N_acetylneuraminic_acid,bmse000057,10,42.0905,8.84
5182,N_acetylneuraminic_acid,bmse000057,11,24.8195,11.34
5183,N_acetyl_D_mannosamine,bmse000056,1,178.4248,1.93
5184,N_acetyl_D_mannosamine,bmse000056,2,177.4968,2.6
5185,N_acetyl_D_mannosamine,bmse000056,3,95.8209,8.31
5186,N_acetyl_D_mannosamine,bmse000056,4,95.688,9.13
5187,N_acetyl_D_mannosamine,bmse000056,5,79.0399,10.23
5188,N_acetyl_D_mannosamine,bmse000056,6,74.7525,9.08
5189,N_acetyl_D_mannosamine,bmse000056,7,74.6939,8.91
5190,N_acetyl_D_mannosamine,bmse000056,8,71.5593,11.26
5191,N_acetyl_D_mannosamine,bmse000056,9,69.4618,11.11
5192,N_acetyl_D_mannosamine,bmse000056,10,69.1894,8.23
5193,N_acetyl_D_mannosamine,bmse000056,11,63.0714,12.5
5194,N_acetyl_D_mannosamine,bmse000056,12,56.7834,6.76
5195,N_acetyl_D_mannosamine,bmse000056,13,55.9143,11.74
5196,N_acetyl_D_mannosamine,bmse000056,14,24.7467,6.42
5197,N_acetyl_D_mannosamine,bmse000056,15,24.6103,7.83
5198,oxalate,bmse000106,1,176.1386,12.5
5199,O_succinyl_L_homoserine,bmse000058,1,183.8863,2.56
5200,O_succinyl_L_homoserine,bmse000058,2,178.3647,2.14
5201,O_succinyl_L_homoserine,bmse000058,3,176.7702,2.64
5202,O_succinyl_L_homoserine,bmse000058,4,64.4599,9.53
5203,O_succinyl_L_homoserine,bmse000058,5,55.5165,8.79
5204,O_succinyl_L_homoserine,bmse000058,6,35.6935,1.47
5205,O_succinyl_L_homoserine,bmse000058,7,34.6435,11.39
5206,O_succinyl_L_homoserine,bmse000058,8,33.1998,12.5
5207,O_succinyl_L_homoserine,bmse000058,9,32.0477,7.9
5208,phosphoenolpyruvic_acid,bmse000107,1,152.4983,4.37
5209,phosphoenolpyruvic_acid,bmse000107,2,152.4267,2.42
5210,phosphoenolpyruvic_acid,bmse000107,3,102.8677,10.91
5211,phosphoenolpyruvic_acid,bmse000107,4,102.8401,12.5
5212,prephenic_acid,bmse000108,1,134.012,12.19
5213,prephenic_acid,bmse000108,2,130.3553,12.5
5214,prephenic_acid,bmse000108,3,64.0727,7.77
5215,prephenic_acid,bmse000108,4,51.2462,2.5
5216,prephenic_acid,bmse000108,5,50.6545,5.86
5217,putrescine,bmse000109,1,41.551,11.73
5218,putrescine,bmse000109,2,26.5984,12.5
5219,pyridoxal,bmse000110,1,161.5671,1.78
5220,pyridoxal,bmse000110,2,148.0785,2.3
5221,pyridoxal,bmse000110,3,140.9568,3.28
5222,pyridoxal,bmse000110,4,139.5279,4.52
5223,pyridoxal,bmse000110,5,120.0727,6.07
5224,pyridoxal,bmse000110,6,102.0212,10.48
5225,pyridoxal,bmse000110,7,72.5072,12.5
5226,pyridoxal,bmse000110,8,17.5108,7.09
5227,pyridoxal_5_phosphate,bmse000111,1,198.7901,4.06
5228,pyridoxal_5_phosphate,bmse000111,2,154.2739,7.56
5229,pyridoxal_5_phosphate,bmse000111,3,139.0553,2.73
5230,pyridoxal_5_phosphate,bmse000111,4,138.9802,2.7
5231,pyridoxal_5_phosphate,bmse000111,5,128.8539,3.48
5232,pyridoxal_5_phosphate,bmse000111,6,126.7748,3.24
5233,pyridoxal_5_phosphate,bmse000111,7,91.4524,2.95
5234,pyridoxal_5_phosphate,bmse000111,8,64.4322,9.86
5235,pyridoxal_5_phosphate,bmse000111,9,64.3954,7.79
5236,pyridoxal_5_phosphate,bmse000111,10,18.7125,12.5
5237,pyridoxal_5_phosphate,bmse000111,11,17.3618,2.26
5238,pyridoxamine,bmse000130,1,165.5851,1.63
5239,pyridoxamine,bmse000130,2,148.1236,2.38
5240,pyridoxamine,bmse000130,3,138.2661,5.06
5241,pyridoxamine,bmse000130,4,134.7636,2.63
5242,pyridoxamine,bmse000130,5,126.6506,8.52
5243,pyridoxamine,bmse000130,6,61.8257,9.73
5244,pyridoxamine,bmse000130,7,39.2287,12.5
5245,pyridoxamine,bmse000130,8,18.1093,10.27
5246,pyridoxamine_5_phosphate,bmse000131,1,165.6996,3.42
5247,pyridoxamine_5_phosphate,bmse000131,2,147.3396,4.49
5248,pyridoxamine_5_phosphate,bmse000131,3,137.5932,4.37
5249,pyridoxamine_5_phosphate,bmse000131,4,137.5201,3.66
5250,pyridoxamine_5_phosphate,bmse000131,5,135.8735,6.9
5251,pyridoxamine_5_phosphate,bmse000131,6,125.9833,8.38
5252,pyridoxamine_5_phosphate,bmse000131,7,64.3374,8.14
5253,pyridoxamine_5_phosphate,bmse000131,8,64.2962,7.45
5254,pyridoxamine_5_phosphate,bmse000131,9,38.955,12.5
5255,pyridoxamine_5_phosphate,bmse000131,10,17.7372,11.91
5256,scyllo_inositol,bmse000113,1,76.2821,12.5
5257,shikimic_acid,bmse000114,1,178.0757,1.84
5258,shikimic_acid,bmse000114,2,138.7121,3.69
5259,shikimic_acid,bmse000114,3,133.2065,8.63
5260,shikimic_acid,bmse000114,4,74.7462,8.91
5261,shikimic_acid,bmse000114,5,69.5201,11.73
5262,shikimic_acid,bmse000114,6,68.9871,12.5
5263,shikimic_acid,bmse000114,7,35.3685,8.86
5264,D_sorbitol,bmse000115,1,75.6364,11.8
5265,D_sorbitol,bmse000115,2,73.7844,11.91
5266,D_sorbitol,bmse000115,3,73.6628,11.46
5267,D_sorbitol,bmse000115,4,72.3478,12.5
5268,D_sorbitol,bmse000115,5,65.5074,7.86
5269,D_sorbitol,bmse000115,6,65.1126,9.65
5270,spermidine,bmse000116,1,49.7685,12.5
5271,spermidine,bmse000116,2,47.255,9.6
5272,spermidine,bmse000116,3,41.5152,10.94
5273,spermidine,bmse000116,4,39.2998,10.61
5274,spermidine,bmse000116,5,26.64,10.09
5275,spermidine,bmse000116,6,26.5227,9.51
5276,spermidine,bmse000116,7,25.4882,11.59
5277,spermine,bmse000117,1,50.4642,10.16
5278,spermine,bmse000117,2,48.3361,12.5
5279,spermine,bmse000117,3,40.6981,12.1
5280,spermine,bmse000117,4,30.823,7.1
5281,spermine,bmse000117,5,27.6835,10.97
5282,succinic_acid,bmse000118,1,185.1648,1.78
5283,succinic_acid,bmse000118,2,36.8897,12.5
5284,sucrose,bmse000119,1,106.3887,6.15
5285,sucrose,bmse000119,2,94.8829,11.39
5286,sucrose,bmse000119,3,84.0666,11.94
5287,sucrose,bmse000119,4,79.0967,11.54
5288,sucrose,bmse000119,5,76.6892,12.13
5289,sucrose,bmse000119,6,75.2562,11.56
5290,sucrose,bmse000119,7,75.107,12.4
5291,sucrose,bmse000119,8,73.7694,11.94
5292,sucrose,bmse000119,9,71.9114,12.5
5293,sucrose,bmse000119,10,65.0741,11.11
5294,sucrose,bmse000119,11,64.0305,10.38
5295,sucrose,bmse000119,12,62.8059,9.96
5296,S_adenosyl_L_methionine,bmse000059,1,177.2049,1.06
5297,S_adenosyl_L_methionine,bmse000059,2,175.5374,3.57
5298,S_adenosyl_L_methionine,bmse000059,3,158.2573,4.07
5299,S_adenosyl_L_methionine,bmse000059,4,158.1473,1.23
5300,S_adenosyl_L_methionine,bmse000059,5,155.5574,8.68
5301,S_adenosyl_L_methionine,bmse000059,6,155.4871,3.71
5302,S_adenosyl_L_methionine,bmse000059,7,154.9459,1.28
5303,S_adenosyl_L_methionine,bmse000059,8,151.4918,1.4
5304,S_adenosyl_L_methionine,bmse000059,9,151.3094,4.84
5305,S_adenosyl_L_methionine,bmse000059,10,143.3489,7.53
5306,S_adenosyl_L_methionine,bmse000059,11,142.6447,2.96
5307,S_adenosyl_L_methionine,bmse000059,12,121.7408,3.05
5308,S_adenosyl_L_methionine,bmse000059,13,91.8,12.5
5309,S_adenosyl_L_methionine,bmse000059,14,90.1262,1.08
5310,S_adenosyl_L_methionine,bmse000059,15,90.0407,3.67
5311,S_adenosyl_L_methionine,bmse000059,16,85.9474,3.7
5312,S_adenosyl_L_methionine,bmse000059,17,81.4782,2.83
5313,S_adenosyl_L_methionine,bmse000059,18,80.8642,9.06
5314,S_adenosyl_L_methionine,bmse000059,19,76.1774,4.19
5315,S_adenosyl_L_methionine,bmse000059,20,75.6933,3.46
5316,S_adenosyl_L_methionine,bmse000059,21,75.4417,10.55
5317,S_adenosyl_L_methionine,bmse000059,22,75.2896,11.21
5318,S_adenosyl_L_methionine,bmse000059,23,75.2102,3.9
5319,S_adenosyl_L_methionine,bmse000059,24,75.0576,4.66
5320,S_adenosyl_L_methionine,bmse000059,25,61.3914,4.52
5321,S_adenosyl_L_methionine,bmse000059,26,60.181,3.6
5322,S_adenosyl_L_methionine,bmse000059,27,56.1328,4.11
5323,S_adenosyl_L_methionine,bmse000059,28,55.5398,11.64
5324,S_adenosyl_L_methionine,bmse000059,29,55.4732,3.85
5325,S_adenosyl_L_methionine,bmse000059,30,51.6245,1.02
5326,S_adenosyl_L_methionine,bmse000059,31,47.0027,7.3
5327,S_adenosyl_L_methionine,bmse000059,32,41.6503,2.53
5328,S_adenosyl_L_methionine,bmse000059,33,41.5608,8
5329,S_adenosyl_L_methionine,bmse000059,34,39.296,1.04
5330,S_adenosyl_L_methionine,bmse000059,35,38.5747,3.27
5331,S_adenosyl_L_methionine,bmse000059,36,34.9032,4.07
5332,S_adenosyl_L_methionine,bmse000059,37,28.138,8.12
5333,S_adenosyl_L_methionine,bmse000059,38,27.9802,2.58
5334,S_adenosyl_L_methionine,bmse000059,39,26.5384,1.05
5335,S_adenosyl_L_methionine,bmse000059,40,26.4688,3.89
5336,S_adenosyl_L_methionine,bmse000059,41,26.1398,11.37
5337,S_adenosyl_L_methionine,bmse000059,42,19.5416,3.82
5338,S_adenosyl_L_methionine,bmse000059,43,18.0425,2.93
5339,taurine,bmse000120,1,50.2124,12.5
5340,taurine,bmse000120,2,38.0682,11.7
5341,L_threitol,bmse000121,1,74.3047,12.5
5342,L_threitol,bmse000121,2,65.3263,12.42
5343,trans_4_hydroxy_L_proline,bmse000123,1,177.0263,1.29
5344,trans_4_hydroxy_L_proline,bmse000123,2,72.7686,12.34
5345,trans_4_hydroxy_L_proline,bmse000123,3,62.5265,8.41
5346,trans_4_hydroxy_L_proline,bmse000123,4,55.643,12.5
5347,trans_4_hydroxy_L_proline,bmse000123,5,40.1298,9.82
5348,trans_cinnamic_acid,bmse000124,1,143.5556,4.31
5349,trans_cinnamic_acid,bmse000124,2,137.8775,1.34
5350,trans_cinnamic_acid,bmse000124,3,132.3324,6.15
5351,trans_cinnamic_acid,bmse000124,4,131.6902,9.94
5352,trans_cinnamic_acid,bmse000124,5,130.4135,12.5
5353,trans_cinnamic_acid,bmse000124,6,126.8267,3.92
5354,D_trehalose,bmse000125,1,95.9171,12.5
5355,D_trehalose,bmse000125,2,75.2081,11.88
5356,D_trehalose,bmse000125,3,74.8491,10.1
5357,D_trehalose,bmse000125,4,73.7422,9.97
5358,D_trehalose,bmse000125,5,72.3894,11.58
5359,D_trehalose,bmse000125,6,63.2132,8.55
5360,uric_acid,bmse000126,1,167.6653,6.04
5361,uric_acid,bmse000126,2,165.3393,12.5
5362,uric_acid,bmse000126,3,162.2146,6.72
5363,uric_acid,bmse000126,4,156.4958,8.87
5364,uric_acid,bmse000126,5,104.5779,6.55
5365,xanthine,bmse000127,1,163.3303,1.9
5366,xanthine,bmse000127,2,161.9958,1.23
5367,xanthine,bmse000127,3,158.0123,1.54
5368,xanthine,bmse000127,4,142.7225,12.5
5369,xanthine,bmse000127,5,116.2503,1.15
5370,xanthosine,bmse000128,1,163.7475,1.41
5371,xanthosine,bmse000128,2,162.2764,1.3
5372,xanthosine,bmse000128,3,155.8547,2.56
5373,xanthosine,bmse000128,4,140.0607,9.27
5374,xanthosine,bmse000128,5,118.2068,1.28
5375,xanthosine,bmse000128,6,90.6608,11.73
5376,xanthosine,bmse000128,7,88.5324,12.41
5377,xanthosine,bmse000128,8,75.9737,12.5
5378,xanthosine,bmse000128,9,73.5577,11.03
5379,xanthosine,bmse000128,10,64.3556,8.81
5380,xylitol,bmse000129,1,74.6275,11.33
5381,xylitol,bmse000129,2,73.4743,6.7
5382,xylitol,bmse000129,3,65.3143,12.5
5383,tyramine,bmse000243,1,157.2984,1.41
5384,tyramine,bmse000243,2,132.9956,12.5
5385,tyramine,bmse000243,3,131.1649,2.03
5386,tyramine,bmse000243,4,118.5125,12.18
5387,tyramine,bmse000243,5,43.4518,5.34
5388,tyramine,bmse000243,6,34.6329,6.06
5389,L_carnosine,bmse000246,1,180.2008,3.84
5390,L_carnosine,bmse000246,2,174.3323,4.86
5391,L_carnosine,bmse000246,3,137.5197,9.53
5392,L_carnosine,bmse000246,4,134.6631,4.69
5393,L_carnosine,bmse000246,5,119.8491,10.48
5394,L_carnosine,bmse000246,6,57.5784,11.65
5395,L_carnosine,bmse000246,7,38.3703,11.44
5396,L_carnosine,bmse000246,8,34.7671,12.5
5397,L_carnosine,bmse000246,9,30.9947,9.98
5398,glycolate,bmse000245,1,182.6562,5.25
5399,glycolate,bmse000245,2,63.9098,12.5
5400,1_3_dimethylurea,bmse000248,1,29.1399,12.5
5401,D_glucosamine,bmse000247,1,96.7337,8.51
5402,D_glucosamine,bmse000247,2,92.4167,12.41
5403,D_glucosamine,bmse000247,3,78.843,9.89
5404,D_glucosamine,bmse000247,4,75.8685,8.3
5405,D_glucosamine,bmse000247,5,74.3489,12.5
5406,D_glucosamine,bmse000247,6,72.9419,11.22
5407,D_glucosamine,bmse000247,7,72.4037,9.8
5408,D_glucosamine,bmse000247,8,72.3301,12.04
5409,D_glucosamine,bmse000247,9,63.2894,7.62
5410,D_glucosamine,bmse000247,10,63.0782,11.08
5411,D_glucosamine,bmse000247,11,59.6847,8.44
5412,D_glucosamine,bmse000247,12,57.1428,11.73
5413,isethionic_acid,bmse000242,1,59.6397,12.02
5414,isethionic_acid,bmse000242,2,55.5295,12.5
5415,N_N_dimethylglycine,bmse000241,1,62.5717,6.55
5416,N_N_dimethylglycine,bmse000241,2,46.2286,12.5
5417,dihydroxyacetone,bmse000144,1,214.7833,3.78
5418,dihydroxyacetone,bmse000144,2,97.773,1.6
5419,dihydroxyacetone,bmse000144,3,66.2429,12.5
5420,N_acetyl_L_glutamine,bmse000145,1,181.3622,2.37
5421,N_acetyl_L_glutamine,bmse000145,2,181.1277,3.44
5422,N_acetyl_L_glutamine,bmse000145,3,176.3862,3.32
5423,N_acetyl_L_glutamine,bmse000145,4,57.3658,12.5
5424,N_acetyl_L_glutamine,bmse000145,5,34.4405,9.75
5425,N_acetyl_L_glutamine,bmse000145,6,30.4549,10.18
5426,N_acetyl_L_glutamine,bmse000145,7,24.6247,9.17
5427,ADA,bmse000146,1,180.0279,1.66
5428,ADA,bmse000146,2,60.0622,12.5
5429,ADA,bmse000146,3,59.955,1.44
5430,4_aminoantipyrine,bmse000147,1,144.7673,1.72
5431,4_aminoantipyrine,bmse000147,2,135.763,1.74
5432,4_aminoantipyrine,bmse000147,3,132.3952,12.5
5433,4_aminoantipyrine,bmse000147,4,131.8174,5.85
5434,4_aminoantipyrine,bmse000147,5,129.3212,12.35
5435,4_aminoantipyrine,bmse000147,6,37.2322,4.81
5436,4_aminoantipyrine,bmse000147,7,11.7408,4.42
5437,acetylcarnitine,bmse000142,1,179.354,4.03
5438,acetylcarnitine,bmse000142,2,175.4615,4.06
5439,acetylcarnitine,bmse000142,3,70.835,4.53
5440,acetylcarnitine,bmse000142,4,69.5734,12.5
5441,acetylcarnitine,bmse000142,5,56.5103,12.2
5442,acetylcarnitine,bmse000142,6,42.9071,9.73
5443,acetylcarnitine,bmse000142,7,23.3168,9.11
5444,5_acetylamido_2_chloroaniline,bmse000143,1,139.2064,3.06
5445,5_acetylamido_2_chloroaniline,bmse000143,2,132.3826,12.5
5446,5_acetylamido_2_chloroaniline,bmse000143,3,116.2078,11.5
5447,5_acetylamido_2_chloroaniline,bmse000143,4,112.9825,11.85
5448,5_acetylamido_2_chloroaniline,bmse000143,5,25.522,8.76
5449,uracil,bmse000187,1,170.2202,1.35
5450,uracil,bmse000187,2,146.2032,10.52
5451,uracil,bmse000187,3,103.7407,12.5
5452,cytidine,bmse000190,1,168.8862,2.92
5453,cytidine,bmse000190,2,160.3399,2.39
5454,cytidine,bmse000190,3,144.3268,8.93
5455,cytidine,bmse000190,4,98.9421,9.02
5456,cytidine,bmse000190,5,92.9764,11.59
5457,cytidine,bmse000190,6,86.4726,11.93
5458,cytidine,bmse000190,7,76.6665,12.26
5459,cytidine,bmse000190,8,71.9801,12.5
5460,cytidine,bmse000190,9,63.4255,9.89
5461,propionic_acid,bmse000179,1,187.7472,2.27
5462,propionic_acid,bmse000179,2,33.4143,12.5
5463,propionic_acid,bmse000179,3,12.8911,11.53
5464,cytosine,bmse000180,1,170.1095,1.09
5465,cytosine,bmse000180,2,145.8461,10.28
5466,cytosine,bmse000180,3,97.8181,12.5
5467,3_hydroxybutyrate,bmse000161,1,183.1934,2.18
5468,3_hydroxybutyrate,bmse000161,2,68.3994,9.53
5469,3_hydroxybutyrate,bmse000161,3,49.2195,12.5
5470,3_hydroxybutyrate,bmse000161,4,24.4317,11.28
5471,sarcosine,bmse000160,1,174.1787,1.69
5472,sarcosine,bmse000160,2,53.5151,12.5
5473,sarcosine,bmse000160,3,35.3495,10.56
5474,beta_alanine,bmse000159,1,181.1398,1.61
5475,beta_alanine,bmse000159,2,39.2339,9.51
5476,beta_alanine,bmse000159,3,36.2855,12.5
5477,uridine,bmse000158,1,169.0394,2.54
5478,uridine,bmse000158,2,154.4569,2.08
5479,uridine,bmse000158,3,144.529,8.58
5480,uridine,bmse000158,4,104.9743,9.81
5481,uridine,bmse000158,5,92.0363,11.1
5482,uridine,bmse000158,6,86.9005,11.88
5483,uridine,bmse000158,7,76.3651,11.81
5484,uridine,bmse000158,8,72.0985,12.5
5485,uridine,bmse000158,9,63.4211,9.74
5486,N_acetyl_L_alanine,bmse000157,1,183.142,2.18
5487,N_acetyl_L_alanine,bmse000157,2,176.0277,2.41
5488,N_acetyl_L_alanine,bmse000157,3,53.6895,12.5
5489,N_acetyl_L_alanine,bmse000157,4,24.5618,8.98
5490,N_acetyl_L_alanine,bmse000157,5,20.0042,11.11
5491,trimethyl_phosphonoacetate,bmse000156,1,56.6257,8.02
5492,trimethyl_phosphonoacetate,bmse000156,2,56.5607,8.02
5493,trimethyl_phosphonoacetate,bmse000156,3,55.9903,12.5
5494,creatinine,bmse000155,1,191.713,2.26
5495,creatinine,bmse000155,2,59.1239,12.5
5496,creatinine,bmse000155,3,58.8527,2.53
5497,creatinine,bmse000155,4,58.6295,1.96
5498,creatinine,bmse000155,5,32.9001,9.73
5499,4_2_aminoethyl_morpholine,bmse000154,1,68.8872,12.21
5500,4_2_aminoethyl_morpholine,bmse000154,2,56.9694,6.45
5501,4_2_aminoethyl_morpholine,bmse000154,3,55.1945,12.5
5502,4_2_aminoethyl_morpholine,bmse000154,4,38.3707,5.31
5503,L_methionine_methylsulfonium_iodide,bmse000153,1,176.1278,2.46
5504,L_methionine_methylsulfonium_iodide,bmse000153,2,55.6328,12.37
5505,L_methionine_methylsulfonium_iodide,bmse000153,3,42.2714,10.53
5506,L_methionine_methylsulfonium_iodide,bmse000153,4,28.1127,10.06
5507,L_methionine_methylsulfonium_iodide,bmse000153,5,27.4753,11.87
5508,L_methionine_methylsulfonium_iodide,bmse000153,6,27.4428,12.5
5509,trigonelline,bmse000152,1,170.5429,1.63
5510,trigonelline,bmse000152,2,148.7294,3.53
5511,trigonelline,bmse000152,3,148.5432,3.12
5512,trigonelline,bmse000152,4,147.4509,9.81
5513,trigonelline,bmse000152,5,139.591,3.58
5514,trigonelline,bmse000152,6,130.3808,12.5
5515,trigonelline,bmse000152,7,50.9868,3.8
5516,L_kynurenine,bmse000172,1,202.7838,4.18
5517,L_kynurenine,bmse000172,2,176.9655,3.82
5518,L_kynurenine,bmse000172,3,153.0281,3.8
5519,L_kynurenine,bmse000172,4,138.3201,10.63
5520,L_kynurenine,bmse000172,5,134.0077,10.47
5521,L_kynurenine,bmse000172,6,120.7487,12.5
5522,L_kynurenine,bmse000172,7,120.1347,3.19
5523,L_kynurenine,bmse000172,8,119.5469,11.71
5524,L_kynurenine,bmse000172,9,53.4373,9.6
5525,L_kynurenine,bmse000172,10,53.3893,1.75
5526,L_kynurenine,bmse000172,11,41.6724,9.4
5527,4_hydroxyphenethyl_alcohol,bmse000173,1,156.5231,1.3
5528,4_hydroxyphenethyl_alcohol,bmse000173,2,133.6531,2.03
5529,4_hydroxyphenethyl_alcohol,bmse000173,3,133.0108,12.05
5530,4_hydroxyphenethyl_alcohol,bmse000173,4,118.0973,12.5
5531,4_hydroxyphenethyl_alcohol,bmse000173,5,65.4628,5.4
5532,4_hydroxyphenethyl_alcohol,bmse000173,6,39.6054,5.27
5533,L_glutathione_oxidized,bmse000170,1,179.0431,5.08
5534,L_glutathione_oxidized,bmse000170,2,177.7295,7.27
5535,L_glutathione_oxidized,bmse000170,3,176.8436,5.71
5536,L_glutathione_oxidized,bmse000170,4,174.576,7.14
5537,L_glutathione_oxidized,bmse000170,5,56.7983,12.5
5538,L_glutathione_oxidized,bmse000170,6,55.2962,6.93
5539,L_glutathione_oxidized,bmse000170,7,46.1769,10
5540,L_glutathione_oxidized,bmse000170,8,41.3939,5.3
5541,L_glutathione_oxidized,bmse000170,9,34.0976,8.71
5542,L_glutathione_oxidized,bmse000170,10,28.9834,9.22
5543,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,1,137.9087,2.24
5544,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,2,137.8673,2.37
5633,L_glutathione_reduced,bmse000185,7,46.0594,11.98
5545,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,3,131.376,12.5
5546,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,4,131.3613,12.49
5547,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,5,130.699,5.71
5548,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,6,130.6797,5.71
5549,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,7,130.3647,10.88
5550,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,8,130.3201,11.19
5551,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,9,58.3213,5.52
5552,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,10,57.0571,5.41
5553,2_amino_5_ethyl_1_3_4_thiadiazole,bmse000176,1,168.4472,1.23
5554,2_amino_5_ethyl_1_3_4_thiadiazole,bmse000176,2,25.8692,12.5
5555,2_amino_5_ethyl_1_3_4_thiadiazole,bmse000176,3,15.8228,11.49
5556,indole_3_acetic_acid,bmse000177,1,184.4014,2.14
5557,indole_3_acetic_acid,bmse000177,2,138.8639,1.78
5558,indole_3_acetic_acid,bmse000177,3,129.8341,1.84
5559,indole_3_acetic_acid,bmse000177,4,126.7302,9.37
5560,indole_3_acetic_acid,bmse000177,5,124.4124,12.5
5561,indole_3_acetic_acid,bmse000177,6,121.7961,11.6
5562,indole_3_acetic_acid,bmse000177,7,121.3961,11.96
5563,indole_3_acetic_acid,bmse000177,8,114.4077,11.75
5564,indole_3_acetic_acid,bmse000177,9,113.0393,2.26
5565,indole_3_acetic_acid,bmse000177,10,36.6627,11.8
5566,5_acetylamino_2_nitrobenzoic_acid,bmse000174,1,177.1121,2.86
5567,5_acetylamino_2_nitrobenzoic_acid,bmse000174,2,175.8429,2.97
5568,5_acetylamino_2_nitrobenzoic_acid,bmse000174,3,146.1205,4.91
5569,5_acetylamino_2_nitrobenzoic_acid,bmse000174,4,142.1751,2.25
5570,5_acetylamino_2_nitrobenzoic_acid,bmse000174,5,140.3992,5.19
5571,5_acetylamino_2_nitrobenzoic_acid,bmse000174,6,135.1671,1.17
5572,5_acetylamino_2_nitrobenzoic_acid,bmse000174,7,128.5755,12.5
5573,5_acetylamino_2_nitrobenzoic_acid,bmse000174,8,122.2003,7.85
5574,5_acetylamino_2_nitrobenzoic_acid,bmse000174,9,120.5307,8.5
5575,5_acetylamino_2_nitrobenzoic_acid,bmse000174,10,26.0734,7.9
5576,inosine_5_monophosphate,bmse000175,1,161.425,3.75
5577,inosine_5_monophosphate,bmse000175,2,151.4802,4.81
5578,inosine_5_monophosphate,bmse000175,3,149.0993,9.26
5579,inosine_5_monophosphate,bmse000175,4,142.6513,8.28
5580,inosine_5_monophosphate,bmse000175,5,126.224,3.55
5581,inosine_5_monophosphate,bmse000175,6,90.0513,11.57
5582,inosine_5_monophosphate,bmse000175,7,87.5897,6.17
5583,inosine_5_monophosphate,bmse000175,8,87.5029,6.25
5584,inosine_5_monophosphate,bmse000175,9,77.4723,12.43
5585,inosine_5_monophosphate,bmse000175,10,73.3415,12.5
5586,inosine_5_monophosphate,bmse000175,11,66.1817,4.69
5587,inosine_5_monophosphate,bmse000175,12,66.1371,4.9
5588,acetylcholine,bmse000168,1,175.9351,1.7
5589,acetylcholine,bmse000168,2,67.2352,3.17
5590,acetylcholine,bmse000168,3,67.2022,3.69
5591,acetylcholine,bmse000168,4,67.1693,3.21
5592,acetylcholine,bmse000168,5,61.0489,9.91
5593,acetylcholine,bmse000168,6,56.5037,10.75
5594,acetylcholine,bmse000168,7,56.4653,12.5
5595,acetylcholine,bmse000168,8,56.4269,11.09
5596,acetylcholine,bmse000168,9,22.907,5.01
5597,L_selenomethionine,bmse000169,1,177.0007,2.6
5598,L_selenomethionine,bmse000169,2,57.4374,11.47
5599,L_selenomethionine,bmse000169,3,33.6291,11.68
5600,L_selenomethionine,bmse000169,4,21.9577,12.5
5601,L_selenomethionine,bmse000169,5,5.9908,6.84
5602,L_carnitine,bmse000211,1,180.7932,2.55
5603,L_carnitine,bmse000211,2,72.8484,3.55
5604,L_carnitine,bmse000211,3,72.8194,4.35
5605,L_carnitine,bmse000211,4,72.7905,3.77
5606,L_carnitine,bmse000211,5,66.787,9.83
5607,L_carnitine,bmse000211,6,56.8352,10.16
5608,L_carnitine,bmse000211,7,56.7971,12.5
5609,L_carnitine,bmse000211,8,56.7587,10.72
5610,L_carnitine,bmse000211,9,45.6836,6.68
5611,2_deoxyguanosine_5_triphosphate,bmse000210,1,161.5994,4.1
5612,2_deoxyguanosine_5_triphosphate,bmse000210,2,156.5483,6.62
5613,2_deoxyguanosine_5_triphosphate,bmse000210,3,153.9201,3.76
5614,2_deoxyguanosine_5_triphosphate,bmse000210,4,140.177,4.97
5615,2_deoxyguanosine_5_triphosphate,bmse000210,5,118.7094,3.56
5616,2_deoxyguanosine_5_triphosphate,bmse000210,6,88.3356,4.95
5617,2_deoxyguanosine_5_triphosphate,bmse000210,7,88.2497,5.03
5618,2_deoxyguanosine_5_triphosphate,bmse000210,8,86.1217,10.42
5619,2_deoxyguanosine_5_triphosphate,bmse000210,9,85.9663,1.24
5620,2_deoxyguanosine_5_triphosphate,bmse000210,10,73.5912,12.5
5621,2_deoxyguanosine_5_triphosphate,bmse000210,11,73.4257,1.36
5622,2_deoxyguanosine_5_triphosphate,bmse000210,12,68.0836,4.3
5623,2_deoxyguanosine_5_triphosphate,bmse000210,13,68.0298,4.01
5624,2_deoxyguanosine_5_triphosphate,bmse000210,14,60.1564,2.92
5625,2_deoxyguanosine_5_triphosphate,bmse000210,15,41.4696,9.7
5626,2_deoxyguanosine_5_triphosphate,bmse000210,16,19.5226,3.19
5627,L_glutathione_reduced,bmse000185,1,179.0844,3.34
5628,L_glutathione_reduced,bmse000185,2,177.7381,6.24
5629,L_glutathione_reduced,bmse000185,3,176.8762,4.09
5630,L_glutathione_reduced,bmse000185,4,174.517,4.49
5631,L_glutathione_reduced,bmse000185,5,58.485,9.28
5632,L_glutathione_reduced,bmse000185,6,56.8252,12.5
5634,L_glutathione_reduced,bmse000185,8,34.0617,10.25
5635,L_glutathione_reduced,bmse000185,9,28.9279,10.05
5636,L_glutathione_reduced,bmse000185,10,28.2991,8.79
5637,L-ascorbate,bmse000182,1,180.3168,1.43
5638,L-ascorbate,bmse000182,2,178.4832,2.74
5639,L-ascorbate,bmse000182,3,115.802,1.21
5640,L-ascorbate,bmse000182,4,81.1004,12.5
5641,L-ascorbate,bmse000182,5,72.2534,11.82
5642,L-ascorbate,bmse000182,6,65.2522,10.99
5643,glycerol,bmse000184,1,74.7687,5.34
5644,glycerol,bmse000184,2,65.1855,12.5
5645,succinic_acid,bmse000183,1,185.1723,12.5
5646,diethyl_oxalacetate,bmse000148,1,175.4103,2.81
5647,diethyl_oxalacetate,bmse000148,2,174.3091,2.64
5648,diethyl_oxalacetate,bmse000148,3,173.4326,3.11
5649,diethyl_oxalacetate,bmse000148,4,168.1048,3.57
5650,diethyl_oxalacetate,bmse000148,5,163.0751,2.84
5651,diethyl_oxalacetate,bmse000148,6,107.9727,2.93
5652,diethyl_oxalacetate,bmse000148,7,66.4032,12.5
5653,diethyl_oxalacetate,bmse000148,8,64.8073,11.65
5654,diethyl_oxalacetate,bmse000148,9,63.2252,12.35
5655,diethyl_oxalacetate,bmse000148,10,60.1425,6.53
5656,diethyl_oxalacetate,bmse000148,11,19.5054,7.69
5657,diethyl_oxalacetate,bmse000148,12,16.4349,10.31
5658,diethyl_oxalacetate,bmse000148,13,16.0264,10.85
5659,diethyl_oxalacetate,bmse000148,14,15.8307,11.05
5660,diethyl_oxalacetate,bmse000148,15,8.3719,1.46
5661,methyl_4_aminobutyrate,bmse000249,1,178.332,2.3
5662,methyl_4_aminobutyrate,bmse000249,2,55.0318,9.91
5663,methyl_4_aminobutyrate,bmse000249,3,41.3931,9.31
5664,methyl_4_aminobutyrate,bmse000249,4,33.2371,12.5
5665,methyl_4_aminobutyrate,bmse000249,5,24.7364,10.01
5666,acetic_acid,bmse000191,1,25.9921,12.5
5667,DL_alpha_glycerol_phosphate,bmse000193,1,74.017,6.6
5668,DL_alpha_glycerol_phosphate,bmse000193,2,73.9509,6.61
5669,DL_alpha_glycerol_phosphate,bmse000193,3,67.5764,6.42
5670,DL_alpha_glycerol_phosphate,bmse000193,4,67.5279,6.33
5671,DL_alpha_glycerol_phosphate,bmse000193,5,64.9909,12.5
5672,L_arginine_L_glutamate,bmse000194,1,184.0271,2.62
5673,L_arginine_L_glutamate,bmse000194,2,177.3004,2.69
5674,L_arginine_L_glutamate,bmse000194,3,177.2486,3.51
5675,L_arginine_L_glutamate,bmse000194,4,159.5217,1.58
5676,L_arginine_L_glutamate,bmse000194,5,57.3276,11.34
5677,L_arginine_L_glutamate,bmse000194,6,56.9877,12.33
5678,L_arginine_L_glutamate,bmse000194,7,43.187,10.69
5679,L_arginine_L_glutamate,bmse000194,8,36.1773,12.5
5680,L_arginine_L_glutamate,bmse000194,9,30.2821,11.31
5681,L_arginine_L_glutamate,bmse000194,10,29.6813,11.66
5682,L_arginine_L_glutamate,bmse000194,11,26.565,9.36
5683,N_alpha_acetyl_DL_ornithine,bmse000195,1,181.278,2.84
5684,N_alpha_acetyl_DL_ornithine,bmse000195,2,176.3942,3.3
5685,N_alpha_acetyl_DL_ornithine,bmse000195,3,57.2647,12.5
5686,N_alpha_acetyl_DL_ornithine,bmse000195,4,41.7026,11.36
5687,N_alpha_acetyl_DL_ornithine,bmse000195,5,31.2562,11.58
5688,N_alpha_acetyl_DL_ornithine,bmse000195,6,26.1175,10.85
5689,N_alpha_acetyl_DL_ornithine,bmse000195,7,24.6039,9.43
5690,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,1,177.1802,4.22
5691,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,2,100.7816,12.14
5692,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,3,74.3693,12.5
5693,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,4,73.8173,11.87
5694,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,5,72.6604,11.86
5695,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,6,63.2442,9.78
5696,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,7,57.84,10.7
5697,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,8,56.3295,11.36
5698,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,9,24.5939,9.03
5699,N_acetyl_D_glucosamine_1_phosphate,bmse000197,1,177.4262,6.89
5700,N_acetyl_D_glucosamine_1_phosphate,bmse000197,2,95.5064,6.59
5701,N_acetyl_D_glucosamine_1_phosphate,bmse000197,3,95.4519,6.61
5702,N_acetyl_D_glucosamine_1_phosphate,bmse000197,4,74.8112,12.48
5703,N_acetyl_D_glucosamine_1_phosphate,bmse000197,5,74.1248,11.53
5704,N_acetyl_D_glucosamine_1_phosphate,bmse000197,6,72.717,12.5
5705,N_acetyl_D_glucosamine_1_phosphate,bmse000197,7,63.3991,10.48
5706,N_acetyl_D_glucosamine_1_phosphate,bmse000197,8,60.1385,1.19
5707,N_acetyl_D_glucosamine_1_phosphate,bmse000197,9,56.8941,6.31
5708,N_acetyl_D_glucosamine_1_phosphate,bmse000197,10,56.82,5.92
5709,N_acetyl_D_glucosamine_1_phosphate,bmse000197,11,24.8547,11.82
5710,N_acetyl_D_glucosamine_1_phosphate,bmse000197,12,19.5064,1.35
5711,6_phosphogluconic_acid,bmse000198,1,181.6058,3.57
5712,6_phosphogluconic_acid,bmse000198,2,76.871,10.24
5713,6_phosphogluconic_acid,bmse000198,3,74.5728,12.34
5714,6_phosphogluconic_acid,bmse000198,4,73.5923,12.5
5715,6_phosphogluconic_acid,bmse000198,5,73.3427,6.13
5716,6_phosphogluconic_acid,bmse000198,6,73.2817,6
5717,6_phosphogluconic_acid,bmse000198,7,67.8378,5.3
5718,6_phosphogluconic_acid,bmse000198,8,67.7897,5.02
5719,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,1,177.4856,7.09
5720,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,2,169.018,6.26
5721,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,3,154.5678,4.71
5722,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,4,144.3458,8.41
5723,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,5,105.3664,9.76
5724,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,6,97.2217,5.52
5725,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,7,97.1586,5.3
5726,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,8,91.2324,10.4
5727,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,9,85.9265,5.45
5728,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,10,85.8356,5.37
5729,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,11,76.5038,12.5
5730,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,12,75.7265,10.47
5731,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,13,73.618,9.4
5732,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,14,72.3363,12.03
5733,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,15,72.1894,10.68
5734,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,16,67.7104,4.06
5735,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,17,67.6547,4.21
5736,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,18,63.011,8.29
5737,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,19,56.4123,4.85
5738,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,20,56.3279,4.86
5739,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,21,24.8017,11.06
5740,D_glucosamine_6_phosphate,bmse000189,1,96.7641,3.96
5741,D_glucosamine_6_phosphate,bmse000189,2,92.5468,9.11
5742,D_glucosamine_6_phosphate,bmse000189,3,78.573,7.72
5743,D_glucosamine_6_phosphate,bmse000189,4,78.5029,8.09
5744,D_glucosamine_6_phosphate,bmse000189,5,75.3,3.82
5745,D_glucosamine_6_phosphate,bmse000189,6,74.241,8.9
5746,D_glucosamine_6_phosphate,bmse000189,7,74.1735,8.79
5747,D_glucosamine_6_phosphate,bmse000189,8,72.61,7.6
5748,D_glucosamine_6_phosphate,bmse000189,9,72.216,8.01
5749,D_glucosamine_6_phosphate,bmse000189,10,72.0861,11.81
5750,D_glucosamine_6_phosphate,bmse000189,11,65.6945,5.67
5751,D_glucosamine_6_phosphate,bmse000189,12,65.5318,8.2
5752,D_glucosamine_6_phosphate,bmse000189,13,59.9922,8.37
5753,D_glucosamine_6_phosphate,bmse000189,14,57.442,12.5
5754,N_acetyl_D_glucosamine_6_phosphate,bmse000205,1,177.6459,3.99
5755,N_acetyl_D_glucosamine_6_phosphate,bmse000205,2,177.3558,6.21
5756,N_acetyl_D_glucosamine_6_phosphate,bmse000205,3,97.9785,9.64
5757,N_acetyl_D_glucosamine_6_phosphate,bmse000205,4,93.8355,12.5
5758,N_acetyl_D_glucosamine_6_phosphate,bmse000205,5,78.3788,4.55
5759,N_acetyl_D_glucosamine_6_phosphate,bmse000205,6,78.3082,5
5760,N_acetyl_D_glucosamine_6_phosphate,bmse000205,7,76.3335,8.77
5761,N_acetyl_D_glucosamine_6_phosphate,bmse000205,8,74.1312,5.77
5762,N_acetyl_D_glucosamine_6_phosphate,bmse000205,9,74.0636,5.71
5763,N_acetyl_D_glucosamine_6_phosphate,bmse000205,10,73.273,9.62
5764,N_acetyl_D_glucosamine_6_phosphate,bmse000205,11,72.5985,6.43
5765,N_acetyl_D_glucosamine_6_phosphate,bmse000205,12,72.4066,4.3
5766,N_acetyl_D_glucosamine_6_phosphate,bmse000205,13,65.8183,6.34
5767,N_acetyl_D_glucosamine_6_phosphate,bmse000205,14,59.7314,6.92
5768,N_acetyl_D_glucosamine_6_phosphate,bmse000205,15,57.09,11.32
5769,N_acetyl_D_glucosamine_6_phosphate,bmse000205,16,25.09,7.17
5770,N_acetyl_D_glucosamine_6_phosphate,bmse000205,17,24.8284,8.82
5771,N_acetyl_D_glucosamine_6_phosphate,bmse000205,18,24.6366,2.13
5772,N_acetyl_D_glucosamine_6_phosphate,bmse000205,19,8.3826,2.3
5773,formate,bmse000203,1,173.8915,12.5
5774,HEPES,bmse000202,1,60.8048,5.44
5775,HEPES,bmse000202,2,58.5772,7.51
5776,HEPES,bmse000202,3,54.5149,8.11
5777,HEPES,bmse000202,4,54.0844,12.5
5778,HEPES,bmse000202,5,52.383,11.07
5779,HEPES,bmse000202,6,50.0053,7.83
5780,D_citrulline,bmse000209,1,177.3935,5.6
5781,D_citrulline,bmse000209,2,164.2858,1.35
5782,D_citrulline,bmse000209,3,57.1942,10.87
5783,D_citrulline,bmse000209,4,41.9172,1.9
5784,D_citrulline,bmse000209,5,30.442,12.5
5785,D_citrulline,bmse000209,6,27.6603,6.22
5786,tryptamine,bmse000207,1,139.1467,1.96
5787,tryptamine,bmse000207,2,129.1548,2.05
5788,tryptamine,bmse000207,3,127.0515,9.42
5789,tryptamine,bmse000207,4,124.8771,12.23
5790,tryptamine,bmse000207,5,122.1292,11.7
5791,tryptamine,bmse000207,6,121.0332,11.62
5792,tryptamine,bmse000207,7,114.7782,11.66
5793,tryptamine,bmse000207,8,111.7871,2.5
5794,tryptamine,bmse000207,9,42.4461,10.28
5795,tryptamine,bmse000207,10,25.3872,12.5
5796,caffeine,bmse000206,1,158.3677,2.3
5797,caffeine,bmse000206,2,154.8444,2.1
5798,caffeine,bmse000206,3,150.6943,2.53
5799,caffeine,bmse000206,4,146.1726,12.5
5800,caffeine,bmse000206,5,109.992,1.93
5801,caffeine,bmse000206,6,36.1671,12
5802,caffeine,bmse000206,7,32.5176,11.72
5803,caffeine,bmse000206,8,30.6092,12.15
5804,DL_serine,bmse000222,1,175.1858,1.49
5805,DL_serine,bmse000222,2,62.8818,12.5
5806,DL_serine,bmse000222,3,59.0696,9.18
5807,kanamycin,bmse000201,1,103.0882,11.25
5808,kanamycin,bmse000201,2,99.3708,11.19
5809,kanamycin,bmse000201,3,87.4547,11.03
5810,kanamycin,bmse000201,4,82.3518,10.12
5811,kanamycin,bmse000201,5,76.1335,11.05
5918,FAD,bmse000226,16,86.1706,4.9
5812,kanamycin,bmse000201,6,75.2746,11.27
5813,kanamycin,bmse000201,7,74.8051,11.96
5814,kanamycin,bmse000201,8,73.8216,11.92
5815,kanamycin,bmse000201,9,73.7132,12.5
5816,kanamycin,bmse000201,10,71.3274,11.8
5817,kanamycin,bmse000201,11,71.2135,10.89
5818,kanamycin,bmse000201,12,68.4669,11.25
5819,kanamycin,bmse000201,13,62.5738,8.79
5820,kanamycin,bmse000201,14,57.6876,10.31
5821,kanamycin,bmse000201,15,52.8142,10.87
5822,kanamycin,bmse000201,16,50.8624,10.67
5823,kanamycin,bmse000201,17,43.1772,9.79
5824,kanamycin,bmse000201,18,32.4006,6.43
5825,D_galacturonic_acid,bmse000216,1,178.7328,1.92
5826,D_galacturonic_acid,bmse000216,2,177.8683,2.95
5827,D_galacturonic_acid,bmse000216,3,103.6266,1.14
5828,D_galacturonic_acid,bmse000216,4,98.6973,11.64
5829,D_galacturonic_acid,bmse000216,5,94.8821,8.1
5830,D_galacturonic_acid,bmse000216,6,86.1096,1.16
5831,D_galacturonic_acid,bmse000216,7,83.8927,1.25
5832,D_galacturonic_acid,bmse000216,8,78.2191,12.5
5833,D_galacturonic_acid,bmse000216,9,75.5921,12.15
5834,D_galacturonic_acid,bmse000216,10,74.2733,11.54
5835,D_galacturonic_acid,bmse000216,11,74.0687,8.3
5836,D_galacturonic_acid,bmse000216,12,73.5175,7.92
5837,D_galacturonic_acid,bmse000216,13,73.4128,1.2
5838,D_galacturonic_acid,bmse000216,14,73.0403,11.9
5839,D_galacturonic_acid,bmse000216,15,72.0425,8.11
5840,D_galacturonic_acid,bmse000216,16,70.7295,8.19
5841,melibiose,bmse000215,1,100.9074,4.94
5842,melibiose,bmse000215,2,100.8624,8.18
5843,melibiose,bmse000215,3,98.7735,7.77
5844,melibiose,bmse000215,4,94.8936,4.8
5845,melibiose,bmse000215,5,78.5818,7.92
5846,melibiose,bmse000215,6,77.0481,7.86
5847,melibiose,bmse000215,7,76.7432,7.91
5848,melibiose,bmse000215,8,75.641,4.51
5849,melibiose,bmse000215,9,74.115,4.66
5850,melibiose,bmse000215,10,73.6521,8.63
5851,melibiose,bmse000215,11,72.7897,4.38
5852,melibiose,bmse000215,12,72.2675,4.58
5853,melibiose,bmse000215,13,72.1681,11.13
5854,melibiose,bmse000215,14,72.1168,8.41
5855,melibiose,bmse000215,15,71.8969,12.5
5856,melibiose,bmse000215,16,71.1809,5.01
5857,melibiose,bmse000215,17,71.1499,8
5858,melibiose,bmse000215,18,68.5997,3.4
5859,melibiose,bmse000215,19,68.5048,5.74
5860,melibiose,bmse000215,20,63.7993,7.48
5861,raffinose,bmse000221,1,106.4984,12
5862,raffinose,bmse000221,2,101.1619,11.75
5863,raffinose,bmse000221,3,94.8107,10.5
5864,raffinose,bmse000221,4,84.0386,10.37
5865,raffinose,bmse000221,5,78.9908,10.66
5866,raffinose,bmse000221,6,76.6708,10.74
5867,raffinose,bmse000221,7,75.3481,10.62
5868,raffinose,bmse000221,8,74.0893,10.03
5869,raffinose,bmse000221,9,73.7298,10.76
5870,raffinose,bmse000221,10,73.6491,10.76
5871,raffinose,bmse000221,11,72.1375,11.45
5872,raffinose,bmse000221,12,72.0811,10.61
5873,raffinose,bmse000221,13,71.8977,12.5
5874,raffinose,bmse000221,14,71.1782,10.63
5875,raffinose,bmse000221,15,68.5609,7.4
5876,raffinose,bmse000221,16,65.174,9.27
5877,raffinose,bmse000221,17,64.0591,8.59
5878,raffinose,bmse000221,18,63.8064,10.78
5879,phenylacetic_acid,bmse000220,1,140.0132,1.48
5880,phenylacetic_acid,bmse000220,2,131.8678,12.4
5881,phenylacetic_acid,bmse000220,3,131.3739,12.5
5882,phenylacetic_acid,bmse000220,4,129.1624,7.27
5883,phenylacetic_acid,bmse000220,5,47.1763,7.68
5884,quinolinic_acid,bmse000219,1,151.0633,4.64
5885,quinolinic_acid,bmse000219,2,139.9295,12.5
5886,quinolinic_acid,bmse000219,3,134.2225,1.66
5887,quinolinic_acid,bmse000219,4,126.3609,1.43
5888,L_arabinose,bmse000213,1,99.4707,11.84
5889,L_arabinose,bmse000213,2,95.2773,6.36
5890,L_arabinose,bmse000213,3,85.6557,1.01
5891,L_arabinose,bmse000213,4,75.1558,12.46
5892,L_arabinose,bmse000213,5,74.5445,11.65
5893,L_arabinose,bmse000213,6,71.3975,5.23
5894,L_arabinose,bmse000213,7,71.291,6.33
5895,L_arabinose,bmse000213,8,71.19,12.5
5896,L_arabinose,bmse000213,9,71.1316,6.46
5897,L_arabinose,bmse000213,10,69.092,10.76
5898,L_arabinose,bmse000213,11,65.1629,5.63
5899,L_arabinose,bmse000213,12,63.7809,1.01
5900,maleic_acid,bmse000212,1,178.0156,12.5
5901,maleic_acid,bmse000212,2,138.0455,2.52
5902,trimethylamine,bmse000224,1,47.3627,12.5
5903,FAD,bmse000226,1,164.0687,6.03
5904,FAD,bmse000226,2,160.4644,6.44
5905,FAD,bmse000226,3,157.4008,5.27
5906,FAD,bmse000226,4,155.0401,6.79
5907,FAD,bmse000226,5,153.2024,6.31
5908,FAD,bmse000226,6,152.7018,4.88
5909,FAD,bmse000226,7,150.7506,8.42
5910,FAD,bmse000226,8,141.8033,9.25
5911,FAD,bmse000226,9,137.3022,7.38
5912,FAD,bmse000226,10,136.7199,6.9
5913,FAD,bmse000226,11,134.1126,5.24
5914,FAD,bmse000226,12,133.1145,6.31
5915,FAD,bmse000226,13,120.4006,4.97
5916,FAD,bmse000226,14,119.1392,5.98
5917,FAD,bmse000226,15,89.8286,8.42
5919,FAD,bmse000226,17,77.5902,9.53
5920,FAD,bmse000226,18,75.1902,7.63
5921,FAD,bmse000226,19,73.8874,4.74
5922,FAD,bmse000226,20,72.6742,9.77
5923,FAD,bmse000226,21,72.0204,7.14
5924,FAD,bmse000226,22,49.8304,4.6
5925,FAD,bmse000226,23,23.4503,12.23
5926,FAD,bmse000226,24,21.3064,12.5
5927,biotin,bmse000227,1,186.5202,3.08
5928,biotin,bmse000227,2,168.1155,1.31
5929,biotin,bmse000227,3,64.7083,11.47
5930,biotin,bmse000227,4,62.9655,10.94
5931,biotin,bmse000227,5,58.0656,12.5
5932,biotin,bmse000227,6,42.4481,10.02
5933,biotin,bmse000227,7,40.0331,11.31
5934,biotin,bmse000227,8,30.9897,10.73
5935,biotin,bmse000227,9,30.4007,10.87
5936,biotin,bmse000227,10,28.3888,11.03
5937,L_malic_acid,bmse000238,1,183.7653,2.22
5938,L_malic_acid,bmse000238,2,182.5621,2.11
5939,L_malic_acid,bmse000238,3,73.0565,11
5940,L_malic_acid,bmse000238,4,45.325,12.5
5941,DL_pipecolic_acid,bmse000237,1,177.3687,2.02
5942,DL_pipecolic_acid,bmse000237,2,61.7014,10.46
5943,DL_pipecolic_acid,bmse000237,3,46.3684,11.14
5944,DL_pipecolic_acid,bmse000237,4,29.2254,12.03
5945,DL_pipecolic_acid,bmse000237,5,24.5183,12.5
5946,DL_pipecolic_acid,bmse000237,6,24.2597,11.72
5947,alpha_naphthoic_acid,bmse000178,1,180.9525,1.22
5948,alpha_naphthoic_acid,bmse000178,2,140.3164,2.38
5949,alpha_naphthoic_acid,bmse000178,3,136.0023,3.43
5950,alpha_naphthoic_acid,bmse000178,4,131.8378,2.83
5951,alpha_naphthoic_acid,bmse000178,5,131.5775,11.93
5952,alpha_naphthoic_acid,bmse000178,6,130.9661,12.32
5953,alpha_naphthoic_acid,bmse000178,7,129.4469,11.78
5954,alpha_naphthoic_acid,bmse000178,8,128.9278,12.24
5955,alpha_naphthoic_acid,bmse000178,9,128.3008,11.2
5956,alpha_naphthoic_acid,bmse000178,10,128.1263,11.47
5957,alpha_naphthoic_acid,bmse000178,11,126.9179,12.5
5958,L_lactic_acid,bmse000208,1,185.2568,1.47
5959,L_lactic_acid,bmse000208,2,71.1986,10.31
5960,L_lactic_acid,bmse000208,3,22.7605,12.5
5961,thymidine,bmse000244,1,169.2606,1.96
5962,thymidine,bmse000244,2,154.4362,2.17
5963,thymidine,bmse000244,3,140.2111,10.41
5964,thymidine,bmse000244,4,114.1556,4.85
5965,thymidine,bmse000244,5,89.1962,12.5
5966,thymidine,bmse000244,6,87.7135,11.37
5967,thymidine,bmse000244,7,73.1301,12.1
5968,thymidine,bmse000244,8,63.8632,10.49
5969,thymidine,bmse000244,9,41.1957,10.46
5970,thymidine,bmse000244,10,14.2614,10.1
5971,citraconic_acid,bmse000199,1,182.5855,1.19
5972,citraconic_acid,bmse000199,2,177.0006,1.62
5973,citraconic_acid,bmse000199,3,150.7235,3.14
5974,citraconic_acid,bmse000199,4,122.9987,12.5
5975,citraconic_acid,bmse000199,5,23.083,10.26
5976,homogentisic_acid,bmse000200,1,183.4495,2.25
5977,homogentisic_acid,bmse000200,2,151.5798,3.49
5978,homogentisic_acid,bmse000200,3,150.3577,2.71
5979,homogentisic_acid,bmse000200,4,128.3103,4.07
5980,homogentisic_acid,bmse000200,5,120.3611,12.12
5981,homogentisic_acid,bmse000200,6,119.7948,12.5
5982,homogentisic_acid,bmse000200,7,117.1989,12.11
5983,homogentisic_acid,bmse000200,8,42.6626,11.69
5984,isonicotinic_acid,bmse000133,1,152.265,11.27
5985,isonicotinic_acid,bmse000133,2,143.3482,1.49
5986,isonicotinic_acid,bmse000133,3,124.3227,12.5
5987,homovanillic_acid,bmse000132,1,184.0342,2.31
5988,homovanillic_acid,bmse000132,2,149.9125,2.75
5989,homovanillic_acid,bmse000132,3,145.8277,2.64
5990,homovanillic_acid,bmse000132,4,132.7556,4.92
5991,homovanillic_acid,bmse000132,5,124.6363,12.01
5992,homovanillic_acid,bmse000132,6,118.1634,12.5
5993,homovanillic_acid,bmse000132,7,116.1596,11.86
5994,homovanillic_acid,bmse000132,8,58.5972,11.89
5995,homovanillic_acid,bmse000132,9,46.5865,11.75
5996,cyanuric_acid,bmse000135,1,158.7585,12.5
5997,ethacrynic_acid,bmse000134,1,202.3118,4.43
5998,ethacrynic_acid,bmse000134,2,177.9826,5
5999,ethacrynic_acid,bmse000134,3,158.7271,7.04
6000,ethacrynic_acid,bmse000134,4,152.4416,9.11
6001,ethacrynic_acid,bmse000134,5,134.6377,7.45
6002,ethacrynic_acid,bmse000134,6,134.3055,7.14
6003,ethacrynic_acid,bmse000134,7,133.1034,4.2
6004,ethacrynic_acid,bmse000134,8,130.6445,11.98
6005,ethacrynic_acid,bmse000134,9,124.6188,3.16
6006,ethacrynic_acid,bmse000134,10,113.5528,12.1
6007,ethacrynic_acid,bmse000134,11,70.3721,12.5
6008,ethacrynic_acid,bmse000134,12,25.8093,12.14
6009,ethacrynic_acid,bmse000134,13,14.5372,10.57
6010,itaconic_acid,bmse000137,1,183.4319,1.66
6011,itaconic_acid,bmse000137,2,144.4598,3.08
6012,itaconic_acid,bmse000137,3,124.7498,11.94
6013,itaconic_acid,bmse000137,4,44.7199,12.5
6014,amygdalin,bmse000139,1,135.1591,3.04
6015,amygdalin,bmse000139,2,133.2211,4.82
6016,amygdalin,bmse000139,3,132.0805,12.5
6017,amygdalin,bmse000139,4,130.5071,12.26
6018,amygdalin,bmse000139,5,121.2539,2.79
6019,amygdalin,bmse000139,6,105.5549,5
6020,amygdalin,bmse000139,7,104.1485,4.67
6021,amygdalin,bmse000139,8,78.6035,5.33
6022,amygdalin,bmse000139,9,78.2945,5.19
6023,amygdalin,bmse000139,10,78.182,4.9
6024,amygdalin,bmse000139,11,78.0819,4.95
6025,amygdalin,bmse000139,12,75.9,5.09
6026,amygdalin,bmse000139,13,75.4567,4.78
6027,amygdalin,bmse000139,14,72.369,5.36
6028,amygdalin,bmse000139,15,71.8621,4.67
6029,amygdalin,bmse000139,16,71.7644,5.77
6030,amygdalin,bmse000139,17,70.9831,3.34
6031,amygdalin,bmse000139,18,63.4233,3.79
6032,D_cellobiose,bmse000138,1,105.2663,8.21
6033,D_cellobiose,bmse000138,2,105.2381,5.61
6034,D_cellobiose,bmse000138,3,98.4528,7.32
6035,D_cellobiose,bmse000138,4,94.5197,4.61
6036,D_cellobiose,bmse000138,5,81.4215,4.68
6037,D_cellobiose,bmse000138,6,81.2838,7.67
6038,D_cellobiose,bmse000138,7,78.6932,12.12
6039,D_cellobiose,bmse000138,8,78.1874,12.5
6040,D_cellobiose,bmse000138,9,77.5013,7.76
6041,D_cellobiose,bmse000138,10,76.9856,7.78
6042,D_cellobiose,bmse000138,11,76.5907,7.38
6043,D_cellobiose,bmse000138,12,75.8703,9.08
6044,D_cellobiose,bmse000138,13,74.0348,4.8
6045,D_cellobiose,bmse000138,14,73.925,5.13
6046,D_cellobiose,bmse000138,15,72.8163,4.72
6047,D_cellobiose,bmse000138,16,72.1615,6.12
6048,D_cellobiose,bmse000138,17,72.1439,8.59
6049,D_cellobiose,bmse000138,18,63.2643,6.56
6050,D_cellobiose,bmse000138,19,62.74,5.36
6051,D_cellobiose,bmse000138,20,62.606,3.56
6052,gamma_D_galactonolactone,bmse000141,1,178.7234,2.86
6053,gamma_D_galactonolactone,bmse000141,2,82.7298,12.5
6054,gamma_D_galactonolactone,bmse000141,3,76.4007,12.48
6055,gamma_D_galactonolactone,bmse000141,4,75.5187,12.19
6056,gamma_D_galactonolactone,bmse000141,5,74.2346,3.63
6057,gamma_D_galactonolactone,bmse000141,6,74.0161,3.26
6058,gamma_D_galactonolactone,bmse000141,7,72.7812,3.45
6059,gamma_D_galactonolactone,bmse000141,8,72.4324,3.36
6060,gamma_D_galactonolactone,bmse000141,9,71.5773,12.34
6061,gamma_D_galactonolactone,bmse000141,10,66.0277,3.07
6062,gamma_D_galactonolactone,bmse000141,11,64.6899,11.19
6063,D_glucuronate,bmse000140,1,179.6525,1.52
6064,D_glucuronate,bmse000140,2,178.6724,2.78
6065,D_glucuronate,bmse000140,3,98.5755,11.73
6066,D_glucuronate,bmse000140,4,94.8123,7.69
6067,D_glucuronate,bmse000140,5,78.959,12.5
6068,D_glucuronate,bmse000140,6,78.2467,11.99
6069,D_glucuronate,bmse000140,7,76.6906,11.59
6070,D_glucuronate,bmse000140,8,75.2591,7.37
6071,D_glucuronate,bmse000140,9,74.8051,6.93
6072,D_glucuronate,bmse000140,10,74.5748,8
6073,D_glucuronate,bmse000140,11,74.5431,12.46
6074,D_glucuronate,bmse000140,12,73.9985,7.55
6075,L_gulonolactone,bmse000235,1,180.7006,2.42
6076,L_gulonolactone,bmse000235,2,84.0626,11.74
6077,L_gulonolactone,bmse000235,3,76.1965,2.96
6078,L_gulonolactone,bmse000235,4,75.331,3.02
6079,L_gulonolactone,bmse000235,5,74.9955,3.01
6080,L_gulonolactone,bmse000235,6,73.5223,12.5
6081,L_gulonolactone,bmse000235,7,73.1631,3.21
6082,L_gulonolactone,bmse000235,8,72.7983,12.19
6083,L_gulonolactone,bmse000235,9,72.2798,12.42
6084,L_gulonolactone,bmse000235,10,65.2205,2.74
6085,L_gulonolactone,bmse000235,11,64.1843,11.09
6086,glycogen,bmse000232,1,102.5103,8.96
6087,glycogen,bmse000232,2,79.5505,5.53
6088,glycogen,bmse000232,3,75.5834,9.32
6089,glycogen,bmse000232,4,74.2061,12.5
6090,glycogen,bmse000232,5,72.0454,4.53
6091,glycogen,bmse000232,6,63.2055,9.29
6092,melibiose,bmse000233,1,100.9084,5.19
6093,melibiose,bmse000233,2,100.8632,7.98
6094,melibiose,bmse000233,3,98.7735,7.66
6095,melibiose,bmse000233,4,94.8931,4.76
6096,melibiose,bmse000233,5,78.5818,7.97
6097,melibiose,bmse000233,6,77.0484,7.73
6098,melibiose,bmse000233,7,76.7428,7.76
6099,melibiose,bmse000233,8,75.6402,4.58
6100,melibiose,bmse000233,9,74.1149,4.63
6101,melibiose,bmse000233,10,73.6528,8.49
6102,melibiose,bmse000233,11,72.7893,4.29
6103,melibiose,bmse000233,12,72.267,4.52
6104,melibiose,bmse000233,13,72.1674,11.07
6105,melibiose,bmse000233,14,72.1167,8.55
6106,melibiose,bmse000233,15,71.8963,12.5
6107,melibiose,bmse000233,16,71.1803,5.19
6108,melibiose,bmse000233,17,71.1491,7.83
6109,melibiose,bmse000233,18,68.5995,3.44
6110,melibiose,bmse000233,19,68.5046,5.7
6111,melibiose,bmse000233,20,63.7983,7.42
6112,D_glucono_1_5_lactone,bmse000230,1,181.2312,2.98
6113,D_glucono_1_5_lactone,bmse000230,2,76.6877,12.5
6114,D_glucono_1_5_lactone,bmse000230,3,75.204,12.42
6115,D_glucono_1_5_lactone,bmse000230,4,73.8622,12.42
6116,D_glucono_1_5_lactone,bmse000230,5,73.6372,12.42
6117,D_glucono_1_5_lactone,bmse000230,6,65.3046,10.99
6118,N_acetyl_D_glucosamine,bmse000231,1,177.4899,2.8
6119,N_acetyl_D_glucosamine,bmse000231,2,177.2462,4.07
6427,CoA,bmse000271,28,76.9604,4.74
6120,N_acetyl_D_glucosamine,bmse000231,3,97.6343,8.26
6121,N_acetyl_D_glucosamine,bmse000231,4,93.5456,12.5
6122,N_acetyl_D_glucosamine,bmse000231,5,78.6606,9.02
6123,N_acetyl_D_glucosamine,bmse000231,6,76.5921,8.56
6124,N_acetyl_D_glucosamine,bmse000231,7,74.2719,12.4
6125,N_acetyl_D_glucosamine,bmse000231,8,73.3628,12.21
6126,N_acetyl_D_glucosamine,bmse000231,9,72.7507,12.34
6127,N_acetyl_D_glucosamine,bmse000231,10,72.5242,8.84
6128,N_acetyl_D_glucosamine,bmse000231,11,63.4249,7.22
6129,N_acetyl_D_glucosamine,bmse000231,12,63.2564,10.49
6130,N_acetyl_D_glucosamine,bmse000231,13,59.3824,8.25
6131,N_acetyl_D_glucosamine,bmse000231,14,56.8002,11.86
6132,N_acetyl_D_glucosamine,bmse000231,15,24.8865,6.38
6133,N_acetyl_D_glucosamine,bmse000231,16,24.609,9.19
6134,polygalacturonic_acid,bmse000228,1,178.1914,12.5
6135,polygalacturonic_acid,bmse000228,2,101.6522,9.97
6136,polygalacturonic_acid,bmse000228,3,80.5569,9.65
6137,polygalacturonic_acid,bmse000228,4,73.9772,8.45
6138,polygalacturonic_acid,bmse000228,5,71.4996,8.28
6139,polygalacturonic_acid,bmse000228,6,70.7598,8.29
6140,polygalacturonic_acid,bmse000228,7,26.4074,3.65
6141,D_saccharate,bmse000239,1,181.3679,2.13
6142,D_saccharate,bmse000239,2,181.237,1.95
6143,D_saccharate,bmse000239,3,76.4264,11.96
6144,D_saccharate,bmse000239,4,76.4165,12.5
6145,D_saccharate,bmse000239,5,76.2846,9.51
6146,D_saccharate,bmse000239,6,74.3621,9.95
6147,stachyose,bmse000240,1,106.5168,12.21
6148,stachyose,bmse000240,2,101.06,8.92
6149,stachyose,bmse000240,3,100.7169,10.76
6150,stachyose,bmse000240,4,94.8219,8.89
6151,stachyose,bmse000240,5,84.0524,9.16
6152,stachyose,bmse000240,6,78.9976,9.04
6153,stachyose,bmse000240,7,76.6795,9.2
6154,stachyose,bmse000240,8,75.4111,9
6155,stachyose,bmse000240,9,73.9757,8.23
6156,stachyose,bmse000240,10,73.7006,10.47
6157,stachyose,bmse000240,11,73.6476,9.63
6158,stachyose,bmse000240,12,72.1972,12.5
6159,stachyose,bmse000240,13,72.173,10.25
6160,stachyose,bmse000240,14,72.0684,10.06
6161,stachyose,bmse000240,15,72.0362,10.92
6162,stachyose,bmse000240,16,71.9303,12.49
6163,stachyose,bmse000240,17,71.5019,8.73
6164,stachyose,bmse000240,18,71.1393,9.07
6165,stachyose,bmse000240,19,70.9835,10.63
6166,stachyose,bmse000240,20,69.1734,6.48
6167,stachyose,bmse000240,21,68.5201,5.87
6168,stachyose,bmse000240,22,65.1886,8.65
6169,stachyose,bmse000240,23,64.0756,7.23
6170,stachyose,bmse000240,24,63.8499,10.36
6171,L_tartaric_acid,bmse000167,1,181.2992,12.5
6172,D_xylonate_cadmium,bmse000166,1,181.2863,3.14
6173,D_xylonate_cadmium,bmse000166,2,75.334,10.18
6174,D_xylonate_cadmium,bmse000166,3,75.0844,12.5
6175,D_xylonate_cadmium,bmse000166,4,65.059,9.59
6176,N_acetyl_D_glucosamine_1_phosphate,bmse000163,1,177.4252,6.68
6177,N_acetyl_D_glucosamine_1_phosphate,bmse000163,2,95.4941,6.42
6178,N_acetyl_D_glucosamine_1_phosphate,bmse000163,3,95.4396,6.74
6179,N_acetyl_D_glucosamine_1_phosphate,bmse000163,4,74.801,12.35
6180,N_acetyl_D_glucosamine_1_phosphate,bmse000163,5,74.139,11.43
6181,N_acetyl_D_glucosamine_1_phosphate,bmse000163,6,72.7232,12.5
6182,N_acetyl_D_glucosamine_1_phosphate,bmse000163,7,63.4049,10.26
6183,N_acetyl_D_glucosamine_1_phosphate,bmse000163,8,60.1376,1.31
6184,N_acetyl_D_glucosamine_1_phosphate,bmse000163,9,56.8998,5.8
6185,N_acetyl_D_glucosamine_1_phosphate,bmse000163,10,56.8264,6.12
6186,N_acetyl_D_glucosamine_1_phosphate,bmse000163,11,24.8578,11.78
6187,N_acetyl_D_glucosamine_1_phosphate,bmse000163,12,19.5062,1.22
6188,L_ornithine,bmse000162,1,177.052,2.52
6189,L_ornithine,bmse000162,2,56.8032,12.42
6190,L_ornithine,bmse000162,3,41.5581,10.67
6191,L_ornithine,bmse000162,4,30.183,12.5
6192,L_ornithine,bmse000162,5,25.4674,10.78
6193,D_alanine,bmse000236,1,178.5839,1.59
6194,D_alanine,bmse000236,2,53.2011,9.79
6195,D_alanine,bmse000236,3,18.8519,12.5
6196,4_nitrophenol,bmse000223,1,130.0111,12.5
6197,4_nitrophenol,bmse000223,2,129.9947,12.29
6198,4_nitrophenol,bmse000223,3,120.3011,8.51
6199,4_nitrophenol,bmse000223,4,120.2591,10.79
6200,D_L_glyceraldehyde,bmse000225,1,92.4597,11.03
6201,D_L_glyceraldehyde,bmse000225,2,76.7639,11.48
6202,D_L_glyceraldehyde,bmse000225,3,64.6759,12.5
6203,4_hydroxycinnamic_acid,bmse000150,1,178.908,1.38
6204,4_hydroxycinnamic_acid,bmse000150,2,159.818,1.85
6205,4_hydroxycinnamic_acid,bmse000150,3,143.5246,4.55
6206,4_hydroxycinnamic_acid,bmse000150,4,132.2994,11.74
6207,4_hydroxycinnamic_acid,bmse000150,5,130.1932,2.25
6208,4_hydroxycinnamic_acid,bmse000150,6,124.1229,4.91
6209,4_hydroxycinnamic_acid,bmse000150,7,118.5321,12.5
6210,alpha_D_galactose_1_phosphate,bmse000151,1,96.62,5.96
6211,alpha_D_galactose_1_phosphate,bmse000151,2,96.566,5.93
6212,alpha_D_galactose_1_phosphate,bmse000151,3,73.8281,11.4
6213,alpha_D_galactose_1_phosphate,bmse000151,4,72.304,10.42
6428,CoA,bmse000271,29,76.7805,9.52
6214,alpha_D_galactose_1_phosphate,bmse000151,5,72.1558,12.5
6215,alpha_D_galactose_1_phosphate,bmse000151,6,71.7402,5.87
6216,alpha_D_galactose_1_phosphate,bmse000151,7,71.6737,5.84
6217,alpha_D_galactose_1_phosphate,bmse000151,8,64.0705,10.09
6218,dAMP,bmse000250,1,155.0627,3.71
6219,dAMP,bmse000250,2,142.9366,3.42
6220,dAMP,bmse000250,3,90.1821,11.54
6221,dAMP,bmse000250,4,87.3797,7.1
6222,dAMP,bmse000250,5,74.0139,10.26
6223,dAMP,bmse000250,6,64.4148,12.5
6224,dAMP,bmse000250,7,41.7694,7.82
6225,Oxalosuccinate,bmse000251,1,184.1371,2.15
6226,Oxalosuccinate,bmse000251,2,172.7664,1.95
6227,Oxalosuccinate,bmse000251,3,52.8383,1.48
6228,Oxalosuccinate,bmse000251,4,38.5758,5.93
6229,Oxalosuccinate,bmse000251,5,38.454,1.48
6230,Oxalosuccinate,bmse000251,6,38.2644,1.54
6231,Oxalosuccinate,bmse000251,7,38.0683,1.39
6232,Oxalosuccinate,bmse000251,8,36.9355,3.83
6233,Oxalosuccinate,bmse000251,9,35.3007,1.19
6234,Oxalosuccinate,bmse000251,10,34.9692,1.16
6235,Oxalosuccinate,bmse000251,11,33.3147,5.48
6236,Oxalosuccinate,bmse000251,12,33.2611,6.95
6237,Oxalosuccinate,bmse000251,13,33.2048,12.5
6238,Oxalosuccinate,bmse000251,14,25.9719,1.99
6239,Salicylate,bmse000252,1,178.336,1.8
6240,Salicylate,bmse000252,2,162.3095,1.9
6241,Salicylate,bmse000252,3,136.7054,12.5
6242,Salicylate,bmse000252,4,133.2002,11.8
6243,Salicylate,bmse000252,5,122.0978,11.69
6244,Salicylate,bmse000252,6,120.713,2.32
6245,Salicylate,bmse000252,7,119.007,12.31
6246,dADP,bmse000253,1,158.1421,4.9
6247,dADP,bmse000253,2,155.3005,9.18
6248,dADP,bmse000253,3,151.2181,2.23
6249,dADP,bmse000253,4,142.6258,3.6
6250,dADP,bmse000253,5,121.1832,1.88
6251,dADP,bmse000253,6,88.4189,5.03
6252,dADP,bmse000253,7,88.3329,5.02
6253,dADP,bmse000253,8,86.1412,10.03
6254,dADP,bmse000253,9,73.3197,12.5
6255,dADP,bmse000253,10,67.3652,4.1
6256,dADP,bmse000253,11,67.3129,3.98
6257,dADP,bmse000253,12,41.5514,9.81
6258,D_Fructose_1_phosphate,bmse000254,1,100.8301,3.74
6259,D_Fructose_1_phosphate,bmse000254,2,100.7578,3.97
6260,D_Fructose_1_phosphate,bmse000254,3,83.1443,1.21
6261,D_Fructose_1_phosphate,bmse000254,4,78.79,1.8
6262,D_Fructose_1_phosphate,bmse000254,5,76.8304,1.21
6263,D_Fructose_1_phosphate,bmse000254,6,72.0493,12.5
6264,D_Fructose_1_phosphate,bmse000254,7,71.8351,11.69
6265,D_Fructose_1_phosphate,bmse000254,8,70.5098,12.35
6266,D_Fructose_1_phosphate,bmse000254,9,68.9967,5.19
6267,D_Fructose_1_phosphate,bmse000254,10,68.9492,5.25
6268,D_Fructose_1_phosphate,bmse000254,11,66.0887,9.73
6269,D_Fructose_1_phosphate,bmse000254,12,64.969,2.12
6270,D_Fructose_1_phosphate,bmse000254,13,64.1264,1.29
6271,ITP,bmse000255,1,161.4399,4.25
6272,ITP,bmse000255,2,151.5943,2.62
6273,ITP,bmse000255,3,149.0201,9.65
6274,ITP,bmse000255,4,142.5226,5.74
6275,ITP,bmse000255,5,126.3562,2.24
6276,ITP,bmse000255,6,90.276,1.56
6277,ITP,bmse000255,7,89.9312,10.81
6278,ITP,bmse000255,8,86.8306,5.65
6279,ITP,bmse000255,9,86.7415,5.81
6280,ITP,bmse000255,10,77.2254,2.18
6281,ITP,bmse000255,11,77.1273,12.5
6282,ITP,bmse000255,12,72.8596,11.68
6283,ITP,bmse000255,13,72.5243,2.14
6284,ITP,bmse000255,14,67.7479,4.35
6285,ITP,bmse000255,15,67.695,4.23
6286,Formaldehyde,bmse000256,1,84.4358,12.5
6287,FMN,bmse000257,1,163.2526,6.78
6288,FMN,bmse000257,2,160.3175,7.33
6289,FMN,bmse000257,3,153.429,6.6
6290,FMN,bmse000257,4,152.3129,4.11
6291,FMN,bmse000257,5,142.1584,7.18
6292,FMN,bmse000257,6,136.6282,6.86
6293,FMN,bmse000257,7,136.1877,6.82
6294,FMN,bmse000257,8,134.1083,4
6295,FMN,bmse000257,9,132.8224,4.98
6296,FMN,bmse000257,10,119.7064,4.78
6297,FMN,bmse000257,11,75.2209,6.14
6298,FMN,bmse000257,12,74.4868,3.9
6299,FMN,bmse000257,13,74.4237,3.92
6300,FMN,bmse000257,14,72.0087,6.36
6301,FMN,bmse000257,15,67.8012,3.52
6302,FMN,bmse000257,16,50.1474,2.93
6303,FMN,bmse000257,17,23.466,11.62
6304,FMN,bmse000257,18,21.3437,12.5
6305,Glycolaldehyde,bmse000258,1,92.374,9.81
6306,Glycolaldehyde,bmse000258,2,67.1623,12.5
6307,4_Hydroxybenzaldehyde,bmse000259,1,197.0798,3.76
6308,4_Hydroxybenzaldehyde,bmse000259,2,136.1538,9.71
6309,4_Hydroxybenzaldehyde,bmse000259,3,129.545,1.03
6310,4_Hydroxybenzaldehyde,bmse000259,4,119.8609,12.5
6311,Nicotinamide_D_ribonucleotide,bmse000260,1,175.8236,3.35
6312,Nicotinamide_D_ribonucleotide,bmse000260,2,141.0654,10.52
6313,Nicotinamide_D_ribonucleotide,bmse000260,3,127.6138,9.12
6314,Nicotinamide_D_ribonucleotide,bmse000260,4,108.182,10.66
6315,Nicotinamide_D_ribonucleotide,bmse000260,5,103.4044,6.52
6316,Nicotinamide_D_ribonucleotide,bmse000260,6,103.1839,1.61
6317,Nicotinamide_D_ribonucleotide,bmse000260,7,97.6396,11.48
6318,Nicotinamide_D_ribonucleotide,bmse000260,8,85.9422,6.34
6319,Nicotinamide_D_ribonucleotide,bmse000260,9,85.8555,6.04
6320,Nicotinamide_D_ribonucleotide,bmse000260,10,80.4925,1.81
6321,Nicotinamide_D_ribonucleotide,bmse000260,11,74.2063,1.79
6322,Nicotinamide_D_ribonucleotide,bmse000260,12,73.4952,12.5
6323,Nicotinamide_D_ribonucleotide,bmse000260,13,73.3372,12.21
6324,Nicotinamide_D_ribonucleotide,bmse000260,14,66.7617,5.06
6325,Nicotinamide_D_ribonucleotide,bmse000260,15,66.7167,4.78
6326,Nicotinamide_D_ribonucleotide,bmse000260,16,24.6964,9.6
6327,Acetyl_phosphate,bmse000261,1,175.0096,3.44
6328,Acetyl_phosphate,bmse000261,2,25.9801,10.24
6329,Acetyl_phosphate,bmse000261,3,24.7883,12.5
6330,Acetyl_phosphate,bmse000261,4,24.7425,11.1
6331,3_4_Hydroxyphenyl_pyruvate,bmse000262,1,157.3242,1.3
6332,3_4_Hydroxyphenyl_pyruvate,bmse000262,2,133.865,7.91
6333,3_4_Hydroxyphenyl_pyruvate,bmse000262,3,118.3826,12.5
6334,3_4_Hydroxyphenyl_pyruvate,bmse000262,4,117.7478,1.45
6335,NADP,bmse000263,1,167.8496,4.47
6336,NADP,bmse000263,2,158.1147,5.39
6337,NADP,bmse000263,3,155.428,9.01
6338,NADP,bmse000263,4,151.6757,5.76
6339,NADP,bmse000263,5,148.3745,7.75
6340,NADP,bmse000263,6,145.0167,6.29
6341,NADP,bmse000263,7,142.8886,8.29
6342,NADP,bmse000263,8,142.5477,5.92
6343,NADP,bmse000263,9,136.304,8.28
6344,NADP,bmse000263,10,131.3453,8.51
6345,NADP,bmse000263,11,121.1612,3.82
6346,NADP,bmse000263,12,102.729,11.11
6347,NADP,bmse000263,13,89.8221,5.86
6348,NADP,bmse000263,14,89.7336,5.64
6349,NADP,bmse000263,15,89.2538,5.26
6350,NADP,bmse000263,16,89.1719,5.28
6351,NADP,bmse000263,17,85.7472,5.48
6352,NADP,bmse000263,18,85.6577,5.52
6353,NADP,bmse000263,19,80.3221,12.5
6354,NADP,bmse000263,20,78.7636,5.55
6355,NADP,bmse000263,21,78.722,5.71
6356,NADP,bmse000263,22,73.3731,12.23
6357,NADP,bmse000263,23,72.7335,7.06
6358,NADP,bmse000263,24,68.2193,4.11
6359,NADP,bmse000263,25,67.6754,4.43
6360,NADP,bmse000263,26,57.0544,1.98
6361,4_Nitrophenyl_phosphate,bmse000264,1,163.0405,1.08
6362,4_Nitrophenyl_phosphate,bmse000264,2,144.5179,1.04
6363,4_Nitrophenyl_phosphate,bmse000264,3,128.4131,12.5
6364,4_Nitrophenyl_phosphate,bmse000264,4,122.6671,7.06
6365,4_Nitrophenyl_phosphate,bmse000264,5,122.6148,7.04
6366,4_Nitrocatechol,bmse000265,1,164.1278,1.69
6367,4_Nitrocatechol,bmse000265,2,148.5107,2.32
6368,4_Nitrocatechol,bmse000265,3,138.4594,1.3
6369,4_Nitrocatechol,bmse000265,4,122.9045,11.12
6370,4_Nitrocatechol,bmse000265,5,118.6529,12.08
6371,4_Nitrocatechol,bmse000265,6,112.45,12.5
6372,UDP,bmse000266,1,169.0888,5
6373,UDP,bmse000266,2,154.545,3.74
6374,UDP,bmse000266,3,144.5243,8.52
6375,UDP,bmse000266,4,105.234,10.35
6376,UDP,bmse000266,5,91.4445,11.2
6377,UDP,bmse000266,6,85.9024,5.62
6378,UDP,bmse000266,7,85.8136,5.66
6379,UDP,bmse000266,8,76.5959,12.5
6380,UDP,bmse000266,9,71.8259,11.92
6381,UDP,bmse000266,10,66.8315,4.4
6382,UDP,bmse000266,11,66.7792,4.54
6383,Formamide,bmse000267,1,169.4492,12.5
6384,R_Lactate,bmse000269,1,185.265,2.92
6385,R_Lactate,bmse000269,2,71.1978,10.49
6386,R_Lactate,bmse000269,3,22.7641,12.5
6387,GDP,bmse000270,1,161.6068,4.89
6388,GDP,bmse000270,2,156.6326,5.27
6389,GDP,bmse000270,3,154.1538,4.67
6390,GDP,bmse000270,4,140.2801,1.14
6391,GDP,bmse000270,5,140.1096,6.84
6392,GDP,bmse000270,6,118.7579,3.69
6393,GDP,bmse000270,7,89.8065,11.14
6394,GDP,bmse000270,8,86.2198,5.66
6395,GDP,bmse000270,9,86.132,5.77
6396,GDP,bmse000270,10,76.7534,12.5
6397,GDP,bmse000270,11,72.5131,12.28
6398,GDP,bmse000270,12,67.1729,4.45
6399,GDP,bmse000270,13,67.1215,4.26
6400,CoA,bmse000271,1,177.6817,2.7
6401,CoA,bmse000271,2,177.4294,8.2
6402,CoA,bmse000271,3,176.8233,2.08
6403,CoA,bmse000271,4,176.7106,6.6
6404,CoA,bmse000271,5,158.389,5.21
6405,CoA,bmse000271,6,155.6654,8.04
6406,CoA,bmse000271,7,155.5753,5.97
6407,CoA,bmse000271,8,152.1398,5.55
6408,CoA,bmse000271,9,152.0219,2.76
6409,CoA,bmse000271,10,142.9347,4.88
6410,CoA,bmse000271,11,142.6212,6.68
6411,CoA,bmse000271,12,121.3186,3.76
6412,CoA,bmse000271,13,89.3885,6.08
6413,CoA,bmse000271,14,89.1901,9.09
6414,CoA,bmse000271,15,87.3585,1.54
6415,CoA,bmse000271,16,87.3087,1.85
6416,CoA,bmse000271,17,87.2237,1.74
6417,CoA,bmse000271,18,86.8498,2.3
6418,CoA,bmse000271,19,86.7595,2.57
6419,CoA,bmse000271,20,85.3884,1.1
6420,CoA,bmse000271,21,79.6453,1.28
6421,CoA,bmse000271,22,79.1396,1.19
6422,CoA,bmse000271,23,78.2226,1.22
6423,CoA,bmse000271,24,77.5422,4.25
6424,CoA,bmse000271,25,77.2177,3.82
6425,CoA,bmse000271,26,77.1851,3.69
6426,CoA,bmse000271,27,76.9949,5.4
6429,CoA,bmse000271,30,76.4673,4.19
6430,CoA,bmse000271,31,76.4236,8.22
6431,CoA,bmse000271,32,76.3796,5.46
6432,CoA,bmse000271,33,74.5542,4.24
6433,CoA,bmse000271,34,74.4922,3.65
6434,CoA,bmse000271,35,73.328,2.2
6435,CoA,bmse000271,36,73.2765,1.86
6436,CoA,bmse000271,37,68.4744,3.83
6437,CoA,bmse000271,38,68.4222,3.88
6438,CoA,bmse000271,39,66.6691,2.47
6439,CoA,bmse000271,40,66.6238,2.86
6440,CoA,bmse000271,41,45.0428,4.93
6441,CoA,bmse000271,42,44.9976,11.76
6442,CoA,bmse000271,43,44.9048,1.18
6443,CoA,bmse000271,44,41.1259,2.81
6444,CoA,bmse000271,45,41.0359,6.14
6445,CoA,bmse000271,46,40.9558,6.01
6446,CoA,bmse000271,47,40.7593,1.76
6447,CoA,bmse000271,48,39.1263,1.74
6448,CoA,bmse000271,49,38.2973,1.72
6449,CoA,bmse000271,50,38.1621,9.87
6450,CoA,bmse000271,51,38.0817,9.25
6451,CoA,bmse000271,52,25.7997,12.5
6452,CoA,bmse000271,53,24.0869,1.45
6453,CoA,bmse000271,54,23.9984,3.96
6454,CoA,bmse000271,55,23.5128,8.93
6455,CoA,bmse000271,56,22.6789,1.36
6456,CoA,bmse000271,57,20.9419,3.81
6457,CoA,bmse000271,58,20.7819,9.63
6458,CoA,bmse000271,59,20.1012,1.78
6459,CDP,bmse000272,1,168.8761,4.9
6460,CDP,bmse000272,2,160.4002,4.39
6461,CDP,bmse000272,3,144.5698,1.09
6462,CDP,bmse000272,4,144.266,8.55
6463,CDP,bmse000272,5,99.3648,1.46
6464,CDP,bmse000272,6,99.2242,9.38
6465,CDP,bmse000272,7,92.2295,11.24
6466,CDP,bmse000272,8,91.8456,1.72
6467,CDP,bmse000272,9,85.3396,5.74
6468,CDP,bmse000272,10,85.2502,5.69
6469,CDP,bmse000272,11,77.0076,12.5
6470,CDP,bmse000272,12,72.3706,1.47
6471,CDP,bmse000272,13,71.4858,12.07
6472,CDP,bmse000272,14,66.6366,4.51
6473,CDP,bmse000272,15,66.5841,4.41
6474,D_Aspartate,bmse000273,1,180.3052,2.2
6475,D_Aspartate,bmse000273,2,177.0122,1.98
6476,D_Aspartate,bmse000273,3,54.9072,9.91
6477,D_Aspartate,bmse000273,4,39.2644,12.5
6478,Thiamin,bmse000274,1,171.726,5.58
6479,Thiamin,bmse000274,2,164.5163,3.11
6480,Thiamin,bmse000274,3,159.8969,10.99
6481,Thiamin,bmse000274,4,145.552,3.59
6482,Thiamin,bmse000274,5,138.7379,4.97
6483,Thiamin,bmse000274,6,107.1899,6.29
6484,Thiamin,bmse000274,7,63.1255,12.5
6485,Thiamin,bmse000274,8,53.7574,10.69
6486,Thiamin,bmse000274,9,31.9248,12.41
6487,Thiamin,bmse000274,10,26.7632,11.25
6488,Thiamin,bmse000274,11,13.8517,12.02
6489,D_Fructose_2_6_bisphosphate,bmse000275,1,106.8714,4.79
6490,D_Fructose_2_6_bisphosphate,bmse000275,2,106.8017,4.74
6491,D_Fructose_2_6_bisphosphate,bmse000275,3,82.9825,6.41
6492,D_Fructose_2_6_bisphosphate,bmse000275,4,82.912,6.28
6493,D_Fructose_2_6_bisphosphate,bmse000275,5,80.0513,6.58
6494,D_Fructose_2_6_bisphosphate,bmse000275,6,80.0052,6.39
6495,D_Fructose_2_6_bisphosphate,bmse000275,7,78.0543,12.5
6496,D_Fructose_2_6_bisphosphate,bmse000275,8,68.3553,5.53
6497,D_Fructose_2_6_bisphosphate,bmse000275,9,68.3079,5.71
6498,D_Fructose_2_6_bisphosphate,bmse000275,10,65.2002,7.1
6499,D_Fructose_2_6_bisphosphate,bmse000275,11,60.1397,1.11
6500,D_Fructose_2_6_bisphosphate,bmse000275,12,19.51,1.19
6501,Ethanolamine,bmse000276,1,60.3171,12.5
6502,Ethanolamine,bmse000276,2,43.9507,8.05
6503,CTP,bmse000277,1,168.8983,5.15
6504,CTP,bmse000277,2,160.5208,4.42
6505,CTP,bmse000277,3,144.2311,8.6
6506,CTP,bmse000277,4,99.3524,9.52
6507,CTP,bmse000277,5,91.8085,11.04
6508,CTP,bmse000277,6,85.501,5.68
6509,CTP,bmse000277,7,85.4107,5.57
6510,CTP,bmse000277,8,77.0203,1.35
6511,CTP,bmse000277,9,76.8989,12.5
6512,CTP,bmse000277,10,71.7933,11.89
6513,CTP,bmse000277,11,71.4631,1.06
6514,CTP,bmse000277,12,67.272,4.2
6515,CTP,bmse000277,13,67.2177,4.39
6516,D_Ribulose_5_phosphate,bmse000278,1,103.8241,7.82
6517,D_Ribulose_5_phosphate,bmse000278,2,98.9771,2.24
6518,D_Ribulose_5_phosphate,bmse000278,3,85.3023,1.6
6519,D_Ribulose_5_phosphate,bmse000278,4,84.6704,3.81
6520,D_Ribulose_5_phosphate,bmse000278,5,84.5875,4.13
6521,D_Ribulose_5_phosphate,bmse000278,6,78.03,9.99
6522,D_Ribulose_5_phosphate,bmse000278,7,73.4112,12.5
6523,D_Ribulose_5_phosphate,bmse000278,8,72.931,3.83
6524,D_Ribulose_5_phosphate,bmse000278,9,67.3547,5.39
6525,D_Ribulose_5_phosphate,bmse000278,10,67.3093,5.5
6526,D_Ribulose_5_phosphate,bmse000278,11,66.4813,2.3
6527,Urocanate,bmse000279,1,178.6198,2.5
6528,Urocanate,bmse000279,2,140.3626,11.29
6529,Urocanate,bmse000279,3,137.0776,2.14
6530,Urocanate,bmse000279,4,133.668,10.36
6531,Urocanate,bmse000279,5,124.4849,12.5
6532,Urocanate,bmse000279,6,123.9802,8.38
6533,UMP,bmse000280,1,169.0839,4.57
6534,UMP,bmse000280,2,154.6578,3.41
6535,UMP,bmse000280,3,144.8275,8.54
6536,UMP,bmse000280,4,105.3924,10.43
6537,UMP,bmse000280,5,91.006,11.31
6538,UMP,bmse000280,6,86.9204,5.97
6539,UMP,bmse000280,7,86.8326,6.05
6540,UMP,bmse000280,8,76.6643,12.5
6541,UMP,bmse000280,9,72.7729,12.16
6542,UMP,bmse000280,10,65.9126,4.79
6543,UMP,bmse000280,11,65.8681,4.9
6544,Nicotinamide,bmse000281,1,154.5266,12.5
6545,Nicotinamide,bmse000281,2,150.344,11.49
6546,Nicotinamide,bmse000281,3,139.1539,11.48
6547,Nicotinamide,bmse000281,4,131.9398,1.76
6548,Nicotinamide,bmse000281,5,126.9235,10.76
6549,DL_Alanine,bmse000282,1,178.5738,1.77
6550,DL_Alanine,bmse000282,2,53.2017,9.6
6551,DL_Alanine,bmse000282,3,18.85,12.5
6552,Orotate,bmse000283,1,104.064,12.5
6553,Benzonitrile,bmse000284,1,136.2019,8.6
6554,Benzonitrile,bmse000284,2,135.1116,12.5
6555,Benzonitrile,bmse000284,3,131.8912,12.48
6556,Choline,bmse000285,1,70.1479,3.39
6557,Choline,bmse000285,2,70.1177,3.59
6558,Choline,bmse000285,3,70.0875,3.34
6559,Choline,bmse000285,4,58.3089,8.06
6560,Choline,bmse000285,5,56.621,11.8
6561,Choline,bmse000285,6,56.5813,12.5
6562,Choline,bmse000285,7,56.542,12.01
6563,Acetophenone,bmse000286,1,136.8469,7.17
6564,Acetophenone,bmse000286,2,131.5104,12.5
6565,Acetophenone,bmse000286,3,131.2516,11.84
6566,Acetophenone,bmse000286,4,28.9711,3.47
6567,Pantothenate,bmse000287,1,183.0208,3.24
6568,Pantothenate,bmse000287,2,177.6531,4.02
6569,Pantothenate,bmse000287,3,78.4586,12.5
6570,Pantothenate,bmse000287,4,71.0985,10.81
6571,Pantothenate,bmse000287,5,41.2778,8.26
6572,Pantothenate,bmse000287,6,39.3779,10.45
6573,Pantothenate,bmse000287,7,38.8533,9.94
6574,Pantothenate,bmse000287,8,23.2349,9.96
6575,Pantothenate,bmse000287,9,21.8424,10.1
6576,Pyridoxine,bmse000288,1,163.4259,2.28
6577,Pyridoxine,bmse000288,2,146.9983,3.52
6578,Pyridoxine,bmse000288,3,141.4468,3.78
6579,Pyridoxine,bmse000288,4,138.1842,4.52
6580,Pyridoxine,bmse000288,5,127.4073,3.84
6581,Pyridoxine,bmse000288,6,61.4656,12.5
6582,Pyridoxine,bmse000288,7,58.6687,10.33
6583,Pyridoxine,bmse000288,8,18.2013,8.23
6584,S_Adenosyl_L_homocysteine,bmse000289,1,176.8876,4.61
6585,S_Adenosyl_L_homocysteine,bmse000289,2,158.3878,3.44
6586,S_Adenosyl_L_homocysteine,bmse000289,3,155.6615,9.39
6587,S_Adenosyl_L_homocysteine,bmse000289,4,151.6956,3.2
6588,S_Adenosyl_L_homocysteine,bmse000289,5,142.814,7.91
6589,S_Adenosyl_L_homocysteine,bmse000289,6,121.5644,2.04
6590,S_Adenosyl_L_homocysteine,bmse000289,7,90.125,10.63
6591,S_Adenosyl_L_homocysteine,bmse000289,8,90.0104,2.04
6592,S_Adenosyl_L_homocysteine,bmse000289,9,86.1029,11.9
6593,S_Adenosyl_L_homocysteine,bmse000289,10,75.9715,11.38
6594,S_Adenosyl_L_homocysteine,bmse000289,11,75.0004,12.5
6595,S_Adenosyl_L_homocysteine,bmse000289,12,56.4364,10.43
6596,S_Adenosyl_L_homocysteine,bmse000289,13,36.2065,8.4
6597,S_Adenosyl_L_homocysteine,bmse000289,14,33.1203,8.91
6598,S_Adenosyl_L_homocysteine,bmse000289,15,30.4627,9.14
6599,Phenol,bmse000290,1,132.703,11.87
6600,Phenol,bmse000290,2,123.3534,6.56
6601,Phenol,bmse000290,3,118.0886,12.5
6602,Selenomethionine,bmse000291,1,176.8764,2.7
6603,Selenomethionine,bmse000291,2,57.3265,11.71
6604,Selenomethionine,bmse000291,3,33.5106,11.73
6605,Selenomethionine,bmse000291,4,21.8408,12.5
6606,Selenomethionine,bmse000291,5,5.875,6.96
6607,UDPglucuronate,bmse000292,1,179.1513,4.63
6608,UDPglucuronate,bmse000292,2,169.0242,5.14
6609,UDPglucuronate,bmse000292,3,154.6097,3.93
6610,UDPglucuronate,bmse000292,4,144.2873,8.42
6611,UDPglucuronate,bmse000292,5,105.4108,10.1
6612,UDPglucuronate,bmse000292,6,98.1166,5.83
6613,UDPglucuronate,bmse000292,7,98.0506,5.78
6614,UDPglucuronate,bmse000292,8,91.0126,10.69
6615,UDPglucuronate,bmse000292,9,86.0368,5.52
6616,UDPglucuronate,bmse000292,10,85.9455,5.68
6617,UDPglucuronate,bmse000292,11,76.498,12.5
6618,UDPglucuronate,bmse000292,12,75.7603,10.99
6619,UDPglucuronate,bmse000292,13,75.2986,10.18
6620,UDPglucuronate,bmse000292,14,74.5675,11.19
6621,UDPglucuronate,bmse000292,15,74.1227,5.66
6622,UDPglucuronate,bmse000292,16,74.0395,5.54
6623,UDPglucuronate,bmse000292,17,72.367,11.96
6624,UDPglucuronate,bmse000292,18,67.7081,4.35
6625,UDPglucuronate,bmse000292,19,67.6532,4.54
6626,UDPglucuronate,bmse000292,20,60.142,1.01
6627,UDPglucuronate,bmse000292,21,19.5053,1.3
6628,Hydroquinone,bmse000293,1,151.6552,1.09
6629,Hydroquinone,bmse000293,2,119.0705,12.5
6630,Methanol,bmse000294,1,51.571,12.5
6631,Methanol,bmse000294,2,8.3835,1.29
6632,UTP,bmse000295,1,169.0527,4.84
6633,UTP,bmse000295,2,154.6305,3.56
6634,UTP,bmse000295,3,144.4685,8.62
6635,UTP,bmse000295,4,105.3558,9.9
6636,UTP,bmse000295,5,90.9803,10.91
6637,UTP,bmse000295,6,86.0794,5.45
6638,UTP,bmse000295,7,85.9897,5.66
6639,UTP,bmse000295,8,76.4645,12.5
6640,UTP,bmse000295,9,72.1667,11.59
6641,UTP,bmse000295,10,67.5196,4.26
6642,UTP,bmse000295,11,67.4644,4.32
6643,UTP,bmse000295,12,60.1427,1.1
6644,dTMP,bmse000296,1,169.2356,1.23
6645,dTMP,bmse000296,2,160.5265,1.29
6646,dTMP,bmse000296,3,154.4333,1.31
6647,dTMP,bmse000296,4,140.1216,3.35
6648,dTMP,bmse000296,5,114.2982,2.37
6649,dTMP,bmse000296,6,88.3382,2.04
6650,dTMP,bmse000296,7,88.2519,1.87
6651,dTMP,bmse000296,8,87.8416,3.66
6652,dTMP,bmse000296,9,73.7576,4.03
6653,dTMP,bmse000296,10,69.7071,3.43
6654,dTMP,bmse000296,11,69.6331,3.39
6655,dTMP,bmse000296,12,68.674,6.88
6656,dTMP,bmse000296,13,67.0077,1.54
6657,dTMP,bmse000296,14,66.9519,1.6
6658,dTMP,bmse000296,15,57.1741,5.62
6659,dTMP,bmse000296,16,50.7174,6.42
6660,dTMP,bmse000296,17,47.4494,6.5
6661,dTMP,bmse000296,18,41.3959,3.4
6662,dTMP,bmse000296,19,35.6124,12.5
6663,dTMP,bmse000296,20,27.378,11.97
6664,dTMP,bmse000296,21,27.3297,7.39
6665,dTMP,bmse000296,22,14.3887,4.03
6666,Ethanol,bmse000297,1,60.1347,10.57
6667,Ethanol,bmse000297,2,19.4922,12.5
6668,D_Glyceraldehyde,bmse000298,1,92.4619,11.47
6669,D_Glyceraldehyde,bmse000298,2,76.7643,11.97
6670,D_Glyceraldehyde,bmse000298,3,67.5383,2.02
6671,D_Glyceraldehyde,bmse000298,4,64.6757,12.5
6672,Folate,bmse000299,1,185.1947,10.02
6673,Folate,bmse000299,2,182.1813,8.33
6674,Folate,bmse000299,3,171.6618,6.23
6675,Folate,bmse000299,4,167.4706,1.1
6676,Folate,bmse000299,5,156.8561,3.58
6677,Folate,bmse000299,6,154.9662,1.2
6678,Folate,bmse000299,7,152.4534,5.63
6679,Folate,bmse000299,8,150.9644,2.57
6680,Folate,bmse000299,9,150.4027,4.37
6681,Folate,bmse000299,10,131.6987,1.03
6682,Folate,bmse000299,11,131.3015,7.38
6683,Folate,bmse000299,12,129.0129,4.84
6684,Folate,bmse000299,13,123.0856,5.17
6685,Folate,bmse000299,14,113.9108,6.41
6686,Folate,bmse000299,15,58.6333,8.76
6687,Folate,bmse000299,16,47.4239,2.98
6688,Folate,bmse000299,17,37.0651,12.5
6689,Folate,bmse000299,18,31.1742,7.87
6690,Benzoate,bmse000300,1,138.9121,1.04
6691,Benzoate,bmse000300,2,133.9731,7.03
6692,Benzoate,bmse000300,3,131.4957,12.46
6693,Benzoate,bmse000300,4,131.0181,12.5
6694,1_3_diaminopropane,bmse000001,1,39.3182,12.5
6695,1_3_diaminopropane,bmse000001,2,27.6038,6.62
6696,2_3_diphospho_D_glyceric_acid,bmse000002,1,180.6244,6.14
6697,2_3_diphospho_D_glyceric_acid,bmse000002,2,77.8926,9.81
6698,2_3_diphospho_D_glyceric_acid,bmse000002,3,77.8397,8.95
6699,2_3_diphospho_D_glyceric_acid,bmse000002,4,77.8017,8.58
6700,2_3_diphospho_D_glyceric_acid,bmse000002,5,77.7593,8.04
6701,2_3_diphospho_D_glyceric_acid,bmse000002,6,69.2089,12.5
6702,2_deoxyguanosine,bmse000003,1,140.4376,7.32
6703,2_deoxyguanosine,bmse000003,2,89.8652,7.61
6704,2_deoxyguanosine,bmse000003,3,86.6745,9.57
6705,2_deoxyguanosine,bmse000003,4,73.9059,12.5
6706,2_deoxyguanosine,bmse000003,5,64.3305,8.45
6707,2_deoxyguanosine,bmse000003,6,41.3976,8.86
6708,adenine,bmse000060,1,153.1875,0.8
6709,adenine,bmse000060,2,151.829,1.02
6710,adenine,bmse000060,3,147.5748,11.47
6711,adenine,bmse000060,4,146.3944,12.5
6712,adenine,bmse000060,5,118.324,0.66
6713,adenosine,bmse000061,1,155.2065,8.59
6714,adenosine,bmse000061,2,151.091,3.13
6715,adenosine,bmse000061,3,143.2708,6.58
6716,adenosine,bmse000061,4,91.0332,10.74
6717,adenosine,bmse000061,5,88.5401,11.36
6718,adenosine,bmse000061,6,76.3929,12.5
6719,adenosine,bmse000061,7,73.3525,11.01
6720,adenosine,bmse000061,8,64.2162,10.03
6721,adenosine,bmse000061,9,133.0864,1.07
6722,adonitol,bmse000062,1,74.8925,6.76
6723,adonitol,bmse000062,2,74.8008,11.44
6724,adonitol,bmse000062,3,65.0705,12.5
6725,ADP,bmse000004,1,158.1533,6.68
6726,ADP,bmse000004,2,155.4207,12.01
6727,ADP,bmse000004,3,151.6456,1.97
6728,ADP,bmse000004,4,151.5495,1.81
6729,ADP,bmse000004,5,142.8127,2.95
6730,ADP,bmse000004,6,142.5832,3.64
6731,ADP,bmse000004,7,121.1747,1.72
6732,ADP,bmse000004,8,89.778,10.17
6733,ADP,bmse000004,9,89.5551,6.01
6734,ADP,bmse000004,10,87.4621,3.15
6735,ADP,bmse000004,11,87.3746,3.43
6736,ADP,bmse000004,12,86.4858,4.81
6737,ADP,bmse000004,13,86.3979,5.28
6738,ADP,bmse000004,14,77.2288,6.53
6739,ADP,bmse000004,15,77.0622,12.5
6740,ADP,bmse000004,16,73.4056,6.43
6741,ADP,bmse000004,17,72.6057,12.04
6742,ADP,bmse000004,18,67.1794,3.82
6743,ADP,bmse000004,19,67.1297,3.91
6744,ADP,bmse000004,20,66.2518,2.61
6745,ADP,bmse000004,21,66.2091,2.71
6746,agmatine,bmse000063,1,159.5178,1.15
6747,agmatine,bmse000063,2,43.1542,9.26
6748,agmatine,bmse000063,3,41.7324,8.53
6749,agmatine,bmse000063,4,27.7024,11.07
6750,agmatine,bmse000063,5,26.715,12.5
6751,D_allose,bmse000008,1,96.1036,10.7
6752,D_allose,bmse000008,2,95.5286,1.55
6753,D_allose,bmse000008,3,76.2932,11.82
6754,D_allose,bmse000008,4,74.3841,1.58
6755,D_allose,bmse000008,5,73.9304,11.03
6756,D_allose,bmse000008,6,73.8513,12.02
6757,D_allose,bmse000008,7,69.7109,1.21
6758,D_allose,bmse000008,8,69.5516,1.22
6759,D_allose,bmse000008,9,69.4757,12.5
6760,D_allose,bmse000008,10,68.7507,2.03
6761,D_allose,bmse000008,11,63.8517,10.79
6762,D_allose,bmse000008,12,63.3663,1.24
6763,D_fructose,bmse000010,1,100.7878,2.8
6764,D_fructose,bmse000010,2,83.3844,4
6765,D_fructose,bmse000010,3,78.7409,1.35
6766,D_fructose,bmse000010,4,78.0833,3.23
6767,D_fructose,bmse000010,5,77.1431,3.97
6768,D_fructose,bmse000010,6,72.3808,12.5
6769,D_fructose,bmse000010,7,71.9017,10.92
6770,D_fructose,bmse000010,8,70.2559,10.72
6771,D_fructose,bmse000010,9,66.587,11.06
6772,D_fructose,bmse000010,10,66.0735,12.1
6773,D_fructose,bmse000010,11,65.3682,3.85
6774,D_fructose,bmse000010,12,65.074,4.07
6775,D_galactose,bmse000013,1,99.1714,10.5
6776,D_galactose,bmse000013,2,94.9986,5.59
6777,D_galactose,bmse000013,3,77.8681,12.5
6778,D_galactose,bmse000013,4,75.5121,11.36
6779,D_galactose,bmse000013,5,74.5893,11.5
6780,D_galactose,bmse000013,6,73.1956,6.08
6781,D_galactose,bmse000013,7,72.0185,5.93
6782,D_galactose,bmse000013,8,71.879,5.94
6783,D_galactose,bmse000013,9,71.4595,12.5
6784,D_galactose,bmse000013,10,71.0589,5.22
6785,D_galactose,bmse000013,11,63.8951,5.64
6786,D_galactose,bmse000013,12,63.6909,11.96
6787,D_glucose,bmse000015,1,98.6177,12.18
6788,D_glucose,bmse000015,2,94.8017,7.46
6789,D_glucose,bmse000015,3,78.6602,12.5
6790,D_glucose,bmse000015,4,78.46,12.38
6791,D_glucose,bmse000015,5,76.8429,11.94
6792,D_glucose,bmse000015,6,75.4621,6.95
6793,D_glucose,bmse000015,7,74.1868,7.96
6794,D_glucose,bmse000015,8,74.1521,7.85
6795,D_glucose,bmse000015,9,72.3476,7.59
6796,D_glucose,bmse000015,10,72.3041,12.25
6797,D_glucose,bmse000015,11,63.4496,11.55
6798,D_glucose,bmse000015,12,63.2877,6.43
6799,D_mannose,bmse000018,1,96.747,10.66
6800,D_mannose,bmse000018,2,96.3827,5.27
6801,D_mannose,bmse000018,3,78.8753,4.9
6802,D_mannose,bmse000018,4,75.7486,5.48
6803,D_mannose,bmse000018,5,75.1093,11.15
6804,D_mannose,bmse000018,6,73.9252,5.51
6805,D_mannose,bmse000018,7,73.3921,10.59
6806,D_mannose,bmse000018,8,72.9329,10.68
6807,D_mannose,bmse000018,9,69.5495,10.82
6808,D_mannose,bmse000018,10,69.3058,5.88
6809,D_mannose,bmse000018,11,63.666,12.5
6810,D_psicose,bmse000020,1,105.9793,2.62
6811,D_psicose,bmse000020,2,101.1482,2.31
6812,D_psicose,bmse000020,3,85.4184,12.5
6813,D_psicose,bmse000020,4,77.3405,2.67
6814,D_psicose,bmse000020,5,74.437,5.54
6815,D_psicose,bmse000020,6,73.7152,3.61
6816,D_psicose,bmse000020,7,73.0555,10.59
6817,D_psicose,bmse000020,8,73.0326,11.16
6818,D_psicose,bmse000020,9,72.9119,5.49
6819,D_psicose,bmse000020,10,71.7174,6.08
6820,D_psicose,bmse000020,11,68.562,7.08
6821,D_psicose,bmse000020,12,68.1859,7.9
6822,D_psicose,bmse000020,13,67.7838,6.98
6823,D_psicose,bmse000020,14,66.8844,6.45
6824,D_psicose,bmse000020,15,66.6778,4.36
6825,D_psicose,bmse000020,16,65.9583,9.93
6826,D_psicose,bmse000020,17,65.7568,6.2
6827,D_psicose,bmse000020,18,65.5148,3.26
6828,D_psicose,bmse000020,19,65.0727,3.8
6829,D_psicose,bmse000020,20,64.029,7.13
6830,D_psicose,bmse000020,21,60.6736,5.34
6831,D_sorbose,bmse000022,1,100.4423,2.8
6832,D_sorbose,bmse000022,2,76.5308,8.63
6833,D_sorbose,bmse000022,3,73.0506,8.72
6834,D_sorbose,bmse000022,4,72.1197,12.5
6835,D_sorbose,bmse000022,5,66.1492,9.88
6836,D_sorbose,bmse000022,6,64.4696,11
6837,D_tagatose,bmse000023,1,100.9098,3.49
6838,D_tagatose,bmse000023,2,73.6229,12.5
6839,D_tagatose,bmse000023,3,72.484,10.38
6840,D_tagatose,bmse000023,4,71.9743,2.2
6841,D_tagatose,bmse000023,5,69.0595,10.53
6842,D_tagatose,bmse000023,6,66.5918,10.06
6843,D_tagatose,bmse000023,7,66.403,1.92
6844,D_tagatose,bmse000023,8,66.1917,1.73
6845,D_tagatose,bmse000023,9,64.9495,7.98
6846,D_tagatose,bmse000023,10,62.8345,1.69
6847,D_xylose,bmse000026,1,99.3304,11.78
6848,D_xylose,bmse000026,2,94.9405,6.48
6849,D_xylose,bmse000026,3,78.526,10.11
6850,D_xylose,bmse000026,4,76.7418,12.5
6851,D_xylose,bmse000026,5,75.5229,5.77
6852,D_xylose,bmse000026,6,74.1661,6.42
6853,D_xylose,bmse000026,7,72.1118,6.54
6854,D_xylose,bmse000026,8,71.9378,12.28
6855,D_xylose,bmse000026,9,67.899,10.25
6856,D_xylose,bmse000026,10,63.6456,5.21
6857,alpha_ketoglutaric_acid,bmse000064,1,184.1528,2.07
6858,alpha_ketoglutaric_acid,bmse000064,2,38.5723,12.5
6859,alpha_ketoglutaric_acid,bmse000064,3,33.3219,9.83
6860,alpha_lactose,bmse000065,1,105.6382,8.25
6861,alpha_lactose,bmse000065,2,98.4725,7.33
6862,alpha_lactose,bmse000065,3,94.539,4.05
6863,alpha_lactose,bmse000065,4,81.1636,3.89
6864,alpha_lactose,bmse000065,5,81.0377,6.84
6865,alpha_lactose,bmse000065,6,78.0734,12.5
6866,alpha_lactose,bmse000065,7,77.522,7.34
6867,alpha_lactose,bmse000065,8,77.0808,7.32
6868,alpha_lactose,bmse000065,9,76.5296,7.28
6869,alpha_lactose,bmse000065,10,75.2407,11.24
6870,alpha_lactose,bmse000065,11,74.1286,4.28
6871,alpha_lactose,bmse000065,12,73.8715,4.75
6872,alpha_lactose,bmse000065,13,73.6835,9.31
6873,alpha_lactose,bmse000065,14,72.8271,3.84
6874,alpha_lactose,bmse000065,15,71.272,8.2
6875,alpha_lactose,bmse000065,16,63.7524,7.27
6876,alpha_lactose,bmse000065,17,62.8108,4.95
6877,alpha_lactose,bmse000065,18,62.6765,3.11
6878,4_aminobenzoic_acid,bmse000066,1,133.5667,12.5
6879,4_aminobenzoic_acid,bmse000066,2,128.9442,1.1
6880,4_aminobenzoic_acid,bmse000066,3,117.8119,11.36
6881,AMP,bmse000005,1,158.1415,3.52
6882,AMP,bmse000005,2,155.4083,9.41
6883,AMP,bmse000005,3,151.6344,4.45
6884,AMP,bmse000005,4,142.8031,7.78
6885,AMP,bmse000005,5,121.1486,2.72
6886,AMP,bmse000005,6,89.5563,11.53
6887,AMP,bmse000005,7,87.4594,6.04
6888,AMP,bmse000005,8,87.3722,6.06
6889,AMP,bmse000005,9,77.2299,12.5
6890,AMP,bmse000005,10,73.4036,12.24
6891,AMP,bmse000005,11,66.25,4.83
6892,AMP,bmse000005,12,66.2055,5.13
6893,anthranilic_acid,bmse000067,1,150.2702,2.1
6894,anthranilic_acid,bmse000067,2,134.7227,10.28
6895,anthranilic_acid,bmse000067,3,133.6538,12.5
6896,anthranilic_acid,bmse000067,4,123.4956,1.99
6897,anthranilic_acid,bmse000067,5,120.6937,11.1
6898,anthranilic_acid,bmse000067,6,120.3926,11.42
6899,L_arabitol,bmse000068,1,73.609,12.5
6900,L_arabitol,bmse000068,2,73.1399,11.93
6901,L_arabitol,bmse000068,3,72.9514,12.49
6902,L_arabitol,bmse000068,4,65.7296,10.81
6903,L_arabitol,bmse000068,5,65.6383,9.86
6904,ATP,bmse000006,1,158.2621,4.05
6905,ATP,bmse000006,2,155.4997,9.32
6906,ATP,bmse000006,3,151.7848,3.62
6907,ATP,bmse000006,4,142.6155,7.12
6908,ATP,bmse000006,5,121.2616,2.51
6909,ATP,bmse000006,6,89.3634,10.94
6910,ATP,bmse000006,7,86.7432,5.75
6911,ATP,bmse000006,8,86.6543,5.65
6912,ATP,bmse000006,9,76.9481,12.5
6913,ATP,bmse000006,10,72.9427,11.75
6914,ATP,bmse000006,11,67.8017,4.32
6915,ATP,bmse000006,12,67.7473,4.42
6916,betaine,bmse000069,1,171.9654,1.21
6917,betaine,bmse000069,2,68.893,3.07
6918,betaine,bmse000069,3,68.8587,3.29
6919,betaine,bmse000069,4,68.8297,3.27
6920,betaine,bmse000069,5,56.0898,10.14
6921,betaine,bmse000069,6,56.0509,12.5
6922,betaine,bmse000069,7,56.0118,10.21
6923,betaine_aldehyde,bmse000070,1,87.5694,9.74
6924,betaine_aldehyde,bmse000070,2,56.9587,10.45
6925,betaine_aldehyde,bmse000070,3,56.9195,12.5
6926,betaine_aldehyde,bmse000070,4,56.8886,11.17
6927,cadaverine,bmse000072,1,41.871,11.66
6928,cadaverine,bmse000072,2,28.9617,12.5
6929,cadaverine,bmse000072,3,25.3762,5.64
6930,cAMP,bmse000071,1,158.0318,4.3
6931,cAMP,bmse000071,2,155.524,10.63
6932,cAMP,bmse000071,3,150.7719,4.62
6933,cAMP,bmse000071,4,142.3466,9.68
6934,cAMP,bmse000071,5,121.2041,3.29
6935,cAMP,bmse000071,6,94.2109,12.5
6936,cAMP,bmse000071,7,80.0206,6.2
6937,cAMP,bmse000071,8,79.9754,6.98
6938,cAMP,bmse000071,9,75.0214,7.05
6939,cAMP,bmse000071,10,74.9418,7.25
6940,cAMP,bmse000071,11,74.463,6.46
6941,cAMP,bmse000071,12,70.0836,5.58
6942,cAMP,bmse000071,13,70.0142,5.05
6943,L_canavanine,bmse000073,1,177.0117,3.9
6944,L_canavanine,bmse000073,2,161.2671,2
6945,L_canavanine,bmse000073,3,74.5403,11.99
6946,L_canavanine,bmse000073,4,55.2855,12.02
6947,L_canavanine,bmse000073,5,31.809,12.5
6948,D_carnitine,bmse000074,1,180.7779,2.25
6949,D_carnitine,bmse000074,2,72.8193,4.47
6950,D_carnitine,bmse000074,3,72.7942,3.83
6951,D_carnitine,bmse000074,4,66.791,9.37
6952,D_carnitine,bmse000074,5,56.8328,10.48
6953,D_carnitine,bmse000074,6,56.7941,12.5
6954,D_carnitine,bmse000074,7,56.7554,10.44
6955,D_carnitine,bmse000074,8,45.6802,6.79
6956,chorismic_acid,bmse000075,1,155.9825,4.51
6957,chorismic_acid,bmse000075,2,137.1007,3.63
6958,chorismic_acid,bmse000075,3,132.6303,11.7
6959,chorismic_acid,bmse000075,4,131.7674,9.54
6960,chorismic_acid,bmse000075,5,126.7891,9.9
6961,chorismic_acid,bmse000075,6,95.5643,8.84
6962,chorismic_acid,bmse000075,7,82.3153,12.5
6963,chorismic_acid,bmse000075,8,72.8256,12.45
6964,citrate,bmse000076,1,184.7215,1.13
6965,citrate,bmse000076,2,182.0353,2.11
6966,citrate,bmse000076,3,77.9249,1.44
6967,citrate,bmse000076,4,48.4023,12.5
6968,coumarin,bmse000077,1,163.4646,0.72
6969,coumarin,bmse000077,2,156.7265,1.12
6970,coumarin,bmse000077,3,146.1206,6.54
6971,coumarin,bmse000077,4,134.5133,12.5
6972,coumarin,bmse000077,5,130.5441,8.87
6973,coumarin,bmse000077,6,127.1083,11.93
6974,coumarin,bmse000077,7,121.5098,1.08
6975,coumarin,bmse000077,8,119.5804,6.82
6976,coumarin,bmse000077,9,119.3784,7.14
6977,creatine,bmse000078,1,177.3494,1.87
6978,creatine,bmse000078,2,56.549,12.5
6979,creatine,bmse000078,3,39.6249,7.16
6980,creatine_phosphate,bmse000079,1,177.5977,1.69
6981,creatine_phosphate,bmse000079,2,56.5658,12.5
6982,creatine_phosphate,bmse000079,3,39.5149,7.02
6983,dehydro_proline,bmse000080,1,174.9837,1.15
6984,dehydro_proline,bmse000080,2,128.3998,11.9
6985,dehydro_proline,bmse000080,3,128.1163,10.28
6986,dehydro_proline,bmse000080,4,71.129,8.12
6987,dehydro_proline,bmse000080,5,55.1054,12.5
6988,D_3_phosphoglyceric_acid,bmse000007,1,181.5589,4.18
6989,D_3_phosphoglyceric_acid,bmse000007,2,75.6758,11.64
6990,D_3_phosphoglyceric_acid,bmse000007,3,75.5997,9.71
6991,D_3_phosphoglyceric_acid,bmse000007,4,69.5144,10.45
6992,D_3_phosphoglyceric_acid,bmse000007,5,69.4639,12.5
6993,D_fructose_1_6_bisphosphate,bmse000011,1,107.7441,1.24
6994,D_fructose_1_6_bisphosphate,bmse000011,2,107.6859,1.45
6995,D_fructose_1_6_bisphosphate,bmse000011,3,103.7998,2.79
6996,D_fructose_1_6_bisphosphate,bmse000011,4,103.7169,2.58
6997,D_fructose_1_6_bisphosphate,bmse000011,5,84.7524,1.84
6998,D_fructose_1_6_bisphosphate,bmse000011,6,84.6734,1.8
6999,D_fructose_1_6_bisphosphate,bmse000011,7,84.1618,3.88
7000,D_fructose_1_6_bisphosphate,bmse000011,8,82.4331,4.33
7001,D_fructose_1_6_bisphosphate,bmse000011,9,82.3517,4.54
7002,D_fructose_1_6_bisphosphate,bmse000011,10,79.436,3.58
7003,D_fructose_1_6_bisphosphate,bmse000011,11,78.4857,12.5
7004,D_fructose_1_6_bisphosphate,bmse000011,12,76.8309,8.44
7005,D_fructose_1_6_bisphosphate,bmse000011,13,68.3534,4.96
7006,D_fructose_1_6_bisphosphate,bmse000011,14,67.3714,1.78
7007,D_fructose_1_6_bisphosphate,bmse000011,15,67.0519,6.07
7008,D_fructose_1_6_bisphosphate,bmse000011,16,67.0078,5.96
7009,D_fructose_1_6_bisphosphate,bmse000011,17,66.9036,2.2
7010,D_fructose_1_6_bisphosphate,bmse000011,18,66.8591,2.2
7011,D_fructose_6_phosphate,bmse000012,1,107.1352,1.18
7012,D_fructose_6_phosphate,bmse000012,2,104.1799,5.96
7013,D_fructose_6_phosphate,bmse000012,3,84.4579,2.69
7014,D_fructose_6_phosphate,bmse000012,4,83.1582,1.38
7015,D_fructose_6_phosphate,bmse000012,5,83.081,1.12
7016,D_fructose_6_phosphate,bmse000012,6,82.6592,6.1
7017,D_fructose_6_phosphate,bmse000012,7,82.5783,5.8
7018,D_fructose_6_phosphate,bmse000012,8,78.536,2.85
7019,D_fructose_6_phosphate,bmse000012,9,77.8697,12.5
7020,D_fructose_6_phosphate,bmse000012,10,77.0604,11.73
7021,D_fructose_6_phosphate,bmse000012,11,67.0498,5.65
7022,D_fructose_6_phosphate,bmse000012,12,67.0041,5.36
7023,D_fructose_6_phosphate,bmse000012,13,66.1661,1.42
7024,D_fructose_6_phosphate,bmse000012,14,65.5593,2.38
7025,D_fructose_6_phosphate,bmse000012,15,65.331,9.82
7026,D_glucosamine,bmse000014,1,96.4205,8.72
7027,D_glucosamine,bmse000014,2,92.2506,9.77
7028,D_glucosamine,bmse000014,3,78.8513,9.64
7029,D_glucosamine,bmse000014,4,75.5831,6.35
7030,D_glucosamine,bmse000014,5,74.3295,12.27
7031,D_glucosamine,bmse000014,6,72.756,10.13
7032,D_glucosamine,bmse000014,7,72.4003,6.63
7033,D_glucosamine,bmse000014,8,72.3164,12.5
7034,D_glucosamine,bmse000014,9,63.2588,6.09
7035,D_glucosamine,bmse000014,10,63.0618,8.38
7036,D_glucosamine,bmse000014,11,59.6201,8.02
7037,D_glucosamine,bmse000014,12,57.0959,11.82
7038,D_glucose_6_phosphate,bmse000016,1,98.7788,8.55
7039,D_glucose_6_phosphate,bmse000016,2,94.9276,4.89
7040,D_glucose_6_phosphate,bmse000016,3,78.1764,4.82
7041,D_glucose_6_phosphate,bmse000016,4,78.106,3.56
7042,D_glucose_6_phosphate,bmse000016,5,77.9455,6.69
7043,D_glucose_6_phosphate,bmse000016,6,76.9831,9.41
7044,D_glucose_6_phosphate,bmse000016,7,75.0341,3.92
7045,D_glucose_6_phosphate,bmse000016,8,74.314,4.27
7046,D_glucose_6_phosphate,bmse000016,9,73.8171,2.12
7047,D_glucose_6_phosphate,bmse000016,10,73.7484,2.83
7048,D_glucose_6_phosphate,bmse000016,11,71.7635,12.5
7049,D_glucose_6_phosphate,bmse000016,12,65.5737,3.84
7050,D_glucose_6_phosphate,bmse000016,13,65.5308,3.24
7051,D_glucose_6_phosphate,bmse000016,14,65.4799,2.31
7052,D_maltose,bmse000017,1,102.3099,6.16
7053,D_maltose,bmse000017,2,102.2275,9.38
7054,D_maltose,bmse000017,3,98.4704,10.34
7055,D_maltose,bmse000017,4,94.5912,6.33
7056,D_maltose,bmse000017,5,79.5285,5.17
7057,D_maltose,bmse000017,6,79.3217,8.47
7058,D_maltose,bmse000017,7,78.9276,9.15
7059,D_maltose,bmse000017,8,77.2648,10.83
7060,D_maltose,bmse000017,9,76.7045,8.61
7061,D_maltose,bmse000017,10,75.9471,5.48
7062,D_maltose,bmse000017,11,75.5584,7.84
7063,D_maltose,bmse000017,12,75.5345,10.55
7064,D_maltose,bmse000017,13,75.3859,9.92
7065,D_maltose,bmse000017,14,74.4492,5.89
7066,D_maltose,bmse000017,15,74.3558,8.17
7067,D_maltose,bmse000017,16,73.9924,5.77
7068,D_maltose,bmse000017,17,72.6486,6.16
7069,D_maltose,bmse000017,18,72.0198,8.44
7070,D_maltose,bmse000017,19,63.4361,6.09
7071,D_maltose,bmse000017,20,63.2871,4.41
7072,D_maltose,bmse000017,21,63.1596,12.5
7073,D_ornithine,bmse000019,1,56.8208,12.5
7074,D_ornithine,bmse000019,2,41.5722,10.12
7075,D_ornithine,bmse000019,3,30.1825,12.11
7076,D_ornithine,bmse000019,4,25.4604,8.77
7077,D_threo_isocitric_acid,bmse000025,1,183.683,6.79
7078,D_threo_isocitric_acid,bmse000025,2,182.958,3.11
7079,D_threo_isocitric_acid,bmse000025,3,76.3916,11.16
7080,D_threo_isocitric_acid,bmse000025,4,51.8047,12.5
7081,D_threo_isocitric_acid,bmse000025,5,40.3285,10.98
7082,D_xylulose,bmse000027,1,108.4502,1.01
7083,D_xylulose,bmse000027,2,105.6511,3.08
7084,D_xylulose,bmse000027,3,83.18,3.1
7085,D_xylulose,bmse000027,4,78.9065,11.61
7086,D_xylulose,bmse000027,5,78.5426,3.96
7087,D_xylulose,bmse000027,6,78.011,2.93
7088,D_xylulose,bmse000027,7,77.5565,9.89
7089,D_xylulose,bmse000027,8,74.6749,2.45
7090,D_xylulose,bmse000027,9,74.6163,2.47
7091,D_xylulose,bmse000027,10,72.5201,10.76
7092,D_xylulose,bmse000027,11,68.7345,3.03
7093,D_xylulose,bmse000027,12,65.6799,12.5
7094,D_xylulose,bmse000027,13,65.1062,3.07
7095,D_xylulose,bmse000027,14,64.5556,3.06
7096,fumaric_acid,bmse000083,1,177.424,1.91
7097,fumaric_acid,bmse000083,2,138.042,12.5
7098,gluconic_acid,bmse000084,1,181.3386,1.89
7099,gluconic_acid,bmse000084,2,76.7743,10.33
7100,gluconic_acid,bmse000084,3,75.2613,9.8
7101,gluconic_acid,bmse000084,4,73.8705,12.36
7102,gluconic_acid,bmse000084,5,73.6525,10.2
7103,gluconic_acid,bmse000084,6,65.308,12.5
7104,alpha_D_glucose_1_phosphate,bmse000086,1,96.3867,5.99
7105,alpha_D_glucose_1_phosphate,bmse000086,2,96.3335,6.2
7106,alpha_D_glucose_1_phosphate,bmse000086,3,75.8391,10.34
7107,alpha_D_glucose_1_phosphate,bmse000086,4,74.9392,5.94
7108,alpha_D_glucose_1_phosphate,bmse000086,5,74.871,6.51
7109,alpha_D_glucose_1_phosphate,bmse000086,6,74.7037,12.5
7110,alpha_D_glucose_1_phosphate,bmse000086,7,72.4482,11.49
7111,alpha_D_glucose_1_phosphate,bmse000086,8,63.3999,9.58
7112,alpha_D_glucose_1_6_bisphosphate,bmse000087,1,96.6014,6.13
7113,alpha_D_glucose_1_6_bisphosphate,bmse000087,2,96.5465,7.96
7114,alpha_D_glucose_1_6_bisphosphate,bmse000087,3,75.3449,11.03
7115,alpha_D_glucose_1_6_bisphosphate,bmse000087,4,75.0612,6.57
7116,alpha_D_glucose_1_6_bisphosphate,bmse000087,5,74.9873,7.68
7117,alpha_D_glucose_1_6_bisphosphate,bmse000087,6,74.3802,6.65
7118,alpha_D_glucose_1_6_bisphosphate,bmse000087,7,74.317,7.4
7119,alpha_D_glucose_1_6_bisphosphate,bmse000087,8,71.5781,12.5
7120,alpha_D_glucose_1_6_bisphosphate,bmse000087,9,65.3993,4.84
7121,alpha_D_glucose_1_6_bisphosphate,bmse000087,10,65.3536,5.06
7122,glycine,bmse000089,1,175.1557,1.97
7123,glycine,bmse000089,2,44.1252,12.5
7124,guanine,bmse000090,1,170.3632,9.04
7125,guanine,bmse000090,2,163.6535,12.5
7126,guanine,bmse000090,3,161.8796,11.9
7127,guanine,bmse000090,4,120.9619,9.12
7128,guanosine,bmse000091,1,170.5025,1.71
7129,guanosine,bmse000091,2,163.3657,1.47
7130,guanosine,bmse000091,3,153.5645,2.67
7131,guanosine,bmse000091,4,139.3656,9.14
7132,guanosine,bmse000091,5,121.0084,1.46
7133,guanosine,bmse000091,6,90.841,11.95
7134,guanosine,bmse000091,7,88.5938,12.21
7135,guanosine,bmse000091,8,75.8197,12.21
7136,guanosine,bmse000091,9,73.7609,12.5
7137,guanosine,bmse000091,10,64.5009,9.96
7138,4_hydroxybenzoic_acid,bmse000092,1,161.2131,1.26
7139,4_hydroxybenzoic_acid,bmse000092,2,133.942,12.5
7140,4_hydroxybenzoic_acid,bmse000092,3,130.8287,1.62
7141,4_hydroxybenzoic_acid,bmse000092,4,117.592,10.22
7142,trans_3_hydroxycinnamic_acid,bmse000093,1,178.4192,2.27
7143,trans_3_hydroxycinnamic_acid,bmse000093,2,158.5422,3.6
7144,trans_3_hydroxycinnamic_acid,bmse000093,3,143.1901,8.95
7145,trans_3_hydroxycinnamic_acid,bmse000093,4,139.6042,3.48
7146,trans_3_hydroxycinnamic_acid,bmse000093,5,133.0298,11.46
7147,trans_3_hydroxycinnamic_acid,bmse000093,6,127.174,8.41
7148,trans_3_hydroxycinnamic_acid,bmse000093,7,122.9365,12.5
7149,trans_3_hydroxycinnamic_acid,bmse000093,8,119.3249,10.36
7150,trans_3_hydroxycinnamic_acid,bmse000093,9,116.6163,10.36
7151,hypoxanthine,bmse000094,1,164.9523,1.17
7152,hypoxanthine,bmse000094,2,159.7264,2.08
7153,hypoxanthine,bmse000094,3,150.37,10.69
7154,hypoxanthine,bmse000094,4,149.1756,12.5
7155,hypoxanthine,bmse000094,5,123.2364,1.06
7156,imidazole,bmse000096,1,137.7708,3.03
7157,imidazole,bmse000096,2,123.4233,12.5
7158,indole,bmse000097,1,138.3981,1.25
7159,indole,bmse000097,2,130.4755,1.24
7160,indole,bmse000097,3,126.7831,8.65
7161,indole,bmse000097,4,124.6229,12.5
7162,indole,bmse000097,5,123.3758,10.66
7163,indole,bmse000097,6,122.4493,10.48
7164,indole,bmse000097,7,113.6756,9.74
7165,indole,bmse000097,8,105.2378,11.58
7166,inosine,bmse000098,1,151.078,2.3
7167,inosine,bmse000098,2,148.9185,8.98
7168,inosine,bmse000098,3,142.8874,7.4
7169,inosine,bmse000098,4,126.8411,1.65
7170,inosine,bmse000098,5,91.1086,8.08
7171,inosine,bmse000098,6,88.2694,11.43
7172,inosine,bmse000098,7,76.7759,12.5
7173,inosine,bmse000098,8,73.0828,10.32
7174,inosine,bmse000098,9,64.0173,8.72
7175,i_erythritol,bmse000095,1,74.6148,12.5
7176,i_erythritol,bmse000095,2,65.3077,8.45
7177,L_alanine,bmse000028,1,178.5574,1.16
7178,L_alanine,bmse000028,2,53.2035,9.48
7179,L_alanine,bmse000028,3,18.8465,12.5
7180,L_arginine,bmse000029,1,177.2125,3.21
7181,L_arginine,bmse000029,2,57.0216,10.14
7182,L_arginine,bmse000029,3,43.2011,12.5
7183,L_arginine,bmse000029,4,30.2885,11.19
7184,L_arginine,bmse000029,5,26.5758,9.54
7185,L_asparagine,bmse000030,1,177.1771,1.47
7186,L_asparagine,bmse000030,2,176.209,1.94
7187,L_asparagine,bmse000030,3,53.9932,12.5
7188,L_asparagine,bmse000030,4,37.2983,11.26
7189,L_aspartic_acid,bmse000031,1,180.297,3.41
7190,L_aspartic_acid,bmse000031,2,176.9954,2.67
7191,L_aspartic_acid,bmse000031,3,54.9142,11.68
7192,L_aspartic_acid,bmse000031,4,39.2604,12.5
7193,L_citrulline,bmse000032,1,177.3878,3.15
7194,L_citrulline,bmse000032,2,164.2805,1.25
7195,L_citrulline,bmse000032,3,57.2048,11.84
7196,L_citrulline,bmse000032,4,41.9551,1.88
7197,L_citrulline,bmse000032,5,30.4444,12.5
7198,L_citrulline,bmse000032,6,27.6682,7.93
7199,L_cystathionine,bmse000033,1,56.4392,8
7200,L_cystathionine,bmse000033,2,56.2614,10.81
7201,L_cystathionine,bmse000033,3,34.8058,9.84
7202,L_cystathionine,bmse000033,4,32.8913,9.2
7203,L_cystathionine,bmse000033,5,29.7625,12.5
7204,L_cysteine,bmse000034,1,58.731,9.48
7205,L_cysteine,bmse000034,2,27.687,12.5
7206,L_cystine,bmse000035,1,183.331,3.03
7207,L_cystine,bmse000035,2,57.5783,12.5
7208,L_cystine,bmse000035,3,46.0281,10.99
7209,L_fucose,bmse000036,1,98.936,11.78
7210,L_fucose,bmse000036,2,94.9206,4.76
7211,L_fucose,bmse000036,3,75.6252,9.59
7212,L_fucose,bmse000036,4,74.6014,4.86
7213,L_fucose,bmse000036,5,74.3627,10.92
7214,L_fucose,bmse000036,6,74.1543,8.8
7215,L_fucose,bmse000036,7,73.586,9.85
7216,L_fucose,bmse000036,8,71.9701,4.6
7217,L_fucose,bmse000036,9,70.7832,3.67
7218,L_fucose,bmse000036,10,69.0314,4.4
7219,L_fucose,bmse000036,11,18.2232,12.5
7220,L_glutamic_acid,bmse000037,1,184.0438,2.16
7221,L_glutamic_acid,bmse000037,2,177.297,1.79
7222,L_glutamic_acid,bmse000037,3,57.3356,12.29
7223,L_glutamic_acid,bmse000037,4,36.1753,9.58
7224,L_glutamic_acid,bmse000037,5,29.6742,12.5
7225,L_glutamine,bmse000038,1,180.3694,1.86
7226,L_glutamine,bmse000038,2,176.8264,2.47
7227,L_glutamine,bmse000038,3,56.8326,9.96
7228,L_glutamine,bmse000038,4,33.528,10.99
7229,L_glutamine,bmse000038,5,28.9528,12.5
7230,L_histidine,bmse000039,1,176.6511,1.83
7231,L_histidine,bmse000039,2,138.9728,9.16
7232,L_histidine,bmse000039,3,134.6686,2.25
7233,L_histidine,bmse000039,4,119.5492,8.47
7234,L_histidine,bmse000039,5,57.4737,12.5
7235,L_histidine,bmse000039,6,30.7804,11.71
7236,L_homoserine,bmse000040,1,177.2374,1.7
7237,L_homoserine,bmse000040,2,61.3363,12.5
7238,L_homoserine,bmse000040,3,56.0719,8.39
7239,L_homoserine,bmse000040,4,34.8823,11.17
7240,L_isoleucine,bmse000041,1,176.9223,1.89
7241,L_isoleucine,bmse000041,2,62.2493,12.5
7242,L_isoleucine,bmse000041,3,38.5957,9.56
7243,L_isoleucine,bmse000041,4,27.1531,12.15
7244,L_isoleucine,bmse000041,5,17.3893,8.4
7245,L_isoleucine,bmse000041,6,13.8035,7.76
7246,L_leucine,bmse000042,1,178.3284,2.9
7247,L_leucine,bmse000042,2,56.1175,11.06
7248,L_leucine,bmse000042,3,42.5151,11.41
7249,L_leucine,bmse000042,4,26.8579,12.5
7250,L_leucine,bmse000042,5,24.7283,9.43
7251,L_leucine,bmse000042,6,23.5808,12.45
7252,L_lysine,bmse000043,1,177.4077,2.58
7253,L_lysine,bmse000043,2,57.1969,9.77
7254,L_lysine,bmse000043,3,41.7595,10.04
7255,L_lysine,bmse000043,4,32.6068,10.59
7256,L_lysine,bmse000043,5,29.1125,12.5
7257,L_lysine,bmse000043,6,24.1325,10.95
7258,malic_acid,bmse000046,1,183.7669,2.25
7259,malic_acid,bmse000046,2,182.5706,2
7260,malic_acid,bmse000046,3,73.0495,9.52
7261,malic_acid,bmse000046,4,45.3174,12.5
7262,L_methionine,bmse000044,1,177.0256,1.63
7263,L_methionine,bmse000044,2,56.5949,11.7
7264,L_methionine,bmse000044,3,32.3948,11.02
7265,L_methionine,bmse000044,4,31.5117,12.5
7266,L_methionine,bmse000044,5,16.6207,5.66
7267,L_phenylalanine,bmse000045,1,137.8245,2.32
7268,L_phenylalanine,bmse000045,2,132.08,12.5
7269,L_phenylalanine,bmse000045,3,131.8234,9.6
7270,L_phenylalanine,bmse000045,4,130.4017,5.37
7271,L_phenylalanine,bmse000045,5,58.7477,5.25
7272,L_phenylalanine,bmse000045,6,39.0993,5.55
7273,L_proline,bmse000047,1,177.4144,1.3
7274,L_proline,bmse000047,2,63.9229,11.05
7275,L_proline,bmse000047,3,48.7631,9.32
7276,L_proline,bmse000047,4,31.6863,12.5
7277,L_proline,bmse000047,5,26.4548,9.6
7278,L_serine,bmse000048,1,62.8928,12.5
7279,L_serine,bmse000048,2,59.0815,8.62
7280,L_threonine,bmse000049,1,175.6411,1.16
7281,L_threonine,bmse000049,2,68.6408,12.03
7282,L_threonine,bmse000049,3,63.1368,12.5
7283,L_threonine,bmse000049,4,22.1352,12.2
7284,L_tryptophan,bmse000050,1,177.255,2.71
7285,L_tryptophan,bmse000050,2,139.0401,1.59
7286,L_tryptophan,bmse000050,3,129.3512,1.89
7287,L_tryptophan,bmse000050,4,127.7463,10.84
7288,L_tryptophan,bmse000050,5,124.8346,12.27
7289,L_tryptophan,bmse000050,6,122.1638,12.5
7290,L_tryptophan,bmse000050,7,121.1566,12.38
7291,L_tryptophan,bmse000050,8,114.6587,10.23
7292,L_tryptophan,bmse000050,9,110.1782,4.04
7293,L_tryptophan,bmse000050,10,57.7537,11.28
7294,L_tryptophan,bmse000050,11,29.1016,11.57
7295,L_tyrosine,bmse000051,1,184.1279,1.35
7296,L_tyrosine,bmse000051,2,163.7886,1.13
7297,L_tyrosine,bmse000051,3,133.3998,10.61
7298,L_tyrosine,bmse000051,4,128.0459,2.21
7299,L_tyrosine,bmse000051,5,120.2955,12.5
7300,L_tyrosine,bmse000051,6,60.0412,5.12
7301,L_tyrosine,bmse000051,7,41.8233,4.45
7302,L_valine,bmse000052,1,63.0706,10.1
7303,L_valine,bmse000052,2,31.7958,11.73
7304,L_valine,bmse000052,3,20.6547,12.29
7305,L_valine,bmse000052,4,19.3267,12.5
7306,D_mannitol,bmse000099,1,73.4901,12.5
7307,D_mannitol,bmse000099,2,71.9258,8.62
7308,D_mannitol,bmse000099,3,65.9197,11.81
7309,meso_erythritol,bmse000100,1,74.6159,12.5
7310,meso_erythritol,bmse000100,2,65.309,8.37
7311,methyl_oxobutanoic_acid,bmse000101,1,39.7045,5.48
7312,methyl_oxobutanoic_acid,bmse000101,2,19.0607,12.5
7313,muco_inositol,bmse000102,1,75.0137,6.8
7314,muco_inositol,bmse000102,2,72.8728,12.5
7315,myo_inositol,bmse000103,1,77.0519,5.9
7316,myo_inositol,bmse000103,2,75.1054,12.5
7317,myo_inositol,bmse000103,3,74.8867,4.4
7318,myo_inositol,bmse000103,4,73.8316,10.8
7319,NAD,bmse000053,1,167.8653,3.69
7320,NAD,bmse000053,2,158.0181,4.21
7321,NAD,bmse000053,3,155.468,8.5
7322,NAD,bmse000053,4,151.5966,5.8
7323,NAD,bmse000053,5,148.4441,6.77
7324,NAD,bmse000053,6,145.0618,5.64
7325,NAD,bmse000053,7,142.6338,5.11
7326,NAD,bmse000053,8,142.3914,7.13
7327,NAD,bmse000053,9,136.3277,6.28
7328,NAD,bmse000053,10,131.3233,7.72
7329,NAD,bmse000053,11,121.0165,3.15
7330,NAD,bmse000053,12,102.7367,9.04
7331,NAD,bmse000053,13,89.7361,5.45
7332,NAD,bmse000053,14,89.6488,5.15
7333,NAD,bmse000053,15,89.3547,10.54
7334,NAD,bmse000053,16,86.5859,5.25
7335,NAD,bmse000053,17,86.4979,5.24
7336,NAD,bmse000053,18,80.3065,12.5
7337,NAD,bmse000053,19,76.6526,12.24
7338,NAD,bmse000053,20,73.2929,11.75
7339,NAD,bmse000053,21,73.0829,11.48
7340,NAD,bmse000053,22,68.1579,4.36
7341,NAD,bmse000053,23,68.1059,4.27
7342,NAD,bmse000053,24,67.6491,4.7
7343,NAD,bmse000053,25,67.5973,4.24
7344,NADH,bmse000054,1,175.3474,5.48
7345,NADH,bmse000054,2,158.1968,4.24
7346,NADH,bmse000054,3,155.4171,8.83
7347,NADH,bmse000054,4,151.5844,5.71
7348,NADH,bmse000054,5,142.3515,6.8
7349,NADH,bmse000054,6,141.1257,9.71
7350,NADH,bmse000054,7,126.4094,7.79
7351,NADH,bmse000054,8,121.2963,4.16
7352,NADH,bmse000054,9,108.0387,9.52
7353,NADH,bmse000054,10,102.5371,7.01
7354,NADH,bmse000054,11,97.7448,9.22
7355,NADH,bmse000054,12,89.7936,11.06
7356,NADH,bmse000054,13,86.3582,5.51
7357,NADH,bmse000054,14,85.0981,5.6
7358,NADH,bmse000054,15,77.2518,12.23
7359,NADH,bmse000054,16,73.4643,12.14
7360,NADH,bmse000054,17,73.2824,12.5
7361,NADH,bmse000054,18,72.9239,9.04
7362,NADH,bmse000054,19,68.6321,4.65
7363,NADH,bmse000054,20,67.8556,4.52
7364,NADH,bmse000054,21,24.5551,8.23
7365,NADH,bmse000054,22,19.5029,3.45
7366,NADPH,bmse000055,1,175.4549,3.91
7367,NADPH,bmse000055,2,158.2562,4.4
7368,NADPH,bmse000055,3,155.3726,8.4
7369,NADPH,bmse000055,4,151.6612,4.78
7370,NADPH,bmse000055,5,142.7666,6.52
8535,FMN,bmse000257,18,21.3437,12.5
7371,NADPH,bmse000055,6,141.0746,8.37
7372,NADPH,bmse000055,7,126.4637,8.6
7373,NADPH,bmse000055,8,108.0154,8.41
7374,NADPH,bmse000055,9,102.5834,6.37
7375,NADPH,bmse000055,10,97.6847,9.4
7376,NADPH,bmse000055,11,89.5671,4.71
7377,NADPH,bmse000055,12,89.4832,4.7
7378,NADPH,bmse000055,13,85.6232,4.52
7379,NADPH,bmse000055,14,85.136,4.45
7380,NADPH,bmse000055,15,79.2632,4.94
7381,NADPH,bmse000055,16,73.4756,12.5
7382,NADPH,bmse000055,17,73.324,11.5
7383,NADPH,bmse000055,18,72.7309,8.21
7384,NADPH,bmse000055,19,68.5416,4.39
7385,NADPH,bmse000055,20,67.9571,5.25
7386,NADPH,bmse000055,21,24.6213,6.74
7387,niacin,bmse000104,1,176.0593,0.88
7388,niacin,bmse000104,2,153.1473,12.5
7389,niacin,bmse000104,3,151.7346,9.43
7390,niacin,bmse000104,4,140.3918,11.16
7391,niacin,bmse000104,5,135.0395,2.37
7392,niacin,bmse000104,6,126.6461,10.94
7393,nicotine,bmse000105,1,152.9553,11.86
7394,nicotine,bmse000105,2,151.8079,8.39
7395,nicotine,bmse000105,3,139.9786,11.24
7396,nicotine,bmse000105,4,132.2848,2.82
7397,nicotine,bmse000105,5,127.6138,11.08
7398,nicotine,bmse000105,6,72.3903,8.23
7399,nicotine,bmse000105,7,58.7754,9.8
7400,nicotine,bmse000105,8,40.9138,11.41
7401,nicotine,bmse000105,9,33.0757,8.96
7402,nicotine,bmse000105,10,24.2203,12.5
7403,N_acetylneuraminic_acid,bmse000057,1,179.4931,2.99
7404,N_acetylneuraminic_acid,bmse000057,2,177.4691,5.36
7405,N_acetylneuraminic_acid,bmse000057,3,99.1066,6.81
7406,N_acetylneuraminic_acid,bmse000057,4,73.0136,10.35
7407,N_acetylneuraminic_acid,bmse000057,5,72.9084,11.02
7408,N_acetylneuraminic_acid,bmse000057,6,71.2583,9.48
7409,N_acetylneuraminic_acid,bmse000057,7,70.0063,10.08
7410,N_acetylneuraminic_acid,bmse000057,8,66.0063,10.13
7411,N_acetylneuraminic_acid,bmse000057,9,54.9693,12.5
7412,N_acetylneuraminic_acid,bmse000057,10,42.0905,8.84
7413,N_acetylneuraminic_acid,bmse000057,11,24.8195,11.34
7414,N_acetyl_D_mannosamine,bmse000056,1,178.4248,1.93
7415,N_acetyl_D_mannosamine,bmse000056,2,177.4968,2.6
7416,N_acetyl_D_mannosamine,bmse000056,3,95.8209,8.31
7417,N_acetyl_D_mannosamine,bmse000056,4,95.688,9.13
7418,N_acetyl_D_mannosamine,bmse000056,5,79.0399,10.23
7419,N_acetyl_D_mannosamine,bmse000056,6,74.7525,9.08
7420,N_acetyl_D_mannosamine,bmse000056,7,74.6939,8.91
7421,N_acetyl_D_mannosamine,bmse000056,8,71.5593,11.26
7422,N_acetyl_D_mannosamine,bmse000056,9,69.4618,11.11
7423,N_acetyl_D_mannosamine,bmse000056,10,69.1894,8.23
7424,N_acetyl_D_mannosamine,bmse000056,11,63.0714,12.5
7425,N_acetyl_D_mannosamine,bmse000056,12,56.7834,6.76
7426,N_acetyl_D_mannosamine,bmse000056,13,55.9143,11.74
7427,N_acetyl_D_mannosamine,bmse000056,14,24.7467,6.42
7428,N_acetyl_D_mannosamine,bmse000056,15,24.6103,7.83
7429,oxalate,bmse000106,1,176.1386,12.5
7430,O_succinyl_L_homoserine,bmse000058,1,183.8863,2.56
7431,O_succinyl_L_homoserine,bmse000058,2,178.3647,2.14
7432,O_succinyl_L_homoserine,bmse000058,3,176.7702,2.64
7433,O_succinyl_L_homoserine,bmse000058,4,64.4599,9.53
7434,O_succinyl_L_homoserine,bmse000058,5,55.5165,8.79
7435,O_succinyl_L_homoserine,bmse000058,6,35.6935,1.47
7436,O_succinyl_L_homoserine,bmse000058,7,34.6435,11.39
7437,O_succinyl_L_homoserine,bmse000058,8,33.1998,12.5
7438,O_succinyl_L_homoserine,bmse000058,9,32.0477,7.9
7439,phosphoenolpyruvic_acid,bmse000107,1,152.4983,4.37
7440,phosphoenolpyruvic_acid,bmse000107,2,152.4267,2.42
7441,phosphoenolpyruvic_acid,bmse000107,3,102.8677,10.91
7442,phosphoenolpyruvic_acid,bmse000107,4,102.8401,12.5
7443,prephenic_acid,bmse000108,1,134.012,12.19
7444,prephenic_acid,bmse000108,2,130.3553,12.5
7445,prephenic_acid,bmse000108,3,64.0727,7.77
7446,prephenic_acid,bmse000108,4,51.2462,2.5
7447,prephenic_acid,bmse000108,5,50.6545,5.86
7448,putrescine,bmse000109,1,41.551,11.73
7449,putrescine,bmse000109,2,26.5984,12.5
7450,pyridoxal,bmse000110,1,161.5671,1.78
7451,pyridoxal,bmse000110,2,148.0785,2.3
7452,pyridoxal,bmse000110,3,140.9568,3.28
7453,pyridoxal,bmse000110,4,139.5279,4.52
7454,pyridoxal,bmse000110,5,120.0727,6.07
7455,pyridoxal,bmse000110,6,102.0212,10.48
7456,pyridoxal,bmse000110,7,72.5072,12.5
7457,pyridoxal,bmse000110,8,17.5108,7.09
7458,pyridoxal_5_phosphate,bmse000111,1,198.7901,4.06
7459,pyridoxal_5_phosphate,bmse000111,2,154.2739,7.56
7460,pyridoxal_5_phosphate,bmse000111,3,139.0553,2.73
7461,pyridoxal_5_phosphate,bmse000111,4,138.9802,2.7
7462,pyridoxal_5_phosphate,bmse000111,5,128.8539,3.48
7463,pyridoxal_5_phosphate,bmse000111,6,126.7748,3.24
7464,pyridoxal_5_phosphate,bmse000111,7,91.4524,2.95
7465,pyridoxal_5_phosphate,bmse000111,8,64.4322,9.86
7466,pyridoxal_5_phosphate,bmse000111,9,64.3954,7.79
7467,pyridoxal_5_phosphate,bmse000111,10,18.7125,12.5
7468,pyridoxal_5_phosphate,bmse000111,11,17.3618,2.26
7469,pyridoxamine,bmse000130,1,165.5851,1.63
7470,pyridoxamine,bmse000130,2,148.1236,2.38
7471,pyridoxamine,bmse000130,3,138.2661,5.06
7472,pyridoxamine,bmse000130,4,134.7636,2.63
7473,pyridoxamine,bmse000130,5,126.6506,8.52
7474,pyridoxamine,bmse000130,6,61.8257,9.73
7475,pyridoxamine,bmse000130,7,39.2287,12.5
7476,pyridoxamine,bmse000130,8,18.1093,10.27
7477,pyridoxamine_5_phosphate,bmse000131,1,165.6996,3.42
7478,pyridoxamine_5_phosphate,bmse000131,2,147.3396,4.49
7479,pyridoxamine_5_phosphate,bmse000131,3,137.5932,4.37
7480,pyridoxamine_5_phosphate,bmse000131,4,137.5201,3.66
7481,pyridoxamine_5_phosphate,bmse000131,5,135.8735,6.9
7482,pyridoxamine_5_phosphate,bmse000131,6,125.9833,8.38
7483,pyridoxamine_5_phosphate,bmse000131,7,64.3374,8.14
7484,pyridoxamine_5_phosphate,bmse000131,8,64.2962,7.45
7485,pyridoxamine_5_phosphate,bmse000131,9,38.955,12.5
7486,pyridoxamine_5_phosphate,bmse000131,10,17.7372,11.91
7487,scyllo_inositol,bmse000113,1,76.2821,12.5
7488,shikimic_acid,bmse000114,1,178.0757,1.84
7489,shikimic_acid,bmse000114,2,138.7121,3.69
7490,shikimic_acid,bmse000114,3,133.2065,8.63
7491,shikimic_acid,bmse000114,4,74.7462,8.91
7492,shikimic_acid,bmse000114,5,69.5201,11.73
7493,shikimic_acid,bmse000114,6,68.9871,12.5
7494,shikimic_acid,bmse000114,7,35.3685,8.86
7495,D_sorbitol,bmse000115,1,75.6364,11.8
7496,D_sorbitol,bmse000115,2,73.7844,11.91
7497,D_sorbitol,bmse000115,3,73.6628,11.46
7498,D_sorbitol,bmse000115,4,72.3478,12.5
7499,D_sorbitol,bmse000115,5,65.5074,7.86
7500,D_sorbitol,bmse000115,6,65.1126,9.65
7501,spermidine,bmse000116,1,49.7685,12.5
7502,spermidine,bmse000116,2,47.255,9.6
7503,spermidine,bmse000116,3,41.5152,10.94
7504,spermidine,bmse000116,4,39.2998,10.61
7505,spermidine,bmse000116,5,26.64,10.09
7506,spermidine,bmse000116,6,26.5227,9.51
7507,spermidine,bmse000116,7,25.4882,11.59
7508,spermine,bmse000117,1,50.4642,10.16
7509,spermine,bmse000117,2,48.3361,12.5
7510,spermine,bmse000117,3,40.6981,12.1
7511,spermine,bmse000117,4,30.823,7.1
7512,spermine,bmse000117,5,27.6835,10.97
7513,succinic_acid,bmse000118,1,185.1648,1.78
7514,succinic_acid,bmse000118,2,36.8897,12.5
7515,sucrose,bmse000119,1,106.3887,6.15
7516,sucrose,bmse000119,2,94.8829,11.39
7517,sucrose,bmse000119,3,84.0666,11.94
7518,sucrose,bmse000119,4,79.0967,11.54
7519,sucrose,bmse000119,5,76.6892,12.13
7520,sucrose,bmse000119,6,75.2562,11.56
7521,sucrose,bmse000119,7,75.107,12.4
7522,sucrose,bmse000119,8,73.7694,11.94
7523,sucrose,bmse000119,9,71.9114,12.5
7524,sucrose,bmse000119,10,65.0741,11.11
7525,sucrose,bmse000119,11,64.0305,10.38
7526,sucrose,bmse000119,12,62.8059,9.96
7527,S_adenosyl_L_methionine,bmse000059,1,177.2049,1.06
7528,S_adenosyl_L_methionine,bmse000059,2,175.5374,3.57
7529,S_adenosyl_L_methionine,bmse000059,3,158.2573,4.07
7530,S_adenosyl_L_methionine,bmse000059,4,158.1473,1.23
7531,S_adenosyl_L_methionine,bmse000059,5,155.5574,8.68
7532,S_adenosyl_L_methionine,bmse000059,6,155.4871,3.71
7533,S_adenosyl_L_methionine,bmse000059,7,154.9459,1.28
7534,S_adenosyl_L_methionine,bmse000059,8,151.4918,1.4
7535,S_adenosyl_L_methionine,bmse000059,9,151.3094,4.84
7536,S_adenosyl_L_methionine,bmse000059,10,143.3489,7.53
7537,S_adenosyl_L_methionine,bmse000059,11,142.6447,2.96
7538,S_adenosyl_L_methionine,bmse000059,12,121.7408,3.05
7539,S_adenosyl_L_methionine,bmse000059,13,91.8,12.5
7540,S_adenosyl_L_methionine,bmse000059,14,90.1262,1.08
7541,S_adenosyl_L_methionine,bmse000059,15,90.0407,3.67
7542,S_adenosyl_L_methionine,bmse000059,16,85.9474,3.7
7543,S_adenosyl_L_methionine,bmse000059,17,81.4782,2.83
7544,S_adenosyl_L_methionine,bmse000059,18,80.8642,9.06
7545,S_adenosyl_L_methionine,bmse000059,19,76.1774,4.19
7546,S_adenosyl_L_methionine,bmse000059,20,75.6933,3.46
7547,S_adenosyl_L_methionine,bmse000059,21,75.4417,10.55
7548,S_adenosyl_L_methionine,bmse000059,22,75.2896,11.21
7549,S_adenosyl_L_methionine,bmse000059,23,75.2102,3.9
7550,S_adenosyl_L_methionine,bmse000059,24,75.0576,4.66
7551,S_adenosyl_L_methionine,bmse000059,25,61.3914,4.52
7552,S_adenosyl_L_methionine,bmse000059,26,60.181,3.6
7553,S_adenosyl_L_methionine,bmse000059,27,56.1328,4.11
7554,S_adenosyl_L_methionine,bmse000059,28,55.5398,11.64
7555,S_adenosyl_L_methionine,bmse000059,29,55.4732,3.85
7556,S_adenosyl_L_methionine,bmse000059,30,51.6245,1.02
7557,S_adenosyl_L_methionine,bmse000059,31,47.0027,7.3
7558,S_adenosyl_L_methionine,bmse000059,32,41.6503,2.53
7559,S_adenosyl_L_methionine,bmse000059,33,41.5608,8
7560,S_adenosyl_L_methionine,bmse000059,34,39.296,1.04
7561,S_adenosyl_L_methionine,bmse000059,35,38.5747,3.27
7562,S_adenosyl_L_methionine,bmse000059,36,34.9032,4.07
7563,S_adenosyl_L_methionine,bmse000059,37,28.138,8.12
7564,S_adenosyl_L_methionine,bmse000059,38,27.9802,2.58
7565,S_adenosyl_L_methionine,bmse000059,39,26.5384,1.05
7566,S_adenosyl_L_methionine,bmse000059,40,26.4688,3.89
7567,S_adenosyl_L_methionine,bmse000059,41,26.1398,11.37
7568,S_adenosyl_L_methionine,bmse000059,42,19.5416,3.82
7569,S_adenosyl_L_methionine,bmse000059,43,18.0425,2.93
7570,taurine,bmse000120,1,50.2124,12.5
7571,taurine,bmse000120,2,38.0682,11.7
7572,L_threitol,bmse000121,1,74.3047,12.5
7573,L_threitol,bmse000121,2,65.3263,12.42
7574,trans_4_hydroxy_L_proline,bmse000123,1,177.0263,1.29
7575,trans_4_hydroxy_L_proline,bmse000123,2,72.7686,12.34
7576,trans_4_hydroxy_L_proline,bmse000123,3,62.5265,8.41
7577,trans_4_hydroxy_L_proline,bmse000123,4,55.643,12.5
7578,trans_4_hydroxy_L_proline,bmse000123,5,40.1298,9.82
7579,trans_cinnamic_acid,bmse000124,1,143.5556,4.31
7580,trans_cinnamic_acid,bmse000124,2,137.8775,1.34
7581,trans_cinnamic_acid,bmse000124,3,132.3324,6.15
7582,trans_cinnamic_acid,bmse000124,4,131.6902,9.94
7583,trans_cinnamic_acid,bmse000124,5,130.4135,12.5
7584,trans_cinnamic_acid,bmse000124,6,126.8267,3.92
7585,D_trehalose,bmse000125,1,95.9171,12.5
7586,D_trehalose,bmse000125,2,75.2081,11.88
7587,D_trehalose,bmse000125,3,74.8491,10.1
7588,D_trehalose,bmse000125,4,73.7422,9.97
7589,D_trehalose,bmse000125,5,72.3894,11.58
7590,D_trehalose,bmse000125,6,63.2132,8.55
7591,uric_acid,bmse000126,1,167.6653,6.04
7592,uric_acid,bmse000126,2,165.3393,12.5
7593,uric_acid,bmse000126,3,162.2146,6.72
7594,uric_acid,bmse000126,4,156.4958,8.87
7595,uric_acid,bmse000126,5,104.5779,6.55
7596,xanthine,bmse000127,1,163.3303,1.9
7597,xanthine,bmse000127,2,161.9958,1.23
7598,xanthine,bmse000127,3,158.0123,1.54
7599,xanthine,bmse000127,4,142.7225,12.5
7600,xanthine,bmse000127,5,116.2503,1.15
7601,xanthosine,bmse000128,1,163.7475,1.41
7602,xanthosine,bmse000128,2,162.2764,1.3
7603,xanthosine,bmse000128,3,155.8547,2.56
7604,xanthosine,bmse000128,4,140.0607,9.27
7605,xanthosine,bmse000128,5,118.2068,1.28
7606,xanthosine,bmse000128,6,90.6608,11.73
7607,xanthosine,bmse000128,7,88.5324,12.41
7608,xanthosine,bmse000128,8,75.9737,12.5
7609,xanthosine,bmse000128,9,73.5577,11.03
7610,xanthosine,bmse000128,10,64.3556,8.81
7611,xylitol,bmse000129,1,74.6275,11.33
7612,xylitol,bmse000129,2,73.4743,6.7
7613,xylitol,bmse000129,3,65.3143,12.5
7614,tyramine,bmse000243,1,157.2984,1.41
7615,tyramine,bmse000243,2,132.9956,12.5
7616,tyramine,bmse000243,3,131.1649,2.03
7617,tyramine,bmse000243,4,118.5125,12.18
7618,tyramine,bmse000243,5,43.4518,5.34
7619,tyramine,bmse000243,6,34.6329,6.06
7620,L_carnosine,bmse000246,1,180.2008,3.84
7621,L_carnosine,bmse000246,2,174.3323,4.86
7622,L_carnosine,bmse000246,3,137.5197,9.53
7623,L_carnosine,bmse000246,4,134.6631,4.69
7624,L_carnosine,bmse000246,5,119.8491,10.48
7625,L_carnosine,bmse000246,6,57.5784,11.65
7626,L_carnosine,bmse000246,7,38.3703,11.44
7627,L_carnosine,bmse000246,8,34.7671,12.5
7628,L_carnosine,bmse000246,9,30.9947,9.98
7629,glycolate,bmse000245,1,182.6562,5.25
7630,glycolate,bmse000245,2,63.9098,12.5
7631,1_3_dimethylurea,bmse000248,1,29.1399,12.5
7632,D_glucosamine,bmse000247,1,96.7337,8.51
7633,D_glucosamine,bmse000247,2,92.4167,12.41
7634,D_glucosamine,bmse000247,3,78.843,9.89
7635,D_glucosamine,bmse000247,4,75.8685,8.3
7636,D_glucosamine,bmse000247,5,74.3489,12.5
7637,D_glucosamine,bmse000247,6,72.9419,11.22
7638,D_glucosamine,bmse000247,7,72.4037,9.8
7639,D_glucosamine,bmse000247,8,72.3301,12.04
7640,D_glucosamine,bmse000247,9,63.2894,7.62
7641,D_glucosamine,bmse000247,10,63.0782,11.08
7642,D_glucosamine,bmse000247,11,59.6847,8.44
7643,D_glucosamine,bmse000247,12,57.1428,11.73
7644,isethionic_acid,bmse000242,1,59.6397,12.02
7645,isethionic_acid,bmse000242,2,55.5295,12.5
7646,N_N_dimethylglycine,bmse000241,1,62.5717,6.55
7647,N_N_dimethylglycine,bmse000241,2,46.2286,12.5
7648,dihydroxyacetone,bmse000144,1,214.7833,3.78
7649,dihydroxyacetone,bmse000144,2,97.773,1.6
7650,dihydroxyacetone,bmse000144,3,66.2429,12.5
7651,N_acetyl_L_glutamine,bmse000145,1,181.3622,2.37
7652,N_acetyl_L_glutamine,bmse000145,2,181.1277,3.44
7653,N_acetyl_L_glutamine,bmse000145,3,176.3862,3.32
7654,N_acetyl_L_glutamine,bmse000145,4,57.3658,12.5
7655,N_acetyl_L_glutamine,bmse000145,5,34.4405,9.75
7656,N_acetyl_L_glutamine,bmse000145,6,30.4549,10.18
7657,N_acetyl_L_glutamine,bmse000145,7,24.6247,9.17
7658,ADA,bmse000146,1,180.0279,1.66
7659,ADA,bmse000146,2,60.0622,12.5
7660,ADA,bmse000146,3,59.955,1.44
7661,4_aminoantipyrine,bmse000147,1,144.7673,1.72
7662,4_aminoantipyrine,bmse000147,2,135.763,1.74
7663,4_aminoantipyrine,bmse000147,3,132.3952,12.5
7664,4_aminoantipyrine,bmse000147,4,131.8174,5.85
7665,4_aminoantipyrine,bmse000147,5,129.3212,12.35
7666,4_aminoantipyrine,bmse000147,6,37.2322,4.81
7667,4_aminoantipyrine,bmse000147,7,11.7408,4.42
7668,acetylcarnitine,bmse000142,1,179.354,4.03
7669,acetylcarnitine,bmse000142,2,175.4615,4.06
7670,acetylcarnitine,bmse000142,3,70.835,4.53
7671,acetylcarnitine,bmse000142,4,69.5734,12.5
7672,acetylcarnitine,bmse000142,5,56.5103,12.2
7673,acetylcarnitine,bmse000142,6,42.9071,9.73
7674,acetylcarnitine,bmse000142,7,23.3168,9.11
7675,5_acetylamido_2_chloroaniline,bmse000143,1,139.2064,3.06
7676,5_acetylamido_2_chloroaniline,bmse000143,2,132.3826,12.5
7677,5_acetylamido_2_chloroaniline,bmse000143,3,116.2078,11.5
7678,5_acetylamido_2_chloroaniline,bmse000143,4,112.9825,11.85
7679,5_acetylamido_2_chloroaniline,bmse000143,5,25.522,8.76
7680,uracil,bmse000187,1,170.2202,1.35
7681,uracil,bmse000187,2,146.2032,10.52
7682,uracil,bmse000187,3,103.7407,12.5
7683,cytidine,bmse000190,1,168.8862,2.92
7684,cytidine,bmse000190,2,160.3399,2.39
7685,cytidine,bmse000190,3,144.3268,8.93
7686,cytidine,bmse000190,4,98.9421,9.02
7687,cytidine,bmse000190,5,92.9764,11.59
7688,cytidine,bmse000190,6,86.4726,11.93
7689,cytidine,bmse000190,7,76.6665,12.26
7690,cytidine,bmse000190,8,71.9801,12.5
7691,cytidine,bmse000190,9,63.4255,9.89
7692,propionic_acid,bmse000179,1,187.7472,2.27
7693,propionic_acid,bmse000179,2,33.4143,12.5
7694,propionic_acid,bmse000179,3,12.8911,11.53
7695,cytosine,bmse000180,1,170.1095,1.09
7696,cytosine,bmse000180,2,145.8461,10.28
7697,cytosine,bmse000180,3,97.8181,12.5
7698,3_hydroxybutyrate,bmse000161,1,183.1934,2.18
7699,3_hydroxybutyrate,bmse000161,2,68.3994,9.53
7700,3_hydroxybutyrate,bmse000161,3,49.2195,12.5
7701,3_hydroxybutyrate,bmse000161,4,24.4317,11.28
7702,sarcosine,bmse000160,1,174.1787,1.69
7703,sarcosine,bmse000160,2,53.5151,12.5
7704,sarcosine,bmse000160,3,35.3495,10.56
7705,beta_alanine,bmse000159,1,181.1398,1.61
7706,beta_alanine,bmse000159,2,39.2339,9.51
7707,beta_alanine,bmse000159,3,36.2855,12.5
7708,uridine,bmse000158,1,169.0394,2.54
7709,uridine,bmse000158,2,154.4569,2.08
7710,uridine,bmse000158,3,144.529,8.58
7711,uridine,bmse000158,4,104.9743,9.81
7712,uridine,bmse000158,5,92.0363,11.1
7713,uridine,bmse000158,6,86.9005,11.88
7714,uridine,bmse000158,7,76.3651,11.81
7715,uridine,bmse000158,8,72.0985,12.5
7716,uridine,bmse000158,9,63.4211,9.74
7717,N_acetyl_L_alanine,bmse000157,1,183.142,2.18
7718,N_acetyl_L_alanine,bmse000157,2,176.0277,2.41
7719,N_acetyl_L_alanine,bmse000157,3,53.6895,12.5
7720,N_acetyl_L_alanine,bmse000157,4,24.5618,8.98
7721,N_acetyl_L_alanine,bmse000157,5,20.0042,11.11
7722,trimethyl_phosphonoacetate,bmse000156,1,56.6257,8.02
7723,trimethyl_phosphonoacetate,bmse000156,2,56.5607,8.02
7724,trimethyl_phosphonoacetate,bmse000156,3,55.9903,12.5
7725,creatinine,bmse000155,1,191.713,2.26
7726,creatinine,bmse000155,2,59.1239,12.5
7727,creatinine,bmse000155,3,58.8527,2.53
7728,creatinine,bmse000155,4,58.6295,1.96
7729,creatinine,bmse000155,5,32.9001,9.73
7730,4_2_aminoethyl_morpholine,bmse000154,1,68.8872,12.21
7731,4_2_aminoethyl_morpholine,bmse000154,2,56.9694,6.45
7732,4_2_aminoethyl_morpholine,bmse000154,3,55.1945,12.5
7733,4_2_aminoethyl_morpholine,bmse000154,4,38.3707,5.31
7734,L_methionine_methylsulfonium_iodide,bmse000153,1,176.1278,2.46
7735,L_methionine_methylsulfonium_iodide,bmse000153,2,55.6328,12.37
7736,L_methionine_methylsulfonium_iodide,bmse000153,3,42.2714,10.53
7737,L_methionine_methylsulfonium_iodide,bmse000153,4,28.1127,10.06
7738,L_methionine_methylsulfonium_iodide,bmse000153,5,27.4753,11.87
7739,L_methionine_methylsulfonium_iodide,bmse000153,6,27.4428,12.5
7740,trigonelline,bmse000152,1,170.5429,1.63
7741,trigonelline,bmse000152,2,148.7294,3.53
7742,trigonelline,bmse000152,3,148.5432,3.12
7743,trigonelline,bmse000152,4,147.4509,9.81
7744,trigonelline,bmse000152,5,139.591,3.58
7745,trigonelline,bmse000152,6,130.3808,12.5
7746,trigonelline,bmse000152,7,50.9868,3.8
7747,L_kynurenine,bmse000172,1,202.7838,4.18
7748,L_kynurenine,bmse000172,2,176.9655,3.82
7749,L_kynurenine,bmse000172,3,153.0281,3.8
7750,L_kynurenine,bmse000172,4,138.3201,10.63
7751,L_kynurenine,bmse000172,5,134.0077,10.47
7752,L_kynurenine,bmse000172,6,120.7487,12.5
7753,L_kynurenine,bmse000172,7,120.1347,3.19
7754,L_kynurenine,bmse000172,8,119.5469,11.71
7755,L_kynurenine,bmse000172,9,53.4373,9.6
7756,L_kynurenine,bmse000172,10,53.3893,1.75
7757,L_kynurenine,bmse000172,11,41.6724,9.4
7758,4_hydroxyphenethyl_alcohol,bmse000173,1,156.5231,1.3
7759,4_hydroxyphenethyl_alcohol,bmse000173,2,133.6531,2.03
7760,4_hydroxyphenethyl_alcohol,bmse000173,3,133.0108,12.05
7761,4_hydroxyphenethyl_alcohol,bmse000173,4,118.0973,12.5
7762,4_hydroxyphenethyl_alcohol,bmse000173,5,65.4628,5.4
7763,4_hydroxyphenethyl_alcohol,bmse000173,6,39.6054,5.27
7764,L_glutathione_oxidized,bmse000170,1,179.0431,5.08
7765,L_glutathione_oxidized,bmse000170,2,177.7295,7.27
7766,L_glutathione_oxidized,bmse000170,3,176.8436,5.71
7767,L_glutathione_oxidized,bmse000170,4,174.576,7.14
7768,L_glutathione_oxidized,bmse000170,5,56.7983,12.5
7769,L_glutathione_oxidized,bmse000170,6,55.2962,6.93
7770,L_glutathione_oxidized,bmse000170,7,46.1769,10
7771,L_glutathione_oxidized,bmse000170,8,41.3939,5.3
7772,L_glutathione_oxidized,bmse000170,9,34.0976,8.71
7773,L_glutathione_oxidized,bmse000170,10,28.9834,9.22
7774,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,1,137.9087,2.24
7775,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,2,137.8673,2.37
7776,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,3,131.376,12.5
7777,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,4,131.3613,12.49
7778,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,5,130.699,5.71
7779,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,6,130.6797,5.71
7780,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,7,130.3647,10.88
7781,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,8,130.3201,11.19
7782,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,9,58.3213,5.52
7783,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,10,57.0571,5.41
7784,2_amino_5_ethyl_1_3_4_thiadiazole,bmse000176,1,168.4472,1.23
7785,2_amino_5_ethyl_1_3_4_thiadiazole,bmse000176,2,25.8692,12.5
7786,2_amino_5_ethyl_1_3_4_thiadiazole,bmse000176,3,15.8228,11.49
7787,indole_3_acetic_acid,bmse000177,1,184.4014,2.14
7788,indole_3_acetic_acid,bmse000177,2,138.8639,1.78
7789,indole_3_acetic_acid,bmse000177,3,129.8341,1.84
7790,indole_3_acetic_acid,bmse000177,4,126.7302,9.37
7791,indole_3_acetic_acid,bmse000177,5,124.4124,12.5
7792,indole_3_acetic_acid,bmse000177,6,121.7961,11.6
7793,indole_3_acetic_acid,bmse000177,7,121.3961,11.96
7794,indole_3_acetic_acid,bmse000177,8,114.4077,11.75
7795,indole_3_acetic_acid,bmse000177,9,113.0393,2.26
7796,indole_3_acetic_acid,bmse000177,10,36.6627,11.8
7797,5_acetylamino_2_nitrobenzoic_acid,bmse000174,1,177.1121,2.86
7798,5_acetylamino_2_nitrobenzoic_acid,bmse000174,2,175.8429,2.97
7799,5_acetylamino_2_nitrobenzoic_acid,bmse000174,3,146.1205,4.91
7800,5_acetylamino_2_nitrobenzoic_acid,bmse000174,4,142.1751,2.25
7801,5_acetylamino_2_nitrobenzoic_acid,bmse000174,5,140.3992,5.19
7802,5_acetylamino_2_nitrobenzoic_acid,bmse000174,6,135.1671,1.17
7803,5_acetylamino_2_nitrobenzoic_acid,bmse000174,7,128.5755,12.5
7804,5_acetylamino_2_nitrobenzoic_acid,bmse000174,8,122.2003,7.85
7805,5_acetylamino_2_nitrobenzoic_acid,bmse000174,9,120.5307,8.5
7806,5_acetylamino_2_nitrobenzoic_acid,bmse000174,10,26.0734,7.9
7807,inosine_5_monophosphate,bmse000175,1,161.425,3.75
7808,inosine_5_monophosphate,bmse000175,2,151.4802,4.81
7809,inosine_5_monophosphate,bmse000175,3,149.0993,9.26
7810,inosine_5_monophosphate,bmse000175,4,142.6513,8.28
7811,inosine_5_monophosphate,bmse000175,5,126.224,3.55
7812,inosine_5_monophosphate,bmse000175,6,90.0513,11.57
7813,inosine_5_monophosphate,bmse000175,7,87.5897,6.17
7814,inosine_5_monophosphate,bmse000175,8,87.5029,6.25
7815,inosine_5_monophosphate,bmse000175,9,77.4723,12.43
7816,inosine_5_monophosphate,bmse000175,10,73.3415,12.5
7817,inosine_5_monophosphate,bmse000175,11,66.1817,4.69
7818,inosine_5_monophosphate,bmse000175,12,66.1371,4.9
7819,acetylcholine,bmse000168,1,175.9351,1.7
7820,acetylcholine,bmse000168,2,67.2352,3.17
7821,acetylcholine,bmse000168,3,67.2022,3.69
7822,acetylcholine,bmse000168,4,67.1693,3.21
7823,acetylcholine,bmse000168,5,61.0489,9.91
7824,acetylcholine,bmse000168,6,56.5037,10.75
7825,acetylcholine,bmse000168,7,56.4653,12.5
7826,acetylcholine,bmse000168,8,56.4269,11.09
7827,acetylcholine,bmse000168,9,22.907,5.01
7828,L_selenomethionine,bmse000169,1,177.0007,2.6
7829,L_selenomethionine,bmse000169,2,57.4374,11.47
7830,L_selenomethionine,bmse000169,3,33.6291,11.68
7831,L_selenomethionine,bmse000169,4,21.9577,12.5
7832,L_selenomethionine,bmse000169,5,5.9908,6.84
7833,L_carnitine,bmse000211,1,180.7932,2.55
7834,L_carnitine,bmse000211,2,72.8484,3.55
7835,L_carnitine,bmse000211,3,72.8194,4.35
7836,L_carnitine,bmse000211,4,72.7905,3.77
7837,L_carnitine,bmse000211,5,66.787,9.83
7838,L_carnitine,bmse000211,6,56.8352,10.16
7839,L_carnitine,bmse000211,7,56.7971,12.5
7840,L_carnitine,bmse000211,8,56.7587,10.72
7841,L_carnitine,bmse000211,9,45.6836,6.68
7842,2_deoxyguanosine_5_triphosphate,bmse000210,1,161.5994,4.1
7843,2_deoxyguanosine_5_triphosphate,bmse000210,2,156.5483,6.62
7844,2_deoxyguanosine_5_triphosphate,bmse000210,3,153.9201,3.76
7845,2_deoxyguanosine_5_triphosphate,bmse000210,4,140.177,4.97
7846,2_deoxyguanosine_5_triphosphate,bmse000210,5,118.7094,3.56
7847,2_deoxyguanosine_5_triphosphate,bmse000210,6,88.3356,4.95
7848,2_deoxyguanosine_5_triphosphate,bmse000210,7,88.2497,5.03
7849,2_deoxyguanosine_5_triphosphate,bmse000210,8,86.1217,10.42
7850,2_deoxyguanosine_5_triphosphate,bmse000210,9,85.9663,1.24
8640,CoA,bmse000271,10,142.9347,4.88
7851,2_deoxyguanosine_5_triphosphate,bmse000210,10,73.5912,12.5
7852,2_deoxyguanosine_5_triphosphate,bmse000210,11,73.4257,1.36
7853,2_deoxyguanosine_5_triphosphate,bmse000210,12,68.0836,4.3
7854,2_deoxyguanosine_5_triphosphate,bmse000210,13,68.0298,4.01
7855,2_deoxyguanosine_5_triphosphate,bmse000210,14,60.1564,2.92
7856,2_deoxyguanosine_5_triphosphate,bmse000210,15,41.4696,9.7
7857,2_deoxyguanosine_5_triphosphate,bmse000210,16,19.5226,3.19
7858,L_glutathione_reduced,bmse000185,1,179.0844,3.34
7859,L_glutathione_reduced,bmse000185,2,177.7381,6.24
7860,L_glutathione_reduced,bmse000185,3,176.8762,4.09
7861,L_glutathione_reduced,bmse000185,4,174.517,4.49
7862,L_glutathione_reduced,bmse000185,5,58.485,9.28
7863,L_glutathione_reduced,bmse000185,6,56.8252,12.5
7864,L_glutathione_reduced,bmse000185,7,46.0594,11.98
7865,L_glutathione_reduced,bmse000185,8,34.0617,10.25
7866,L_glutathione_reduced,bmse000185,9,28.9279,10.05
7867,L_glutathione_reduced,bmse000185,10,28.2991,8.79
7868,L-ascorbate,bmse000182,1,180.3168,1.43
7869,L-ascorbate,bmse000182,2,178.4832,2.74
7870,L-ascorbate,bmse000182,3,115.802,1.21
7871,L-ascorbate,bmse000182,4,81.1004,12.5
7872,L-ascorbate,bmse000182,5,72.2534,11.82
7873,L-ascorbate,bmse000182,6,65.2522,10.99
7874,glycerol,bmse000184,1,74.7687,5.34
7875,glycerol,bmse000184,2,65.1855,12.5
7876,succinic_acid,bmse000183,1,185.1723,12.5
7877,diethyl_oxalacetate,bmse000148,1,175.4103,2.81
7878,diethyl_oxalacetate,bmse000148,2,174.3091,2.64
7879,diethyl_oxalacetate,bmse000148,3,173.4326,3.11
7880,diethyl_oxalacetate,bmse000148,4,168.1048,3.57
7881,diethyl_oxalacetate,bmse000148,5,163.0751,2.84
7882,diethyl_oxalacetate,bmse000148,6,107.9727,2.93
7883,diethyl_oxalacetate,bmse000148,7,66.4032,12.5
7884,diethyl_oxalacetate,bmse000148,8,64.8073,11.65
7885,diethyl_oxalacetate,bmse000148,9,63.2252,12.35
7886,diethyl_oxalacetate,bmse000148,10,60.1425,6.53
7887,diethyl_oxalacetate,bmse000148,11,19.5054,7.69
7888,diethyl_oxalacetate,bmse000148,12,16.4349,10.31
7889,diethyl_oxalacetate,bmse000148,13,16.0264,10.85
7890,diethyl_oxalacetate,bmse000148,14,15.8307,11.05
7891,diethyl_oxalacetate,bmse000148,15,8.3719,1.46
7892,methyl_4_aminobutyrate,bmse000249,1,178.332,2.3
7893,methyl_4_aminobutyrate,bmse000249,2,55.0318,9.91
7894,methyl_4_aminobutyrate,bmse000249,3,41.3931,9.31
7895,methyl_4_aminobutyrate,bmse000249,4,33.2371,12.5
7896,methyl_4_aminobutyrate,bmse000249,5,24.7364,10.01
7897,acetic_acid,bmse000191,1,25.9921,12.5
7898,DL_alpha_glycerol_phosphate,bmse000193,1,74.017,6.6
7899,DL_alpha_glycerol_phosphate,bmse000193,2,73.9509,6.61
7900,DL_alpha_glycerol_phosphate,bmse000193,3,67.5764,6.42
7901,DL_alpha_glycerol_phosphate,bmse000193,4,67.5279,6.33
7902,DL_alpha_glycerol_phosphate,bmse000193,5,64.9909,12.5
7903,L_arginine_L_glutamate,bmse000194,1,184.0271,2.62
7904,L_arginine_L_glutamate,bmse000194,2,177.3004,2.69
7905,L_arginine_L_glutamate,bmse000194,3,177.2486,3.51
7906,L_arginine_L_glutamate,bmse000194,4,159.5217,1.58
7907,L_arginine_L_glutamate,bmse000194,5,57.3276,11.34
7908,L_arginine_L_glutamate,bmse000194,6,56.9877,12.33
7909,L_arginine_L_glutamate,bmse000194,7,43.187,10.69
7910,L_arginine_L_glutamate,bmse000194,8,36.1773,12.5
7911,L_arginine_L_glutamate,bmse000194,9,30.2821,11.31
7912,L_arginine_L_glutamate,bmse000194,10,29.6813,11.66
7913,L_arginine_L_glutamate,bmse000194,11,26.565,9.36
7914,N_alpha_acetyl_DL_ornithine,bmse000195,1,181.278,2.84
7915,N_alpha_acetyl_DL_ornithine,bmse000195,2,176.3942,3.3
7916,N_alpha_acetyl_DL_ornithine,bmse000195,3,57.2647,12.5
7917,N_alpha_acetyl_DL_ornithine,bmse000195,4,41.7026,11.36
7918,N_alpha_acetyl_DL_ornithine,bmse000195,5,31.2562,11.58
7919,N_alpha_acetyl_DL_ornithine,bmse000195,6,26.1175,10.85
7920,N_alpha_acetyl_DL_ornithine,bmse000195,7,24.6039,9.43
7921,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,1,177.1802,4.22
7922,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,2,100.7816,12.14
7923,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,3,74.3693,12.5
7924,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,4,73.8173,11.87
7925,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,5,72.6604,11.86
7926,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,6,63.2442,9.78
7927,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,7,57.84,10.7
7928,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,8,56.3295,11.36
7929,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,9,24.5939,9.03
7930,N_acetyl_D_glucosamine_1_phosphate,bmse000197,1,177.4262,6.89
7931,N_acetyl_D_glucosamine_1_phosphate,bmse000197,2,95.5064,6.59
7932,N_acetyl_D_glucosamine_1_phosphate,bmse000197,3,95.4519,6.61
7933,N_acetyl_D_glucosamine_1_phosphate,bmse000197,4,74.8112,12.48
7934,N_acetyl_D_glucosamine_1_phosphate,bmse000197,5,74.1248,11.53
7935,N_acetyl_D_glucosamine_1_phosphate,bmse000197,6,72.717,12.5
7936,N_acetyl_D_glucosamine_1_phosphate,bmse000197,7,63.3991,10.48
7937,N_acetyl_D_glucosamine_1_phosphate,bmse000197,8,60.1385,1.19
7938,N_acetyl_D_glucosamine_1_phosphate,bmse000197,9,56.8941,6.31
8641,CoA,bmse000271,11,142.6212,6.68
7939,N_acetyl_D_glucosamine_1_phosphate,bmse000197,10,56.82,5.92
7940,N_acetyl_D_glucosamine_1_phosphate,bmse000197,11,24.8547,11.82
7941,N_acetyl_D_glucosamine_1_phosphate,bmse000197,12,19.5064,1.35
7942,6_phosphogluconic_acid,bmse000198,1,181.6058,3.57
7943,6_phosphogluconic_acid,bmse000198,2,76.871,10.24
7944,6_phosphogluconic_acid,bmse000198,3,74.5728,12.34
7945,6_phosphogluconic_acid,bmse000198,4,73.5923,12.5
7946,6_phosphogluconic_acid,bmse000198,5,73.3427,6.13
7947,6_phosphogluconic_acid,bmse000198,6,73.2817,6
7948,6_phosphogluconic_acid,bmse000198,7,67.8378,5.3
7949,6_phosphogluconic_acid,bmse000198,8,67.7897,5.02
7950,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,1,177.4856,7.09
7951,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,2,169.018,6.26
7952,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,3,154.5678,4.71
7953,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,4,144.3458,8.41
7954,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,5,105.3664,9.76
7955,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,6,97.2217,5.52
7956,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,7,97.1586,5.3
7957,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,8,91.2324,10.4
7958,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,9,85.9265,5.45
7959,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,10,85.8356,5.37
7960,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,11,76.5038,12.5
7961,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,12,75.7265,10.47
7962,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,13,73.618,9.4
7963,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,14,72.3363,12.03
7964,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,15,72.1894,10.68
7965,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,16,67.7104,4.06
7966,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,17,67.6547,4.21
7967,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,18,63.011,8.29
7968,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,19,56.4123,4.85
7969,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,20,56.3279,4.86
7970,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,21,24.8017,11.06
7971,D_glucosamine_6_phosphate,bmse000189,1,96.7641,3.96
7972,D_glucosamine_6_phosphate,bmse000189,2,92.5468,9.11
7973,D_glucosamine_6_phosphate,bmse000189,3,78.573,7.72
7974,D_glucosamine_6_phosphate,bmse000189,4,78.5029,8.09
7975,D_glucosamine_6_phosphate,bmse000189,5,75.3,3.82
7976,D_glucosamine_6_phosphate,bmse000189,6,74.241,8.9
7977,D_glucosamine_6_phosphate,bmse000189,7,74.1735,8.79
7978,D_glucosamine_6_phosphate,bmse000189,8,72.61,7.6
7979,D_glucosamine_6_phosphate,bmse000189,9,72.216,8.01
7980,D_glucosamine_6_phosphate,bmse000189,10,72.0861,11.81
7981,D_glucosamine_6_phosphate,bmse000189,11,65.6945,5.67
7982,D_glucosamine_6_phosphate,bmse000189,12,65.5318,8.2
7983,D_glucosamine_6_phosphate,bmse000189,13,59.9922,8.37
7984,D_glucosamine_6_phosphate,bmse000189,14,57.442,12.5
7985,N_acetyl_D_glucosamine_6_phosphate,bmse000205,1,177.6459,3.99
7986,N_acetyl_D_glucosamine_6_phosphate,bmse000205,2,177.3558,6.21
7987,N_acetyl_D_glucosamine_6_phosphate,bmse000205,3,97.9785,9.64
7988,N_acetyl_D_glucosamine_6_phosphate,bmse000205,4,93.8355,12.5
7989,N_acetyl_D_glucosamine_6_phosphate,bmse000205,5,78.3788,4.55
7990,N_acetyl_D_glucosamine_6_phosphate,bmse000205,6,78.3082,5
7991,N_acetyl_D_glucosamine_6_phosphate,bmse000205,7,76.3335,8.77
7992,N_acetyl_D_glucosamine_6_phosphate,bmse000205,8,74.1312,5.77
7993,N_acetyl_D_glucosamine_6_phosphate,bmse000205,9,74.0636,5.71
7994,N_acetyl_D_glucosamine_6_phosphate,bmse000205,10,73.273,9.62
7995,N_acetyl_D_glucosamine_6_phosphate,bmse000205,11,72.5985,6.43
7996,N_acetyl_D_glucosamine_6_phosphate,bmse000205,12,72.4066,4.3
7997,N_acetyl_D_glucosamine_6_phosphate,bmse000205,13,65.8183,6.34
7998,N_acetyl_D_glucosamine_6_phosphate,bmse000205,14,59.7314,6.92
7999,N_acetyl_D_glucosamine_6_phosphate,bmse000205,15,57.09,11.32
8000,N_acetyl_D_glucosamine_6_phosphate,bmse000205,16,25.09,7.17
8001,N_acetyl_D_glucosamine_6_phosphate,bmse000205,17,24.8284,8.82
8002,N_acetyl_D_glucosamine_6_phosphate,bmse000205,18,24.6366,2.13
8003,N_acetyl_D_glucosamine_6_phosphate,bmse000205,19,8.3826,2.3
8004,formate,bmse000203,1,173.8915,12.5
8005,HEPES,bmse000202,1,60.8048,5.44
8006,HEPES,bmse000202,2,58.5772,7.51
8007,HEPES,bmse000202,3,54.5149,8.11
8008,HEPES,bmse000202,4,54.0844,12.5
8009,HEPES,bmse000202,5,52.383,11.07
8010,HEPES,bmse000202,6,50.0053,7.83
8011,D_citrulline,bmse000209,1,177.3935,5.6
8012,D_citrulline,bmse000209,2,164.2858,1.35
8013,D_citrulline,bmse000209,3,57.1942,10.87
8014,D_citrulline,bmse000209,4,41.9172,1.9
8015,D_citrulline,bmse000209,5,30.442,12.5
8016,D_citrulline,bmse000209,6,27.6603,6.22
8017,tryptamine,bmse000207,1,139.1467,1.96
8018,tryptamine,bmse000207,2,129.1548,2.05
8019,tryptamine,bmse000207,3,127.0515,9.42
8020,tryptamine,bmse000207,4,124.8771,12.23
8021,tryptamine,bmse000207,5,122.1292,11.7
8022,tryptamine,bmse000207,6,121.0332,11.62
8023,tryptamine,bmse000207,7,114.7782,11.66
8024,tryptamine,bmse000207,8,111.7871,2.5
8025,tryptamine,bmse000207,9,42.4461,10.28
8026,tryptamine,bmse000207,10,25.3872,12.5
8027,caffeine,bmse000206,1,158.3677,2.3
8028,caffeine,bmse000206,2,154.8444,2.1
8029,caffeine,bmse000206,3,150.6943,2.53
8030,caffeine,bmse000206,4,146.1726,12.5
8031,caffeine,bmse000206,5,109.992,1.93
8032,caffeine,bmse000206,6,36.1671,12
8033,caffeine,bmse000206,7,32.5176,11.72
8034,caffeine,bmse000206,8,30.6092,12.15
8035,DL_serine,bmse000222,1,175.1858,1.49
8036,DL_serine,bmse000222,2,62.8818,12.5
8037,DL_serine,bmse000222,3,59.0696,9.18
8038,kanamycin,bmse000201,1,103.0882,11.25
8039,kanamycin,bmse000201,2,99.3708,11.19
8040,kanamycin,bmse000201,3,87.4547,11.03
8041,kanamycin,bmse000201,4,82.3518,10.12
8042,kanamycin,bmse000201,5,76.1335,11.05
8043,kanamycin,bmse000201,6,75.2746,11.27
8044,kanamycin,bmse000201,7,74.8051,11.96
8045,kanamycin,bmse000201,8,73.8216,11.92
8046,kanamycin,bmse000201,9,73.7132,12.5
8047,kanamycin,bmse000201,10,71.3274,11.8
8048,kanamycin,bmse000201,11,71.2135,10.89
8049,kanamycin,bmse000201,12,68.4669,11.25
8050,kanamycin,bmse000201,13,62.5738,8.79
8051,kanamycin,bmse000201,14,57.6876,10.31
8052,kanamycin,bmse000201,15,52.8142,10.87
8053,kanamycin,bmse000201,16,50.8624,10.67
8054,kanamycin,bmse000201,17,43.1772,9.79
8055,kanamycin,bmse000201,18,32.4006,6.43
8056,D_galacturonic_acid,bmse000216,1,178.7328,1.92
8057,D_galacturonic_acid,bmse000216,2,177.8683,2.95
8058,D_galacturonic_acid,bmse000216,3,103.6266,1.14
8059,D_galacturonic_acid,bmse000216,4,98.6973,11.64
8060,D_galacturonic_acid,bmse000216,5,94.8821,8.1
8061,D_galacturonic_acid,bmse000216,6,86.1096,1.16
8062,D_galacturonic_acid,bmse000216,7,83.8927,1.25
8063,D_galacturonic_acid,bmse000216,8,78.2191,12.5
8064,D_galacturonic_acid,bmse000216,9,75.5921,12.15
8065,D_galacturonic_acid,bmse000216,10,74.2733,11.54
8066,D_galacturonic_acid,bmse000216,11,74.0687,8.3
8067,D_galacturonic_acid,bmse000216,12,73.5175,7.92
8068,D_galacturonic_acid,bmse000216,13,73.4128,1.2
8069,D_galacturonic_acid,bmse000216,14,73.0403,11.9
8070,D_galacturonic_acid,bmse000216,15,72.0425,8.11
8071,D_galacturonic_acid,bmse000216,16,70.7295,8.19
8072,melibiose,bmse000215,1,100.9074,4.94
8073,melibiose,bmse000215,2,100.8624,8.18
8074,melibiose,bmse000215,3,98.7735,7.77
8075,melibiose,bmse000215,4,94.8936,4.8
8076,melibiose,bmse000215,5,78.5818,7.92
8077,melibiose,bmse000215,6,77.0481,7.86
8078,melibiose,bmse000215,7,76.7432,7.91
8079,melibiose,bmse000215,8,75.641,4.51
8080,melibiose,bmse000215,9,74.115,4.66
8081,melibiose,bmse000215,10,73.6521,8.63
8082,melibiose,bmse000215,11,72.7897,4.38
8083,melibiose,bmse000215,12,72.2675,4.58
8084,melibiose,bmse000215,13,72.1681,11.13
8085,melibiose,bmse000215,14,72.1168,8.41
8086,melibiose,bmse000215,15,71.8969,12.5
8087,melibiose,bmse000215,16,71.1809,5.01
8088,melibiose,bmse000215,17,71.1499,8
8089,melibiose,bmse000215,18,68.5997,3.4
8090,melibiose,bmse000215,19,68.5048,5.74
8091,melibiose,bmse000215,20,63.7993,7.48
8092,raffinose,bmse000221,1,106.4984,12
8093,raffinose,bmse000221,2,101.1619,11.75
8094,raffinose,bmse000221,3,94.8107,10.5
8095,raffinose,bmse000221,4,84.0386,10.37
8096,raffinose,bmse000221,5,78.9908,10.66
8097,raffinose,bmse000221,6,76.6708,10.74
8098,raffinose,bmse000221,7,75.3481,10.62
8099,raffinose,bmse000221,8,74.0893,10.03
8100,raffinose,bmse000221,9,73.7298,10.76
8101,raffinose,bmse000221,10,73.6491,10.76
8102,raffinose,bmse000221,11,72.1375,11.45
8103,raffinose,bmse000221,12,72.0811,10.61
8104,raffinose,bmse000221,13,71.8977,12.5
8105,raffinose,bmse000221,14,71.1782,10.63
8106,raffinose,bmse000221,15,68.5609,7.4
8107,raffinose,bmse000221,16,65.174,9.27
8108,raffinose,bmse000221,17,64.0591,8.59
8109,raffinose,bmse000221,18,63.8064,10.78
8110,phenylacetic_acid,bmse000220,1,140.0132,1.48
8111,phenylacetic_acid,bmse000220,2,131.8678,12.4
8112,phenylacetic_acid,bmse000220,3,131.3739,12.5
8113,phenylacetic_acid,bmse000220,4,129.1624,7.27
8114,phenylacetic_acid,bmse000220,5,47.1763,7.68
8115,quinolinic_acid,bmse000219,1,151.0633,4.64
8116,quinolinic_acid,bmse000219,2,139.9295,12.5
8117,quinolinic_acid,bmse000219,3,134.2225,1.66
8118,quinolinic_acid,bmse000219,4,126.3609,1.43
8119,L_arabinose,bmse000213,1,99.4707,11.84
8120,L_arabinose,bmse000213,2,95.2773,6.36
8121,L_arabinose,bmse000213,3,85.6557,1.01
8122,L_arabinose,bmse000213,4,75.1558,12.46
8123,L_arabinose,bmse000213,5,74.5445,11.65
8124,L_arabinose,bmse000213,6,71.3975,5.23
8125,L_arabinose,bmse000213,7,71.291,6.33
8126,L_arabinose,bmse000213,8,71.19,12.5
8127,L_arabinose,bmse000213,9,71.1316,6.46
8128,L_arabinose,bmse000213,10,69.092,10.76
8129,L_arabinose,bmse000213,11,65.1629,5.63
8130,L_arabinose,bmse000213,12,63.7809,1.01
8131,maleic_acid,bmse000212,1,178.0156,12.5
8132,maleic_acid,bmse000212,2,138.0455,2.52
8133,trimethylamine,bmse000224,1,47.3627,12.5
8134,FAD,bmse000226,1,164.0687,6.03
8135,FAD,bmse000226,2,160.4644,6.44
8136,FAD,bmse000226,3,157.4008,5.27
8137,FAD,bmse000226,4,155.0401,6.79
8138,FAD,bmse000226,5,153.2024,6.31
8139,FAD,bmse000226,6,152.7018,4.88
8140,FAD,bmse000226,7,150.7506,8.42
8141,FAD,bmse000226,8,141.8033,9.25
8142,FAD,bmse000226,9,137.3022,7.38
8143,FAD,bmse000226,10,136.7199,6.9
8144,FAD,bmse000226,11,134.1126,5.24
8145,FAD,bmse000226,12,133.1145,6.31
8146,FAD,bmse000226,13,120.4006,4.97
8147,FAD,bmse000226,14,119.1392,5.98
8148,FAD,bmse000226,15,89.8286,8.42
8149,FAD,bmse000226,16,86.1706,4.9
8150,FAD,bmse000226,17,77.5902,9.53
8151,FAD,bmse000226,18,75.1902,7.63
8152,FAD,bmse000226,19,73.8874,4.74
8153,FAD,bmse000226,20,72.6742,9.77
8154,FAD,bmse000226,21,72.0204,7.14
8155,FAD,bmse000226,22,49.8304,4.6
8156,FAD,bmse000226,23,23.4503,12.23
8157,FAD,bmse000226,24,21.3064,12.5
8158,biotin,bmse000227,1,186.5202,3.08
8159,biotin,bmse000227,2,168.1155,1.31
8160,biotin,bmse000227,3,64.7083,11.47
8161,biotin,bmse000227,4,62.9655,10.94
8162,biotin,bmse000227,5,58.0656,12.5
8163,biotin,bmse000227,6,42.4481,10.02
8164,biotin,bmse000227,7,40.0331,11.31
8165,biotin,bmse000227,8,30.9897,10.73
8166,biotin,bmse000227,9,30.4007,10.87
8167,biotin,bmse000227,10,28.3888,11.03
8168,L_malic_acid,bmse000238,1,183.7653,2.22
8169,L_malic_acid,bmse000238,2,182.5621,2.11
8170,L_malic_acid,bmse000238,3,73.0565,11
8171,L_malic_acid,bmse000238,4,45.325,12.5
8172,DL_pipecolic_acid,bmse000237,1,177.3687,2.02
8173,DL_pipecolic_acid,bmse000237,2,61.7014,10.46
8174,DL_pipecolic_acid,bmse000237,3,46.3684,11.14
8175,DL_pipecolic_acid,bmse000237,4,29.2254,12.03
8176,DL_pipecolic_acid,bmse000237,5,24.5183,12.5
8177,DL_pipecolic_acid,bmse000237,6,24.2597,11.72
8178,alpha_naphthoic_acid,bmse000178,1,180.9525,1.22
8179,alpha_naphthoic_acid,bmse000178,2,140.3164,2.38
8180,alpha_naphthoic_acid,bmse000178,3,136.0023,3.43
8181,alpha_naphthoic_acid,bmse000178,4,131.8378,2.83
8182,alpha_naphthoic_acid,bmse000178,5,131.5775,11.93
8183,alpha_naphthoic_acid,bmse000178,6,130.9661,12.32
8184,alpha_naphthoic_acid,bmse000178,7,129.4469,11.78
8185,alpha_naphthoic_acid,bmse000178,8,128.9278,12.24
8186,alpha_naphthoic_acid,bmse000178,9,128.3008,11.2
8187,alpha_naphthoic_acid,bmse000178,10,128.1263,11.47
8188,alpha_naphthoic_acid,bmse000178,11,126.9179,12.5
8189,L_lactic_acid,bmse000208,1,185.2568,1.47
8190,L_lactic_acid,bmse000208,2,71.1986,10.31
8191,L_lactic_acid,bmse000208,3,22.7605,12.5
8192,thymidine,bmse000244,1,169.2606,1.96
8193,thymidine,bmse000244,2,154.4362,2.17
8194,thymidine,bmse000244,3,140.2111,10.41
8195,thymidine,bmse000244,4,114.1556,4.85
8196,thymidine,bmse000244,5,89.1962,12.5
8197,thymidine,bmse000244,6,87.7135,11.37
8198,thymidine,bmse000244,7,73.1301,12.1
8199,thymidine,bmse000244,8,63.8632,10.49
8200,thymidine,bmse000244,9,41.1957,10.46
8201,thymidine,bmse000244,10,14.2614,10.1
8202,citraconic_acid,bmse000199,1,182.5855,1.19
8203,citraconic_acid,bmse000199,2,177.0006,1.62
8204,citraconic_acid,bmse000199,3,150.7235,3.14
8205,citraconic_acid,bmse000199,4,122.9987,12.5
8206,citraconic_acid,bmse000199,5,23.083,10.26
8207,homogentisic_acid,bmse000200,1,183.4495,2.25
8208,homogentisic_acid,bmse000200,2,151.5798,3.49
8209,homogentisic_acid,bmse000200,3,150.3577,2.71
8210,homogentisic_acid,bmse000200,4,128.3103,4.07
8211,homogentisic_acid,bmse000200,5,120.3611,12.12
8212,homogentisic_acid,bmse000200,6,119.7948,12.5
8213,homogentisic_acid,bmse000200,7,117.1989,12.11
8214,homogentisic_acid,bmse000200,8,42.6626,11.69
8215,isonicotinic_acid,bmse000133,1,152.265,11.27
8216,isonicotinic_acid,bmse000133,2,143.3482,1.49
8217,isonicotinic_acid,bmse000133,3,124.3227,12.5
8218,homovanillic_acid,bmse000132,1,184.0342,2.31
8219,homovanillic_acid,bmse000132,2,149.9125,2.75
8220,homovanillic_acid,bmse000132,3,145.8277,2.64
8221,homovanillic_acid,bmse000132,4,132.7556,4.92
8222,homovanillic_acid,bmse000132,5,124.6363,12.01
8223,homovanillic_acid,bmse000132,6,118.1634,12.5
8224,homovanillic_acid,bmse000132,7,116.1596,11.86
8225,homovanillic_acid,bmse000132,8,58.5972,11.89
8226,homovanillic_acid,bmse000132,9,46.5865,11.75
8227,cyanuric_acid,bmse000135,1,158.7585,12.5
8228,ethacrynic_acid,bmse000134,1,202.3118,4.43
8229,ethacrynic_acid,bmse000134,2,177.9826,5
8230,ethacrynic_acid,bmse000134,3,158.7271,7.04
8231,ethacrynic_acid,bmse000134,4,152.4416,9.11
8232,ethacrynic_acid,bmse000134,5,134.6377,7.45
8233,ethacrynic_acid,bmse000134,6,134.3055,7.14
8234,ethacrynic_acid,bmse000134,7,133.1034,4.2
8235,ethacrynic_acid,bmse000134,8,130.6445,11.98
8236,ethacrynic_acid,bmse000134,9,124.6188,3.16
8237,ethacrynic_acid,bmse000134,10,113.5528,12.1
8238,ethacrynic_acid,bmse000134,11,70.3721,12.5
8239,ethacrynic_acid,bmse000134,12,25.8093,12.14
8240,ethacrynic_acid,bmse000134,13,14.5372,10.57
8241,itaconic_acid,bmse000137,1,183.4319,1.66
8242,itaconic_acid,bmse000137,2,144.4598,3.08
8243,itaconic_acid,bmse000137,3,124.7498,11.94
8244,itaconic_acid,bmse000137,4,44.7199,12.5
8245,amygdalin,bmse000139,1,135.1591,3.04
8246,amygdalin,bmse000139,2,133.2211,4.82
8247,amygdalin,bmse000139,3,132.0805,12.5
8248,amygdalin,bmse000139,4,130.5071,12.26
8249,amygdalin,bmse000139,5,121.2539,2.79
8250,amygdalin,bmse000139,6,105.5549,5
8251,amygdalin,bmse000139,7,104.1485,4.67
8252,amygdalin,bmse000139,8,78.6035,5.33
8253,amygdalin,bmse000139,9,78.2945,5.19
8254,amygdalin,bmse000139,10,78.182,4.9
8255,amygdalin,bmse000139,11,78.0819,4.95
8256,amygdalin,bmse000139,12,75.9,5.09
8257,amygdalin,bmse000139,13,75.4567,4.78
8258,amygdalin,bmse000139,14,72.369,5.36
8259,amygdalin,bmse000139,15,71.8621,4.67
8260,amygdalin,bmse000139,16,71.7644,5.77
8261,amygdalin,bmse000139,17,70.9831,3.34
8262,amygdalin,bmse000139,18,63.4233,3.79
8263,D_cellobiose,bmse000138,1,105.2663,8.21
8264,D_cellobiose,bmse000138,2,105.2381,5.61
8265,D_cellobiose,bmse000138,3,98.4528,7.32
8266,D_cellobiose,bmse000138,4,94.5197,4.61
8267,D_cellobiose,bmse000138,5,81.4215,4.68
8268,D_cellobiose,bmse000138,6,81.2838,7.67
8269,D_cellobiose,bmse000138,7,78.6932,12.12
8270,D_cellobiose,bmse000138,8,78.1874,12.5
8271,D_cellobiose,bmse000138,9,77.5013,7.76
8272,D_cellobiose,bmse000138,10,76.9856,7.78
8273,D_cellobiose,bmse000138,11,76.5907,7.38
8274,D_cellobiose,bmse000138,12,75.8703,9.08
8275,D_cellobiose,bmse000138,13,74.0348,4.8
8276,D_cellobiose,bmse000138,14,73.925,5.13
8277,D_cellobiose,bmse000138,15,72.8163,4.72
8278,D_cellobiose,bmse000138,16,72.1615,6.12
8279,D_cellobiose,bmse000138,17,72.1439,8.59
8280,D_cellobiose,bmse000138,18,63.2643,6.56
8281,D_cellobiose,bmse000138,19,62.74,5.36
8282,D_cellobiose,bmse000138,20,62.606,3.56
8283,gamma_D_galactonolactone,bmse000141,1,178.7234,2.86
8284,gamma_D_galactonolactone,bmse000141,2,82.7298,12.5
8285,gamma_D_galactonolactone,bmse000141,3,76.4007,12.48
8286,gamma_D_galactonolactone,bmse000141,4,75.5187,12.19
8287,gamma_D_galactonolactone,bmse000141,5,74.2346,3.63
8288,gamma_D_galactonolactone,bmse000141,6,74.0161,3.26
8289,gamma_D_galactonolactone,bmse000141,7,72.7812,3.45
8290,gamma_D_galactonolactone,bmse000141,8,72.4324,3.36
8291,gamma_D_galactonolactone,bmse000141,9,71.5773,12.34
8292,gamma_D_galactonolactone,bmse000141,10,66.0277,3.07
8293,gamma_D_galactonolactone,bmse000141,11,64.6899,11.19
8294,D_glucuronate,bmse000140,1,179.6525,1.52
8295,D_glucuronate,bmse000140,2,178.6724,2.78
8296,D_glucuronate,bmse000140,3,98.5755,11.73
8297,D_glucuronate,bmse000140,4,94.8123,7.69
8298,D_glucuronate,bmse000140,5,78.959,12.5
8299,D_glucuronate,bmse000140,6,78.2467,11.99
8300,D_glucuronate,bmse000140,7,76.6906,11.59
8301,D_glucuronate,bmse000140,8,75.2591,7.37
8302,D_glucuronate,bmse000140,9,74.8051,6.93
8303,D_glucuronate,bmse000140,10,74.5748,8
8304,D_glucuronate,bmse000140,11,74.5431,12.46
8305,D_glucuronate,bmse000140,12,73.9985,7.55
8306,L_gulonolactone,bmse000235,1,180.7006,2.42
8307,L_gulonolactone,bmse000235,2,84.0626,11.74
8308,L_gulonolactone,bmse000235,3,76.1965,2.96
8309,L_gulonolactone,bmse000235,4,75.331,3.02
8310,L_gulonolactone,bmse000235,5,74.9955,3.01
8311,L_gulonolactone,bmse000235,6,73.5223,12.5
8312,L_gulonolactone,bmse000235,7,73.1631,3.21
8313,L_gulonolactone,bmse000235,8,72.7983,12.19
8314,L_gulonolactone,bmse000235,9,72.2798,12.42
8315,L_gulonolactone,bmse000235,10,65.2205,2.74
8316,L_gulonolactone,bmse000235,11,64.1843,11.09
8317,glycogen,bmse000232,1,102.5103,8.96
8318,glycogen,bmse000232,2,79.5505,5.53
8319,glycogen,bmse000232,3,75.5834,9.32
8320,glycogen,bmse000232,4,74.2061,12.5
8321,glycogen,bmse000232,5,72.0454,4.53
8322,glycogen,bmse000232,6,63.2055,9.29
8323,melibiose,bmse000233,1,100.9084,5.19
8324,melibiose,bmse000233,2,100.8632,7.98
8325,melibiose,bmse000233,3,98.7735,7.66
8326,melibiose,bmse000233,4,94.8931,4.76
8327,melibiose,bmse000233,5,78.5818,7.97
8328,melibiose,bmse000233,6,77.0484,7.73
8329,melibiose,bmse000233,7,76.7428,7.76
8330,melibiose,bmse000233,8,75.6402,4.58
8331,melibiose,bmse000233,9,74.1149,4.63
8332,melibiose,bmse000233,10,73.6528,8.49
8333,melibiose,bmse000233,11,72.7893,4.29
8334,melibiose,bmse000233,12,72.267,4.52
8335,melibiose,bmse000233,13,72.1674,11.07
8336,melibiose,bmse000233,14,72.1167,8.55
8337,melibiose,bmse000233,15,71.8963,12.5
8338,melibiose,bmse000233,16,71.1803,5.19
8339,melibiose,bmse000233,17,71.1491,7.83
8340,melibiose,bmse000233,18,68.5995,3.44
8341,melibiose,bmse000233,19,68.5046,5.7
8342,melibiose,bmse000233,20,63.7983,7.42
8343,D_glucono_1_5_lactone,bmse000230,1,181.2312,2.98
8344,D_glucono_1_5_lactone,bmse000230,2,76.6877,12.5
8345,D_glucono_1_5_lactone,bmse000230,3,75.204,12.42
8346,D_glucono_1_5_lactone,bmse000230,4,73.8622,12.42
8347,D_glucono_1_5_lactone,bmse000230,5,73.6372,12.42
8348,D_glucono_1_5_lactone,bmse000230,6,65.3046,10.99
8349,N_acetyl_D_glucosamine,bmse000231,1,177.4899,2.8
8350,N_acetyl_D_glucosamine,bmse000231,2,177.2462,4.07
8351,N_acetyl_D_glucosamine,bmse000231,3,97.6343,8.26
8352,N_acetyl_D_glucosamine,bmse000231,4,93.5456,12.5
8353,N_acetyl_D_glucosamine,bmse000231,5,78.6606,9.02
8354,N_acetyl_D_glucosamine,bmse000231,6,76.5921,8.56
8355,N_acetyl_D_glucosamine,bmse000231,7,74.2719,12.4
8356,N_acetyl_D_glucosamine,bmse000231,8,73.3628,12.21
8357,N_acetyl_D_glucosamine,bmse000231,9,72.7507,12.34
8358,N_acetyl_D_glucosamine,bmse000231,10,72.5242,8.84
8359,N_acetyl_D_glucosamine,bmse000231,11,63.4249,7.22
8360,N_acetyl_D_glucosamine,bmse000231,12,63.2564,10.49
8361,N_acetyl_D_glucosamine,bmse000231,13,59.3824,8.25
8362,N_acetyl_D_glucosamine,bmse000231,14,56.8002,11.86
8363,N_acetyl_D_glucosamine,bmse000231,15,24.8865,6.38
8364,N_acetyl_D_glucosamine,bmse000231,16,24.609,9.19
8365,polygalacturonic_acid,bmse000228,1,178.1914,12.5
8366,polygalacturonic_acid,bmse000228,2,101.6522,9.97
8367,polygalacturonic_acid,bmse000228,3,80.5569,9.65
8368,polygalacturonic_acid,bmse000228,4,73.9772,8.45
8369,polygalacturonic_acid,bmse000228,5,71.4996,8.28
8370,polygalacturonic_acid,bmse000228,6,70.7598,8.29
8371,polygalacturonic_acid,bmse000228,7,26.4074,3.65
8372,D_saccharate,bmse000239,1,181.3679,2.13
8373,D_saccharate,bmse000239,2,181.237,1.95
8374,D_saccharate,bmse000239,3,76.4264,11.96
8375,D_saccharate,bmse000239,4,76.4165,12.5
8376,D_saccharate,bmse000239,5,76.2846,9.51
8377,D_saccharate,bmse000239,6,74.3621,9.95
8378,stachyose,bmse000240,1,106.5168,12.21
8379,stachyose,bmse000240,2,101.06,8.92
8380,stachyose,bmse000240,3,100.7169,10.76
8381,stachyose,bmse000240,4,94.8219,8.89
8382,stachyose,bmse000240,5,84.0524,9.16
8383,stachyose,bmse000240,6,78.9976,9.04
8384,stachyose,bmse000240,7,76.6795,9.2
8385,stachyose,bmse000240,8,75.4111,9
8386,stachyose,bmse000240,9,73.9757,8.23
8387,stachyose,bmse000240,10,73.7006,10.47
8388,stachyose,bmse000240,11,73.6476,9.63
8389,stachyose,bmse000240,12,72.1972,12.5
8390,stachyose,bmse000240,13,72.173,10.25
8391,stachyose,bmse000240,14,72.0684,10.06
8392,stachyose,bmse000240,15,72.0362,10.92
8393,stachyose,bmse000240,16,71.9303,12.49
8394,stachyose,bmse000240,17,71.5019,8.73
8395,stachyose,bmse000240,18,71.1393,9.07
8396,stachyose,bmse000240,19,70.9835,10.63
8397,stachyose,bmse000240,20,69.1734,6.48
8398,stachyose,bmse000240,21,68.5201,5.87
8399,stachyose,bmse000240,22,65.1886,8.65
8400,stachyose,bmse000240,23,64.0756,7.23
8401,stachyose,bmse000240,24,63.8499,10.36
8402,L_tartaric_acid,bmse000167,1,181.2992,12.5
8403,D_xylonate_cadmium,bmse000166,1,181.2863,3.14
8404,D_xylonate_cadmium,bmse000166,2,75.334,10.18
8405,D_xylonate_cadmium,bmse000166,3,75.0844,12.5
8406,D_xylonate_cadmium,bmse000166,4,65.059,9.59
8407,N_acetyl_D_glucosamine_1_phosphate,bmse000163,1,177.4252,6.68
8408,N_acetyl_D_glucosamine_1_phosphate,bmse000163,2,95.4941,6.42
8409,N_acetyl_D_glucosamine_1_phosphate,bmse000163,3,95.4396,6.74
8410,N_acetyl_D_glucosamine_1_phosphate,bmse000163,4,74.801,12.35
8411,N_acetyl_D_glucosamine_1_phosphate,bmse000163,5,74.139,11.43
8412,N_acetyl_D_glucosamine_1_phosphate,bmse000163,6,72.7232,12.5
8413,N_acetyl_D_glucosamine_1_phosphate,bmse000163,7,63.4049,10.26
8414,N_acetyl_D_glucosamine_1_phosphate,bmse000163,8,60.1376,1.31
8415,N_acetyl_D_glucosamine_1_phosphate,bmse000163,9,56.8998,5.8
8416,N_acetyl_D_glucosamine_1_phosphate,bmse000163,10,56.8264,6.12
8417,N_acetyl_D_glucosamine_1_phosphate,bmse000163,11,24.8578,11.78
8418,N_acetyl_D_glucosamine_1_phosphate,bmse000163,12,19.5062,1.22
8419,L_ornithine,bmse000162,1,177.052,2.52
8420,L_ornithine,bmse000162,2,56.8032,12.42
8421,L_ornithine,bmse000162,3,41.5581,10.67
8422,L_ornithine,bmse000162,4,30.183,12.5
8423,L_ornithine,bmse000162,5,25.4674,10.78
8424,D_alanine,bmse000236,1,178.5839,1.59
8425,D_alanine,bmse000236,2,53.2011,9.79
8426,D_alanine,bmse000236,3,18.8519,12.5
8427,4_nitrophenol,bmse000223,1,130.0111,12.5
8428,4_nitrophenol,bmse000223,2,129.9947,12.29
8429,4_nitrophenol,bmse000223,3,120.3011,8.51
8430,4_nitrophenol,bmse000223,4,120.2591,10.79
8431,D_L_glyceraldehyde,bmse000225,1,92.4597,11.03
8432,D_L_glyceraldehyde,bmse000225,2,76.7639,11.48
8433,D_L_glyceraldehyde,bmse000225,3,64.6759,12.5
8434,4_hydroxycinnamic_acid,bmse000150,1,178.908,1.38
8435,4_hydroxycinnamic_acid,bmse000150,2,159.818,1.85
8436,4_hydroxycinnamic_acid,bmse000150,3,143.5246,4.55
8437,4_hydroxycinnamic_acid,bmse000150,4,132.2994,11.74
8438,4_hydroxycinnamic_acid,bmse000150,5,130.1932,2.25
8439,4_hydroxycinnamic_acid,bmse000150,6,124.1229,4.91
8440,4_hydroxycinnamic_acid,bmse000150,7,118.5321,12.5
8441,alpha_D_galactose_1_phosphate,bmse000151,1,96.62,5.96
8442,alpha_D_galactose_1_phosphate,bmse000151,2,96.566,5.93
8443,alpha_D_galactose_1_phosphate,bmse000151,3,73.8281,11.4
8444,alpha_D_galactose_1_phosphate,bmse000151,4,72.304,10.42
8445,alpha_D_galactose_1_phosphate,bmse000151,5,72.1558,12.5
8446,alpha_D_galactose_1_phosphate,bmse000151,6,71.7402,5.87
8447,alpha_D_galactose_1_phosphate,bmse000151,7,71.6737,5.84
8448,alpha_D_galactose_1_phosphate,bmse000151,8,64.0705,10.09
8449,dAMP,bmse000250,1,155.0627,3.71
8450,dAMP,bmse000250,2,142.9366,3.42
8451,dAMP,bmse000250,3,90.1821,11.54
8452,dAMP,bmse000250,4,87.3797,7.1
8453,dAMP,bmse000250,5,74.0139,10.26
8454,dAMP,bmse000250,6,64.4148,12.5
8455,dAMP,bmse000250,7,41.7694,7.82
8456,Oxalosuccinate,bmse000251,1,184.1371,2.15
8457,Oxalosuccinate,bmse000251,2,172.7664,1.95
8458,Oxalosuccinate,bmse000251,3,52.8383,1.48
8459,Oxalosuccinate,bmse000251,4,38.5758,5.93
8460,Oxalosuccinate,bmse000251,5,38.454,1.48
8461,Oxalosuccinate,bmse000251,6,38.2644,1.54
8462,Oxalosuccinate,bmse000251,7,38.0683,1.39
8463,Oxalosuccinate,bmse000251,8,36.9355,3.83
8464,Oxalosuccinate,bmse000251,9,35.3007,1.19
8465,Oxalosuccinate,bmse000251,10,34.9692,1.16
8466,Oxalosuccinate,bmse000251,11,33.3147,5.48
8467,Oxalosuccinate,bmse000251,12,33.2611,6.95
8468,Oxalosuccinate,bmse000251,13,33.2048,12.5
8469,Oxalosuccinate,bmse000251,14,25.9719,1.99
8470,Salicylate,bmse000252,1,178.336,1.8
8471,Salicylate,bmse000252,2,162.3095,1.9
8472,Salicylate,bmse000252,3,136.7054,12.5
8473,Salicylate,bmse000252,4,133.2002,11.8
8474,Salicylate,bmse000252,5,122.0978,11.69
8475,Salicylate,bmse000252,6,120.713,2.32
8476,Salicylate,bmse000252,7,119.007,12.31
8477,dADP,bmse000253,1,158.1421,4.9
8478,dADP,bmse000253,2,155.3005,9.18
8479,dADP,bmse000253,3,151.2181,2.23
8480,dADP,bmse000253,4,142.6258,3.6
8481,dADP,bmse000253,5,121.1832,1.88
8482,dADP,bmse000253,6,88.4189,5.03
8483,dADP,bmse000253,7,88.3329,5.02
8484,dADP,bmse000253,8,86.1412,10.03
8485,dADP,bmse000253,9,73.3197,12.5
8486,dADP,bmse000253,10,67.3652,4.1
8487,dADP,bmse000253,11,67.3129,3.98
8488,dADP,bmse000253,12,41.5514,9.81
8489,D_Fructose_1_phosphate,bmse000254,1,100.8301,3.74
8490,D_Fructose_1_phosphate,bmse000254,2,100.7578,3.97
8491,D_Fructose_1_phosphate,bmse000254,3,83.1443,1.21
8492,D_Fructose_1_phosphate,bmse000254,4,78.79,1.8
8493,D_Fructose_1_phosphate,bmse000254,5,76.8304,1.21
8494,D_Fructose_1_phosphate,bmse000254,6,72.0493,12.5
8495,D_Fructose_1_phosphate,bmse000254,7,71.8351,11.69
8496,D_Fructose_1_phosphate,bmse000254,8,70.5098,12.35
8497,D_Fructose_1_phosphate,bmse000254,9,68.9967,5.19
8498,D_Fructose_1_phosphate,bmse000254,10,68.9492,5.25
8499,D_Fructose_1_phosphate,bmse000254,11,66.0887,9.73
8500,D_Fructose_1_phosphate,bmse000254,12,64.969,2.12
8501,D_Fructose_1_phosphate,bmse000254,13,64.1264,1.29
8502,ITP,bmse000255,1,161.4399,4.25
8503,ITP,bmse000255,2,151.5943,2.62
8504,ITP,bmse000255,3,149.0201,9.65
8505,ITP,bmse000255,4,142.5226,5.74
8506,ITP,bmse000255,5,126.3562,2.24
8507,ITP,bmse000255,6,90.276,1.56
8508,ITP,bmse000255,7,89.9312,10.81
8509,ITP,bmse000255,8,86.8306,5.65
8510,ITP,bmse000255,9,86.7415,5.81
8511,ITP,bmse000255,10,77.2254,2.18
8512,ITP,bmse000255,11,77.1273,12.5
8513,ITP,bmse000255,12,72.8596,11.68
8514,ITP,bmse000255,13,72.5243,2.14
8515,ITP,bmse000255,14,67.7479,4.35
8516,ITP,bmse000255,15,67.695,4.23
8517,Formaldehyde,bmse000256,1,84.4358,12.5
8518,FMN,bmse000257,1,163.2526,6.78
8519,FMN,bmse000257,2,160.3175,7.33
8520,FMN,bmse000257,3,153.429,6.6
8521,FMN,bmse000257,4,152.3129,4.11
8522,FMN,bmse000257,5,142.1584,7.18
8523,FMN,bmse000257,6,136.6282,6.86
8524,FMN,bmse000257,7,136.1877,6.82
8525,FMN,bmse000257,8,134.1083,4
8526,FMN,bmse000257,9,132.8224,4.98
8527,FMN,bmse000257,10,119.7064,4.78
8528,FMN,bmse000257,11,75.2209,6.14
8529,FMN,bmse000257,12,74.4868,3.9
8530,FMN,bmse000257,13,74.4237,3.92
8531,FMN,bmse000257,14,72.0087,6.36
8532,FMN,bmse000257,15,67.8012,3.52
8533,FMN,bmse000257,16,50.1474,2.93
8534,FMN,bmse000257,17,23.466,11.62
8536,Glycolaldehyde,bmse000258,1,92.374,9.81
8537,Glycolaldehyde,bmse000258,2,67.1623,12.5
8538,4_Hydroxybenzaldehyde,bmse000259,1,197.0798,3.76
8539,4_Hydroxybenzaldehyde,bmse000259,2,136.1538,9.71
8540,4_Hydroxybenzaldehyde,bmse000259,3,129.545,1.03
8541,4_Hydroxybenzaldehyde,bmse000259,4,119.8609,12.5
8542,Nicotinamide_D_ribonucleotide,bmse000260,1,175.8236,3.35
8543,Nicotinamide_D_ribonucleotide,bmse000260,2,141.0654,10.52
8544,Nicotinamide_D_ribonucleotide,bmse000260,3,127.6138,9.12
8545,Nicotinamide_D_ribonucleotide,bmse000260,4,108.182,10.66
8546,Nicotinamide_D_ribonucleotide,bmse000260,5,103.4044,6.52
8547,Nicotinamide_D_ribonucleotide,bmse000260,6,103.1839,1.61
8548,Nicotinamide_D_ribonucleotide,bmse000260,7,97.6396,11.48
8549,Nicotinamide_D_ribonucleotide,bmse000260,8,85.9422,6.34
8550,Nicotinamide_D_ribonucleotide,bmse000260,9,85.8555,6.04
8551,Nicotinamide_D_ribonucleotide,bmse000260,10,80.4925,1.81
8552,Nicotinamide_D_ribonucleotide,bmse000260,11,74.2063,1.79
8553,Nicotinamide_D_ribonucleotide,bmse000260,12,73.4952,12.5
8554,Nicotinamide_D_ribonucleotide,bmse000260,13,73.3372,12.21
8555,Nicotinamide_D_ribonucleotide,bmse000260,14,66.7617,5.06
8556,Nicotinamide_D_ribonucleotide,bmse000260,15,66.7167,4.78
8557,Nicotinamide_D_ribonucleotide,bmse000260,16,24.6964,9.6
8558,Acetyl_phosphate,bmse000261,1,175.0096,3.44
8559,Acetyl_phosphate,bmse000261,2,25.9801,10.24
8560,Acetyl_phosphate,bmse000261,3,24.7883,12.5
8561,Acetyl_phosphate,bmse000261,4,24.7425,11.1
8562,3_4_Hydroxyphenyl_pyruvate,bmse000262,1,157.3242,1.3
8563,3_4_Hydroxyphenyl_pyruvate,bmse000262,2,133.865,7.91
8564,3_4_Hydroxyphenyl_pyruvate,bmse000262,3,118.3826,12.5
8565,3_4_Hydroxyphenyl_pyruvate,bmse000262,4,117.7478,1.45
8566,NADP,bmse000263,1,167.8496,4.47
8567,NADP,bmse000263,2,158.1147,5.39
8568,NADP,bmse000263,3,155.428,9.01
8569,NADP,bmse000263,4,151.6757,5.76
8570,NADP,bmse000263,5,148.3745,7.75
8571,NADP,bmse000263,6,145.0167,6.29
8572,NADP,bmse000263,7,142.8886,8.29
8573,NADP,bmse000263,8,142.5477,5.92
8574,NADP,bmse000263,9,136.304,8.28
8575,NADP,bmse000263,10,131.3453,8.51
8576,NADP,bmse000263,11,121.1612,3.82
8577,NADP,bmse000263,12,102.729,11.11
8578,NADP,bmse000263,13,89.8221,5.86
8579,NADP,bmse000263,14,89.7336,5.64
8580,NADP,bmse000263,15,89.2538,5.26
8581,NADP,bmse000263,16,89.1719,5.28
8582,NADP,bmse000263,17,85.7472,5.48
8583,NADP,bmse000263,18,85.6577,5.52
8584,NADP,bmse000263,19,80.3221,12.5
8585,NADP,bmse000263,20,78.7636,5.55
8586,NADP,bmse000263,21,78.722,5.71
8587,NADP,bmse000263,22,73.3731,12.23
8588,NADP,bmse000263,23,72.7335,7.06
8589,NADP,bmse000263,24,68.2193,4.11
8590,NADP,bmse000263,25,67.6754,4.43
8591,NADP,bmse000263,26,57.0544,1.98
8592,4_Nitrophenyl_phosphate,bmse000264,1,163.0405,1.08
8593,4_Nitrophenyl_phosphate,bmse000264,2,144.5179,1.04
8594,4_Nitrophenyl_phosphate,bmse000264,3,128.4131,12.5
8595,4_Nitrophenyl_phosphate,bmse000264,4,122.6671,7.06
8596,4_Nitrophenyl_phosphate,bmse000264,5,122.6148,7.04
8597,4_Nitrocatechol,bmse000265,1,164.1278,1.69
8598,4_Nitrocatechol,bmse000265,2,148.5107,2.32
8599,4_Nitrocatechol,bmse000265,3,138.4594,1.3
8600,4_Nitrocatechol,bmse000265,4,122.9045,11.12
8601,4_Nitrocatechol,bmse000265,5,118.6529,12.08
8602,4_Nitrocatechol,bmse000265,6,112.45,12.5
8603,UDP,bmse000266,1,169.0888,5
8604,UDP,bmse000266,2,154.545,3.74
8605,UDP,bmse000266,3,144.5243,8.52
8606,UDP,bmse000266,4,105.234,10.35
8607,UDP,bmse000266,5,91.4445,11.2
8608,UDP,bmse000266,6,85.9024,5.62
8609,UDP,bmse000266,7,85.8136,5.66
8610,UDP,bmse000266,8,76.5959,12.5
8611,UDP,bmse000266,9,71.8259,11.92
8612,UDP,bmse000266,10,66.8315,4.4
8613,UDP,bmse000266,11,66.7792,4.54
8614,Formamide,bmse000267,1,169.4492,12.5
8615,R_Lactate,bmse000269,1,185.265,2.92
8616,R_Lactate,bmse000269,2,71.1978,10.49
8617,R_Lactate,bmse000269,3,22.7641,12.5
8618,GDP,bmse000270,1,161.6068,4.89
8619,GDP,bmse000270,2,156.6326,5.27
8620,GDP,bmse000270,3,154.1538,4.67
8621,GDP,bmse000270,4,140.2801,1.14
8622,GDP,bmse000270,5,140.1096,6.84
8623,GDP,bmse000270,6,118.7579,3.69
8624,GDP,bmse000270,7,89.8065,11.14
8625,GDP,bmse000270,8,86.2198,5.66
8626,GDP,bmse000270,9,86.132,5.77
8627,GDP,bmse000270,10,76.7534,12.5
8628,GDP,bmse000270,11,72.5131,12.28
8629,GDP,bmse000270,12,67.1729,4.45
8630,GDP,bmse000270,13,67.1215,4.26
8631,CoA,bmse000271,1,177.6817,2.7
8632,CoA,bmse000271,2,177.4294,8.2
8633,CoA,bmse000271,3,176.8233,2.08
8634,CoA,bmse000271,4,176.7106,6.6
8635,CoA,bmse000271,5,158.389,5.21
8636,CoA,bmse000271,6,155.6654,8.04
8637,CoA,bmse000271,7,155.5753,5.97
8638,CoA,bmse000271,8,152.1398,5.55
8639,CoA,bmse000271,9,152.0219,2.76
8642,CoA,bmse000271,12,121.3186,3.76
8643,CoA,bmse000271,13,89.3885,6.08
8644,CoA,bmse000271,14,89.1901,9.09
8645,CoA,bmse000271,15,87.3585,1.54
8646,CoA,bmse000271,16,87.3087,1.85
8647,CoA,bmse000271,17,87.2237,1.74
8648,CoA,bmse000271,18,86.8498,2.3
8649,CoA,bmse000271,19,86.7595,2.57
8650,CoA,bmse000271,20,85.3884,1.1
8651,CoA,bmse000271,21,79.6453,1.28
8652,CoA,bmse000271,22,79.1396,1.19
8653,CoA,bmse000271,23,78.2226,1.22
8654,CoA,bmse000271,24,77.5422,4.25
8655,CoA,bmse000271,25,77.2177,3.82
8656,CoA,bmse000271,26,77.1851,3.69
8657,CoA,bmse000271,27,76.9949,5.4
8658,CoA,bmse000271,28,76.9604,4.74
8659,CoA,bmse000271,29,76.7805,9.52
8660,CoA,bmse000271,30,76.4673,4.19
8661,CoA,bmse000271,31,76.4236,8.22
8662,CoA,bmse000271,32,76.3796,5.46
8663,CoA,bmse000271,33,74.5542,4.24
8664,CoA,bmse000271,34,74.4922,3.65
8665,CoA,bmse000271,35,73.328,2.2
8666,CoA,bmse000271,36,73.2765,1.86
8667,CoA,bmse000271,37,68.4744,3.83
8668,CoA,bmse000271,38,68.4222,3.88
8669,CoA,bmse000271,39,66.6691,2.47
8670,CoA,bmse000271,40,66.6238,2.86
8671,CoA,bmse000271,41,45.0428,4.93
8672,CoA,bmse000271,42,44.9976,11.76
8673,CoA,bmse000271,43,44.9048,1.18
8674,CoA,bmse000271,44,41.1259,2.81
8675,CoA,bmse000271,45,41.0359,6.14
8676,CoA,bmse000271,46,40.9558,6.01
8677,CoA,bmse000271,47,40.7593,1.76
8678,CoA,bmse000271,48,39.1263,1.74
8679,CoA,bmse000271,49,38.2973,1.72
8680,CoA,bmse000271,50,38.1621,9.87
8681,CoA,bmse000271,51,38.0817,9.25
8682,CoA,bmse000271,52,25.7997,12.5
8683,CoA,bmse000271,53,24.0869,1.45
8684,CoA,bmse000271,54,23.9984,3.96
8685,CoA,bmse000271,55,23.5128,8.93
8686,CoA,bmse000271,56,22.6789,1.36
8687,CoA,bmse000271,57,20.9419,3.81
8688,CoA,bmse000271,58,20.7819,9.63
8689,CoA,bmse000271,59,20.1012,1.78
8690,CDP,bmse000272,1,168.8761,4.9
8691,CDP,bmse000272,2,160.4002,4.39
8692,CDP,bmse000272,3,144.5698,1.09
8693,CDP,bmse000272,4,144.266,8.55
8694,CDP,bmse000272,5,99.3648,1.46
8695,CDP,bmse000272,6,99.2242,9.38
8696,CDP,bmse000272,7,92.2295,11.24
8697,CDP,bmse000272,8,91.8456,1.72
8698,CDP,bmse000272,9,85.3396,5.74
8699,CDP,bmse000272,10,85.2502,5.69
8700,CDP,bmse000272,11,77.0076,12.5
8701,CDP,bmse000272,12,72.3706,1.47
8702,CDP,bmse000272,13,71.4858,12.07
8703,CDP,bmse000272,14,66.6366,4.51
8704,CDP,bmse000272,15,66.5841,4.41
8705,D_Aspartate,bmse000273,1,180.3052,2.2
8706,D_Aspartate,bmse000273,2,177.0122,1.98
8707,D_Aspartate,bmse000273,3,54.9072,9.91
8708,D_Aspartate,bmse000273,4,39.2644,12.5
8709,Thiamin,bmse000274,1,171.726,5.58
8710,Thiamin,bmse000274,2,164.5163,3.11
8711,Thiamin,bmse000274,3,159.8969,10.99
8712,Thiamin,bmse000274,4,145.552,3.59
8713,Thiamin,bmse000274,5,138.7379,4.97
8714,Thiamin,bmse000274,6,107.1899,6.29
8715,Thiamin,bmse000274,7,63.1255,12.5
8716,Thiamin,bmse000274,8,53.7574,10.69
8717,Thiamin,bmse000274,9,31.9248,12.41
8718,Thiamin,bmse000274,10,26.7632,11.25
8719,Thiamin,bmse000274,11,13.8517,12.02
8720,D_Fructose_2_6_bisphosphate,bmse000275,1,106.8714,4.79
8721,D_Fructose_2_6_bisphosphate,bmse000275,2,106.8017,4.74
8722,D_Fructose_2_6_bisphosphate,bmse000275,3,82.9825,6.41
8723,D_Fructose_2_6_bisphosphate,bmse000275,4,82.912,6.28
8724,D_Fructose_2_6_bisphosphate,bmse000275,5,80.0513,6.58
8725,D_Fructose_2_6_bisphosphate,bmse000275,6,80.0052,6.39
8726,D_Fructose_2_6_bisphosphate,bmse000275,7,78.0543,12.5
8727,D_Fructose_2_6_bisphosphate,bmse000275,8,68.3553,5.53
8728,D_Fructose_2_6_bisphosphate,bmse000275,9,68.3079,5.71
8729,D_Fructose_2_6_bisphosphate,bmse000275,10,65.2002,7.1
8730,D_Fructose_2_6_bisphosphate,bmse000275,11,60.1397,1.11
8731,D_Fructose_2_6_bisphosphate,bmse000275,12,19.51,1.19
8732,Ethanolamine,bmse000276,1,60.3171,12.5
8733,Ethanolamine,bmse000276,2,43.9507,8.05
8734,CTP,bmse000277,1,168.8983,5.15
8735,CTP,bmse000277,2,160.5208,4.42
8736,CTP,bmse000277,3,144.2311,8.6
8737,CTP,bmse000277,4,99.3524,9.52
8738,CTP,bmse000277,5,91.8085,11.04
8739,CTP,bmse000277,6,85.501,5.68
8740,CTP,bmse000277,7,85.4107,5.57
8741,CTP,bmse000277,8,77.0203,1.35
8742,CTP,bmse000277,9,76.8989,12.5
8743,CTP,bmse000277,10,71.7933,11.89
8744,CTP,bmse000277,11,71.4631,1.06
8745,CTP,bmse000277,12,67.272,4.2
8746,CTP,bmse000277,13,67.2177,4.39
8747,D_Ribulose_5_phosphate,bmse000278,1,103.8241,7.82
8748,D_Ribulose_5_phosphate,bmse000278,2,98.9771,2.24
8749,D_Ribulose_5_phosphate,bmse000278,3,85.3023,1.6
8750,D_Ribulose_5_phosphate,bmse000278,4,84.6704,3.81
8751,D_Ribulose_5_phosphate,bmse000278,5,84.5875,4.13
8752,D_Ribulose_5_phosphate,bmse000278,6,78.03,9.99
8753,D_Ribulose_5_phosphate,bmse000278,7,73.4112,12.5
8754,D_Ribulose_5_phosphate,bmse000278,8,72.931,3.83
8755,D_Ribulose_5_phosphate,bmse000278,9,67.3547,5.39
8756,D_Ribulose_5_phosphate,bmse000278,10,67.3093,5.5
8757,D_Ribulose_5_phosphate,bmse000278,11,66.4813,2.3
8758,Urocanate,bmse000279,1,178.6198,2.5
8759,Urocanate,bmse000279,2,140.3626,11.29
8760,Urocanate,bmse000279,3,137.0776,2.14
8761,Urocanate,bmse000279,4,133.668,10.36
8762,Urocanate,bmse000279,5,124.4849,12.5
8763,Urocanate,bmse000279,6,123.9802,8.38
8764,UMP,bmse000280,1,169.0839,4.57
8765,UMP,bmse000280,2,154.6578,3.41
8766,UMP,bmse000280,3,144.8275,8.54
8767,UMP,bmse000280,4,105.3924,10.43
8768,UMP,bmse000280,5,91.006,11.31
8769,UMP,bmse000280,6,86.9204,5.97
8770,UMP,bmse000280,7,86.8326,6.05
8771,UMP,bmse000280,8,76.6643,12.5
8772,UMP,bmse000280,9,72.7729,12.16
8773,UMP,bmse000280,10,65.9126,4.79
8774,UMP,bmse000280,11,65.8681,4.9
8775,Nicotinamide,bmse000281,1,154.5266,12.5
8776,Nicotinamide,bmse000281,2,150.344,11.49
8777,Nicotinamide,bmse000281,3,139.1539,11.48
8778,Nicotinamide,bmse000281,4,131.9398,1.76
8779,Nicotinamide,bmse000281,5,126.9235,10.76
8780,DL_Alanine,bmse000282,1,178.5738,1.77
8781,DL_Alanine,bmse000282,2,53.2017,9.6
8782,DL_Alanine,bmse000282,3,18.85,12.5
8783,Orotate,bmse000283,1,104.064,12.5
8784,Benzonitrile,bmse000284,1,136.2019,8.6
8785,Benzonitrile,bmse000284,2,135.1116,12.5
8786,Benzonitrile,bmse000284,3,131.8912,12.48
8787,Choline,bmse000285,1,70.1479,3.39
8788,Choline,bmse000285,2,70.1177,3.59
8789,Choline,bmse000285,3,70.0875,3.34
8790,Choline,bmse000285,4,58.3089,8.06
8791,Choline,bmse000285,5,56.621,11.8
8792,Choline,bmse000285,6,56.5813,12.5
8793,Choline,bmse000285,7,56.542,12.01
8794,Acetophenone,bmse000286,1,136.8469,7.17
8795,Acetophenone,bmse000286,2,131.5104,12.5
8796,Acetophenone,bmse000286,3,131.2516,11.84
8797,Acetophenone,bmse000286,4,28.9711,3.47
8798,Pantothenate,bmse000287,1,183.0208,3.24
8799,Pantothenate,bmse000287,2,177.6531,4.02
8800,Pantothenate,bmse000287,3,78.4586,12.5
8801,Pantothenate,bmse000287,4,71.0985,10.81
8802,Pantothenate,bmse000287,5,41.2778,8.26
8803,Pantothenate,bmse000287,6,39.3779,10.45
8804,Pantothenate,bmse000287,7,38.8533,9.94
8805,Pantothenate,bmse000287,8,23.2349,9.96
8806,Pantothenate,bmse000287,9,21.8424,10.1
8807,Pyridoxine,bmse000288,1,163.4259,2.28
8808,Pyridoxine,bmse000288,2,146.9983,3.52
8809,Pyridoxine,bmse000288,3,141.4468,3.78
8810,Pyridoxine,bmse000288,4,138.1842,4.52
8811,Pyridoxine,bmse000288,5,127.4073,3.84
8812,Pyridoxine,bmse000288,6,61.4656,12.5
8813,Pyridoxine,bmse000288,7,58.6687,10.33
8814,Pyridoxine,bmse000288,8,18.2013,8.23
8815,S_Adenosyl_L_homocysteine,bmse000289,1,176.8876,4.61
8816,S_Adenosyl_L_homocysteine,bmse000289,2,158.3878,3.44
8817,S_Adenosyl_L_homocysteine,bmse000289,3,155.6615,9.39
8818,S_Adenosyl_L_homocysteine,bmse000289,4,151.6956,3.2
8819,S_Adenosyl_L_homocysteine,bmse000289,5,142.814,7.91
8820,S_Adenosyl_L_homocysteine,bmse000289,6,121.5644,2.04
8821,S_Adenosyl_L_homocysteine,bmse000289,7,90.125,10.63
8822,S_Adenosyl_L_homocysteine,bmse000289,8,90.0104,2.04
8823,S_Adenosyl_L_homocysteine,bmse000289,9,86.1029,11.9
8824,S_Adenosyl_L_homocysteine,bmse000289,10,75.9715,11.38
8825,S_Adenosyl_L_homocysteine,bmse000289,11,75.0004,12.5
8826,S_Adenosyl_L_homocysteine,bmse000289,12,56.4364,10.43
8827,S_Adenosyl_L_homocysteine,bmse000289,13,36.2065,8.4
8828,S_Adenosyl_L_homocysteine,bmse000289,14,33.1203,8.91
8829,S_Adenosyl_L_homocysteine,bmse000289,15,30.4627,9.14
8830,Phenol,bmse000290,1,132.703,11.87
8831,Phenol,bmse000290,2,123.3534,6.56
8832,Phenol,bmse000290,3,118.0886,12.5
8833,Selenomethionine,bmse000291,1,176.8764,2.7
8834,Selenomethionine,bmse000291,2,57.3265,11.71
8835,Selenomethionine,bmse000291,3,33.5106,11.73
8836,Selenomethionine,bmse000291,4,21.8408,12.5
8837,Selenomethionine,bmse000291,5,5.875,6.96
8838,UDPglucuronate,bmse000292,1,179.1513,4.63
8839,UDPglucuronate,bmse000292,2,169.0242,5.14
8840,UDPglucuronate,bmse000292,3,154.6097,3.93
8841,UDPglucuronate,bmse000292,4,144.2873,8.42
8842,UDPglucuronate,bmse000292,5,105.4108,10.1
8843,UDPglucuronate,bmse000292,6,98.1166,5.83
8844,UDPglucuronate,bmse000292,7,98.0506,5.78
8845,UDPglucuronate,bmse000292,8,91.0126,10.69
8846,UDPglucuronate,bmse000292,9,86.0368,5.52
8847,UDPglucuronate,bmse000292,10,85.9455,5.68
8848,UDPglucuronate,bmse000292,11,76.498,12.5
8849,UDPglucuronate,bmse000292,12,75.7603,10.99
8850,UDPglucuronate,bmse000292,13,75.2986,10.18
8851,UDPglucuronate,bmse000292,14,74.5675,11.19
8852,UDPglucuronate,bmse000292,15,74.1227,5.66
8853,UDPglucuronate,bmse000292,16,74.0395,5.54
8854,UDPglucuronate,bmse000292,17,72.367,11.96
8855,UDPglucuronate,bmse000292,18,67.7081,4.35
8856,UDPglucuronate,bmse000292,19,67.6532,4.54
8857,UDPglucuronate,bmse000292,20,60.142,1.01
8858,UDPglucuronate,bmse000292,21,19.5053,1.3
8859,Hydroquinone,bmse000293,1,151.6552,1.09
8860,Hydroquinone,bmse000293,2,119.0705,12.5
8861,Methanol,bmse000294,1,51.571,12.5
8862,Methanol,bmse000294,2,8.3835,1.29
8863,UTP,bmse000295,1,169.0527,4.84
8864,UTP,bmse000295,2,154.6305,3.56
8865,UTP,bmse000295,3,144.4685,8.62
8866,UTP,bmse000295,4,105.3558,9.9
8867,UTP,bmse000295,5,90.9803,10.91
8868,UTP,bmse000295,6,86.0794,5.45
8869,UTP,bmse000295,7,85.9897,5.66
8870,UTP,bmse000295,8,76.4645,12.5
8871,UTP,bmse000295,9,72.1667,11.59
8872,UTP,bmse000295,10,67.5196,4.26
8873,UTP,bmse000295,11,67.4644,4.32
8874,UTP,bmse000295,12,60.1427,1.1
8875,dTMP,bmse000296,1,169.2356,1.23
8876,dTMP,bmse000296,2,160.5265,1.29
8877,dTMP,bmse000296,3,154.4333,1.31
8878,dTMP,bmse000296,4,140.1216,3.35
8879,dTMP,bmse000296,5,114.2982,2.37
8880,dTMP,bmse000296,6,88.3382,2.04
8881,dTMP,bmse000296,7,88.2519,1.87
8882,dTMP,bmse000296,8,87.8416,3.66
8883,dTMP,bmse000296,9,73.7576,4.03
8884,dTMP,bmse000296,10,69.7071,3.43
8885,dTMP,bmse000296,11,69.6331,3.39
8886,dTMP,bmse000296,12,68.674,6.88
8887,dTMP,bmse000296,13,67.0077,1.54
8888,dTMP,bmse000296,14,66.9519,1.6
8889,dTMP,bmse000296,15,57.1741,5.62
8890,dTMP,bmse000296,16,50.7174,6.42
8891,dTMP,bmse000296,17,47.4494,6.5
8892,dTMP,bmse000296,18,41.3959,3.4
8893,dTMP,bmse000296,19,35.6124,12.5
8894,dTMP,bmse000296,20,27.378,11.97
8895,dTMP,bmse000296,21,27.3297,7.39
8896,dTMP,bmse000296,22,14.3887,4.03
8897,Ethanol,bmse000297,1,60.1347,10.57
8898,Ethanol,bmse000297,2,19.4922,12.5
8899,D_Glyceraldehyde,bmse000298,1,92.4619,11.47
8900,D_Glyceraldehyde,bmse000298,2,76.7643,11.97
8901,D_Glyceraldehyde,bmse000298,3,67.5383,2.02
8902,D_Glyceraldehyde,bmse000298,4,64.6757,12.5
8903,Folate,bmse000299,1,185.1947,10.02
8904,Folate,bmse000299,2,182.1813,8.33
8905,Folate,bmse000299,3,171.6618,6.23
8906,Folate,bmse000299,4,167.4706,1.1
8907,Folate,bmse000299,5,156.8561,3.58
8908,Folate,bmse000299,6,154.9662,1.2
8909,Folate,bmse000299,7,152.4534,5.63
8910,Folate,bmse000299,8,150.9644,2.57
8911,Folate,bmse000299,9,150.4027,4.37
8912,Folate,bmse000299,10,131.6987,1.03
8913,Folate,bmse000299,11,131.3015,7.38
8914,Folate,bmse000299,12,129.0129,4.84
8915,Folate,bmse000299,13,123.0856,5.17
8916,Folate,bmse000299,14,113.9108,6.41
8917,Folate,bmse000299,15,58.6333,8.76
8918,Folate,bmse000299,16,47.4239,2.98
8919,Folate,bmse000299,17,37.0651,12.5
8920,Folate,bmse000299,18,31.1742,7.87
8921,Benzoate,bmse000300,1,138.9121,1.04
8922,Benzoate,bmse000300,2,133.9731,7.03
8923,Benzoate,bmse000300,3,131.4957,12.46
8924,Benzoate,bmse000300,4,131.0181,12.5
8925,1_3_diaminopropane,bmse000001,1,39.3182,12.5
8926,1_3_diaminopropane,bmse000001,2,27.6038,6.62
8927,2_3_diphospho_D_glyceric_acid,bmse000002,1,180.6244,6.14
8928,2_3_diphospho_D_glyceric_acid,bmse000002,2,77.8926,9.81
8929,2_3_diphospho_D_glyceric_acid,bmse000002,3,77.8397,8.95
8930,2_3_diphospho_D_glyceric_acid,bmse000002,4,77.8017,8.58
8931,2_3_diphospho_D_glyceric_acid,bmse000002,5,77.7593,8.04
8932,2_3_diphospho_D_glyceric_acid,bmse000002,6,69.2089,12.5
8933,2_deoxyguanosine,bmse000003,1,140.4376,7.32
8934,2_deoxyguanosine,bmse000003,2,89.8652,7.61
8935,2_deoxyguanosine,bmse000003,3,86.6745,9.57
8936,2_deoxyguanosine,bmse000003,4,73.9059,12.5
8937,2_deoxyguanosine,bmse000003,5,64.3305,8.45
8938,2_deoxyguanosine,bmse000003,6,41.3976,8.86
8939,adenine,bmse000060,1,153.1875,0.8
8940,adenine,bmse000060,2,151.829,1.02
8941,adenine,bmse000060,3,147.5748,11.47
8942,adenine,bmse000060,4,146.3944,12.5
8943,adenine,bmse000060,5,118.324,0.66
8944,adenosine,bmse000061,1,155.2065,8.59
8945,adenosine,bmse000061,2,151.091,3.13
8946,adenosine,bmse000061,3,143.2708,6.58
8947,adenosine,bmse000061,4,91.0332,10.74
8948,adenosine,bmse000061,5,88.5401,11.36
8949,adenosine,bmse000061,6,76.3929,12.5
8950,adenosine,bmse000061,7,73.3525,11.01
8951,adenosine,bmse000061,8,64.2162,10.03
8952,adenosine,bmse000061,9,133.0864,1.07
8953,adonitol,bmse000062,1,74.8925,6.76
8954,adonitol,bmse000062,2,74.8008,11.44
8955,adonitol,bmse000062,3,65.0705,12.5
8956,ADP,bmse000004,1,158.1533,6.68
8957,ADP,bmse000004,2,155.4207,12.01
8958,ADP,bmse000004,3,151.6456,1.97
8959,ADP,bmse000004,4,151.5495,1.81
8960,ADP,bmse000004,5,142.8127,2.95
8961,ADP,bmse000004,6,142.5832,3.64
8962,ADP,bmse000004,7,121.1747,1.72
8963,ADP,bmse000004,8,89.778,10.17
8964,ADP,bmse000004,9,89.5551,6.01
8965,ADP,bmse000004,10,87.4621,3.15
8966,ADP,bmse000004,11,87.3746,3.43
8967,ADP,bmse000004,12,86.4858,4.81
8968,ADP,bmse000004,13,86.3979,5.28
8969,ADP,bmse000004,14,77.2288,6.53
8970,ADP,bmse000004,15,77.0622,12.5
8971,ADP,bmse000004,16,73.4056,6.43
8972,ADP,bmse000004,17,72.6057,12.04
8973,ADP,bmse000004,18,67.1794,3.82
8974,ADP,bmse000004,19,67.1297,3.91
8975,ADP,bmse000004,20,66.2518,2.61
8976,ADP,bmse000004,21,66.2091,2.71
8977,agmatine,bmse000063,1,159.5178,1.15
8978,agmatine,bmse000063,2,43.1542,9.26
8979,agmatine,bmse000063,3,41.7324,8.53
8980,agmatine,bmse000063,4,27.7024,11.07
8981,agmatine,bmse000063,5,26.715,12.5
8982,D_allose,bmse000008,1,96.1036,10.7
8983,D_allose,bmse000008,2,95.5286,1.55
8984,D_allose,bmse000008,3,76.2932,11.82
8985,D_allose,bmse000008,4,74.3841,1.58
8986,D_allose,bmse000008,5,73.9304,11.03
8987,D_allose,bmse000008,6,73.8513,12.02
8988,D_allose,bmse000008,7,69.7109,1.21
8989,D_allose,bmse000008,8,69.5516,1.22
8990,D_allose,bmse000008,9,69.4757,12.5
8991,D_allose,bmse000008,10,68.7507,2.03
8992,D_allose,bmse000008,11,63.8517,10.79
8993,D_allose,bmse000008,12,63.3663,1.24
8994,D_fructose,bmse000010,1,100.7878,2.8
8995,D_fructose,bmse000010,2,83.3844,4
8996,D_fructose,bmse000010,3,78.7409,1.35
8997,D_fructose,bmse000010,4,78.0833,3.23
8998,D_fructose,bmse000010,5,77.1431,3.97
8999,D_fructose,bmse000010,6,72.3808,12.5
9000,D_fructose,bmse000010,7,71.9017,10.92
9001,D_fructose,bmse000010,8,70.2559,10.72
9002,D_fructose,bmse000010,9,66.587,11.06
9003,D_fructose,bmse000010,10,66.0735,12.1
9004,D_fructose,bmse000010,11,65.3682,3.85
9005,D_fructose,bmse000010,12,65.074,4.07
9006,D_galactose,bmse000013,1,99.1714,10.5
9007,D_galactose,bmse000013,2,94.9986,5.59
9008,D_galactose,bmse000013,3,77.8681,12.5
9009,D_galactose,bmse000013,4,75.5121,11.36
9010,D_galactose,bmse000013,5,74.5893,11.5
9011,D_galactose,bmse000013,6,73.1956,6.08
9012,D_galactose,bmse000013,7,72.0185,5.93
9013,D_galactose,bmse000013,8,71.879,5.94
9014,D_galactose,bmse000013,9,71.4595,12.5
9015,D_galactose,bmse000013,10,71.0589,5.22
9016,D_galactose,bmse000013,11,63.8951,5.64
9017,D_galactose,bmse000013,12,63.6909,11.96
9018,D_glucose,bmse000015,1,98.6177,12.18
9019,D_glucose,bmse000015,2,94.8017,7.46
9020,D_glucose,bmse000015,3,78.6602,12.5
9021,D_glucose,bmse000015,4,78.46,12.38
9022,D_glucose,bmse000015,5,76.8429,11.94
9023,D_glucose,bmse000015,6,75.4621,6.95
9024,D_glucose,bmse000015,7,74.1868,7.96
9025,D_glucose,bmse000015,8,74.1521,7.85
9026,D_glucose,bmse000015,9,72.3476,7.59
9027,D_glucose,bmse000015,10,72.3041,12.25
9028,D_glucose,bmse000015,11,63.4496,11.55
9029,D_glucose,bmse000015,12,63.2877,6.43
9030,D_mannose,bmse000018,1,96.747,10.66
9031,D_mannose,bmse000018,2,96.3827,5.27
9032,D_mannose,bmse000018,3,78.8753,4.9
9033,D_mannose,bmse000018,4,75.7486,5.48
9034,D_mannose,bmse000018,5,75.1093,11.15
9035,D_mannose,bmse000018,6,73.9252,5.51
9036,D_mannose,bmse000018,7,73.3921,10.59
9037,D_mannose,bmse000018,8,72.9329,10.68
9038,D_mannose,bmse000018,9,69.5495,10.82
9039,D_mannose,bmse000018,10,69.3058,5.88
9040,D_mannose,bmse000018,11,63.666,12.5
9041,D_psicose,bmse000020,1,105.9793,2.62
9042,D_psicose,bmse000020,2,101.1482,2.31
9043,D_psicose,bmse000020,3,85.4184,12.5
9044,D_psicose,bmse000020,4,77.3405,2.67
9045,D_psicose,bmse000020,5,74.437,5.54
9046,D_psicose,bmse000020,6,73.7152,3.61
9047,D_psicose,bmse000020,7,73.0555,10.59
9048,D_psicose,bmse000020,8,73.0326,11.16
9049,D_psicose,bmse000020,9,72.9119,5.49
9050,D_psicose,bmse000020,10,71.7174,6.08
9051,D_psicose,bmse000020,11,68.562,7.08
9052,D_psicose,bmse000020,12,68.1859,7.9
9053,D_psicose,bmse000020,13,67.7838,6.98
9054,D_psicose,bmse000020,14,66.8844,6.45
9055,D_psicose,bmse000020,15,66.6778,4.36
9056,D_psicose,bmse000020,16,65.9583,9.93
9057,D_psicose,bmse000020,17,65.7568,6.2
9058,D_psicose,bmse000020,18,65.5148,3.26
9059,D_psicose,bmse000020,19,65.0727,3.8
9060,D_psicose,bmse000020,20,64.029,7.13
9061,D_psicose,bmse000020,21,60.6736,5.34
9062,D_sorbose,bmse000022,1,100.4423,2.8
9063,D_sorbose,bmse000022,2,76.5308,8.63
9064,D_sorbose,bmse000022,3,73.0506,8.72
9065,D_sorbose,bmse000022,4,72.1197,12.5
9066,D_sorbose,bmse000022,5,66.1492,9.88
9067,D_sorbose,bmse000022,6,64.4696,11
9068,D_tagatose,bmse000023,1,100.9098,3.49
9069,D_tagatose,bmse000023,2,73.6229,12.5
9070,D_tagatose,bmse000023,3,72.484,10.38
9583,NADH,bmse000054,9,108.0387,9.52
9071,D_tagatose,bmse000023,4,71.9743,2.2
9072,D_tagatose,bmse000023,5,69.0595,10.53
9073,D_tagatose,bmse000023,6,66.5918,10.06
9074,D_tagatose,bmse000023,7,66.403,1.92
9075,D_tagatose,bmse000023,8,66.1917,1.73
9076,D_tagatose,bmse000023,9,64.9495,7.98
9077,D_tagatose,bmse000023,10,62.8345,1.69
9078,D_xylose,bmse000026,1,99.3304,11.78
9079,D_xylose,bmse000026,2,94.9405,6.48
9080,D_xylose,bmse000026,3,78.526,10.11
9081,D_xylose,bmse000026,4,76.7418,12.5
9082,D_xylose,bmse000026,5,75.5229,5.77
9083,D_xylose,bmse000026,6,74.1661,6.42
9084,D_xylose,bmse000026,7,72.1118,6.54
9085,D_xylose,bmse000026,8,71.9378,12.28
9086,D_xylose,bmse000026,9,67.899,10.25
9087,D_xylose,bmse000026,10,63.6456,5.21
9088,alpha_ketoglutaric_acid,bmse000064,1,184.1528,2.07
9089,alpha_ketoglutaric_acid,bmse000064,2,38.5723,12.5
9090,alpha_ketoglutaric_acid,bmse000064,3,33.3219,9.83
9091,alpha_lactose,bmse000065,1,105.6382,8.25
9092,alpha_lactose,bmse000065,2,98.4725,7.33
9093,alpha_lactose,bmse000065,3,94.539,4.05
9094,alpha_lactose,bmse000065,4,81.1636,3.89
9095,alpha_lactose,bmse000065,5,81.0377,6.84
9096,alpha_lactose,bmse000065,6,78.0734,12.5
9097,alpha_lactose,bmse000065,7,77.522,7.34
9098,alpha_lactose,bmse000065,8,77.0808,7.32
9099,alpha_lactose,bmse000065,9,76.5296,7.28
9100,alpha_lactose,bmse000065,10,75.2407,11.24
9101,alpha_lactose,bmse000065,11,74.1286,4.28
9102,alpha_lactose,bmse000065,12,73.8715,4.75
9103,alpha_lactose,bmse000065,13,73.6835,9.31
9104,alpha_lactose,bmse000065,14,72.8271,3.84
9105,alpha_lactose,bmse000065,15,71.272,8.2
9106,alpha_lactose,bmse000065,16,63.7524,7.27
9107,alpha_lactose,bmse000065,17,62.8108,4.95
9108,alpha_lactose,bmse000065,18,62.6765,3.11
9109,4_aminobenzoic_acid,bmse000066,1,133.5667,12.5
9110,4_aminobenzoic_acid,bmse000066,2,128.9442,1.1
9111,4_aminobenzoic_acid,bmse000066,3,117.8119,11.36
9112,AMP,bmse000005,1,158.1415,3.52
9113,AMP,bmse000005,2,155.4083,9.41
9114,AMP,bmse000005,3,151.6344,4.45
9115,AMP,bmse000005,4,142.8031,7.78
9116,AMP,bmse000005,5,121.1486,2.72
9117,AMP,bmse000005,6,89.5563,11.53
9118,AMP,bmse000005,7,87.4594,6.04
9119,AMP,bmse000005,8,87.3722,6.06
9120,AMP,bmse000005,9,77.2299,12.5
9121,AMP,bmse000005,10,73.4036,12.24
9122,AMP,bmse000005,11,66.25,4.83
9123,AMP,bmse000005,12,66.2055,5.13
9124,anthranilic_acid,bmse000067,1,150.2702,2.1
9125,anthranilic_acid,bmse000067,2,134.7227,10.28
9126,anthranilic_acid,bmse000067,3,133.6538,12.5
9127,anthranilic_acid,bmse000067,4,123.4956,1.99
9128,anthranilic_acid,bmse000067,5,120.6937,11.1
9129,anthranilic_acid,bmse000067,6,120.3926,11.42
9130,L_arabitol,bmse000068,1,73.609,12.5
9131,L_arabitol,bmse000068,2,73.1399,11.93
9132,L_arabitol,bmse000068,3,72.9514,12.49
9133,L_arabitol,bmse000068,4,65.7296,10.81
9134,L_arabitol,bmse000068,5,65.6383,9.86
9135,ATP,bmse000006,1,158.2621,4.05
9136,ATP,bmse000006,2,155.4997,9.32
9137,ATP,bmse000006,3,151.7848,3.62
9138,ATP,bmse000006,4,142.6155,7.12
9139,ATP,bmse000006,5,121.2616,2.51
9140,ATP,bmse000006,6,89.3634,10.94
9141,ATP,bmse000006,7,86.7432,5.75
9142,ATP,bmse000006,8,86.6543,5.65
9143,ATP,bmse000006,9,76.9481,12.5
9144,ATP,bmse000006,10,72.9427,11.75
9145,ATP,bmse000006,11,67.8017,4.32
9146,ATP,bmse000006,12,67.7473,4.42
9147,betaine,bmse000069,1,171.9654,1.21
9148,betaine,bmse000069,2,68.893,3.07
9149,betaine,bmse000069,3,68.8587,3.29
9150,betaine,bmse000069,4,68.8297,3.27
9151,betaine,bmse000069,5,56.0898,10.14
9152,betaine,bmse000069,6,56.0509,12.5
9153,betaine,bmse000069,7,56.0118,10.21
9154,betaine_aldehyde,bmse000070,1,87.5694,9.74
9155,betaine_aldehyde,bmse000070,2,56.9587,10.45
9156,betaine_aldehyde,bmse000070,3,56.9195,12.5
9157,betaine_aldehyde,bmse000070,4,56.8886,11.17
9158,cadaverine,bmse000072,1,41.871,11.66
9159,cadaverine,bmse000072,2,28.9617,12.5
9160,cadaverine,bmse000072,3,25.3762,5.64
9161,cAMP,bmse000071,1,158.0318,4.3
9162,cAMP,bmse000071,2,155.524,10.63
9163,cAMP,bmse000071,3,150.7719,4.62
9164,cAMP,bmse000071,4,142.3466,9.68
9165,cAMP,bmse000071,5,121.2041,3.29
9166,cAMP,bmse000071,6,94.2109,12.5
9167,cAMP,bmse000071,7,80.0206,6.2
9168,cAMP,bmse000071,8,79.9754,6.98
9169,cAMP,bmse000071,9,75.0214,7.05
9170,cAMP,bmse000071,10,74.9418,7.25
9171,cAMP,bmse000071,11,74.463,6.46
9172,cAMP,bmse000071,12,70.0836,5.58
9173,cAMP,bmse000071,13,70.0142,5.05
9174,L_canavanine,bmse000073,1,177.0117,3.9
9175,L_canavanine,bmse000073,2,161.2671,2
9176,L_canavanine,bmse000073,3,74.5403,11.99
9177,L_canavanine,bmse000073,4,55.2855,12.02
9178,L_canavanine,bmse000073,5,31.809,12.5
9179,D_carnitine,bmse000074,1,180.7779,2.25
9180,D_carnitine,bmse000074,2,72.8193,4.47
9181,D_carnitine,bmse000074,3,72.7942,3.83
9182,D_carnitine,bmse000074,4,66.791,9.37
9183,D_carnitine,bmse000074,5,56.8328,10.48
9184,D_carnitine,bmse000074,6,56.7941,12.5
9185,D_carnitine,bmse000074,7,56.7554,10.44
9186,D_carnitine,bmse000074,8,45.6802,6.79
9187,chorismic_acid,bmse000075,1,155.9825,4.51
9188,chorismic_acid,bmse000075,2,137.1007,3.63
9189,chorismic_acid,bmse000075,3,132.6303,11.7
9190,chorismic_acid,bmse000075,4,131.7674,9.54
9191,chorismic_acid,bmse000075,5,126.7891,9.9
9192,chorismic_acid,bmse000075,6,95.5643,8.84
9193,chorismic_acid,bmse000075,7,82.3153,12.5
9194,chorismic_acid,bmse000075,8,72.8256,12.45
9195,citrate,bmse000076,1,184.7215,1.13
9196,citrate,bmse000076,2,182.0353,2.11
9197,citrate,bmse000076,3,77.9249,1.44
9198,citrate,bmse000076,4,48.4023,12.5
9199,coumarin,bmse000077,1,163.4646,0.72
9200,coumarin,bmse000077,2,156.7265,1.12
9201,coumarin,bmse000077,3,146.1206,6.54
9202,coumarin,bmse000077,4,134.5133,12.5
9203,coumarin,bmse000077,5,130.5441,8.87
9204,coumarin,bmse000077,6,127.1083,11.93
9205,coumarin,bmse000077,7,121.5098,1.08
9206,coumarin,bmse000077,8,119.5804,6.82
9207,coumarin,bmse000077,9,119.3784,7.14
9208,creatine,bmse000078,1,177.3494,1.87
9209,creatine,bmse000078,2,56.549,12.5
9210,creatine,bmse000078,3,39.6249,7.16
9211,creatine_phosphate,bmse000079,1,177.5977,1.69
9212,creatine_phosphate,bmse000079,2,56.5658,12.5
9213,creatine_phosphate,bmse000079,3,39.5149,7.02
9214,dehydro_proline,bmse000080,1,174.9837,1.15
9215,dehydro_proline,bmse000080,2,128.3998,11.9
9216,dehydro_proline,bmse000080,3,128.1163,10.28
9217,dehydro_proline,bmse000080,4,71.129,8.12
9218,dehydro_proline,bmse000080,5,55.1054,12.5
9219,D_3_phosphoglyceric_acid,bmse000007,1,181.5589,4.18
9220,D_3_phosphoglyceric_acid,bmse000007,2,75.6758,11.64
9221,D_3_phosphoglyceric_acid,bmse000007,3,75.5997,9.71
9222,D_3_phosphoglyceric_acid,bmse000007,4,69.5144,10.45
9223,D_3_phosphoglyceric_acid,bmse000007,5,69.4639,12.5
9224,D_fructose_1_6_bisphosphate,bmse000011,1,107.7441,1.24
9225,D_fructose_1_6_bisphosphate,bmse000011,2,107.6859,1.45
9226,D_fructose_1_6_bisphosphate,bmse000011,3,103.7998,2.79
9227,D_fructose_1_6_bisphosphate,bmse000011,4,103.7169,2.58
9228,D_fructose_1_6_bisphosphate,bmse000011,5,84.7524,1.84
9229,D_fructose_1_6_bisphosphate,bmse000011,6,84.6734,1.8
9230,D_fructose_1_6_bisphosphate,bmse000011,7,84.1618,3.88
9231,D_fructose_1_6_bisphosphate,bmse000011,8,82.4331,4.33
9232,D_fructose_1_6_bisphosphate,bmse000011,9,82.3517,4.54
9233,D_fructose_1_6_bisphosphate,bmse000011,10,79.436,3.58
9234,D_fructose_1_6_bisphosphate,bmse000011,11,78.4857,12.5
9235,D_fructose_1_6_bisphosphate,bmse000011,12,76.8309,8.44
9236,D_fructose_1_6_bisphosphate,bmse000011,13,68.3534,4.96
9237,D_fructose_1_6_bisphosphate,bmse000011,14,67.3714,1.78
9238,D_fructose_1_6_bisphosphate,bmse000011,15,67.0519,6.07
9239,D_fructose_1_6_bisphosphate,bmse000011,16,67.0078,5.96
9240,D_fructose_1_6_bisphosphate,bmse000011,17,66.9036,2.2
9241,D_fructose_1_6_bisphosphate,bmse000011,18,66.8591,2.2
9242,D_fructose_6_phosphate,bmse000012,1,107.1352,1.18
9243,D_fructose_6_phosphate,bmse000012,2,104.1799,5.96
9244,D_fructose_6_phosphate,bmse000012,3,84.4579,2.69
9245,D_fructose_6_phosphate,bmse000012,4,83.1582,1.38
9246,D_fructose_6_phosphate,bmse000012,5,83.081,1.12
9247,D_fructose_6_phosphate,bmse000012,6,82.6592,6.1
9248,D_fructose_6_phosphate,bmse000012,7,82.5783,5.8
9249,D_fructose_6_phosphate,bmse000012,8,78.536,2.85
9250,D_fructose_6_phosphate,bmse000012,9,77.8697,12.5
9251,D_fructose_6_phosphate,bmse000012,10,77.0604,11.73
9252,D_fructose_6_phosphate,bmse000012,11,67.0498,5.65
9253,D_fructose_6_phosphate,bmse000012,12,67.0041,5.36
9254,D_fructose_6_phosphate,bmse000012,13,66.1661,1.42
9255,D_fructose_6_phosphate,bmse000012,14,65.5593,2.38
9256,D_fructose_6_phosphate,bmse000012,15,65.331,9.82
9257,D_glucosamine,bmse000014,1,96.4205,8.72
9258,D_glucosamine,bmse000014,2,92.2506,9.77
9259,D_glucosamine,bmse000014,3,78.8513,9.64
9260,D_glucosamine,bmse000014,4,75.5831,6.35
9261,D_glucosamine,bmse000014,5,74.3295,12.27
9262,D_glucosamine,bmse000014,6,72.756,10.13
9263,D_glucosamine,bmse000014,7,72.4003,6.63
9264,D_glucosamine,bmse000014,8,72.3164,12.5
9265,D_glucosamine,bmse000014,9,63.2588,6.09
9266,D_glucosamine,bmse000014,10,63.0618,8.38
9267,D_glucosamine,bmse000014,11,59.6201,8.02
9268,D_glucosamine,bmse000014,12,57.0959,11.82
9269,D_glucose_6_phosphate,bmse000016,1,98.7788,8.55
9270,D_glucose_6_phosphate,bmse000016,2,94.9276,4.89
9271,D_glucose_6_phosphate,bmse000016,3,78.1764,4.82
9272,D_glucose_6_phosphate,bmse000016,4,78.106,3.56
9273,D_glucose_6_phosphate,bmse000016,5,77.9455,6.69
9274,D_glucose_6_phosphate,bmse000016,6,76.9831,9.41
9275,D_glucose_6_phosphate,bmse000016,7,75.0341,3.92
9276,D_glucose_6_phosphate,bmse000016,8,74.314,4.27
9277,D_glucose_6_phosphate,bmse000016,9,73.8171,2.12
9278,D_glucose_6_phosphate,bmse000016,10,73.7484,2.83
9279,D_glucose_6_phosphate,bmse000016,11,71.7635,12.5
9280,D_glucose_6_phosphate,bmse000016,12,65.5737,3.84
9281,D_glucose_6_phosphate,bmse000016,13,65.5308,3.24
9282,D_glucose_6_phosphate,bmse000016,14,65.4799,2.31
9283,D_maltose,bmse000017,1,102.3099,6.16
9284,D_maltose,bmse000017,2,102.2275,9.38
9285,D_maltose,bmse000017,3,98.4704,10.34
9286,D_maltose,bmse000017,4,94.5912,6.33
9287,D_maltose,bmse000017,5,79.5285,5.17
9288,D_maltose,bmse000017,6,79.3217,8.47
9289,D_maltose,bmse000017,7,78.9276,9.15
9290,D_maltose,bmse000017,8,77.2648,10.83
9291,D_maltose,bmse000017,9,76.7045,8.61
9292,D_maltose,bmse000017,10,75.9471,5.48
9293,D_maltose,bmse000017,11,75.5584,7.84
9294,D_maltose,bmse000017,12,75.5345,10.55
9295,D_maltose,bmse000017,13,75.3859,9.92
9296,D_maltose,bmse000017,14,74.4492,5.89
9297,D_maltose,bmse000017,15,74.3558,8.17
9298,D_maltose,bmse000017,16,73.9924,5.77
9299,D_maltose,bmse000017,17,72.6486,6.16
9300,D_maltose,bmse000017,18,72.0198,8.44
9301,D_maltose,bmse000017,19,63.4361,6.09
9302,D_maltose,bmse000017,20,63.2871,4.41
9303,D_maltose,bmse000017,21,63.1596,12.5
9304,D_ornithine,bmse000019,1,56.8208,12.5
9305,D_ornithine,bmse000019,2,41.5722,10.12
9306,D_ornithine,bmse000019,3,30.1825,12.11
9307,D_ornithine,bmse000019,4,25.4604,8.77
9308,D_threo_isocitric_acid,bmse000025,1,183.683,6.79
9309,D_threo_isocitric_acid,bmse000025,2,182.958,3.11
9310,D_threo_isocitric_acid,bmse000025,3,76.3916,11.16
9311,D_threo_isocitric_acid,bmse000025,4,51.8047,12.5
9312,D_threo_isocitric_acid,bmse000025,5,40.3285,10.98
9313,D_xylulose,bmse000027,1,108.4502,1.01
9314,D_xylulose,bmse000027,2,105.6511,3.08
9315,D_xylulose,bmse000027,3,83.18,3.1
9316,D_xylulose,bmse000027,4,78.9065,11.61
9317,D_xylulose,bmse000027,5,78.5426,3.96
9318,D_xylulose,bmse000027,6,78.011,2.93
9319,D_xylulose,bmse000027,7,77.5565,9.89
9320,D_xylulose,bmse000027,8,74.6749,2.45
9321,D_xylulose,bmse000027,9,74.6163,2.47
9322,D_xylulose,bmse000027,10,72.5201,10.76
9323,D_xylulose,bmse000027,11,68.7345,3.03
9324,D_xylulose,bmse000027,12,65.6799,12.5
9325,D_xylulose,bmse000027,13,65.1062,3.07
9326,D_xylulose,bmse000027,14,64.5556,3.06
9327,fumaric_acid,bmse000083,1,177.424,1.91
9328,fumaric_acid,bmse000083,2,138.042,12.5
9329,gluconic_acid,bmse000084,1,181.3386,1.89
9330,gluconic_acid,bmse000084,2,76.7743,10.33
9331,gluconic_acid,bmse000084,3,75.2613,9.8
9332,gluconic_acid,bmse000084,4,73.8705,12.36
9333,gluconic_acid,bmse000084,5,73.6525,10.2
9334,gluconic_acid,bmse000084,6,65.308,12.5
9335,alpha_D_glucose_1_phosphate,bmse000086,1,96.3867,5.99
9336,alpha_D_glucose_1_phosphate,bmse000086,2,96.3335,6.2
9337,alpha_D_glucose_1_phosphate,bmse000086,3,75.8391,10.34
9338,alpha_D_glucose_1_phosphate,bmse000086,4,74.9392,5.94
9339,alpha_D_glucose_1_phosphate,bmse000086,5,74.871,6.51
9340,alpha_D_glucose_1_phosphate,bmse000086,6,74.7037,12.5
9341,alpha_D_glucose_1_phosphate,bmse000086,7,72.4482,11.49
9342,alpha_D_glucose_1_phosphate,bmse000086,8,63.3999,9.58
9343,alpha_D_glucose_1_6_bisphosphate,bmse000087,1,96.6014,6.13
9344,alpha_D_glucose_1_6_bisphosphate,bmse000087,2,96.5465,7.96
9345,alpha_D_glucose_1_6_bisphosphate,bmse000087,3,75.3449,11.03
9346,alpha_D_glucose_1_6_bisphosphate,bmse000087,4,75.0612,6.57
9347,alpha_D_glucose_1_6_bisphosphate,bmse000087,5,74.9873,7.68
9348,alpha_D_glucose_1_6_bisphosphate,bmse000087,6,74.3802,6.65
9349,alpha_D_glucose_1_6_bisphosphate,bmse000087,7,74.317,7.4
9350,alpha_D_glucose_1_6_bisphosphate,bmse000087,8,71.5781,12.5
9351,alpha_D_glucose_1_6_bisphosphate,bmse000087,9,65.3993,4.84
9352,alpha_D_glucose_1_6_bisphosphate,bmse000087,10,65.3536,5.06
9353,glycine,bmse000089,1,175.1557,1.97
9354,glycine,bmse000089,2,44.1252,12.5
9355,guanine,bmse000090,1,170.3632,9.04
9356,guanine,bmse000090,2,163.6535,12.5
9357,guanine,bmse000090,3,161.8796,11.9
9358,guanine,bmse000090,4,120.9619,9.12
9359,guanosine,bmse000091,1,170.5025,1.71
9360,guanosine,bmse000091,2,163.3657,1.47
9361,guanosine,bmse000091,3,153.5645,2.67
9362,guanosine,bmse000091,4,139.3656,9.14
9363,guanosine,bmse000091,5,121.0084,1.46
9364,guanosine,bmse000091,6,90.841,11.95
9365,guanosine,bmse000091,7,88.5938,12.21
9366,guanosine,bmse000091,8,75.8197,12.21
9367,guanosine,bmse000091,9,73.7609,12.5
9368,guanosine,bmse000091,10,64.5009,9.96
9369,4_hydroxybenzoic_acid,bmse000092,1,161.2131,1.26
9370,4_hydroxybenzoic_acid,bmse000092,2,133.942,12.5
9371,4_hydroxybenzoic_acid,bmse000092,3,130.8287,1.62
9372,4_hydroxybenzoic_acid,bmse000092,4,117.592,10.22
9373,trans_3_hydroxycinnamic_acid,bmse000093,1,178.4192,2.27
9374,trans_3_hydroxycinnamic_acid,bmse000093,2,158.5422,3.6
9375,trans_3_hydroxycinnamic_acid,bmse000093,3,143.1901,8.95
9376,trans_3_hydroxycinnamic_acid,bmse000093,4,139.6042,3.48
9377,trans_3_hydroxycinnamic_acid,bmse000093,5,133.0298,11.46
9378,trans_3_hydroxycinnamic_acid,bmse000093,6,127.174,8.41
9379,trans_3_hydroxycinnamic_acid,bmse000093,7,122.9365,12.5
9380,trans_3_hydroxycinnamic_acid,bmse000093,8,119.3249,10.36
9381,trans_3_hydroxycinnamic_acid,bmse000093,9,116.6163,10.36
9382,hypoxanthine,bmse000094,1,164.9523,1.17
9383,hypoxanthine,bmse000094,2,159.7264,2.08
9384,hypoxanthine,bmse000094,3,150.37,10.69
9385,hypoxanthine,bmse000094,4,149.1756,12.5
9386,hypoxanthine,bmse000094,5,123.2364,1.06
9387,imidazole,bmse000096,1,137.7708,3.03
9388,imidazole,bmse000096,2,123.4233,12.5
9389,indole,bmse000097,1,138.3981,1.25
9390,indole,bmse000097,2,130.4755,1.24
9391,indole,bmse000097,3,126.7831,8.65
9392,indole,bmse000097,4,124.6229,12.5
9393,indole,bmse000097,5,123.3758,10.66
9394,indole,bmse000097,6,122.4493,10.48
9395,indole,bmse000097,7,113.6756,9.74
9396,indole,bmse000097,8,105.2378,11.58
9397,inosine,bmse000098,1,151.078,2.3
9398,inosine,bmse000098,2,148.9185,8.98
9399,inosine,bmse000098,3,142.8874,7.4
9400,inosine,bmse000098,4,126.8411,1.65
9401,inosine,bmse000098,5,91.1086,8.08
9402,inosine,bmse000098,6,88.2694,11.43
9403,inosine,bmse000098,7,76.7759,12.5
9404,inosine,bmse000098,8,73.0828,10.32
9405,inosine,bmse000098,9,64.0173,8.72
9406,i_erythritol,bmse000095,1,74.6148,12.5
9407,i_erythritol,bmse000095,2,65.3077,8.45
9408,L_alanine,bmse000028,1,178.5574,1.16
9409,L_alanine,bmse000028,2,53.2035,9.48
9410,L_alanine,bmse000028,3,18.8465,12.5
9411,L_arginine,bmse000029,1,177.2125,3.21
9412,L_arginine,bmse000029,2,57.0216,10.14
9413,L_arginine,bmse000029,3,43.2011,12.5
9414,L_arginine,bmse000029,4,30.2885,11.19
9415,L_arginine,bmse000029,5,26.5758,9.54
9416,L_asparagine,bmse000030,1,177.1771,1.47
9417,L_asparagine,bmse000030,2,176.209,1.94
9418,L_asparagine,bmse000030,3,53.9932,12.5
9419,L_asparagine,bmse000030,4,37.2983,11.26
9420,L_aspartic_acid,bmse000031,1,180.297,3.41
9421,L_aspartic_acid,bmse000031,2,176.9954,2.67
9422,L_aspartic_acid,bmse000031,3,54.9142,11.68
9423,L_aspartic_acid,bmse000031,4,39.2604,12.5
9424,L_citrulline,bmse000032,1,177.3878,3.15
9425,L_citrulline,bmse000032,2,164.2805,1.25
9426,L_citrulline,bmse000032,3,57.2048,11.84
9427,L_citrulline,bmse000032,4,41.9551,1.88
9428,L_citrulline,bmse000032,5,30.4444,12.5
9429,L_citrulline,bmse000032,6,27.6682,7.93
9430,L_cystathionine,bmse000033,1,56.4392,8
9431,L_cystathionine,bmse000033,2,56.2614,10.81
9432,L_cystathionine,bmse000033,3,34.8058,9.84
9433,L_cystathionine,bmse000033,4,32.8913,9.2
9434,L_cystathionine,bmse000033,5,29.7625,12.5
9435,L_cysteine,bmse000034,1,58.731,9.48
9436,L_cysteine,bmse000034,2,27.687,12.5
9437,L_cystine,bmse000035,1,183.331,3.03
9438,L_cystine,bmse000035,2,57.5783,12.5
9439,L_cystine,bmse000035,3,46.0281,10.99
9440,L_fucose,bmse000036,1,98.936,11.78
9441,L_fucose,bmse000036,2,94.9206,4.76
9442,L_fucose,bmse000036,3,75.6252,9.59
9443,L_fucose,bmse000036,4,74.6014,4.86
9444,L_fucose,bmse000036,5,74.3627,10.92
9445,L_fucose,bmse000036,6,74.1543,8.8
9446,L_fucose,bmse000036,7,73.586,9.85
9447,L_fucose,bmse000036,8,71.9701,4.6
9448,L_fucose,bmse000036,9,70.7832,3.67
9449,L_fucose,bmse000036,10,69.0314,4.4
9450,L_fucose,bmse000036,11,18.2232,12.5
9451,L_glutamic_acid,bmse000037,1,184.0438,2.16
9452,L_glutamic_acid,bmse000037,2,177.297,1.79
9453,L_glutamic_acid,bmse000037,3,57.3356,12.29
9454,L_glutamic_acid,bmse000037,4,36.1753,9.58
9455,L_glutamic_acid,bmse000037,5,29.6742,12.5
9456,L_glutamine,bmse000038,1,180.3694,1.86
9457,L_glutamine,bmse000038,2,176.8264,2.47
9458,L_glutamine,bmse000038,3,56.8326,9.96
9459,L_glutamine,bmse000038,4,33.528,10.99
9460,L_glutamine,bmse000038,5,28.9528,12.5
9461,L_histidine,bmse000039,1,176.6511,1.83
9462,L_histidine,bmse000039,2,138.9728,9.16
9463,L_histidine,bmse000039,3,134.6686,2.25
9464,L_histidine,bmse000039,4,119.5492,8.47
9465,L_histidine,bmse000039,5,57.4737,12.5
9466,L_histidine,bmse000039,6,30.7804,11.71
9467,L_homoserine,bmse000040,1,177.2374,1.7
9468,L_homoserine,bmse000040,2,61.3363,12.5
9469,L_homoserine,bmse000040,3,56.0719,8.39
9470,L_homoserine,bmse000040,4,34.8823,11.17
9471,L_isoleucine,bmse000041,1,176.9223,1.89
9472,L_isoleucine,bmse000041,2,62.2493,12.5
9473,L_isoleucine,bmse000041,3,38.5957,9.56
9474,L_isoleucine,bmse000041,4,27.1531,12.15
9475,L_isoleucine,bmse000041,5,17.3893,8.4
9476,L_isoleucine,bmse000041,6,13.8035,7.76
9477,L_leucine,bmse000042,1,178.3284,2.9
9478,L_leucine,bmse000042,2,56.1175,11.06
9479,L_leucine,bmse000042,3,42.5151,11.41
9480,L_leucine,bmse000042,4,26.8579,12.5
9481,L_leucine,bmse000042,5,24.7283,9.43
9482,L_leucine,bmse000042,6,23.5808,12.45
9483,L_lysine,bmse000043,1,177.4077,2.58
9484,L_lysine,bmse000043,2,57.1969,9.77
9485,L_lysine,bmse000043,3,41.7595,10.04
9486,L_lysine,bmse000043,4,32.6068,10.59
9487,L_lysine,bmse000043,5,29.1125,12.5
9488,L_lysine,bmse000043,6,24.1325,10.95
9489,malic_acid,bmse000046,1,183.7669,2.25
9490,malic_acid,bmse000046,2,182.5706,2
9491,malic_acid,bmse000046,3,73.0495,9.52
9492,malic_acid,bmse000046,4,45.3174,12.5
9493,L_methionine,bmse000044,1,177.0256,1.63
9494,L_methionine,bmse000044,2,56.5949,11.7
9495,L_methionine,bmse000044,3,32.3948,11.02
9496,L_methionine,bmse000044,4,31.5117,12.5
9497,L_methionine,bmse000044,5,16.6207,5.66
9498,L_phenylalanine,bmse000045,1,137.8245,2.32
9499,L_phenylalanine,bmse000045,2,132.08,12.5
9500,L_phenylalanine,bmse000045,3,131.8234,9.6
9501,L_phenylalanine,bmse000045,4,130.4017,5.37
9502,L_phenylalanine,bmse000045,5,58.7477,5.25
9503,L_phenylalanine,bmse000045,6,39.0993,5.55
9504,L_proline,bmse000047,1,177.4144,1.3
9505,L_proline,bmse000047,2,63.9229,11.05
9506,L_proline,bmse000047,3,48.7631,9.32
9507,L_proline,bmse000047,4,31.6863,12.5
9508,L_proline,bmse000047,5,26.4548,9.6
9509,L_serine,bmse000048,1,62.8928,12.5
9510,L_serine,bmse000048,2,59.0815,8.62
9511,L_threonine,bmse000049,1,175.6411,1.16
9512,L_threonine,bmse000049,2,68.6408,12.03
9513,L_threonine,bmse000049,3,63.1368,12.5
9514,L_threonine,bmse000049,4,22.1352,12.2
9515,L_tryptophan,bmse000050,1,177.255,2.71
9516,L_tryptophan,bmse000050,2,139.0401,1.59
9517,L_tryptophan,bmse000050,3,129.3512,1.89
9518,L_tryptophan,bmse000050,4,127.7463,10.84
9519,L_tryptophan,bmse000050,5,124.8346,12.27
9520,L_tryptophan,bmse000050,6,122.1638,12.5
9521,L_tryptophan,bmse000050,7,121.1566,12.38
9522,L_tryptophan,bmse000050,8,114.6587,10.23
9523,L_tryptophan,bmse000050,9,110.1782,4.04
9524,L_tryptophan,bmse000050,10,57.7537,11.28
9525,L_tryptophan,bmse000050,11,29.1016,11.57
9526,L_tyrosine,bmse000051,1,184.1279,1.35
9527,L_tyrosine,bmse000051,2,163.7886,1.13
9528,L_tyrosine,bmse000051,3,133.3998,10.61
9529,L_tyrosine,bmse000051,4,128.0459,2.21
9530,L_tyrosine,bmse000051,5,120.2955,12.5
9531,L_tyrosine,bmse000051,6,60.0412,5.12
9532,L_tyrosine,bmse000051,7,41.8233,4.45
9533,L_valine,bmse000052,1,63.0706,10.1
9534,L_valine,bmse000052,2,31.7958,11.73
9535,L_valine,bmse000052,3,20.6547,12.29
9536,L_valine,bmse000052,4,19.3267,12.5
9537,D_mannitol,bmse000099,1,73.4901,12.5
9538,D_mannitol,bmse000099,2,71.9258,8.62
9539,D_mannitol,bmse000099,3,65.9197,11.81
9540,meso_erythritol,bmse000100,1,74.6159,12.5
9541,meso_erythritol,bmse000100,2,65.309,8.37
9542,methyl_oxobutanoic_acid,bmse000101,1,39.7045,5.48
9543,methyl_oxobutanoic_acid,bmse000101,2,19.0607,12.5
9544,muco_inositol,bmse000102,1,75.0137,6.8
9545,muco_inositol,bmse000102,2,72.8728,12.5
9546,myo_inositol,bmse000103,1,77.0519,5.9
9547,myo_inositol,bmse000103,2,75.1054,12.5
9548,myo_inositol,bmse000103,3,74.8867,4.4
9549,myo_inositol,bmse000103,4,73.8316,10.8
9550,NAD,bmse000053,1,167.8653,3.69
9551,NAD,bmse000053,2,158.0181,4.21
9552,NAD,bmse000053,3,155.468,8.5
9553,NAD,bmse000053,4,151.5966,5.8
9554,NAD,bmse000053,5,148.4441,6.77
9555,NAD,bmse000053,6,145.0618,5.64
9556,NAD,bmse000053,7,142.6338,5.11
9557,NAD,bmse000053,8,142.3914,7.13
9558,NAD,bmse000053,9,136.3277,6.28
9559,NAD,bmse000053,10,131.3233,7.72
9560,NAD,bmse000053,11,121.0165,3.15
9561,NAD,bmse000053,12,102.7367,9.04
9562,NAD,bmse000053,13,89.7361,5.45
9563,NAD,bmse000053,14,89.6488,5.15
9564,NAD,bmse000053,15,89.3547,10.54
9565,NAD,bmse000053,16,86.5859,5.25
9566,NAD,bmse000053,17,86.4979,5.24
9567,NAD,bmse000053,18,80.3065,12.5
9568,NAD,bmse000053,19,76.6526,12.24
9569,NAD,bmse000053,20,73.2929,11.75
9570,NAD,bmse000053,21,73.0829,11.48
9571,NAD,bmse000053,22,68.1579,4.36
9572,NAD,bmse000053,23,68.1059,4.27
9573,NAD,bmse000053,24,67.6491,4.7
9574,NAD,bmse000053,25,67.5973,4.24
9575,NADH,bmse000054,1,175.3474,5.48
9576,NADH,bmse000054,2,158.1968,4.24
9577,NADH,bmse000054,3,155.4171,8.83
9578,NADH,bmse000054,4,151.5844,5.71
9579,NADH,bmse000054,5,142.3515,6.8
9580,NADH,bmse000054,6,141.1257,9.71
9581,NADH,bmse000054,7,126.4094,7.79
9582,NADH,bmse000054,8,121.2963,4.16
9584,NADH,bmse000054,10,102.5371,7.01
9585,NADH,bmse000054,11,97.7448,9.22
9586,NADH,bmse000054,12,89.7936,11.06
9587,NADH,bmse000054,13,86.3582,5.51
9588,NADH,bmse000054,14,85.0981,5.6
9589,NADH,bmse000054,15,77.2518,12.23
9590,NADH,bmse000054,16,73.4643,12.14
9591,NADH,bmse000054,17,73.2824,12.5
9592,NADH,bmse000054,18,72.9239,9.04
9593,NADH,bmse000054,19,68.6321,4.65
9594,NADH,bmse000054,20,67.8556,4.52
9595,NADH,bmse000054,21,24.5551,8.23
9596,NADH,bmse000054,22,19.5029,3.45
9597,NADPH,bmse000055,1,175.4549,3.91
9598,NADPH,bmse000055,2,158.2562,4.4
9599,NADPH,bmse000055,3,155.3726,8.4
9600,NADPH,bmse000055,4,151.6612,4.78
9601,NADPH,bmse000055,5,142.7666,6.52
9602,NADPH,bmse000055,6,141.0746,8.37
9603,NADPH,bmse000055,7,126.4637,8.6
9604,NADPH,bmse000055,8,108.0154,8.41
9605,NADPH,bmse000055,9,102.5834,6.37
9606,NADPH,bmse000055,10,97.6847,9.4
9607,NADPH,bmse000055,11,89.5671,4.71
9608,NADPH,bmse000055,12,89.4832,4.7
9609,NADPH,bmse000055,13,85.6232,4.52
9610,NADPH,bmse000055,14,85.136,4.45
9611,NADPH,bmse000055,15,79.2632,4.94
9612,NADPH,bmse000055,16,73.4756,12.5
9613,NADPH,bmse000055,17,73.324,11.5
9614,NADPH,bmse000055,18,72.7309,8.21
9615,NADPH,bmse000055,19,68.5416,4.39
9616,NADPH,bmse000055,20,67.9571,5.25
9617,NADPH,bmse000055,21,24.6213,6.74
9618,niacin,bmse000104,1,176.0593,0.88
9619,niacin,bmse000104,2,153.1473,12.5
9620,niacin,bmse000104,3,151.7346,9.43
9621,niacin,bmse000104,4,140.3918,11.16
9622,niacin,bmse000104,5,135.0395,2.37
9623,niacin,bmse000104,6,126.6461,10.94
9624,nicotine,bmse000105,1,152.9553,11.86
9625,nicotine,bmse000105,2,151.8079,8.39
9626,nicotine,bmse000105,3,139.9786,11.24
9627,nicotine,bmse000105,4,132.2848,2.82
9628,nicotine,bmse000105,5,127.6138,11.08
9629,nicotine,bmse000105,6,72.3903,8.23
9630,nicotine,bmse000105,7,58.7754,9.8
9631,nicotine,bmse000105,8,40.9138,11.41
9632,nicotine,bmse000105,9,33.0757,8.96
9633,nicotine,bmse000105,10,24.2203,12.5
9634,N_acetylneuraminic_acid,bmse000057,1,179.4931,2.99
9635,N_acetylneuraminic_acid,bmse000057,2,177.4691,5.36
9636,N_acetylneuraminic_acid,bmse000057,3,99.1066,6.81
9637,N_acetylneuraminic_acid,bmse000057,4,73.0136,10.35
9638,N_acetylneuraminic_acid,bmse000057,5,72.9084,11.02
9639,N_acetylneuraminic_acid,bmse000057,6,71.2583,9.48
9640,N_acetylneuraminic_acid,bmse000057,7,70.0063,10.08
9641,N_acetylneuraminic_acid,bmse000057,8,66.0063,10.13
9642,N_acetylneuraminic_acid,bmse000057,9,54.9693,12.5
9643,N_acetylneuraminic_acid,bmse000057,10,42.0905,8.84
9644,N_acetylneuraminic_acid,bmse000057,11,24.8195,11.34
9645,N_acetyl_D_mannosamine,bmse000056,1,178.4248,1.93
9646,N_acetyl_D_mannosamine,bmse000056,2,177.4968,2.6
9647,N_acetyl_D_mannosamine,bmse000056,3,95.8209,8.31
9648,N_acetyl_D_mannosamine,bmse000056,4,95.688,9.13
9649,N_acetyl_D_mannosamine,bmse000056,5,79.0399,10.23
9650,N_acetyl_D_mannosamine,bmse000056,6,74.7525,9.08
9651,N_acetyl_D_mannosamine,bmse000056,7,74.6939,8.91
9652,N_acetyl_D_mannosamine,bmse000056,8,71.5593,11.26
9653,N_acetyl_D_mannosamine,bmse000056,9,69.4618,11.11
9654,N_acetyl_D_mannosamine,bmse000056,10,69.1894,8.23
9655,N_acetyl_D_mannosamine,bmse000056,11,63.0714,12.5
9656,N_acetyl_D_mannosamine,bmse000056,12,56.7834,6.76
9657,N_acetyl_D_mannosamine,bmse000056,13,55.9143,11.74
9658,N_acetyl_D_mannosamine,bmse000056,14,24.7467,6.42
9659,N_acetyl_D_mannosamine,bmse000056,15,24.6103,7.83
9660,oxalate,bmse000106,1,176.1386,12.5
9661,O_succinyl_L_homoserine,bmse000058,1,183.8863,2.56
9662,O_succinyl_L_homoserine,bmse000058,2,178.3647,2.14
9663,O_succinyl_L_homoserine,bmse000058,3,176.7702,2.64
9664,O_succinyl_L_homoserine,bmse000058,4,64.4599,9.53
9665,O_succinyl_L_homoserine,bmse000058,5,55.5165,8.79
9666,O_succinyl_L_homoserine,bmse000058,6,35.6935,1.47
9667,O_succinyl_L_homoserine,bmse000058,7,34.6435,11.39
9668,O_succinyl_L_homoserine,bmse000058,8,33.1998,12.5
9669,O_succinyl_L_homoserine,bmse000058,9,32.0477,7.9
9670,phosphoenolpyruvic_acid,bmse000107,1,152.4983,4.37
9671,phosphoenolpyruvic_acid,bmse000107,2,152.4267,2.42
9672,phosphoenolpyruvic_acid,bmse000107,3,102.8677,10.91
9673,phosphoenolpyruvic_acid,bmse000107,4,102.8401,12.5
9674,prephenic_acid,bmse000108,1,134.012,12.19
9675,prephenic_acid,bmse000108,2,130.3553,12.5
9676,prephenic_acid,bmse000108,3,64.0727,7.77
9677,prephenic_acid,bmse000108,4,51.2462,2.5
9678,prephenic_acid,bmse000108,5,50.6545,5.86
9679,putrescine,bmse000109,1,41.551,11.73
9680,putrescine,bmse000109,2,26.5984,12.5
9681,pyridoxal,bmse000110,1,161.5671,1.78
9682,pyridoxal,bmse000110,2,148.0785,2.3
9683,pyridoxal,bmse000110,3,140.9568,3.28
9684,pyridoxal,bmse000110,4,139.5279,4.52
9685,pyridoxal,bmse000110,5,120.0727,6.07
9686,pyridoxal,bmse000110,6,102.0212,10.48
9687,pyridoxal,bmse000110,7,72.5072,12.5
9688,pyridoxal,bmse000110,8,17.5108,7.09
9689,pyridoxal_5_phosphate,bmse000111,1,198.7901,4.06
9690,pyridoxal_5_phosphate,bmse000111,2,154.2739,7.56
9691,pyridoxal_5_phosphate,bmse000111,3,139.0553,2.73
9692,pyridoxal_5_phosphate,bmse000111,4,138.9802,2.7
9693,pyridoxal_5_phosphate,bmse000111,5,128.8539,3.48
9694,pyridoxal_5_phosphate,bmse000111,6,126.7748,3.24
9695,pyridoxal_5_phosphate,bmse000111,7,91.4524,2.95
9696,pyridoxal_5_phosphate,bmse000111,8,64.4322,9.86
9697,pyridoxal_5_phosphate,bmse000111,9,64.3954,7.79
9698,pyridoxal_5_phosphate,bmse000111,10,18.7125,12.5
9699,pyridoxal_5_phosphate,bmse000111,11,17.3618,2.26
9700,pyridoxamine,bmse000130,1,165.5851,1.63
9701,pyridoxamine,bmse000130,2,148.1236,2.38
9702,pyridoxamine,bmse000130,3,138.2661,5.06
9703,pyridoxamine,bmse000130,4,134.7636,2.63
9704,pyridoxamine,bmse000130,5,126.6506,8.52
9705,pyridoxamine,bmse000130,6,61.8257,9.73
9706,pyridoxamine,bmse000130,7,39.2287,12.5
9707,pyridoxamine,bmse000130,8,18.1093,10.27
9708,pyridoxamine_5_phosphate,bmse000131,1,165.6996,3.42
9709,pyridoxamine_5_phosphate,bmse000131,2,147.3396,4.49
9710,pyridoxamine_5_phosphate,bmse000131,3,137.5932,4.37
9711,pyridoxamine_5_phosphate,bmse000131,4,137.5201,3.66
9712,pyridoxamine_5_phosphate,bmse000131,5,135.8735,6.9
9713,pyridoxamine_5_phosphate,bmse000131,6,125.9833,8.38
9714,pyridoxamine_5_phosphate,bmse000131,7,64.3374,8.14
9715,pyridoxamine_5_phosphate,bmse000131,8,64.2962,7.45
9716,pyridoxamine_5_phosphate,bmse000131,9,38.955,12.5
9717,pyridoxamine_5_phosphate,bmse000131,10,17.7372,11.91
9718,scyllo_inositol,bmse000113,1,76.2821,12.5
9719,shikimic_acid,bmse000114,1,178.0757,1.84
9720,shikimic_acid,bmse000114,2,138.7121,3.69
9721,shikimic_acid,bmse000114,3,133.2065,8.63
9722,shikimic_acid,bmse000114,4,74.7462,8.91
9723,shikimic_acid,bmse000114,5,69.5201,11.73
9724,shikimic_acid,bmse000114,6,68.9871,12.5
9725,shikimic_acid,bmse000114,7,35.3685,8.86
9726,D_sorbitol,bmse000115,1,75.6364,11.8
9727,D_sorbitol,bmse000115,2,73.7844,11.91
9728,D_sorbitol,bmse000115,3,73.6628,11.46
9729,D_sorbitol,bmse000115,4,72.3478,12.5
9730,D_sorbitol,bmse000115,5,65.5074,7.86
9731,D_sorbitol,bmse000115,6,65.1126,9.65
9732,spermidine,bmse000116,1,49.7685,12.5
9733,spermidine,bmse000116,2,47.255,9.6
9734,spermidine,bmse000116,3,41.5152,10.94
9735,spermidine,bmse000116,4,39.2998,10.61
9736,spermidine,bmse000116,5,26.64,10.09
9737,spermidine,bmse000116,6,26.5227,9.51
9738,spermidine,bmse000116,7,25.4882,11.59
9739,spermine,bmse000117,1,50.4642,10.16
9740,spermine,bmse000117,2,48.3361,12.5
9741,spermine,bmse000117,3,40.6981,12.1
9742,spermine,bmse000117,4,30.823,7.1
9743,spermine,bmse000117,5,27.6835,10.97
9744,succinic_acid,bmse000118,1,185.1648,1.78
9745,succinic_acid,bmse000118,2,36.8897,12.5
9746,sucrose,bmse000119,1,106.3887,6.15
9747,sucrose,bmse000119,2,94.8829,11.39
9748,sucrose,bmse000119,3,84.0666,11.94
9749,sucrose,bmse000119,4,79.0967,11.54
9750,sucrose,bmse000119,5,76.6892,12.13
9751,sucrose,bmse000119,6,75.2562,11.56
9752,sucrose,bmse000119,7,75.107,12.4
9753,sucrose,bmse000119,8,73.7694,11.94
9754,sucrose,bmse000119,9,71.9114,12.5
9755,sucrose,bmse000119,10,65.0741,11.11
9756,sucrose,bmse000119,11,64.0305,10.38
9757,sucrose,bmse000119,12,62.8059,9.96
9758,S_adenosyl_L_methionine,bmse000059,1,177.2049,1.06
9759,S_adenosyl_L_methionine,bmse000059,2,175.5374,3.57
9760,S_adenosyl_L_methionine,bmse000059,3,158.2573,4.07
9761,S_adenosyl_L_methionine,bmse000059,4,158.1473,1.23
9762,S_adenosyl_L_methionine,bmse000059,5,155.5574,8.68
9763,S_adenosyl_L_methionine,bmse000059,6,155.4871,3.71
9764,S_adenosyl_L_methionine,bmse000059,7,154.9459,1.28
9765,S_adenosyl_L_methionine,bmse000059,8,151.4918,1.4
9766,S_adenosyl_L_methionine,bmse000059,9,151.3094,4.84
9767,S_adenosyl_L_methionine,bmse000059,10,143.3489,7.53
9768,S_adenosyl_L_methionine,bmse000059,11,142.6447,2.96
9769,S_adenosyl_L_methionine,bmse000059,12,121.7408,3.05
9770,S_adenosyl_L_methionine,bmse000059,13,91.8,12.5
9771,S_adenosyl_L_methionine,bmse000059,14,90.1262,1.08
9772,S_adenosyl_L_methionine,bmse000059,15,90.0407,3.67
9773,S_adenosyl_L_methionine,bmse000059,16,85.9474,3.7
9774,S_adenosyl_L_methionine,bmse000059,17,81.4782,2.83
9775,S_adenosyl_L_methionine,bmse000059,18,80.8642,9.06
9776,S_adenosyl_L_methionine,bmse000059,19,76.1774,4.19
9777,S_adenosyl_L_methionine,bmse000059,20,75.6933,3.46
9778,S_adenosyl_L_methionine,bmse000059,21,75.4417,10.55
9779,S_adenosyl_L_methionine,bmse000059,22,75.2896,11.21
9780,S_adenosyl_L_methionine,bmse000059,23,75.2102,3.9
9781,S_adenosyl_L_methionine,bmse000059,24,75.0576,4.66
9782,S_adenosyl_L_methionine,bmse000059,25,61.3914,4.52
9783,S_adenosyl_L_methionine,bmse000059,26,60.181,3.6
9784,S_adenosyl_L_methionine,bmse000059,27,56.1328,4.11
9785,S_adenosyl_L_methionine,bmse000059,28,55.5398,11.64
9786,S_adenosyl_L_methionine,bmse000059,29,55.4732,3.85
9787,S_adenosyl_L_methionine,bmse000059,30,51.6245,1.02
9788,S_adenosyl_L_methionine,bmse000059,31,47.0027,7.3
9789,S_adenosyl_L_methionine,bmse000059,32,41.6503,2.53
9790,S_adenosyl_L_methionine,bmse000059,33,41.5608,8
9791,S_adenosyl_L_methionine,bmse000059,34,39.296,1.04
9792,S_adenosyl_L_methionine,bmse000059,35,38.5747,3.27
9793,S_adenosyl_L_methionine,bmse000059,36,34.9032,4.07
9794,S_adenosyl_L_methionine,bmse000059,37,28.138,8.12
9795,S_adenosyl_L_methionine,bmse000059,38,27.9802,2.58
9796,S_adenosyl_L_methionine,bmse000059,39,26.5384,1.05
9797,S_adenosyl_L_methionine,bmse000059,40,26.4688,3.89
9798,S_adenosyl_L_methionine,bmse000059,41,26.1398,11.37
9799,S_adenosyl_L_methionine,bmse000059,42,19.5416,3.82
9800,S_adenosyl_L_methionine,bmse000059,43,18.0425,2.93
9801,taurine,bmse000120,1,50.2124,12.5
9802,taurine,bmse000120,2,38.0682,11.7
9803,L_threitol,bmse000121,1,74.3047,12.5
9804,L_threitol,bmse000121,2,65.3263,12.42
9805,trans_4_hydroxy_L_proline,bmse000123,1,177.0263,1.29
9806,trans_4_hydroxy_L_proline,bmse000123,2,72.7686,12.34
9807,trans_4_hydroxy_L_proline,bmse000123,3,62.5265,8.41
9808,trans_4_hydroxy_L_proline,bmse000123,4,55.643,12.5
9809,trans_4_hydroxy_L_proline,bmse000123,5,40.1298,9.82
9810,trans_cinnamic_acid,bmse000124,1,143.5556,4.31
9811,trans_cinnamic_acid,bmse000124,2,137.8775,1.34
9812,trans_cinnamic_acid,bmse000124,3,132.3324,6.15
9813,trans_cinnamic_acid,bmse000124,4,131.6902,9.94
9814,trans_cinnamic_acid,bmse000124,5,130.4135,12.5
9815,trans_cinnamic_acid,bmse000124,6,126.8267,3.92
9816,D_trehalose,bmse000125,1,95.9171,12.5
9817,D_trehalose,bmse000125,2,75.2081,11.88
9818,D_trehalose,bmse000125,3,74.8491,10.1
9819,D_trehalose,bmse000125,4,73.7422,9.97
9820,D_trehalose,bmse000125,5,72.3894,11.58
9821,D_trehalose,bmse000125,6,63.2132,8.55
9822,uric_acid,bmse000126,1,167.6653,6.04
9823,uric_acid,bmse000126,2,165.3393,12.5
9824,uric_acid,bmse000126,3,162.2146,6.72
9825,uric_acid,bmse000126,4,156.4958,8.87
9826,uric_acid,bmse000126,5,104.5779,6.55
9827,xanthine,bmse000127,1,163.3303,1.9
9828,xanthine,bmse000127,2,161.9958,1.23
9829,xanthine,bmse000127,3,158.0123,1.54
9830,xanthine,bmse000127,4,142.7225,12.5
9831,xanthine,bmse000127,5,116.2503,1.15
9832,xanthosine,bmse000128,1,163.7475,1.41
9833,xanthosine,bmse000128,2,162.2764,1.3
9834,xanthosine,bmse000128,3,155.8547,2.56
9835,xanthosine,bmse000128,4,140.0607,9.27
9836,xanthosine,bmse000128,5,118.2068,1.28
9837,xanthosine,bmse000128,6,90.6608,11.73
9838,xanthosine,bmse000128,7,88.5324,12.41
9839,xanthosine,bmse000128,8,75.9737,12.5
9840,xanthosine,bmse000128,9,73.5577,11.03
9841,xanthosine,bmse000128,10,64.3556,8.81
9842,xylitol,bmse000129,1,74.6275,11.33
9843,xylitol,bmse000129,2,73.4743,6.7
9844,xylitol,bmse000129,3,65.3143,12.5
9845,tyramine,bmse000243,1,157.2984,1.41
9846,tyramine,bmse000243,2,132.9956,12.5
9847,tyramine,bmse000243,3,131.1649,2.03
9848,tyramine,bmse000243,4,118.5125,12.18
9849,tyramine,bmse000243,5,43.4518,5.34
9850,tyramine,bmse000243,6,34.6329,6.06
9851,L_carnosine,bmse000246,1,180.2008,3.84
9852,L_carnosine,bmse000246,2,174.3323,4.86
9853,L_carnosine,bmse000246,3,137.5197,9.53
9854,L_carnosine,bmse000246,4,134.6631,4.69
9855,L_carnosine,bmse000246,5,119.8491,10.48
9856,L_carnosine,bmse000246,6,57.5784,11.65
9857,L_carnosine,bmse000246,7,38.3703,11.44
9858,L_carnosine,bmse000246,8,34.7671,12.5
9859,L_carnosine,bmse000246,9,30.9947,9.98
9860,glycolate,bmse000245,1,182.6562,5.25
9861,glycolate,bmse000245,2,63.9098,12.5
9862,1_3_dimethylurea,bmse000248,1,29.1399,12.5
9863,D_glucosamine,bmse000247,1,96.7337,8.51
9864,D_glucosamine,bmse000247,2,92.4167,12.41
9865,D_glucosamine,bmse000247,3,78.843,9.89
9866,D_glucosamine,bmse000247,4,75.8685,8.3
9867,D_glucosamine,bmse000247,5,74.3489,12.5
9868,D_glucosamine,bmse000247,6,72.9419,11.22
9869,D_glucosamine,bmse000247,7,72.4037,9.8
9870,D_glucosamine,bmse000247,8,72.3301,12.04
9871,D_glucosamine,bmse000247,9,63.2894,7.62
9872,D_glucosamine,bmse000247,10,63.0782,11.08
9873,D_glucosamine,bmse000247,11,59.6847,8.44
9874,D_glucosamine,bmse000247,12,57.1428,11.73
9875,isethionic_acid,bmse000242,1,59.6397,12.02
9876,isethionic_acid,bmse000242,2,55.5295,12.5
9877,N_N_dimethylglycine,bmse000241,1,62.5717,6.55
9878,N_N_dimethylglycine,bmse000241,2,46.2286,12.5
9879,dihydroxyacetone,bmse000144,1,214.7833,3.78
9880,dihydroxyacetone,bmse000144,2,97.773,1.6
9881,dihydroxyacetone,bmse000144,3,66.2429,12.5
9882,N_acetyl_L_glutamine,bmse000145,1,181.3622,2.37
9883,N_acetyl_L_glutamine,bmse000145,2,181.1277,3.44
9884,N_acetyl_L_glutamine,bmse000145,3,176.3862,3.32
9885,N_acetyl_L_glutamine,bmse000145,4,57.3658,12.5
9886,N_acetyl_L_glutamine,bmse000145,5,34.4405,9.75
9887,N_acetyl_L_glutamine,bmse000145,6,30.4549,10.18
9888,N_acetyl_L_glutamine,bmse000145,7,24.6247,9.17
9889,ADA,bmse000146,1,180.0279,1.66
9890,ADA,bmse000146,2,60.0622,12.5
9891,ADA,bmse000146,3,59.955,1.44
9892,4_aminoantipyrine,bmse000147,1,144.7673,1.72
9893,4_aminoantipyrine,bmse000147,2,135.763,1.74
9894,4_aminoantipyrine,bmse000147,3,132.3952,12.5
9895,4_aminoantipyrine,bmse000147,4,131.8174,5.85
9896,4_aminoantipyrine,bmse000147,5,129.3212,12.35
9897,4_aminoantipyrine,bmse000147,6,37.2322,4.81
9898,4_aminoantipyrine,bmse000147,7,11.7408,4.42
9899,acetylcarnitine,bmse000142,1,179.354,4.03
9900,acetylcarnitine,bmse000142,2,175.4615,4.06
9901,acetylcarnitine,bmse000142,3,70.835,4.53
9902,acetylcarnitine,bmse000142,4,69.5734,12.5
9903,acetylcarnitine,bmse000142,5,56.5103,12.2
9904,acetylcarnitine,bmse000142,6,42.9071,9.73
9905,acetylcarnitine,bmse000142,7,23.3168,9.11
9906,5_acetylamido_2_chloroaniline,bmse000143,1,139.2064,3.06
9907,5_acetylamido_2_chloroaniline,bmse000143,2,132.3826,12.5
9908,5_acetylamido_2_chloroaniline,bmse000143,3,116.2078,11.5
9909,5_acetylamido_2_chloroaniline,bmse000143,4,112.9825,11.85
9910,5_acetylamido_2_chloroaniline,bmse000143,5,25.522,8.76
9911,uracil,bmse000187,1,170.2202,1.35
9912,uracil,bmse000187,2,146.2032,10.52
9913,uracil,bmse000187,3,103.7407,12.5
9914,cytidine,bmse000190,1,168.8862,2.92
9915,cytidine,bmse000190,2,160.3399,2.39
9916,cytidine,bmse000190,3,144.3268,8.93
9917,cytidine,bmse000190,4,98.9421,9.02
9918,cytidine,bmse000190,5,92.9764,11.59
9919,cytidine,bmse000190,6,86.4726,11.93
9920,cytidine,bmse000190,7,76.6665,12.26
9921,cytidine,bmse000190,8,71.9801,12.5
9922,cytidine,bmse000190,9,63.4255,9.89
9923,propionic_acid,bmse000179,1,187.7472,2.27
9924,propionic_acid,bmse000179,2,33.4143,12.5
9925,propionic_acid,bmse000179,3,12.8911,11.53
9926,cytosine,bmse000180,1,170.1095,1.09
9927,cytosine,bmse000180,2,145.8461,10.28
9928,cytosine,bmse000180,3,97.8181,12.5
9929,3_hydroxybutyrate,bmse000161,1,183.1934,2.18
9930,3_hydroxybutyrate,bmse000161,2,68.3994,9.53
9931,3_hydroxybutyrate,bmse000161,3,49.2195,12.5
9932,3_hydroxybutyrate,bmse000161,4,24.4317,11.28
9933,sarcosine,bmse000160,1,174.1787,1.69
9934,sarcosine,bmse000160,2,53.5151,12.5
9935,sarcosine,bmse000160,3,35.3495,10.56
9936,beta_alanine,bmse000159,1,181.1398,1.61
9937,beta_alanine,bmse000159,2,39.2339,9.51
9938,beta_alanine,bmse000159,3,36.2855,12.5
9939,uridine,bmse000158,1,169.0394,2.54
9940,uridine,bmse000158,2,154.4569,2.08
9941,uridine,bmse000158,3,144.529,8.58
9942,uridine,bmse000158,4,104.9743,9.81
9943,uridine,bmse000158,5,92.0363,11.1
9944,uridine,bmse000158,6,86.9005,11.88
9945,uridine,bmse000158,7,76.3651,11.81
9946,uridine,bmse000158,8,72.0985,12.5
9947,uridine,bmse000158,9,63.4211,9.74
9948,N_acetyl_L_alanine,bmse000157,1,183.142,2.18
9949,N_acetyl_L_alanine,bmse000157,2,176.0277,2.41
9950,N_acetyl_L_alanine,bmse000157,3,53.6895,12.5
9951,N_acetyl_L_alanine,bmse000157,4,24.5618,8.98
9952,N_acetyl_L_alanine,bmse000157,5,20.0042,11.11
9953,trimethyl_phosphonoacetate,bmse000156,1,56.6257,8.02
9954,trimethyl_phosphonoacetate,bmse000156,2,56.5607,8.02
9955,trimethyl_phosphonoacetate,bmse000156,3,55.9903,12.5
9956,creatinine,bmse000155,1,191.713,2.26
9957,creatinine,bmse000155,2,59.1239,12.5
9958,creatinine,bmse000155,3,58.8527,2.53
9959,creatinine,bmse000155,4,58.6295,1.96
9960,creatinine,bmse000155,5,32.9001,9.73
9961,4_2_aminoethyl_morpholine,bmse000154,1,68.8872,12.21
9962,4_2_aminoethyl_morpholine,bmse000154,2,56.9694,6.45
9963,4_2_aminoethyl_morpholine,bmse000154,3,55.1945,12.5
9964,4_2_aminoethyl_morpholine,bmse000154,4,38.3707,5.31
9965,L_methionine_methylsulfonium_iodide,bmse000153,1,176.1278,2.46
9966,L_methionine_methylsulfonium_iodide,bmse000153,2,55.6328,12.37
9967,L_methionine_methylsulfonium_iodide,bmse000153,3,42.2714,10.53
9968,L_methionine_methylsulfonium_iodide,bmse000153,4,28.1127,10.06
9969,L_methionine_methylsulfonium_iodide,bmse000153,5,27.4753,11.87
9970,L_methionine_methylsulfonium_iodide,bmse000153,6,27.4428,12.5
9971,trigonelline,bmse000152,1,170.5429,1.63
9972,trigonelline,bmse000152,2,148.7294,3.53
9973,trigonelline,bmse000152,3,148.5432,3.12
9974,trigonelline,bmse000152,4,147.4509,9.81
9975,trigonelline,bmse000152,5,139.591,3.58
9976,trigonelline,bmse000152,6,130.3808,12.5
9977,trigonelline,bmse000152,7,50.9868,3.8
9978,L_kynurenine,bmse000172,1,202.7838,4.18
9979,L_kynurenine,bmse000172,2,176.9655,3.82
9980,L_kynurenine,bmse000172,3,153.0281,3.8
9981,L_kynurenine,bmse000172,4,138.3201,10.63
9982,L_kynurenine,bmse000172,5,134.0077,10.47
9983,L_kynurenine,bmse000172,6,120.7487,12.5
9984,L_kynurenine,bmse000172,7,120.1347,3.19
9985,L_kynurenine,bmse000172,8,119.5469,11.71
9986,L_kynurenine,bmse000172,9,53.4373,9.6
9987,L_kynurenine,bmse000172,10,53.3893,1.75
9988,L_kynurenine,bmse000172,11,41.6724,9.4
9989,4_hydroxyphenethyl_alcohol,bmse000173,1,156.5231,1.3
9990,4_hydroxyphenethyl_alcohol,bmse000173,2,133.6531,2.03
9991,4_hydroxyphenethyl_alcohol,bmse000173,3,133.0108,12.05
9992,4_hydroxyphenethyl_alcohol,bmse000173,4,118.0973,12.5
9993,4_hydroxyphenethyl_alcohol,bmse000173,5,65.4628,5.4
9994,4_hydroxyphenethyl_alcohol,bmse000173,6,39.6054,5.27
9995,L_glutathione_oxidized,bmse000170,1,179.0431,5.08
9996,L_glutathione_oxidized,bmse000170,2,177.7295,7.27
9997,L_glutathione_oxidized,bmse000170,3,176.8436,5.71
9998,L_glutathione_oxidized,bmse000170,4,174.576,7.14
9999,L_glutathione_oxidized,bmse000170,5,56.7983,12.5
10000,L_glutathione_oxidized,bmse000170,6,55.2962,6.93
10001,L_glutathione_oxidized,bmse000170,7,46.1769,10
10002,L_glutathione_oxidized,bmse000170,8,41.3939,5.3
10003,L_glutathione_oxidized,bmse000170,9,34.0976,8.71
10004,L_glutathione_oxidized,bmse000170,10,28.9834,9.22
10005,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,1,137.9087,2.24
10006,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,2,137.8673,2.37
10007,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,3,131.376,12.5
10008,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,4,131.3613,12.49
10009,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,5,130.699,5.71
10010,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,6,130.6797,5.71
10011,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,7,130.3647,10.88
10012,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,8,130.3201,11.19
10013,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,9,58.3213,5.52
10014,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,10,57.0571,5.41
10015,2_amino_5_ethyl_1_3_4_thiadiazole,bmse000176,1,168.4472,1.23
10016,2_amino_5_ethyl_1_3_4_thiadiazole,bmse000176,2,25.8692,12.5
10017,2_amino_5_ethyl_1_3_4_thiadiazole,bmse000176,3,15.8228,11.49
10018,indole_3_acetic_acid,bmse000177,1,184.4014,2.14
10019,indole_3_acetic_acid,bmse000177,2,138.8639,1.78
10020,indole_3_acetic_acid,bmse000177,3,129.8341,1.84
10021,indole_3_acetic_acid,bmse000177,4,126.7302,9.37
10022,indole_3_acetic_acid,bmse000177,5,124.4124,12.5
10023,indole_3_acetic_acid,bmse000177,6,121.7961,11.6
10024,indole_3_acetic_acid,bmse000177,7,121.3961,11.96
10025,indole_3_acetic_acid,bmse000177,8,114.4077,11.75
10026,indole_3_acetic_acid,bmse000177,9,113.0393,2.26
10027,indole_3_acetic_acid,bmse000177,10,36.6627,11.8
10028,5_acetylamino_2_nitrobenzoic_acid,bmse000174,1,177.1121,2.86
10029,5_acetylamino_2_nitrobenzoic_acid,bmse000174,2,175.8429,2.97
10030,5_acetylamino_2_nitrobenzoic_acid,bmse000174,3,146.1205,4.91
10031,5_acetylamino_2_nitrobenzoic_acid,bmse000174,4,142.1751,2.25
10032,5_acetylamino_2_nitrobenzoic_acid,bmse000174,5,140.3992,5.19
10033,5_acetylamino_2_nitrobenzoic_acid,bmse000174,6,135.1671,1.17
10034,5_acetylamino_2_nitrobenzoic_acid,bmse000174,7,128.5755,12.5
10035,5_acetylamino_2_nitrobenzoic_acid,bmse000174,8,122.2003,7.85
10036,5_acetylamino_2_nitrobenzoic_acid,bmse000174,9,120.5307,8.5
10037,5_acetylamino_2_nitrobenzoic_acid,bmse000174,10,26.0734,7.9
10038,inosine_5_monophosphate,bmse000175,1,161.425,3.75
10039,inosine_5_monophosphate,bmse000175,2,151.4802,4.81
10040,inosine_5_monophosphate,bmse000175,3,149.0993,9.26
10041,inosine_5_monophosphate,bmse000175,4,142.6513,8.28
10042,inosine_5_monophosphate,bmse000175,5,126.224,3.55
10043,inosine_5_monophosphate,bmse000175,6,90.0513,11.57
10044,inosine_5_monophosphate,bmse000175,7,87.5897,6.17
10045,inosine_5_monophosphate,bmse000175,8,87.5029,6.25
10046,inosine_5_monophosphate,bmse000175,9,77.4723,12.43
10047,inosine_5_monophosphate,bmse000175,10,73.3415,12.5
10048,inosine_5_monophosphate,bmse000175,11,66.1817,4.69
10049,inosine_5_monophosphate,bmse000175,12,66.1371,4.9
10050,acetylcholine,bmse000168,1,175.9351,1.7
10051,acetylcholine,bmse000168,2,67.2352,3.17
10052,acetylcholine,bmse000168,3,67.2022,3.69
10053,acetylcholine,bmse000168,4,67.1693,3.21
10054,acetylcholine,bmse000168,5,61.0489,9.91
10055,acetylcholine,bmse000168,6,56.5037,10.75
10056,acetylcholine,bmse000168,7,56.4653,12.5
10057,acetylcholine,bmse000168,8,56.4269,11.09
10058,acetylcholine,bmse000168,9,22.907,5.01
10059,L_selenomethionine,bmse000169,1,177.0007,2.6
10060,L_selenomethionine,bmse000169,2,57.4374,11.47
10061,L_selenomethionine,bmse000169,3,33.6291,11.68
10062,L_selenomethionine,bmse000169,4,21.9577,12.5
10063,L_selenomethionine,bmse000169,5,5.9908,6.84
10064,L_carnitine,bmse000211,1,180.7932,2.55
10065,L_carnitine,bmse000211,2,72.8484,3.55
10066,L_carnitine,bmse000211,3,72.8194,4.35
10067,L_carnitine,bmse000211,4,72.7905,3.77
10068,L_carnitine,bmse000211,5,66.787,9.83
10069,L_carnitine,bmse000211,6,56.8352,10.16
10070,L_carnitine,bmse000211,7,56.7971,12.5
10071,L_carnitine,bmse000211,8,56.7587,10.72
10072,L_carnitine,bmse000211,9,45.6836,6.68
10073,2_deoxyguanosine_5_triphosphate,bmse000210,1,161.5994,4.1
10074,2_deoxyguanosine_5_triphosphate,bmse000210,2,156.5483,6.62
10075,2_deoxyguanosine_5_triphosphate,bmse000210,3,153.9201,3.76
10076,2_deoxyguanosine_5_triphosphate,bmse000210,4,140.177,4.97
10077,2_deoxyguanosine_5_triphosphate,bmse000210,5,118.7094,3.56
10078,2_deoxyguanosine_5_triphosphate,bmse000210,6,88.3356,4.95
10079,2_deoxyguanosine_5_triphosphate,bmse000210,7,88.2497,5.03
10080,2_deoxyguanosine_5_triphosphate,bmse000210,8,86.1217,10.42
10081,2_deoxyguanosine_5_triphosphate,bmse000210,9,85.9663,1.24
10082,2_deoxyguanosine_5_triphosphate,bmse000210,10,73.5912,12.5
10083,2_deoxyguanosine_5_triphosphate,bmse000210,11,73.4257,1.36
10084,2_deoxyguanosine_5_triphosphate,bmse000210,12,68.0836,4.3
10085,2_deoxyguanosine_5_triphosphate,bmse000210,13,68.0298,4.01
10086,2_deoxyguanosine_5_triphosphate,bmse000210,14,60.1564,2.92
10087,2_deoxyguanosine_5_triphosphate,bmse000210,15,41.4696,9.7
10088,2_deoxyguanosine_5_triphosphate,bmse000210,16,19.5226,3.19
10089,L_glutathione_reduced,bmse000185,1,179.0844,3.34
10090,L_glutathione_reduced,bmse000185,2,177.7381,6.24
10091,L_glutathione_reduced,bmse000185,3,176.8762,4.09
10092,L_glutathione_reduced,bmse000185,4,174.517,4.49
10093,L_glutathione_reduced,bmse000185,5,58.485,9.28
10094,L_glutathione_reduced,bmse000185,6,56.8252,12.5
10095,L_glutathione_reduced,bmse000185,7,46.0594,11.98
10096,L_glutathione_reduced,bmse000185,8,34.0617,10.25
10097,L_glutathione_reduced,bmse000185,9,28.9279,10.05
10098,L_glutathione_reduced,bmse000185,10,28.2991,8.79
10099,L-ascorbate,bmse000182,1,180.3168,1.43
10100,L-ascorbate,bmse000182,2,178.4832,2.74
10101,L-ascorbate,bmse000182,3,115.802,1.21
10102,L-ascorbate,bmse000182,4,81.1004,12.5
10103,L-ascorbate,bmse000182,5,72.2534,11.82
10104,L-ascorbate,bmse000182,6,65.2522,10.99
10105,glycerol,bmse000184,1,74.7687,5.34
10106,glycerol,bmse000184,2,65.1855,12.5
10107,succinic_acid,bmse000183,1,185.1723,12.5
10108,diethyl_oxalacetate,bmse000148,1,175.4103,2.81
10109,diethyl_oxalacetate,bmse000148,2,174.3091,2.64
10110,diethyl_oxalacetate,bmse000148,3,173.4326,3.11
10111,diethyl_oxalacetate,bmse000148,4,168.1048,3.57
10112,diethyl_oxalacetate,bmse000148,5,163.0751,2.84
10113,diethyl_oxalacetate,bmse000148,6,107.9727,2.93
10114,diethyl_oxalacetate,bmse000148,7,66.4032,12.5
10115,diethyl_oxalacetate,bmse000148,8,64.8073,11.65
10116,diethyl_oxalacetate,bmse000148,9,63.2252,12.35
10117,diethyl_oxalacetate,bmse000148,10,60.1425,6.53
10118,diethyl_oxalacetate,bmse000148,11,19.5054,7.69
10119,diethyl_oxalacetate,bmse000148,12,16.4349,10.31
10120,diethyl_oxalacetate,bmse000148,13,16.0264,10.85
10121,diethyl_oxalacetate,bmse000148,14,15.8307,11.05
10122,diethyl_oxalacetate,bmse000148,15,8.3719,1.46
10123,methyl_4_aminobutyrate,bmse000249,1,178.332,2.3
10124,methyl_4_aminobutyrate,bmse000249,2,55.0318,9.91
10125,methyl_4_aminobutyrate,bmse000249,3,41.3931,9.31
10126,methyl_4_aminobutyrate,bmse000249,4,33.2371,12.5
10127,methyl_4_aminobutyrate,bmse000249,5,24.7364,10.01
10128,acetic_acid,bmse000191,1,25.9921,12.5
10129,DL_alpha_glycerol_phosphate,bmse000193,1,74.017,6.6
10130,DL_alpha_glycerol_phosphate,bmse000193,2,73.9509,6.61
10131,DL_alpha_glycerol_phosphate,bmse000193,3,67.5764,6.42
10132,DL_alpha_glycerol_phosphate,bmse000193,4,67.5279,6.33
10133,DL_alpha_glycerol_phosphate,bmse000193,5,64.9909,12.5
10134,L_arginine_L_glutamate,bmse000194,1,184.0271,2.62
10135,L_arginine_L_glutamate,bmse000194,2,177.3004,2.69
10136,L_arginine_L_glutamate,bmse000194,3,177.2486,3.51
10137,L_arginine_L_glutamate,bmse000194,4,159.5217,1.58
10138,L_arginine_L_glutamate,bmse000194,5,57.3276,11.34
10139,L_arginine_L_glutamate,bmse000194,6,56.9877,12.33
10140,L_arginine_L_glutamate,bmse000194,7,43.187,10.69
10141,L_arginine_L_glutamate,bmse000194,8,36.1773,12.5
10142,L_arginine_L_glutamate,bmse000194,9,30.2821,11.31
10143,L_arginine_L_glutamate,bmse000194,10,29.6813,11.66
10144,L_arginine_L_glutamate,bmse000194,11,26.565,9.36
10145,N_alpha_acetyl_DL_ornithine,bmse000195,1,181.278,2.84
10146,N_alpha_acetyl_DL_ornithine,bmse000195,2,176.3942,3.3
10147,N_alpha_acetyl_DL_ornithine,bmse000195,3,57.2647,12.5
10148,N_alpha_acetyl_DL_ornithine,bmse000195,4,41.7026,11.36
10149,N_alpha_acetyl_DL_ornithine,bmse000195,5,31.2562,11.58
10150,N_alpha_acetyl_DL_ornithine,bmse000195,6,26.1175,10.85
10151,N_alpha_acetyl_DL_ornithine,bmse000195,7,24.6039,9.43
10152,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,1,177.1802,4.22
10153,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,2,100.7816,12.14
10154,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,3,74.3693,12.5
10155,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,4,73.8173,11.87
10156,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,5,72.6604,11.86
10157,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,6,63.2442,9.78
10852,GDP,bmse000270,4,140.2801,1.14
10158,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,7,57.84,10.7
10159,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,8,56.3295,11.36
10160,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,9,24.5939,9.03
10161,N_acetyl_D_glucosamine_1_phosphate,bmse000197,1,177.4262,6.89
10162,N_acetyl_D_glucosamine_1_phosphate,bmse000197,2,95.5064,6.59
10163,N_acetyl_D_glucosamine_1_phosphate,bmse000197,3,95.4519,6.61
10164,N_acetyl_D_glucosamine_1_phosphate,bmse000197,4,74.8112,12.48
10165,N_acetyl_D_glucosamine_1_phosphate,bmse000197,5,74.1248,11.53
10166,N_acetyl_D_glucosamine_1_phosphate,bmse000197,6,72.717,12.5
10167,N_acetyl_D_glucosamine_1_phosphate,bmse000197,7,63.3991,10.48
10168,N_acetyl_D_glucosamine_1_phosphate,bmse000197,8,60.1385,1.19
10169,N_acetyl_D_glucosamine_1_phosphate,bmse000197,9,56.8941,6.31
10170,N_acetyl_D_glucosamine_1_phosphate,bmse000197,10,56.82,5.92
10171,N_acetyl_D_glucosamine_1_phosphate,bmse000197,11,24.8547,11.82
10172,N_acetyl_D_glucosamine_1_phosphate,bmse000197,12,19.5064,1.35
10173,6_phosphogluconic_acid,bmse000198,1,181.6058,3.57
10174,6_phosphogluconic_acid,bmse000198,2,76.871,10.24
10175,6_phosphogluconic_acid,bmse000198,3,74.5728,12.34
10176,6_phosphogluconic_acid,bmse000198,4,73.5923,12.5
10177,6_phosphogluconic_acid,bmse000198,5,73.3427,6.13
10178,6_phosphogluconic_acid,bmse000198,6,73.2817,6
10179,6_phosphogluconic_acid,bmse000198,7,67.8378,5.3
10180,6_phosphogluconic_acid,bmse000198,8,67.7897,5.02
10181,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,1,177.4856,7.09
10182,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,2,169.018,6.26
10183,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,3,154.5678,4.71
10184,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,4,144.3458,8.41
10185,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,5,105.3664,9.76
10186,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,6,97.2217,5.52
10187,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,7,97.1586,5.3
10188,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,8,91.2324,10.4
10189,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,9,85.9265,5.45
10190,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,10,85.8356,5.37
10191,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,11,76.5038,12.5
10192,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,12,75.7265,10.47
10193,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,13,73.618,9.4
10194,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,14,72.3363,12.03
10195,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,15,72.1894,10.68
10196,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,16,67.7104,4.06
10197,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,17,67.6547,4.21
10198,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,18,63.011,8.29
10199,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,19,56.4123,4.85
10200,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,20,56.3279,4.86
10201,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,21,24.8017,11.06
10202,D_glucosamine_6_phosphate,bmse000189,1,96.7641,3.96
10203,D_glucosamine_6_phosphate,bmse000189,2,92.5468,9.11
10204,D_glucosamine_6_phosphate,bmse000189,3,78.573,7.72
10205,D_glucosamine_6_phosphate,bmse000189,4,78.5029,8.09
10206,D_glucosamine_6_phosphate,bmse000189,5,75.3,3.82
10207,D_glucosamine_6_phosphate,bmse000189,6,74.241,8.9
10208,D_glucosamine_6_phosphate,bmse000189,7,74.1735,8.79
10209,D_glucosamine_6_phosphate,bmse000189,8,72.61,7.6
10210,D_glucosamine_6_phosphate,bmse000189,9,72.216,8.01
10211,D_glucosamine_6_phosphate,bmse000189,10,72.0861,11.81
10212,D_glucosamine_6_phosphate,bmse000189,11,65.6945,5.67
10213,D_glucosamine_6_phosphate,bmse000189,12,65.5318,8.2
10214,D_glucosamine_6_phosphate,bmse000189,13,59.9922,8.37
10215,D_glucosamine_6_phosphate,bmse000189,14,57.442,12.5
10216,N_acetyl_D_glucosamine_6_phosphate,bmse000205,1,177.6459,3.99
10217,N_acetyl_D_glucosamine_6_phosphate,bmse000205,2,177.3558,6.21
10218,N_acetyl_D_glucosamine_6_phosphate,bmse000205,3,97.9785,9.64
10219,N_acetyl_D_glucosamine_6_phosphate,bmse000205,4,93.8355,12.5
10220,N_acetyl_D_glucosamine_6_phosphate,bmse000205,5,78.3788,4.55
10221,N_acetyl_D_glucosamine_6_phosphate,bmse000205,6,78.3082,5
10222,N_acetyl_D_glucosamine_6_phosphate,bmse000205,7,76.3335,8.77
10223,N_acetyl_D_glucosamine_6_phosphate,bmse000205,8,74.1312,5.77
10224,N_acetyl_D_glucosamine_6_phosphate,bmse000205,9,74.0636,5.71
10225,N_acetyl_D_glucosamine_6_phosphate,bmse000205,10,73.273,9.62
10226,N_acetyl_D_glucosamine_6_phosphate,bmse000205,11,72.5985,6.43
10227,N_acetyl_D_glucosamine_6_phosphate,bmse000205,12,72.4066,4.3
10228,N_acetyl_D_glucosamine_6_phosphate,bmse000205,13,65.8183,6.34
10229,N_acetyl_D_glucosamine_6_phosphate,bmse000205,14,59.7314,6.92
10230,N_acetyl_D_glucosamine_6_phosphate,bmse000205,15,57.09,11.32
10231,N_acetyl_D_glucosamine_6_phosphate,bmse000205,16,25.09,7.17
10232,N_acetyl_D_glucosamine_6_phosphate,bmse000205,17,24.8284,8.82
10233,N_acetyl_D_glucosamine_6_phosphate,bmse000205,18,24.6366,2.13
10234,N_acetyl_D_glucosamine_6_phosphate,bmse000205,19,8.3826,2.3
10235,formate,bmse000203,1,173.8915,12.5
10236,HEPES,bmse000202,1,60.8048,5.44
10237,HEPES,bmse000202,2,58.5772,7.51
10238,HEPES,bmse000202,3,54.5149,8.11
10239,HEPES,bmse000202,4,54.0844,12.5
10853,GDP,bmse000270,5,140.1096,6.84
10240,HEPES,bmse000202,5,52.383,11.07
10241,HEPES,bmse000202,6,50.0053,7.83
10242,D_citrulline,bmse000209,1,177.3935,5.6
10243,D_citrulline,bmse000209,2,164.2858,1.35
10244,D_citrulline,bmse000209,3,57.1942,10.87
10245,D_citrulline,bmse000209,4,41.9172,1.9
10246,D_citrulline,bmse000209,5,30.442,12.5
10247,D_citrulline,bmse000209,6,27.6603,6.22
10248,tryptamine,bmse000207,1,139.1467,1.96
10249,tryptamine,bmse000207,2,129.1548,2.05
10250,tryptamine,bmse000207,3,127.0515,9.42
10251,tryptamine,bmse000207,4,124.8771,12.23
10252,tryptamine,bmse000207,5,122.1292,11.7
10253,tryptamine,bmse000207,6,121.0332,11.62
10254,tryptamine,bmse000207,7,114.7782,11.66
10255,tryptamine,bmse000207,8,111.7871,2.5
10256,tryptamine,bmse000207,9,42.4461,10.28
10257,tryptamine,bmse000207,10,25.3872,12.5
10258,caffeine,bmse000206,1,158.3677,2.3
10259,caffeine,bmse000206,2,154.8444,2.1
10260,caffeine,bmse000206,3,150.6943,2.53
10261,caffeine,bmse000206,4,146.1726,12.5
10262,caffeine,bmse000206,5,109.992,1.93
10263,caffeine,bmse000206,6,36.1671,12
10264,caffeine,bmse000206,7,32.5176,11.72
10265,caffeine,bmse000206,8,30.6092,12.15
10266,DL_serine,bmse000222,1,175.1858,1.49
10267,DL_serine,bmse000222,2,62.8818,12.5
10268,DL_serine,bmse000222,3,59.0696,9.18
10269,kanamycin,bmse000201,1,103.0882,11.25
10270,kanamycin,bmse000201,2,99.3708,11.19
10271,kanamycin,bmse000201,3,87.4547,11.03
10272,kanamycin,bmse000201,4,82.3518,10.12
10273,kanamycin,bmse000201,5,76.1335,11.05
10274,kanamycin,bmse000201,6,75.2746,11.27
10275,kanamycin,bmse000201,7,74.8051,11.96
10276,kanamycin,bmse000201,8,73.8216,11.92
10277,kanamycin,bmse000201,9,73.7132,12.5
10278,kanamycin,bmse000201,10,71.3274,11.8
10279,kanamycin,bmse000201,11,71.2135,10.89
10280,kanamycin,bmse000201,12,68.4669,11.25
10281,kanamycin,bmse000201,13,62.5738,8.79
10282,kanamycin,bmse000201,14,57.6876,10.31
10283,kanamycin,bmse000201,15,52.8142,10.87
10284,kanamycin,bmse000201,16,50.8624,10.67
10285,kanamycin,bmse000201,17,43.1772,9.79
10286,kanamycin,bmse000201,18,32.4006,6.43
10287,D_galacturonic_acid,bmse000216,1,178.7328,1.92
10288,D_galacturonic_acid,bmse000216,2,177.8683,2.95
10289,D_galacturonic_acid,bmse000216,3,103.6266,1.14
10290,D_galacturonic_acid,bmse000216,4,98.6973,11.64
10291,D_galacturonic_acid,bmse000216,5,94.8821,8.1
10292,D_galacturonic_acid,bmse000216,6,86.1096,1.16
10293,D_galacturonic_acid,bmse000216,7,83.8927,1.25
10294,D_galacturonic_acid,bmse000216,8,78.2191,12.5
10295,D_galacturonic_acid,bmse000216,9,75.5921,12.15
10296,D_galacturonic_acid,bmse000216,10,74.2733,11.54
10297,D_galacturonic_acid,bmse000216,11,74.0687,8.3
10298,D_galacturonic_acid,bmse000216,12,73.5175,7.92
10299,D_galacturonic_acid,bmse000216,13,73.4128,1.2
10300,D_galacturonic_acid,bmse000216,14,73.0403,11.9
10301,D_galacturonic_acid,bmse000216,15,72.0425,8.11
10302,D_galacturonic_acid,bmse000216,16,70.7295,8.19
10303,melibiose,bmse000215,1,100.9074,4.94
10304,melibiose,bmse000215,2,100.8624,8.18
10305,melibiose,bmse000215,3,98.7735,7.77
10306,melibiose,bmse000215,4,94.8936,4.8
10307,melibiose,bmse000215,5,78.5818,7.92
10308,melibiose,bmse000215,6,77.0481,7.86
10309,melibiose,bmse000215,7,76.7432,7.91
10310,melibiose,bmse000215,8,75.641,4.51
10311,melibiose,bmse000215,9,74.115,4.66
10312,melibiose,bmse000215,10,73.6521,8.63
10313,melibiose,bmse000215,11,72.7897,4.38
10314,melibiose,bmse000215,12,72.2675,4.58
10315,melibiose,bmse000215,13,72.1681,11.13
10316,melibiose,bmse000215,14,72.1168,8.41
10317,melibiose,bmse000215,15,71.8969,12.5
10318,melibiose,bmse000215,16,71.1809,5.01
10319,melibiose,bmse000215,17,71.1499,8
10320,melibiose,bmse000215,18,68.5997,3.4
10321,melibiose,bmse000215,19,68.5048,5.74
10322,melibiose,bmse000215,20,63.7993,7.48
10323,raffinose,bmse000221,1,106.4984,12
10324,raffinose,bmse000221,2,101.1619,11.75
10325,raffinose,bmse000221,3,94.8107,10.5
10326,raffinose,bmse000221,4,84.0386,10.37
10327,raffinose,bmse000221,5,78.9908,10.66
10328,raffinose,bmse000221,6,76.6708,10.74
10329,raffinose,bmse000221,7,75.3481,10.62
10330,raffinose,bmse000221,8,74.0893,10.03
10331,raffinose,bmse000221,9,73.7298,10.76
10332,raffinose,bmse000221,10,73.6491,10.76
10333,raffinose,bmse000221,11,72.1375,11.45
10334,raffinose,bmse000221,12,72.0811,10.61
10335,raffinose,bmse000221,13,71.8977,12.5
10336,raffinose,bmse000221,14,71.1782,10.63
10337,raffinose,bmse000221,15,68.5609,7.4
10338,raffinose,bmse000221,16,65.174,9.27
10339,raffinose,bmse000221,17,64.0591,8.59
10340,raffinose,bmse000221,18,63.8064,10.78
10341,phenylacetic_acid,bmse000220,1,140.0132,1.48
10342,phenylacetic_acid,bmse000220,2,131.8678,12.4
10343,phenylacetic_acid,bmse000220,3,131.3739,12.5
10344,phenylacetic_acid,bmse000220,4,129.1624,7.27
10345,phenylacetic_acid,bmse000220,5,47.1763,7.68
10346,quinolinic_acid,bmse000219,1,151.0633,4.64
10347,quinolinic_acid,bmse000219,2,139.9295,12.5
10348,quinolinic_acid,bmse000219,3,134.2225,1.66
10349,quinolinic_acid,bmse000219,4,126.3609,1.43
10350,L_arabinose,bmse000213,1,99.4707,11.84
10351,L_arabinose,bmse000213,2,95.2773,6.36
10352,L_arabinose,bmse000213,3,85.6557,1.01
10353,L_arabinose,bmse000213,4,75.1558,12.46
10354,L_arabinose,bmse000213,5,74.5445,11.65
10355,L_arabinose,bmse000213,6,71.3975,5.23
10356,L_arabinose,bmse000213,7,71.291,6.33
10357,L_arabinose,bmse000213,8,71.19,12.5
10358,L_arabinose,bmse000213,9,71.1316,6.46
10359,L_arabinose,bmse000213,10,69.092,10.76
10360,L_arabinose,bmse000213,11,65.1629,5.63
10361,L_arabinose,bmse000213,12,63.7809,1.01
10362,maleic_acid,bmse000212,1,178.0156,12.5
10363,maleic_acid,bmse000212,2,138.0455,2.52
10364,trimethylamine,bmse000224,1,47.3627,12.5
10365,FAD,bmse000226,1,164.0687,6.03
10366,FAD,bmse000226,2,160.4644,6.44
10367,FAD,bmse000226,3,157.4008,5.27
10368,FAD,bmse000226,4,155.0401,6.79
10369,FAD,bmse000226,5,153.2024,6.31
10370,FAD,bmse000226,6,152.7018,4.88
10371,FAD,bmse000226,7,150.7506,8.42
10372,FAD,bmse000226,8,141.8033,9.25
10373,FAD,bmse000226,9,137.3022,7.38
10374,FAD,bmse000226,10,136.7199,6.9
10375,FAD,bmse000226,11,134.1126,5.24
10376,FAD,bmse000226,12,133.1145,6.31
10377,FAD,bmse000226,13,120.4006,4.97
10378,FAD,bmse000226,14,119.1392,5.98
10379,FAD,bmse000226,15,89.8286,8.42
10380,FAD,bmse000226,16,86.1706,4.9
10381,FAD,bmse000226,17,77.5902,9.53
10382,FAD,bmse000226,18,75.1902,7.63
10383,FAD,bmse000226,19,73.8874,4.74
10384,FAD,bmse000226,20,72.6742,9.77
10385,FAD,bmse000226,21,72.0204,7.14
10386,FAD,bmse000226,22,49.8304,4.6
10387,FAD,bmse000226,23,23.4503,12.23
10388,FAD,bmse000226,24,21.3064,12.5
10389,biotin,bmse000227,1,186.5202,3.08
10390,biotin,bmse000227,2,168.1155,1.31
10391,biotin,bmse000227,3,64.7083,11.47
10392,biotin,bmse000227,4,62.9655,10.94
10393,biotin,bmse000227,5,58.0656,12.5
10394,biotin,bmse000227,6,42.4481,10.02
10395,biotin,bmse000227,7,40.0331,11.31
10396,biotin,bmse000227,8,30.9897,10.73
10397,biotin,bmse000227,9,30.4007,10.87
10398,biotin,bmse000227,10,28.3888,11.03
10399,L_malic_acid,bmse000238,1,183.7653,2.22
10400,L_malic_acid,bmse000238,2,182.5621,2.11
10401,L_malic_acid,bmse000238,3,73.0565,11
10402,L_malic_acid,bmse000238,4,45.325,12.5
10403,DL_pipecolic_acid,bmse000237,1,177.3687,2.02
10404,DL_pipecolic_acid,bmse000237,2,61.7014,10.46
10405,DL_pipecolic_acid,bmse000237,3,46.3684,11.14
10406,DL_pipecolic_acid,bmse000237,4,29.2254,12.03
10407,DL_pipecolic_acid,bmse000237,5,24.5183,12.5
10408,DL_pipecolic_acid,bmse000237,6,24.2597,11.72
10409,alpha_naphthoic_acid,bmse000178,1,180.9525,1.22
10410,alpha_naphthoic_acid,bmse000178,2,140.3164,2.38
10411,alpha_naphthoic_acid,bmse000178,3,136.0023,3.43
10412,alpha_naphthoic_acid,bmse000178,4,131.8378,2.83
10413,alpha_naphthoic_acid,bmse000178,5,131.5775,11.93
10414,alpha_naphthoic_acid,bmse000178,6,130.9661,12.32
10415,alpha_naphthoic_acid,bmse000178,7,129.4469,11.78
10416,alpha_naphthoic_acid,bmse000178,8,128.9278,12.24
10417,alpha_naphthoic_acid,bmse000178,9,128.3008,11.2
10418,alpha_naphthoic_acid,bmse000178,10,128.1263,11.47
10419,alpha_naphthoic_acid,bmse000178,11,126.9179,12.5
10420,L_lactic_acid,bmse000208,1,185.2568,1.47
10421,L_lactic_acid,bmse000208,2,71.1986,10.31
10422,L_lactic_acid,bmse000208,3,22.7605,12.5
10423,thymidine,bmse000244,1,169.2606,1.96
10424,thymidine,bmse000244,2,154.4362,2.17
10425,thymidine,bmse000244,3,140.2111,10.41
10426,thymidine,bmse000244,4,114.1556,4.85
10427,thymidine,bmse000244,5,89.1962,12.5
10428,thymidine,bmse000244,6,87.7135,11.37
10429,thymidine,bmse000244,7,73.1301,12.1
10430,thymidine,bmse000244,8,63.8632,10.49
10431,thymidine,bmse000244,9,41.1957,10.46
10432,thymidine,bmse000244,10,14.2614,10.1
10433,citraconic_acid,bmse000199,1,182.5855,1.19
10434,citraconic_acid,bmse000199,2,177.0006,1.62
10435,citraconic_acid,bmse000199,3,150.7235,3.14
10436,citraconic_acid,bmse000199,4,122.9987,12.5
10437,citraconic_acid,bmse000199,5,23.083,10.26
10438,homogentisic_acid,bmse000200,1,183.4495,2.25
10439,homogentisic_acid,bmse000200,2,151.5798,3.49
10440,homogentisic_acid,bmse000200,3,150.3577,2.71
10441,homogentisic_acid,bmse000200,4,128.3103,4.07
10442,homogentisic_acid,bmse000200,5,120.3611,12.12
10443,homogentisic_acid,bmse000200,6,119.7948,12.5
10444,homogentisic_acid,bmse000200,7,117.1989,12.11
10445,homogentisic_acid,bmse000200,8,42.6626,11.69
10446,isonicotinic_acid,bmse000133,1,152.265,11.27
10447,isonicotinic_acid,bmse000133,2,143.3482,1.49
10448,isonicotinic_acid,bmse000133,3,124.3227,12.5
10449,homovanillic_acid,bmse000132,1,184.0342,2.31
10450,homovanillic_acid,bmse000132,2,149.9125,2.75
10451,homovanillic_acid,bmse000132,3,145.8277,2.64
10452,homovanillic_acid,bmse000132,4,132.7556,4.92
10453,homovanillic_acid,bmse000132,5,124.6363,12.01
10454,homovanillic_acid,bmse000132,6,118.1634,12.5
10455,homovanillic_acid,bmse000132,7,116.1596,11.86
10456,homovanillic_acid,bmse000132,8,58.5972,11.89
10457,homovanillic_acid,bmse000132,9,46.5865,11.75
10458,cyanuric_acid,bmse000135,1,158.7585,12.5
10459,ethacrynic_acid,bmse000134,1,202.3118,4.43
10460,ethacrynic_acid,bmse000134,2,177.9826,5
10461,ethacrynic_acid,bmse000134,3,158.7271,7.04
10462,ethacrynic_acid,bmse000134,4,152.4416,9.11
10463,ethacrynic_acid,bmse000134,5,134.6377,7.45
10464,ethacrynic_acid,bmse000134,6,134.3055,7.14
10465,ethacrynic_acid,bmse000134,7,133.1034,4.2
10466,ethacrynic_acid,bmse000134,8,130.6445,11.98
10467,ethacrynic_acid,bmse000134,9,124.6188,3.16
10468,ethacrynic_acid,bmse000134,10,113.5528,12.1
10469,ethacrynic_acid,bmse000134,11,70.3721,12.5
10470,ethacrynic_acid,bmse000134,12,25.8093,12.14
10471,ethacrynic_acid,bmse000134,13,14.5372,10.57
10472,itaconic_acid,bmse000137,1,183.4319,1.66
10473,itaconic_acid,bmse000137,2,144.4598,3.08
10474,itaconic_acid,bmse000137,3,124.7498,11.94
10475,itaconic_acid,bmse000137,4,44.7199,12.5
10476,amygdalin,bmse000139,1,135.1591,3.04
10477,amygdalin,bmse000139,2,133.2211,4.82
10478,amygdalin,bmse000139,3,132.0805,12.5
10479,amygdalin,bmse000139,4,130.5071,12.26
10480,amygdalin,bmse000139,5,121.2539,2.79
10481,amygdalin,bmse000139,6,105.5549,5
10482,amygdalin,bmse000139,7,104.1485,4.67
10483,amygdalin,bmse000139,8,78.6035,5.33
10484,amygdalin,bmse000139,9,78.2945,5.19
10485,amygdalin,bmse000139,10,78.182,4.9
10486,amygdalin,bmse000139,11,78.0819,4.95
10487,amygdalin,bmse000139,12,75.9,5.09
10488,amygdalin,bmse000139,13,75.4567,4.78
10489,amygdalin,bmse000139,14,72.369,5.36
10490,amygdalin,bmse000139,15,71.8621,4.67
10491,amygdalin,bmse000139,16,71.7644,5.77
10492,amygdalin,bmse000139,17,70.9831,3.34
10493,amygdalin,bmse000139,18,63.4233,3.79
10494,D_cellobiose,bmse000138,1,105.2663,8.21
10495,D_cellobiose,bmse000138,2,105.2381,5.61
10496,D_cellobiose,bmse000138,3,98.4528,7.32
10497,D_cellobiose,bmse000138,4,94.5197,4.61
10498,D_cellobiose,bmse000138,5,81.4215,4.68
10499,D_cellobiose,bmse000138,6,81.2838,7.67
10500,D_cellobiose,bmse000138,7,78.6932,12.12
10501,D_cellobiose,bmse000138,8,78.1874,12.5
10502,D_cellobiose,bmse000138,9,77.5013,7.76
10503,D_cellobiose,bmse000138,10,76.9856,7.78
10504,D_cellobiose,bmse000138,11,76.5907,7.38
10505,D_cellobiose,bmse000138,12,75.8703,9.08
10506,D_cellobiose,bmse000138,13,74.0348,4.8
10507,D_cellobiose,bmse000138,14,73.925,5.13
10508,D_cellobiose,bmse000138,15,72.8163,4.72
10509,D_cellobiose,bmse000138,16,72.1615,6.12
10510,D_cellobiose,bmse000138,17,72.1439,8.59
10511,D_cellobiose,bmse000138,18,63.2643,6.56
10512,D_cellobiose,bmse000138,19,62.74,5.36
10513,D_cellobiose,bmse000138,20,62.606,3.56
10514,gamma_D_galactonolactone,bmse000141,1,178.7234,2.86
10515,gamma_D_galactonolactone,bmse000141,2,82.7298,12.5
10516,gamma_D_galactonolactone,bmse000141,3,76.4007,12.48
10517,gamma_D_galactonolactone,bmse000141,4,75.5187,12.19
10518,gamma_D_galactonolactone,bmse000141,5,74.2346,3.63
10519,gamma_D_galactonolactone,bmse000141,6,74.0161,3.26
10520,gamma_D_galactonolactone,bmse000141,7,72.7812,3.45
10521,gamma_D_galactonolactone,bmse000141,8,72.4324,3.36
10522,gamma_D_galactonolactone,bmse000141,9,71.5773,12.34
10523,gamma_D_galactonolactone,bmse000141,10,66.0277,3.07
10524,gamma_D_galactonolactone,bmse000141,11,64.6899,11.19
10525,D_glucuronate,bmse000140,1,179.6525,1.52
10526,D_glucuronate,bmse000140,2,178.6724,2.78
10527,D_glucuronate,bmse000140,3,98.5755,11.73
10528,D_glucuronate,bmse000140,4,94.8123,7.69
10529,D_glucuronate,bmse000140,5,78.959,12.5
10530,D_glucuronate,bmse000140,6,78.2467,11.99
10531,D_glucuronate,bmse000140,7,76.6906,11.59
10532,D_glucuronate,bmse000140,8,75.2591,7.37
10533,D_glucuronate,bmse000140,9,74.8051,6.93
10534,D_glucuronate,bmse000140,10,74.5748,8
10535,D_glucuronate,bmse000140,11,74.5431,12.46
10536,D_glucuronate,bmse000140,12,73.9985,7.55
10537,L_gulonolactone,bmse000235,1,180.7006,2.42
10538,L_gulonolactone,bmse000235,2,84.0626,11.74
10539,L_gulonolactone,bmse000235,3,76.1965,2.96
10540,L_gulonolactone,bmse000235,4,75.331,3.02
10541,L_gulonolactone,bmse000235,5,74.9955,3.01
10542,L_gulonolactone,bmse000235,6,73.5223,12.5
10543,L_gulonolactone,bmse000235,7,73.1631,3.21
10544,L_gulonolactone,bmse000235,8,72.7983,12.19
10545,L_gulonolactone,bmse000235,9,72.2798,12.42
10546,L_gulonolactone,bmse000235,10,65.2205,2.74
10547,L_gulonolactone,bmse000235,11,64.1843,11.09
10548,glycogen,bmse000232,1,102.5103,8.96
10549,glycogen,bmse000232,2,79.5505,5.53
10550,glycogen,bmse000232,3,75.5834,9.32
10551,glycogen,bmse000232,4,74.2061,12.5
10552,glycogen,bmse000232,5,72.0454,4.53
10553,glycogen,bmse000232,6,63.2055,9.29
10554,melibiose,bmse000233,1,100.9084,5.19
10555,melibiose,bmse000233,2,100.8632,7.98
10556,melibiose,bmse000233,3,98.7735,7.66
10557,melibiose,bmse000233,4,94.8931,4.76
10558,melibiose,bmse000233,5,78.5818,7.97
10559,melibiose,bmse000233,6,77.0484,7.73
10560,melibiose,bmse000233,7,76.7428,7.76
10561,melibiose,bmse000233,8,75.6402,4.58
10562,melibiose,bmse000233,9,74.1149,4.63
10563,melibiose,bmse000233,10,73.6528,8.49
10564,melibiose,bmse000233,11,72.7893,4.29
10565,melibiose,bmse000233,12,72.267,4.52
10566,melibiose,bmse000233,13,72.1674,11.07
10567,melibiose,bmse000233,14,72.1167,8.55
10568,melibiose,bmse000233,15,71.8963,12.5
10569,melibiose,bmse000233,16,71.1803,5.19
10570,melibiose,bmse000233,17,71.1491,7.83
10571,melibiose,bmse000233,18,68.5995,3.44
10572,melibiose,bmse000233,19,68.5046,5.7
10573,melibiose,bmse000233,20,63.7983,7.42
10574,D_glucono_1_5_lactone,bmse000230,1,181.2312,2.98
10575,D_glucono_1_5_lactone,bmse000230,2,76.6877,12.5
10576,D_glucono_1_5_lactone,bmse000230,3,75.204,12.42
10577,D_glucono_1_5_lactone,bmse000230,4,73.8622,12.42
10578,D_glucono_1_5_lactone,bmse000230,5,73.6372,12.42
10579,D_glucono_1_5_lactone,bmse000230,6,65.3046,10.99
10580,N_acetyl_D_glucosamine,bmse000231,1,177.4899,2.8
10581,N_acetyl_D_glucosamine,bmse000231,2,177.2462,4.07
10582,N_acetyl_D_glucosamine,bmse000231,3,97.6343,8.26
10583,N_acetyl_D_glucosamine,bmse000231,4,93.5456,12.5
10584,N_acetyl_D_glucosamine,bmse000231,5,78.6606,9.02
10585,N_acetyl_D_glucosamine,bmse000231,6,76.5921,8.56
10586,N_acetyl_D_glucosamine,bmse000231,7,74.2719,12.4
10587,N_acetyl_D_glucosamine,bmse000231,8,73.3628,12.21
10588,N_acetyl_D_glucosamine,bmse000231,9,72.7507,12.34
10589,N_acetyl_D_glucosamine,bmse000231,10,72.5242,8.84
10590,N_acetyl_D_glucosamine,bmse000231,11,63.4249,7.22
10591,N_acetyl_D_glucosamine,bmse000231,12,63.2564,10.49
10592,N_acetyl_D_glucosamine,bmse000231,13,59.3824,8.25
10593,N_acetyl_D_glucosamine,bmse000231,14,56.8002,11.86
10594,N_acetyl_D_glucosamine,bmse000231,15,24.8865,6.38
10595,N_acetyl_D_glucosamine,bmse000231,16,24.609,9.19
10596,polygalacturonic_acid,bmse000228,1,178.1914,12.5
10597,polygalacturonic_acid,bmse000228,2,101.6522,9.97
10598,polygalacturonic_acid,bmse000228,3,80.5569,9.65
10599,polygalacturonic_acid,bmse000228,4,73.9772,8.45
10600,polygalacturonic_acid,bmse000228,5,71.4996,8.28
10601,polygalacturonic_acid,bmse000228,6,70.7598,8.29
10602,polygalacturonic_acid,bmse000228,7,26.4074,3.65
10603,D_saccharate,bmse000239,1,181.3679,2.13
10604,D_saccharate,bmse000239,2,181.237,1.95
10605,D_saccharate,bmse000239,3,76.4264,11.96
10606,D_saccharate,bmse000239,4,76.4165,12.5
10607,D_saccharate,bmse000239,5,76.2846,9.51
10608,D_saccharate,bmse000239,6,74.3621,9.95
10609,stachyose,bmse000240,1,106.5168,12.21
10610,stachyose,bmse000240,2,101.06,8.92
10611,stachyose,bmse000240,3,100.7169,10.76
10612,stachyose,bmse000240,4,94.8219,8.89
10613,stachyose,bmse000240,5,84.0524,9.16
10614,stachyose,bmse000240,6,78.9976,9.04
10615,stachyose,bmse000240,7,76.6795,9.2
10616,stachyose,bmse000240,8,75.4111,9
10617,stachyose,bmse000240,9,73.9757,8.23
10618,stachyose,bmse000240,10,73.7006,10.47
10619,stachyose,bmse000240,11,73.6476,9.63
10620,stachyose,bmse000240,12,72.1972,12.5
10621,stachyose,bmse000240,13,72.173,10.25
10622,stachyose,bmse000240,14,72.0684,10.06
10623,stachyose,bmse000240,15,72.0362,10.92
10624,stachyose,bmse000240,16,71.9303,12.49
10625,stachyose,bmse000240,17,71.5019,8.73
10626,stachyose,bmse000240,18,71.1393,9.07
10627,stachyose,bmse000240,19,70.9835,10.63
10628,stachyose,bmse000240,20,69.1734,6.48
10629,stachyose,bmse000240,21,68.5201,5.87
10630,stachyose,bmse000240,22,65.1886,8.65
10631,stachyose,bmse000240,23,64.0756,7.23
10632,stachyose,bmse000240,24,63.8499,10.36
10633,L_tartaric_acid,bmse000167,1,181.2992,12.5
10634,D_xylonate_cadmium,bmse000166,1,181.2863,3.14
10635,D_xylonate_cadmium,bmse000166,2,75.334,10.18
10636,D_xylonate_cadmium,bmse000166,3,75.0844,12.5
10637,D_xylonate_cadmium,bmse000166,4,65.059,9.59
10638,N_acetyl_D_glucosamine_1_phosphate,bmse000163,1,177.4252,6.68
10639,N_acetyl_D_glucosamine_1_phosphate,bmse000163,2,95.4941,6.42
10640,N_acetyl_D_glucosamine_1_phosphate,bmse000163,3,95.4396,6.74
10641,N_acetyl_D_glucosamine_1_phosphate,bmse000163,4,74.801,12.35
10642,N_acetyl_D_glucosamine_1_phosphate,bmse000163,5,74.139,11.43
10643,N_acetyl_D_glucosamine_1_phosphate,bmse000163,6,72.7232,12.5
10644,N_acetyl_D_glucosamine_1_phosphate,bmse000163,7,63.4049,10.26
10645,N_acetyl_D_glucosamine_1_phosphate,bmse000163,8,60.1376,1.31
10646,N_acetyl_D_glucosamine_1_phosphate,bmse000163,9,56.8998,5.8
10854,GDP,bmse000270,6,118.7579,3.69
10647,N_acetyl_D_glucosamine_1_phosphate,bmse000163,10,56.8264,6.12
10648,N_acetyl_D_glucosamine_1_phosphate,bmse000163,11,24.8578,11.78
10649,N_acetyl_D_glucosamine_1_phosphate,bmse000163,12,19.5062,1.22
10650,L_ornithine,bmse000162,1,177.052,2.52
10651,L_ornithine,bmse000162,2,56.8032,12.42
10652,L_ornithine,bmse000162,3,41.5581,10.67
10653,L_ornithine,bmse000162,4,30.183,12.5
10654,L_ornithine,bmse000162,5,25.4674,10.78
10655,D_alanine,bmse000236,1,178.5839,1.59
10656,D_alanine,bmse000236,2,53.2011,9.79
10657,D_alanine,bmse000236,3,18.8519,12.5
10658,4_nitrophenol,bmse000223,1,130.0111,12.5
10659,4_nitrophenol,bmse000223,2,129.9947,12.29
10660,4_nitrophenol,bmse000223,3,120.3011,8.51
10661,4_nitrophenol,bmse000223,4,120.2591,10.79
10662,D_L_glyceraldehyde,bmse000225,1,92.4597,11.03
10663,D_L_glyceraldehyde,bmse000225,2,76.7639,11.48
10664,D_L_glyceraldehyde,bmse000225,3,64.6759,12.5
10665,4_hydroxycinnamic_acid,bmse000150,1,178.908,1.38
10666,4_hydroxycinnamic_acid,bmse000150,2,159.818,1.85
10667,4_hydroxycinnamic_acid,bmse000150,3,143.5246,4.55
10668,4_hydroxycinnamic_acid,bmse000150,4,132.2994,11.74
10669,4_hydroxycinnamic_acid,bmse000150,5,130.1932,2.25
10670,4_hydroxycinnamic_acid,bmse000150,6,124.1229,4.91
10671,4_hydroxycinnamic_acid,bmse000150,7,118.5321,12.5
10672,alpha_D_galactose_1_phosphate,bmse000151,1,96.62,5.96
10673,alpha_D_galactose_1_phosphate,bmse000151,2,96.566,5.93
10674,alpha_D_galactose_1_phosphate,bmse000151,3,73.8281,11.4
10675,alpha_D_galactose_1_phosphate,bmse000151,4,72.304,10.42
10676,alpha_D_galactose_1_phosphate,bmse000151,5,72.1558,12.5
10677,alpha_D_galactose_1_phosphate,bmse000151,6,71.7402,5.87
10678,alpha_D_galactose_1_phosphate,bmse000151,7,71.6737,5.84
10679,alpha_D_galactose_1_phosphate,bmse000151,8,64.0705,10.09
10680,dAMP,bmse000250,1,155.0627,3.71
10681,dAMP,bmse000250,2,142.9366,3.42
10682,dAMP,bmse000250,3,90.1821,11.54
10683,dAMP,bmse000250,4,87.3797,7.1
10684,dAMP,bmse000250,5,74.0139,10.26
10685,dAMP,bmse000250,6,64.4148,12.5
10686,dAMP,bmse000250,7,41.7694,7.82
10687,Oxalosuccinate,bmse000251,1,184.1371,2.15
10688,Oxalosuccinate,bmse000251,2,172.7664,1.95
10689,Oxalosuccinate,bmse000251,3,52.8383,1.48
10690,Oxalosuccinate,bmse000251,4,38.5758,5.93
10691,Oxalosuccinate,bmse000251,5,38.454,1.48
10692,Oxalosuccinate,bmse000251,6,38.2644,1.54
10693,Oxalosuccinate,bmse000251,7,38.0683,1.39
10694,Oxalosuccinate,bmse000251,8,36.9355,3.83
10695,Oxalosuccinate,bmse000251,9,35.3007,1.19
10696,Oxalosuccinate,bmse000251,10,34.9692,1.16
10697,Oxalosuccinate,bmse000251,11,33.3147,5.48
10698,Oxalosuccinate,bmse000251,12,33.2611,6.95
10699,Oxalosuccinate,bmse000251,13,33.2048,12.5
10700,Oxalosuccinate,bmse000251,14,25.9719,1.99
10701,Salicylate,bmse000252,1,178.336,1.8
10702,Salicylate,bmse000252,2,162.3095,1.9
10703,Salicylate,bmse000252,3,136.7054,12.5
10704,Salicylate,bmse000252,4,133.2002,11.8
10705,Salicylate,bmse000252,5,122.0978,11.69
10706,Salicylate,bmse000252,6,120.713,2.32
10707,Salicylate,bmse000252,7,119.007,12.31
10708,dADP,bmse000253,1,158.1421,4.9
10709,dADP,bmse000253,2,155.3005,9.18
10710,dADP,bmse000253,3,151.2181,2.23
10711,dADP,bmse000253,4,142.6258,3.6
10712,dADP,bmse000253,5,121.1832,1.88
10713,dADP,bmse000253,6,88.4189,5.03
10714,dADP,bmse000253,7,88.3329,5.02
10715,dADP,bmse000253,8,86.1412,10.03
10716,dADP,bmse000253,9,73.3197,12.5
10717,dADP,bmse000253,10,67.3652,4.1
10718,dADP,bmse000253,11,67.3129,3.98
10719,dADP,bmse000253,12,41.5514,9.81
10720,D_Fructose_1_phosphate,bmse000254,1,100.8301,3.74
10721,D_Fructose_1_phosphate,bmse000254,2,100.7578,3.97
10722,D_Fructose_1_phosphate,bmse000254,3,83.1443,1.21
10723,D_Fructose_1_phosphate,bmse000254,4,78.79,1.8
10724,D_Fructose_1_phosphate,bmse000254,5,76.8304,1.21
10725,D_Fructose_1_phosphate,bmse000254,6,72.0493,12.5
10726,D_Fructose_1_phosphate,bmse000254,7,71.8351,11.69
10727,D_Fructose_1_phosphate,bmse000254,8,70.5098,12.35
10728,D_Fructose_1_phosphate,bmse000254,9,68.9967,5.19
10729,D_Fructose_1_phosphate,bmse000254,10,68.9492,5.25
10730,D_Fructose_1_phosphate,bmse000254,11,66.0887,9.73
10731,D_Fructose_1_phosphate,bmse000254,12,64.969,2.12
10732,D_Fructose_1_phosphate,bmse000254,13,64.1264,1.29
10733,ITP,bmse000255,1,161.4399,4.25
10734,ITP,bmse000255,2,151.5943,2.62
10735,ITP,bmse000255,3,149.0201,9.65
10736,ITP,bmse000255,4,142.5226,5.74
10737,ITP,bmse000255,5,126.3562,2.24
10738,ITP,bmse000255,6,90.276,1.56
10739,ITP,bmse000255,7,89.9312,10.81
10740,ITP,bmse000255,8,86.8306,5.65
10741,ITP,bmse000255,9,86.7415,5.81
10742,ITP,bmse000255,10,77.2254,2.18
10743,ITP,bmse000255,11,77.1273,12.5
10744,ITP,bmse000255,12,72.8596,11.68
10745,ITP,bmse000255,13,72.5243,2.14
10746,ITP,bmse000255,14,67.7479,4.35
10747,ITP,bmse000255,15,67.695,4.23
10748,Formaldehyde,bmse000256,1,84.4358,12.5
10749,FMN,bmse000257,1,163.2526,6.78
10750,FMN,bmse000257,2,160.3175,7.33
10751,FMN,bmse000257,3,153.429,6.6
10752,FMN,bmse000257,4,152.3129,4.11
10753,FMN,bmse000257,5,142.1584,7.18
10754,FMN,bmse000257,6,136.6282,6.86
10755,FMN,bmse000257,7,136.1877,6.82
10756,FMN,bmse000257,8,134.1083,4
10757,FMN,bmse000257,9,132.8224,4.98
10758,FMN,bmse000257,10,119.7064,4.78
10759,FMN,bmse000257,11,75.2209,6.14
10760,FMN,bmse000257,12,74.4868,3.9
10761,FMN,bmse000257,13,74.4237,3.92
10762,FMN,bmse000257,14,72.0087,6.36
10763,FMN,bmse000257,15,67.8012,3.52
10764,FMN,bmse000257,16,50.1474,2.93
10765,FMN,bmse000257,17,23.466,11.62
10766,FMN,bmse000257,18,21.3437,12.5
10767,Glycolaldehyde,bmse000258,1,92.374,9.81
10768,Glycolaldehyde,bmse000258,2,67.1623,12.5
10769,4_Hydroxybenzaldehyde,bmse000259,1,197.0798,3.76
10770,4_Hydroxybenzaldehyde,bmse000259,2,136.1538,9.71
10771,4_Hydroxybenzaldehyde,bmse000259,3,129.545,1.03
10772,4_Hydroxybenzaldehyde,bmse000259,4,119.8609,12.5
10773,Nicotinamide_D_ribonucleotide,bmse000260,1,175.8236,3.35
10774,Nicotinamide_D_ribonucleotide,bmse000260,2,141.0654,10.52
10775,Nicotinamide_D_ribonucleotide,bmse000260,3,127.6138,9.12
10776,Nicotinamide_D_ribonucleotide,bmse000260,4,108.182,10.66
10777,Nicotinamide_D_ribonucleotide,bmse000260,5,103.4044,6.52
10778,Nicotinamide_D_ribonucleotide,bmse000260,6,103.1839,1.61
10779,Nicotinamide_D_ribonucleotide,bmse000260,7,97.6396,11.48
10780,Nicotinamide_D_ribonucleotide,bmse000260,8,85.9422,6.34
10781,Nicotinamide_D_ribonucleotide,bmse000260,9,85.8555,6.04
10782,Nicotinamide_D_ribonucleotide,bmse000260,10,80.4925,1.81
10783,Nicotinamide_D_ribonucleotide,bmse000260,11,74.2063,1.79
10784,Nicotinamide_D_ribonucleotide,bmse000260,12,73.4952,12.5
10785,Nicotinamide_D_ribonucleotide,bmse000260,13,73.3372,12.21
10786,Nicotinamide_D_ribonucleotide,bmse000260,14,66.7617,5.06
10787,Nicotinamide_D_ribonucleotide,bmse000260,15,66.7167,4.78
10788,Nicotinamide_D_ribonucleotide,bmse000260,16,24.6964,9.6
10789,Acetyl_phosphate,bmse000261,1,175.0096,3.44
10790,Acetyl_phosphate,bmse000261,2,25.9801,10.24
10791,Acetyl_phosphate,bmse000261,3,24.7883,12.5
10792,Acetyl_phosphate,bmse000261,4,24.7425,11.1
10793,3_4_Hydroxyphenyl_pyruvate,bmse000262,1,157.3242,1.3
10794,3_4_Hydroxyphenyl_pyruvate,bmse000262,2,133.865,7.91
10795,3_4_Hydroxyphenyl_pyruvate,bmse000262,3,118.3826,12.5
10796,3_4_Hydroxyphenyl_pyruvate,bmse000262,4,117.7478,1.45
10797,NADP,bmse000263,1,167.8496,4.47
10798,NADP,bmse000263,2,158.1147,5.39
10799,NADP,bmse000263,3,155.428,9.01
10800,NADP,bmse000263,4,151.6757,5.76
10801,NADP,bmse000263,5,148.3745,7.75
10802,NADP,bmse000263,6,145.0167,6.29
10803,NADP,bmse000263,7,142.8886,8.29
10804,NADP,bmse000263,8,142.5477,5.92
10805,NADP,bmse000263,9,136.304,8.28
10806,NADP,bmse000263,10,131.3453,8.51
10807,NADP,bmse000263,11,121.1612,3.82
10808,NADP,bmse000263,12,102.729,11.11
10809,NADP,bmse000263,13,89.8221,5.86
10810,NADP,bmse000263,14,89.7336,5.64
10811,NADP,bmse000263,15,89.2538,5.26
10812,NADP,bmse000263,16,89.1719,5.28
10813,NADP,bmse000263,17,85.7472,5.48
10814,NADP,bmse000263,18,85.6577,5.52
10815,NADP,bmse000263,19,80.3221,12.5
10816,NADP,bmse000263,20,78.7636,5.55
10817,NADP,bmse000263,21,78.722,5.71
10818,NADP,bmse000263,22,73.3731,12.23
10819,NADP,bmse000263,23,72.7335,7.06
10820,NADP,bmse000263,24,68.2193,4.11
10821,NADP,bmse000263,25,67.6754,4.43
10822,NADP,bmse000263,26,57.0544,1.98
10823,4_Nitrophenyl_phosphate,bmse000264,1,163.0405,1.08
10824,4_Nitrophenyl_phosphate,bmse000264,2,144.5179,1.04
10825,4_Nitrophenyl_phosphate,bmse000264,3,128.4131,12.5
10826,4_Nitrophenyl_phosphate,bmse000264,4,122.6671,7.06
10827,4_Nitrophenyl_phosphate,bmse000264,5,122.6148,7.04
10828,4_Nitrocatechol,bmse000265,1,164.1278,1.69
10829,4_Nitrocatechol,bmse000265,2,148.5107,2.32
10830,4_Nitrocatechol,bmse000265,3,138.4594,1.3
10831,4_Nitrocatechol,bmse000265,4,122.9045,11.12
10832,4_Nitrocatechol,bmse000265,5,118.6529,12.08
10833,4_Nitrocatechol,bmse000265,6,112.45,12.5
10834,UDP,bmse000266,1,169.0888,5
10835,UDP,bmse000266,2,154.545,3.74
10836,UDP,bmse000266,3,144.5243,8.52
10837,UDP,bmse000266,4,105.234,10.35
10838,UDP,bmse000266,5,91.4445,11.2
10839,UDP,bmse000266,6,85.9024,5.62
10840,UDP,bmse000266,7,85.8136,5.66
10841,UDP,bmse000266,8,76.5959,12.5
10842,UDP,bmse000266,9,71.8259,11.92
10843,UDP,bmse000266,10,66.8315,4.4
10844,UDP,bmse000266,11,66.7792,4.54
10845,Formamide,bmse000267,1,169.4492,12.5
10846,R_Lactate,bmse000269,1,185.265,2.92
10847,R_Lactate,bmse000269,2,71.1978,10.49
10848,R_Lactate,bmse000269,3,22.7641,12.5
10849,GDP,bmse000270,1,161.6068,4.89
10850,GDP,bmse000270,2,156.6326,5.27
10851,GDP,bmse000270,3,154.1538,4.67
10855,GDP,bmse000270,7,89.8065,11.14
10856,GDP,bmse000270,8,86.2198,5.66
10857,GDP,bmse000270,9,86.132,5.77
10858,GDP,bmse000270,10,76.7534,12.5
10859,GDP,bmse000270,11,72.5131,12.28
10860,GDP,bmse000270,12,67.1729,4.45
10861,GDP,bmse000270,13,67.1215,4.26
10862,CoA,bmse000271,1,177.6817,2.7
10863,CoA,bmse000271,2,177.4294,8.2
10864,CoA,bmse000271,3,176.8233,2.08
10865,CoA,bmse000271,4,176.7106,6.6
10866,CoA,bmse000271,5,158.389,5.21
10867,CoA,bmse000271,6,155.6654,8.04
10868,CoA,bmse000271,7,155.5753,5.97
10869,CoA,bmse000271,8,152.1398,5.55
10870,CoA,bmse000271,9,152.0219,2.76
10871,CoA,bmse000271,10,142.9347,4.88
10872,CoA,bmse000271,11,142.6212,6.68
10873,CoA,bmse000271,12,121.3186,3.76
10874,CoA,bmse000271,13,89.3885,6.08
10875,CoA,bmse000271,14,89.1901,9.09
10876,CoA,bmse000271,15,87.3585,1.54
10877,CoA,bmse000271,16,87.3087,1.85
10878,CoA,bmse000271,17,87.2237,1.74
10879,CoA,bmse000271,18,86.8498,2.3
10880,CoA,bmse000271,19,86.7595,2.57
10881,CoA,bmse000271,20,85.3884,1.1
10882,CoA,bmse000271,21,79.6453,1.28
10883,CoA,bmse000271,22,79.1396,1.19
10884,CoA,bmse000271,23,78.2226,1.22
10885,CoA,bmse000271,24,77.5422,4.25
10886,CoA,bmse000271,25,77.2177,3.82
10887,CoA,bmse000271,26,77.1851,3.69
10888,CoA,bmse000271,27,76.9949,5.4
10889,CoA,bmse000271,28,76.9604,4.74
10890,CoA,bmse000271,29,76.7805,9.52
10891,CoA,bmse000271,30,76.4673,4.19
10892,CoA,bmse000271,31,76.4236,8.22
10893,CoA,bmse000271,32,76.3796,5.46
10894,CoA,bmse000271,33,74.5542,4.24
10895,CoA,bmse000271,34,74.4922,3.65
10896,CoA,bmse000271,35,73.328,2.2
10897,CoA,bmse000271,36,73.2765,1.86
10898,CoA,bmse000271,37,68.4744,3.83
10899,CoA,bmse000271,38,68.4222,3.88
10900,CoA,bmse000271,39,66.6691,2.47
10901,CoA,bmse000271,40,66.6238,2.86
10902,CoA,bmse000271,41,45.0428,4.93
10903,CoA,bmse000271,42,44.9976,11.76
10904,CoA,bmse000271,43,44.9048,1.18
10905,CoA,bmse000271,44,41.1259,2.81
10906,CoA,bmse000271,45,41.0359,6.14
10907,CoA,bmse000271,46,40.9558,6.01
10908,CoA,bmse000271,47,40.7593,1.76
10909,CoA,bmse000271,48,39.1263,1.74
10910,CoA,bmse000271,49,38.2973,1.72
10911,CoA,bmse000271,50,38.1621,9.87
10912,CoA,bmse000271,51,38.0817,9.25
10913,CoA,bmse000271,52,25.7997,12.5
10914,CoA,bmse000271,53,24.0869,1.45
10915,CoA,bmse000271,54,23.9984,3.96
10916,CoA,bmse000271,55,23.5128,8.93
10917,CoA,bmse000271,56,22.6789,1.36
10918,CoA,bmse000271,57,20.9419,3.81
10919,CoA,bmse000271,58,20.7819,9.63
10920,CoA,bmse000271,59,20.1012,1.78
10921,CDP,bmse000272,1,168.8761,4.9
10922,CDP,bmse000272,2,160.4002,4.39
10923,CDP,bmse000272,3,144.5698,1.09
10924,CDP,bmse000272,4,144.266,8.55
10925,CDP,bmse000272,5,99.3648,1.46
10926,CDP,bmse000272,6,99.2242,9.38
10927,CDP,bmse000272,7,92.2295,11.24
10928,CDP,bmse000272,8,91.8456,1.72
10929,CDP,bmse000272,9,85.3396,5.74
10930,CDP,bmse000272,10,85.2502,5.69
10931,CDP,bmse000272,11,77.0076,12.5
10932,CDP,bmse000272,12,72.3706,1.47
10933,CDP,bmse000272,13,71.4858,12.07
10934,CDP,bmse000272,14,66.6366,4.51
10935,CDP,bmse000272,15,66.5841,4.41
10936,D_Aspartate,bmse000273,1,180.3052,2.2
10937,D_Aspartate,bmse000273,2,177.0122,1.98
10938,D_Aspartate,bmse000273,3,54.9072,9.91
10939,D_Aspartate,bmse000273,4,39.2644,12.5
10940,Thiamin,bmse000274,1,171.726,5.58
10941,Thiamin,bmse000274,2,164.5163,3.11
10942,Thiamin,bmse000274,3,159.8969,10.99
10943,Thiamin,bmse000274,4,145.552,3.59
10944,Thiamin,bmse000274,5,138.7379,4.97
10945,Thiamin,bmse000274,6,107.1899,6.29
10946,Thiamin,bmse000274,7,63.1255,12.5
10947,Thiamin,bmse000274,8,53.7574,10.69
10948,Thiamin,bmse000274,9,31.9248,12.41
10949,Thiamin,bmse000274,10,26.7632,11.25
10950,Thiamin,bmse000274,11,13.8517,12.02
10951,D_Fructose_2_6_bisphosphate,bmse000275,1,106.8714,4.79
10952,D_Fructose_2_6_bisphosphate,bmse000275,2,106.8017,4.74
10953,D_Fructose_2_6_bisphosphate,bmse000275,3,82.9825,6.41
10954,D_Fructose_2_6_bisphosphate,bmse000275,4,82.912,6.28
10955,D_Fructose_2_6_bisphosphate,bmse000275,5,80.0513,6.58
10956,D_Fructose_2_6_bisphosphate,bmse000275,6,80.0052,6.39
10957,D_Fructose_2_6_bisphosphate,bmse000275,7,78.0543,12.5
10958,D_Fructose_2_6_bisphosphate,bmse000275,8,68.3553,5.53
10959,D_Fructose_2_6_bisphosphate,bmse000275,9,68.3079,5.71
10960,D_Fructose_2_6_bisphosphate,bmse000275,10,65.2002,7.1
10961,D_Fructose_2_6_bisphosphate,bmse000275,11,60.1397,1.11
10962,D_Fructose_2_6_bisphosphate,bmse000275,12,19.51,1.19
10963,Ethanolamine,bmse000276,1,60.3171,12.5
10964,Ethanolamine,bmse000276,2,43.9507,8.05
10965,CTP,bmse000277,1,168.8983,5.15
10966,CTP,bmse000277,2,160.5208,4.42
10967,CTP,bmse000277,3,144.2311,8.6
10968,CTP,bmse000277,4,99.3524,9.52
10969,CTP,bmse000277,5,91.8085,11.04
10970,CTP,bmse000277,6,85.501,5.68
10971,CTP,bmse000277,7,85.4107,5.57
10972,CTP,bmse000277,8,77.0203,1.35
10973,CTP,bmse000277,9,76.8989,12.5
10974,CTP,bmse000277,10,71.7933,11.89
10975,CTP,bmse000277,11,71.4631,1.06
10976,CTP,bmse000277,12,67.272,4.2
10977,CTP,bmse000277,13,67.2177,4.39
10978,D_Ribulose_5_phosphate,bmse000278,1,103.8241,7.82
10979,D_Ribulose_5_phosphate,bmse000278,2,98.9771,2.24
10980,D_Ribulose_5_phosphate,bmse000278,3,85.3023,1.6
10981,D_Ribulose_5_phosphate,bmse000278,4,84.6704,3.81
10982,D_Ribulose_5_phosphate,bmse000278,5,84.5875,4.13
10983,D_Ribulose_5_phosphate,bmse000278,6,78.03,9.99
10984,D_Ribulose_5_phosphate,bmse000278,7,73.4112,12.5
10985,D_Ribulose_5_phosphate,bmse000278,8,72.931,3.83
10986,D_Ribulose_5_phosphate,bmse000278,9,67.3547,5.39
10987,D_Ribulose_5_phosphate,bmse000278,10,67.3093,5.5
10988,D_Ribulose_5_phosphate,bmse000278,11,66.4813,2.3
10989,Urocanate,bmse000279,1,178.6198,2.5
10990,Urocanate,bmse000279,2,140.3626,11.29
10991,Urocanate,bmse000279,3,137.0776,2.14
10992,Urocanate,bmse000279,4,133.668,10.36
10993,Urocanate,bmse000279,5,124.4849,12.5
10994,Urocanate,bmse000279,6,123.9802,8.38
10995,UMP,bmse000280,1,169.0839,4.57
10996,UMP,bmse000280,2,154.6578,3.41
10997,UMP,bmse000280,3,144.8275,8.54
10998,UMP,bmse000280,4,105.3924,10.43
10999,UMP,bmse000280,5,91.006,11.31
11000,UMP,bmse000280,6,86.9204,5.97
11001,UMP,bmse000280,7,86.8326,6.05
11002,UMP,bmse000280,8,76.6643,12.5
11003,UMP,bmse000280,9,72.7729,12.16
11004,UMP,bmse000280,10,65.9126,4.79
11005,UMP,bmse000280,11,65.8681,4.9
11006,Nicotinamide,bmse000281,1,154.5266,12.5
11007,Nicotinamide,bmse000281,2,150.344,11.49
11008,Nicotinamide,bmse000281,3,139.1539,11.48
11009,Nicotinamide,bmse000281,4,131.9398,1.76
11010,Nicotinamide,bmse000281,5,126.9235,10.76
11011,DL_Alanine,bmse000282,1,178.5738,1.77
11012,DL_Alanine,bmse000282,2,53.2017,9.6
11013,DL_Alanine,bmse000282,3,18.85,12.5
11014,Orotate,bmse000283,1,104.064,12.5
11015,Benzonitrile,bmse000284,1,136.2019,8.6
11016,Benzonitrile,bmse000284,2,135.1116,12.5
11017,Benzonitrile,bmse000284,3,131.8912,12.48
11018,Choline,bmse000285,1,70.1479,3.39
11019,Choline,bmse000285,2,70.1177,3.59
11020,Choline,bmse000285,3,70.0875,3.34
11021,Choline,bmse000285,4,58.3089,8.06
11022,Choline,bmse000285,5,56.621,11.8
11023,Choline,bmse000285,6,56.5813,12.5
11024,Choline,bmse000285,7,56.542,12.01
11025,Acetophenone,bmse000286,1,136.8469,7.17
11026,Acetophenone,bmse000286,2,131.5104,12.5
11027,Acetophenone,bmse000286,3,131.2516,11.84
11028,Acetophenone,bmse000286,4,28.9711,3.47
11029,Pantothenate,bmse000287,1,183.0208,3.24
11030,Pantothenate,bmse000287,2,177.6531,4.02
11031,Pantothenate,bmse000287,3,78.4586,12.5
11032,Pantothenate,bmse000287,4,71.0985,10.81
11033,Pantothenate,bmse000287,5,41.2778,8.26
11034,Pantothenate,bmse000287,6,39.3779,10.45
11035,Pantothenate,bmse000287,7,38.8533,9.94
11036,Pantothenate,bmse000287,8,23.2349,9.96
11037,Pantothenate,bmse000287,9,21.8424,10.1
11038,Pyridoxine,bmse000288,1,163.4259,2.28
11039,Pyridoxine,bmse000288,2,146.9983,3.52
11040,Pyridoxine,bmse000288,3,141.4468,3.78
11041,Pyridoxine,bmse000288,4,138.1842,4.52
11042,Pyridoxine,bmse000288,5,127.4073,3.84
11043,Pyridoxine,bmse000288,6,61.4656,12.5
11044,Pyridoxine,bmse000288,7,58.6687,10.33
11045,Pyridoxine,bmse000288,8,18.2013,8.23
11046,S_Adenosyl_L_homocysteine,bmse000289,1,176.8876,4.61
11047,S_Adenosyl_L_homocysteine,bmse000289,2,158.3878,3.44
11048,S_Adenosyl_L_homocysteine,bmse000289,3,155.6615,9.39
11049,S_Adenosyl_L_homocysteine,bmse000289,4,151.6956,3.2
11050,S_Adenosyl_L_homocysteine,bmse000289,5,142.814,7.91
11051,S_Adenosyl_L_homocysteine,bmse000289,6,121.5644,2.04
11052,S_Adenosyl_L_homocysteine,bmse000289,7,90.125,10.63
11053,S_Adenosyl_L_homocysteine,bmse000289,8,90.0104,2.04
11054,S_Adenosyl_L_homocysteine,bmse000289,9,86.1029,11.9
11055,S_Adenosyl_L_homocysteine,bmse000289,10,75.9715,11.38
11056,S_Adenosyl_L_homocysteine,bmse000289,11,75.0004,12.5
11057,S_Adenosyl_L_homocysteine,bmse000289,12,56.4364,10.43
11058,S_Adenosyl_L_homocysteine,bmse000289,13,36.2065,8.4
11059,S_Adenosyl_L_homocysteine,bmse000289,14,33.1203,8.91
11060,S_Adenosyl_L_homocysteine,bmse000289,15,30.4627,9.14
11061,Phenol,bmse000290,1,132.703,11.87
11062,Phenol,bmse000290,2,123.3534,6.56
11063,Phenol,bmse000290,3,118.0886,12.5
11064,Selenomethionine,bmse000291,1,176.8764,2.7
11065,Selenomethionine,bmse000291,2,57.3265,11.71
11066,Selenomethionine,bmse000291,3,33.5106,11.73
11067,Selenomethionine,bmse000291,4,21.8408,12.5
11068,Selenomethionine,bmse000291,5,5.875,6.96
11069,UDPglucuronate,bmse000292,1,179.1513,4.63
11070,UDPglucuronate,bmse000292,2,169.0242,5.14
11071,UDPglucuronate,bmse000292,3,154.6097,3.93
11072,UDPglucuronate,bmse000292,4,144.2873,8.42
11073,UDPglucuronate,bmse000292,5,105.4108,10.1
11074,UDPglucuronate,bmse000292,6,98.1166,5.83
11075,UDPglucuronate,bmse000292,7,98.0506,5.78
11076,UDPglucuronate,bmse000292,8,91.0126,10.69
11077,UDPglucuronate,bmse000292,9,86.0368,5.52
11078,UDPglucuronate,bmse000292,10,85.9455,5.68
11079,UDPglucuronate,bmse000292,11,76.498,12.5
11080,UDPglucuronate,bmse000292,12,75.7603,10.99
11081,UDPglucuronate,bmse000292,13,75.2986,10.18
11082,UDPglucuronate,bmse000292,14,74.5675,11.19
11083,UDPglucuronate,bmse000292,15,74.1227,5.66
11084,UDPglucuronate,bmse000292,16,74.0395,5.54
11085,UDPglucuronate,bmse000292,17,72.367,11.96
11086,UDPglucuronate,bmse000292,18,67.7081,4.35
11087,UDPglucuronate,bmse000292,19,67.6532,4.54
11088,UDPglucuronate,bmse000292,20,60.142,1.01
11089,UDPglucuronate,bmse000292,21,19.5053,1.3
11090,Hydroquinone,bmse000293,1,151.6552,1.09
11091,Hydroquinone,bmse000293,2,119.0705,12.5
11092,Methanol,bmse000294,1,51.571,12.5
11093,Methanol,bmse000294,2,8.3835,1.29
11094,UTP,bmse000295,1,169.0527,4.84
11095,UTP,bmse000295,2,154.6305,3.56
11096,UTP,bmse000295,3,144.4685,8.62
11097,UTP,bmse000295,4,105.3558,9.9
11098,UTP,bmse000295,5,90.9803,10.91
11099,UTP,bmse000295,6,86.0794,5.45
11100,UTP,bmse000295,7,85.9897,5.66
11101,UTP,bmse000295,8,76.4645,12.5
11102,UTP,bmse000295,9,72.1667,11.59
11103,UTP,bmse000295,10,67.5196,4.26
11104,UTP,bmse000295,11,67.4644,4.32
11105,UTP,bmse000295,12,60.1427,1.1
11106,dTMP,bmse000296,1,169.2356,1.23
11107,dTMP,bmse000296,2,160.5265,1.29
11108,dTMP,bmse000296,3,154.4333,1.31
11109,dTMP,bmse000296,4,140.1216,3.35
11110,dTMP,bmse000296,5,114.2982,2.37
11111,dTMP,bmse000296,6,88.3382,2.04
11112,dTMP,bmse000296,7,88.2519,1.87
11113,dTMP,bmse000296,8,87.8416,3.66
11114,dTMP,bmse000296,9,73.7576,4.03
11115,dTMP,bmse000296,10,69.7071,3.43
11116,dTMP,bmse000296,11,69.6331,3.39
11117,dTMP,bmse000296,12,68.674,6.88
11118,dTMP,bmse000296,13,67.0077,1.54
11119,dTMP,bmse000296,14,66.9519,1.6
11120,dTMP,bmse000296,15,57.1741,5.62
11121,dTMP,bmse000296,16,50.7174,6.42
11122,dTMP,bmse000296,17,47.4494,6.5
11123,dTMP,bmse000296,18,41.3959,3.4
11124,dTMP,bmse000296,19,35.6124,12.5
11125,dTMP,bmse000296,20,27.378,11.97
11126,dTMP,bmse000296,21,27.3297,7.39
11127,dTMP,bmse000296,22,14.3887,4.03
11128,Ethanol,bmse000297,1,60.1347,10.57
11129,Ethanol,bmse000297,2,19.4922,12.5
11130,D_Glyceraldehyde,bmse000298,1,92.4619,11.47
11131,D_Glyceraldehyde,bmse000298,2,76.7643,11.97
11132,D_Glyceraldehyde,bmse000298,3,67.5383,2.02
11133,D_Glyceraldehyde,bmse000298,4,64.6757,12.5
11134,Folate,bmse000299,1,185.1947,10.02
11135,Folate,bmse000299,2,182.1813,8.33
11136,Folate,bmse000299,3,171.6618,6.23
11137,Folate,bmse000299,4,167.4706,1.1
11138,Folate,bmse000299,5,156.8561,3.58
11139,Folate,bmse000299,6,154.9662,1.2
11140,Folate,bmse000299,7,152.4534,5.63
11141,Folate,bmse000299,8,150.9644,2.57
11142,Folate,bmse000299,9,150.4027,4.37
11143,Folate,bmse000299,10,131.6987,1.03
11144,Folate,bmse000299,11,131.3015,7.38
11145,Folate,bmse000299,12,129.0129,4.84
11146,Folate,bmse000299,13,123.0856,5.17
11147,Folate,bmse000299,14,113.9108,6.41
11148,Folate,bmse000299,15,58.6333,8.76
11149,Folate,bmse000299,16,47.4239,2.98
11150,Folate,bmse000299,17,37.0651,12.5
11151,Folate,bmse000299,18,31.1742,7.87
11152,Benzoate,bmse000300,1,138.9121,1.04
11153,Benzoate,bmse000300,2,133.9731,7.03
11154,Benzoate,bmse000300,3,131.4957,12.46
11155,Benzoate,bmse000300,4,131.0181,12.5
11156,1_3_diaminopropane,bmse000001,1,39.3182,12.5
11157,1_3_diaminopropane,bmse000001,2,27.6038,6.62
11158,2_3_diphospho_D_glyceric_acid,bmse000002,1,180.6244,6.14
11159,2_3_diphospho_D_glyceric_acid,bmse000002,2,77.8926,9.81
11160,2_3_diphospho_D_glyceric_acid,bmse000002,3,77.8397,8.95
11161,2_3_diphospho_D_glyceric_acid,bmse000002,4,77.8017,8.58
11162,2_3_diphospho_D_glyceric_acid,bmse000002,5,77.7593,8.04
11163,2_3_diphospho_D_glyceric_acid,bmse000002,6,69.2089,12.5
11164,2_deoxyguanosine,bmse000003,1,140.4376,7.32
11165,2_deoxyguanosine,bmse000003,2,89.8652,7.61
11166,2_deoxyguanosine,bmse000003,3,86.6745,9.57
11167,2_deoxyguanosine,bmse000003,4,73.9059,12.5
11168,2_deoxyguanosine,bmse000003,5,64.3305,8.45
11169,2_deoxyguanosine,bmse000003,6,41.3976,8.86
11170,adenine,bmse000060,1,153.1875,0.8
11171,adenine,bmse000060,2,151.829,1.02
11172,adenine,bmse000060,3,147.5748,11.47
11173,adenine,bmse000060,4,146.3944,12.5
11174,adenine,bmse000060,5,118.324,0.66
11175,adenosine,bmse000061,1,155.2065,8.59
11795,NAD,bmse000053,15,89.3547,10.54
11176,adenosine,bmse000061,2,151.091,3.13
11177,adenosine,bmse000061,3,143.2708,6.58
11178,adenosine,bmse000061,4,91.0332,10.74
11179,adenosine,bmse000061,5,88.5401,11.36
11180,adenosine,bmse000061,6,76.3929,12.5
11181,adenosine,bmse000061,7,73.3525,11.01
11182,adenosine,bmse000061,8,64.2162,10.03
11183,adenosine,bmse000061,9,133.0864,1.07
11184,adonitol,bmse000062,1,74.8925,6.76
11185,adonitol,bmse000062,2,74.8008,11.44
11186,adonitol,bmse000062,3,65.0705,12.5
11187,ADP,bmse000004,1,158.1533,6.68
11188,ADP,bmse000004,2,155.4207,12.01
11189,ADP,bmse000004,3,151.6456,1.97
11190,ADP,bmse000004,4,151.5495,1.81
11191,ADP,bmse000004,5,142.8127,2.95
11192,ADP,bmse000004,6,142.5832,3.64
11193,ADP,bmse000004,7,121.1747,1.72
11194,ADP,bmse000004,8,89.778,10.17
11195,ADP,bmse000004,9,89.5551,6.01
11196,ADP,bmse000004,10,87.4621,3.15
11197,ADP,bmse000004,11,87.3746,3.43
11198,ADP,bmse000004,12,86.4858,4.81
11199,ADP,bmse000004,13,86.3979,5.28
11200,ADP,bmse000004,14,77.2288,6.53
11201,ADP,bmse000004,15,77.0622,12.5
11202,ADP,bmse000004,16,73.4056,6.43
11203,ADP,bmse000004,17,72.6057,12.04
11204,ADP,bmse000004,18,67.1794,3.82
11205,ADP,bmse000004,19,67.1297,3.91
11206,ADP,bmse000004,20,66.2518,2.61
11207,ADP,bmse000004,21,66.2091,2.71
11208,agmatine,bmse000063,1,159.5178,1.15
11209,agmatine,bmse000063,2,43.1542,9.26
11210,agmatine,bmse000063,3,41.7324,8.53
11211,agmatine,bmse000063,4,27.7024,11.07
11212,agmatine,bmse000063,5,26.715,12.5
11213,D_allose,bmse000008,1,96.1036,10.7
11214,D_allose,bmse000008,2,95.5286,1.55
11215,D_allose,bmse000008,3,76.2932,11.82
11216,D_allose,bmse000008,4,74.3841,1.58
11217,D_allose,bmse000008,5,73.9304,11.03
11218,D_allose,bmse000008,6,73.8513,12.02
11219,D_allose,bmse000008,7,69.7109,1.21
11220,D_allose,bmse000008,8,69.5516,1.22
11221,D_allose,bmse000008,9,69.4757,12.5
11222,D_allose,bmse000008,10,68.7507,2.03
11223,D_allose,bmse000008,11,63.8517,10.79
11224,D_allose,bmse000008,12,63.3663,1.24
11225,D_fructose,bmse000010,1,100.7878,2.8
11226,D_fructose,bmse000010,2,83.3844,4
11227,D_fructose,bmse000010,3,78.7409,1.35
11228,D_fructose,bmse000010,4,78.0833,3.23
11229,D_fructose,bmse000010,5,77.1431,3.97
11230,D_fructose,bmse000010,6,72.3808,12.5
11231,D_fructose,bmse000010,7,71.9017,10.92
11232,D_fructose,bmse000010,8,70.2559,10.72
11233,D_fructose,bmse000010,9,66.587,11.06
11234,D_fructose,bmse000010,10,66.0735,12.1
11235,D_fructose,bmse000010,11,65.3682,3.85
11236,D_fructose,bmse000010,12,65.074,4.07
11237,D_galactose,bmse000013,1,99.1714,10.5
11238,D_galactose,bmse000013,2,94.9986,5.59
11239,D_galactose,bmse000013,3,77.8681,12.5
11240,D_galactose,bmse000013,4,75.5121,11.36
11241,D_galactose,bmse000013,5,74.5893,11.5
11242,D_galactose,bmse000013,6,73.1956,6.08
11243,D_galactose,bmse000013,7,72.0185,5.93
11244,D_galactose,bmse000013,8,71.879,5.94
11245,D_galactose,bmse000013,9,71.4595,12.5
11246,D_galactose,bmse000013,10,71.0589,5.22
11247,D_galactose,bmse000013,11,63.8951,5.64
11248,D_galactose,bmse000013,12,63.6909,11.96
11249,D_glucose,bmse000015,1,98.6177,12.18
11250,D_glucose,bmse000015,2,94.8017,7.46
11251,D_glucose,bmse000015,3,78.6602,12.5
11252,D_glucose,bmse000015,4,78.46,12.38
11253,D_glucose,bmse000015,5,76.8429,11.94
11254,D_glucose,bmse000015,6,75.4621,6.95
11255,D_glucose,bmse000015,7,74.1868,7.96
11256,D_glucose,bmse000015,8,74.1521,7.85
11257,D_glucose,bmse000015,9,72.3476,7.59
11258,D_glucose,bmse000015,10,72.3041,12.25
11259,D_glucose,bmse000015,11,63.4496,11.55
11260,D_glucose,bmse000015,12,63.2877,6.43
11261,D_mannose,bmse000018,1,96.747,10.66
11262,D_mannose,bmse000018,2,96.3827,5.27
11263,D_mannose,bmse000018,3,78.8753,4.9
11264,D_mannose,bmse000018,4,75.7486,5.48
11265,D_mannose,bmse000018,5,75.1093,11.15
11266,D_mannose,bmse000018,6,73.9252,5.51
11267,D_mannose,bmse000018,7,73.3921,10.59
11268,D_mannose,bmse000018,8,72.9329,10.68
11269,D_mannose,bmse000018,9,69.5495,10.82
11270,D_mannose,bmse000018,10,69.3058,5.88
11271,D_mannose,bmse000018,11,63.666,12.5
11272,D_psicose,bmse000020,1,105.9793,2.62
11273,D_psicose,bmse000020,2,101.1482,2.31
11274,D_psicose,bmse000020,3,85.4184,12.5
11275,D_psicose,bmse000020,4,77.3405,2.67
11276,D_psicose,bmse000020,5,74.437,5.54
11277,D_psicose,bmse000020,6,73.7152,3.61
11278,D_psicose,bmse000020,7,73.0555,10.59
11279,D_psicose,bmse000020,8,73.0326,11.16
11280,D_psicose,bmse000020,9,72.9119,5.49
11281,D_psicose,bmse000020,10,71.7174,6.08
11282,D_psicose,bmse000020,11,68.562,7.08
11283,D_psicose,bmse000020,12,68.1859,7.9
11284,D_psicose,bmse000020,13,67.7838,6.98
11285,D_psicose,bmse000020,14,66.8844,6.45
11286,D_psicose,bmse000020,15,66.6778,4.36
11287,D_psicose,bmse000020,16,65.9583,9.93
11288,D_psicose,bmse000020,17,65.7568,6.2
11289,D_psicose,bmse000020,18,65.5148,3.26
11290,D_psicose,bmse000020,19,65.0727,3.8
11291,D_psicose,bmse000020,20,64.029,7.13
11292,D_psicose,bmse000020,21,60.6736,5.34
11293,D_sorbose,bmse000022,1,100.4423,2.8
11294,D_sorbose,bmse000022,2,76.5308,8.63
11295,D_sorbose,bmse000022,3,73.0506,8.72
11296,D_sorbose,bmse000022,4,72.1197,12.5
11297,D_sorbose,bmse000022,5,66.1492,9.88
11298,D_sorbose,bmse000022,6,64.4696,11
11299,D_tagatose,bmse000023,1,100.9098,3.49
11300,D_tagatose,bmse000023,2,73.6229,12.5
11301,D_tagatose,bmse000023,3,72.484,10.38
11302,D_tagatose,bmse000023,4,71.9743,2.2
11303,D_tagatose,bmse000023,5,69.0595,10.53
11304,D_tagatose,bmse000023,6,66.5918,10.06
11305,D_tagatose,bmse000023,7,66.403,1.92
11306,D_tagatose,bmse000023,8,66.1917,1.73
11307,D_tagatose,bmse000023,9,64.9495,7.98
11308,D_tagatose,bmse000023,10,62.8345,1.69
11309,D_xylose,bmse000026,1,99.3304,11.78
11310,D_xylose,bmse000026,2,94.9405,6.48
11311,D_xylose,bmse000026,3,78.526,10.11
11312,D_xylose,bmse000026,4,76.7418,12.5
11313,D_xylose,bmse000026,5,75.5229,5.77
11314,D_xylose,bmse000026,6,74.1661,6.42
11315,D_xylose,bmse000026,7,72.1118,6.54
11316,D_xylose,bmse000026,8,71.9378,12.28
11317,D_xylose,bmse000026,9,67.899,10.25
11318,D_xylose,bmse000026,10,63.6456,5.21
11319,alpha_ketoglutaric_acid,bmse000064,1,184.1528,2.07
11320,alpha_ketoglutaric_acid,bmse000064,2,38.5723,12.5
11321,alpha_ketoglutaric_acid,bmse000064,3,33.3219,9.83
11322,alpha_lactose,bmse000065,1,105.6382,8.25
11323,alpha_lactose,bmse000065,2,98.4725,7.33
11324,alpha_lactose,bmse000065,3,94.539,4.05
11325,alpha_lactose,bmse000065,4,81.1636,3.89
11326,alpha_lactose,bmse000065,5,81.0377,6.84
11327,alpha_lactose,bmse000065,6,78.0734,12.5
11328,alpha_lactose,bmse000065,7,77.522,7.34
11329,alpha_lactose,bmse000065,8,77.0808,7.32
11330,alpha_lactose,bmse000065,9,76.5296,7.28
11331,alpha_lactose,bmse000065,10,75.2407,11.24
11332,alpha_lactose,bmse000065,11,74.1286,4.28
11333,alpha_lactose,bmse000065,12,73.8715,4.75
11334,alpha_lactose,bmse000065,13,73.6835,9.31
11335,alpha_lactose,bmse000065,14,72.8271,3.84
11336,alpha_lactose,bmse000065,15,71.272,8.2
11337,alpha_lactose,bmse000065,16,63.7524,7.27
11338,alpha_lactose,bmse000065,17,62.8108,4.95
11339,alpha_lactose,bmse000065,18,62.6765,3.11
11340,4_aminobenzoic_acid,bmse000066,1,133.5667,12.5
11341,4_aminobenzoic_acid,bmse000066,2,128.9442,1.1
11342,4_aminobenzoic_acid,bmse000066,3,117.8119,11.36
11343,AMP,bmse000005,1,158.1415,3.52
11344,AMP,bmse000005,2,155.4083,9.41
11345,AMP,bmse000005,3,151.6344,4.45
11346,AMP,bmse000005,4,142.8031,7.78
11347,AMP,bmse000005,5,121.1486,2.72
11348,AMP,bmse000005,6,89.5563,11.53
11349,AMP,bmse000005,7,87.4594,6.04
11350,AMP,bmse000005,8,87.3722,6.06
11351,AMP,bmse000005,9,77.2299,12.5
11352,AMP,bmse000005,10,73.4036,12.24
11353,AMP,bmse000005,11,66.25,4.83
11354,AMP,bmse000005,12,66.2055,5.13
11355,anthranilic_acid,bmse000067,1,150.2702,2.1
11356,anthranilic_acid,bmse000067,2,134.7227,10.28
11357,anthranilic_acid,bmse000067,3,133.6538,12.5
11358,anthranilic_acid,bmse000067,4,123.4956,1.99
11359,anthranilic_acid,bmse000067,5,120.6937,11.1
11360,anthranilic_acid,bmse000067,6,120.3926,11.42
11361,L_arabitol,bmse000068,1,73.609,12.5
11362,L_arabitol,bmse000068,2,73.1399,11.93
11363,L_arabitol,bmse000068,3,72.9514,12.49
11364,L_arabitol,bmse000068,4,65.7296,10.81
11365,L_arabitol,bmse000068,5,65.6383,9.86
11366,ATP,bmse000006,1,158.2621,4.05
11367,ATP,bmse000006,2,155.4997,9.32
11368,ATP,bmse000006,3,151.7848,3.62
11369,ATP,bmse000006,4,142.6155,7.12
11370,ATP,bmse000006,5,121.2616,2.51
11371,ATP,bmse000006,6,89.3634,10.94
11372,ATP,bmse000006,7,86.7432,5.75
11373,ATP,bmse000006,8,86.6543,5.65
11374,ATP,bmse000006,9,76.9481,12.5
11375,ATP,bmse000006,10,72.9427,11.75
11376,ATP,bmse000006,11,67.8017,4.32
11377,ATP,bmse000006,12,67.7473,4.42
11378,betaine,bmse000069,1,171.9654,1.21
11379,betaine,bmse000069,2,68.893,3.07
11380,betaine,bmse000069,3,68.8587,3.29
11381,betaine,bmse000069,4,68.8297,3.27
11382,betaine,bmse000069,5,56.0898,10.14
11383,betaine,bmse000069,6,56.0509,12.5
11384,betaine,bmse000069,7,56.0118,10.21
11385,betaine_aldehyde,bmse000070,1,87.5694,9.74
11386,betaine_aldehyde,bmse000070,2,56.9587,10.45
11387,betaine_aldehyde,bmse000070,3,56.9195,12.5
11388,betaine_aldehyde,bmse000070,4,56.8886,11.17
11389,cadaverine,bmse000072,1,41.871,11.66
11390,cadaverine,bmse000072,2,28.9617,12.5
11391,cadaverine,bmse000072,3,25.3762,5.64
11392,cAMP,bmse000071,1,158.0318,4.3
11393,cAMP,bmse000071,2,155.524,10.63
11394,cAMP,bmse000071,3,150.7719,4.62
11395,cAMP,bmse000071,4,142.3466,9.68
11396,cAMP,bmse000071,5,121.2041,3.29
11397,cAMP,bmse000071,6,94.2109,12.5
11398,cAMP,bmse000071,7,80.0206,6.2
11399,cAMP,bmse000071,8,79.9754,6.98
11400,cAMP,bmse000071,9,75.0214,7.05
11401,cAMP,bmse000071,10,74.9418,7.25
11402,cAMP,bmse000071,11,74.463,6.46
11403,cAMP,bmse000071,12,70.0836,5.58
11404,cAMP,bmse000071,13,70.0142,5.05
11405,L_canavanine,bmse000073,1,177.0117,3.9
11406,L_canavanine,bmse000073,2,161.2671,2
11407,L_canavanine,bmse000073,3,74.5403,11.99
11408,L_canavanine,bmse000073,4,55.2855,12.02
11409,L_canavanine,bmse000073,5,31.809,12.5
11410,D_carnitine,bmse000074,1,180.7779,2.25
11411,D_carnitine,bmse000074,2,72.8193,4.47
11412,D_carnitine,bmse000074,3,72.7942,3.83
11413,D_carnitine,bmse000074,4,66.791,9.37
11414,D_carnitine,bmse000074,5,56.8328,10.48
11415,D_carnitine,bmse000074,6,56.7941,12.5
11416,D_carnitine,bmse000074,7,56.7554,10.44
11417,D_carnitine,bmse000074,8,45.6802,6.79
11418,chorismic_acid,bmse000075,1,155.9825,4.51
11419,chorismic_acid,bmse000075,2,137.1007,3.63
11420,chorismic_acid,bmse000075,3,132.6303,11.7
11421,chorismic_acid,bmse000075,4,131.7674,9.54
11422,chorismic_acid,bmse000075,5,126.7891,9.9
11423,chorismic_acid,bmse000075,6,95.5643,8.84
11424,chorismic_acid,bmse000075,7,82.3153,12.5
11425,chorismic_acid,bmse000075,8,72.8256,12.45
11426,citrate,bmse000076,1,184.7215,1.13
11427,citrate,bmse000076,2,182.0353,2.11
11428,citrate,bmse000076,3,77.9249,1.44
11429,citrate,bmse000076,4,48.4023,12.5
11430,coumarin,bmse000077,1,163.4646,0.72
11431,coumarin,bmse000077,2,156.7265,1.12
11432,coumarin,bmse000077,3,146.1206,6.54
11433,coumarin,bmse000077,4,134.5133,12.5
11434,coumarin,bmse000077,5,130.5441,8.87
11435,coumarin,bmse000077,6,127.1083,11.93
11436,coumarin,bmse000077,7,121.5098,1.08
11437,coumarin,bmse000077,8,119.5804,6.82
11438,coumarin,bmse000077,9,119.3784,7.14
11439,creatine,bmse000078,1,177.3494,1.87
11440,creatine,bmse000078,2,56.549,12.5
11441,creatine,bmse000078,3,39.6249,7.16
11442,creatine_phosphate,bmse000079,1,177.5977,1.69
11443,creatine_phosphate,bmse000079,2,56.5658,12.5
11444,creatine_phosphate,bmse000079,3,39.5149,7.02
11445,dehydro_proline,bmse000080,1,174.9837,1.15
11446,dehydro_proline,bmse000080,2,128.3998,11.9
11447,dehydro_proline,bmse000080,3,128.1163,10.28
11448,dehydro_proline,bmse000080,4,71.129,8.12
11449,dehydro_proline,bmse000080,5,55.1054,12.5
11450,D_3_phosphoglyceric_acid,bmse000007,1,181.5589,4.18
11451,D_3_phosphoglyceric_acid,bmse000007,2,75.6758,11.64
11452,D_3_phosphoglyceric_acid,bmse000007,3,75.5997,9.71
11453,D_3_phosphoglyceric_acid,bmse000007,4,69.5144,10.45
11454,D_3_phosphoglyceric_acid,bmse000007,5,69.4639,12.5
11455,D_fructose_1_6_bisphosphate,bmse000011,1,107.7441,1.24
11456,D_fructose_1_6_bisphosphate,bmse000011,2,107.6859,1.45
11457,D_fructose_1_6_bisphosphate,bmse000011,3,103.7998,2.79
11458,D_fructose_1_6_bisphosphate,bmse000011,4,103.7169,2.58
11459,D_fructose_1_6_bisphosphate,bmse000011,5,84.7524,1.84
11460,D_fructose_1_6_bisphosphate,bmse000011,6,84.6734,1.8
11461,D_fructose_1_6_bisphosphate,bmse000011,7,84.1618,3.88
11462,D_fructose_1_6_bisphosphate,bmse000011,8,82.4331,4.33
11463,D_fructose_1_6_bisphosphate,bmse000011,9,82.3517,4.54
11464,D_fructose_1_6_bisphosphate,bmse000011,10,79.436,3.58
11465,D_fructose_1_6_bisphosphate,bmse000011,11,78.4857,12.5
11466,D_fructose_1_6_bisphosphate,bmse000011,12,76.8309,8.44
11467,D_fructose_1_6_bisphosphate,bmse000011,13,68.3534,4.96
11468,D_fructose_1_6_bisphosphate,bmse000011,14,67.3714,1.78
11469,D_fructose_1_6_bisphosphate,bmse000011,15,67.0519,6.07
11470,D_fructose_1_6_bisphosphate,bmse000011,16,67.0078,5.96
11471,D_fructose_1_6_bisphosphate,bmse000011,17,66.9036,2.2
11472,D_fructose_1_6_bisphosphate,bmse000011,18,66.8591,2.2
11473,D_fructose_6_phosphate,bmse000012,1,107.1352,1.18
11474,D_fructose_6_phosphate,bmse000012,2,104.1799,5.96
11475,D_fructose_6_phosphate,bmse000012,3,84.4579,2.69
11476,D_fructose_6_phosphate,bmse000012,4,83.1582,1.38
11477,D_fructose_6_phosphate,bmse000012,5,83.081,1.12
11478,D_fructose_6_phosphate,bmse000012,6,82.6592,6.1
11479,D_fructose_6_phosphate,bmse000012,7,82.5783,5.8
11480,D_fructose_6_phosphate,bmse000012,8,78.536,2.85
11481,D_fructose_6_phosphate,bmse000012,9,77.8697,12.5
11482,D_fructose_6_phosphate,bmse000012,10,77.0604,11.73
11483,D_fructose_6_phosphate,bmse000012,11,67.0498,5.65
11484,D_fructose_6_phosphate,bmse000012,12,67.0041,5.36
11485,D_fructose_6_phosphate,bmse000012,13,66.1661,1.42
11486,D_fructose_6_phosphate,bmse000012,14,65.5593,2.38
11487,D_fructose_6_phosphate,bmse000012,15,65.331,9.82
11488,D_glucosamine,bmse000014,1,96.4205,8.72
11796,NAD,bmse000053,16,86.5859,5.25
11489,D_glucosamine,bmse000014,2,92.2506,9.77
11490,D_glucosamine,bmse000014,3,78.8513,9.64
11491,D_glucosamine,bmse000014,4,75.5831,6.35
11492,D_glucosamine,bmse000014,5,74.3295,12.27
11493,D_glucosamine,bmse000014,6,72.756,10.13
11494,D_glucosamine,bmse000014,7,72.4003,6.63
11495,D_glucosamine,bmse000014,8,72.3164,12.5
11496,D_glucosamine,bmse000014,9,63.2588,6.09
11497,D_glucosamine,bmse000014,10,63.0618,8.38
11498,D_glucosamine,bmse000014,11,59.6201,8.02
11499,D_glucosamine,bmse000014,12,57.0959,11.82
11500,D_glucose_6_phosphate,bmse000016,1,98.7788,8.55
11501,D_glucose_6_phosphate,bmse000016,2,94.9276,4.89
11502,D_glucose_6_phosphate,bmse000016,3,78.1764,4.82
11503,D_glucose_6_phosphate,bmse000016,4,78.106,3.56
11504,D_glucose_6_phosphate,bmse000016,5,77.9455,6.69
11505,D_glucose_6_phosphate,bmse000016,6,76.9831,9.41
11506,D_glucose_6_phosphate,bmse000016,7,75.0341,3.92
11507,D_glucose_6_phosphate,bmse000016,8,74.314,4.27
11508,D_glucose_6_phosphate,bmse000016,9,73.8171,2.12
11509,D_glucose_6_phosphate,bmse000016,10,73.7484,2.83
11510,D_glucose_6_phosphate,bmse000016,11,71.7635,12.5
11511,D_glucose_6_phosphate,bmse000016,12,65.5737,3.84
11512,D_glucose_6_phosphate,bmse000016,13,65.5308,3.24
11513,D_glucose_6_phosphate,bmse000016,14,65.4799,2.31
11514,D_maltose,bmse000017,1,102.3099,6.16
11515,D_maltose,bmse000017,2,102.2275,9.38
11516,D_maltose,bmse000017,3,98.4704,10.34
11517,D_maltose,bmse000017,4,94.5912,6.33
11518,D_maltose,bmse000017,5,79.5285,5.17
11519,D_maltose,bmse000017,6,79.3217,8.47
11520,D_maltose,bmse000017,7,78.9276,9.15
11521,D_maltose,bmse000017,8,77.2648,10.83
11522,D_maltose,bmse000017,9,76.7045,8.61
11523,D_maltose,bmse000017,10,75.9471,5.48
11524,D_maltose,bmse000017,11,75.5584,7.84
11525,D_maltose,bmse000017,12,75.5345,10.55
11526,D_maltose,bmse000017,13,75.3859,9.92
11527,D_maltose,bmse000017,14,74.4492,5.89
11528,D_maltose,bmse000017,15,74.3558,8.17
11529,D_maltose,bmse000017,16,73.9924,5.77
11530,D_maltose,bmse000017,17,72.6486,6.16
11531,D_maltose,bmse000017,18,72.0198,8.44
11532,D_maltose,bmse000017,19,63.4361,6.09
11533,D_maltose,bmse000017,20,63.2871,4.41
11534,D_maltose,bmse000017,21,63.1596,12.5
11535,D_ornithine,bmse000019,1,56.8208,12.5
11536,D_ornithine,bmse000019,2,41.5722,10.12
11537,D_ornithine,bmse000019,3,30.1825,12.11
11538,D_ornithine,bmse000019,4,25.4604,8.77
11539,D_threo_isocitric_acid,bmse000025,1,183.683,6.79
11540,D_threo_isocitric_acid,bmse000025,2,182.958,3.11
11541,D_threo_isocitric_acid,bmse000025,3,76.3916,11.16
11542,D_threo_isocitric_acid,bmse000025,4,51.8047,12.5
11543,D_threo_isocitric_acid,bmse000025,5,40.3285,10.98
11544,D_xylulose,bmse000027,1,108.4502,1.01
11545,D_xylulose,bmse000027,2,105.6511,3.08
11546,D_xylulose,bmse000027,3,83.18,3.1
11547,D_xylulose,bmse000027,4,78.9065,11.61
11548,D_xylulose,bmse000027,5,78.5426,3.96
11549,D_xylulose,bmse000027,6,78.011,2.93
11550,D_xylulose,bmse000027,7,77.5565,9.89
11551,D_xylulose,bmse000027,8,74.6749,2.45
11552,D_xylulose,bmse000027,9,74.6163,2.47
11553,D_xylulose,bmse000027,10,72.5201,10.76
11554,D_xylulose,bmse000027,11,68.7345,3.03
11555,D_xylulose,bmse000027,12,65.6799,12.5
11556,D_xylulose,bmse000027,13,65.1062,3.07
11557,D_xylulose,bmse000027,14,64.5556,3.06
11558,fumaric_acid,bmse000083,1,177.424,1.91
11559,fumaric_acid,bmse000083,2,138.042,12.5
11560,gluconic_acid,bmse000084,1,181.3386,1.89
11561,gluconic_acid,bmse000084,2,76.7743,10.33
11562,gluconic_acid,bmse000084,3,75.2613,9.8
11563,gluconic_acid,bmse000084,4,73.8705,12.36
11564,gluconic_acid,bmse000084,5,73.6525,10.2
11565,gluconic_acid,bmse000084,6,65.308,12.5
11566,alpha_D_glucose_1_phosphate,bmse000086,1,96.3867,5.99
11567,alpha_D_glucose_1_phosphate,bmse000086,2,96.3335,6.2
11568,alpha_D_glucose_1_phosphate,bmse000086,3,75.8391,10.34
11569,alpha_D_glucose_1_phosphate,bmse000086,4,74.9392,5.94
11570,alpha_D_glucose_1_phosphate,bmse000086,5,74.871,6.51
11571,alpha_D_glucose_1_phosphate,bmse000086,6,74.7037,12.5
11572,alpha_D_glucose_1_phosphate,bmse000086,7,72.4482,11.49
11573,alpha_D_glucose_1_phosphate,bmse000086,8,63.3999,9.58
11574,alpha_D_glucose_1_6_bisphosphate,bmse000087,1,96.6014,6.13
11575,alpha_D_glucose_1_6_bisphosphate,bmse000087,2,96.5465,7.96
11576,alpha_D_glucose_1_6_bisphosphate,bmse000087,3,75.3449,11.03
11577,alpha_D_glucose_1_6_bisphosphate,bmse000087,4,75.0612,6.57
11578,alpha_D_glucose_1_6_bisphosphate,bmse000087,5,74.9873,7.68
11579,alpha_D_glucose_1_6_bisphosphate,bmse000087,6,74.3802,6.65
11580,alpha_D_glucose_1_6_bisphosphate,bmse000087,7,74.317,7.4
11581,alpha_D_glucose_1_6_bisphosphate,bmse000087,8,71.5781,12.5
11582,alpha_D_glucose_1_6_bisphosphate,bmse000087,9,65.3993,4.84
11583,alpha_D_glucose_1_6_bisphosphate,bmse000087,10,65.3536,5.06
11584,glycine,bmse000089,1,175.1557,1.97
11585,glycine,bmse000089,2,44.1252,12.5
11586,guanine,bmse000090,1,170.3632,9.04
11587,guanine,bmse000090,2,163.6535,12.5
11588,guanine,bmse000090,3,161.8796,11.9
11589,guanine,bmse000090,4,120.9619,9.12
11590,guanosine,bmse000091,1,170.5025,1.71
11591,guanosine,bmse000091,2,163.3657,1.47
11592,guanosine,bmse000091,3,153.5645,2.67
11593,guanosine,bmse000091,4,139.3656,9.14
11594,guanosine,bmse000091,5,121.0084,1.46
11595,guanosine,bmse000091,6,90.841,11.95
11596,guanosine,bmse000091,7,88.5938,12.21
11597,guanosine,bmse000091,8,75.8197,12.21
11598,guanosine,bmse000091,9,73.7609,12.5
11599,guanosine,bmse000091,10,64.5009,9.96
11600,4_hydroxybenzoic_acid,bmse000092,1,161.2131,1.26
11601,4_hydroxybenzoic_acid,bmse000092,2,133.942,12.5
11602,4_hydroxybenzoic_acid,bmse000092,3,130.8287,1.62
11603,4_hydroxybenzoic_acid,bmse000092,4,117.592,10.22
11604,trans_3_hydroxycinnamic_acid,bmse000093,1,178.4192,2.27
11605,trans_3_hydroxycinnamic_acid,bmse000093,2,158.5422,3.6
11606,trans_3_hydroxycinnamic_acid,bmse000093,3,143.1901,8.95
11607,trans_3_hydroxycinnamic_acid,bmse000093,4,139.6042,3.48
11608,trans_3_hydroxycinnamic_acid,bmse000093,5,133.0298,11.46
11609,trans_3_hydroxycinnamic_acid,bmse000093,6,127.174,8.41
11610,trans_3_hydroxycinnamic_acid,bmse000093,7,122.9365,12.5
11611,trans_3_hydroxycinnamic_acid,bmse000093,8,119.3249,10.36
11612,trans_3_hydroxycinnamic_acid,bmse000093,9,116.6163,10.36
11613,hypoxanthine,bmse000094,1,164.9523,1.17
11614,hypoxanthine,bmse000094,2,159.7264,2.08
11615,hypoxanthine,bmse000094,3,150.37,10.69
11616,hypoxanthine,bmse000094,4,149.1756,12.5
11617,hypoxanthine,bmse000094,5,123.2364,1.06
11618,imidazole,bmse000096,1,137.7708,3.03
11619,imidazole,bmse000096,2,123.4233,12.5
11620,indole,bmse000097,1,138.3981,1.25
11621,indole,bmse000097,2,130.4755,1.24
11622,indole,bmse000097,3,126.7831,8.65
11623,indole,bmse000097,4,124.6229,12.5
11624,indole,bmse000097,5,123.3758,10.66
11625,indole,bmse000097,6,122.4493,10.48
11626,indole,bmse000097,7,113.6756,9.74
11627,indole,bmse000097,8,105.2378,11.58
11628,inosine,bmse000098,1,151.078,2.3
11629,inosine,bmse000098,2,148.9185,8.98
11630,inosine,bmse000098,3,142.8874,7.4
11631,inosine,bmse000098,4,126.8411,1.65
11632,inosine,bmse000098,5,91.1086,8.08
11633,inosine,bmse000098,6,88.2694,11.43
11634,inosine,bmse000098,7,76.7759,12.5
11635,inosine,bmse000098,8,73.0828,10.32
11636,inosine,bmse000098,9,64.0173,8.72
11637,i_erythritol,bmse000095,1,74.6148,12.5
11638,i_erythritol,bmse000095,2,65.3077,8.45
11639,L_alanine,bmse000028,1,178.5574,1.16
11640,L_alanine,bmse000028,2,53.2035,9.48
11641,L_alanine,bmse000028,3,18.8465,12.5
11642,L_arginine,bmse000029,1,177.2125,3.21
11643,L_arginine,bmse000029,2,57.0216,10.14
11644,L_arginine,bmse000029,3,43.2011,12.5
11645,L_arginine,bmse000029,4,30.2885,11.19
11646,L_arginine,bmse000029,5,26.5758,9.54
11647,L_asparagine,bmse000030,1,177.1771,1.47
11648,L_asparagine,bmse000030,2,176.209,1.94
11649,L_asparagine,bmse000030,3,53.9932,12.5
11650,L_asparagine,bmse000030,4,37.2983,11.26
11651,L_aspartic_acid,bmse000031,1,180.297,3.41
11652,L_aspartic_acid,bmse000031,2,176.9954,2.67
11653,L_aspartic_acid,bmse000031,3,54.9142,11.68
11654,L_aspartic_acid,bmse000031,4,39.2604,12.5
11655,L_citrulline,bmse000032,1,177.3878,3.15
11656,L_citrulline,bmse000032,2,164.2805,1.25
11657,L_citrulline,bmse000032,3,57.2048,11.84
11658,L_citrulline,bmse000032,4,41.9551,1.88
11659,L_citrulline,bmse000032,5,30.4444,12.5
11660,L_citrulline,bmse000032,6,27.6682,7.93
11661,L_cystathionine,bmse000033,1,56.4392,8
11662,L_cystathionine,bmse000033,2,56.2614,10.81
11663,L_cystathionine,bmse000033,3,34.8058,9.84
11664,L_cystathionine,bmse000033,4,32.8913,9.2
11665,L_cystathionine,bmse000033,5,29.7625,12.5
11666,L_cysteine,bmse000034,1,58.731,9.48
11667,L_cysteine,bmse000034,2,27.687,12.5
11668,L_cystine,bmse000035,1,183.331,3.03
11669,L_cystine,bmse000035,2,57.5783,12.5
11670,L_cystine,bmse000035,3,46.0281,10.99
11671,L_fucose,bmse000036,1,98.936,11.78
11672,L_fucose,bmse000036,2,94.9206,4.76
11673,L_fucose,bmse000036,3,75.6252,9.59
11674,L_fucose,bmse000036,4,74.6014,4.86
11675,L_fucose,bmse000036,5,74.3627,10.92
11676,L_fucose,bmse000036,6,74.1543,8.8
11677,L_fucose,bmse000036,7,73.586,9.85
11678,L_fucose,bmse000036,8,71.9701,4.6
11679,L_fucose,bmse000036,9,70.7832,3.67
11680,L_fucose,bmse000036,10,69.0314,4.4
11681,L_fucose,bmse000036,11,18.2232,12.5
11682,L_glutamic_acid,bmse000037,1,184.0438,2.16
11683,L_glutamic_acid,bmse000037,2,177.297,1.79
11684,L_glutamic_acid,bmse000037,3,57.3356,12.29
11685,L_glutamic_acid,bmse000037,4,36.1753,9.58
11686,L_glutamic_acid,bmse000037,5,29.6742,12.5
11687,L_glutamine,bmse000038,1,180.3694,1.86
11688,L_glutamine,bmse000038,2,176.8264,2.47
11689,L_glutamine,bmse000038,3,56.8326,9.96
11690,L_glutamine,bmse000038,4,33.528,10.99
11691,L_glutamine,bmse000038,5,28.9528,12.5
11692,L_histidine,bmse000039,1,176.6511,1.83
11693,L_histidine,bmse000039,2,138.9728,9.16
11694,L_histidine,bmse000039,3,134.6686,2.25
11695,L_histidine,bmse000039,4,119.5492,8.47
11696,L_histidine,bmse000039,5,57.4737,12.5
11697,L_histidine,bmse000039,6,30.7804,11.71
11698,L_homoserine,bmse000040,1,177.2374,1.7
11699,L_homoserine,bmse000040,2,61.3363,12.5
11700,L_homoserine,bmse000040,3,56.0719,8.39
11701,L_homoserine,bmse000040,4,34.8823,11.17
11702,L_isoleucine,bmse000041,1,176.9223,1.89
11703,L_isoleucine,bmse000041,2,62.2493,12.5
11704,L_isoleucine,bmse000041,3,38.5957,9.56
11705,L_isoleucine,bmse000041,4,27.1531,12.15
11706,L_isoleucine,bmse000041,5,17.3893,8.4
11707,L_isoleucine,bmse000041,6,13.8035,7.76
11708,L_leucine,bmse000042,1,178.3284,2.9
11709,L_leucine,bmse000042,2,56.1175,11.06
11710,L_leucine,bmse000042,3,42.5151,11.41
11711,L_leucine,bmse000042,4,26.8579,12.5
11712,L_leucine,bmse000042,5,24.7283,9.43
11713,L_leucine,bmse000042,6,23.5808,12.45
11714,L_lysine,bmse000043,1,177.4077,2.58
11715,L_lysine,bmse000043,2,57.1969,9.77
11716,L_lysine,bmse000043,3,41.7595,10.04
11717,L_lysine,bmse000043,4,32.6068,10.59
11718,L_lysine,bmse000043,5,29.1125,12.5
11719,L_lysine,bmse000043,6,24.1325,10.95
11720,malic_acid,bmse000046,1,183.7669,2.25
11721,malic_acid,bmse000046,2,182.5706,2
11722,malic_acid,bmse000046,3,73.0495,9.52
11723,malic_acid,bmse000046,4,45.3174,12.5
11724,L_methionine,bmse000044,1,177.0256,1.63
11725,L_methionine,bmse000044,2,56.5949,11.7
11726,L_methionine,bmse000044,3,32.3948,11.02
11727,L_methionine,bmse000044,4,31.5117,12.5
11728,L_methionine,bmse000044,5,16.6207,5.66
11729,L_phenylalanine,bmse000045,1,137.8245,2.32
11730,L_phenylalanine,bmse000045,2,132.08,12.5
11731,L_phenylalanine,bmse000045,3,131.8234,9.6
11732,L_phenylalanine,bmse000045,4,130.4017,5.37
11733,L_phenylalanine,bmse000045,5,58.7477,5.25
11734,L_phenylalanine,bmse000045,6,39.0993,5.55
11735,L_proline,bmse000047,1,177.4144,1.3
11736,L_proline,bmse000047,2,63.9229,11.05
11737,L_proline,bmse000047,3,48.7631,9.32
11738,L_proline,bmse000047,4,31.6863,12.5
11739,L_proline,bmse000047,5,26.4548,9.6
11740,L_serine,bmse000048,1,62.8928,12.5
11741,L_serine,bmse000048,2,59.0815,8.62
11742,L_threonine,bmse000049,1,175.6411,1.16
11743,L_threonine,bmse000049,2,68.6408,12.03
11744,L_threonine,bmse000049,3,63.1368,12.5
11745,L_threonine,bmse000049,4,22.1352,12.2
11746,L_tryptophan,bmse000050,1,177.255,2.71
11747,L_tryptophan,bmse000050,2,139.0401,1.59
11748,L_tryptophan,bmse000050,3,129.3512,1.89
11749,L_tryptophan,bmse000050,4,127.7463,10.84
11750,L_tryptophan,bmse000050,5,124.8346,12.27
11751,L_tryptophan,bmse000050,6,122.1638,12.5
11752,L_tryptophan,bmse000050,7,121.1566,12.38
11753,L_tryptophan,bmse000050,8,114.6587,10.23
11754,L_tryptophan,bmse000050,9,110.1782,4.04
11755,L_tryptophan,bmse000050,10,57.7537,11.28
11756,L_tryptophan,bmse000050,11,29.1016,11.57
11757,L_tyrosine,bmse000051,1,184.1279,1.35
11758,L_tyrosine,bmse000051,2,163.7886,1.13
11759,L_tyrosine,bmse000051,3,133.3998,10.61
11760,L_tyrosine,bmse000051,4,128.0459,2.21
11761,L_tyrosine,bmse000051,5,120.2955,12.5
11762,L_tyrosine,bmse000051,6,60.0412,5.12
11763,L_tyrosine,bmse000051,7,41.8233,4.45
11764,L_valine,bmse000052,1,63.0706,10.1
11765,L_valine,bmse000052,2,31.7958,11.73
11766,L_valine,bmse000052,3,20.6547,12.29
11767,L_valine,bmse000052,4,19.3267,12.5
11768,D_mannitol,bmse000099,1,73.4901,12.5
11769,D_mannitol,bmse000099,2,71.9258,8.62
11770,D_mannitol,bmse000099,3,65.9197,11.81
11771,meso_erythritol,bmse000100,1,74.6159,12.5
11772,meso_erythritol,bmse000100,2,65.309,8.37
11773,methyl_oxobutanoic_acid,bmse000101,1,39.7045,5.48
11774,methyl_oxobutanoic_acid,bmse000101,2,19.0607,12.5
11775,muco_inositol,bmse000102,1,75.0137,6.8
11776,muco_inositol,bmse000102,2,72.8728,12.5
11777,myo_inositol,bmse000103,1,77.0519,5.9
11778,myo_inositol,bmse000103,2,75.1054,12.5
11779,myo_inositol,bmse000103,3,74.8867,4.4
11780,myo_inositol,bmse000103,4,73.8316,10.8
11781,NAD,bmse000053,1,167.8653,3.69
11782,NAD,bmse000053,2,158.0181,4.21
11783,NAD,bmse000053,3,155.468,8.5
11784,NAD,bmse000053,4,151.5966,5.8
11785,NAD,bmse000053,5,148.4441,6.77
11786,NAD,bmse000053,6,145.0618,5.64
11787,NAD,bmse000053,7,142.6338,5.11
11788,NAD,bmse000053,8,142.3914,7.13
11789,NAD,bmse000053,9,136.3277,6.28
11790,NAD,bmse000053,10,131.3233,7.72
11791,NAD,bmse000053,11,121.0165,3.15
11792,NAD,bmse000053,12,102.7367,9.04
11793,NAD,bmse000053,13,89.7361,5.45
11794,NAD,bmse000053,14,89.6488,5.15
11797,NAD,bmse000053,17,86.4979,5.24
11798,NAD,bmse000053,18,80.3065,12.5
11799,NAD,bmse000053,19,76.6526,12.24
11800,NAD,bmse000053,20,73.2929,11.75
11801,NAD,bmse000053,21,73.0829,11.48
11802,NAD,bmse000053,22,68.1579,4.36
11803,NAD,bmse000053,23,68.1059,4.27
11804,NAD,bmse000053,24,67.6491,4.7
11805,NAD,bmse000053,25,67.5973,4.24
11806,NADH,bmse000054,1,175.3474,5.48
11807,NADH,bmse000054,2,158.1968,4.24
11808,NADH,bmse000054,3,155.4171,8.83
11809,NADH,bmse000054,4,151.5844,5.71
11810,NADH,bmse000054,5,142.3515,6.8
11811,NADH,bmse000054,6,141.1257,9.71
11812,NADH,bmse000054,7,126.4094,7.79
11813,NADH,bmse000054,8,121.2963,4.16
11814,NADH,bmse000054,9,108.0387,9.52
11815,NADH,bmse000054,10,102.5371,7.01
11816,NADH,bmse000054,11,97.7448,9.22
11817,NADH,bmse000054,12,89.7936,11.06
11818,NADH,bmse000054,13,86.3582,5.51
11819,NADH,bmse000054,14,85.0981,5.6
11820,NADH,bmse000054,15,77.2518,12.23
11821,NADH,bmse000054,16,73.4643,12.14
11822,NADH,bmse000054,17,73.2824,12.5
11823,NADH,bmse000054,18,72.9239,9.04
11824,NADH,bmse000054,19,68.6321,4.65
11825,NADH,bmse000054,20,67.8556,4.52
11826,NADH,bmse000054,21,24.5551,8.23
11827,NADH,bmse000054,22,19.5029,3.45
11828,NADPH,bmse000055,1,175.4549,3.91
11829,NADPH,bmse000055,2,158.2562,4.4
11830,NADPH,bmse000055,3,155.3726,8.4
11831,NADPH,bmse000055,4,151.6612,4.78
11832,NADPH,bmse000055,5,142.7666,6.52
11833,NADPH,bmse000055,6,141.0746,8.37
11834,NADPH,bmse000055,7,126.4637,8.6
11835,NADPH,bmse000055,8,108.0154,8.41
11836,NADPH,bmse000055,9,102.5834,6.37
11837,NADPH,bmse000055,10,97.6847,9.4
11838,NADPH,bmse000055,11,89.5671,4.71
11839,NADPH,bmse000055,12,89.4832,4.7
11840,NADPH,bmse000055,13,85.6232,4.52
11841,NADPH,bmse000055,14,85.136,4.45
11842,NADPH,bmse000055,15,79.2632,4.94
11843,NADPH,bmse000055,16,73.4756,12.5
11844,NADPH,bmse000055,17,73.324,11.5
11845,NADPH,bmse000055,18,72.7309,8.21
11846,NADPH,bmse000055,19,68.5416,4.39
11847,NADPH,bmse000055,20,67.9571,5.25
11848,NADPH,bmse000055,21,24.6213,6.74
11849,niacin,bmse000104,1,176.0593,0.88
11850,niacin,bmse000104,2,153.1473,12.5
11851,niacin,bmse000104,3,151.7346,9.43
11852,niacin,bmse000104,4,140.3918,11.16
11853,niacin,bmse000104,5,135.0395,2.37
11854,niacin,bmse000104,6,126.6461,10.94
11855,nicotine,bmse000105,1,152.9553,11.86
11856,nicotine,bmse000105,2,151.8079,8.39
11857,nicotine,bmse000105,3,139.9786,11.24
11858,nicotine,bmse000105,4,132.2848,2.82
11859,nicotine,bmse000105,5,127.6138,11.08
11860,nicotine,bmse000105,6,72.3903,8.23
11861,nicotine,bmse000105,7,58.7754,9.8
11862,nicotine,bmse000105,8,40.9138,11.41
11863,nicotine,bmse000105,9,33.0757,8.96
11864,nicotine,bmse000105,10,24.2203,12.5
11865,N_acetylneuraminic_acid,bmse000057,1,179.4931,2.99
11866,N_acetylneuraminic_acid,bmse000057,2,177.4691,5.36
11867,N_acetylneuraminic_acid,bmse000057,3,99.1066,6.81
11868,N_acetylneuraminic_acid,bmse000057,4,73.0136,10.35
11869,N_acetylneuraminic_acid,bmse000057,5,72.9084,11.02
11870,N_acetylneuraminic_acid,bmse000057,6,71.2583,9.48
11871,N_acetylneuraminic_acid,bmse000057,7,70.0063,10.08
11872,N_acetylneuraminic_acid,bmse000057,8,66.0063,10.13
11873,N_acetylneuraminic_acid,bmse000057,9,54.9693,12.5
11874,N_acetylneuraminic_acid,bmse000057,10,42.0905,8.84
11875,N_acetylneuraminic_acid,bmse000057,11,24.8195,11.34
11876,N_acetyl_D_mannosamine,bmse000056,1,178.4248,1.93
11877,N_acetyl_D_mannosamine,bmse000056,2,177.4968,2.6
11878,N_acetyl_D_mannosamine,bmse000056,3,95.8209,8.31
11879,N_acetyl_D_mannosamine,bmse000056,4,95.688,9.13
11880,N_acetyl_D_mannosamine,bmse000056,5,79.0399,10.23
11881,N_acetyl_D_mannosamine,bmse000056,6,74.7525,9.08
11882,N_acetyl_D_mannosamine,bmse000056,7,74.6939,8.91
11883,N_acetyl_D_mannosamine,bmse000056,8,71.5593,11.26
11884,N_acetyl_D_mannosamine,bmse000056,9,69.4618,11.11
11885,N_acetyl_D_mannosamine,bmse000056,10,69.1894,8.23
11886,N_acetyl_D_mannosamine,bmse000056,11,63.0714,12.5
11887,N_acetyl_D_mannosamine,bmse000056,12,56.7834,6.76
11888,N_acetyl_D_mannosamine,bmse000056,13,55.9143,11.74
11889,N_acetyl_D_mannosamine,bmse000056,14,24.7467,6.42
11890,N_acetyl_D_mannosamine,bmse000056,15,24.6103,7.83
11891,oxalate,bmse000106,1,176.1386,12.5
11892,O_succinyl_L_homoserine,bmse000058,1,183.8863,2.56
11893,O_succinyl_L_homoserine,bmse000058,2,178.3647,2.14
11894,O_succinyl_L_homoserine,bmse000058,3,176.7702,2.64
11895,O_succinyl_L_homoserine,bmse000058,4,64.4599,9.53
11896,O_succinyl_L_homoserine,bmse000058,5,55.5165,8.79
11897,O_succinyl_L_homoserine,bmse000058,6,35.6935,1.47
11898,O_succinyl_L_homoserine,bmse000058,7,34.6435,11.39
11899,O_succinyl_L_homoserine,bmse000058,8,33.1998,12.5
11900,O_succinyl_L_homoserine,bmse000058,9,32.0477,7.9
11901,phosphoenolpyruvic_acid,bmse000107,1,152.4983,4.37
11902,phosphoenolpyruvic_acid,bmse000107,2,152.4267,2.42
11903,phosphoenolpyruvic_acid,bmse000107,3,102.8677,10.91
11904,phosphoenolpyruvic_acid,bmse000107,4,102.8401,12.5
11905,prephenic_acid,bmse000108,1,134.012,12.19
11906,prephenic_acid,bmse000108,2,130.3553,12.5
11907,prephenic_acid,bmse000108,3,64.0727,7.77
11908,prephenic_acid,bmse000108,4,51.2462,2.5
11909,prephenic_acid,bmse000108,5,50.6545,5.86
11910,putrescine,bmse000109,1,41.551,11.73
11911,putrescine,bmse000109,2,26.5984,12.5
11912,pyridoxal,bmse000110,1,161.5671,1.78
11913,pyridoxal,bmse000110,2,148.0785,2.3
11914,pyridoxal,bmse000110,3,140.9568,3.28
11915,pyridoxal,bmse000110,4,139.5279,4.52
11916,pyridoxal,bmse000110,5,120.0727,6.07
11917,pyridoxal,bmse000110,6,102.0212,10.48
11918,pyridoxal,bmse000110,7,72.5072,12.5
11919,pyridoxal,bmse000110,8,17.5108,7.09
11920,pyridoxal_5_phosphate,bmse000111,1,198.7901,4.06
11921,pyridoxal_5_phosphate,bmse000111,2,154.2739,7.56
11922,pyridoxal_5_phosphate,bmse000111,3,139.0553,2.73
11923,pyridoxal_5_phosphate,bmse000111,4,138.9802,2.7
11924,pyridoxal_5_phosphate,bmse000111,5,128.8539,3.48
11925,pyridoxal_5_phosphate,bmse000111,6,126.7748,3.24
11926,pyridoxal_5_phosphate,bmse000111,7,91.4524,2.95
11927,pyridoxal_5_phosphate,bmse000111,8,64.4322,9.86
11928,pyridoxal_5_phosphate,bmse000111,9,64.3954,7.79
11929,pyridoxal_5_phosphate,bmse000111,10,18.7125,12.5
11930,pyridoxal_5_phosphate,bmse000111,11,17.3618,2.26
11931,pyridoxamine,bmse000130,1,165.5851,1.63
11932,pyridoxamine,bmse000130,2,148.1236,2.38
11933,pyridoxamine,bmse000130,3,138.2661,5.06
11934,pyridoxamine,bmse000130,4,134.7636,2.63
11935,pyridoxamine,bmse000130,5,126.6506,8.52
11936,pyridoxamine,bmse000130,6,61.8257,9.73
11937,pyridoxamine,bmse000130,7,39.2287,12.5
11938,pyridoxamine,bmse000130,8,18.1093,10.27
11939,pyridoxamine_5_phosphate,bmse000131,1,165.6996,3.42
11940,pyridoxamine_5_phosphate,bmse000131,2,147.3396,4.49
11941,pyridoxamine_5_phosphate,bmse000131,3,137.5932,4.37
11942,pyridoxamine_5_phosphate,bmse000131,4,137.5201,3.66
11943,pyridoxamine_5_phosphate,bmse000131,5,135.8735,6.9
11944,pyridoxamine_5_phosphate,bmse000131,6,125.9833,8.38
11945,pyridoxamine_5_phosphate,bmse000131,7,64.3374,8.14
11946,pyridoxamine_5_phosphate,bmse000131,8,64.2962,7.45
11947,pyridoxamine_5_phosphate,bmse000131,9,38.955,12.5
11948,pyridoxamine_5_phosphate,bmse000131,10,17.7372,11.91
11949,scyllo_inositol,bmse000113,1,76.2821,12.5
11950,shikimic_acid,bmse000114,1,178.0757,1.84
11951,shikimic_acid,bmse000114,2,138.7121,3.69
11952,shikimic_acid,bmse000114,3,133.2065,8.63
11953,shikimic_acid,bmse000114,4,74.7462,8.91
11954,shikimic_acid,bmse000114,5,69.5201,11.73
11955,shikimic_acid,bmse000114,6,68.9871,12.5
11956,shikimic_acid,bmse000114,7,35.3685,8.86
11957,D_sorbitol,bmse000115,1,75.6364,11.8
11958,D_sorbitol,bmse000115,2,73.7844,11.91
11959,D_sorbitol,bmse000115,3,73.6628,11.46
11960,D_sorbitol,bmse000115,4,72.3478,12.5
11961,D_sorbitol,bmse000115,5,65.5074,7.86
11962,D_sorbitol,bmse000115,6,65.1126,9.65
11963,spermidine,bmse000116,1,49.7685,12.5
11964,spermidine,bmse000116,2,47.255,9.6
11965,spermidine,bmse000116,3,41.5152,10.94
11966,spermidine,bmse000116,4,39.2998,10.61
11967,spermidine,bmse000116,5,26.64,10.09
11968,spermidine,bmse000116,6,26.5227,9.51
11969,spermidine,bmse000116,7,25.4882,11.59
11970,spermine,bmse000117,1,50.4642,10.16
11971,spermine,bmse000117,2,48.3361,12.5
11972,spermine,bmse000117,3,40.6981,12.1
11973,spermine,bmse000117,4,30.823,7.1
11974,spermine,bmse000117,5,27.6835,10.97
11975,succinic_acid,bmse000118,1,185.1648,1.78
11976,succinic_acid,bmse000118,2,36.8897,12.5
11977,sucrose,bmse000119,1,106.3887,6.15
11978,sucrose,bmse000119,2,94.8829,11.39
11979,sucrose,bmse000119,3,84.0666,11.94
11980,sucrose,bmse000119,4,79.0967,11.54
11981,sucrose,bmse000119,5,76.6892,12.13
11982,sucrose,bmse000119,6,75.2562,11.56
11983,sucrose,bmse000119,7,75.107,12.4
11984,sucrose,bmse000119,8,73.7694,11.94
11985,sucrose,bmse000119,9,71.9114,12.5
11986,sucrose,bmse000119,10,65.0741,11.11
11987,sucrose,bmse000119,11,64.0305,10.38
11988,sucrose,bmse000119,12,62.8059,9.96
11989,S_adenosyl_L_methionine,bmse000059,1,177.2049,1.06
11990,S_adenosyl_L_methionine,bmse000059,2,175.5374,3.57
11991,S_adenosyl_L_methionine,bmse000059,3,158.2573,4.07
11992,S_adenosyl_L_methionine,bmse000059,4,158.1473,1.23
11993,S_adenosyl_L_methionine,bmse000059,5,155.5574,8.68
11994,S_adenosyl_L_methionine,bmse000059,6,155.4871,3.71
11995,S_adenosyl_L_methionine,bmse000059,7,154.9459,1.28
11996,S_adenosyl_L_methionine,bmse000059,8,151.4918,1.4
11997,S_adenosyl_L_methionine,bmse000059,9,151.3094,4.84
11998,S_adenosyl_L_methionine,bmse000059,10,143.3489,7.53
11999,S_adenosyl_L_methionine,bmse000059,11,142.6447,2.96
12000,S_adenosyl_L_methionine,bmse000059,12,121.7408,3.05
12001,S_adenosyl_L_methionine,bmse000059,13,91.8,12.5
12002,S_adenosyl_L_methionine,bmse000059,14,90.1262,1.08
12003,S_adenosyl_L_methionine,bmse000059,15,90.0407,3.67
12004,S_adenosyl_L_methionine,bmse000059,16,85.9474,3.7
12005,S_adenosyl_L_methionine,bmse000059,17,81.4782,2.83
12006,S_adenosyl_L_methionine,bmse000059,18,80.8642,9.06
12007,S_adenosyl_L_methionine,bmse000059,19,76.1774,4.19
12008,S_adenosyl_L_methionine,bmse000059,20,75.6933,3.46
12009,S_adenosyl_L_methionine,bmse000059,21,75.4417,10.55
12010,S_adenosyl_L_methionine,bmse000059,22,75.2896,11.21
12011,S_adenosyl_L_methionine,bmse000059,23,75.2102,3.9
12012,S_adenosyl_L_methionine,bmse000059,24,75.0576,4.66
12013,S_adenosyl_L_methionine,bmse000059,25,61.3914,4.52
12014,S_adenosyl_L_methionine,bmse000059,26,60.181,3.6
12015,S_adenosyl_L_methionine,bmse000059,27,56.1328,4.11
12016,S_adenosyl_L_methionine,bmse000059,28,55.5398,11.64
12017,S_adenosyl_L_methionine,bmse000059,29,55.4732,3.85
12018,S_adenosyl_L_methionine,bmse000059,30,51.6245,1.02
12019,S_adenosyl_L_methionine,bmse000059,31,47.0027,7.3
12020,S_adenosyl_L_methionine,bmse000059,32,41.6503,2.53
12021,S_adenosyl_L_methionine,bmse000059,33,41.5608,8
12022,S_adenosyl_L_methionine,bmse000059,34,39.296,1.04
12023,S_adenosyl_L_methionine,bmse000059,35,38.5747,3.27
12024,S_adenosyl_L_methionine,bmse000059,36,34.9032,4.07
12025,S_adenosyl_L_methionine,bmse000059,37,28.138,8.12
12026,S_adenosyl_L_methionine,bmse000059,38,27.9802,2.58
12027,S_adenosyl_L_methionine,bmse000059,39,26.5384,1.05
12028,S_adenosyl_L_methionine,bmse000059,40,26.4688,3.89
12029,S_adenosyl_L_methionine,bmse000059,41,26.1398,11.37
12030,S_adenosyl_L_methionine,bmse000059,42,19.5416,3.82
12031,S_adenosyl_L_methionine,bmse000059,43,18.0425,2.93
12032,taurine,bmse000120,1,50.2124,12.5
12033,taurine,bmse000120,2,38.0682,11.7
12034,L_threitol,bmse000121,1,74.3047,12.5
12035,L_threitol,bmse000121,2,65.3263,12.42
12036,trans_4_hydroxy_L_proline,bmse000123,1,177.0263,1.29
12037,trans_4_hydroxy_L_proline,bmse000123,2,72.7686,12.34
12038,trans_4_hydroxy_L_proline,bmse000123,3,62.5265,8.41
12039,trans_4_hydroxy_L_proline,bmse000123,4,55.643,12.5
12040,trans_4_hydroxy_L_proline,bmse000123,5,40.1298,9.82
12041,trans_cinnamic_acid,bmse000124,1,143.5556,4.31
12042,trans_cinnamic_acid,bmse000124,2,137.8775,1.34
12043,trans_cinnamic_acid,bmse000124,3,132.3324,6.15
12044,trans_cinnamic_acid,bmse000124,4,131.6902,9.94
12045,trans_cinnamic_acid,bmse000124,5,130.4135,12.5
12046,trans_cinnamic_acid,bmse000124,6,126.8267,3.92
12047,D_trehalose,bmse000125,1,95.9171,12.5
12048,D_trehalose,bmse000125,2,75.2081,11.88
12049,D_trehalose,bmse000125,3,74.8491,10.1
12050,D_trehalose,bmse000125,4,73.7422,9.97
12051,D_trehalose,bmse000125,5,72.3894,11.58
12052,D_trehalose,bmse000125,6,63.2132,8.55
12053,uric_acid,bmse000126,1,167.6653,6.04
12054,uric_acid,bmse000126,2,165.3393,12.5
12055,uric_acid,bmse000126,3,162.2146,6.72
12056,uric_acid,bmse000126,4,156.4958,8.87
12057,uric_acid,bmse000126,5,104.5779,6.55
12058,xanthine,bmse000127,1,163.3303,1.9
12059,xanthine,bmse000127,2,161.9958,1.23
12060,xanthine,bmse000127,3,158.0123,1.54
12061,xanthine,bmse000127,4,142.7225,12.5
12062,xanthine,bmse000127,5,116.2503,1.15
12063,xanthosine,bmse000128,1,163.7475,1.41
12064,xanthosine,bmse000128,2,162.2764,1.3
12065,xanthosine,bmse000128,3,155.8547,2.56
12066,xanthosine,bmse000128,4,140.0607,9.27
12067,xanthosine,bmse000128,5,118.2068,1.28
12068,xanthosine,bmse000128,6,90.6608,11.73
12069,xanthosine,bmse000128,7,88.5324,12.41
12070,xanthosine,bmse000128,8,75.9737,12.5
12071,xanthosine,bmse000128,9,73.5577,11.03
12072,xanthosine,bmse000128,10,64.3556,8.81
12073,xylitol,bmse000129,1,74.6275,11.33
12074,xylitol,bmse000129,2,73.4743,6.7
12075,xylitol,bmse000129,3,65.3143,12.5
12076,tyramine,bmse000243,1,157.2984,1.41
12077,tyramine,bmse000243,2,132.9956,12.5
12078,tyramine,bmse000243,3,131.1649,2.03
12079,tyramine,bmse000243,4,118.5125,12.18
12080,tyramine,bmse000243,5,43.4518,5.34
12081,tyramine,bmse000243,6,34.6329,6.06
12082,L_carnosine,bmse000246,1,180.2008,3.84
12083,L_carnosine,bmse000246,2,174.3323,4.86
12084,L_carnosine,bmse000246,3,137.5197,9.53
12085,L_carnosine,bmse000246,4,134.6631,4.69
12086,L_carnosine,bmse000246,5,119.8491,10.48
12087,L_carnosine,bmse000246,6,57.5784,11.65
12088,L_carnosine,bmse000246,7,38.3703,11.44
12089,L_carnosine,bmse000246,8,34.7671,12.5
12090,L_carnosine,bmse000246,9,30.9947,9.98
12091,glycolate,bmse000245,1,182.6562,5.25
12092,glycolate,bmse000245,2,63.9098,12.5
12093,1_3_dimethylurea,bmse000248,1,29.1399,12.5
12094,D_glucosamine,bmse000247,1,96.7337,8.51
12095,D_glucosamine,bmse000247,2,92.4167,12.41
12096,D_glucosamine,bmse000247,3,78.843,9.89
12097,D_glucosamine,bmse000247,4,75.8685,8.3
12098,D_glucosamine,bmse000247,5,74.3489,12.5
12099,D_glucosamine,bmse000247,6,72.9419,11.22
12100,D_glucosamine,bmse000247,7,72.4037,9.8
12101,D_glucosamine,bmse000247,8,72.3301,12.04
12102,D_glucosamine,bmse000247,9,63.2894,7.62
12103,D_glucosamine,bmse000247,10,63.0782,11.08
12104,D_glucosamine,bmse000247,11,59.6847,8.44
12105,D_glucosamine,bmse000247,12,57.1428,11.73
12106,isethionic_acid,bmse000242,1,59.6397,12.02
12107,isethionic_acid,bmse000242,2,55.5295,12.5
12108,N_N_dimethylglycine,bmse000241,1,62.5717,6.55
12109,N_N_dimethylglycine,bmse000241,2,46.2286,12.5
12110,dihydroxyacetone,bmse000144,1,214.7833,3.78
12111,dihydroxyacetone,bmse000144,2,97.773,1.6
12112,dihydroxyacetone,bmse000144,3,66.2429,12.5
12113,N_acetyl_L_glutamine,bmse000145,1,181.3622,2.37
12114,N_acetyl_L_glutamine,bmse000145,2,181.1277,3.44
12115,N_acetyl_L_glutamine,bmse000145,3,176.3862,3.32
12116,N_acetyl_L_glutamine,bmse000145,4,57.3658,12.5
12117,N_acetyl_L_glutamine,bmse000145,5,34.4405,9.75
12118,N_acetyl_L_glutamine,bmse000145,6,30.4549,10.18
12119,N_acetyl_L_glutamine,bmse000145,7,24.6247,9.17
12120,ADA,bmse000146,1,180.0279,1.66
12121,ADA,bmse000146,2,60.0622,12.5
12122,ADA,bmse000146,3,59.955,1.44
12123,4_aminoantipyrine,bmse000147,1,144.7673,1.72
12124,4_aminoantipyrine,bmse000147,2,135.763,1.74
12125,4_aminoantipyrine,bmse000147,3,132.3952,12.5
12126,4_aminoantipyrine,bmse000147,4,131.8174,5.85
12127,4_aminoantipyrine,bmse000147,5,129.3212,12.35
12128,4_aminoantipyrine,bmse000147,6,37.2322,4.81
12129,4_aminoantipyrine,bmse000147,7,11.7408,4.42
12130,acetylcarnitine,bmse000142,1,179.354,4.03
12131,acetylcarnitine,bmse000142,2,175.4615,4.06
12132,acetylcarnitine,bmse000142,3,70.835,4.53
12133,acetylcarnitine,bmse000142,4,69.5734,12.5
12134,acetylcarnitine,bmse000142,5,56.5103,12.2
12135,acetylcarnitine,bmse000142,6,42.9071,9.73
12136,acetylcarnitine,bmse000142,7,23.3168,9.11
12137,5_acetylamido_2_chloroaniline,bmse000143,1,139.2064,3.06
12138,5_acetylamido_2_chloroaniline,bmse000143,2,132.3826,12.5
12139,5_acetylamido_2_chloroaniline,bmse000143,3,116.2078,11.5
12140,5_acetylamido_2_chloroaniline,bmse000143,4,112.9825,11.85
12141,5_acetylamido_2_chloroaniline,bmse000143,5,25.522,8.76
12142,uracil,bmse000187,1,170.2202,1.35
12143,uracil,bmse000187,2,146.2032,10.52
12144,uracil,bmse000187,3,103.7407,12.5
12145,cytidine,bmse000190,1,168.8862,2.92
12146,cytidine,bmse000190,2,160.3399,2.39
12147,cytidine,bmse000190,3,144.3268,8.93
12148,cytidine,bmse000190,4,98.9421,9.02
12149,cytidine,bmse000190,5,92.9764,11.59
12150,cytidine,bmse000190,6,86.4726,11.93
12151,cytidine,bmse000190,7,76.6665,12.26
12152,cytidine,bmse000190,8,71.9801,12.5
12153,cytidine,bmse000190,9,63.4255,9.89
12154,propionic_acid,bmse000179,1,187.7472,2.27
12155,propionic_acid,bmse000179,2,33.4143,12.5
12156,propionic_acid,bmse000179,3,12.8911,11.53
12157,cytosine,bmse000180,1,170.1095,1.09
12158,cytosine,bmse000180,2,145.8461,10.28
12159,cytosine,bmse000180,3,97.8181,12.5
12160,3_hydroxybutyrate,bmse000161,1,183.1934,2.18
12161,3_hydroxybutyrate,bmse000161,2,68.3994,9.53
12162,3_hydroxybutyrate,bmse000161,3,49.2195,12.5
12163,3_hydroxybutyrate,bmse000161,4,24.4317,11.28
12164,sarcosine,bmse000160,1,174.1787,1.69
12165,sarcosine,bmse000160,2,53.5151,12.5
12166,sarcosine,bmse000160,3,35.3495,10.56
12167,beta_alanine,bmse000159,1,181.1398,1.61
12168,beta_alanine,bmse000159,2,39.2339,9.51
12169,beta_alanine,bmse000159,3,36.2855,12.5
12170,uridine,bmse000158,1,169.0394,2.54
12171,uridine,bmse000158,2,154.4569,2.08
12172,uridine,bmse000158,3,144.529,8.58
12173,uridine,bmse000158,4,104.9743,9.81
12174,uridine,bmse000158,5,92.0363,11.1
12175,uridine,bmse000158,6,86.9005,11.88
12176,uridine,bmse000158,7,76.3651,11.81
12177,uridine,bmse000158,8,72.0985,12.5
12178,uridine,bmse000158,9,63.4211,9.74
12179,N_acetyl_L_alanine,bmse000157,1,183.142,2.18
12180,N_acetyl_L_alanine,bmse000157,2,176.0277,2.41
12181,N_acetyl_L_alanine,bmse000157,3,53.6895,12.5
12182,N_acetyl_L_alanine,bmse000157,4,24.5618,8.98
12183,N_acetyl_L_alanine,bmse000157,5,20.0042,11.11
12184,trimethyl_phosphonoacetate,bmse000156,1,56.6257,8.02
12185,trimethyl_phosphonoacetate,bmse000156,2,56.5607,8.02
12186,trimethyl_phosphonoacetate,bmse000156,3,55.9903,12.5
12187,creatinine,bmse000155,1,191.713,2.26
12188,creatinine,bmse000155,2,59.1239,12.5
12189,creatinine,bmse000155,3,58.8527,2.53
12190,creatinine,bmse000155,4,58.6295,1.96
12191,creatinine,bmse000155,5,32.9001,9.73
12192,4_2_aminoethyl_morpholine,bmse000154,1,68.8872,12.21
12193,4_2_aminoethyl_morpholine,bmse000154,2,56.9694,6.45
12194,4_2_aminoethyl_morpholine,bmse000154,3,55.1945,12.5
12195,4_2_aminoethyl_morpholine,bmse000154,4,38.3707,5.31
12196,L_methionine_methylsulfonium_iodide,bmse000153,1,176.1278,2.46
12197,L_methionine_methylsulfonium_iodide,bmse000153,2,55.6328,12.37
12198,L_methionine_methylsulfonium_iodide,bmse000153,3,42.2714,10.53
12199,L_methionine_methylsulfonium_iodide,bmse000153,4,28.1127,10.06
12200,L_methionine_methylsulfonium_iodide,bmse000153,5,27.4753,11.87
12201,L_methionine_methylsulfonium_iodide,bmse000153,6,27.4428,12.5
12202,trigonelline,bmse000152,1,170.5429,1.63
12203,trigonelline,bmse000152,2,148.7294,3.53
12204,trigonelline,bmse000152,3,148.5432,3.12
12205,trigonelline,bmse000152,4,147.4509,9.81
12206,trigonelline,bmse000152,5,139.591,3.58
12207,trigonelline,bmse000152,6,130.3808,12.5
12208,trigonelline,bmse000152,7,50.9868,3.8
12209,L_kynurenine,bmse000172,1,202.7838,4.18
12210,L_kynurenine,bmse000172,2,176.9655,3.82
12211,L_kynurenine,bmse000172,3,153.0281,3.8
12212,L_kynurenine,bmse000172,4,138.3201,10.63
12213,L_kynurenine,bmse000172,5,134.0077,10.47
12214,L_kynurenine,bmse000172,6,120.7487,12.5
12215,L_kynurenine,bmse000172,7,120.1347,3.19
12216,L_kynurenine,bmse000172,8,119.5469,11.71
12217,L_kynurenine,bmse000172,9,53.4373,9.6
12218,L_kynurenine,bmse000172,10,53.3893,1.75
12219,L_kynurenine,bmse000172,11,41.6724,9.4
12220,4_hydroxyphenethyl_alcohol,bmse000173,1,156.5231,1.3
12221,4_hydroxyphenethyl_alcohol,bmse000173,2,133.6531,2.03
12222,4_hydroxyphenethyl_alcohol,bmse000173,3,133.0108,12.05
12223,4_hydroxyphenethyl_alcohol,bmse000173,4,118.0973,12.5
12224,4_hydroxyphenethyl_alcohol,bmse000173,5,65.4628,5.4
12225,4_hydroxyphenethyl_alcohol,bmse000173,6,39.6054,5.27
12226,L_glutathione_oxidized,bmse000170,1,179.0431,5.08
12227,L_glutathione_oxidized,bmse000170,2,177.7295,7.27
12228,L_glutathione_oxidized,bmse000170,3,176.8436,5.71
12229,L_glutathione_oxidized,bmse000170,4,174.576,7.14
12230,L_glutathione_oxidized,bmse000170,5,56.7983,12.5
12231,L_glutathione_oxidized,bmse000170,6,55.2962,6.93
12232,L_glutathione_oxidized,bmse000170,7,46.1769,10
12233,L_glutathione_oxidized,bmse000170,8,41.3939,5.3
12234,L_glutathione_oxidized,bmse000170,9,34.0976,8.71
12235,L_glutathione_oxidized,bmse000170,10,28.9834,9.22
12236,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,1,137.9087,2.24
12237,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,2,137.8673,2.37
12238,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,3,131.376,12.5
12239,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,4,131.3613,12.49
12240,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,5,130.699,5.71
12241,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,6,130.6797,5.71
12242,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,7,130.3647,10.88
12243,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,8,130.3201,11.19
12244,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,9,58.3213,5.52
12245,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,10,57.0571,5.41
12246,2_amino_5_ethyl_1_3_4_thiadiazole,bmse000176,1,168.4472,1.23
12247,2_amino_5_ethyl_1_3_4_thiadiazole,bmse000176,2,25.8692,12.5
12248,2_amino_5_ethyl_1_3_4_thiadiazole,bmse000176,3,15.8228,11.49
12249,indole_3_acetic_acid,bmse000177,1,184.4014,2.14
12250,indole_3_acetic_acid,bmse000177,2,138.8639,1.78
12251,indole_3_acetic_acid,bmse000177,3,129.8341,1.84
12252,indole_3_acetic_acid,bmse000177,4,126.7302,9.37
12253,indole_3_acetic_acid,bmse000177,5,124.4124,12.5
12254,indole_3_acetic_acid,bmse000177,6,121.7961,11.6
12255,indole_3_acetic_acid,bmse000177,7,121.3961,11.96
12256,indole_3_acetic_acid,bmse000177,8,114.4077,11.75
12257,indole_3_acetic_acid,bmse000177,9,113.0393,2.26
12258,indole_3_acetic_acid,bmse000177,10,36.6627,11.8
12259,5_acetylamino_2_nitrobenzoic_acid,bmse000174,1,177.1121,2.86
12260,5_acetylamino_2_nitrobenzoic_acid,bmse000174,2,175.8429,2.97
12261,5_acetylamino_2_nitrobenzoic_acid,bmse000174,3,146.1205,4.91
12262,5_acetylamino_2_nitrobenzoic_acid,bmse000174,4,142.1751,2.25
12263,5_acetylamino_2_nitrobenzoic_acid,bmse000174,5,140.3992,5.19
12264,5_acetylamino_2_nitrobenzoic_acid,bmse000174,6,135.1671,1.17
12265,5_acetylamino_2_nitrobenzoic_acid,bmse000174,7,128.5755,12.5
12266,5_acetylamino_2_nitrobenzoic_acid,bmse000174,8,122.2003,7.85
12267,5_acetylamino_2_nitrobenzoic_acid,bmse000174,9,120.5307,8.5
12268,5_acetylamino_2_nitrobenzoic_acid,bmse000174,10,26.0734,7.9
12269,inosine_5_monophosphate,bmse000175,1,161.425,3.75
12270,inosine_5_monophosphate,bmse000175,2,151.4802,4.81
12271,inosine_5_monophosphate,bmse000175,3,149.0993,9.26
12272,inosine_5_monophosphate,bmse000175,4,142.6513,8.28
12273,inosine_5_monophosphate,bmse000175,5,126.224,3.55
12274,inosine_5_monophosphate,bmse000175,6,90.0513,11.57
12275,inosine_5_monophosphate,bmse000175,7,87.5897,6.17
12276,inosine_5_monophosphate,bmse000175,8,87.5029,6.25
12277,inosine_5_monophosphate,bmse000175,9,77.4723,12.43
12278,inosine_5_monophosphate,bmse000175,10,73.3415,12.5
12279,inosine_5_monophosphate,bmse000175,11,66.1817,4.69
12280,inosine_5_monophosphate,bmse000175,12,66.1371,4.9
12281,acetylcholine,bmse000168,1,175.9351,1.7
12282,acetylcholine,bmse000168,2,67.2352,3.17
12283,acetylcholine,bmse000168,3,67.2022,3.69
12284,acetylcholine,bmse000168,4,67.1693,3.21
12285,acetylcholine,bmse000168,5,61.0489,9.91
12286,acetylcholine,bmse000168,6,56.5037,10.75
12287,acetylcholine,bmse000168,7,56.4653,12.5
12288,acetylcholine,bmse000168,8,56.4269,11.09
12289,acetylcholine,bmse000168,9,22.907,5.01
12290,L_selenomethionine,bmse000169,1,177.0007,2.6
12291,L_selenomethionine,bmse000169,2,57.4374,11.47
12292,L_selenomethionine,bmse000169,3,33.6291,11.68
12293,L_selenomethionine,bmse000169,4,21.9577,12.5
12294,L_selenomethionine,bmse000169,5,5.9908,6.84
12295,L_carnitine,bmse000211,1,180.7932,2.55
12296,L_carnitine,bmse000211,2,72.8484,3.55
12297,L_carnitine,bmse000211,3,72.8194,4.35
12298,L_carnitine,bmse000211,4,72.7905,3.77
12299,L_carnitine,bmse000211,5,66.787,9.83
12300,L_carnitine,bmse000211,6,56.8352,10.16
12301,L_carnitine,bmse000211,7,56.7971,12.5
12302,L_carnitine,bmse000211,8,56.7587,10.72
12303,L_carnitine,bmse000211,9,45.6836,6.68
12304,2_deoxyguanosine_5_triphosphate,bmse000210,1,161.5994,4.1
12305,2_deoxyguanosine_5_triphosphate,bmse000210,2,156.5483,6.62
12306,2_deoxyguanosine_5_triphosphate,bmse000210,3,153.9201,3.76
12307,2_deoxyguanosine_5_triphosphate,bmse000210,4,140.177,4.97
12308,2_deoxyguanosine_5_triphosphate,bmse000210,5,118.7094,3.56
12309,2_deoxyguanosine_5_triphosphate,bmse000210,6,88.3356,4.95
12310,2_deoxyguanosine_5_triphosphate,bmse000210,7,88.2497,5.03
12311,2_deoxyguanosine_5_triphosphate,bmse000210,8,86.1217,10.42
12312,2_deoxyguanosine_5_triphosphate,bmse000210,9,85.9663,1.24
12313,2_deoxyguanosine_5_triphosphate,bmse000210,10,73.5912,12.5
12314,2_deoxyguanosine_5_triphosphate,bmse000210,11,73.4257,1.36
12315,2_deoxyguanosine_5_triphosphate,bmse000210,12,68.0836,4.3
12316,2_deoxyguanosine_5_triphosphate,bmse000210,13,68.0298,4.01
12317,2_deoxyguanosine_5_triphosphate,bmse000210,14,60.1564,2.92
12318,2_deoxyguanosine_5_triphosphate,bmse000210,15,41.4696,9.7
12319,2_deoxyguanosine_5_triphosphate,bmse000210,16,19.5226,3.19
12320,L_glutathione_reduced,bmse000185,1,179.0844,3.34
12321,L_glutathione_reduced,bmse000185,2,177.7381,6.24
12322,L_glutathione_reduced,bmse000185,3,176.8762,4.09
12323,L_glutathione_reduced,bmse000185,4,174.517,4.49
12324,L_glutathione_reduced,bmse000185,5,58.485,9.28
12325,L_glutathione_reduced,bmse000185,6,56.8252,12.5
12326,L_glutathione_reduced,bmse000185,7,46.0594,11.98
12327,L_glutathione_reduced,bmse000185,8,34.0617,10.25
12328,L_glutathione_reduced,bmse000185,9,28.9279,10.05
12329,L_glutathione_reduced,bmse000185,10,28.2991,8.79
12330,L-ascorbate,bmse000182,1,180.3168,1.43
12331,L-ascorbate,bmse000182,2,178.4832,2.74
12332,L-ascorbate,bmse000182,3,115.802,1.21
12333,L-ascorbate,bmse000182,4,81.1004,12.5
12334,L-ascorbate,bmse000182,5,72.2534,11.82
12335,L-ascorbate,bmse000182,6,65.2522,10.99
12336,glycerol,bmse000184,1,74.7687,5.34
12337,glycerol,bmse000184,2,65.1855,12.5
12338,succinic_acid,bmse000183,1,185.1723,12.5
12339,diethyl_oxalacetate,bmse000148,1,175.4103,2.81
12340,diethyl_oxalacetate,bmse000148,2,174.3091,2.64
12341,diethyl_oxalacetate,bmse000148,3,173.4326,3.11
12342,diethyl_oxalacetate,bmse000148,4,168.1048,3.57
12343,diethyl_oxalacetate,bmse000148,5,163.0751,2.84
12344,diethyl_oxalacetate,bmse000148,6,107.9727,2.93
12345,diethyl_oxalacetate,bmse000148,7,66.4032,12.5
12346,diethyl_oxalacetate,bmse000148,8,64.8073,11.65
12347,diethyl_oxalacetate,bmse000148,9,63.2252,12.35
12348,diethyl_oxalacetate,bmse000148,10,60.1425,6.53
12349,diethyl_oxalacetate,bmse000148,11,19.5054,7.69
12350,diethyl_oxalacetate,bmse000148,12,16.4349,10.31
12351,diethyl_oxalacetate,bmse000148,13,16.0264,10.85
12352,diethyl_oxalacetate,bmse000148,14,15.8307,11.05
12353,diethyl_oxalacetate,bmse000148,15,8.3719,1.46
12354,methyl_4_aminobutyrate,bmse000249,1,178.332,2.3
12355,methyl_4_aminobutyrate,bmse000249,2,55.0318,9.91
12356,methyl_4_aminobutyrate,bmse000249,3,41.3931,9.31
12357,methyl_4_aminobutyrate,bmse000249,4,33.2371,12.5
12358,methyl_4_aminobutyrate,bmse000249,5,24.7364,10.01
12359,acetic_acid,bmse000191,1,25.9921,12.5
12360,DL_alpha_glycerol_phosphate,bmse000193,1,74.017,6.6
12361,DL_alpha_glycerol_phosphate,bmse000193,2,73.9509,6.61
12362,DL_alpha_glycerol_phosphate,bmse000193,3,67.5764,6.42
12363,DL_alpha_glycerol_phosphate,bmse000193,4,67.5279,6.33
12364,DL_alpha_glycerol_phosphate,bmse000193,5,64.9909,12.5
12365,L_arginine_L_glutamate,bmse000194,1,184.0271,2.62
12366,L_arginine_L_glutamate,bmse000194,2,177.3004,2.69
12367,L_arginine_L_glutamate,bmse000194,3,177.2486,3.51
12368,L_arginine_L_glutamate,bmse000194,4,159.5217,1.58
12369,L_arginine_L_glutamate,bmse000194,5,57.3276,11.34
12370,L_arginine_L_glutamate,bmse000194,6,56.9877,12.33
12371,L_arginine_L_glutamate,bmse000194,7,43.187,10.69
12372,L_arginine_L_glutamate,bmse000194,8,36.1773,12.5
12373,L_arginine_L_glutamate,bmse000194,9,30.2821,11.31
12374,L_arginine_L_glutamate,bmse000194,10,29.6813,11.66
12375,L_arginine_L_glutamate,bmse000194,11,26.565,9.36
13600,ATP,bmse000006,4,142.6155,7.12
12376,N_alpha_acetyl_DL_ornithine,bmse000195,1,181.278,2.84
12377,N_alpha_acetyl_DL_ornithine,bmse000195,2,176.3942,3.3
12378,N_alpha_acetyl_DL_ornithine,bmse000195,3,57.2647,12.5
12379,N_alpha_acetyl_DL_ornithine,bmse000195,4,41.7026,11.36
12380,N_alpha_acetyl_DL_ornithine,bmse000195,5,31.2562,11.58
12381,N_alpha_acetyl_DL_ornithine,bmse000195,6,26.1175,10.85
12382,N_alpha_acetyl_DL_ornithine,bmse000195,7,24.6039,9.43
12383,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,1,177.1802,4.22
12384,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,2,100.7816,12.14
12385,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,3,74.3693,12.5
12386,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,4,73.8173,11.87
12387,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,5,72.6604,11.86
12388,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,6,63.2442,9.78
12389,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,7,57.84,10.7
12390,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,8,56.3295,11.36
12391,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,9,24.5939,9.03
12392,N_acetyl_D_glucosamine_1_phosphate,bmse000197,1,177.4262,6.89
12393,N_acetyl_D_glucosamine_1_phosphate,bmse000197,2,95.5064,6.59
12394,N_acetyl_D_glucosamine_1_phosphate,bmse000197,3,95.4519,6.61
12395,N_acetyl_D_glucosamine_1_phosphate,bmse000197,4,74.8112,12.48
12396,N_acetyl_D_glucosamine_1_phosphate,bmse000197,5,74.1248,11.53
12397,N_acetyl_D_glucosamine_1_phosphate,bmse000197,6,72.717,12.5
12398,N_acetyl_D_glucosamine_1_phosphate,bmse000197,7,63.3991,10.48
12399,N_acetyl_D_glucosamine_1_phosphate,bmse000197,8,60.1385,1.19
12400,N_acetyl_D_glucosamine_1_phosphate,bmse000197,9,56.8941,6.31
12401,N_acetyl_D_glucosamine_1_phosphate,bmse000197,10,56.82,5.92
12402,N_acetyl_D_glucosamine_1_phosphate,bmse000197,11,24.8547,11.82
12403,N_acetyl_D_glucosamine_1_phosphate,bmse000197,12,19.5064,1.35
12404,6_phosphogluconic_acid,bmse000198,1,181.6058,3.57
12405,6_phosphogluconic_acid,bmse000198,2,76.871,10.24
12406,6_phosphogluconic_acid,bmse000198,3,74.5728,12.34
12407,6_phosphogluconic_acid,bmse000198,4,73.5923,12.5
12408,6_phosphogluconic_acid,bmse000198,5,73.3427,6.13
12409,6_phosphogluconic_acid,bmse000198,6,73.2817,6
12410,6_phosphogluconic_acid,bmse000198,7,67.8378,5.3
12411,6_phosphogluconic_acid,bmse000198,8,67.7897,5.02
12412,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,1,177.4856,7.09
12413,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,2,169.018,6.26
12414,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,3,154.5678,4.71
12415,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,4,144.3458,8.41
12416,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,5,105.3664,9.76
12417,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,6,97.2217,5.52
12418,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,7,97.1586,5.3
12419,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,8,91.2324,10.4
12420,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,9,85.9265,5.45
12421,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,10,85.8356,5.37
12422,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,11,76.5038,12.5
12423,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,12,75.7265,10.47
12424,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,13,73.618,9.4
12425,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,14,72.3363,12.03
12426,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,15,72.1894,10.68
12427,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,16,67.7104,4.06
12428,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,17,67.6547,4.21
12429,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,18,63.011,8.29
12430,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,19,56.4123,4.85
12431,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,20,56.3279,4.86
12432,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,21,24.8017,11.06
12433,D_glucosamine_6_phosphate,bmse000189,1,96.7641,3.96
12434,D_glucosamine_6_phosphate,bmse000189,2,92.5468,9.11
12435,D_glucosamine_6_phosphate,bmse000189,3,78.573,7.72
12436,D_glucosamine_6_phosphate,bmse000189,4,78.5029,8.09
12437,D_glucosamine_6_phosphate,bmse000189,5,75.3,3.82
12438,D_glucosamine_6_phosphate,bmse000189,6,74.241,8.9
12439,D_glucosamine_6_phosphate,bmse000189,7,74.1735,8.79
12440,D_glucosamine_6_phosphate,bmse000189,8,72.61,7.6
12441,D_glucosamine_6_phosphate,bmse000189,9,72.216,8.01
12442,D_glucosamine_6_phosphate,bmse000189,10,72.0861,11.81
12443,D_glucosamine_6_phosphate,bmse000189,11,65.6945,5.67
12444,D_glucosamine_6_phosphate,bmse000189,12,65.5318,8.2
12445,D_glucosamine_6_phosphate,bmse000189,13,59.9922,8.37
12446,D_glucosamine_6_phosphate,bmse000189,14,57.442,12.5
12447,N_acetyl_D_glucosamine_6_phosphate,bmse000205,1,177.6459,3.99
12448,N_acetyl_D_glucosamine_6_phosphate,bmse000205,2,177.3558,6.21
12449,N_acetyl_D_glucosamine_6_phosphate,bmse000205,3,97.9785,9.64
12450,N_acetyl_D_glucosamine_6_phosphate,bmse000205,4,93.8355,12.5
12451,N_acetyl_D_glucosamine_6_phosphate,bmse000205,5,78.3788,4.55
12452,N_acetyl_D_glucosamine_6_phosphate,bmse000205,6,78.3082,5
12453,N_acetyl_D_glucosamine_6_phosphate,bmse000205,7,76.3335,8.77
12454,N_acetyl_D_glucosamine_6_phosphate,bmse000205,8,74.1312,5.77
12455,N_acetyl_D_glucosamine_6_phosphate,bmse000205,9,74.0636,5.71
12456,N_acetyl_D_glucosamine_6_phosphate,bmse000205,10,73.273,9.62
12457,N_acetyl_D_glucosamine_6_phosphate,bmse000205,11,72.5985,6.43
12458,N_acetyl_D_glucosamine_6_phosphate,bmse000205,12,72.4066,4.3
12459,N_acetyl_D_glucosamine_6_phosphate,bmse000205,13,65.8183,6.34
12460,N_acetyl_D_glucosamine_6_phosphate,bmse000205,14,59.7314,6.92
12461,N_acetyl_D_glucosamine_6_phosphate,bmse000205,15,57.09,11.32
12462,N_acetyl_D_glucosamine_6_phosphate,bmse000205,16,25.09,7.17
12463,N_acetyl_D_glucosamine_6_phosphate,bmse000205,17,24.8284,8.82
12464,N_acetyl_D_glucosamine_6_phosphate,bmse000205,18,24.6366,2.13
12465,N_acetyl_D_glucosamine_6_phosphate,bmse000205,19,8.3826,2.3
12466,formate,bmse000203,1,173.8915,12.5
12467,HEPES,bmse000202,1,60.8048,5.44
12468,HEPES,bmse000202,2,58.5772,7.51
12469,HEPES,bmse000202,3,54.5149,8.11
12470,HEPES,bmse000202,4,54.0844,12.5
12471,HEPES,bmse000202,5,52.383,11.07
12472,HEPES,bmse000202,6,50.0053,7.83
12473,D_citrulline,bmse000209,1,177.3935,5.6
12474,D_citrulline,bmse000209,2,164.2858,1.35
12475,D_citrulline,bmse000209,3,57.1942,10.87
12476,D_citrulline,bmse000209,4,41.9172,1.9
12477,D_citrulline,bmse000209,5,30.442,12.5
12478,D_citrulline,bmse000209,6,27.6603,6.22
12479,tryptamine,bmse000207,1,139.1467,1.96
12480,tryptamine,bmse000207,2,129.1548,2.05
12481,tryptamine,bmse000207,3,127.0515,9.42
12482,tryptamine,bmse000207,4,124.8771,12.23
12483,tryptamine,bmse000207,5,122.1292,11.7
12484,tryptamine,bmse000207,6,121.0332,11.62
12485,tryptamine,bmse000207,7,114.7782,11.66
12486,tryptamine,bmse000207,8,111.7871,2.5
12487,tryptamine,bmse000207,9,42.4461,10.28
12488,tryptamine,bmse000207,10,25.3872,12.5
12489,caffeine,bmse000206,1,158.3677,2.3
12490,caffeine,bmse000206,2,154.8444,2.1
12491,caffeine,bmse000206,3,150.6943,2.53
12492,caffeine,bmse000206,4,146.1726,12.5
12493,caffeine,bmse000206,5,109.992,1.93
12494,caffeine,bmse000206,6,36.1671,12
12495,caffeine,bmse000206,7,32.5176,11.72
12496,caffeine,bmse000206,8,30.6092,12.15
12497,DL_serine,bmse000222,1,175.1858,1.49
12498,DL_serine,bmse000222,2,62.8818,12.5
12499,DL_serine,bmse000222,3,59.0696,9.18
12500,kanamycin,bmse000201,1,103.0882,11.25
12501,kanamycin,bmse000201,2,99.3708,11.19
12502,kanamycin,bmse000201,3,87.4547,11.03
12503,kanamycin,bmse000201,4,82.3518,10.12
12504,kanamycin,bmse000201,5,76.1335,11.05
12505,kanamycin,bmse000201,6,75.2746,11.27
12506,kanamycin,bmse000201,7,74.8051,11.96
12507,kanamycin,bmse000201,8,73.8216,11.92
12508,kanamycin,bmse000201,9,73.7132,12.5
12509,kanamycin,bmse000201,10,71.3274,11.8
12510,kanamycin,bmse000201,11,71.2135,10.89
12511,kanamycin,bmse000201,12,68.4669,11.25
12512,kanamycin,bmse000201,13,62.5738,8.79
12513,kanamycin,bmse000201,14,57.6876,10.31
12514,kanamycin,bmse000201,15,52.8142,10.87
12515,kanamycin,bmse000201,16,50.8624,10.67
12516,kanamycin,bmse000201,17,43.1772,9.79
12517,kanamycin,bmse000201,18,32.4006,6.43
12518,D_galacturonic_acid,bmse000216,1,178.7328,1.92
12519,D_galacturonic_acid,bmse000216,2,177.8683,2.95
12520,D_galacturonic_acid,bmse000216,3,103.6266,1.14
12521,D_galacturonic_acid,bmse000216,4,98.6973,11.64
12522,D_galacturonic_acid,bmse000216,5,94.8821,8.1
12523,D_galacturonic_acid,bmse000216,6,86.1096,1.16
12524,D_galacturonic_acid,bmse000216,7,83.8927,1.25
12525,D_galacturonic_acid,bmse000216,8,78.2191,12.5
12526,D_galacturonic_acid,bmse000216,9,75.5921,12.15
12527,D_galacturonic_acid,bmse000216,10,74.2733,11.54
12528,D_galacturonic_acid,bmse000216,11,74.0687,8.3
12529,D_galacturonic_acid,bmse000216,12,73.5175,7.92
12530,D_galacturonic_acid,bmse000216,13,73.4128,1.2
12531,D_galacturonic_acid,bmse000216,14,73.0403,11.9
12532,D_galacturonic_acid,bmse000216,15,72.0425,8.11
12533,D_galacturonic_acid,bmse000216,16,70.7295,8.19
12534,melibiose,bmse000215,1,100.9074,4.94
12535,melibiose,bmse000215,2,100.8624,8.18
12536,melibiose,bmse000215,3,98.7735,7.77
12537,melibiose,bmse000215,4,94.8936,4.8
12538,melibiose,bmse000215,5,78.5818,7.92
12539,melibiose,bmse000215,6,77.0481,7.86
12540,melibiose,bmse000215,7,76.7432,7.91
12541,melibiose,bmse000215,8,75.641,4.51
12542,melibiose,bmse000215,9,74.115,4.66
12543,melibiose,bmse000215,10,73.6521,8.63
12544,melibiose,bmse000215,11,72.7897,4.38
12545,melibiose,bmse000215,12,72.2675,4.58
12546,melibiose,bmse000215,13,72.1681,11.13
12547,melibiose,bmse000215,14,72.1168,8.41
12548,melibiose,bmse000215,15,71.8969,12.5
12549,melibiose,bmse000215,16,71.1809,5.01
12550,melibiose,bmse000215,17,71.1499,8
12551,melibiose,bmse000215,18,68.5997,3.4
12552,melibiose,bmse000215,19,68.5048,5.74
12553,melibiose,bmse000215,20,63.7993,7.48
12554,raffinose,bmse000221,1,106.4984,12
12555,raffinose,bmse000221,2,101.1619,11.75
12556,raffinose,bmse000221,3,94.8107,10.5
12557,raffinose,bmse000221,4,84.0386,10.37
12558,raffinose,bmse000221,5,78.9908,10.66
13601,ATP,bmse000006,5,121.2616,2.51
12559,raffinose,bmse000221,6,76.6708,10.74
12560,raffinose,bmse000221,7,75.3481,10.62
12561,raffinose,bmse000221,8,74.0893,10.03
12562,raffinose,bmse000221,9,73.7298,10.76
12563,raffinose,bmse000221,10,73.6491,10.76
12564,raffinose,bmse000221,11,72.1375,11.45
12565,raffinose,bmse000221,12,72.0811,10.61
12566,raffinose,bmse000221,13,71.8977,12.5
12567,raffinose,bmse000221,14,71.1782,10.63
12568,raffinose,bmse000221,15,68.5609,7.4
12569,raffinose,bmse000221,16,65.174,9.27
12570,raffinose,bmse000221,17,64.0591,8.59
12571,raffinose,bmse000221,18,63.8064,10.78
12572,phenylacetic_acid,bmse000220,1,140.0132,1.48
12573,phenylacetic_acid,bmse000220,2,131.8678,12.4
12574,phenylacetic_acid,bmse000220,3,131.3739,12.5
12575,phenylacetic_acid,bmse000220,4,129.1624,7.27
12576,phenylacetic_acid,bmse000220,5,47.1763,7.68
12577,quinolinic_acid,bmse000219,1,151.0633,4.64
12578,quinolinic_acid,bmse000219,2,139.9295,12.5
12579,quinolinic_acid,bmse000219,3,134.2225,1.66
12580,quinolinic_acid,bmse000219,4,126.3609,1.43
12581,L_arabinose,bmse000213,1,99.4707,11.84
12582,L_arabinose,bmse000213,2,95.2773,6.36
12583,L_arabinose,bmse000213,3,85.6557,1.01
12584,L_arabinose,bmse000213,4,75.1558,12.46
12585,L_arabinose,bmse000213,5,74.5445,11.65
12586,L_arabinose,bmse000213,6,71.3975,5.23
12587,L_arabinose,bmse000213,7,71.291,6.33
12588,L_arabinose,bmse000213,8,71.19,12.5
12589,L_arabinose,bmse000213,9,71.1316,6.46
12590,L_arabinose,bmse000213,10,69.092,10.76
12591,L_arabinose,bmse000213,11,65.1629,5.63
12592,L_arabinose,bmse000213,12,63.7809,1.01
12593,maleic_acid,bmse000212,1,178.0156,12.5
12594,maleic_acid,bmse000212,2,138.0455,2.52
12595,trimethylamine,bmse000224,1,47.3627,12.5
12596,FAD,bmse000226,1,164.0687,6.03
12597,FAD,bmse000226,2,160.4644,6.44
12598,FAD,bmse000226,3,157.4008,5.27
12599,FAD,bmse000226,4,155.0401,6.79
12600,FAD,bmse000226,5,153.2024,6.31
12601,FAD,bmse000226,6,152.7018,4.88
12602,FAD,bmse000226,7,150.7506,8.42
12603,FAD,bmse000226,8,141.8033,9.25
12604,FAD,bmse000226,9,137.3022,7.38
12605,FAD,bmse000226,10,136.7199,6.9
12606,FAD,bmse000226,11,134.1126,5.24
12607,FAD,bmse000226,12,133.1145,6.31
12608,FAD,bmse000226,13,120.4006,4.97
12609,FAD,bmse000226,14,119.1392,5.98
12610,FAD,bmse000226,15,89.8286,8.42
12611,FAD,bmse000226,16,86.1706,4.9
12612,FAD,bmse000226,17,77.5902,9.53
12613,FAD,bmse000226,18,75.1902,7.63
12614,FAD,bmse000226,19,73.8874,4.74
12615,FAD,bmse000226,20,72.6742,9.77
12616,FAD,bmse000226,21,72.0204,7.14
12617,FAD,bmse000226,22,49.8304,4.6
12618,FAD,bmse000226,23,23.4503,12.23
12619,FAD,bmse000226,24,21.3064,12.5
12620,biotin,bmse000227,1,186.5202,3.08
12621,biotin,bmse000227,2,168.1155,1.31
12622,biotin,bmse000227,3,64.7083,11.47
12623,biotin,bmse000227,4,62.9655,10.94
12624,biotin,bmse000227,5,58.0656,12.5
12625,biotin,bmse000227,6,42.4481,10.02
12626,biotin,bmse000227,7,40.0331,11.31
12627,biotin,bmse000227,8,30.9897,10.73
12628,biotin,bmse000227,9,30.4007,10.87
12629,biotin,bmse000227,10,28.3888,11.03
12630,L_malic_acid,bmse000238,1,183.7653,2.22
12631,L_malic_acid,bmse000238,2,182.5621,2.11
12632,L_malic_acid,bmse000238,3,73.0565,11
12633,L_malic_acid,bmse000238,4,45.325,12.5
12634,DL_pipecolic_acid,bmse000237,1,177.3687,2.02
12635,DL_pipecolic_acid,bmse000237,2,61.7014,10.46
12636,DL_pipecolic_acid,bmse000237,3,46.3684,11.14
12637,DL_pipecolic_acid,bmse000237,4,29.2254,12.03
12638,DL_pipecolic_acid,bmse000237,5,24.5183,12.5
12639,DL_pipecolic_acid,bmse000237,6,24.2597,11.72
12640,alpha_naphthoic_acid,bmse000178,1,180.9525,1.22
12641,alpha_naphthoic_acid,bmse000178,2,140.3164,2.38
12642,alpha_naphthoic_acid,bmse000178,3,136.0023,3.43
12643,alpha_naphthoic_acid,bmse000178,4,131.8378,2.83
12644,alpha_naphthoic_acid,bmse000178,5,131.5775,11.93
12645,alpha_naphthoic_acid,bmse000178,6,130.9661,12.32
12646,alpha_naphthoic_acid,bmse000178,7,129.4469,11.78
12647,alpha_naphthoic_acid,bmse000178,8,128.9278,12.24
12648,alpha_naphthoic_acid,bmse000178,9,128.3008,11.2
12649,alpha_naphthoic_acid,bmse000178,10,128.1263,11.47
12650,alpha_naphthoic_acid,bmse000178,11,126.9179,12.5
12651,L_lactic_acid,bmse000208,1,185.2568,1.47
12652,L_lactic_acid,bmse000208,2,71.1986,10.31
12653,L_lactic_acid,bmse000208,3,22.7605,12.5
12654,thymidine,bmse000244,1,169.2606,1.96
12655,thymidine,bmse000244,2,154.4362,2.17
12656,thymidine,bmse000244,3,140.2111,10.41
12657,thymidine,bmse000244,4,114.1556,4.85
12658,thymidine,bmse000244,5,89.1962,12.5
12659,thymidine,bmse000244,6,87.7135,11.37
12660,thymidine,bmse000244,7,73.1301,12.1
12661,thymidine,bmse000244,8,63.8632,10.49
12662,thymidine,bmse000244,9,41.1957,10.46
12663,thymidine,bmse000244,10,14.2614,10.1
12664,citraconic_acid,bmse000199,1,182.5855,1.19
12665,citraconic_acid,bmse000199,2,177.0006,1.62
12666,citraconic_acid,bmse000199,3,150.7235,3.14
12667,citraconic_acid,bmse000199,4,122.9987,12.5
12668,citraconic_acid,bmse000199,5,23.083,10.26
12669,homogentisic_acid,bmse000200,1,183.4495,2.25
12670,homogentisic_acid,bmse000200,2,151.5798,3.49
12671,homogentisic_acid,bmse000200,3,150.3577,2.71
12672,homogentisic_acid,bmse000200,4,128.3103,4.07
12673,homogentisic_acid,bmse000200,5,120.3611,12.12
12674,homogentisic_acid,bmse000200,6,119.7948,12.5
12675,homogentisic_acid,bmse000200,7,117.1989,12.11
12676,homogentisic_acid,bmse000200,8,42.6626,11.69
12677,isonicotinic_acid,bmse000133,1,152.265,11.27
12678,isonicotinic_acid,bmse000133,2,143.3482,1.49
12679,isonicotinic_acid,bmse000133,3,124.3227,12.5
12680,homovanillic_acid,bmse000132,1,184.0342,2.31
12681,homovanillic_acid,bmse000132,2,149.9125,2.75
12682,homovanillic_acid,bmse000132,3,145.8277,2.64
12683,homovanillic_acid,bmse000132,4,132.7556,4.92
12684,homovanillic_acid,bmse000132,5,124.6363,12.01
12685,homovanillic_acid,bmse000132,6,118.1634,12.5
12686,homovanillic_acid,bmse000132,7,116.1596,11.86
12687,homovanillic_acid,bmse000132,8,58.5972,11.89
12688,homovanillic_acid,bmse000132,9,46.5865,11.75
12689,cyanuric_acid,bmse000135,1,158.7585,12.5
12690,ethacrynic_acid,bmse000134,1,202.3118,4.43
12691,ethacrynic_acid,bmse000134,2,177.9826,5
12692,ethacrynic_acid,bmse000134,3,158.7271,7.04
12693,ethacrynic_acid,bmse000134,4,152.4416,9.11
12694,ethacrynic_acid,bmse000134,5,134.6377,7.45
12695,ethacrynic_acid,bmse000134,6,134.3055,7.14
12696,ethacrynic_acid,bmse000134,7,133.1034,4.2
12697,ethacrynic_acid,bmse000134,8,130.6445,11.98
12698,ethacrynic_acid,bmse000134,9,124.6188,3.16
12699,ethacrynic_acid,bmse000134,10,113.5528,12.1
12700,ethacrynic_acid,bmse000134,11,70.3721,12.5
12701,ethacrynic_acid,bmse000134,12,25.8093,12.14
12702,ethacrynic_acid,bmse000134,13,14.5372,10.57
12703,itaconic_acid,bmse000137,1,183.4319,1.66
12704,itaconic_acid,bmse000137,2,144.4598,3.08
12705,itaconic_acid,bmse000137,3,124.7498,11.94
12706,itaconic_acid,bmse000137,4,44.7199,12.5
12707,amygdalin,bmse000139,1,135.1591,3.04
12708,amygdalin,bmse000139,2,133.2211,4.82
12709,amygdalin,bmse000139,3,132.0805,12.5
12710,amygdalin,bmse000139,4,130.5071,12.26
12711,amygdalin,bmse000139,5,121.2539,2.79
12712,amygdalin,bmse000139,6,105.5549,5
12713,amygdalin,bmse000139,7,104.1485,4.67
12714,amygdalin,bmse000139,8,78.6035,5.33
12715,amygdalin,bmse000139,9,78.2945,5.19
12716,amygdalin,bmse000139,10,78.182,4.9
12717,amygdalin,bmse000139,11,78.0819,4.95
12718,amygdalin,bmse000139,12,75.9,5.09
12719,amygdalin,bmse000139,13,75.4567,4.78
12720,amygdalin,bmse000139,14,72.369,5.36
12721,amygdalin,bmse000139,15,71.8621,4.67
12722,amygdalin,bmse000139,16,71.7644,5.77
12723,amygdalin,bmse000139,17,70.9831,3.34
12724,amygdalin,bmse000139,18,63.4233,3.79
12725,D_cellobiose,bmse000138,1,105.2663,8.21
12726,D_cellobiose,bmse000138,2,105.2381,5.61
12727,D_cellobiose,bmse000138,3,98.4528,7.32
12728,D_cellobiose,bmse000138,4,94.5197,4.61
12729,D_cellobiose,bmse000138,5,81.4215,4.68
12730,D_cellobiose,bmse000138,6,81.2838,7.67
12731,D_cellobiose,bmse000138,7,78.6932,12.12
12732,D_cellobiose,bmse000138,8,78.1874,12.5
12733,D_cellobiose,bmse000138,9,77.5013,7.76
12734,D_cellobiose,bmse000138,10,76.9856,7.78
12735,D_cellobiose,bmse000138,11,76.5907,7.38
12736,D_cellobiose,bmse000138,12,75.8703,9.08
12737,D_cellobiose,bmse000138,13,74.0348,4.8
12738,D_cellobiose,bmse000138,14,73.925,5.13
12739,D_cellobiose,bmse000138,15,72.8163,4.72
12740,D_cellobiose,bmse000138,16,72.1615,6.12
12741,D_cellobiose,bmse000138,17,72.1439,8.59
12742,D_cellobiose,bmse000138,18,63.2643,6.56
12743,D_cellobiose,bmse000138,19,62.74,5.36
12744,D_cellobiose,bmse000138,20,62.606,3.56
12745,gamma_D_galactonolactone,bmse000141,1,178.7234,2.86
12746,gamma_D_galactonolactone,bmse000141,2,82.7298,12.5
12747,gamma_D_galactonolactone,bmse000141,3,76.4007,12.48
12748,gamma_D_galactonolactone,bmse000141,4,75.5187,12.19
12749,gamma_D_galactonolactone,bmse000141,5,74.2346,3.63
12750,gamma_D_galactonolactone,bmse000141,6,74.0161,3.26
12751,gamma_D_galactonolactone,bmse000141,7,72.7812,3.45
12752,gamma_D_galactonolactone,bmse000141,8,72.4324,3.36
12753,gamma_D_galactonolactone,bmse000141,9,71.5773,12.34
12754,gamma_D_galactonolactone,bmse000141,10,66.0277,3.07
12755,gamma_D_galactonolactone,bmse000141,11,64.6899,11.19
12756,D_glucuronate,bmse000140,1,179.6525,1.52
12757,D_glucuronate,bmse000140,2,178.6724,2.78
12758,D_glucuronate,bmse000140,3,98.5755,11.73
12759,D_glucuronate,bmse000140,4,94.8123,7.69
12760,D_glucuronate,bmse000140,5,78.959,12.5
12761,D_glucuronate,bmse000140,6,78.2467,11.99
12762,D_glucuronate,bmse000140,7,76.6906,11.59
12763,D_glucuronate,bmse000140,8,75.2591,7.37
13602,ATP,bmse000006,6,89.3634,10.94
12764,D_glucuronate,bmse000140,9,74.8051,6.93
12765,D_glucuronate,bmse000140,10,74.5748,8
12766,D_glucuronate,bmse000140,11,74.5431,12.46
12767,D_glucuronate,bmse000140,12,73.9985,7.55
12768,L_gulonolactone,bmse000235,1,180.7006,2.42
12769,L_gulonolactone,bmse000235,2,84.0626,11.74
12770,L_gulonolactone,bmse000235,3,76.1965,2.96
12771,L_gulonolactone,bmse000235,4,75.331,3.02
12772,L_gulonolactone,bmse000235,5,74.9955,3.01
12773,L_gulonolactone,bmse000235,6,73.5223,12.5
12774,L_gulonolactone,bmse000235,7,73.1631,3.21
12775,L_gulonolactone,bmse000235,8,72.7983,12.19
12776,L_gulonolactone,bmse000235,9,72.2798,12.42
12777,L_gulonolactone,bmse000235,10,65.2205,2.74
12778,L_gulonolactone,bmse000235,11,64.1843,11.09
12779,glycogen,bmse000232,1,102.5103,8.96
12780,glycogen,bmse000232,2,79.5505,5.53
12781,glycogen,bmse000232,3,75.5834,9.32
12782,glycogen,bmse000232,4,74.2061,12.5
12783,glycogen,bmse000232,5,72.0454,4.53
12784,glycogen,bmse000232,6,63.2055,9.29
12785,melibiose,bmse000233,1,100.9084,5.19
12786,melibiose,bmse000233,2,100.8632,7.98
12787,melibiose,bmse000233,3,98.7735,7.66
12788,melibiose,bmse000233,4,94.8931,4.76
12789,melibiose,bmse000233,5,78.5818,7.97
12790,melibiose,bmse000233,6,77.0484,7.73
12791,melibiose,bmse000233,7,76.7428,7.76
12792,melibiose,bmse000233,8,75.6402,4.58
12793,melibiose,bmse000233,9,74.1149,4.63
12794,melibiose,bmse000233,10,73.6528,8.49
12795,melibiose,bmse000233,11,72.7893,4.29
12796,melibiose,bmse000233,12,72.267,4.52
12797,melibiose,bmse000233,13,72.1674,11.07
12798,melibiose,bmse000233,14,72.1167,8.55
12799,melibiose,bmse000233,15,71.8963,12.5
12800,melibiose,bmse000233,16,71.1803,5.19
12801,melibiose,bmse000233,17,71.1491,7.83
12802,melibiose,bmse000233,18,68.5995,3.44
12803,melibiose,bmse000233,19,68.5046,5.7
12804,melibiose,bmse000233,20,63.7983,7.42
12805,D_glucono_1_5_lactone,bmse000230,1,181.2312,2.98
12806,D_glucono_1_5_lactone,bmse000230,2,76.6877,12.5
12807,D_glucono_1_5_lactone,bmse000230,3,75.204,12.42
12808,D_glucono_1_5_lactone,bmse000230,4,73.8622,12.42
12809,D_glucono_1_5_lactone,bmse000230,5,73.6372,12.42
12810,D_glucono_1_5_lactone,bmse000230,6,65.3046,10.99
12811,N_acetyl_D_glucosamine,bmse000231,1,177.4899,2.8
12812,N_acetyl_D_glucosamine,bmse000231,2,177.2462,4.07
12813,N_acetyl_D_glucosamine,bmse000231,3,97.6343,8.26
12814,N_acetyl_D_glucosamine,bmse000231,4,93.5456,12.5
12815,N_acetyl_D_glucosamine,bmse000231,5,78.6606,9.02
12816,N_acetyl_D_glucosamine,bmse000231,6,76.5921,8.56
12817,N_acetyl_D_glucosamine,bmse000231,7,74.2719,12.4
12818,N_acetyl_D_glucosamine,bmse000231,8,73.3628,12.21
12819,N_acetyl_D_glucosamine,bmse000231,9,72.7507,12.34
12820,N_acetyl_D_glucosamine,bmse000231,10,72.5242,8.84
12821,N_acetyl_D_glucosamine,bmse000231,11,63.4249,7.22
12822,N_acetyl_D_glucosamine,bmse000231,12,63.2564,10.49
12823,N_acetyl_D_glucosamine,bmse000231,13,59.3824,8.25
12824,N_acetyl_D_glucosamine,bmse000231,14,56.8002,11.86
12825,N_acetyl_D_glucosamine,bmse000231,15,24.8865,6.38
12826,N_acetyl_D_glucosamine,bmse000231,16,24.609,9.19
12827,polygalacturonic_acid,bmse000228,1,178.1914,12.5
12828,polygalacturonic_acid,bmse000228,2,101.6522,9.97
12829,polygalacturonic_acid,bmse000228,3,80.5569,9.65
12830,polygalacturonic_acid,bmse000228,4,73.9772,8.45
12831,polygalacturonic_acid,bmse000228,5,71.4996,8.28
12832,polygalacturonic_acid,bmse000228,6,70.7598,8.29
12833,polygalacturonic_acid,bmse000228,7,26.4074,3.65
12834,D_saccharate,bmse000239,1,181.3679,2.13
12835,D_saccharate,bmse000239,2,181.237,1.95
12836,D_saccharate,bmse000239,3,76.4264,11.96
12837,D_saccharate,bmse000239,4,76.4165,12.5
12838,D_saccharate,bmse000239,5,76.2846,9.51
12839,D_saccharate,bmse000239,6,74.3621,9.95
12840,stachyose,bmse000240,1,106.5168,12.21
12841,stachyose,bmse000240,2,101.06,8.92
12842,stachyose,bmse000240,3,100.7169,10.76
12843,stachyose,bmse000240,4,94.8219,8.89
12844,stachyose,bmse000240,5,84.0524,9.16
12845,stachyose,bmse000240,6,78.9976,9.04
12846,stachyose,bmse000240,7,76.6795,9.2
12847,stachyose,bmse000240,8,75.4111,9
12848,stachyose,bmse000240,9,73.9757,8.23
12849,stachyose,bmse000240,10,73.7006,10.47
12850,stachyose,bmse000240,11,73.6476,9.63
12851,stachyose,bmse000240,12,72.1972,12.5
12852,stachyose,bmse000240,13,72.173,10.25
12853,stachyose,bmse000240,14,72.0684,10.06
12854,stachyose,bmse000240,15,72.0362,10.92
12855,stachyose,bmse000240,16,71.9303,12.49
12856,stachyose,bmse000240,17,71.5019,8.73
12857,stachyose,bmse000240,18,71.1393,9.07
12858,stachyose,bmse000240,19,70.9835,10.63
12859,stachyose,bmse000240,20,69.1734,6.48
12860,stachyose,bmse000240,21,68.5201,5.87
12861,stachyose,bmse000240,22,65.1886,8.65
12862,stachyose,bmse000240,23,64.0756,7.23
12863,stachyose,bmse000240,24,63.8499,10.36
12864,L_tartaric_acid,bmse000167,1,181.2992,12.5
12865,D_xylonate_cadmium,bmse000166,1,181.2863,3.14
12866,D_xylonate_cadmium,bmse000166,2,75.334,10.18
12867,D_xylonate_cadmium,bmse000166,3,75.0844,12.5
12868,D_xylonate_cadmium,bmse000166,4,65.059,9.59
12869,N_acetyl_D_glucosamine_1_phosphate,bmse000163,1,177.4252,6.68
12870,N_acetyl_D_glucosamine_1_phosphate,bmse000163,2,95.4941,6.42
12871,N_acetyl_D_glucosamine_1_phosphate,bmse000163,3,95.4396,6.74
12872,N_acetyl_D_glucosamine_1_phosphate,bmse000163,4,74.801,12.35
12873,N_acetyl_D_glucosamine_1_phosphate,bmse000163,5,74.139,11.43
12874,N_acetyl_D_glucosamine_1_phosphate,bmse000163,6,72.7232,12.5
12875,N_acetyl_D_glucosamine_1_phosphate,bmse000163,7,63.4049,10.26
12876,N_acetyl_D_glucosamine_1_phosphate,bmse000163,8,60.1376,1.31
12877,N_acetyl_D_glucosamine_1_phosphate,bmse000163,9,56.8998,5.8
12878,N_acetyl_D_glucosamine_1_phosphate,bmse000163,10,56.8264,6.12
12879,N_acetyl_D_glucosamine_1_phosphate,bmse000163,11,24.8578,11.78
12880,N_acetyl_D_glucosamine_1_phosphate,bmse000163,12,19.5062,1.22
12881,L_ornithine,bmse000162,1,177.052,2.52
12882,L_ornithine,bmse000162,2,56.8032,12.42
12883,L_ornithine,bmse000162,3,41.5581,10.67
12884,L_ornithine,bmse000162,4,30.183,12.5
12885,L_ornithine,bmse000162,5,25.4674,10.78
12886,D_alanine,bmse000236,1,178.5839,1.59
12887,D_alanine,bmse000236,2,53.2011,9.79
12888,D_alanine,bmse000236,3,18.8519,12.5
12889,4_nitrophenol,bmse000223,1,130.0111,12.5
12890,4_nitrophenol,bmse000223,2,129.9947,12.29
12891,4_nitrophenol,bmse000223,3,120.3011,8.51
12892,4_nitrophenol,bmse000223,4,120.2591,10.79
12893,D_L_glyceraldehyde,bmse000225,1,92.4597,11.03
12894,D_L_glyceraldehyde,bmse000225,2,76.7639,11.48
12895,D_L_glyceraldehyde,bmse000225,3,64.6759,12.5
12896,4_hydroxycinnamic_acid,bmse000150,1,178.908,1.38
12897,4_hydroxycinnamic_acid,bmse000150,2,159.818,1.85
12898,4_hydroxycinnamic_acid,bmse000150,3,143.5246,4.55
12899,4_hydroxycinnamic_acid,bmse000150,4,132.2994,11.74
12900,4_hydroxycinnamic_acid,bmse000150,5,130.1932,2.25
12901,4_hydroxycinnamic_acid,bmse000150,6,124.1229,4.91
12902,4_hydroxycinnamic_acid,bmse000150,7,118.5321,12.5
12903,alpha_D_galactose_1_phosphate,bmse000151,1,96.62,5.96
12904,alpha_D_galactose_1_phosphate,bmse000151,2,96.566,5.93
12905,alpha_D_galactose_1_phosphate,bmse000151,3,73.8281,11.4
12906,alpha_D_galactose_1_phosphate,bmse000151,4,72.304,10.42
12907,alpha_D_galactose_1_phosphate,bmse000151,5,72.1558,12.5
12908,alpha_D_galactose_1_phosphate,bmse000151,6,71.7402,5.87
12909,alpha_D_galactose_1_phosphate,bmse000151,7,71.6737,5.84
12910,alpha_D_galactose_1_phosphate,bmse000151,8,64.0705,10.09
12911,dAMP,bmse000250,1,155.0627,3.71
12912,dAMP,bmse000250,2,142.9366,3.42
12913,dAMP,bmse000250,3,90.1821,11.54
12914,dAMP,bmse000250,4,87.3797,7.1
12915,dAMP,bmse000250,5,74.0139,10.26
12916,dAMP,bmse000250,6,64.4148,12.5
12917,dAMP,bmse000250,7,41.7694,7.82
12918,Oxalosuccinate,bmse000251,1,184.1371,2.15
12919,Oxalosuccinate,bmse000251,2,172.7664,1.95
12920,Oxalosuccinate,bmse000251,3,52.8383,1.48
12921,Oxalosuccinate,bmse000251,4,38.5758,5.93
12922,Oxalosuccinate,bmse000251,5,38.454,1.48
12923,Oxalosuccinate,bmse000251,6,38.2644,1.54
12924,Oxalosuccinate,bmse000251,7,38.0683,1.39
12925,Oxalosuccinate,bmse000251,8,36.9355,3.83
12926,Oxalosuccinate,bmse000251,9,35.3007,1.19
12927,Oxalosuccinate,bmse000251,10,34.9692,1.16
12928,Oxalosuccinate,bmse000251,11,33.3147,5.48
12929,Oxalosuccinate,bmse000251,12,33.2611,6.95
12930,Oxalosuccinate,bmse000251,13,33.2048,12.5
12931,Oxalosuccinate,bmse000251,14,25.9719,1.99
12932,Salicylate,bmse000252,1,178.336,1.8
12933,Salicylate,bmse000252,2,162.3095,1.9
12934,Salicylate,bmse000252,3,136.7054,12.5
12935,Salicylate,bmse000252,4,133.2002,11.8
12936,Salicylate,bmse000252,5,122.0978,11.69
12937,Salicylate,bmse000252,6,120.713,2.32
12938,Salicylate,bmse000252,7,119.007,12.31
12939,dADP,bmse000253,1,158.1421,4.9
12940,dADP,bmse000253,2,155.3005,9.18
12941,dADP,bmse000253,3,151.2181,2.23
12942,dADP,bmse000253,4,142.6258,3.6
12943,dADP,bmse000253,5,121.1832,1.88
12944,dADP,bmse000253,6,88.4189,5.03
12945,dADP,bmse000253,7,88.3329,5.02
12946,dADP,bmse000253,8,86.1412,10.03
12947,dADP,bmse000253,9,73.3197,12.5
12948,dADP,bmse000253,10,67.3652,4.1
12949,dADP,bmse000253,11,67.3129,3.98
12950,dADP,bmse000253,12,41.5514,9.81
12951,D_Fructose_1_phosphate,bmse000254,1,100.8301,3.74
12952,D_Fructose_1_phosphate,bmse000254,2,100.7578,3.97
12953,D_Fructose_1_phosphate,bmse000254,3,83.1443,1.21
12954,D_Fructose_1_phosphate,bmse000254,4,78.79,1.8
12955,D_Fructose_1_phosphate,bmse000254,5,76.8304,1.21
12956,D_Fructose_1_phosphate,bmse000254,6,72.0493,12.5
12957,D_Fructose_1_phosphate,bmse000254,7,71.8351,11.69
12958,D_Fructose_1_phosphate,bmse000254,8,70.5098,12.35
12959,D_Fructose_1_phosphate,bmse000254,9,68.9967,5.19
12960,D_Fructose_1_phosphate,bmse000254,10,68.9492,5.25
12961,D_Fructose_1_phosphate,bmse000254,11,66.0887,9.73
12962,D_Fructose_1_phosphate,bmse000254,12,64.969,2.12
12963,D_Fructose_1_phosphate,bmse000254,13,64.1264,1.29
12964,ITP,bmse000255,1,161.4399,4.25
12965,ITP,bmse000255,2,151.5943,2.62
12966,ITP,bmse000255,3,149.0201,9.65
12967,ITP,bmse000255,4,142.5226,5.74
12968,ITP,bmse000255,5,126.3562,2.24
12969,ITP,bmse000255,6,90.276,1.56
12970,ITP,bmse000255,7,89.9312,10.81
12971,ITP,bmse000255,8,86.8306,5.65
12972,ITP,bmse000255,9,86.7415,5.81
12973,ITP,bmse000255,10,77.2254,2.18
12974,ITP,bmse000255,11,77.1273,12.5
12975,ITP,bmse000255,12,72.8596,11.68
12976,ITP,bmse000255,13,72.5243,2.14
12977,ITP,bmse000255,14,67.7479,4.35
12978,ITP,bmse000255,15,67.695,4.23
12979,Formaldehyde,bmse000256,1,84.4358,12.5
12980,FMN,bmse000257,1,163.2526,6.78
12981,FMN,bmse000257,2,160.3175,7.33
12982,FMN,bmse000257,3,153.429,6.6
12983,FMN,bmse000257,4,152.3129,4.11
12984,FMN,bmse000257,5,142.1584,7.18
12985,FMN,bmse000257,6,136.6282,6.86
12986,FMN,bmse000257,7,136.1877,6.82
12987,FMN,bmse000257,8,134.1083,4
12988,FMN,bmse000257,9,132.8224,4.98
12989,FMN,bmse000257,10,119.7064,4.78
12990,FMN,bmse000257,11,75.2209,6.14
12991,FMN,bmse000257,12,74.4868,3.9
12992,FMN,bmse000257,13,74.4237,3.92
12993,FMN,bmse000257,14,72.0087,6.36
12994,FMN,bmse000257,15,67.8012,3.52
12995,FMN,bmse000257,16,50.1474,2.93
12996,FMN,bmse000257,17,23.466,11.62
12997,FMN,bmse000257,18,21.3437,12.5
12998,Glycolaldehyde,bmse000258,1,92.374,9.81
12999,Glycolaldehyde,bmse000258,2,67.1623,12.5
13000,4_Hydroxybenzaldehyde,bmse000259,1,197.0798,3.76
13001,4_Hydroxybenzaldehyde,bmse000259,2,136.1538,9.71
13002,4_Hydroxybenzaldehyde,bmse000259,3,129.545,1.03
13003,4_Hydroxybenzaldehyde,bmse000259,4,119.8609,12.5
13004,Nicotinamide_D_ribonucleotide,bmse000260,1,175.8236,3.35
13005,Nicotinamide_D_ribonucleotide,bmse000260,2,141.0654,10.52
13006,Nicotinamide_D_ribonucleotide,bmse000260,3,127.6138,9.12
13007,Nicotinamide_D_ribonucleotide,bmse000260,4,108.182,10.66
13008,Nicotinamide_D_ribonucleotide,bmse000260,5,103.4044,6.52
13009,Nicotinamide_D_ribonucleotide,bmse000260,6,103.1839,1.61
13010,Nicotinamide_D_ribonucleotide,bmse000260,7,97.6396,11.48
13011,Nicotinamide_D_ribonucleotide,bmse000260,8,85.9422,6.34
13012,Nicotinamide_D_ribonucleotide,bmse000260,9,85.8555,6.04
13013,Nicotinamide_D_ribonucleotide,bmse000260,10,80.4925,1.81
13014,Nicotinamide_D_ribonucleotide,bmse000260,11,74.2063,1.79
13015,Nicotinamide_D_ribonucleotide,bmse000260,12,73.4952,12.5
13016,Nicotinamide_D_ribonucleotide,bmse000260,13,73.3372,12.21
13017,Nicotinamide_D_ribonucleotide,bmse000260,14,66.7617,5.06
13018,Nicotinamide_D_ribonucleotide,bmse000260,15,66.7167,4.78
13019,Nicotinamide_D_ribonucleotide,bmse000260,16,24.6964,9.6
13020,Acetyl_phosphate,bmse000261,1,175.0096,3.44
13021,Acetyl_phosphate,bmse000261,2,25.9801,10.24
13022,Acetyl_phosphate,bmse000261,3,24.7883,12.5
13023,Acetyl_phosphate,bmse000261,4,24.7425,11.1
13024,3_4_Hydroxyphenyl_pyruvate,bmse000262,1,157.3242,1.3
13025,3_4_Hydroxyphenyl_pyruvate,bmse000262,2,133.865,7.91
13026,3_4_Hydroxyphenyl_pyruvate,bmse000262,3,118.3826,12.5
13027,3_4_Hydroxyphenyl_pyruvate,bmse000262,4,117.7478,1.45
13028,NADP,bmse000263,1,167.8496,4.47
13029,NADP,bmse000263,2,158.1147,5.39
13030,NADP,bmse000263,3,155.428,9.01
13031,NADP,bmse000263,4,151.6757,5.76
13032,NADP,bmse000263,5,148.3745,7.75
13033,NADP,bmse000263,6,145.0167,6.29
13034,NADP,bmse000263,7,142.8886,8.29
13035,NADP,bmse000263,8,142.5477,5.92
13036,NADP,bmse000263,9,136.304,8.28
13037,NADP,bmse000263,10,131.3453,8.51
13038,NADP,bmse000263,11,121.1612,3.82
13039,NADP,bmse000263,12,102.729,11.11
13040,NADP,bmse000263,13,89.8221,5.86
13041,NADP,bmse000263,14,89.7336,5.64
13042,NADP,bmse000263,15,89.2538,5.26
13043,NADP,bmse000263,16,89.1719,5.28
13044,NADP,bmse000263,17,85.7472,5.48
13045,NADP,bmse000263,18,85.6577,5.52
13046,NADP,bmse000263,19,80.3221,12.5
13047,NADP,bmse000263,20,78.7636,5.55
13048,NADP,bmse000263,21,78.722,5.71
13049,NADP,bmse000263,22,73.3731,12.23
13050,NADP,bmse000263,23,72.7335,7.06
13051,NADP,bmse000263,24,68.2193,4.11
13052,NADP,bmse000263,25,67.6754,4.43
13053,NADP,bmse000263,26,57.0544,1.98
13054,4_Nitrophenyl_phosphate,bmse000264,1,163.0405,1.08
13055,4_Nitrophenyl_phosphate,bmse000264,2,144.5179,1.04
13056,4_Nitrophenyl_phosphate,bmse000264,3,128.4131,12.5
13057,4_Nitrophenyl_phosphate,bmse000264,4,122.6671,7.06
13058,4_Nitrophenyl_phosphate,bmse000264,5,122.6148,7.04
13059,4_Nitrocatechol,bmse000265,1,164.1278,1.69
13060,4_Nitrocatechol,bmse000265,2,148.5107,2.32
13061,4_Nitrocatechol,bmse000265,3,138.4594,1.3
13062,4_Nitrocatechol,bmse000265,4,122.9045,11.12
13603,ATP,bmse000006,7,86.7432,5.75
13063,4_Nitrocatechol,bmse000265,5,118.6529,12.08
13064,4_Nitrocatechol,bmse000265,6,112.45,12.5
13065,UDP,bmse000266,1,169.0888,5
13066,UDP,bmse000266,2,154.545,3.74
13067,UDP,bmse000266,3,144.5243,8.52
13068,UDP,bmse000266,4,105.234,10.35
13069,UDP,bmse000266,5,91.4445,11.2
13070,UDP,bmse000266,6,85.9024,5.62
13071,UDP,bmse000266,7,85.8136,5.66
13072,UDP,bmse000266,8,76.5959,12.5
13073,UDP,bmse000266,9,71.8259,11.92
13074,UDP,bmse000266,10,66.8315,4.4
13075,UDP,bmse000266,11,66.7792,4.54
13076,Formamide,bmse000267,1,169.4492,12.5
13077,R_Lactate,bmse000269,1,185.265,2.92
13078,R_Lactate,bmse000269,2,71.1978,10.49
13079,R_Lactate,bmse000269,3,22.7641,12.5
13080,GDP,bmse000270,1,161.6068,4.89
13081,GDP,bmse000270,2,156.6326,5.27
13082,GDP,bmse000270,3,154.1538,4.67
13083,GDP,bmse000270,4,140.2801,1.14
13084,GDP,bmse000270,5,140.1096,6.84
13085,GDP,bmse000270,6,118.7579,3.69
13086,GDP,bmse000270,7,89.8065,11.14
13087,GDP,bmse000270,8,86.2198,5.66
13088,GDP,bmse000270,9,86.132,5.77
13089,GDP,bmse000270,10,76.7534,12.5
13090,GDP,bmse000270,11,72.5131,12.28
13091,GDP,bmse000270,12,67.1729,4.45
13092,GDP,bmse000270,13,67.1215,4.26
13093,CoA,bmse000271,1,177.6817,2.7
13094,CoA,bmse000271,2,177.4294,8.2
13095,CoA,bmse000271,3,176.8233,2.08
13096,CoA,bmse000271,4,176.7106,6.6
13097,CoA,bmse000271,5,158.389,5.21
13098,CoA,bmse000271,6,155.6654,8.04
13099,CoA,bmse000271,7,155.5753,5.97
13100,CoA,bmse000271,8,152.1398,5.55
13101,CoA,bmse000271,9,152.0219,2.76
13102,CoA,bmse000271,10,142.9347,4.88
13103,CoA,bmse000271,11,142.6212,6.68
13104,CoA,bmse000271,12,121.3186,3.76
13105,CoA,bmse000271,13,89.3885,6.08
13106,CoA,bmse000271,14,89.1901,9.09
13107,CoA,bmse000271,15,87.3585,1.54
13108,CoA,bmse000271,16,87.3087,1.85
13109,CoA,bmse000271,17,87.2237,1.74
13110,CoA,bmse000271,18,86.8498,2.3
13111,CoA,bmse000271,19,86.7595,2.57
13112,CoA,bmse000271,20,85.3884,1.1
13113,CoA,bmse000271,21,79.6453,1.28
13114,CoA,bmse000271,22,79.1396,1.19
13115,CoA,bmse000271,23,78.2226,1.22
13116,CoA,bmse000271,24,77.5422,4.25
13117,CoA,bmse000271,25,77.2177,3.82
13118,CoA,bmse000271,26,77.1851,3.69
13119,CoA,bmse000271,27,76.9949,5.4
13120,CoA,bmse000271,28,76.9604,4.74
13121,CoA,bmse000271,29,76.7805,9.52
13122,CoA,bmse000271,30,76.4673,4.19
13123,CoA,bmse000271,31,76.4236,8.22
13124,CoA,bmse000271,32,76.3796,5.46
13125,CoA,bmse000271,33,74.5542,4.24
13126,CoA,bmse000271,34,74.4922,3.65
13127,CoA,bmse000271,35,73.328,2.2
13128,CoA,bmse000271,36,73.2765,1.86
13129,CoA,bmse000271,37,68.4744,3.83
13130,CoA,bmse000271,38,68.4222,3.88
13131,CoA,bmse000271,39,66.6691,2.47
13132,CoA,bmse000271,40,66.6238,2.86
13133,CoA,bmse000271,41,45.0428,4.93
13134,CoA,bmse000271,42,44.9976,11.76
13135,CoA,bmse000271,43,44.9048,1.18
13136,CoA,bmse000271,44,41.1259,2.81
13137,CoA,bmse000271,45,41.0359,6.14
13138,CoA,bmse000271,46,40.9558,6.01
13139,CoA,bmse000271,47,40.7593,1.76
13140,CoA,bmse000271,48,39.1263,1.74
13141,CoA,bmse000271,49,38.2973,1.72
13142,CoA,bmse000271,50,38.1621,9.87
13143,CoA,bmse000271,51,38.0817,9.25
13144,CoA,bmse000271,52,25.7997,12.5
13145,CoA,bmse000271,53,24.0869,1.45
13146,CoA,bmse000271,54,23.9984,3.96
13147,CoA,bmse000271,55,23.5128,8.93
13148,CoA,bmse000271,56,22.6789,1.36
13149,CoA,bmse000271,57,20.9419,3.81
13150,CoA,bmse000271,58,20.7819,9.63
13151,CoA,bmse000271,59,20.1012,1.78
13152,CDP,bmse000272,1,168.8761,4.9
13153,CDP,bmse000272,2,160.4002,4.39
13154,CDP,bmse000272,3,144.5698,1.09
13155,CDP,bmse000272,4,144.266,8.55
13156,CDP,bmse000272,5,99.3648,1.46
13157,CDP,bmse000272,6,99.2242,9.38
13158,CDP,bmse000272,7,92.2295,11.24
13159,CDP,bmse000272,8,91.8456,1.72
13160,CDP,bmse000272,9,85.3396,5.74
13161,CDP,bmse000272,10,85.2502,5.69
13162,CDP,bmse000272,11,77.0076,12.5
13163,CDP,bmse000272,12,72.3706,1.47
13164,CDP,bmse000272,13,71.4858,12.07
13165,CDP,bmse000272,14,66.6366,4.51
13166,CDP,bmse000272,15,66.5841,4.41
13167,D_Aspartate,bmse000273,1,180.3052,2.2
13168,D_Aspartate,bmse000273,2,177.0122,1.98
13169,D_Aspartate,bmse000273,3,54.9072,9.91
13170,D_Aspartate,bmse000273,4,39.2644,12.5
13171,Thiamin,bmse000274,1,171.726,5.58
13172,Thiamin,bmse000274,2,164.5163,3.11
13173,Thiamin,bmse000274,3,159.8969,10.99
13174,Thiamin,bmse000274,4,145.552,3.59
13175,Thiamin,bmse000274,5,138.7379,4.97
13176,Thiamin,bmse000274,6,107.1899,6.29
13177,Thiamin,bmse000274,7,63.1255,12.5
13178,Thiamin,bmse000274,8,53.7574,10.69
13179,Thiamin,bmse000274,9,31.9248,12.41
13180,Thiamin,bmse000274,10,26.7632,11.25
13181,Thiamin,bmse000274,11,13.8517,12.02
13182,D_Fructose_2_6_bisphosphate,bmse000275,1,106.8714,4.79
13183,D_Fructose_2_6_bisphosphate,bmse000275,2,106.8017,4.74
13184,D_Fructose_2_6_bisphosphate,bmse000275,3,82.9825,6.41
13185,D_Fructose_2_6_bisphosphate,bmse000275,4,82.912,6.28
13186,D_Fructose_2_6_bisphosphate,bmse000275,5,80.0513,6.58
13187,D_Fructose_2_6_bisphosphate,bmse000275,6,80.0052,6.39
13188,D_Fructose_2_6_bisphosphate,bmse000275,7,78.0543,12.5
13189,D_Fructose_2_6_bisphosphate,bmse000275,8,68.3553,5.53
13190,D_Fructose_2_6_bisphosphate,bmse000275,9,68.3079,5.71
13191,D_Fructose_2_6_bisphosphate,bmse000275,10,65.2002,7.1
13192,D_Fructose_2_6_bisphosphate,bmse000275,11,60.1397,1.11
13193,D_Fructose_2_6_bisphosphate,bmse000275,12,19.51,1.19
13194,Ethanolamine,bmse000276,1,60.3171,12.5
13195,Ethanolamine,bmse000276,2,43.9507,8.05
13196,CTP,bmse000277,1,168.8983,5.15
13197,CTP,bmse000277,2,160.5208,4.42
13198,CTP,bmse000277,3,144.2311,8.6
13199,CTP,bmse000277,4,99.3524,9.52
13200,CTP,bmse000277,5,91.8085,11.04
13201,CTP,bmse000277,6,85.501,5.68
13202,CTP,bmse000277,7,85.4107,5.57
13203,CTP,bmse000277,8,77.0203,1.35
13204,CTP,bmse000277,9,76.8989,12.5
13205,CTP,bmse000277,10,71.7933,11.89
13206,CTP,bmse000277,11,71.4631,1.06
13207,CTP,bmse000277,12,67.272,4.2
13208,CTP,bmse000277,13,67.2177,4.39
13209,D_Ribulose_5_phosphate,bmse000278,1,103.8241,7.82
13210,D_Ribulose_5_phosphate,bmse000278,2,98.9771,2.24
13211,D_Ribulose_5_phosphate,bmse000278,3,85.3023,1.6
13212,D_Ribulose_5_phosphate,bmse000278,4,84.6704,3.81
13213,D_Ribulose_5_phosphate,bmse000278,5,84.5875,4.13
13214,D_Ribulose_5_phosphate,bmse000278,6,78.03,9.99
13215,D_Ribulose_5_phosphate,bmse000278,7,73.4112,12.5
13216,D_Ribulose_5_phosphate,bmse000278,8,72.931,3.83
13217,D_Ribulose_5_phosphate,bmse000278,9,67.3547,5.39
13218,D_Ribulose_5_phosphate,bmse000278,10,67.3093,5.5
13219,D_Ribulose_5_phosphate,bmse000278,11,66.4813,2.3
13220,Urocanate,bmse000279,1,178.6198,2.5
13221,Urocanate,bmse000279,2,140.3626,11.29
13222,Urocanate,bmse000279,3,137.0776,2.14
13223,Urocanate,bmse000279,4,133.668,10.36
13224,Urocanate,bmse000279,5,124.4849,12.5
13225,Urocanate,bmse000279,6,123.9802,8.38
13226,UMP,bmse000280,1,169.0839,4.57
13227,UMP,bmse000280,2,154.6578,3.41
13228,UMP,bmse000280,3,144.8275,8.54
13229,UMP,bmse000280,4,105.3924,10.43
13230,UMP,bmse000280,5,91.006,11.31
13231,UMP,bmse000280,6,86.9204,5.97
13232,UMP,bmse000280,7,86.8326,6.05
13233,UMP,bmse000280,8,76.6643,12.5
13234,UMP,bmse000280,9,72.7729,12.16
13235,UMP,bmse000280,10,65.9126,4.79
13236,UMP,bmse000280,11,65.8681,4.9
13237,Nicotinamide,bmse000281,1,154.5266,12.5
13238,Nicotinamide,bmse000281,2,150.344,11.49
13239,Nicotinamide,bmse000281,3,139.1539,11.48
13240,Nicotinamide,bmse000281,4,131.9398,1.76
13241,Nicotinamide,bmse000281,5,126.9235,10.76
13242,DL_Alanine,bmse000282,1,178.5738,1.77
13243,DL_Alanine,bmse000282,2,53.2017,9.6
13244,DL_Alanine,bmse000282,3,18.85,12.5
13245,Orotate,bmse000283,1,104.064,12.5
13246,Benzonitrile,bmse000284,1,136.2019,8.6
13247,Benzonitrile,bmse000284,2,135.1116,12.5
13248,Benzonitrile,bmse000284,3,131.8912,12.48
13249,Choline,bmse000285,1,70.1479,3.39
13250,Choline,bmse000285,2,70.1177,3.59
13251,Choline,bmse000285,3,70.0875,3.34
13252,Choline,bmse000285,4,58.3089,8.06
13253,Choline,bmse000285,5,56.621,11.8
13254,Choline,bmse000285,6,56.5813,12.5
13255,Choline,bmse000285,7,56.542,12.01
13256,Acetophenone,bmse000286,1,136.8469,7.17
13257,Acetophenone,bmse000286,2,131.5104,12.5
13258,Acetophenone,bmse000286,3,131.2516,11.84
13259,Acetophenone,bmse000286,4,28.9711,3.47
13260,Pantothenate,bmse000287,1,183.0208,3.24
13261,Pantothenate,bmse000287,2,177.6531,4.02
13262,Pantothenate,bmse000287,3,78.4586,12.5
13263,Pantothenate,bmse000287,4,71.0985,10.81
13264,Pantothenate,bmse000287,5,41.2778,8.26
13265,Pantothenate,bmse000287,6,39.3779,10.45
13266,Pantothenate,bmse000287,7,38.8533,9.94
13267,Pantothenate,bmse000287,8,23.2349,9.96
13268,Pantothenate,bmse000287,9,21.8424,10.1
13269,Pyridoxine,bmse000288,1,163.4259,2.28
13270,Pyridoxine,bmse000288,2,146.9983,3.52
13271,Pyridoxine,bmse000288,3,141.4468,3.78
13272,Pyridoxine,bmse000288,4,138.1842,4.52
13273,Pyridoxine,bmse000288,5,127.4073,3.84
13274,Pyridoxine,bmse000288,6,61.4656,12.5
13275,Pyridoxine,bmse000288,7,58.6687,10.33
13276,Pyridoxine,bmse000288,8,18.2013,8.23
13277,S_Adenosyl_L_homocysteine,bmse000289,1,176.8876,4.61
13278,S_Adenosyl_L_homocysteine,bmse000289,2,158.3878,3.44
13279,S_Adenosyl_L_homocysteine,bmse000289,3,155.6615,9.39
13280,S_Adenosyl_L_homocysteine,bmse000289,4,151.6956,3.2
13281,S_Adenosyl_L_homocysteine,bmse000289,5,142.814,7.91
13282,S_Adenosyl_L_homocysteine,bmse000289,6,121.5644,2.04
13604,ATP,bmse000006,8,86.6543,5.65
13283,S_Adenosyl_L_homocysteine,bmse000289,7,90.125,10.63
13284,S_Adenosyl_L_homocysteine,bmse000289,8,90.0104,2.04
13285,S_Adenosyl_L_homocysteine,bmse000289,9,86.1029,11.9
13286,S_Adenosyl_L_homocysteine,bmse000289,10,75.9715,11.38
13287,S_Adenosyl_L_homocysteine,bmse000289,11,75.0004,12.5
13288,S_Adenosyl_L_homocysteine,bmse000289,12,56.4364,10.43
13289,S_Adenosyl_L_homocysteine,bmse000289,13,36.2065,8.4
13290,S_Adenosyl_L_homocysteine,bmse000289,14,33.1203,8.91
13291,S_Adenosyl_L_homocysteine,bmse000289,15,30.4627,9.14
13292,Phenol,bmse000290,1,132.703,11.87
13293,Phenol,bmse000290,2,123.3534,6.56
13294,Phenol,bmse000290,3,118.0886,12.5
13295,Selenomethionine,bmse000291,1,176.8764,2.7
13296,Selenomethionine,bmse000291,2,57.3265,11.71
13297,Selenomethionine,bmse000291,3,33.5106,11.73
13298,Selenomethionine,bmse000291,4,21.8408,12.5
13299,Selenomethionine,bmse000291,5,5.875,6.96
13300,UDPglucuronate,bmse000292,1,179.1513,4.63
13301,UDPglucuronate,bmse000292,2,169.0242,5.14
13302,UDPglucuronate,bmse000292,3,154.6097,3.93
13303,UDPglucuronate,bmse000292,4,144.2873,8.42
13304,UDPglucuronate,bmse000292,5,105.4108,10.1
13305,UDPglucuronate,bmse000292,6,98.1166,5.83
13306,UDPglucuronate,bmse000292,7,98.0506,5.78
13307,UDPglucuronate,bmse000292,8,91.0126,10.69
13308,UDPglucuronate,bmse000292,9,86.0368,5.52
13309,UDPglucuronate,bmse000292,10,85.9455,5.68
13310,UDPglucuronate,bmse000292,11,76.498,12.5
13311,UDPglucuronate,bmse000292,12,75.7603,10.99
13312,UDPglucuronate,bmse000292,13,75.2986,10.18
13313,UDPglucuronate,bmse000292,14,74.5675,11.19
13314,UDPglucuronate,bmse000292,15,74.1227,5.66
13315,UDPglucuronate,bmse000292,16,74.0395,5.54
13316,UDPglucuronate,bmse000292,17,72.367,11.96
13317,UDPglucuronate,bmse000292,18,67.7081,4.35
13318,UDPglucuronate,bmse000292,19,67.6532,4.54
13319,UDPglucuronate,bmse000292,20,60.142,1.01
13320,UDPglucuronate,bmse000292,21,19.5053,1.3
13321,Hydroquinone,bmse000293,1,151.6552,1.09
13322,Hydroquinone,bmse000293,2,119.0705,12.5
13323,Methanol,bmse000294,1,51.571,12.5
13324,Methanol,bmse000294,2,8.3835,1.29
13325,UTP,bmse000295,1,169.0527,4.84
13326,UTP,bmse000295,2,154.6305,3.56
13327,UTP,bmse000295,3,144.4685,8.62
13328,UTP,bmse000295,4,105.3558,9.9
13329,UTP,bmse000295,5,90.9803,10.91
13330,UTP,bmse000295,6,86.0794,5.45
13331,UTP,bmse000295,7,85.9897,5.66
13332,UTP,bmse000295,8,76.4645,12.5
13333,UTP,bmse000295,9,72.1667,11.59
13334,UTP,bmse000295,10,67.5196,4.26
13335,UTP,bmse000295,11,67.4644,4.32
13336,UTP,bmse000295,12,60.1427,1.1
13337,dTMP,bmse000296,1,169.2356,1.23
13338,dTMP,bmse000296,2,160.5265,1.29
13339,dTMP,bmse000296,3,154.4333,1.31
13340,dTMP,bmse000296,4,140.1216,3.35
13341,dTMP,bmse000296,5,114.2982,2.37
13342,dTMP,bmse000296,6,88.3382,2.04
13343,dTMP,bmse000296,7,88.2519,1.87
13344,dTMP,bmse000296,8,87.8416,3.66
13345,dTMP,bmse000296,9,73.7576,4.03
13346,dTMP,bmse000296,10,69.7071,3.43
13347,dTMP,bmse000296,11,69.6331,3.39
13348,dTMP,bmse000296,12,68.674,6.88
13349,dTMP,bmse000296,13,67.0077,1.54
13350,dTMP,bmse000296,14,66.9519,1.6
13351,dTMP,bmse000296,15,57.1741,5.62
13352,dTMP,bmse000296,16,50.7174,6.42
13353,dTMP,bmse000296,17,47.4494,6.5
13354,dTMP,bmse000296,18,41.3959,3.4
13355,dTMP,bmse000296,19,35.6124,12.5
13356,dTMP,bmse000296,20,27.378,11.97
13357,dTMP,bmse000296,21,27.3297,7.39
13358,dTMP,bmse000296,22,14.3887,4.03
13359,Ethanol,bmse000297,1,60.1347,10.57
13360,Ethanol,bmse000297,2,19.4922,12.5
13361,D_Glyceraldehyde,bmse000298,1,92.4619,11.47
13362,D_Glyceraldehyde,bmse000298,2,76.7643,11.97
13363,D_Glyceraldehyde,bmse000298,3,67.5383,2.02
13364,D_Glyceraldehyde,bmse000298,4,64.6757,12.5
13365,Folate,bmse000299,1,185.1947,10.02
13366,Folate,bmse000299,2,182.1813,8.33
13367,Folate,bmse000299,3,171.6618,6.23
13368,Folate,bmse000299,4,167.4706,1.1
13369,Folate,bmse000299,5,156.8561,3.58
13370,Folate,bmse000299,6,154.9662,1.2
13371,Folate,bmse000299,7,152.4534,5.63
13372,Folate,bmse000299,8,150.9644,2.57
13373,Folate,bmse000299,9,150.4027,4.37
13374,Folate,bmse000299,10,131.6987,1.03
13375,Folate,bmse000299,11,131.3015,7.38
13376,Folate,bmse000299,12,129.0129,4.84
13377,Folate,bmse000299,13,123.0856,5.17
13378,Folate,bmse000299,14,113.9108,6.41
13379,Folate,bmse000299,15,58.6333,8.76
13380,Folate,bmse000299,16,47.4239,2.98
13381,Folate,bmse000299,17,37.0651,12.5
13382,Folate,bmse000299,18,31.1742,7.87
13383,Benzoate,bmse000300,1,138.9121,1.04
13384,Benzoate,bmse000300,2,133.9731,7.03
13385,Benzoate,bmse000300,3,131.4957,12.46
13386,Benzoate,bmse000300,4,131.0181,12.5
13387,1_3_diaminopropane,bmse000001,1,39.3182,12.5
13605,ATP,bmse000006,9,76.9481,12.5
13388,1_3_diaminopropane,bmse000001,2,27.6038,6.62
13389,2_3_diphospho_D_glyceric_acid,bmse000002,1,180.6244,6.14
13390,2_3_diphospho_D_glyceric_acid,bmse000002,2,77.8926,9.81
13391,2_3_diphospho_D_glyceric_acid,bmse000002,3,77.8397,8.95
13392,2_3_diphospho_D_glyceric_acid,bmse000002,4,77.8017,8.58
13393,2_3_diphospho_D_glyceric_acid,bmse000002,5,77.7593,8.04
13394,2_3_diphospho_D_glyceric_acid,bmse000002,6,69.2089,12.5
13395,2_deoxyguanosine,bmse000003,1,140.4376,7.32
13396,2_deoxyguanosine,bmse000003,2,89.8652,7.61
13397,2_deoxyguanosine,bmse000003,3,86.6745,9.57
13398,2_deoxyguanosine,bmse000003,4,73.9059,12.5
13399,2_deoxyguanosine,bmse000003,5,64.3305,8.45
13400,2_deoxyguanosine,bmse000003,6,41.3976,8.86
13401,adenine,bmse000060,1,153.1875,0.8
13402,adenine,bmse000060,2,151.829,1.02
13403,adenine,bmse000060,3,147.5748,11.47
13404,adenine,bmse000060,4,146.3944,12.5
13405,adenine,bmse000060,5,118.324,0.66
13406,adenosine,bmse000061,1,155.2065,8.59
13407,adenosine,bmse000061,2,151.091,3.13
13408,adenosine,bmse000061,3,143.2708,6.58
13409,adenosine,bmse000061,4,91.0332,10.74
13410,adenosine,bmse000061,5,88.5401,11.36
13411,adenosine,bmse000061,6,76.3929,12.5
13412,adenosine,bmse000061,7,73.3525,11.01
13413,adenosine,bmse000061,8,64.2162,10.03
13414,adenosine,bmse000061,9,133.0864,1.07
13415,adonitol,bmse000062,1,74.8925,6.76
13416,adonitol,bmse000062,2,74.8008,11.44
13417,adonitol,bmse000062,3,65.0705,12.5
13418,ADP,bmse000004,1,158.1533,6.68
13419,ADP,bmse000004,2,155.4207,12.01
13420,ADP,bmse000004,3,151.6456,1.97
13421,ADP,bmse000004,4,151.5495,1.81
13422,ADP,bmse000004,5,142.8127,2.95
13423,ADP,bmse000004,6,142.5832,3.64
13424,ADP,bmse000004,7,121.1747,1.72
13425,ADP,bmse000004,8,89.778,10.17
13426,ADP,bmse000004,9,89.5551,6.01
13427,ADP,bmse000004,10,87.4621,3.15
13428,ADP,bmse000004,11,87.3746,3.43
13429,ADP,bmse000004,12,86.4858,4.81
13430,ADP,bmse000004,13,86.3979,5.28
13431,ADP,bmse000004,14,77.2288,6.53
13432,ADP,bmse000004,15,77.0622,12.5
13433,ADP,bmse000004,16,73.4056,6.43
13434,ADP,bmse000004,17,72.6057,12.04
13435,ADP,bmse000004,18,67.1794,3.82
13436,ADP,bmse000004,19,67.1297,3.91
13437,ADP,bmse000004,20,66.2518,2.61
13438,ADP,bmse000004,21,66.2091,2.71
13439,agmatine,bmse000063,1,159.5178,1.15
13440,agmatine,bmse000063,2,43.1542,9.26
13441,agmatine,bmse000063,3,41.7324,8.53
13442,agmatine,bmse000063,4,27.7024,11.07
13443,agmatine,bmse000063,5,26.715,12.5
13444,D_allose,bmse000008,1,96.1036,10.7
13445,D_allose,bmse000008,2,95.5286,1.55
13446,D_allose,bmse000008,3,76.2932,11.82
13447,D_allose,bmse000008,4,74.3841,1.58
13448,D_allose,bmse000008,5,73.9304,11.03
13449,D_allose,bmse000008,6,73.8513,12.02
13450,D_allose,bmse000008,7,69.7109,1.21
13451,D_allose,bmse000008,8,69.5516,1.22
13452,D_allose,bmse000008,9,69.4757,12.5
13453,D_allose,bmse000008,10,68.7507,2.03
13454,D_allose,bmse000008,11,63.8517,10.79
13455,D_allose,bmse000008,12,63.3663,1.24
13456,D_fructose,bmse000010,1,100.7878,2.8
13457,D_fructose,bmse000010,2,83.3844,4
13458,D_fructose,bmse000010,3,78.7409,1.35
13459,D_fructose,bmse000010,4,78.0833,3.23
13460,D_fructose,bmse000010,5,77.1431,3.97
13461,D_fructose,bmse000010,6,72.3808,12.5
13462,D_fructose,bmse000010,7,71.9017,10.92
13463,D_fructose,bmse000010,8,70.2559,10.72
13464,D_fructose,bmse000010,9,66.587,11.06
13465,D_fructose,bmse000010,10,66.0735,12.1
13466,D_fructose,bmse000010,11,65.3682,3.85
13467,D_fructose,bmse000010,12,65.074,4.07
13468,D_galactose,bmse000013,1,99.1714,10.5
13469,D_galactose,bmse000013,2,94.9986,5.59
13470,D_galactose,bmse000013,3,77.8681,12.5
13471,D_galactose,bmse000013,4,75.5121,11.36
13472,D_galactose,bmse000013,5,74.5893,11.5
13473,D_galactose,bmse000013,6,73.1956,6.08
13474,D_galactose,bmse000013,7,72.0185,5.93
13475,D_galactose,bmse000013,8,71.879,5.94
13476,D_galactose,bmse000013,9,71.4595,12.5
13477,D_galactose,bmse000013,10,71.0589,5.22
13478,D_galactose,bmse000013,11,63.8951,5.64
13479,D_galactose,bmse000013,12,63.6909,11.96
13480,D_glucose,bmse000015,1,98.6177,12.18
13481,D_glucose,bmse000015,2,94.8017,7.46
13482,D_glucose,bmse000015,3,78.6602,12.5
13483,D_glucose,bmse000015,4,78.46,12.38
13484,D_glucose,bmse000015,5,76.8429,11.94
13485,D_glucose,bmse000015,6,75.4621,6.95
13486,D_glucose,bmse000015,7,74.1868,7.96
13487,D_glucose,bmse000015,8,74.1521,7.85
13488,D_glucose,bmse000015,9,72.3476,7.59
13489,D_glucose,bmse000015,10,72.3041,12.25
13490,D_glucose,bmse000015,11,63.4496,11.55
13491,D_glucose,bmse000015,12,63.2877,6.43
13492,D_mannose,bmse000018,1,96.747,10.66
13493,D_mannose,bmse000018,2,96.3827,5.27
13494,D_mannose,bmse000018,3,78.8753,4.9
13495,D_mannose,bmse000018,4,75.7486,5.48
13496,D_mannose,bmse000018,5,75.1093,11.15
13497,D_mannose,bmse000018,6,73.9252,5.51
13498,D_mannose,bmse000018,7,73.3921,10.59
13499,D_mannose,bmse000018,8,72.9329,10.68
13500,D_mannose,bmse000018,9,69.5495,10.82
13501,D_mannose,bmse000018,10,69.3058,5.88
13502,D_mannose,bmse000018,11,63.666,12.5
13503,D_psicose,bmse000020,1,105.9793,2.62
13504,D_psicose,bmse000020,2,101.1482,2.31
13505,D_psicose,bmse000020,3,85.4184,12.5
13506,D_psicose,bmse000020,4,77.3405,2.67
13507,D_psicose,bmse000020,5,74.437,5.54
13508,D_psicose,bmse000020,6,73.7152,3.61
13509,D_psicose,bmse000020,7,73.0555,10.59
13510,D_psicose,bmse000020,8,73.0326,11.16
13511,D_psicose,bmse000020,9,72.9119,5.49
13512,D_psicose,bmse000020,10,71.7174,6.08
13513,D_psicose,bmse000020,11,68.562,7.08
13514,D_psicose,bmse000020,12,68.1859,7.9
13515,D_psicose,bmse000020,13,67.7838,6.98
13516,D_psicose,bmse000020,14,66.8844,6.45
13517,D_psicose,bmse000020,15,66.6778,4.36
13518,D_psicose,bmse000020,16,65.9583,9.93
13519,D_psicose,bmse000020,17,65.7568,6.2
13520,D_psicose,bmse000020,18,65.5148,3.26
13521,D_psicose,bmse000020,19,65.0727,3.8
13522,D_psicose,bmse000020,20,64.029,7.13
13523,D_psicose,bmse000020,21,60.6736,5.34
13524,D_sorbose,bmse000022,1,100.4423,2.8
13525,D_sorbose,bmse000022,2,76.5308,8.63
13526,D_sorbose,bmse000022,3,73.0506,8.72
13527,D_sorbose,bmse000022,4,72.1197,12.5
13528,D_sorbose,bmse000022,5,66.1492,9.88
13529,D_sorbose,bmse000022,6,64.4696,11
13530,D_tagatose,bmse000023,1,100.9098,3.49
13531,D_tagatose,bmse000023,2,73.6229,12.5
13532,D_tagatose,bmse000023,3,72.484,10.38
13533,D_tagatose,bmse000023,4,71.9743,2.2
13534,D_tagatose,bmse000023,5,69.0595,10.53
13535,D_tagatose,bmse000023,6,66.5918,10.06
13536,D_tagatose,bmse000023,7,66.403,1.92
13537,D_tagatose,bmse000023,8,66.1917,1.73
13538,D_tagatose,bmse000023,9,64.9495,7.98
13539,D_tagatose,bmse000023,10,62.8345,1.69
13540,D_xylose,bmse000026,1,99.3304,11.78
13541,D_xylose,bmse000026,2,94.9405,6.48
13542,D_xylose,bmse000026,3,78.526,10.11
13543,D_xylose,bmse000026,4,76.7418,12.5
13544,D_xylose,bmse000026,5,75.5229,5.77
13545,D_xylose,bmse000026,6,74.1661,6.42
13546,D_xylose,bmse000026,7,72.1118,6.54
13547,D_xylose,bmse000026,8,71.9378,12.28
13548,D_xylose,bmse000026,9,67.899,10.25
13549,D_xylose,bmse000026,10,63.6456,5.21
13550,alpha_ketoglutaric_acid,bmse000064,1,184.1528,2.07
13551,alpha_ketoglutaric_acid,bmse000064,2,38.5723,12.5
13552,alpha_ketoglutaric_acid,bmse000064,3,33.3219,9.83
13553,alpha_lactose,bmse000065,1,105.6382,8.25
13554,alpha_lactose,bmse000065,2,98.4725,7.33
13555,alpha_lactose,bmse000065,3,94.539,4.05
13556,alpha_lactose,bmse000065,4,81.1636,3.89
13557,alpha_lactose,bmse000065,5,81.0377,6.84
13558,alpha_lactose,bmse000065,6,78.0734,12.5
13559,alpha_lactose,bmse000065,7,77.522,7.34
13560,alpha_lactose,bmse000065,8,77.0808,7.32
13561,alpha_lactose,bmse000065,9,76.5296,7.28
13562,alpha_lactose,bmse000065,10,75.2407,11.24
13563,alpha_lactose,bmse000065,11,74.1286,4.28
13564,alpha_lactose,bmse000065,12,73.8715,4.75
13565,alpha_lactose,bmse000065,13,73.6835,9.31
13566,alpha_lactose,bmse000065,14,72.8271,3.84
13567,alpha_lactose,bmse000065,15,71.272,8.2
13568,alpha_lactose,bmse000065,16,63.7524,7.27
13569,alpha_lactose,bmse000065,17,62.8108,4.95
13570,alpha_lactose,bmse000065,18,62.6765,3.11
13571,4_aminobenzoic_acid,bmse000066,1,133.5667,12.5
13572,4_aminobenzoic_acid,bmse000066,2,128.9442,1.1
13573,4_aminobenzoic_acid,bmse000066,3,117.8119,11.36
13574,AMP,bmse000005,1,158.1415,3.52
13575,AMP,bmse000005,2,155.4083,9.41
13576,AMP,bmse000005,3,151.6344,4.45
13577,AMP,bmse000005,4,142.8031,7.78
13578,AMP,bmse000005,5,121.1486,2.72
13579,AMP,bmse000005,6,89.5563,11.53
13580,AMP,bmse000005,7,87.4594,6.04
13581,AMP,bmse000005,8,87.3722,6.06
13582,AMP,bmse000005,9,77.2299,12.5
13583,AMP,bmse000005,10,73.4036,12.24
13584,AMP,bmse000005,11,66.25,4.83
13585,AMP,bmse000005,12,66.2055,5.13
13586,anthranilic_acid,bmse000067,1,150.2702,2.1
13587,anthranilic_acid,bmse000067,2,134.7227,10.28
13588,anthranilic_acid,bmse000067,3,133.6538,12.5
13589,anthranilic_acid,bmse000067,4,123.4956,1.99
13590,anthranilic_acid,bmse000067,5,120.6937,11.1
13591,anthranilic_acid,bmse000067,6,120.3926,11.42
13592,L_arabitol,bmse000068,1,73.609,12.5
13593,L_arabitol,bmse000068,2,73.1399,11.93
13594,L_arabitol,bmse000068,3,72.9514,12.49
13595,L_arabitol,bmse000068,4,65.7296,10.81
13596,L_arabitol,bmse000068,5,65.6383,9.86
13597,ATP,bmse000006,1,158.2621,4.05
13598,ATP,bmse000006,2,155.4997,9.32
13599,ATP,bmse000006,3,151.7848,3.62
13606,ATP,bmse000006,10,72.9427,11.75
13607,ATP,bmse000006,11,67.8017,4.32
13608,ATP,bmse000006,12,67.7473,4.42
13609,betaine,bmse000069,1,171.9654,1.21
13610,betaine,bmse000069,2,68.893,3.07
13611,betaine,bmse000069,3,68.8587,3.29
13612,betaine,bmse000069,4,68.8297,3.27
13613,betaine,bmse000069,5,56.0898,10.14
13614,betaine,bmse000069,6,56.0509,12.5
13615,betaine,bmse000069,7,56.0118,10.21
13616,betaine_aldehyde,bmse000070,1,87.5694,9.74
13617,betaine_aldehyde,bmse000070,2,56.9587,10.45
13618,betaine_aldehyde,bmse000070,3,56.9195,12.5
13619,betaine_aldehyde,bmse000070,4,56.8886,11.17
13620,cadaverine,bmse000072,1,41.871,11.66
13621,cadaverine,bmse000072,2,28.9617,12.5
13622,cadaverine,bmse000072,3,25.3762,5.64
13623,cAMP,bmse000071,1,158.0318,4.3
13624,cAMP,bmse000071,2,155.524,10.63
13625,cAMP,bmse000071,3,150.7719,4.62
13626,cAMP,bmse000071,4,142.3466,9.68
13627,cAMP,bmse000071,5,121.2041,3.29
13628,cAMP,bmse000071,6,94.2109,12.5
13629,cAMP,bmse000071,7,80.0206,6.2
13630,cAMP,bmse000071,8,79.9754,6.98
13631,cAMP,bmse000071,9,75.0214,7.05
13632,cAMP,bmse000071,10,74.9418,7.25
13633,cAMP,bmse000071,11,74.463,6.46
13634,cAMP,bmse000071,12,70.0836,5.58
13635,cAMP,bmse000071,13,70.0142,5.05
13636,L_canavanine,bmse000073,1,177.0117,3.9
13637,L_canavanine,bmse000073,2,161.2671,2
13638,L_canavanine,bmse000073,3,74.5403,11.99
13639,L_canavanine,bmse000073,4,55.2855,12.02
13640,L_canavanine,bmse000073,5,31.809,12.5
13641,D_carnitine,bmse000074,1,180.7779,2.25
13642,D_carnitine,bmse000074,2,72.8193,4.47
13643,D_carnitine,bmse000074,3,72.7942,3.83
13644,D_carnitine,bmse000074,4,66.791,9.37
13645,D_carnitine,bmse000074,5,56.8328,10.48
13646,D_carnitine,bmse000074,6,56.7941,12.5
13647,D_carnitine,bmse000074,7,56.7554,10.44
13648,D_carnitine,bmse000074,8,45.6802,6.79
13649,chorismic_acid,bmse000075,1,155.9825,4.51
13650,chorismic_acid,bmse000075,2,137.1007,3.63
13651,chorismic_acid,bmse000075,3,132.6303,11.7
13652,chorismic_acid,bmse000075,4,131.7674,9.54
13653,chorismic_acid,bmse000075,5,126.7891,9.9
13654,chorismic_acid,bmse000075,6,95.5643,8.84
13655,chorismic_acid,bmse000075,7,82.3153,12.5
13656,chorismic_acid,bmse000075,8,72.8256,12.45
13657,citrate,bmse000076,1,184.7215,1.13
13658,citrate,bmse000076,2,182.0353,2.11
13659,citrate,bmse000076,3,77.9249,1.44
13660,citrate,bmse000076,4,48.4023,12.5
13661,coumarin,bmse000077,1,163.4646,0.72
13662,coumarin,bmse000077,2,156.7265,1.12
13663,coumarin,bmse000077,3,146.1206,6.54
13664,coumarin,bmse000077,4,134.5133,12.5
13665,coumarin,bmse000077,5,130.5441,8.87
13666,coumarin,bmse000077,6,127.1083,11.93
13667,coumarin,bmse000077,7,121.5098,1.08
13668,coumarin,bmse000077,8,119.5804,6.82
13669,coumarin,bmse000077,9,119.3784,7.14
13670,creatine,bmse000078,1,177.3494,1.87
13671,creatine,bmse000078,2,56.549,12.5
13672,creatine,bmse000078,3,39.6249,7.16
13673,creatine_phosphate,bmse000079,1,177.5977,1.69
13674,creatine_phosphate,bmse000079,2,56.5658,12.5
13675,creatine_phosphate,bmse000079,3,39.5149,7.02
13676,dehydro_proline,bmse000080,1,174.9837,1.15
13677,dehydro_proline,bmse000080,2,128.3998,11.9
13678,dehydro_proline,bmse000080,3,128.1163,10.28
13679,dehydro_proline,bmse000080,4,71.129,8.12
13680,dehydro_proline,bmse000080,5,55.1054,12.5
13681,D_3_phosphoglyceric_acid,bmse000007,1,181.5589,4.18
13682,D_3_phosphoglyceric_acid,bmse000007,2,75.6758,11.64
13683,D_3_phosphoglyceric_acid,bmse000007,3,75.5997,9.71
13684,D_3_phosphoglyceric_acid,bmse000007,4,69.5144,10.45
13685,D_3_phosphoglyceric_acid,bmse000007,5,69.4639,12.5
13686,D_fructose_1_6_bisphosphate,bmse000011,1,107.7441,1.24
13687,D_fructose_1_6_bisphosphate,bmse000011,2,107.6859,1.45
13688,D_fructose_1_6_bisphosphate,bmse000011,3,103.7998,2.79
13689,D_fructose_1_6_bisphosphate,bmse000011,4,103.7169,2.58
13690,D_fructose_1_6_bisphosphate,bmse000011,5,84.7524,1.84
13691,D_fructose_1_6_bisphosphate,bmse000011,6,84.6734,1.8
13692,D_fructose_1_6_bisphosphate,bmse000011,7,84.1618,3.88
13693,D_fructose_1_6_bisphosphate,bmse000011,8,82.4331,4.33
13694,D_fructose_1_6_bisphosphate,bmse000011,9,82.3517,4.54
13695,D_fructose_1_6_bisphosphate,bmse000011,10,79.436,3.58
13696,D_fructose_1_6_bisphosphate,bmse000011,11,78.4857,12.5
13697,D_fructose_1_6_bisphosphate,bmse000011,12,76.8309,8.44
13698,D_fructose_1_6_bisphosphate,bmse000011,13,68.3534,4.96
13699,D_fructose_1_6_bisphosphate,bmse000011,14,67.3714,1.78
13700,D_fructose_1_6_bisphosphate,bmse000011,15,67.0519,6.07
13701,D_fructose_1_6_bisphosphate,bmse000011,16,67.0078,5.96
13702,D_fructose_1_6_bisphosphate,bmse000011,17,66.9036,2.2
13703,D_fructose_1_6_bisphosphate,bmse000011,18,66.8591,2.2
13704,D_fructose_6_phosphate,bmse000012,1,107.1352,1.18
13705,D_fructose_6_phosphate,bmse000012,2,104.1799,5.96
13706,D_fructose_6_phosphate,bmse000012,3,84.4579,2.69
13707,D_fructose_6_phosphate,bmse000012,4,83.1582,1.38
13708,D_fructose_6_phosphate,bmse000012,5,83.081,1.12
13709,D_fructose_6_phosphate,bmse000012,6,82.6592,6.1
13710,D_fructose_6_phosphate,bmse000012,7,82.5783,5.8
13711,D_fructose_6_phosphate,bmse000012,8,78.536,2.85
13712,D_fructose_6_phosphate,bmse000012,9,77.8697,12.5
13713,D_fructose_6_phosphate,bmse000012,10,77.0604,11.73
13714,D_fructose_6_phosphate,bmse000012,11,67.0498,5.65
13715,D_fructose_6_phosphate,bmse000012,12,67.0041,5.36
13716,D_fructose_6_phosphate,bmse000012,13,66.1661,1.42
13717,D_fructose_6_phosphate,bmse000012,14,65.5593,2.38
13718,D_fructose_6_phosphate,bmse000012,15,65.331,9.82
13719,D_glucosamine,bmse000014,1,96.4205,8.72
13720,D_glucosamine,bmse000014,2,92.2506,9.77
13721,D_glucosamine,bmse000014,3,78.8513,9.64
13722,D_glucosamine,bmse000014,4,75.5831,6.35
13723,D_glucosamine,bmse000014,5,74.3295,12.27
13724,D_glucosamine,bmse000014,6,72.756,10.13
13725,D_glucosamine,bmse000014,7,72.4003,6.63
13726,D_glucosamine,bmse000014,8,72.3164,12.5
13727,D_glucosamine,bmse000014,9,63.2588,6.09
13728,D_glucosamine,bmse000014,10,63.0618,8.38
13729,D_glucosamine,bmse000014,11,59.6201,8.02
13730,D_glucosamine,bmse000014,12,57.0959,11.82
13731,D_glucose_6_phosphate,bmse000016,1,98.7788,8.55
13732,D_glucose_6_phosphate,bmse000016,2,94.9276,4.89
13733,D_glucose_6_phosphate,bmse000016,3,78.1764,4.82
13734,D_glucose_6_phosphate,bmse000016,4,78.106,3.56
13735,D_glucose_6_phosphate,bmse000016,5,77.9455,6.69
13736,D_glucose_6_phosphate,bmse000016,6,76.9831,9.41
13737,D_glucose_6_phosphate,bmse000016,7,75.0341,3.92
13738,D_glucose_6_phosphate,bmse000016,8,74.314,4.27
13739,D_glucose_6_phosphate,bmse000016,9,73.8171,2.12
13740,D_glucose_6_phosphate,bmse000016,10,73.7484,2.83
13741,D_glucose_6_phosphate,bmse000016,11,71.7635,12.5
13742,D_glucose_6_phosphate,bmse000016,12,65.5737,3.84
13743,D_glucose_6_phosphate,bmse000016,13,65.5308,3.24
13744,D_glucose_6_phosphate,bmse000016,14,65.4799,2.31
13745,D_maltose,bmse000017,1,102.3099,6.16
13746,D_maltose,bmse000017,2,102.2275,9.38
13747,D_maltose,bmse000017,3,98.4704,10.34
13748,D_maltose,bmse000017,4,94.5912,6.33
13749,D_maltose,bmse000017,5,79.5285,5.17
13750,D_maltose,bmse000017,6,79.3217,8.47
13751,D_maltose,bmse000017,7,78.9276,9.15
13752,D_maltose,bmse000017,8,77.2648,10.83
13753,D_maltose,bmse000017,9,76.7045,8.61
13754,D_maltose,bmse000017,10,75.9471,5.48
13755,D_maltose,bmse000017,11,75.5584,7.84
13756,D_maltose,bmse000017,12,75.5345,10.55
13757,D_maltose,bmse000017,13,75.3859,9.92
13758,D_maltose,bmse000017,14,74.4492,5.89
13759,D_maltose,bmse000017,15,74.3558,8.17
13760,D_maltose,bmse000017,16,73.9924,5.77
13761,D_maltose,bmse000017,17,72.6486,6.16
13762,D_maltose,bmse000017,18,72.0198,8.44
13763,D_maltose,bmse000017,19,63.4361,6.09
13764,D_maltose,bmse000017,20,63.2871,4.41
13765,D_maltose,bmse000017,21,63.1596,12.5
13766,D_ornithine,bmse000019,1,56.8208,12.5
13767,D_ornithine,bmse000019,2,41.5722,10.12
13768,D_ornithine,bmse000019,3,30.1825,12.11
13769,D_ornithine,bmse000019,4,25.4604,8.77
13770,D_threo_isocitric_acid,bmse000025,1,183.683,6.79
13771,D_threo_isocitric_acid,bmse000025,2,182.958,3.11
13772,D_threo_isocitric_acid,bmse000025,3,76.3916,11.16
13773,D_threo_isocitric_acid,bmse000025,4,51.8047,12.5
13774,D_threo_isocitric_acid,bmse000025,5,40.3285,10.98
13775,D_xylulose,bmse000027,1,108.4502,1.01
13776,D_xylulose,bmse000027,2,105.6511,3.08
13777,D_xylulose,bmse000027,3,83.18,3.1
13778,D_xylulose,bmse000027,4,78.9065,11.61
13779,D_xylulose,bmse000027,5,78.5426,3.96
13780,D_xylulose,bmse000027,6,78.011,2.93
13781,D_xylulose,bmse000027,7,77.5565,9.89
13782,D_xylulose,bmse000027,8,74.6749,2.45
13783,D_xylulose,bmse000027,9,74.6163,2.47
13784,D_xylulose,bmse000027,10,72.5201,10.76
13785,D_xylulose,bmse000027,11,68.7345,3.03
13786,D_xylulose,bmse000027,12,65.6799,12.5
13787,D_xylulose,bmse000027,13,65.1062,3.07
13788,D_xylulose,bmse000027,14,64.5556,3.06
13789,fumaric_acid,bmse000083,1,177.424,1.91
13790,fumaric_acid,bmse000083,2,138.042,12.5
13791,gluconic_acid,bmse000084,1,181.3386,1.89
13792,gluconic_acid,bmse000084,2,76.7743,10.33
13793,gluconic_acid,bmse000084,3,75.2613,9.8
13794,gluconic_acid,bmse000084,4,73.8705,12.36
13795,gluconic_acid,bmse000084,5,73.6525,10.2
13796,gluconic_acid,bmse000084,6,65.308,12.5
13797,alpha_D_glucose_1_phosphate,bmse000086,1,96.3867,5.99
13798,alpha_D_glucose_1_phosphate,bmse000086,2,96.3335,6.2
13799,alpha_D_glucose_1_phosphate,bmse000086,3,75.8391,10.34
13800,alpha_D_glucose_1_phosphate,bmse000086,4,74.9392,5.94
13801,alpha_D_glucose_1_phosphate,bmse000086,5,74.871,6.51
13802,alpha_D_glucose_1_phosphate,bmse000086,6,74.7037,12.5
13803,alpha_D_glucose_1_phosphate,bmse000086,7,72.4482,11.49
13804,alpha_D_glucose_1_phosphate,bmse000086,8,63.3999,9.58
13805,alpha_D_glucose_1_6_bisphosphate,bmse000087,1,96.6014,6.13
13806,alpha_D_glucose_1_6_bisphosphate,bmse000087,2,96.5465,7.96
13807,alpha_D_glucose_1_6_bisphosphate,bmse000087,3,75.3449,11.03
13808,alpha_D_glucose_1_6_bisphosphate,bmse000087,4,75.0612,6.57
13809,alpha_D_glucose_1_6_bisphosphate,bmse000087,5,74.9873,7.68
13810,alpha_D_glucose_1_6_bisphosphate,bmse000087,6,74.3802,6.65
13811,alpha_D_glucose_1_6_bisphosphate,bmse000087,7,74.317,7.4
13812,alpha_D_glucose_1_6_bisphosphate,bmse000087,8,71.5781,12.5
13813,alpha_D_glucose_1_6_bisphosphate,bmse000087,9,65.3993,4.84
13814,alpha_D_glucose_1_6_bisphosphate,bmse000087,10,65.3536,5.06
13815,glycine,bmse000089,1,175.1557,1.97
13816,glycine,bmse000089,2,44.1252,12.5
13817,guanine,bmse000090,1,170.3632,9.04
13818,guanine,bmse000090,2,163.6535,12.5
13819,guanine,bmse000090,3,161.8796,11.9
13820,guanine,bmse000090,4,120.9619,9.12
13821,guanosine,bmse000091,1,170.5025,1.71
13822,guanosine,bmse000091,2,163.3657,1.47
13823,guanosine,bmse000091,3,153.5645,2.67
13824,guanosine,bmse000091,4,139.3656,9.14
13825,guanosine,bmse000091,5,121.0084,1.46
13826,guanosine,bmse000091,6,90.841,11.95
13827,guanosine,bmse000091,7,88.5938,12.21
13828,guanosine,bmse000091,8,75.8197,12.21
13829,guanosine,bmse000091,9,73.7609,12.5
13830,guanosine,bmse000091,10,64.5009,9.96
13831,4_hydroxybenzoic_acid,bmse000092,1,161.2131,1.26
13832,4_hydroxybenzoic_acid,bmse000092,2,133.942,12.5
13833,4_hydroxybenzoic_acid,bmse000092,3,130.8287,1.62
13834,4_hydroxybenzoic_acid,bmse000092,4,117.592,10.22
13835,trans_3_hydroxycinnamic_acid,bmse000093,1,178.4192,2.27
13836,trans_3_hydroxycinnamic_acid,bmse000093,2,158.5422,3.6
13837,trans_3_hydroxycinnamic_acid,bmse000093,3,143.1901,8.95
13838,trans_3_hydroxycinnamic_acid,bmse000093,4,139.6042,3.48
13839,trans_3_hydroxycinnamic_acid,bmse000093,5,133.0298,11.46
13840,trans_3_hydroxycinnamic_acid,bmse000093,6,127.174,8.41
13841,trans_3_hydroxycinnamic_acid,bmse000093,7,122.9365,12.5
13842,trans_3_hydroxycinnamic_acid,bmse000093,8,119.3249,10.36
13843,trans_3_hydroxycinnamic_acid,bmse000093,9,116.6163,10.36
13844,hypoxanthine,bmse000094,1,164.9523,1.17
13845,hypoxanthine,bmse000094,2,159.7264,2.08
13846,hypoxanthine,bmse000094,3,150.37,10.69
13847,hypoxanthine,bmse000094,4,149.1756,12.5
13848,hypoxanthine,bmse000094,5,123.2364,1.06
13849,imidazole,bmse000096,1,137.7708,3.03
13850,imidazole,bmse000096,2,123.4233,12.5
13851,indole,bmse000097,1,138.3981,1.25
13852,indole,bmse000097,2,130.4755,1.24
13853,indole,bmse000097,3,126.7831,8.65
13854,indole,bmse000097,4,124.6229,12.5
13855,indole,bmse000097,5,123.3758,10.66
13856,indole,bmse000097,6,122.4493,10.48
13857,indole,bmse000097,7,113.6756,9.74
13858,indole,bmse000097,8,105.2378,11.58
13859,inosine,bmse000098,1,151.078,2.3
13860,inosine,bmse000098,2,148.9185,8.98
13861,inosine,bmse000098,3,142.8874,7.4
13862,inosine,bmse000098,4,126.8411,1.65
13863,inosine,bmse000098,5,91.1086,8.08
13864,inosine,bmse000098,6,88.2694,11.43
13865,inosine,bmse000098,7,76.7759,12.5
13866,inosine,bmse000098,8,73.0828,10.32
13867,inosine,bmse000098,9,64.0173,8.72
13868,i_erythritol,bmse000095,1,74.6148,12.5
13869,i_erythritol,bmse000095,2,65.3077,8.45
13870,L_alanine,bmse000028,1,178.5574,1.16
13871,L_alanine,bmse000028,2,53.2035,9.48
13872,L_alanine,bmse000028,3,18.8465,12.5
13873,L_arginine,bmse000029,1,177.2125,3.21
13874,L_arginine,bmse000029,2,57.0216,10.14
13875,L_arginine,bmse000029,3,43.2011,12.5
13876,L_arginine,bmse000029,4,30.2885,11.19
13877,L_arginine,bmse000029,5,26.5758,9.54
13878,L_asparagine,bmse000030,1,177.1771,1.47
13879,L_asparagine,bmse000030,2,176.209,1.94
13880,L_asparagine,bmse000030,3,53.9932,12.5
13881,L_asparagine,bmse000030,4,37.2983,11.26
13882,L_aspartic_acid,bmse000031,1,180.297,3.41
13883,L_aspartic_acid,bmse000031,2,176.9954,2.67
13884,L_aspartic_acid,bmse000031,3,54.9142,11.68
13885,L_aspartic_acid,bmse000031,4,39.2604,12.5
13886,L_citrulline,bmse000032,1,177.3878,3.15
13887,L_citrulline,bmse000032,2,164.2805,1.25
13888,L_citrulline,bmse000032,3,57.2048,11.84
13889,L_citrulline,bmse000032,4,41.9551,1.88
13890,L_citrulline,bmse000032,5,30.4444,12.5
13891,L_citrulline,bmse000032,6,27.6682,7.93
13892,L_cystathionine,bmse000033,1,56.4392,8
13893,L_cystathionine,bmse000033,2,56.2614,10.81
13894,L_cystathionine,bmse000033,3,34.8058,9.84
13895,L_cystathionine,bmse000033,4,32.8913,9.2
13896,L_cystathionine,bmse000033,5,29.7625,12.5
13897,L_cysteine,bmse000034,1,58.731,9.48
13898,L_cysteine,bmse000034,2,27.687,12.5
13899,L_cystine,bmse000035,1,183.331,3.03
13900,L_cystine,bmse000035,2,57.5783,12.5
13901,L_cystine,bmse000035,3,46.0281,10.99
13902,L_fucose,bmse000036,1,98.936,11.78
13903,L_fucose,bmse000036,2,94.9206,4.76
13904,L_fucose,bmse000036,3,75.6252,9.59
13905,L_fucose,bmse000036,4,74.6014,4.86
13906,L_fucose,bmse000036,5,74.3627,10.92
13907,L_fucose,bmse000036,6,74.1543,8.8
13908,L_fucose,bmse000036,7,73.586,9.85
13909,L_fucose,bmse000036,8,71.9701,4.6
13910,L_fucose,bmse000036,9,70.7832,3.67
13911,L_fucose,bmse000036,10,69.0314,4.4
13912,L_fucose,bmse000036,11,18.2232,12.5
13913,L_glutamic_acid,bmse000037,1,184.0438,2.16
13914,L_glutamic_acid,bmse000037,2,177.297,1.79
13915,L_glutamic_acid,bmse000037,3,57.3356,12.29
13916,L_glutamic_acid,bmse000037,4,36.1753,9.58
13917,L_glutamic_acid,bmse000037,5,29.6742,12.5
13918,L_glutamine,bmse000038,1,180.3694,1.86
13919,L_glutamine,bmse000038,2,176.8264,2.47
13920,L_glutamine,bmse000038,3,56.8326,9.96
13921,L_glutamine,bmse000038,4,33.528,10.99
13922,L_glutamine,bmse000038,5,28.9528,12.5
13923,L_histidine,bmse000039,1,176.6511,1.83
13924,L_histidine,bmse000039,2,138.9728,9.16
13925,L_histidine,bmse000039,3,134.6686,2.25
13926,L_histidine,bmse000039,4,119.5492,8.47
13927,L_histidine,bmse000039,5,57.4737,12.5
13928,L_histidine,bmse000039,6,30.7804,11.71
13929,L_homoserine,bmse000040,1,177.2374,1.7
13930,L_homoserine,bmse000040,2,61.3363,12.5
13931,L_homoserine,bmse000040,3,56.0719,8.39
13932,L_homoserine,bmse000040,4,34.8823,11.17
13933,L_isoleucine,bmse000041,1,176.9223,1.89
13934,L_isoleucine,bmse000041,2,62.2493,12.5
13935,L_isoleucine,bmse000041,3,38.5957,9.56
13936,L_isoleucine,bmse000041,4,27.1531,12.15
13937,L_isoleucine,bmse000041,5,17.3893,8.4
13938,L_isoleucine,bmse000041,6,13.8035,7.76
13939,L_leucine,bmse000042,1,178.3284,2.9
13940,L_leucine,bmse000042,2,56.1175,11.06
13941,L_leucine,bmse000042,3,42.5151,11.41
13942,L_leucine,bmse000042,4,26.8579,12.5
13943,L_leucine,bmse000042,5,24.7283,9.43
13944,L_leucine,bmse000042,6,23.5808,12.45
13945,L_lysine,bmse000043,1,177.4077,2.58
13946,L_lysine,bmse000043,2,57.1969,9.77
13947,L_lysine,bmse000043,3,41.7595,10.04
13948,L_lysine,bmse000043,4,32.6068,10.59
13949,L_lysine,bmse000043,5,29.1125,12.5
13950,L_lysine,bmse000043,6,24.1325,10.95
13951,malic_acid,bmse000046,1,183.7669,2.25
13952,malic_acid,bmse000046,2,182.5706,2
13953,malic_acid,bmse000046,3,73.0495,9.52
13954,malic_acid,bmse000046,4,45.3174,12.5
13955,L_methionine,bmse000044,1,177.0256,1.63
13956,L_methionine,bmse000044,2,56.5949,11.7
13957,L_methionine,bmse000044,3,32.3948,11.02
13958,L_methionine,bmse000044,4,31.5117,12.5
13959,L_methionine,bmse000044,5,16.6207,5.66
13960,L_phenylalanine,bmse000045,1,137.8245,2.32
13961,L_phenylalanine,bmse000045,2,132.08,12.5
13962,L_phenylalanine,bmse000045,3,131.8234,9.6
13963,L_phenylalanine,bmse000045,4,130.4017,5.37
13964,L_phenylalanine,bmse000045,5,58.7477,5.25
13965,L_phenylalanine,bmse000045,6,39.0993,5.55
13966,L_proline,bmse000047,1,177.4144,1.3
13967,L_proline,bmse000047,2,63.9229,11.05
13968,L_proline,bmse000047,3,48.7631,9.32
13969,L_proline,bmse000047,4,31.6863,12.5
13970,L_proline,bmse000047,5,26.4548,9.6
13971,L_serine,bmse000048,1,62.8928,12.5
13972,L_serine,bmse000048,2,59.0815,8.62
13973,L_threonine,bmse000049,1,175.6411,1.16
13974,L_threonine,bmse000049,2,68.6408,12.03
13975,L_threonine,bmse000049,3,63.1368,12.5
13976,L_threonine,bmse000049,4,22.1352,12.2
13977,L_tryptophan,bmse000050,1,177.255,2.71
13978,L_tryptophan,bmse000050,2,139.0401,1.59
13979,L_tryptophan,bmse000050,3,129.3512,1.89
13980,L_tryptophan,bmse000050,4,127.7463,10.84
13981,L_tryptophan,bmse000050,5,124.8346,12.27
13982,L_tryptophan,bmse000050,6,122.1638,12.5
13983,L_tryptophan,bmse000050,7,121.1566,12.38
13984,L_tryptophan,bmse000050,8,114.6587,10.23
13985,L_tryptophan,bmse000050,9,110.1782,4.04
13986,L_tryptophan,bmse000050,10,57.7537,11.28
13987,L_tryptophan,bmse000050,11,29.1016,11.57
13988,L_tyrosine,bmse000051,1,184.1279,1.35
13989,L_tyrosine,bmse000051,2,163.7886,1.13
13990,L_tyrosine,bmse000051,3,133.3998,10.61
13991,L_tyrosine,bmse000051,4,128.0459,2.21
13992,L_tyrosine,bmse000051,5,120.2955,12.5
13993,L_tyrosine,bmse000051,6,60.0412,5.12
13994,L_tyrosine,bmse000051,7,41.8233,4.45
13995,L_valine,bmse000052,1,63.0706,10.1
13996,L_valine,bmse000052,2,31.7958,11.73
13997,L_valine,bmse000052,3,20.6547,12.29
13998,L_valine,bmse000052,4,19.3267,12.5
13999,D_mannitol,bmse000099,1,73.4901,12.5
14000,D_mannitol,bmse000099,2,71.9258,8.62
14001,D_mannitol,bmse000099,3,65.9197,11.81
14002,meso_erythritol,bmse000100,1,74.6159,12.5
14003,meso_erythritol,bmse000100,2,65.309,8.37
14004,methyl_oxobutanoic_acid,bmse000101,1,39.7045,5.48
14005,methyl_oxobutanoic_acid,bmse000101,2,19.0607,12.5
14006,muco_inositol,bmse000102,1,75.0137,6.8
14007,muco_inositol,bmse000102,2,72.8728,12.5
14008,myo_inositol,bmse000103,1,77.0519,5.9
14009,myo_inositol,bmse000103,2,75.1054,12.5
14010,myo_inositol,bmse000103,3,74.8867,4.4
14011,myo_inositol,bmse000103,4,73.8316,10.8
14012,NAD,bmse000053,1,167.8653,3.69
14013,NAD,bmse000053,2,158.0181,4.21
14014,NAD,bmse000053,3,155.468,8.5
14015,NAD,bmse000053,4,151.5966,5.8
14016,NAD,bmse000053,5,148.4441,6.77
14017,NAD,bmse000053,6,145.0618,5.64
14018,NAD,bmse000053,7,142.6338,5.11
14019,NAD,bmse000053,8,142.3914,7.13
14020,NAD,bmse000053,9,136.3277,6.28
14021,NAD,bmse000053,10,131.3233,7.72
14022,NAD,bmse000053,11,121.0165,3.15
14023,NAD,bmse000053,12,102.7367,9.04
14024,NAD,bmse000053,13,89.7361,5.45
14025,NAD,bmse000053,14,89.6488,5.15
14026,NAD,bmse000053,15,89.3547,10.54
14027,NAD,bmse000053,16,86.5859,5.25
14028,NAD,bmse000053,17,86.4979,5.24
14029,NAD,bmse000053,18,80.3065,12.5
14030,NAD,bmse000053,19,76.6526,12.24
14031,NAD,bmse000053,20,73.2929,11.75
14032,NAD,bmse000053,21,73.0829,11.48
14033,NAD,bmse000053,22,68.1579,4.36
14034,NAD,bmse000053,23,68.1059,4.27
14035,NAD,bmse000053,24,67.6491,4.7
14036,NAD,bmse000053,25,67.5973,4.24
14037,NADH,bmse000054,1,175.3474,5.48
14038,NADH,bmse000054,2,158.1968,4.24
14039,NADH,bmse000054,3,155.4171,8.83
14040,NADH,bmse000054,4,151.5844,5.71
14041,NADH,bmse000054,5,142.3515,6.8
14042,NADH,bmse000054,6,141.1257,9.71
14043,NADH,bmse000054,7,126.4094,7.79
14044,NADH,bmse000054,8,121.2963,4.16
14045,NADH,bmse000054,9,108.0387,9.52
14046,NADH,bmse000054,10,102.5371,7.01
14047,NADH,bmse000054,11,97.7448,9.22
14048,NADH,bmse000054,12,89.7936,11.06
14049,NADH,bmse000054,13,86.3582,5.51
14050,NADH,bmse000054,14,85.0981,5.6
14051,NADH,bmse000054,15,77.2518,12.23
14052,NADH,bmse000054,16,73.4643,12.14
14053,NADH,bmse000054,17,73.2824,12.5
14054,NADH,bmse000054,18,72.9239,9.04
14055,NADH,bmse000054,19,68.6321,4.65
14056,NADH,bmse000054,20,67.8556,4.52
14057,NADH,bmse000054,21,24.5551,8.23
14058,NADH,bmse000054,22,19.5029,3.45
14059,NADPH,bmse000055,1,175.4549,3.91
14060,NADPH,bmse000055,2,158.2562,4.4
14061,NADPH,bmse000055,3,155.3726,8.4
14062,NADPH,bmse000055,4,151.6612,4.78
14063,NADPH,bmse000055,5,142.7666,6.52
14064,NADPH,bmse000055,6,141.0746,8.37
14065,NADPH,bmse000055,7,126.4637,8.6
14066,NADPH,bmse000055,8,108.0154,8.41
14067,NADPH,bmse000055,9,102.5834,6.37
14068,NADPH,bmse000055,10,97.6847,9.4
14069,NADPH,bmse000055,11,89.5671,4.71
14070,NADPH,bmse000055,12,89.4832,4.7
14071,NADPH,bmse000055,13,85.6232,4.52
14072,NADPH,bmse000055,14,85.136,4.45
14073,NADPH,bmse000055,15,79.2632,4.94
14074,NADPH,bmse000055,16,73.4756,12.5
14075,NADPH,bmse000055,17,73.324,11.5
14076,NADPH,bmse000055,18,72.7309,8.21
14077,NADPH,bmse000055,19,68.5416,4.39
14078,NADPH,bmse000055,20,67.9571,5.25
14079,NADPH,bmse000055,21,24.6213,6.74
14080,niacin,bmse000104,1,176.0593,0.88
14081,niacin,bmse000104,2,153.1473,12.5
14082,niacin,bmse000104,3,151.7346,9.43
14083,niacin,bmse000104,4,140.3918,11.16
14084,niacin,bmse000104,5,135.0395,2.37
14085,niacin,bmse000104,6,126.6461,10.94
14086,nicotine,bmse000105,1,152.9553,11.86
14087,nicotine,bmse000105,2,151.8079,8.39
14088,nicotine,bmse000105,3,139.9786,11.24
14089,nicotine,bmse000105,4,132.2848,2.82
14090,nicotine,bmse000105,5,127.6138,11.08
14091,nicotine,bmse000105,6,72.3903,8.23
14092,nicotine,bmse000105,7,58.7754,9.8
14093,nicotine,bmse000105,8,40.9138,11.41
14094,nicotine,bmse000105,9,33.0757,8.96
14095,nicotine,bmse000105,10,24.2203,12.5
14096,N_acetylneuraminic_acid,bmse000057,1,179.4931,2.99
14097,N_acetylneuraminic_acid,bmse000057,2,177.4691,5.36
14098,N_acetylneuraminic_acid,bmse000057,3,99.1066,6.81
14099,N_acetylneuraminic_acid,bmse000057,4,73.0136,10.35
14100,N_acetylneuraminic_acid,bmse000057,5,72.9084,11.02
14101,N_acetylneuraminic_acid,bmse000057,6,71.2583,9.48
14102,N_acetylneuraminic_acid,bmse000057,7,70.0063,10.08
14103,N_acetylneuraminic_acid,bmse000057,8,66.0063,10.13
14104,N_acetylneuraminic_acid,bmse000057,9,54.9693,12.5
14105,N_acetylneuraminic_acid,bmse000057,10,42.0905,8.84
14106,N_acetylneuraminic_acid,bmse000057,11,24.8195,11.34
14107,N_acetyl_D_mannosamine,bmse000056,1,178.4248,1.93
14108,N_acetyl_D_mannosamine,bmse000056,2,177.4968,2.6
14109,N_acetyl_D_mannosamine,bmse000056,3,95.8209,8.31
14110,N_acetyl_D_mannosamine,bmse000056,4,95.688,9.13
14111,N_acetyl_D_mannosamine,bmse000056,5,79.0399,10.23
14112,N_acetyl_D_mannosamine,bmse000056,6,74.7525,9.08
14113,N_acetyl_D_mannosamine,bmse000056,7,74.6939,8.91
14114,N_acetyl_D_mannosamine,bmse000056,8,71.5593,11.26
14115,N_acetyl_D_mannosamine,bmse000056,9,69.4618,11.11
14116,N_acetyl_D_mannosamine,bmse000056,10,69.1894,8.23
14117,N_acetyl_D_mannosamine,bmse000056,11,63.0714,12.5
14118,N_acetyl_D_mannosamine,bmse000056,12,56.7834,6.76
14119,N_acetyl_D_mannosamine,bmse000056,13,55.9143,11.74
14120,N_acetyl_D_mannosamine,bmse000056,14,24.7467,6.42
14121,N_acetyl_D_mannosamine,bmse000056,15,24.6103,7.83
14122,oxalate,bmse000106,1,176.1386,12.5
14123,O_succinyl_L_homoserine,bmse000058,1,183.8863,2.56
14124,O_succinyl_L_homoserine,bmse000058,2,178.3647,2.14
14125,O_succinyl_L_homoserine,bmse000058,3,176.7702,2.64
14126,O_succinyl_L_homoserine,bmse000058,4,64.4599,9.53
14127,O_succinyl_L_homoserine,bmse000058,5,55.5165,8.79
14128,O_succinyl_L_homoserine,bmse000058,6,35.6935,1.47
14129,O_succinyl_L_homoserine,bmse000058,7,34.6435,11.39
14130,O_succinyl_L_homoserine,bmse000058,8,33.1998,12.5
14131,O_succinyl_L_homoserine,bmse000058,9,32.0477,7.9
14132,phosphoenolpyruvic_acid,bmse000107,1,152.4983,4.37
14133,phosphoenolpyruvic_acid,bmse000107,2,152.4267,2.42
14134,phosphoenolpyruvic_acid,bmse000107,3,102.8677,10.91
14135,phosphoenolpyruvic_acid,bmse000107,4,102.8401,12.5
14136,prephenic_acid,bmse000108,1,134.012,12.19
14137,prephenic_acid,bmse000108,2,130.3553,12.5
14138,prephenic_acid,bmse000108,3,64.0727,7.77
14139,prephenic_acid,bmse000108,4,51.2462,2.5
14140,prephenic_acid,bmse000108,5,50.6545,5.86
14141,putrescine,bmse000109,1,41.551,11.73
14142,putrescine,bmse000109,2,26.5984,12.5
14143,pyridoxal,bmse000110,1,161.5671,1.78
14144,pyridoxal,bmse000110,2,148.0785,2.3
14145,pyridoxal,bmse000110,3,140.9568,3.28
14146,pyridoxal,bmse000110,4,139.5279,4.52
14147,pyridoxal,bmse000110,5,120.0727,6.07
14148,pyridoxal,bmse000110,6,102.0212,10.48
14149,pyridoxal,bmse000110,7,72.5072,12.5
14150,pyridoxal,bmse000110,8,17.5108,7.09
14151,pyridoxal_5_phosphate,bmse000111,1,198.7901,4.06
14152,pyridoxal_5_phosphate,bmse000111,2,154.2739,7.56
14153,pyridoxal_5_phosphate,bmse000111,3,139.0553,2.73
14154,pyridoxal_5_phosphate,bmse000111,4,138.9802,2.7
14155,pyridoxal_5_phosphate,bmse000111,5,128.8539,3.48
14156,pyridoxal_5_phosphate,bmse000111,6,126.7748,3.24
14157,pyridoxal_5_phosphate,bmse000111,7,91.4524,2.95
14158,pyridoxal_5_phosphate,bmse000111,8,64.4322,9.86
14159,pyridoxal_5_phosphate,bmse000111,9,64.3954,7.79
14160,pyridoxal_5_phosphate,bmse000111,10,18.7125,12.5
14161,pyridoxal_5_phosphate,bmse000111,11,17.3618,2.26
14162,pyridoxamine,bmse000130,1,165.5851,1.63
14163,pyridoxamine,bmse000130,2,148.1236,2.38
14164,pyridoxamine,bmse000130,3,138.2661,5.06
14165,pyridoxamine,bmse000130,4,134.7636,2.63
14166,pyridoxamine,bmse000130,5,126.6506,8.52
14167,pyridoxamine,bmse000130,6,61.8257,9.73
14168,pyridoxamine,bmse000130,7,39.2287,12.5
14169,pyridoxamine,bmse000130,8,18.1093,10.27
14170,pyridoxamine_5_phosphate,bmse000131,1,165.6996,3.42
14171,pyridoxamine_5_phosphate,bmse000131,2,147.3396,4.49
14172,pyridoxamine_5_phosphate,bmse000131,3,137.5932,4.37
14173,pyridoxamine_5_phosphate,bmse000131,4,137.5201,3.66
14174,pyridoxamine_5_phosphate,bmse000131,5,135.8735,6.9
14175,pyridoxamine_5_phosphate,bmse000131,6,125.9833,8.38
14176,pyridoxamine_5_phosphate,bmse000131,7,64.3374,8.14
14177,pyridoxamine_5_phosphate,bmse000131,8,64.2962,7.45
14178,pyridoxamine_5_phosphate,bmse000131,9,38.955,12.5
14179,pyridoxamine_5_phosphate,bmse000131,10,17.7372,11.91
14180,scyllo_inositol,bmse000113,1,76.2821,12.5
14181,shikimic_acid,bmse000114,1,178.0757,1.84
14182,shikimic_acid,bmse000114,2,138.7121,3.69
14183,shikimic_acid,bmse000114,3,133.2065,8.63
14184,shikimic_acid,bmse000114,4,74.7462,8.91
14185,shikimic_acid,bmse000114,5,69.5201,11.73
14186,shikimic_acid,bmse000114,6,68.9871,12.5
14187,shikimic_acid,bmse000114,7,35.3685,8.86
14188,D_sorbitol,bmse000115,1,75.6364,11.8
14189,D_sorbitol,bmse000115,2,73.7844,11.91
14190,D_sorbitol,bmse000115,3,73.6628,11.46
14191,D_sorbitol,bmse000115,4,72.3478,12.5
14192,D_sorbitol,bmse000115,5,65.5074,7.86
14193,D_sorbitol,bmse000115,6,65.1126,9.65
14194,spermidine,bmse000116,1,49.7685,12.5
14195,spermidine,bmse000116,2,47.255,9.6
14196,spermidine,bmse000116,3,41.5152,10.94
14197,spermidine,bmse000116,4,39.2998,10.61
14198,spermidine,bmse000116,5,26.64,10.09
14199,spermidine,bmse000116,6,26.5227,9.51
14200,spermidine,bmse000116,7,25.4882,11.59
14201,spermine,bmse000117,1,50.4642,10.16
14202,spermine,bmse000117,2,48.3361,12.5
14203,spermine,bmse000117,3,40.6981,12.1
14204,spermine,bmse000117,4,30.823,7.1
14205,spermine,bmse000117,5,27.6835,10.97
14206,succinic_acid,bmse000118,1,185.1648,1.78
14207,succinic_acid,bmse000118,2,36.8897,12.5
14208,sucrose,bmse000119,1,106.3887,6.15
14209,sucrose,bmse000119,2,94.8829,11.39
14210,sucrose,bmse000119,3,84.0666,11.94
14211,sucrose,bmse000119,4,79.0967,11.54
14212,sucrose,bmse000119,5,76.6892,12.13
14213,sucrose,bmse000119,6,75.2562,11.56
14214,sucrose,bmse000119,7,75.107,12.4
14215,sucrose,bmse000119,8,73.7694,11.94
14216,sucrose,bmse000119,9,71.9114,12.5
14217,sucrose,bmse000119,10,65.0741,11.11
14218,sucrose,bmse000119,11,64.0305,10.38
14219,sucrose,bmse000119,12,62.8059,9.96
14220,S_adenosyl_L_methionine,bmse000059,1,177.2049,1.06
14221,S_adenosyl_L_methionine,bmse000059,2,175.5374,3.57
14222,S_adenosyl_L_methionine,bmse000059,3,158.2573,4.07
14223,S_adenosyl_L_methionine,bmse000059,4,158.1473,1.23
14224,S_adenosyl_L_methionine,bmse000059,5,155.5574,8.68
14225,S_adenosyl_L_methionine,bmse000059,6,155.4871,3.71
14226,S_adenosyl_L_methionine,bmse000059,7,154.9459,1.28
14227,S_adenosyl_L_methionine,bmse000059,8,151.4918,1.4
14228,S_adenosyl_L_methionine,bmse000059,9,151.3094,4.84
14229,S_adenosyl_L_methionine,bmse000059,10,143.3489,7.53
14230,S_adenosyl_L_methionine,bmse000059,11,142.6447,2.96
14231,S_adenosyl_L_methionine,bmse000059,12,121.7408,3.05
14232,S_adenosyl_L_methionine,bmse000059,13,91.8,12.5
14233,S_adenosyl_L_methionine,bmse000059,14,90.1262,1.08
14234,S_adenosyl_L_methionine,bmse000059,15,90.0407,3.67
14235,S_adenosyl_L_methionine,bmse000059,16,85.9474,3.7
14236,S_adenosyl_L_methionine,bmse000059,17,81.4782,2.83
14237,S_adenosyl_L_methionine,bmse000059,18,80.8642,9.06
14238,S_adenosyl_L_methionine,bmse000059,19,76.1774,4.19
14239,S_adenosyl_L_methionine,bmse000059,20,75.6933,3.46
14240,S_adenosyl_L_methionine,bmse000059,21,75.4417,10.55
14241,S_adenosyl_L_methionine,bmse000059,22,75.2896,11.21
14242,S_adenosyl_L_methionine,bmse000059,23,75.2102,3.9
14243,S_adenosyl_L_methionine,bmse000059,24,75.0576,4.66
14244,S_adenosyl_L_methionine,bmse000059,25,61.3914,4.52
14245,S_adenosyl_L_methionine,bmse000059,26,60.181,3.6
14246,S_adenosyl_L_methionine,bmse000059,27,56.1328,4.11
14247,S_adenosyl_L_methionine,bmse000059,28,55.5398,11.64
14248,S_adenosyl_L_methionine,bmse000059,29,55.4732,3.85
14249,S_adenosyl_L_methionine,bmse000059,30,51.6245,1.02
14250,S_adenosyl_L_methionine,bmse000059,31,47.0027,7.3
14251,S_adenosyl_L_methionine,bmse000059,32,41.6503,2.53
14252,S_adenosyl_L_methionine,bmse000059,33,41.5608,8
14253,S_adenosyl_L_methionine,bmse000059,34,39.296,1.04
14254,S_adenosyl_L_methionine,bmse000059,35,38.5747,3.27
14255,S_adenosyl_L_methionine,bmse000059,36,34.9032,4.07
14256,S_adenosyl_L_methionine,bmse000059,37,28.138,8.12
14257,S_adenosyl_L_methionine,bmse000059,38,27.9802,2.58
14258,S_adenosyl_L_methionine,bmse000059,39,26.5384,1.05
14259,S_adenosyl_L_methionine,bmse000059,40,26.4688,3.89
14260,S_adenosyl_L_methionine,bmse000059,41,26.1398,11.37
14261,S_adenosyl_L_methionine,bmse000059,42,19.5416,3.82
14262,S_adenosyl_L_methionine,bmse000059,43,18.0425,2.93
14263,taurine,bmse000120,1,50.2124,12.5
14264,taurine,bmse000120,2,38.0682,11.7
14265,L_threitol,bmse000121,1,74.3047,12.5
14266,L_threitol,bmse000121,2,65.3263,12.42
14267,trans_4_hydroxy_L_proline,bmse000123,1,177.0263,1.29
14268,trans_4_hydroxy_L_proline,bmse000123,2,72.7686,12.34
14269,trans_4_hydroxy_L_proline,bmse000123,3,62.5265,8.41
14270,trans_4_hydroxy_L_proline,bmse000123,4,55.643,12.5
14271,trans_4_hydroxy_L_proline,bmse000123,5,40.1298,9.82
14272,trans_cinnamic_acid,bmse000124,1,143.5556,4.31
14273,trans_cinnamic_acid,bmse000124,2,137.8775,1.34
14274,trans_cinnamic_acid,bmse000124,3,132.3324,6.15
14275,trans_cinnamic_acid,bmse000124,4,131.6902,9.94
14276,trans_cinnamic_acid,bmse000124,5,130.4135,12.5
14277,trans_cinnamic_acid,bmse000124,6,126.8267,3.92
14278,D_trehalose,bmse000125,1,95.9171,12.5
14279,D_trehalose,bmse000125,2,75.2081,11.88
14280,D_trehalose,bmse000125,3,74.8491,10.1
14281,D_trehalose,bmse000125,4,73.7422,9.97
14282,D_trehalose,bmse000125,5,72.3894,11.58
14283,D_trehalose,bmse000125,6,63.2132,8.55
14284,uric_acid,bmse000126,1,167.6653,6.04
14285,uric_acid,bmse000126,2,165.3393,12.5
14286,uric_acid,bmse000126,3,162.2146,6.72
14287,uric_acid,bmse000126,4,156.4958,8.87
14288,uric_acid,bmse000126,5,104.5779,6.55
14289,xanthine,bmse000127,1,163.3303,1.9
14290,xanthine,bmse000127,2,161.9958,1.23
14291,xanthine,bmse000127,3,158.0123,1.54
14292,xanthine,bmse000127,4,142.7225,12.5
14293,xanthine,bmse000127,5,116.2503,1.15
14294,xanthosine,bmse000128,1,163.7475,1.41
14295,xanthosine,bmse000128,2,162.2764,1.3
14296,xanthosine,bmse000128,3,155.8547,2.56
14297,xanthosine,bmse000128,4,140.0607,9.27
14298,xanthosine,bmse000128,5,118.2068,1.28
14299,xanthosine,bmse000128,6,90.6608,11.73
14300,xanthosine,bmse000128,7,88.5324,12.41
14301,xanthosine,bmse000128,8,75.9737,12.5
14302,xanthosine,bmse000128,9,73.5577,11.03
14303,xanthosine,bmse000128,10,64.3556,8.81
14304,xylitol,bmse000129,1,74.6275,11.33
14305,xylitol,bmse000129,2,73.4743,6.7
14306,xylitol,bmse000129,3,65.3143,12.5
14307,tyramine,bmse000243,1,157.2984,1.41
14308,tyramine,bmse000243,2,132.9956,12.5
14309,tyramine,bmse000243,3,131.1649,2.03
14310,tyramine,bmse000243,4,118.5125,12.18
14311,tyramine,bmse000243,5,43.4518,5.34
14312,tyramine,bmse000243,6,34.6329,6.06
14313,L_carnosine,bmse000246,1,180.2008,3.84
14314,L_carnosine,bmse000246,2,174.3323,4.86
14315,L_carnosine,bmse000246,3,137.5197,9.53
14316,L_carnosine,bmse000246,4,134.6631,4.69
14317,L_carnosine,bmse000246,5,119.8491,10.48
14318,L_carnosine,bmse000246,6,57.5784,11.65
14319,L_carnosine,bmse000246,7,38.3703,11.44
14320,L_carnosine,bmse000246,8,34.7671,12.5
14321,L_carnosine,bmse000246,9,30.9947,9.98
14322,glycolate,bmse000245,1,182.6562,5.25
14323,glycolate,bmse000245,2,63.9098,12.5
14324,1_3_dimethylurea,bmse000248,1,29.1399,12.5
14325,D_glucosamine,bmse000247,1,96.7337,8.51
14326,D_glucosamine,bmse000247,2,92.4167,12.41
14327,D_glucosamine,bmse000247,3,78.843,9.89
14328,D_glucosamine,bmse000247,4,75.8685,8.3
14329,D_glucosamine,bmse000247,5,74.3489,12.5
14330,D_glucosamine,bmse000247,6,72.9419,11.22
14331,D_glucosamine,bmse000247,7,72.4037,9.8
14332,D_glucosamine,bmse000247,8,72.3301,12.04
14333,D_glucosamine,bmse000247,9,63.2894,7.62
14334,D_glucosamine,bmse000247,10,63.0782,11.08
14335,D_glucosamine,bmse000247,11,59.6847,8.44
14336,D_glucosamine,bmse000247,12,57.1428,11.73
14337,isethionic_acid,bmse000242,1,59.6397,12.02
14338,isethionic_acid,bmse000242,2,55.5295,12.5
14339,N_N_dimethylglycine,bmse000241,1,62.5717,6.55
14340,N_N_dimethylglycine,bmse000241,2,46.2286,12.5
14341,dihydroxyacetone,bmse000144,1,214.7833,3.78
14342,dihydroxyacetone,bmse000144,2,97.773,1.6
14343,dihydroxyacetone,bmse000144,3,66.2429,12.5
14344,N_acetyl_L_glutamine,bmse000145,1,181.3622,2.37
14345,N_acetyl_L_glutamine,bmse000145,2,181.1277,3.44
14346,N_acetyl_L_glutamine,bmse000145,3,176.3862,3.32
14347,N_acetyl_L_glutamine,bmse000145,4,57.3658,12.5
14348,N_acetyl_L_glutamine,bmse000145,5,34.4405,9.75
14349,N_acetyl_L_glutamine,bmse000145,6,30.4549,10.18
14350,N_acetyl_L_glutamine,bmse000145,7,24.6247,9.17
14351,ADA,bmse000146,1,180.0279,1.66
14352,ADA,bmse000146,2,60.0622,12.5
14353,ADA,bmse000146,3,59.955,1.44
14354,4_aminoantipyrine,bmse000147,1,144.7673,1.72
14355,4_aminoantipyrine,bmse000147,2,135.763,1.74
14356,4_aminoantipyrine,bmse000147,3,132.3952,12.5
14357,4_aminoantipyrine,bmse000147,4,131.8174,5.85
14358,4_aminoantipyrine,bmse000147,5,129.3212,12.35
14359,4_aminoantipyrine,bmse000147,6,37.2322,4.81
14360,4_aminoantipyrine,bmse000147,7,11.7408,4.42
14361,acetylcarnitine,bmse000142,1,179.354,4.03
14362,acetylcarnitine,bmse000142,2,175.4615,4.06
14363,acetylcarnitine,bmse000142,3,70.835,4.53
14364,acetylcarnitine,bmse000142,4,69.5734,12.5
14365,acetylcarnitine,bmse000142,5,56.5103,12.2
14366,acetylcarnitine,bmse000142,6,42.9071,9.73
14367,acetylcarnitine,bmse000142,7,23.3168,9.11
14368,5_acetylamido_2_chloroaniline,bmse000143,1,139.2064,3.06
14369,5_acetylamido_2_chloroaniline,bmse000143,2,132.3826,12.5
14370,5_acetylamido_2_chloroaniline,bmse000143,3,116.2078,11.5
14371,5_acetylamido_2_chloroaniline,bmse000143,4,112.9825,11.85
14372,5_acetylamido_2_chloroaniline,bmse000143,5,25.522,8.76
14373,uracil,bmse000187,1,170.2202,1.35
14374,uracil,bmse000187,2,146.2032,10.52
14375,uracil,bmse000187,3,103.7407,12.5
14376,cytidine,bmse000190,1,168.8862,2.92
14377,cytidine,bmse000190,2,160.3399,2.39
14378,cytidine,bmse000190,3,144.3268,8.93
14379,cytidine,bmse000190,4,98.9421,9.02
14380,cytidine,bmse000190,5,92.9764,11.59
14381,cytidine,bmse000190,6,86.4726,11.93
14382,cytidine,bmse000190,7,76.6665,12.26
14383,cytidine,bmse000190,8,71.9801,12.5
14384,cytidine,bmse000190,9,63.4255,9.89
14385,propionic_acid,bmse000179,1,187.7472,2.27
14386,propionic_acid,bmse000179,2,33.4143,12.5
14387,propionic_acid,bmse000179,3,12.8911,11.53
14388,cytosine,bmse000180,1,170.1095,1.09
14389,cytosine,bmse000180,2,145.8461,10.28
14390,cytosine,bmse000180,3,97.8181,12.5
14391,3_hydroxybutyrate,bmse000161,1,183.1934,2.18
14392,3_hydroxybutyrate,bmse000161,2,68.3994,9.53
14393,3_hydroxybutyrate,bmse000161,3,49.2195,12.5
14394,3_hydroxybutyrate,bmse000161,4,24.4317,11.28
14395,sarcosine,bmse000160,1,174.1787,1.69
14396,sarcosine,bmse000160,2,53.5151,12.5
14397,sarcosine,bmse000160,3,35.3495,10.56
14398,beta_alanine,bmse000159,1,181.1398,1.61
14399,beta_alanine,bmse000159,2,39.2339,9.51
14400,beta_alanine,bmse000159,3,36.2855,12.5
14401,uridine,bmse000158,1,169.0394,2.54
14402,uridine,bmse000158,2,154.4569,2.08
14403,uridine,bmse000158,3,144.529,8.58
14404,uridine,bmse000158,4,104.9743,9.81
14405,uridine,bmse000158,5,92.0363,11.1
14406,uridine,bmse000158,6,86.9005,11.88
14407,uridine,bmse000158,7,76.3651,11.81
14408,uridine,bmse000158,8,72.0985,12.5
14409,uridine,bmse000158,9,63.4211,9.74
14410,N_acetyl_L_alanine,bmse000157,1,183.142,2.18
14411,N_acetyl_L_alanine,bmse000157,2,176.0277,2.41
14412,N_acetyl_L_alanine,bmse000157,3,53.6895,12.5
14413,N_acetyl_L_alanine,bmse000157,4,24.5618,8.98
14414,N_acetyl_L_alanine,bmse000157,5,20.0042,11.11
14415,trimethyl_phosphonoacetate,bmse000156,1,56.6257,8.02
14416,trimethyl_phosphonoacetate,bmse000156,2,56.5607,8.02
14417,trimethyl_phosphonoacetate,bmse000156,3,55.9903,12.5
14418,creatinine,bmse000155,1,191.713,2.26
14419,creatinine,bmse000155,2,59.1239,12.5
14420,creatinine,bmse000155,3,58.8527,2.53
14421,creatinine,bmse000155,4,58.6295,1.96
14422,creatinine,bmse000155,5,32.9001,9.73
14423,4_2_aminoethyl_morpholine,bmse000154,1,68.8872,12.21
14424,4_2_aminoethyl_morpholine,bmse000154,2,56.9694,6.45
14425,4_2_aminoethyl_morpholine,bmse000154,3,55.1945,12.5
14426,4_2_aminoethyl_morpholine,bmse000154,4,38.3707,5.31
14427,L_methionine_methylsulfonium_iodide,bmse000153,1,176.1278,2.46
14428,L_methionine_methylsulfonium_iodide,bmse000153,2,55.6328,12.37
14429,L_methionine_methylsulfonium_iodide,bmse000153,3,42.2714,10.53
14430,L_methionine_methylsulfonium_iodide,bmse000153,4,28.1127,10.06
14431,L_methionine_methylsulfonium_iodide,bmse000153,5,27.4753,11.87
14432,L_methionine_methylsulfonium_iodide,bmse000153,6,27.4428,12.5
14433,trigonelline,bmse000152,1,170.5429,1.63
14434,trigonelline,bmse000152,2,148.7294,3.53
14435,trigonelline,bmse000152,3,148.5432,3.12
14436,trigonelline,bmse000152,4,147.4509,9.81
14437,trigonelline,bmse000152,5,139.591,3.58
14438,trigonelline,bmse000152,6,130.3808,12.5
14439,trigonelline,bmse000152,7,50.9868,3.8
14440,L_kynurenine,bmse000172,1,202.7838,4.18
14441,L_kynurenine,bmse000172,2,176.9655,3.82
14442,L_kynurenine,bmse000172,3,153.0281,3.8
14443,L_kynurenine,bmse000172,4,138.3201,10.63
14444,L_kynurenine,bmse000172,5,134.0077,10.47
14445,L_kynurenine,bmse000172,6,120.7487,12.5
14446,L_kynurenine,bmse000172,7,120.1347,3.19
14447,L_kynurenine,bmse000172,8,119.5469,11.71
14448,L_kynurenine,bmse000172,9,53.4373,9.6
14449,L_kynurenine,bmse000172,10,53.3893,1.75
14450,L_kynurenine,bmse000172,11,41.6724,9.4
14451,4_hydroxyphenethyl_alcohol,bmse000173,1,156.5231,1.3
14452,4_hydroxyphenethyl_alcohol,bmse000173,2,133.6531,2.03
14453,4_hydroxyphenethyl_alcohol,bmse000173,3,133.0108,12.05
14454,4_hydroxyphenethyl_alcohol,bmse000173,4,118.0973,12.5
14455,4_hydroxyphenethyl_alcohol,bmse000173,5,65.4628,5.4
14456,4_hydroxyphenethyl_alcohol,bmse000173,6,39.6054,5.27
14457,L_glutathione_oxidized,bmse000170,1,179.0431,5.08
14458,L_glutathione_oxidized,bmse000170,2,177.7295,7.27
14459,L_glutathione_oxidized,bmse000170,3,176.8436,5.71
14460,L_glutathione_oxidized,bmse000170,4,174.576,7.14
14461,L_glutathione_oxidized,bmse000170,5,56.7983,12.5
14462,L_glutathione_oxidized,bmse000170,6,55.2962,6.93
14463,L_glutathione_oxidized,bmse000170,7,46.1769,10
14464,L_glutathione_oxidized,bmse000170,8,41.3939,5.3
14465,L_glutathione_oxidized,bmse000170,9,34.0976,8.71
14466,L_glutathione_oxidized,bmse000170,10,28.9834,9.22
14467,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,1,137.9087,2.24
14468,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,2,137.8673,2.37
14469,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,3,131.376,12.5
14470,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,4,131.3613,12.49
14471,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,5,130.699,5.71
14472,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,6,130.6797,5.71
14473,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,7,130.3647,10.88
14474,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,8,130.3201,11.19
14475,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,9,58.3213,5.52
14476,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,10,57.0571,5.41
14477,2_amino_5_ethyl_1_3_4_thiadiazole,bmse000176,1,168.4472,1.23
14478,2_amino_5_ethyl_1_3_4_thiadiazole,bmse000176,2,25.8692,12.5
14479,2_amino_5_ethyl_1_3_4_thiadiazole,bmse000176,3,15.8228,11.49
14480,indole_3_acetic_acid,bmse000177,1,184.4014,2.14
14481,indole_3_acetic_acid,bmse000177,2,138.8639,1.78
14482,indole_3_acetic_acid,bmse000177,3,129.8341,1.84
14483,indole_3_acetic_acid,bmse000177,4,126.7302,9.37
14484,indole_3_acetic_acid,bmse000177,5,124.4124,12.5
14485,indole_3_acetic_acid,bmse000177,6,121.7961,11.6
14486,indole_3_acetic_acid,bmse000177,7,121.3961,11.96
14487,indole_3_acetic_acid,bmse000177,8,114.4077,11.75
14488,indole_3_acetic_acid,bmse000177,9,113.0393,2.26
14489,indole_3_acetic_acid,bmse000177,10,36.6627,11.8
14490,5_acetylamino_2_nitrobenzoic_acid,bmse000174,1,177.1121,2.86
14491,5_acetylamino_2_nitrobenzoic_acid,bmse000174,2,175.8429,2.97
14492,5_acetylamino_2_nitrobenzoic_acid,bmse000174,3,146.1205,4.91
14493,5_acetylamino_2_nitrobenzoic_acid,bmse000174,4,142.1751,2.25
14494,5_acetylamino_2_nitrobenzoic_acid,bmse000174,5,140.3992,5.19
14495,5_acetylamino_2_nitrobenzoic_acid,bmse000174,6,135.1671,1.17
14496,5_acetylamino_2_nitrobenzoic_acid,bmse000174,7,128.5755,12.5
14497,5_acetylamino_2_nitrobenzoic_acid,bmse000174,8,122.2003,7.85
14498,5_acetylamino_2_nitrobenzoic_acid,bmse000174,9,120.5307,8.5
14499,5_acetylamino_2_nitrobenzoic_acid,bmse000174,10,26.0734,7.9
14500,inosine_5_monophosphate,bmse000175,1,161.425,3.75
14501,inosine_5_monophosphate,bmse000175,2,151.4802,4.81
14502,inosine_5_monophosphate,bmse000175,3,149.0993,9.26
14503,inosine_5_monophosphate,bmse000175,4,142.6513,8.28
14504,inosine_5_monophosphate,bmse000175,5,126.224,3.55
14505,inosine_5_monophosphate,bmse000175,6,90.0513,11.57
14506,inosine_5_monophosphate,bmse000175,7,87.5897,6.17
14507,inosine_5_monophosphate,bmse000175,8,87.5029,6.25
14508,inosine_5_monophosphate,bmse000175,9,77.4723,12.43
14509,inosine_5_monophosphate,bmse000175,10,73.3415,12.5
14510,inosine_5_monophosphate,bmse000175,11,66.1817,4.69
14511,inosine_5_monophosphate,bmse000175,12,66.1371,4.9
14512,acetylcholine,bmse000168,1,175.9351,1.7
14513,acetylcholine,bmse000168,2,67.2352,3.17
14514,acetylcholine,bmse000168,3,67.2022,3.69
14515,acetylcholine,bmse000168,4,67.1693,3.21
14516,acetylcholine,bmse000168,5,61.0489,9.91
14517,acetylcholine,bmse000168,6,56.5037,10.75
14518,acetylcholine,bmse000168,7,56.4653,12.5
14519,acetylcholine,bmse000168,8,56.4269,11.09
14520,acetylcholine,bmse000168,9,22.907,5.01
14521,L_selenomethionine,bmse000169,1,177.0007,2.6
14522,L_selenomethionine,bmse000169,2,57.4374,11.47
14523,L_selenomethionine,bmse000169,3,33.6291,11.68
14524,L_selenomethionine,bmse000169,4,21.9577,12.5
14525,L_selenomethionine,bmse000169,5,5.9908,6.84
14526,L_carnitine,bmse000211,1,180.7932,2.55
14527,L_carnitine,bmse000211,2,72.8484,3.55
14528,L_carnitine,bmse000211,3,72.8194,4.35
14529,L_carnitine,bmse000211,4,72.7905,3.77
14530,L_carnitine,bmse000211,5,66.787,9.83
14531,L_carnitine,bmse000211,6,56.8352,10.16
14532,L_carnitine,bmse000211,7,56.7971,12.5
14533,L_carnitine,bmse000211,8,56.7587,10.72
14534,L_carnitine,bmse000211,9,45.6836,6.68
14535,2_deoxyguanosine_5_triphosphate,bmse000210,1,161.5994,4.1
14536,2_deoxyguanosine_5_triphosphate,bmse000210,2,156.5483,6.62
14537,2_deoxyguanosine_5_triphosphate,bmse000210,3,153.9201,3.76
14538,2_deoxyguanosine_5_triphosphate,bmse000210,4,140.177,4.97
14539,2_deoxyguanosine_5_triphosphate,bmse000210,5,118.7094,3.56
14540,2_deoxyguanosine_5_triphosphate,bmse000210,6,88.3356,4.95
14541,2_deoxyguanosine_5_triphosphate,bmse000210,7,88.2497,5.03
14542,2_deoxyguanosine_5_triphosphate,bmse000210,8,86.1217,10.42
14543,2_deoxyguanosine_5_triphosphate,bmse000210,9,85.9663,1.24
14544,2_deoxyguanosine_5_triphosphate,bmse000210,10,73.5912,12.5
14545,2_deoxyguanosine_5_triphosphate,bmse000210,11,73.4257,1.36
14546,2_deoxyguanosine_5_triphosphate,bmse000210,12,68.0836,4.3
14547,2_deoxyguanosine_5_triphosphate,bmse000210,13,68.0298,4.01
14548,2_deoxyguanosine_5_triphosphate,bmse000210,14,60.1564,2.92
14549,2_deoxyguanosine_5_triphosphate,bmse000210,15,41.4696,9.7
14550,2_deoxyguanosine_5_triphosphate,bmse000210,16,19.5226,3.19
14551,L_glutathione_reduced,bmse000185,1,179.0844,3.34
14552,L_glutathione_reduced,bmse000185,2,177.7381,6.24
14553,L_glutathione_reduced,bmse000185,3,176.8762,4.09
14554,L_glutathione_reduced,bmse000185,4,174.517,4.49
14555,L_glutathione_reduced,bmse000185,5,58.485,9.28
14556,L_glutathione_reduced,bmse000185,6,56.8252,12.5
14557,L_glutathione_reduced,bmse000185,7,46.0594,11.98
14558,L_glutathione_reduced,bmse000185,8,34.0617,10.25
14559,L_glutathione_reduced,bmse000185,9,28.9279,10.05
14560,L_glutathione_reduced,bmse000185,10,28.2991,8.79
14561,L-ascorbate,bmse000182,1,180.3168,1.43
14562,L-ascorbate,bmse000182,2,178.4832,2.74
14563,L-ascorbate,bmse000182,3,115.802,1.21
14564,L-ascorbate,bmse000182,4,81.1004,12.5
14565,L-ascorbate,bmse000182,5,72.2534,11.82
14566,L-ascorbate,bmse000182,6,65.2522,10.99
14567,glycerol,bmse000184,1,74.7687,5.34
14568,glycerol,bmse000184,2,65.1855,12.5
14569,succinic_acid,bmse000183,1,185.1723,12.5
14570,diethyl_oxalacetate,bmse000148,1,175.4103,2.81
14571,diethyl_oxalacetate,bmse000148,2,174.3091,2.64
14572,diethyl_oxalacetate,bmse000148,3,173.4326,3.11
14573,diethyl_oxalacetate,bmse000148,4,168.1048,3.57
14574,diethyl_oxalacetate,bmse000148,5,163.0751,2.84
14575,diethyl_oxalacetate,bmse000148,6,107.9727,2.93
14576,diethyl_oxalacetate,bmse000148,7,66.4032,12.5
14577,diethyl_oxalacetate,bmse000148,8,64.8073,11.65
14578,diethyl_oxalacetate,bmse000148,9,63.2252,12.35
14579,diethyl_oxalacetate,bmse000148,10,60.1425,6.53
14580,diethyl_oxalacetate,bmse000148,11,19.5054,7.69
14581,diethyl_oxalacetate,bmse000148,12,16.4349,10.31
14582,diethyl_oxalacetate,bmse000148,13,16.0264,10.85
14583,diethyl_oxalacetate,bmse000148,14,15.8307,11.05
14584,diethyl_oxalacetate,bmse000148,15,8.3719,1.46
14585,methyl_4_aminobutyrate,bmse000249,1,178.332,2.3
14586,methyl_4_aminobutyrate,bmse000249,2,55.0318,9.91
14587,methyl_4_aminobutyrate,bmse000249,3,41.3931,9.31
14588,methyl_4_aminobutyrate,bmse000249,4,33.2371,12.5
14589,methyl_4_aminobutyrate,bmse000249,5,24.7364,10.01
14590,acetic_acid,bmse000191,1,25.9921,12.5
14591,DL_alpha_glycerol_phosphate,bmse000193,1,74.017,6.6
14592,DL_alpha_glycerol_phosphate,bmse000193,2,73.9509,6.61
14593,DL_alpha_glycerol_phosphate,bmse000193,3,67.5764,6.42
14594,DL_alpha_glycerol_phosphate,bmse000193,4,67.5279,6.33
14595,DL_alpha_glycerol_phosphate,bmse000193,5,64.9909,12.5
14596,L_arginine_L_glutamate,bmse000194,1,184.0271,2.62
14597,L_arginine_L_glutamate,bmse000194,2,177.3004,2.69
14598,L_arginine_L_glutamate,bmse000194,3,177.2486,3.51
14599,L_arginine_L_glutamate,bmse000194,4,159.5217,1.58
14600,L_arginine_L_glutamate,bmse000194,5,57.3276,11.34
14601,L_arginine_L_glutamate,bmse000194,6,56.9877,12.33
14602,L_arginine_L_glutamate,bmse000194,7,43.187,10.69
14603,L_arginine_L_glutamate,bmse000194,8,36.1773,12.5
14604,L_arginine_L_glutamate,bmse000194,9,30.2821,11.31
14605,L_arginine_L_glutamate,bmse000194,10,29.6813,11.66
14606,L_arginine_L_glutamate,bmse000194,11,26.565,9.36
14607,N_alpha_acetyl_DL_ornithine,bmse000195,1,181.278,2.84
14608,N_alpha_acetyl_DL_ornithine,bmse000195,2,176.3942,3.3
14609,N_alpha_acetyl_DL_ornithine,bmse000195,3,57.2647,12.5
14610,N_alpha_acetyl_DL_ornithine,bmse000195,4,41.7026,11.36
14611,N_alpha_acetyl_DL_ornithine,bmse000195,5,31.2562,11.58
14612,N_alpha_acetyl_DL_ornithine,bmse000195,6,26.1175,10.85
14613,N_alpha_acetyl_DL_ornithine,bmse000195,7,24.6039,9.43
14614,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,1,177.1802,4.22
14615,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,2,100.7816,12.14
14616,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,3,74.3693,12.5
14617,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,4,73.8173,11.87
14618,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,5,72.6604,11.86
14619,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,6,63.2442,9.78
14620,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,7,57.84,10.7
14621,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,8,56.3295,11.36
14622,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,9,24.5939,9.03
14623,N_acetyl_D_glucosamine_1_phosphate,bmse000197,1,177.4262,6.89
14624,N_acetyl_D_glucosamine_1_phosphate,bmse000197,2,95.5064,6.59
14625,N_acetyl_D_glucosamine_1_phosphate,bmse000197,3,95.4519,6.61
14626,N_acetyl_D_glucosamine_1_phosphate,bmse000197,4,74.8112,12.48
14627,N_acetyl_D_glucosamine_1_phosphate,bmse000197,5,74.1248,11.53
14628,N_acetyl_D_glucosamine_1_phosphate,bmse000197,6,72.717,12.5
14629,N_acetyl_D_glucosamine_1_phosphate,bmse000197,7,63.3991,10.48
14630,N_acetyl_D_glucosamine_1_phosphate,bmse000197,8,60.1385,1.19
14631,N_acetyl_D_glucosamine_1_phosphate,bmse000197,9,56.8941,6.31
14632,N_acetyl_D_glucosamine_1_phosphate,bmse000197,10,56.82,5.92
14633,N_acetyl_D_glucosamine_1_phosphate,bmse000197,11,24.8547,11.82
14634,N_acetyl_D_glucosamine_1_phosphate,bmse000197,12,19.5064,1.35
14635,6_phosphogluconic_acid,bmse000198,1,181.6058,3.57
14636,6_phosphogluconic_acid,bmse000198,2,76.871,10.24
14637,6_phosphogluconic_acid,bmse000198,3,74.5728,12.34
14638,6_phosphogluconic_acid,bmse000198,4,73.5923,12.5
14639,6_phosphogluconic_acid,bmse000198,5,73.3427,6.13
14640,6_phosphogluconic_acid,bmse000198,6,73.2817,6
14641,6_phosphogluconic_acid,bmse000198,7,67.8378,5.3
14642,6_phosphogluconic_acid,bmse000198,8,67.7897,5.02
14643,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,1,177.4856,7.09
14644,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,2,169.018,6.26
14645,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,3,154.5678,4.71
14646,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,4,144.3458,8.41
14647,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,5,105.3664,9.76
14648,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,6,97.2217,5.52
14649,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,7,97.1586,5.3
14650,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,8,91.2324,10.4
14651,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,9,85.9265,5.45
14652,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,10,85.8356,5.37
14653,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,11,76.5038,12.5
14654,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,12,75.7265,10.47
14655,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,13,73.618,9.4
14656,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,14,72.3363,12.03
14657,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,15,72.1894,10.68
14658,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,16,67.7104,4.06
14659,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,17,67.6547,4.21
14660,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,18,63.011,8.29
14661,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,19,56.4123,4.85
14662,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,20,56.3279,4.86
14663,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,21,24.8017,11.06
14664,D_glucosamine_6_phosphate,bmse000189,1,96.7641,3.96
14665,D_glucosamine_6_phosphate,bmse000189,2,92.5468,9.11
14666,D_glucosamine_6_phosphate,bmse000189,3,78.573,7.72
14667,D_glucosamine_6_phosphate,bmse000189,4,78.5029,8.09
14668,D_glucosamine_6_phosphate,bmse000189,5,75.3,3.82
14669,D_glucosamine_6_phosphate,bmse000189,6,74.241,8.9
14670,D_glucosamine_6_phosphate,bmse000189,7,74.1735,8.79
14671,D_glucosamine_6_phosphate,bmse000189,8,72.61,7.6
14672,D_glucosamine_6_phosphate,bmse000189,9,72.216,8.01
14673,D_glucosamine_6_phosphate,bmse000189,10,72.0861,11.81
14674,D_glucosamine_6_phosphate,bmse000189,11,65.6945,5.67
14675,D_glucosamine_6_phosphate,bmse000189,12,65.5318,8.2
14676,D_glucosamine_6_phosphate,bmse000189,13,59.9922,8.37
14677,D_glucosamine_6_phosphate,bmse000189,14,57.442,12.5
14678,N_acetyl_D_glucosamine_6_phosphate,bmse000205,1,177.6459,3.99
14679,N_acetyl_D_glucosamine_6_phosphate,bmse000205,2,177.3558,6.21
14680,N_acetyl_D_glucosamine_6_phosphate,bmse000205,3,97.9785,9.64
14681,N_acetyl_D_glucosamine_6_phosphate,bmse000205,4,93.8355,12.5
14682,N_acetyl_D_glucosamine_6_phosphate,bmse000205,5,78.3788,4.55
14683,N_acetyl_D_glucosamine_6_phosphate,bmse000205,6,78.3082,5
14684,N_acetyl_D_glucosamine_6_phosphate,bmse000205,7,76.3335,8.77
14685,N_acetyl_D_glucosamine_6_phosphate,bmse000205,8,74.1312,5.77
14686,N_acetyl_D_glucosamine_6_phosphate,bmse000205,9,74.0636,5.71
14687,N_acetyl_D_glucosamine_6_phosphate,bmse000205,10,73.273,9.62
14688,N_acetyl_D_glucosamine_6_phosphate,bmse000205,11,72.5985,6.43
14689,N_acetyl_D_glucosamine_6_phosphate,bmse000205,12,72.4066,4.3
14690,N_acetyl_D_glucosamine_6_phosphate,bmse000205,13,65.8183,6.34
14691,N_acetyl_D_glucosamine_6_phosphate,bmse000205,14,59.7314,6.92
14692,N_acetyl_D_glucosamine_6_phosphate,bmse000205,15,57.09,11.32
14693,N_acetyl_D_glucosamine_6_phosphate,bmse000205,16,25.09,7.17
14694,N_acetyl_D_glucosamine_6_phosphate,bmse000205,17,24.8284,8.82
14695,N_acetyl_D_glucosamine_6_phosphate,bmse000205,18,24.6366,2.13
14696,N_acetyl_D_glucosamine_6_phosphate,bmse000205,19,8.3826,2.3
14697,formate,bmse000203,1,173.8915,12.5
14698,HEPES,bmse000202,1,60.8048,5.44
14699,HEPES,bmse000202,2,58.5772,7.51
14700,HEPES,bmse000202,3,54.5149,8.11
14701,HEPES,bmse000202,4,54.0844,12.5
14702,HEPES,bmse000202,5,52.383,11.07
14703,HEPES,bmse000202,6,50.0053,7.83
14704,D_citrulline,bmse000209,1,177.3935,5.6
14705,D_citrulline,bmse000209,2,164.2858,1.35
14706,D_citrulline,bmse000209,3,57.1942,10.87
14707,D_citrulline,bmse000209,4,41.9172,1.9
14708,D_citrulline,bmse000209,5,30.442,12.5
14709,D_citrulline,bmse000209,6,27.6603,6.22
14710,tryptamine,bmse000207,1,139.1467,1.96
14711,tryptamine,bmse000207,2,129.1548,2.05
14712,tryptamine,bmse000207,3,127.0515,9.42
14713,tryptamine,bmse000207,4,124.8771,12.23
14714,tryptamine,bmse000207,5,122.1292,11.7
14715,tryptamine,bmse000207,6,121.0332,11.62
14716,tryptamine,bmse000207,7,114.7782,11.66
14717,tryptamine,bmse000207,8,111.7871,2.5
14718,tryptamine,bmse000207,9,42.4461,10.28
14719,tryptamine,bmse000207,10,25.3872,12.5
14720,caffeine,bmse000206,1,158.3677,2.3
14721,caffeine,bmse000206,2,154.8444,2.1
14722,caffeine,bmse000206,3,150.6943,2.53
14723,caffeine,bmse000206,4,146.1726,12.5
14724,caffeine,bmse000206,5,109.992,1.93
14725,caffeine,bmse000206,6,36.1671,12
14726,caffeine,bmse000206,7,32.5176,11.72
14727,caffeine,bmse000206,8,30.6092,12.15
14728,DL_serine,bmse000222,1,175.1858,1.49
14729,DL_serine,bmse000222,2,62.8818,12.5
14730,DL_serine,bmse000222,3,59.0696,9.18
14731,kanamycin,bmse000201,1,103.0882,11.25
14732,kanamycin,bmse000201,2,99.3708,11.19
14733,kanamycin,bmse000201,3,87.4547,11.03
14734,kanamycin,bmse000201,4,82.3518,10.12
14735,kanamycin,bmse000201,5,76.1335,11.05
14736,kanamycin,bmse000201,6,75.2746,11.27
14737,kanamycin,bmse000201,7,74.8051,11.96
14738,kanamycin,bmse000201,8,73.8216,11.92
14739,kanamycin,bmse000201,9,73.7132,12.5
14740,kanamycin,bmse000201,10,71.3274,11.8
14741,kanamycin,bmse000201,11,71.2135,10.89
14742,kanamycin,bmse000201,12,68.4669,11.25
14743,kanamycin,bmse000201,13,62.5738,8.79
14744,kanamycin,bmse000201,14,57.6876,10.31
14745,kanamycin,bmse000201,15,52.8142,10.87
14746,kanamycin,bmse000201,16,50.8624,10.67
14747,kanamycin,bmse000201,17,43.1772,9.79
14748,kanamycin,bmse000201,18,32.4006,6.43
14749,D_galacturonic_acid,bmse000216,1,178.7328,1.92
14750,D_galacturonic_acid,bmse000216,2,177.8683,2.95
14751,D_galacturonic_acid,bmse000216,3,103.6266,1.14
14752,D_galacturonic_acid,bmse000216,4,98.6973,11.64
14753,D_galacturonic_acid,bmse000216,5,94.8821,8.1
14754,D_galacturonic_acid,bmse000216,6,86.1096,1.16
14755,D_galacturonic_acid,bmse000216,7,83.8927,1.25
14756,D_galacturonic_acid,bmse000216,8,78.2191,12.5
14757,D_galacturonic_acid,bmse000216,9,75.5921,12.15
14758,D_galacturonic_acid,bmse000216,10,74.2733,11.54
14759,D_galacturonic_acid,bmse000216,11,74.0687,8.3
14760,D_galacturonic_acid,bmse000216,12,73.5175,7.92
14761,D_galacturonic_acid,bmse000216,13,73.4128,1.2
14762,D_galacturonic_acid,bmse000216,14,73.0403,11.9
14763,D_galacturonic_acid,bmse000216,15,72.0425,8.11
14764,D_galacturonic_acid,bmse000216,16,70.7295,8.19
14765,melibiose,bmse000215,1,100.9074,4.94
14766,melibiose,bmse000215,2,100.8624,8.18
14767,melibiose,bmse000215,3,98.7735,7.77
14768,melibiose,bmse000215,4,94.8936,4.8
14769,melibiose,bmse000215,5,78.5818,7.92
14770,melibiose,bmse000215,6,77.0481,7.86
14771,melibiose,bmse000215,7,76.7432,7.91
14772,melibiose,bmse000215,8,75.641,4.51
14773,melibiose,bmse000215,9,74.115,4.66
14774,melibiose,bmse000215,10,73.6521,8.63
14775,melibiose,bmse000215,11,72.7897,4.38
14776,melibiose,bmse000215,12,72.2675,4.58
14777,melibiose,bmse000215,13,72.1681,11.13
14778,melibiose,bmse000215,14,72.1168,8.41
14779,melibiose,bmse000215,15,71.8969,12.5
14780,melibiose,bmse000215,16,71.1809,5.01
14781,melibiose,bmse000215,17,71.1499,8
14782,melibiose,bmse000215,18,68.5997,3.4
14783,melibiose,bmse000215,19,68.5048,5.74
14784,melibiose,bmse000215,20,63.7993,7.48
14785,raffinose,bmse000221,1,106.4984,12
14786,raffinose,bmse000221,2,101.1619,11.75
14787,raffinose,bmse000221,3,94.8107,10.5
14788,raffinose,bmse000221,4,84.0386,10.37
14789,raffinose,bmse000221,5,78.9908,10.66
14790,raffinose,bmse000221,6,76.6708,10.74
14791,raffinose,bmse000221,7,75.3481,10.62
14792,raffinose,bmse000221,8,74.0893,10.03
14793,raffinose,bmse000221,9,73.7298,10.76
14794,raffinose,bmse000221,10,73.6491,10.76
14795,raffinose,bmse000221,11,72.1375,11.45
14796,raffinose,bmse000221,12,72.0811,10.61
14797,raffinose,bmse000221,13,71.8977,12.5
14798,raffinose,bmse000221,14,71.1782,10.63
14799,raffinose,bmse000221,15,68.5609,7.4
14800,raffinose,bmse000221,16,65.174,9.27
14801,raffinose,bmse000221,17,64.0591,8.59
14802,raffinose,bmse000221,18,63.8064,10.78
14803,phenylacetic_acid,bmse000220,1,140.0132,1.48
14804,phenylacetic_acid,bmse000220,2,131.8678,12.4
14805,phenylacetic_acid,bmse000220,3,131.3739,12.5
14806,phenylacetic_acid,bmse000220,4,129.1624,7.27
14807,phenylacetic_acid,bmse000220,5,47.1763,7.68
14808,quinolinic_acid,bmse000219,1,151.0633,4.64
14809,quinolinic_acid,bmse000219,2,139.9295,12.5
14810,quinolinic_acid,bmse000219,3,134.2225,1.66
14811,quinolinic_acid,bmse000219,4,126.3609,1.43
14812,L_arabinose,bmse000213,1,99.4707,11.84
14813,L_arabinose,bmse000213,2,95.2773,6.36
14814,L_arabinose,bmse000213,3,85.6557,1.01
14815,L_arabinose,bmse000213,4,75.1558,12.46
14816,L_arabinose,bmse000213,5,74.5445,11.65
14817,L_arabinose,bmse000213,6,71.3975,5.23
14818,L_arabinose,bmse000213,7,71.291,6.33
14819,L_arabinose,bmse000213,8,71.19,12.5
14820,L_arabinose,bmse000213,9,71.1316,6.46
14821,L_arabinose,bmse000213,10,69.092,10.76
14822,L_arabinose,bmse000213,11,65.1629,5.63
14823,L_arabinose,bmse000213,12,63.7809,1.01
14824,maleic_acid,bmse000212,1,178.0156,12.5
14825,maleic_acid,bmse000212,2,138.0455,2.52
14826,trimethylamine,bmse000224,1,47.3627,12.5
14827,FAD,bmse000226,1,164.0687,6.03
14828,FAD,bmse000226,2,160.4644,6.44
14829,FAD,bmse000226,3,157.4008,5.27
14830,FAD,bmse000226,4,155.0401,6.79
14831,FAD,bmse000226,5,153.2024,6.31
14832,FAD,bmse000226,6,152.7018,4.88
14833,FAD,bmse000226,7,150.7506,8.42
14834,FAD,bmse000226,8,141.8033,9.25
14835,FAD,bmse000226,9,137.3022,7.38
14836,FAD,bmse000226,10,136.7199,6.9
14837,FAD,bmse000226,11,134.1126,5.24
14838,FAD,bmse000226,12,133.1145,6.31
14839,FAD,bmse000226,13,120.4006,4.97
14840,FAD,bmse000226,14,119.1392,5.98
14841,FAD,bmse000226,15,89.8286,8.42
14842,FAD,bmse000226,16,86.1706,4.9
14843,FAD,bmse000226,17,77.5902,9.53
14844,FAD,bmse000226,18,75.1902,7.63
14845,FAD,bmse000226,19,73.8874,4.74
14846,FAD,bmse000226,20,72.6742,9.77
14847,FAD,bmse000226,21,72.0204,7.14
14848,FAD,bmse000226,22,49.8304,4.6
14849,FAD,bmse000226,23,23.4503,12.23
14850,FAD,bmse000226,24,21.3064,12.5
14851,biotin,bmse000227,1,186.5202,3.08
14852,biotin,bmse000227,2,168.1155,1.31
14853,biotin,bmse000227,3,64.7083,11.47
14854,biotin,bmse000227,4,62.9655,10.94
14855,biotin,bmse000227,5,58.0656,12.5
14856,biotin,bmse000227,6,42.4481,10.02
14857,biotin,bmse000227,7,40.0331,11.31
14858,biotin,bmse000227,8,30.9897,10.73
14859,biotin,bmse000227,9,30.4007,10.87
14860,biotin,bmse000227,10,28.3888,11.03
14861,L_malic_acid,bmse000238,1,183.7653,2.22
14862,L_malic_acid,bmse000238,2,182.5621,2.11
14863,L_malic_acid,bmse000238,3,73.0565,11
14864,L_malic_acid,bmse000238,4,45.325,12.5
14865,DL_pipecolic_acid,bmse000237,1,177.3687,2.02
14866,DL_pipecolic_acid,bmse000237,2,61.7014,10.46
14867,DL_pipecolic_acid,bmse000237,3,46.3684,11.14
14868,DL_pipecolic_acid,bmse000237,4,29.2254,12.03
14869,DL_pipecolic_acid,bmse000237,5,24.5183,12.5
14870,DL_pipecolic_acid,bmse000237,6,24.2597,11.72
14871,alpha_naphthoic_acid,bmse000178,1,180.9525,1.22
14872,alpha_naphthoic_acid,bmse000178,2,140.3164,2.38
14873,alpha_naphthoic_acid,bmse000178,3,136.0023,3.43
14874,alpha_naphthoic_acid,bmse000178,4,131.8378,2.83
14875,alpha_naphthoic_acid,bmse000178,5,131.5775,11.93
14876,alpha_naphthoic_acid,bmse000178,6,130.9661,12.32
14877,alpha_naphthoic_acid,bmse000178,7,129.4469,11.78
14878,alpha_naphthoic_acid,bmse000178,8,128.9278,12.24
14879,alpha_naphthoic_acid,bmse000178,9,128.3008,11.2
14880,alpha_naphthoic_acid,bmse000178,10,128.1263,11.47
14881,alpha_naphthoic_acid,bmse000178,11,126.9179,12.5
14882,L_lactic_acid,bmse000208,1,185.2568,1.47
14883,L_lactic_acid,bmse000208,2,71.1986,10.31
14884,L_lactic_acid,bmse000208,3,22.7605,12.5
14885,thymidine,bmse000244,1,169.2606,1.96
14886,thymidine,bmse000244,2,154.4362,2.17
14887,thymidine,bmse000244,3,140.2111,10.41
14888,thymidine,bmse000244,4,114.1556,4.85
14889,thymidine,bmse000244,5,89.1962,12.5
14890,thymidine,bmse000244,6,87.7135,11.37
14891,thymidine,bmse000244,7,73.1301,12.1
14892,thymidine,bmse000244,8,63.8632,10.49
14893,thymidine,bmse000244,9,41.1957,10.46
14894,thymidine,bmse000244,10,14.2614,10.1
14895,citraconic_acid,bmse000199,1,182.5855,1.19
14896,citraconic_acid,bmse000199,2,177.0006,1.62
14897,citraconic_acid,bmse000199,3,150.7235,3.14
14898,citraconic_acid,bmse000199,4,122.9987,12.5
14899,citraconic_acid,bmse000199,5,23.083,10.26
14900,homogentisic_acid,bmse000200,1,183.4495,2.25
14901,homogentisic_acid,bmse000200,2,151.5798,3.49
14902,homogentisic_acid,bmse000200,3,150.3577,2.71
14903,homogentisic_acid,bmse000200,4,128.3103,4.07
14904,homogentisic_acid,bmse000200,5,120.3611,12.12
14905,homogentisic_acid,bmse000200,6,119.7948,12.5
14906,homogentisic_acid,bmse000200,7,117.1989,12.11
14907,homogentisic_acid,bmse000200,8,42.6626,11.69
14908,isonicotinic_acid,bmse000133,1,152.265,11.27
14909,isonicotinic_acid,bmse000133,2,143.3482,1.49
14910,isonicotinic_acid,bmse000133,3,124.3227,12.5
14911,homovanillic_acid,bmse000132,1,184.0342,2.31
14912,homovanillic_acid,bmse000132,2,149.9125,2.75
14913,homovanillic_acid,bmse000132,3,145.8277,2.64
14914,homovanillic_acid,bmse000132,4,132.7556,4.92
14915,homovanillic_acid,bmse000132,5,124.6363,12.01
14916,homovanillic_acid,bmse000132,6,118.1634,12.5
14917,homovanillic_acid,bmse000132,7,116.1596,11.86
14918,homovanillic_acid,bmse000132,8,58.5972,11.89
14919,homovanillic_acid,bmse000132,9,46.5865,11.75
14920,cyanuric_acid,bmse000135,1,158.7585,12.5
14921,ethacrynic_acid,bmse000134,1,202.3118,4.43
14922,ethacrynic_acid,bmse000134,2,177.9826,5
14923,ethacrynic_acid,bmse000134,3,158.7271,7.04
14924,ethacrynic_acid,bmse000134,4,152.4416,9.11
14925,ethacrynic_acid,bmse000134,5,134.6377,7.45
14926,ethacrynic_acid,bmse000134,6,134.3055,7.14
14927,ethacrynic_acid,bmse000134,7,133.1034,4.2
14928,ethacrynic_acid,bmse000134,8,130.6445,11.98
14929,ethacrynic_acid,bmse000134,9,124.6188,3.16
14930,ethacrynic_acid,bmse000134,10,113.5528,12.1
14931,ethacrynic_acid,bmse000134,11,70.3721,12.5
14932,ethacrynic_acid,bmse000134,12,25.8093,12.14
14933,ethacrynic_acid,bmse000134,13,14.5372,10.57
14934,itaconic_acid,bmse000137,1,183.4319,1.66
14935,itaconic_acid,bmse000137,2,144.4598,3.08
14936,itaconic_acid,bmse000137,3,124.7498,11.94
14937,itaconic_acid,bmse000137,4,44.7199,12.5
14938,amygdalin,bmse000139,1,135.1591,3.04
14939,amygdalin,bmse000139,2,133.2211,4.82
14940,amygdalin,bmse000139,3,132.0805,12.5
14941,amygdalin,bmse000139,4,130.5071,12.26
14942,amygdalin,bmse000139,5,121.2539,2.79
14943,amygdalin,bmse000139,6,105.5549,5
14944,amygdalin,bmse000139,7,104.1485,4.67
14945,amygdalin,bmse000139,8,78.6035,5.33
14946,amygdalin,bmse000139,9,78.2945,5.19
14947,amygdalin,bmse000139,10,78.182,4.9
14948,amygdalin,bmse000139,11,78.0819,4.95
14949,amygdalin,bmse000139,12,75.9,5.09
14950,amygdalin,bmse000139,13,75.4567,4.78
14951,amygdalin,bmse000139,14,72.369,5.36
14952,amygdalin,bmse000139,15,71.8621,4.67
14953,amygdalin,bmse000139,16,71.7644,5.77
14954,amygdalin,bmse000139,17,70.9831,3.34
14955,amygdalin,bmse000139,18,63.4233,3.79
14956,D_cellobiose,bmse000138,1,105.2663,8.21
14957,D_cellobiose,bmse000138,2,105.2381,5.61
14958,D_cellobiose,bmse000138,3,98.4528,7.32
14959,D_cellobiose,bmse000138,4,94.5197,4.61
14960,D_cellobiose,bmse000138,5,81.4215,4.68
14961,D_cellobiose,bmse000138,6,81.2838,7.67
14962,D_cellobiose,bmse000138,7,78.6932,12.12
14963,D_cellobiose,bmse000138,8,78.1874,12.5
14964,D_cellobiose,bmse000138,9,77.5013,7.76
14965,D_cellobiose,bmse000138,10,76.9856,7.78
14966,D_cellobiose,bmse000138,11,76.5907,7.38
14967,D_cellobiose,bmse000138,12,75.8703,9.08
14968,D_cellobiose,bmse000138,13,74.0348,4.8
14969,D_cellobiose,bmse000138,14,73.925,5.13
14970,D_cellobiose,bmse000138,15,72.8163,4.72
14971,D_cellobiose,bmse000138,16,72.1615,6.12
14972,D_cellobiose,bmse000138,17,72.1439,8.59
14973,D_cellobiose,bmse000138,18,63.2643,6.56
14974,D_cellobiose,bmse000138,19,62.74,5.36
14975,D_cellobiose,bmse000138,20,62.606,3.56
14976,gamma_D_galactonolactone,bmse000141,1,178.7234,2.86
14977,gamma_D_galactonolactone,bmse000141,2,82.7298,12.5
14978,gamma_D_galactonolactone,bmse000141,3,76.4007,12.48
14979,gamma_D_galactonolactone,bmse000141,4,75.5187,12.19
14980,gamma_D_galactonolactone,bmse000141,5,74.2346,3.63
14981,gamma_D_galactonolactone,bmse000141,6,74.0161,3.26
14982,gamma_D_galactonolactone,bmse000141,7,72.7812,3.45
14983,gamma_D_galactonolactone,bmse000141,8,72.4324,3.36
14984,gamma_D_galactonolactone,bmse000141,9,71.5773,12.34
14985,gamma_D_galactonolactone,bmse000141,10,66.0277,3.07
14986,gamma_D_galactonolactone,bmse000141,11,64.6899,11.19
14987,D_glucuronate,bmse000140,1,179.6525,1.52
14988,D_glucuronate,bmse000140,2,178.6724,2.78
14989,D_glucuronate,bmse000140,3,98.5755,11.73
14990,D_glucuronate,bmse000140,4,94.8123,7.69
14991,D_glucuronate,bmse000140,5,78.959,12.5
14992,D_glucuronate,bmse000140,6,78.2467,11.99
14993,D_glucuronate,bmse000140,7,76.6906,11.59
14994,D_glucuronate,bmse000140,8,75.2591,7.37
14995,D_glucuronate,bmse000140,9,74.8051,6.93
14996,D_glucuronate,bmse000140,10,74.5748,8
14997,D_glucuronate,bmse000140,11,74.5431,12.46
14998,D_glucuronate,bmse000140,12,73.9985,7.55
14999,L_gulonolactone,bmse000235,1,180.7006,2.42
15000,L_gulonolactone,bmse000235,2,84.0626,11.74
15001,L_gulonolactone,bmse000235,3,76.1965,2.96
15002,L_gulonolactone,bmse000235,4,75.331,3.02
15003,L_gulonolactone,bmse000235,5,74.9955,3.01
15004,L_gulonolactone,bmse000235,6,73.5223,12.5
15005,L_gulonolactone,bmse000235,7,73.1631,3.21
15006,L_gulonolactone,bmse000235,8,72.7983,12.19
15007,L_gulonolactone,bmse000235,9,72.2798,12.42
15008,L_gulonolactone,bmse000235,10,65.2205,2.74
15009,L_gulonolactone,bmse000235,11,64.1843,11.09
15010,glycogen,bmse000232,1,102.5103,8.96
15011,glycogen,bmse000232,2,79.5505,5.53
15012,glycogen,bmse000232,3,75.5834,9.32
15013,glycogen,bmse000232,4,74.2061,12.5
15014,glycogen,bmse000232,5,72.0454,4.53
15015,glycogen,bmse000232,6,63.2055,9.29
15016,melibiose,bmse000233,1,100.9084,5.19
15017,melibiose,bmse000233,2,100.8632,7.98
15018,melibiose,bmse000233,3,98.7735,7.66
15019,melibiose,bmse000233,4,94.8931,4.76
15020,melibiose,bmse000233,5,78.5818,7.97
15021,melibiose,bmse000233,6,77.0484,7.73
15022,melibiose,bmse000233,7,76.7428,7.76
15023,melibiose,bmse000233,8,75.6402,4.58
15024,melibiose,bmse000233,9,74.1149,4.63
15025,melibiose,bmse000233,10,73.6528,8.49
15026,melibiose,bmse000233,11,72.7893,4.29
15027,melibiose,bmse000233,12,72.267,4.52
15028,melibiose,bmse000233,13,72.1674,11.07
15029,melibiose,bmse000233,14,72.1167,8.55
15030,melibiose,bmse000233,15,71.8963,12.5
15031,melibiose,bmse000233,16,71.1803,5.19
15032,melibiose,bmse000233,17,71.1491,7.83
15033,melibiose,bmse000233,18,68.5995,3.44
15034,melibiose,bmse000233,19,68.5046,5.7
15035,melibiose,bmse000233,20,63.7983,7.42
15036,D_glucono_1_5_lactone,bmse000230,1,181.2312,2.98
15037,D_glucono_1_5_lactone,bmse000230,2,76.6877,12.5
15038,D_glucono_1_5_lactone,bmse000230,3,75.204,12.42
15039,D_glucono_1_5_lactone,bmse000230,4,73.8622,12.42
15040,D_glucono_1_5_lactone,bmse000230,5,73.6372,12.42
15041,D_glucono_1_5_lactone,bmse000230,6,65.3046,10.99
15042,N_acetyl_D_glucosamine,bmse000231,1,177.4899,2.8
15043,N_acetyl_D_glucosamine,bmse000231,2,177.2462,4.07
15044,N_acetyl_D_glucosamine,bmse000231,3,97.6343,8.26
15045,N_acetyl_D_glucosamine,bmse000231,4,93.5456,12.5
15046,N_acetyl_D_glucosamine,bmse000231,5,78.6606,9.02
15047,N_acetyl_D_glucosamine,bmse000231,6,76.5921,8.56
15048,N_acetyl_D_glucosamine,bmse000231,7,74.2719,12.4
15049,N_acetyl_D_glucosamine,bmse000231,8,73.3628,12.21
15050,N_acetyl_D_glucosamine,bmse000231,9,72.7507,12.34
15051,N_acetyl_D_glucosamine,bmse000231,10,72.5242,8.84
15052,N_acetyl_D_glucosamine,bmse000231,11,63.4249,7.22
15053,N_acetyl_D_glucosamine,bmse000231,12,63.2564,10.49
15054,N_acetyl_D_glucosamine,bmse000231,13,59.3824,8.25
15055,N_acetyl_D_glucosamine,bmse000231,14,56.8002,11.86
15056,N_acetyl_D_glucosamine,bmse000231,15,24.8865,6.38
15057,N_acetyl_D_glucosamine,bmse000231,16,24.609,9.19
15058,polygalacturonic_acid,bmse000228,1,178.1914,12.5
15059,polygalacturonic_acid,bmse000228,2,101.6522,9.97
15060,polygalacturonic_acid,bmse000228,3,80.5569,9.65
15061,polygalacturonic_acid,bmse000228,4,73.9772,8.45
15062,polygalacturonic_acid,bmse000228,5,71.4996,8.28
15063,polygalacturonic_acid,bmse000228,6,70.7598,8.29
15064,polygalacturonic_acid,bmse000228,7,26.4074,3.65
15065,D_saccharate,bmse000239,1,181.3679,2.13
15066,D_saccharate,bmse000239,2,181.237,1.95
15067,D_saccharate,bmse000239,3,76.4264,11.96
15068,D_saccharate,bmse000239,4,76.4165,12.5
15069,D_saccharate,bmse000239,5,76.2846,9.51
15070,D_saccharate,bmse000239,6,74.3621,9.95
15071,stachyose,bmse000240,1,106.5168,12.21
15072,stachyose,bmse000240,2,101.06,8.92
15073,stachyose,bmse000240,3,100.7169,10.76
15074,stachyose,bmse000240,4,94.8219,8.89
15075,stachyose,bmse000240,5,84.0524,9.16
15076,stachyose,bmse000240,6,78.9976,9.04
15077,stachyose,bmse000240,7,76.6795,9.2
15078,stachyose,bmse000240,8,75.4111,9
15079,stachyose,bmse000240,9,73.9757,8.23
15080,stachyose,bmse000240,10,73.7006,10.47
15081,stachyose,bmse000240,11,73.6476,9.63
15082,stachyose,bmse000240,12,72.1972,12.5
15083,stachyose,bmse000240,13,72.173,10.25
15084,stachyose,bmse000240,14,72.0684,10.06
15085,stachyose,bmse000240,15,72.0362,10.92
15086,stachyose,bmse000240,16,71.9303,12.49
15087,stachyose,bmse000240,17,71.5019,8.73
15088,stachyose,bmse000240,18,71.1393,9.07
15089,stachyose,bmse000240,19,70.9835,10.63
15090,stachyose,bmse000240,20,69.1734,6.48
15091,stachyose,bmse000240,21,68.5201,5.87
15092,stachyose,bmse000240,22,65.1886,8.65
15093,stachyose,bmse000240,23,64.0756,7.23
15094,stachyose,bmse000240,24,63.8499,10.36
15095,L_tartaric_acid,bmse000167,1,181.2992,12.5
15096,D_xylonate_cadmium,bmse000166,1,181.2863,3.14
15097,D_xylonate_cadmium,bmse000166,2,75.334,10.18
15098,D_xylonate_cadmium,bmse000166,3,75.0844,12.5
15099,D_xylonate_cadmium,bmse000166,4,65.059,9.59
15100,N_acetyl_D_glucosamine_1_phosphate,bmse000163,1,177.4252,6.68
15101,N_acetyl_D_glucosamine_1_phosphate,bmse000163,2,95.4941,6.42
15102,N_acetyl_D_glucosamine_1_phosphate,bmse000163,3,95.4396,6.74
15103,N_acetyl_D_glucosamine_1_phosphate,bmse000163,4,74.801,12.35
15104,N_acetyl_D_glucosamine_1_phosphate,bmse000163,5,74.139,11.43
15105,N_acetyl_D_glucosamine_1_phosphate,bmse000163,6,72.7232,12.5
15106,N_acetyl_D_glucosamine_1_phosphate,bmse000163,7,63.4049,10.26
15107,N_acetyl_D_glucosamine_1_phosphate,bmse000163,8,60.1376,1.31
15108,N_acetyl_D_glucosamine_1_phosphate,bmse000163,9,56.8998,5.8
15109,N_acetyl_D_glucosamine_1_phosphate,bmse000163,10,56.8264,6.12
15110,N_acetyl_D_glucosamine_1_phosphate,bmse000163,11,24.8578,11.78
15111,N_acetyl_D_glucosamine_1_phosphate,bmse000163,12,19.5062,1.22
15112,L_ornithine,bmse000162,1,177.052,2.52
15113,L_ornithine,bmse000162,2,56.8032,12.42
15114,L_ornithine,bmse000162,3,41.5581,10.67
15115,L_ornithine,bmse000162,4,30.183,12.5
15116,L_ornithine,bmse000162,5,25.4674,10.78
15117,D_alanine,bmse000236,1,178.5839,1.59
15118,D_alanine,bmse000236,2,53.2011,9.79
15119,D_alanine,bmse000236,3,18.8519,12.5
15120,4_nitrophenol,bmse000223,1,130.0111,12.5
15121,4_nitrophenol,bmse000223,2,129.9947,12.29
15122,4_nitrophenol,bmse000223,3,120.3011,8.51
15123,4_nitrophenol,bmse000223,4,120.2591,10.79
15124,D_L_glyceraldehyde,bmse000225,1,92.4597,11.03
15125,D_L_glyceraldehyde,bmse000225,2,76.7639,11.48
15126,D_L_glyceraldehyde,bmse000225,3,64.6759,12.5
15127,4_hydroxycinnamic_acid,bmse000150,1,178.908,1.38
15128,4_hydroxycinnamic_acid,bmse000150,2,159.818,1.85
15129,4_hydroxycinnamic_acid,bmse000150,3,143.5246,4.55
15130,4_hydroxycinnamic_acid,bmse000150,4,132.2994,11.74
15131,4_hydroxycinnamic_acid,bmse000150,5,130.1932,2.25
15132,4_hydroxycinnamic_acid,bmse000150,6,124.1229,4.91
15133,4_hydroxycinnamic_acid,bmse000150,7,118.5321,12.5
15134,alpha_D_galactose_1_phosphate,bmse000151,1,96.62,5.96
15135,alpha_D_galactose_1_phosphate,bmse000151,2,96.566,5.93
15136,alpha_D_galactose_1_phosphate,bmse000151,3,73.8281,11.4
15137,alpha_D_galactose_1_phosphate,bmse000151,4,72.304,10.42
15138,alpha_D_galactose_1_phosphate,bmse000151,5,72.1558,12.5
15139,alpha_D_galactose_1_phosphate,bmse000151,6,71.7402,5.87
15140,alpha_D_galactose_1_phosphate,bmse000151,7,71.6737,5.84
15141,alpha_D_galactose_1_phosphate,bmse000151,8,64.0705,10.09
15142,dAMP,bmse000250,1,155.0627,3.71
15143,dAMP,bmse000250,2,142.9366,3.42
15144,dAMP,bmse000250,3,90.1821,11.54
15145,dAMP,bmse000250,4,87.3797,7.1
15146,dAMP,bmse000250,5,74.0139,10.26
15147,dAMP,bmse000250,6,64.4148,12.5
15148,dAMP,bmse000250,7,41.7694,7.82
15149,Oxalosuccinate,bmse000251,1,184.1371,2.15
15150,Oxalosuccinate,bmse000251,2,172.7664,1.95
15151,Oxalosuccinate,bmse000251,3,52.8383,1.48
15152,Oxalosuccinate,bmse000251,4,38.5758,5.93
15153,Oxalosuccinate,bmse000251,5,38.454,1.48
15154,Oxalosuccinate,bmse000251,6,38.2644,1.54
15155,Oxalosuccinate,bmse000251,7,38.0683,1.39
15156,Oxalosuccinate,bmse000251,8,36.9355,3.83
15157,Oxalosuccinate,bmse000251,9,35.3007,1.19
15158,Oxalosuccinate,bmse000251,10,34.9692,1.16
15159,Oxalosuccinate,bmse000251,11,33.3147,5.48
15160,Oxalosuccinate,bmse000251,12,33.2611,6.95
15161,Oxalosuccinate,bmse000251,13,33.2048,12.5
15162,Oxalosuccinate,bmse000251,14,25.9719,1.99
15163,Salicylate,bmse000252,1,178.336,1.8
15164,Salicylate,bmse000252,2,162.3095,1.9
15165,Salicylate,bmse000252,3,136.7054,12.5
15166,Salicylate,bmse000252,4,133.2002,11.8
15167,Salicylate,bmse000252,5,122.0978,11.69
15168,Salicylate,bmse000252,6,120.713,2.32
15169,Salicylate,bmse000252,7,119.007,12.31
15170,dADP,bmse000253,1,158.1421,4.9
15171,dADP,bmse000253,2,155.3005,9.18
15172,dADP,bmse000253,3,151.2181,2.23
15173,dADP,bmse000253,4,142.6258,3.6
15174,dADP,bmse000253,5,121.1832,1.88
15175,dADP,bmse000253,6,88.4189,5.03
15176,dADP,bmse000253,7,88.3329,5.02
15177,dADP,bmse000253,8,86.1412,10.03
15178,dADP,bmse000253,9,73.3197,12.5
15179,dADP,bmse000253,10,67.3652,4.1
15180,dADP,bmse000253,11,67.3129,3.98
15181,dADP,bmse000253,12,41.5514,9.81
15182,D_Fructose_1_phosphate,bmse000254,1,100.8301,3.74
15183,D_Fructose_1_phosphate,bmse000254,2,100.7578,3.97
15184,D_Fructose_1_phosphate,bmse000254,3,83.1443,1.21
15185,D_Fructose_1_phosphate,bmse000254,4,78.79,1.8
15186,D_Fructose_1_phosphate,bmse000254,5,76.8304,1.21
15187,D_Fructose_1_phosphate,bmse000254,6,72.0493,12.5
15188,D_Fructose_1_phosphate,bmse000254,7,71.8351,11.69
15189,D_Fructose_1_phosphate,bmse000254,8,70.5098,12.35
15190,D_Fructose_1_phosphate,bmse000254,9,68.9967,5.19
15191,D_Fructose_1_phosphate,bmse000254,10,68.9492,5.25
15192,D_Fructose_1_phosphate,bmse000254,11,66.0887,9.73
15193,D_Fructose_1_phosphate,bmse000254,12,64.969,2.12
15194,D_Fructose_1_phosphate,bmse000254,13,64.1264,1.29
15195,ITP,bmse000255,1,161.4399,4.25
15196,ITP,bmse000255,2,151.5943,2.62
15197,ITP,bmse000255,3,149.0201,9.65
15198,ITP,bmse000255,4,142.5226,5.74
15199,ITP,bmse000255,5,126.3562,2.24
15200,ITP,bmse000255,6,90.276,1.56
15201,ITP,bmse000255,7,89.9312,10.81
15202,ITP,bmse000255,8,86.8306,5.65
15203,ITP,bmse000255,9,86.7415,5.81
15204,ITP,bmse000255,10,77.2254,2.18
15205,ITP,bmse000255,11,77.1273,12.5
15206,ITP,bmse000255,12,72.8596,11.68
15207,ITP,bmse000255,13,72.5243,2.14
15208,ITP,bmse000255,14,67.7479,4.35
15209,ITP,bmse000255,15,67.695,4.23
15210,Formaldehyde,bmse000256,1,84.4358,12.5
15211,FMN,bmse000257,1,163.2526,6.78
15212,FMN,bmse000257,2,160.3175,7.33
15213,FMN,bmse000257,3,153.429,6.6
15214,FMN,bmse000257,4,152.3129,4.11
15215,FMN,bmse000257,5,142.1584,7.18
15216,FMN,bmse000257,6,136.6282,6.86
15217,FMN,bmse000257,7,136.1877,6.82
15218,FMN,bmse000257,8,134.1083,4
15219,FMN,bmse000257,9,132.8224,4.98
15220,FMN,bmse000257,10,119.7064,4.78
15221,FMN,bmse000257,11,75.2209,6.14
15222,FMN,bmse000257,12,74.4868,3.9
15223,FMN,bmse000257,13,74.4237,3.92
15224,FMN,bmse000257,14,72.0087,6.36
15225,FMN,bmse000257,15,67.8012,3.52
15226,FMN,bmse000257,16,50.1474,2.93
15227,FMN,bmse000257,17,23.466,11.62
15228,FMN,bmse000257,18,21.3437,12.5
15229,Glycolaldehyde,bmse000258,1,92.374,9.81
15230,Glycolaldehyde,bmse000258,2,67.1623,12.5
15231,4_Hydroxybenzaldehyde,bmse000259,1,197.0798,3.76
15232,4_Hydroxybenzaldehyde,bmse000259,2,136.1538,9.71
15233,4_Hydroxybenzaldehyde,bmse000259,3,129.545,1.03
15234,4_Hydroxybenzaldehyde,bmse000259,4,119.8609,12.5
15235,Nicotinamide_D_ribonucleotide,bmse000260,1,175.8236,3.35
15236,Nicotinamide_D_ribonucleotide,bmse000260,2,141.0654,10.52
15237,Nicotinamide_D_ribonucleotide,bmse000260,3,127.6138,9.12
15238,Nicotinamide_D_ribonucleotide,bmse000260,4,108.182,10.66
15239,Nicotinamide_D_ribonucleotide,bmse000260,5,103.4044,6.52
15240,Nicotinamide_D_ribonucleotide,bmse000260,6,103.1839,1.61
15241,Nicotinamide_D_ribonucleotide,bmse000260,7,97.6396,11.48
15242,Nicotinamide_D_ribonucleotide,bmse000260,8,85.9422,6.34
15243,Nicotinamide_D_ribonucleotide,bmse000260,9,85.8555,6.04
15244,Nicotinamide_D_ribonucleotide,bmse000260,10,80.4925,1.81
15245,Nicotinamide_D_ribonucleotide,bmse000260,11,74.2063,1.79
15246,Nicotinamide_D_ribonucleotide,bmse000260,12,73.4952,12.5
15247,Nicotinamide_D_ribonucleotide,bmse000260,13,73.3372,12.21
15248,Nicotinamide_D_ribonucleotide,bmse000260,14,66.7617,5.06
15249,Nicotinamide_D_ribonucleotide,bmse000260,15,66.7167,4.78
15250,Nicotinamide_D_ribonucleotide,bmse000260,16,24.6964,9.6
15251,Acetyl_phosphate,bmse000261,1,175.0096,3.44
15252,Acetyl_phosphate,bmse000261,2,25.9801,10.24
15253,Acetyl_phosphate,bmse000261,3,24.7883,12.5
15254,Acetyl_phosphate,bmse000261,4,24.7425,11.1
15255,3_4_Hydroxyphenyl_pyruvate,bmse000262,1,157.3242,1.3
15256,3_4_Hydroxyphenyl_pyruvate,bmse000262,2,133.865,7.91
15257,3_4_Hydroxyphenyl_pyruvate,bmse000262,3,118.3826,12.5
15258,3_4_Hydroxyphenyl_pyruvate,bmse000262,4,117.7478,1.45
15259,NADP,bmse000263,1,167.8496,4.47
15260,NADP,bmse000263,2,158.1147,5.39
15261,NADP,bmse000263,3,155.428,9.01
15262,NADP,bmse000263,4,151.6757,5.76
15263,NADP,bmse000263,5,148.3745,7.75
15264,NADP,bmse000263,6,145.0167,6.29
15265,NADP,bmse000263,7,142.8886,8.29
15266,NADP,bmse000263,8,142.5477,5.92
15267,NADP,bmse000263,9,136.304,8.28
15268,NADP,bmse000263,10,131.3453,8.51
15269,NADP,bmse000263,11,121.1612,3.82
15270,NADP,bmse000263,12,102.729,11.11
15271,NADP,bmse000263,13,89.8221,5.86
15272,NADP,bmse000263,14,89.7336,5.64
15273,NADP,bmse000263,15,89.2538,5.26
15274,NADP,bmse000263,16,89.1719,5.28
15275,NADP,bmse000263,17,85.7472,5.48
15276,NADP,bmse000263,18,85.6577,5.52
15277,NADP,bmse000263,19,80.3221,12.5
15278,NADP,bmse000263,20,78.7636,5.55
15279,NADP,bmse000263,21,78.722,5.71
15280,NADP,bmse000263,22,73.3731,12.23
15281,NADP,bmse000263,23,72.7335,7.06
15282,NADP,bmse000263,24,68.2193,4.11
15283,NADP,bmse000263,25,67.6754,4.43
15284,NADP,bmse000263,26,57.0544,1.98
15285,4_Nitrophenyl_phosphate,bmse000264,1,163.0405,1.08
15286,4_Nitrophenyl_phosphate,bmse000264,2,144.5179,1.04
15287,4_Nitrophenyl_phosphate,bmse000264,3,128.4131,12.5
15288,4_Nitrophenyl_phosphate,bmse000264,4,122.6671,7.06
15289,4_Nitrophenyl_phosphate,bmse000264,5,122.6148,7.04
15290,4_Nitrocatechol,bmse000265,1,164.1278,1.69
15291,4_Nitrocatechol,bmse000265,2,148.5107,2.32
15292,4_Nitrocatechol,bmse000265,3,138.4594,1.3
15293,4_Nitrocatechol,bmse000265,4,122.9045,11.12
15294,4_Nitrocatechol,bmse000265,5,118.6529,12.08
15295,4_Nitrocatechol,bmse000265,6,112.45,12.5
15296,UDP,bmse000266,1,169.0888,5
15297,UDP,bmse000266,2,154.545,3.74
15298,UDP,bmse000266,3,144.5243,8.52
15299,UDP,bmse000266,4,105.234,10.35
15300,UDP,bmse000266,5,91.4445,11.2
15301,UDP,bmse000266,6,85.9024,5.62
15302,UDP,bmse000266,7,85.8136,5.66
15303,UDP,bmse000266,8,76.5959,12.5
15304,UDP,bmse000266,9,71.8259,11.92
15305,UDP,bmse000266,10,66.8315,4.4
15306,UDP,bmse000266,11,66.7792,4.54
15307,Formamide,bmse000267,1,169.4492,12.5
15308,R_Lactate,bmse000269,1,185.265,2.92
15309,R_Lactate,bmse000269,2,71.1978,10.49
15310,R_Lactate,bmse000269,3,22.7641,12.5
15311,GDP,bmse000270,1,161.6068,4.89
15312,GDP,bmse000270,2,156.6326,5.27
15313,GDP,bmse000270,3,154.1538,4.67
15314,GDP,bmse000270,4,140.2801,1.14
15315,GDP,bmse000270,5,140.1096,6.84
15316,GDP,bmse000270,6,118.7579,3.69
15317,GDP,bmse000270,7,89.8065,11.14
15318,GDP,bmse000270,8,86.2198,5.66
15319,GDP,bmse000270,9,86.132,5.77
15320,GDP,bmse000270,10,76.7534,12.5
15321,GDP,bmse000270,11,72.5131,12.28
15322,GDP,bmse000270,12,67.1729,4.45
15323,GDP,bmse000270,13,67.1215,4.26
15324,CoA,bmse000271,1,177.6817,2.7
15325,CoA,bmse000271,2,177.4294,8.2
15326,CoA,bmse000271,3,176.8233,2.08
15327,CoA,bmse000271,4,176.7106,6.6
15328,CoA,bmse000271,5,158.389,5.21
15329,CoA,bmse000271,6,155.6654,8.04
15330,CoA,bmse000271,7,155.5753,5.97
15331,CoA,bmse000271,8,152.1398,5.55
15332,CoA,bmse000271,9,152.0219,2.76
15333,CoA,bmse000271,10,142.9347,4.88
15334,CoA,bmse000271,11,142.6212,6.68
15335,CoA,bmse000271,12,121.3186,3.76
15336,CoA,bmse000271,13,89.3885,6.08
15337,CoA,bmse000271,14,89.1901,9.09
15338,CoA,bmse000271,15,87.3585,1.54
15339,CoA,bmse000271,16,87.3087,1.85
15340,CoA,bmse000271,17,87.2237,1.74
15341,CoA,bmse000271,18,86.8498,2.3
15342,CoA,bmse000271,19,86.7595,2.57
15343,CoA,bmse000271,20,85.3884,1.1
15344,CoA,bmse000271,21,79.6453,1.28
15345,CoA,bmse000271,22,79.1396,1.19
15346,CoA,bmse000271,23,78.2226,1.22
15347,CoA,bmse000271,24,77.5422,4.25
15348,CoA,bmse000271,25,77.2177,3.82
15349,CoA,bmse000271,26,77.1851,3.69
15350,CoA,bmse000271,27,76.9949,5.4
15351,CoA,bmse000271,28,76.9604,4.74
15352,CoA,bmse000271,29,76.7805,9.52
15353,CoA,bmse000271,30,76.4673,4.19
15354,CoA,bmse000271,31,76.4236,8.22
15355,CoA,bmse000271,32,76.3796,5.46
15356,CoA,bmse000271,33,74.5542,4.24
15357,CoA,bmse000271,34,74.4922,3.65
15358,CoA,bmse000271,35,73.328,2.2
15359,CoA,bmse000271,36,73.2765,1.86
15360,CoA,bmse000271,37,68.4744,3.83
15361,CoA,bmse000271,38,68.4222,3.88
15362,CoA,bmse000271,39,66.6691,2.47
15363,CoA,bmse000271,40,66.6238,2.86
15364,CoA,bmse000271,41,45.0428,4.93
15365,CoA,bmse000271,42,44.9976,11.76
15366,CoA,bmse000271,43,44.9048,1.18
15367,CoA,bmse000271,44,41.1259,2.81
15368,CoA,bmse000271,45,41.0359,6.14
15369,CoA,bmse000271,46,40.9558,6.01
15370,CoA,bmse000271,47,40.7593,1.76
15371,CoA,bmse000271,48,39.1263,1.74
15372,CoA,bmse000271,49,38.2973,1.72
15373,CoA,bmse000271,50,38.1621,9.87
15374,CoA,bmse000271,51,38.0817,9.25
15375,CoA,bmse000271,52,25.7997,12.5
15376,CoA,bmse000271,53,24.0869,1.45
15377,CoA,bmse000271,54,23.9984,3.96
15378,CoA,bmse000271,55,23.5128,8.93
15379,CoA,bmse000271,56,22.6789,1.36
15380,CoA,bmse000271,57,20.9419,3.81
15381,CoA,bmse000271,58,20.7819,9.63
15382,CoA,bmse000271,59,20.1012,1.78
15383,CDP,bmse000272,1,168.8761,4.9
15384,CDP,bmse000272,2,160.4002,4.39
15385,CDP,bmse000272,3,144.5698,1.09
15386,CDP,bmse000272,4,144.266,8.55
15387,CDP,bmse000272,5,99.3648,1.46
15388,CDP,bmse000272,6,99.2242,9.38
15389,CDP,bmse000272,7,92.2295,11.24
15390,CDP,bmse000272,8,91.8456,1.72
15391,CDP,bmse000272,9,85.3396,5.74
15392,CDP,bmse000272,10,85.2502,5.69
15393,CDP,bmse000272,11,77.0076,12.5
15394,CDP,bmse000272,12,72.3706,1.47
15395,CDP,bmse000272,13,71.4858,12.07
15396,CDP,bmse000272,14,66.6366,4.51
15397,CDP,bmse000272,15,66.5841,4.41
15398,D_Aspartate,bmse000273,1,180.3052,2.2
15399,D_Aspartate,bmse000273,2,177.0122,1.98
15400,D_Aspartate,bmse000273,3,54.9072,9.91
15401,D_Aspartate,bmse000273,4,39.2644,12.5
15402,Thiamin,bmse000274,1,171.726,5.58
15403,Thiamin,bmse000274,2,164.5163,3.11
15404,Thiamin,bmse000274,3,159.8969,10.99
15405,Thiamin,bmse000274,4,145.552,3.59
15406,Thiamin,bmse000274,5,138.7379,4.97
15407,Thiamin,bmse000274,6,107.1899,6.29
15408,Thiamin,bmse000274,7,63.1255,12.5
15409,Thiamin,bmse000274,8,53.7574,10.69
15410,Thiamin,bmse000274,9,31.9248,12.41
15411,Thiamin,bmse000274,10,26.7632,11.25
15412,Thiamin,bmse000274,11,13.8517,12.02
15413,D_Fructose_2_6_bisphosphate,bmse000275,1,106.8714,4.79
15414,D_Fructose_2_6_bisphosphate,bmse000275,2,106.8017,4.74
15415,D_Fructose_2_6_bisphosphate,bmse000275,3,82.9825,6.41
15416,D_Fructose_2_6_bisphosphate,bmse000275,4,82.912,6.28
15417,D_Fructose_2_6_bisphosphate,bmse000275,5,80.0513,6.58
15418,D_Fructose_2_6_bisphosphate,bmse000275,6,80.0052,6.39
15419,D_Fructose_2_6_bisphosphate,bmse000275,7,78.0543,12.5
15420,D_Fructose_2_6_bisphosphate,bmse000275,8,68.3553,5.53
15421,D_Fructose_2_6_bisphosphate,bmse000275,9,68.3079,5.71
15422,D_Fructose_2_6_bisphosphate,bmse000275,10,65.2002,7.1
15423,D_Fructose_2_6_bisphosphate,bmse000275,11,60.1397,1.11
15424,D_Fructose_2_6_bisphosphate,bmse000275,12,19.51,1.19
15425,Ethanolamine,bmse000276,1,60.3171,12.5
15426,Ethanolamine,bmse000276,2,43.9507,8.05
15427,CTP,bmse000277,1,168.8983,5.15
15428,CTP,bmse000277,2,160.5208,4.42
15429,CTP,bmse000277,3,144.2311,8.6
15430,CTP,bmse000277,4,99.3524,9.52
15431,CTP,bmse000277,5,91.8085,11.04
15432,CTP,bmse000277,6,85.501,5.68
15433,CTP,bmse000277,7,85.4107,5.57
15434,CTP,bmse000277,8,77.0203,1.35
15435,CTP,bmse000277,9,76.8989,12.5
15436,CTP,bmse000277,10,71.7933,11.89
15437,CTP,bmse000277,11,71.4631,1.06
15438,CTP,bmse000277,12,67.272,4.2
15439,CTP,bmse000277,13,67.2177,4.39
15440,D_Ribulose_5_phosphate,bmse000278,1,103.8241,7.82
15441,D_Ribulose_5_phosphate,bmse000278,2,98.9771,2.24
15442,D_Ribulose_5_phosphate,bmse000278,3,85.3023,1.6
15443,D_Ribulose_5_phosphate,bmse000278,4,84.6704,3.81
15444,D_Ribulose_5_phosphate,bmse000278,5,84.5875,4.13
15445,D_Ribulose_5_phosphate,bmse000278,6,78.03,9.99
15446,D_Ribulose_5_phosphate,bmse000278,7,73.4112,12.5
15447,D_Ribulose_5_phosphate,bmse000278,8,72.931,3.83
15448,D_Ribulose_5_phosphate,bmse000278,9,67.3547,5.39
15449,D_Ribulose_5_phosphate,bmse000278,10,67.3093,5.5
15450,D_Ribulose_5_phosphate,bmse000278,11,66.4813,2.3
15451,Urocanate,bmse000279,1,178.6198,2.5
15452,Urocanate,bmse000279,2,140.3626,11.29
15453,Urocanate,bmse000279,3,137.0776,2.14
15454,Urocanate,bmse000279,4,133.668,10.36
15455,Urocanate,bmse000279,5,124.4849,12.5
15456,Urocanate,bmse000279,6,123.9802,8.38
15457,UMP,bmse000280,1,169.0839,4.57
15458,UMP,bmse000280,2,154.6578,3.41
15459,UMP,bmse000280,3,144.8275,8.54
15460,UMP,bmse000280,4,105.3924,10.43
15461,UMP,bmse000280,5,91.006,11.31
15462,UMP,bmse000280,6,86.9204,5.97
15463,UMP,bmse000280,7,86.8326,6.05
15464,UMP,bmse000280,8,76.6643,12.5
15465,UMP,bmse000280,9,72.7729,12.16
15466,UMP,bmse000280,10,65.9126,4.79
15467,UMP,bmse000280,11,65.8681,4.9
15468,Nicotinamide,bmse000281,1,154.5266,12.5
15469,Nicotinamide,bmse000281,2,150.344,11.49
15470,Nicotinamide,bmse000281,3,139.1539,11.48
15471,Nicotinamide,bmse000281,4,131.9398,1.76
15472,Nicotinamide,bmse000281,5,126.9235,10.76
15473,DL_Alanine,bmse000282,1,178.5738,1.77
15474,DL_Alanine,bmse000282,2,53.2017,9.6
15475,DL_Alanine,bmse000282,3,18.85,12.5
15476,Orotate,bmse000283,1,104.064,12.5
15477,Benzonitrile,bmse000284,1,136.2019,8.6
15478,Benzonitrile,bmse000284,2,135.1116,12.5
15479,Benzonitrile,bmse000284,3,131.8912,12.48
15480,Choline,bmse000285,1,70.1479,3.39
15481,Choline,bmse000285,2,70.1177,3.59
15482,Choline,bmse000285,3,70.0875,3.34
15483,Choline,bmse000285,4,58.3089,8.06
15484,Choline,bmse000285,5,56.621,11.8
15485,Choline,bmse000285,6,56.5813,12.5
15486,Choline,bmse000285,7,56.542,12.01
15487,Acetophenone,bmse000286,1,136.8469,7.17
15488,Acetophenone,bmse000286,2,131.5104,12.5
15489,Acetophenone,bmse000286,3,131.2516,11.84
15490,Acetophenone,bmse000286,4,28.9711,3.47
15491,Pantothenate,bmse000287,1,183.0208,3.24
15492,Pantothenate,bmse000287,2,177.6531,4.02
15493,Pantothenate,bmse000287,3,78.4586,12.5
15494,Pantothenate,bmse000287,4,71.0985,10.81
15495,Pantothenate,bmse000287,5,41.2778,8.26
15496,Pantothenate,bmse000287,6,39.3779,10.45
15497,Pantothenate,bmse000287,7,38.8533,9.94
15498,Pantothenate,bmse000287,8,23.2349,9.96
15499,Pantothenate,bmse000287,9,21.8424,10.1
15500,Pyridoxine,bmse000288,1,163.4259,2.28
15501,Pyridoxine,bmse000288,2,146.9983,3.52
15502,Pyridoxine,bmse000288,3,141.4468,3.78
15503,Pyridoxine,bmse000288,4,138.1842,4.52
15504,Pyridoxine,bmse000288,5,127.4073,3.84
15505,Pyridoxine,bmse000288,6,61.4656,12.5
15506,Pyridoxine,bmse000288,7,58.6687,10.33
15507,Pyridoxine,bmse000288,8,18.2013,8.23
15508,S_Adenosyl_L_homocysteine,bmse000289,1,176.8876,4.61
15509,S_Adenosyl_L_homocysteine,bmse000289,2,158.3878,3.44
15510,S_Adenosyl_L_homocysteine,bmse000289,3,155.6615,9.39
15511,S_Adenosyl_L_homocysteine,bmse000289,4,151.6956,3.2
15512,S_Adenosyl_L_homocysteine,bmse000289,5,142.814,7.91
15513,S_Adenosyl_L_homocysteine,bmse000289,6,121.5644,2.04
15514,S_Adenosyl_L_homocysteine,bmse000289,7,90.125,10.63
15515,S_Adenosyl_L_homocysteine,bmse000289,8,90.0104,2.04
15516,S_Adenosyl_L_homocysteine,bmse000289,9,86.1029,11.9
15517,S_Adenosyl_L_homocysteine,bmse000289,10,75.9715,11.38
15518,S_Adenosyl_L_homocysteine,bmse000289,11,75.0004,12.5
15519,S_Adenosyl_L_homocysteine,bmse000289,12,56.4364,10.43
15520,S_Adenosyl_L_homocysteine,bmse000289,13,36.2065,8.4
15521,S_Adenosyl_L_homocysteine,bmse000289,14,33.1203,8.91
15522,S_Adenosyl_L_homocysteine,bmse000289,15,30.4627,9.14
15523,Phenol,bmse000290,1,132.703,11.87
15524,Phenol,bmse000290,2,123.3534,6.56
15525,Phenol,bmse000290,3,118.0886,12.5
15526,Selenomethionine,bmse000291,1,176.8764,2.7
15527,Selenomethionine,bmse000291,2,57.3265,11.71
15528,Selenomethionine,bmse000291,3,33.5106,11.73
15529,Selenomethionine,bmse000291,4,21.8408,12.5
15530,Selenomethionine,bmse000291,5,5.875,6.96
15531,UDPglucuronate,bmse000292,1,179.1513,4.63
15532,UDPglucuronate,bmse000292,2,169.0242,5.14
15533,UDPglucuronate,bmse000292,3,154.6097,3.93
15534,UDPglucuronate,bmse000292,4,144.2873,8.42
15535,UDPglucuronate,bmse000292,5,105.4108,10.1
15536,UDPglucuronate,bmse000292,6,98.1166,5.83
15537,UDPglucuronate,bmse000292,7,98.0506,5.78
15538,UDPglucuronate,bmse000292,8,91.0126,10.69
15539,UDPglucuronate,bmse000292,9,86.0368,5.52
15540,UDPglucuronate,bmse000292,10,85.9455,5.68
15541,UDPglucuronate,bmse000292,11,76.498,12.5
15542,UDPglucuronate,bmse000292,12,75.7603,10.99
15543,UDPglucuronate,bmse000292,13,75.2986,10.18
15544,UDPglucuronate,bmse000292,14,74.5675,11.19
15545,UDPglucuronate,bmse000292,15,74.1227,5.66
15546,UDPglucuronate,bmse000292,16,74.0395,5.54
15547,UDPglucuronate,bmse000292,17,72.367,11.96
15548,UDPglucuronate,bmse000292,18,67.7081,4.35
15549,UDPglucuronate,bmse000292,19,67.6532,4.54
15550,UDPglucuronate,bmse000292,20,60.142,1.01
15551,UDPglucuronate,bmse000292,21,19.5053,1.3
15552,Hydroquinone,bmse000293,1,151.6552,1.09
15553,Hydroquinone,bmse000293,2,119.0705,12.5
15554,Methanol,bmse000294,1,51.571,12.5
15555,Methanol,bmse000294,2,8.3835,1.29
15556,UTP,bmse000295,1,169.0527,4.84
15557,UTP,bmse000295,2,154.6305,3.56
15558,UTP,bmse000295,3,144.4685,8.62
15559,UTP,bmse000295,4,105.3558,9.9
15560,UTP,bmse000295,5,90.9803,10.91
15561,UTP,bmse000295,6,86.0794,5.45
15562,UTP,bmse000295,7,85.9897,5.66
15563,UTP,bmse000295,8,76.4645,12.5
15564,UTP,bmse000295,9,72.1667,11.59
15565,UTP,bmse000295,10,67.5196,4.26
15566,UTP,bmse000295,11,67.4644,4.32
15567,UTP,bmse000295,12,60.1427,1.1
15568,dTMP,bmse000296,1,169.2356,1.23
15569,dTMP,bmse000296,2,160.5265,1.29
15570,dTMP,bmse000296,3,154.4333,1.31
15571,dTMP,bmse000296,4,140.1216,3.35
15572,dTMP,bmse000296,5,114.2982,2.37
15573,dTMP,bmse000296,6,88.3382,2.04
15574,dTMP,bmse000296,7,88.2519,1.87
15575,dTMP,bmse000296,8,87.8416,3.66
15576,dTMP,bmse000296,9,73.7576,4.03
15577,dTMP,bmse000296,10,69.7071,3.43
15578,dTMP,bmse000296,11,69.6331,3.39
15579,dTMP,bmse000296,12,68.674,6.88
15580,dTMP,bmse000296,13,67.0077,1.54
15581,dTMP,bmse000296,14,66.9519,1.6
15582,dTMP,bmse000296,15,57.1741,5.62
15583,dTMP,bmse000296,16,50.7174,6.42
15584,dTMP,bmse000296,17,47.4494,6.5
15585,dTMP,bmse000296,18,41.3959,3.4
15586,dTMP,bmse000296,19,35.6124,12.5
15587,dTMP,bmse000296,20,27.378,11.97
15588,dTMP,bmse000296,21,27.3297,7.39
15589,dTMP,bmse000296,22,14.3887,4.03
15590,Ethanol,bmse000297,1,60.1347,10.57
15591,Ethanol,bmse000297,2,19.4922,12.5
15592,D_Glyceraldehyde,bmse000298,1,92.4619,11.47
15593,D_Glyceraldehyde,bmse000298,2,76.7643,11.97
15594,D_Glyceraldehyde,bmse000298,3,67.5383,2.02
15595,D_Glyceraldehyde,bmse000298,4,64.6757,12.5
15596,Folate,bmse000299,1,185.1947,10.02
15597,Folate,bmse000299,2,182.1813,8.33
15598,Folate,bmse000299,3,171.6618,6.23
15599,Folate,bmse000299,4,167.4706,1.1
15600,Folate,bmse000299,5,156.8561,3.58
15601,Folate,bmse000299,6,154.9662,1.2
15602,Folate,bmse000299,7,152.4534,5.63
15603,Folate,bmse000299,8,150.9644,2.57
15604,Folate,bmse000299,9,150.4027,4.37
15605,Folate,bmse000299,10,131.6987,1.03
15606,Folate,bmse000299,11,131.3015,7.38
15607,Folate,bmse000299,12,129.0129,4.84
15608,Folate,bmse000299,13,123.0856,5.17
15609,Folate,bmse000299,14,113.9108,6.41
15610,Folate,bmse000299,15,58.6333,8.76
15611,Folate,bmse000299,16,47.4239,2.98
15612,Folate,bmse000299,17,37.0651,12.5
15613,Folate,bmse000299,18,31.1742,7.87
15614,Benzoate,bmse000300,1,138.9121,1.04
15615,Benzoate,bmse000300,2,133.9731,7.03
15616,Benzoate,bmse000300,3,131.4957,12.46
15617,Benzoate,bmse000300,4,131.0181,12.5
15618,1_3_diaminopropane,bmse000001,1,39.3182,12.5
15619,1_3_diaminopropane,bmse000001,2,27.6038,6.62
15620,2_3_diphospho_D_glyceric_acid,bmse000002,1,180.6244,6.14
15621,2_3_diphospho_D_glyceric_acid,bmse000002,2,77.8926,9.81
15622,2_3_diphospho_D_glyceric_acid,bmse000002,3,77.8397,8.95
15623,2_3_diphospho_D_glyceric_acid,bmse000002,4,77.8017,8.58
15624,2_3_diphospho_D_glyceric_acid,bmse000002,5,77.7593,8.04
15625,2_3_diphospho_D_glyceric_acid,bmse000002,6,69.2089,12.5
15626,2_deoxyguanosine,bmse000003,1,140.4376,7.32
15627,2_deoxyguanosine,bmse000003,2,89.8652,7.61
15628,2_deoxyguanosine,bmse000003,3,86.6745,9.57
15629,2_deoxyguanosine,bmse000003,4,73.9059,12.5
15630,2_deoxyguanosine,bmse000003,5,64.3305,8.45
15631,2_deoxyguanosine,bmse000003,6,41.3976,8.86
15632,adenine,bmse000060,1,153.1875,0.8
15633,adenine,bmse000060,2,151.829,1.02
15634,adenine,bmse000060,3,147.5748,11.47
15635,adenine,bmse000060,4,146.3944,12.5
15636,adenine,bmse000060,5,118.324,0.66
15637,adenosine,bmse000061,1,155.2065,8.59
15638,adenosine,bmse000061,2,151.091,3.13
15639,adenosine,bmse000061,3,143.2708,6.58
15640,adenosine,bmse000061,4,91.0332,10.74
15641,adenosine,bmse000061,5,88.5401,11.36
15642,adenosine,bmse000061,6,76.3929,12.5
15643,adenosine,bmse000061,7,73.3525,11.01
15644,adenosine,bmse000061,8,64.2162,10.03
15645,adenosine,bmse000061,9,133.0864,1.07
15646,adonitol,bmse000062,1,74.8925,6.76
15647,adonitol,bmse000062,2,74.8008,11.44
15648,adonitol,bmse000062,3,65.0705,12.5
15649,ADP,bmse000004,1,158.1533,6.68
15650,ADP,bmse000004,2,155.4207,12.01
15651,ADP,bmse000004,3,151.6456,1.97
15652,ADP,bmse000004,4,151.5495,1.81
15653,ADP,bmse000004,5,142.8127,2.95
15654,ADP,bmse000004,6,142.5832,3.64
15655,ADP,bmse000004,7,121.1747,1.72
15656,ADP,bmse000004,8,89.778,10.17
15657,ADP,bmse000004,9,89.5551,6.01
15658,ADP,bmse000004,10,87.4621,3.15
15659,ADP,bmse000004,11,87.3746,3.43
15660,ADP,bmse000004,12,86.4858,4.81
15661,ADP,bmse000004,13,86.3979,5.28
15662,ADP,bmse000004,14,77.2288,6.53
15663,ADP,bmse000004,15,77.0622,12.5
15664,ADP,bmse000004,16,73.4056,6.43
15665,ADP,bmse000004,17,72.6057,12.04
15666,ADP,bmse000004,18,67.1794,3.82
15667,ADP,bmse000004,19,67.1297,3.91
15668,ADP,bmse000004,20,66.2518,2.61
15669,ADP,bmse000004,21,66.2091,2.71
15670,agmatine,bmse000063,1,159.5178,1.15
15671,agmatine,bmse000063,2,43.1542,9.26
15672,agmatine,bmse000063,3,41.7324,8.53
15673,agmatine,bmse000063,4,27.7024,11.07
15674,agmatine,bmse000063,5,26.715,12.5
15675,D_allose,bmse000008,1,96.1036,10.7
15676,D_allose,bmse000008,2,95.5286,1.55
15677,D_allose,bmse000008,3,76.2932,11.82
15678,D_allose,bmse000008,4,74.3841,1.58
15679,D_allose,bmse000008,5,73.9304,11.03
15680,D_allose,bmse000008,6,73.8513,12.02
15681,D_allose,bmse000008,7,69.7109,1.21
15682,D_allose,bmse000008,8,69.5516,1.22
15683,D_allose,bmse000008,9,69.4757,12.5
15684,D_allose,bmse000008,10,68.7507,2.03
15685,D_allose,bmse000008,11,63.8517,10.79
15686,D_allose,bmse000008,12,63.3663,1.24
15687,D_fructose,bmse000010,1,100.7878,2.8
15688,D_fructose,bmse000010,2,83.3844,4
15689,D_fructose,bmse000010,3,78.7409,1.35
15690,D_fructose,bmse000010,4,78.0833,3.23
15691,D_fructose,bmse000010,5,77.1431,3.97
15692,D_fructose,bmse000010,6,72.3808,12.5
15693,D_fructose,bmse000010,7,71.9017,10.92
15694,D_fructose,bmse000010,8,70.2559,10.72
15695,D_fructose,bmse000010,9,66.587,11.06
15696,D_fructose,bmse000010,10,66.0735,12.1
15697,D_fructose,bmse000010,11,65.3682,3.85
15698,D_fructose,bmse000010,12,65.074,4.07
15699,D_galactose,bmse000013,1,99.1714,10.5
15700,D_galactose,bmse000013,2,94.9986,5.59
15701,D_galactose,bmse000013,3,77.8681,12.5
15702,D_galactose,bmse000013,4,75.5121,11.36
15703,D_galactose,bmse000013,5,74.5893,11.5
15704,D_galactose,bmse000013,6,73.1956,6.08
15705,D_galactose,bmse000013,7,72.0185,5.93
15706,D_galactose,bmse000013,8,71.879,5.94
15707,D_galactose,bmse000013,9,71.4595,12.5
15708,D_galactose,bmse000013,10,71.0589,5.22
15709,D_galactose,bmse000013,11,63.8951,5.64
15710,D_galactose,bmse000013,12,63.6909,11.96
15711,D_glucose,bmse000015,1,98.6177,12.18
15712,D_glucose,bmse000015,2,94.8017,7.46
17491,NADP,bmse000263,2,158.1147,5.39
15713,D_glucose,bmse000015,3,78.6602,12.5
15714,D_glucose,bmse000015,4,78.46,12.38
15715,D_glucose,bmse000015,5,76.8429,11.94
15716,D_glucose,bmse000015,6,75.4621,6.95
15717,D_glucose,bmse000015,7,74.1868,7.96
15718,D_glucose,bmse000015,8,74.1521,7.85
15719,D_glucose,bmse000015,9,72.3476,7.59
15720,D_glucose,bmse000015,10,72.3041,12.25
15721,D_glucose,bmse000015,11,63.4496,11.55
15722,D_glucose,bmse000015,12,63.2877,6.43
15723,D_mannose,bmse000018,1,96.747,10.66
15724,D_mannose,bmse000018,2,96.3827,5.27
15725,D_mannose,bmse000018,3,78.8753,4.9
15726,D_mannose,bmse000018,4,75.7486,5.48
15727,D_mannose,bmse000018,5,75.1093,11.15
15728,D_mannose,bmse000018,6,73.9252,5.51
15729,D_mannose,bmse000018,7,73.3921,10.59
15730,D_mannose,bmse000018,8,72.9329,10.68
15731,D_mannose,bmse000018,9,69.5495,10.82
15732,D_mannose,bmse000018,10,69.3058,5.88
15733,D_mannose,bmse000018,11,63.666,12.5
15734,D_psicose,bmse000020,1,105.9793,2.62
15735,D_psicose,bmse000020,2,101.1482,2.31
15736,D_psicose,bmse000020,3,85.4184,12.5
15737,D_psicose,bmse000020,4,77.3405,2.67
15738,D_psicose,bmse000020,5,74.437,5.54
15739,D_psicose,bmse000020,6,73.7152,3.61
15740,D_psicose,bmse000020,7,73.0555,10.59
15741,D_psicose,bmse000020,8,73.0326,11.16
15742,D_psicose,bmse000020,9,72.9119,5.49
15743,D_psicose,bmse000020,10,71.7174,6.08
15744,D_psicose,bmse000020,11,68.562,7.08
15745,D_psicose,bmse000020,12,68.1859,7.9
15746,D_psicose,bmse000020,13,67.7838,6.98
15747,D_psicose,bmse000020,14,66.8844,6.45
15748,D_psicose,bmse000020,15,66.6778,4.36
15749,D_psicose,bmse000020,16,65.9583,9.93
15750,D_psicose,bmse000020,17,65.7568,6.2
15751,D_psicose,bmse000020,18,65.5148,3.26
15752,D_psicose,bmse000020,19,65.0727,3.8
15753,D_psicose,bmse000020,20,64.029,7.13
15754,D_psicose,bmse000020,21,60.6736,5.34
15755,D_sorbose,bmse000022,1,100.4423,2.8
15756,D_sorbose,bmse000022,2,76.5308,8.63
15757,D_sorbose,bmse000022,3,73.0506,8.72
15758,D_sorbose,bmse000022,4,72.1197,12.5
15759,D_sorbose,bmse000022,5,66.1492,9.88
15760,D_sorbose,bmse000022,6,64.4696,11
15761,D_tagatose,bmse000023,1,100.9098,3.49
15762,D_tagatose,bmse000023,2,73.6229,12.5
15763,D_tagatose,bmse000023,3,72.484,10.38
15764,D_tagatose,bmse000023,4,71.9743,2.2
15765,D_tagatose,bmse000023,5,69.0595,10.53
15766,D_tagatose,bmse000023,6,66.5918,10.06
15767,D_tagatose,bmse000023,7,66.403,1.92
15768,D_tagatose,bmse000023,8,66.1917,1.73
15769,D_tagatose,bmse000023,9,64.9495,7.98
15770,D_tagatose,bmse000023,10,62.8345,1.69
15771,D_xylose,bmse000026,1,99.3304,11.78
15772,D_xylose,bmse000026,2,94.9405,6.48
15773,D_xylose,bmse000026,3,78.526,10.11
15774,D_xylose,bmse000026,4,76.7418,12.5
15775,D_xylose,bmse000026,5,75.5229,5.77
15776,D_xylose,bmse000026,6,74.1661,6.42
15777,D_xylose,bmse000026,7,72.1118,6.54
15778,D_xylose,bmse000026,8,71.9378,12.28
15779,D_xylose,bmse000026,9,67.899,10.25
15780,D_xylose,bmse000026,10,63.6456,5.21
15781,alpha_ketoglutaric_acid,bmse000064,1,184.1528,2.07
15782,alpha_ketoglutaric_acid,bmse000064,2,38.5723,12.5
15783,alpha_ketoglutaric_acid,bmse000064,3,33.3219,9.83
15784,alpha_lactose,bmse000065,1,105.6382,8.25
15785,alpha_lactose,bmse000065,2,98.4725,7.33
15786,alpha_lactose,bmse000065,3,94.539,4.05
15787,alpha_lactose,bmse000065,4,81.1636,3.89
15788,alpha_lactose,bmse000065,5,81.0377,6.84
15789,alpha_lactose,bmse000065,6,78.0734,12.5
15790,alpha_lactose,bmse000065,7,77.522,7.34
15791,alpha_lactose,bmse000065,8,77.0808,7.32
15792,alpha_lactose,bmse000065,9,76.5296,7.28
15793,alpha_lactose,bmse000065,10,75.2407,11.24
15794,alpha_lactose,bmse000065,11,74.1286,4.28
15795,alpha_lactose,bmse000065,12,73.8715,4.75
15796,alpha_lactose,bmse000065,13,73.6835,9.31
15797,alpha_lactose,bmse000065,14,72.8271,3.84
15798,alpha_lactose,bmse000065,15,71.272,8.2
15799,alpha_lactose,bmse000065,16,63.7524,7.27
15800,alpha_lactose,bmse000065,17,62.8108,4.95
15801,alpha_lactose,bmse000065,18,62.6765,3.11
15802,4_aminobenzoic_acid,bmse000066,1,133.5667,12.5
15803,4_aminobenzoic_acid,bmse000066,2,128.9442,1.1
15804,4_aminobenzoic_acid,bmse000066,3,117.8119,11.36
15805,AMP,bmse000005,1,158.1415,3.52
15806,AMP,bmse000005,2,155.4083,9.41
15807,AMP,bmse000005,3,151.6344,4.45
15808,AMP,bmse000005,4,142.8031,7.78
15809,AMP,bmse000005,5,121.1486,2.72
15810,AMP,bmse000005,6,89.5563,11.53
15811,AMP,bmse000005,7,87.4594,6.04
15812,AMP,bmse000005,8,87.3722,6.06
15813,AMP,bmse000005,9,77.2299,12.5
15814,AMP,bmse000005,10,73.4036,12.24
15815,AMP,bmse000005,11,66.25,4.83
15816,AMP,bmse000005,12,66.2055,5.13
15817,anthranilic_acid,bmse000067,1,150.2702,2.1
15818,anthranilic_acid,bmse000067,2,134.7227,10.28
15819,anthranilic_acid,bmse000067,3,133.6538,12.5
15820,anthranilic_acid,bmse000067,4,123.4956,1.99
15821,anthranilic_acid,bmse000067,5,120.6937,11.1
15822,anthranilic_acid,bmse000067,6,120.3926,11.42
15823,L_arabitol,bmse000068,1,73.609,12.5
15824,L_arabitol,bmse000068,2,73.1399,11.93
15825,L_arabitol,bmse000068,3,72.9514,12.49
15826,L_arabitol,bmse000068,4,65.7296,10.81
15827,L_arabitol,bmse000068,5,65.6383,9.86
15828,ATP,bmse000006,1,158.2621,4.05
15829,ATP,bmse000006,2,155.4997,9.32
15830,ATP,bmse000006,3,151.7848,3.62
15831,ATP,bmse000006,4,142.6155,7.12
15832,ATP,bmse000006,5,121.2616,2.51
15833,ATP,bmse000006,6,89.3634,10.94
15834,ATP,bmse000006,7,86.7432,5.75
15835,ATP,bmse000006,8,86.6543,5.65
15836,ATP,bmse000006,9,76.9481,12.5
15837,ATP,bmse000006,10,72.9427,11.75
15838,ATP,bmse000006,11,67.8017,4.32
15839,ATP,bmse000006,12,67.7473,4.42
15840,betaine,bmse000069,1,171.9654,1.21
15841,betaine,bmse000069,2,68.893,3.07
15842,betaine,bmse000069,3,68.8587,3.29
15843,betaine,bmse000069,4,68.8297,3.27
15844,betaine,bmse000069,5,56.0898,10.14
15845,betaine,bmse000069,6,56.0509,12.5
15846,betaine,bmse000069,7,56.0118,10.21
15847,betaine_aldehyde,bmse000070,1,87.5694,9.74
15848,betaine_aldehyde,bmse000070,2,56.9587,10.45
15849,betaine_aldehyde,bmse000070,3,56.9195,12.5
15850,betaine_aldehyde,bmse000070,4,56.8886,11.17
15851,cadaverine,bmse000072,1,41.871,11.66
15852,cadaverine,bmse000072,2,28.9617,12.5
15853,cadaverine,bmse000072,3,25.3762,5.64
15854,cAMP,bmse000071,1,158.0318,4.3
15855,cAMP,bmse000071,2,155.524,10.63
15856,cAMP,bmse000071,3,150.7719,4.62
15857,cAMP,bmse000071,4,142.3466,9.68
15858,cAMP,bmse000071,5,121.2041,3.29
15859,cAMP,bmse000071,6,94.2109,12.5
15860,cAMP,bmse000071,7,80.0206,6.2
15861,cAMP,bmse000071,8,79.9754,6.98
15862,cAMP,bmse000071,9,75.0214,7.05
15863,cAMP,bmse000071,10,74.9418,7.25
15864,cAMP,bmse000071,11,74.463,6.46
15865,cAMP,bmse000071,12,70.0836,5.58
15866,cAMP,bmse000071,13,70.0142,5.05
15867,L_canavanine,bmse000073,1,177.0117,3.9
15868,L_canavanine,bmse000073,2,161.2671,2
15869,L_canavanine,bmse000073,3,74.5403,11.99
15870,L_canavanine,bmse000073,4,55.2855,12.02
15871,L_canavanine,bmse000073,5,31.809,12.5
15872,D_carnitine,bmse000074,1,180.7779,2.25
15873,D_carnitine,bmse000074,2,72.8193,4.47
15874,D_carnitine,bmse000074,3,72.7942,3.83
15875,D_carnitine,bmse000074,4,66.791,9.37
15876,D_carnitine,bmse000074,5,56.8328,10.48
15877,D_carnitine,bmse000074,6,56.7941,12.5
15878,D_carnitine,bmse000074,7,56.7554,10.44
15879,D_carnitine,bmse000074,8,45.6802,6.79
15880,chorismic_acid,bmse000075,1,155.9825,4.51
15881,chorismic_acid,bmse000075,2,137.1007,3.63
15882,chorismic_acid,bmse000075,3,132.6303,11.7
15883,chorismic_acid,bmse000075,4,131.7674,9.54
15884,chorismic_acid,bmse000075,5,126.7891,9.9
15885,chorismic_acid,bmse000075,6,95.5643,8.84
15886,chorismic_acid,bmse000075,7,82.3153,12.5
15887,chorismic_acid,bmse000075,8,72.8256,12.45
15888,citrate,bmse000076,1,184.7215,1.13
15889,citrate,bmse000076,2,182.0353,2.11
15890,citrate,bmse000076,3,77.9249,1.44
15891,citrate,bmse000076,4,48.4023,12.5
15892,coumarin,bmse000077,1,163.4646,0.72
15893,coumarin,bmse000077,2,156.7265,1.12
15894,coumarin,bmse000077,3,146.1206,6.54
15895,coumarin,bmse000077,4,134.5133,12.5
15896,coumarin,bmse000077,5,130.5441,8.87
15897,coumarin,bmse000077,6,127.1083,11.93
15898,coumarin,bmse000077,7,121.5098,1.08
15899,coumarin,bmse000077,8,119.5804,6.82
15900,coumarin,bmse000077,9,119.3784,7.14
15901,creatine,bmse000078,1,177.3494,1.87
15902,creatine,bmse000078,2,56.549,12.5
15903,creatine,bmse000078,3,39.6249,7.16
15904,creatine_phosphate,bmse000079,1,177.5977,1.69
15905,creatine_phosphate,bmse000079,2,56.5658,12.5
15906,creatine_phosphate,bmse000079,3,39.5149,7.02
15907,dehydro_proline,bmse000080,1,174.9837,1.15
15908,dehydro_proline,bmse000080,2,128.3998,11.9
15909,dehydro_proline,bmse000080,3,128.1163,10.28
15910,dehydro_proline,bmse000080,4,71.129,8.12
15911,dehydro_proline,bmse000080,5,55.1054,12.5
15912,D_3_phosphoglyceric_acid,bmse000007,1,181.5589,4.18
15913,D_3_phosphoglyceric_acid,bmse000007,2,75.6758,11.64
15914,D_3_phosphoglyceric_acid,bmse000007,3,75.5997,9.71
15915,D_3_phosphoglyceric_acid,bmse000007,4,69.5144,10.45
15916,D_3_phosphoglyceric_acid,bmse000007,5,69.4639,12.5
15917,D_fructose_1_6_bisphosphate,bmse000011,1,107.7441,1.24
15918,D_fructose_1_6_bisphosphate,bmse000011,2,107.6859,1.45
15919,D_fructose_1_6_bisphosphate,bmse000011,3,103.7998,2.79
15920,D_fructose_1_6_bisphosphate,bmse000011,4,103.7169,2.58
15921,D_fructose_1_6_bisphosphate,bmse000011,5,84.7524,1.84
15922,D_fructose_1_6_bisphosphate,bmse000011,6,84.6734,1.8
15923,D_fructose_1_6_bisphosphate,bmse000011,7,84.1618,3.88
15924,D_fructose_1_6_bisphosphate,bmse000011,8,82.4331,4.33
15925,D_fructose_1_6_bisphosphate,bmse000011,9,82.3517,4.54
15926,D_fructose_1_6_bisphosphate,bmse000011,10,79.436,3.58
15927,D_fructose_1_6_bisphosphate,bmse000011,11,78.4857,12.5
15928,D_fructose_1_6_bisphosphate,bmse000011,12,76.8309,8.44
15929,D_fructose_1_6_bisphosphate,bmse000011,13,68.3534,4.96
15930,D_fructose_1_6_bisphosphate,bmse000011,14,67.3714,1.78
15931,D_fructose_1_6_bisphosphate,bmse000011,15,67.0519,6.07
15932,D_fructose_1_6_bisphosphate,bmse000011,16,67.0078,5.96
15933,D_fructose_1_6_bisphosphate,bmse000011,17,66.9036,2.2
15934,D_fructose_1_6_bisphosphate,bmse000011,18,66.8591,2.2
15935,D_fructose_6_phosphate,bmse000012,1,107.1352,1.18
15936,D_fructose_6_phosphate,bmse000012,2,104.1799,5.96
15937,D_fructose_6_phosphate,bmse000012,3,84.4579,2.69
15938,D_fructose_6_phosphate,bmse000012,4,83.1582,1.38
15939,D_fructose_6_phosphate,bmse000012,5,83.081,1.12
15940,D_fructose_6_phosphate,bmse000012,6,82.6592,6.1
15941,D_fructose_6_phosphate,bmse000012,7,82.5783,5.8
15942,D_fructose_6_phosphate,bmse000012,8,78.536,2.85
15943,D_fructose_6_phosphate,bmse000012,9,77.8697,12.5
15944,D_fructose_6_phosphate,bmse000012,10,77.0604,11.73
15945,D_fructose_6_phosphate,bmse000012,11,67.0498,5.65
15946,D_fructose_6_phosphate,bmse000012,12,67.0041,5.36
15947,D_fructose_6_phosphate,bmse000012,13,66.1661,1.42
15948,D_fructose_6_phosphate,bmse000012,14,65.5593,2.38
15949,D_fructose_6_phosphate,bmse000012,15,65.331,9.82
15950,D_glucosamine,bmse000014,1,96.4205,8.72
15951,D_glucosamine,bmse000014,2,92.2506,9.77
15952,D_glucosamine,bmse000014,3,78.8513,9.64
15953,D_glucosamine,bmse000014,4,75.5831,6.35
15954,D_glucosamine,bmse000014,5,74.3295,12.27
15955,D_glucosamine,bmse000014,6,72.756,10.13
15956,D_glucosamine,bmse000014,7,72.4003,6.63
15957,D_glucosamine,bmse000014,8,72.3164,12.5
15958,D_glucosamine,bmse000014,9,63.2588,6.09
15959,D_glucosamine,bmse000014,10,63.0618,8.38
15960,D_glucosamine,bmse000014,11,59.6201,8.02
15961,D_glucosamine,bmse000014,12,57.0959,11.82
15962,D_glucose_6_phosphate,bmse000016,1,98.7788,8.55
15963,D_glucose_6_phosphate,bmse000016,2,94.9276,4.89
15964,D_glucose_6_phosphate,bmse000016,3,78.1764,4.82
15965,D_glucose_6_phosphate,bmse000016,4,78.106,3.56
15966,D_glucose_6_phosphate,bmse000016,5,77.9455,6.69
15967,D_glucose_6_phosphate,bmse000016,6,76.9831,9.41
15968,D_glucose_6_phosphate,bmse000016,7,75.0341,3.92
15969,D_glucose_6_phosphate,bmse000016,8,74.314,4.27
15970,D_glucose_6_phosphate,bmse000016,9,73.8171,2.12
15971,D_glucose_6_phosphate,bmse000016,10,73.7484,2.83
15972,D_glucose_6_phosphate,bmse000016,11,71.7635,12.5
15973,D_glucose_6_phosphate,bmse000016,12,65.5737,3.84
15974,D_glucose_6_phosphate,bmse000016,13,65.5308,3.24
15975,D_glucose_6_phosphate,bmse000016,14,65.4799,2.31
15976,D_maltose,bmse000017,1,102.3099,6.16
15977,D_maltose,bmse000017,2,102.2275,9.38
15978,D_maltose,bmse000017,3,98.4704,10.34
15979,D_maltose,bmse000017,4,94.5912,6.33
15980,D_maltose,bmse000017,5,79.5285,5.17
15981,D_maltose,bmse000017,6,79.3217,8.47
15982,D_maltose,bmse000017,7,78.9276,9.15
15983,D_maltose,bmse000017,8,77.2648,10.83
15984,D_maltose,bmse000017,9,76.7045,8.61
15985,D_maltose,bmse000017,10,75.9471,5.48
15986,D_maltose,bmse000017,11,75.5584,7.84
15987,D_maltose,bmse000017,12,75.5345,10.55
15988,D_maltose,bmse000017,13,75.3859,9.92
15989,D_maltose,bmse000017,14,74.4492,5.89
15990,D_maltose,bmse000017,15,74.3558,8.17
15991,D_maltose,bmse000017,16,73.9924,5.77
15992,D_maltose,bmse000017,17,72.6486,6.16
15993,D_maltose,bmse000017,18,72.0198,8.44
15994,D_maltose,bmse000017,19,63.4361,6.09
15995,D_maltose,bmse000017,20,63.2871,4.41
15996,D_maltose,bmse000017,21,63.1596,12.5
15997,D_ornithine,bmse000019,1,56.8208,12.5
15998,D_ornithine,bmse000019,2,41.5722,10.12
15999,D_ornithine,bmse000019,3,30.1825,12.11
16000,D_ornithine,bmse000019,4,25.4604,8.77
16001,D_threo_isocitric_acid,bmse000025,1,183.683,6.79
16002,D_threo_isocitric_acid,bmse000025,2,182.958,3.11
16003,D_threo_isocitric_acid,bmse000025,3,76.3916,11.16
16004,D_threo_isocitric_acid,bmse000025,4,51.8047,12.5
16005,D_threo_isocitric_acid,bmse000025,5,40.3285,10.98
16006,D_xylulose,bmse000027,1,108.4502,1.01
16007,D_xylulose,bmse000027,2,105.6511,3.08
16008,D_xylulose,bmse000027,3,83.18,3.1
16009,D_xylulose,bmse000027,4,78.9065,11.61
16010,D_xylulose,bmse000027,5,78.5426,3.96
16011,D_xylulose,bmse000027,6,78.011,2.93
16012,D_xylulose,bmse000027,7,77.5565,9.89
16013,D_xylulose,bmse000027,8,74.6749,2.45
16014,D_xylulose,bmse000027,9,74.6163,2.47
16015,D_xylulose,bmse000027,10,72.5201,10.76
16016,D_xylulose,bmse000027,11,68.7345,3.03
16017,D_xylulose,bmse000027,12,65.6799,12.5
16018,D_xylulose,bmse000027,13,65.1062,3.07
16019,D_xylulose,bmse000027,14,64.5556,3.06
16020,fumaric_acid,bmse000083,1,177.424,1.91
16021,fumaric_acid,bmse000083,2,138.042,12.5
16022,gluconic_acid,bmse000084,1,181.3386,1.89
16023,gluconic_acid,bmse000084,2,76.7743,10.33
16024,gluconic_acid,bmse000084,3,75.2613,9.8
16025,gluconic_acid,bmse000084,4,73.8705,12.36
16026,gluconic_acid,bmse000084,5,73.6525,10.2
16027,gluconic_acid,bmse000084,6,65.308,12.5
16028,alpha_D_glucose_1_phosphate,bmse000086,1,96.3867,5.99
16029,alpha_D_glucose_1_phosphate,bmse000086,2,96.3335,6.2
16030,alpha_D_glucose_1_phosphate,bmse000086,3,75.8391,10.34
16031,alpha_D_glucose_1_phosphate,bmse000086,4,74.9392,5.94
16032,alpha_D_glucose_1_phosphate,bmse000086,5,74.871,6.51
16033,alpha_D_glucose_1_phosphate,bmse000086,6,74.7037,12.5
16034,alpha_D_glucose_1_phosphate,bmse000086,7,72.4482,11.49
16035,alpha_D_glucose_1_phosphate,bmse000086,8,63.3999,9.58
16036,alpha_D_glucose_1_6_bisphosphate,bmse000087,1,96.6014,6.13
16037,alpha_D_glucose_1_6_bisphosphate,bmse000087,2,96.5465,7.96
16038,alpha_D_glucose_1_6_bisphosphate,bmse000087,3,75.3449,11.03
16039,alpha_D_glucose_1_6_bisphosphate,bmse000087,4,75.0612,6.57
16040,alpha_D_glucose_1_6_bisphosphate,bmse000087,5,74.9873,7.68
16041,alpha_D_glucose_1_6_bisphosphate,bmse000087,6,74.3802,6.65
16042,alpha_D_glucose_1_6_bisphosphate,bmse000087,7,74.317,7.4
16043,alpha_D_glucose_1_6_bisphosphate,bmse000087,8,71.5781,12.5
16044,alpha_D_glucose_1_6_bisphosphate,bmse000087,9,65.3993,4.84
16045,alpha_D_glucose_1_6_bisphosphate,bmse000087,10,65.3536,5.06
16046,glycine,bmse000089,1,175.1557,1.97
16047,glycine,bmse000089,2,44.1252,12.5
16048,guanine,bmse000090,1,170.3632,9.04
16049,guanine,bmse000090,2,163.6535,12.5
16050,guanine,bmse000090,3,161.8796,11.9
16051,guanine,bmse000090,4,120.9619,9.12
16052,guanosine,bmse000091,1,170.5025,1.71
16053,guanosine,bmse000091,2,163.3657,1.47
16054,guanosine,bmse000091,3,153.5645,2.67
16055,guanosine,bmse000091,4,139.3656,9.14
16056,guanosine,bmse000091,5,121.0084,1.46
16057,guanosine,bmse000091,6,90.841,11.95
16058,guanosine,bmse000091,7,88.5938,12.21
16059,guanosine,bmse000091,8,75.8197,12.21
16060,guanosine,bmse000091,9,73.7609,12.5
16061,guanosine,bmse000091,10,64.5009,9.96
16062,4_hydroxybenzoic_acid,bmse000092,1,161.2131,1.26
16063,4_hydroxybenzoic_acid,bmse000092,2,133.942,12.5
16064,4_hydroxybenzoic_acid,bmse000092,3,130.8287,1.62
16065,4_hydroxybenzoic_acid,bmse000092,4,117.592,10.22
16066,trans_3_hydroxycinnamic_acid,bmse000093,1,178.4192,2.27
16067,trans_3_hydroxycinnamic_acid,bmse000093,2,158.5422,3.6
16068,trans_3_hydroxycinnamic_acid,bmse000093,3,143.1901,8.95
16069,trans_3_hydroxycinnamic_acid,bmse000093,4,139.6042,3.48
16070,trans_3_hydroxycinnamic_acid,bmse000093,5,133.0298,11.46
16071,trans_3_hydroxycinnamic_acid,bmse000093,6,127.174,8.41
16072,trans_3_hydroxycinnamic_acid,bmse000093,7,122.9365,12.5
16073,trans_3_hydroxycinnamic_acid,bmse000093,8,119.3249,10.36
16074,trans_3_hydroxycinnamic_acid,bmse000093,9,116.6163,10.36
16075,hypoxanthine,bmse000094,1,164.9523,1.17
16076,hypoxanthine,bmse000094,2,159.7264,2.08
16077,hypoxanthine,bmse000094,3,150.37,10.69
16078,hypoxanthine,bmse000094,4,149.1756,12.5
16079,hypoxanthine,bmse000094,5,123.2364,1.06
16080,imidazole,bmse000096,1,137.7708,3.03
16081,imidazole,bmse000096,2,123.4233,12.5
16082,indole,bmse000097,1,138.3981,1.25
16083,indole,bmse000097,2,130.4755,1.24
16084,indole,bmse000097,3,126.7831,8.65
16085,indole,bmse000097,4,124.6229,12.5
16086,indole,bmse000097,5,123.3758,10.66
16087,indole,bmse000097,6,122.4493,10.48
16088,indole,bmse000097,7,113.6756,9.74
16089,indole,bmse000097,8,105.2378,11.58
16090,inosine,bmse000098,1,151.078,2.3
16091,inosine,bmse000098,2,148.9185,8.98
16092,inosine,bmse000098,3,142.8874,7.4
16093,inosine,bmse000098,4,126.8411,1.65
16094,inosine,bmse000098,5,91.1086,8.08
16095,inosine,bmse000098,6,88.2694,11.43
16096,inosine,bmse000098,7,76.7759,12.5
16097,inosine,bmse000098,8,73.0828,10.32
16098,inosine,bmse000098,9,64.0173,8.72
16099,i_erythritol,bmse000095,1,74.6148,12.5
16100,i_erythritol,bmse000095,2,65.3077,8.45
16101,L_alanine,bmse000028,1,178.5574,1.16
16102,L_alanine,bmse000028,2,53.2035,9.48
16103,L_alanine,bmse000028,3,18.8465,12.5
16104,L_arginine,bmse000029,1,177.2125,3.21
16105,L_arginine,bmse000029,2,57.0216,10.14
16106,L_arginine,bmse000029,3,43.2011,12.5
16107,L_arginine,bmse000029,4,30.2885,11.19
16108,L_arginine,bmse000029,5,26.5758,9.54
16109,L_asparagine,bmse000030,1,177.1771,1.47
16110,L_asparagine,bmse000030,2,176.209,1.94
16111,L_asparagine,bmse000030,3,53.9932,12.5
16112,L_asparagine,bmse000030,4,37.2983,11.26
16113,L_aspartic_acid,bmse000031,1,180.297,3.41
16114,L_aspartic_acid,bmse000031,2,176.9954,2.67
16115,L_aspartic_acid,bmse000031,3,54.9142,11.68
16116,L_aspartic_acid,bmse000031,4,39.2604,12.5
16117,L_citrulline,bmse000032,1,177.3878,3.15
16118,L_citrulline,bmse000032,2,164.2805,1.25
16119,L_citrulline,bmse000032,3,57.2048,11.84
16120,L_citrulline,bmse000032,4,41.9551,1.88
16121,L_citrulline,bmse000032,5,30.4444,12.5
16122,L_citrulline,bmse000032,6,27.6682,7.93
16123,L_cystathionine,bmse000033,1,56.4392,8
16124,L_cystathionine,bmse000033,2,56.2614,10.81
16125,L_cystathionine,bmse000033,3,34.8058,9.84
16126,L_cystathionine,bmse000033,4,32.8913,9.2
16127,L_cystathionine,bmse000033,5,29.7625,12.5
16128,L_cysteine,bmse000034,1,58.731,9.48
16129,L_cysteine,bmse000034,2,27.687,12.5
16130,L_cystine,bmse000035,1,183.331,3.03
16131,L_cystine,bmse000035,2,57.5783,12.5
16132,L_cystine,bmse000035,3,46.0281,10.99
16133,L_fucose,bmse000036,1,98.936,11.78
16134,L_fucose,bmse000036,2,94.9206,4.76
16135,L_fucose,bmse000036,3,75.6252,9.59
16136,L_fucose,bmse000036,4,74.6014,4.86
16137,L_fucose,bmse000036,5,74.3627,10.92
16138,L_fucose,bmse000036,6,74.1543,8.8
16139,L_fucose,bmse000036,7,73.586,9.85
16140,L_fucose,bmse000036,8,71.9701,4.6
16141,L_fucose,bmse000036,9,70.7832,3.67
16142,L_fucose,bmse000036,10,69.0314,4.4
16143,L_fucose,bmse000036,11,18.2232,12.5
16144,L_glutamic_acid,bmse000037,1,184.0438,2.16
16145,L_glutamic_acid,bmse000037,2,177.297,1.79
16146,L_glutamic_acid,bmse000037,3,57.3356,12.29
16147,L_glutamic_acid,bmse000037,4,36.1753,9.58
16148,L_glutamic_acid,bmse000037,5,29.6742,12.5
16149,L_glutamine,bmse000038,1,180.3694,1.86
16150,L_glutamine,bmse000038,2,176.8264,2.47
16151,L_glutamine,bmse000038,3,56.8326,9.96
16152,L_glutamine,bmse000038,4,33.528,10.99
16153,L_glutamine,bmse000038,5,28.9528,12.5
16154,L_histidine,bmse000039,1,176.6511,1.83
16155,L_histidine,bmse000039,2,138.9728,9.16
16156,L_histidine,bmse000039,3,134.6686,2.25
16157,L_histidine,bmse000039,4,119.5492,8.47
16158,L_histidine,bmse000039,5,57.4737,12.5
16159,L_histidine,bmse000039,6,30.7804,11.71
16160,L_homoserine,bmse000040,1,177.2374,1.7
16161,L_homoserine,bmse000040,2,61.3363,12.5
16162,L_homoserine,bmse000040,3,56.0719,8.39
16163,L_homoserine,bmse000040,4,34.8823,11.17
16164,L_isoleucine,bmse000041,1,176.9223,1.89
16165,L_isoleucine,bmse000041,2,62.2493,12.5
16166,L_isoleucine,bmse000041,3,38.5957,9.56
16167,L_isoleucine,bmse000041,4,27.1531,12.15
16168,L_isoleucine,bmse000041,5,17.3893,8.4
16169,L_isoleucine,bmse000041,6,13.8035,7.76
16170,L_leucine,bmse000042,1,178.3284,2.9
16171,L_leucine,bmse000042,2,56.1175,11.06
16172,L_leucine,bmse000042,3,42.5151,11.41
16173,L_leucine,bmse000042,4,26.8579,12.5
16174,L_leucine,bmse000042,5,24.7283,9.43
16175,L_leucine,bmse000042,6,23.5808,12.45
16176,L_lysine,bmse000043,1,177.4077,2.58
16177,L_lysine,bmse000043,2,57.1969,9.77
16178,L_lysine,bmse000043,3,41.7595,10.04
16179,L_lysine,bmse000043,4,32.6068,10.59
16180,L_lysine,bmse000043,5,29.1125,12.5
16181,L_lysine,bmse000043,6,24.1325,10.95
16182,malic_acid,bmse000046,1,183.7669,2.25
16183,malic_acid,bmse000046,2,182.5706,2
16184,malic_acid,bmse000046,3,73.0495,9.52
16185,malic_acid,bmse000046,4,45.3174,12.5
16186,L_methionine,bmse000044,1,177.0256,1.63
16187,L_methionine,bmse000044,2,56.5949,11.7
16188,L_methionine,bmse000044,3,32.3948,11.02
16189,L_methionine,bmse000044,4,31.5117,12.5
16190,L_methionine,bmse000044,5,16.6207,5.66
16191,L_phenylalanine,bmse000045,1,137.8245,2.32
16192,L_phenylalanine,bmse000045,2,132.08,12.5
16193,L_phenylalanine,bmse000045,3,131.8234,9.6
16194,L_phenylalanine,bmse000045,4,130.4017,5.37
16195,L_phenylalanine,bmse000045,5,58.7477,5.25
16196,L_phenylalanine,bmse000045,6,39.0993,5.55
16197,L_proline,bmse000047,1,177.4144,1.3
16198,L_proline,bmse000047,2,63.9229,11.05
16199,L_proline,bmse000047,3,48.7631,9.32
16200,L_proline,bmse000047,4,31.6863,12.5
16201,L_proline,bmse000047,5,26.4548,9.6
16202,L_serine,bmse000048,1,62.8928,12.5
16203,L_serine,bmse000048,2,59.0815,8.62
16204,L_threonine,bmse000049,1,175.6411,1.16
16205,L_threonine,bmse000049,2,68.6408,12.03
16206,L_threonine,bmse000049,3,63.1368,12.5
16207,L_threonine,bmse000049,4,22.1352,12.2
16208,L_tryptophan,bmse000050,1,177.255,2.71
16209,L_tryptophan,bmse000050,2,139.0401,1.59
16210,L_tryptophan,bmse000050,3,129.3512,1.89
16211,L_tryptophan,bmse000050,4,127.7463,10.84
16212,L_tryptophan,bmse000050,5,124.8346,12.27
16213,L_tryptophan,bmse000050,6,122.1638,12.5
16214,L_tryptophan,bmse000050,7,121.1566,12.38
16215,L_tryptophan,bmse000050,8,114.6587,10.23
16216,L_tryptophan,bmse000050,9,110.1782,4.04
16217,L_tryptophan,bmse000050,10,57.7537,11.28
16218,L_tryptophan,bmse000050,11,29.1016,11.57
16219,L_tyrosine,bmse000051,1,184.1279,1.35
16220,L_tyrosine,bmse000051,2,163.7886,1.13
16221,L_tyrosine,bmse000051,3,133.3998,10.61
16222,L_tyrosine,bmse000051,4,128.0459,2.21
16223,L_tyrosine,bmse000051,5,120.2955,12.5
16224,L_tyrosine,bmse000051,6,60.0412,5.12
16225,L_tyrosine,bmse000051,7,41.8233,4.45
16226,L_valine,bmse000052,1,63.0706,10.1
16227,L_valine,bmse000052,2,31.7958,11.73
16228,L_valine,bmse000052,3,20.6547,12.29
16229,L_valine,bmse000052,4,19.3267,12.5
16230,D_mannitol,bmse000099,1,73.4901,12.5
16231,D_mannitol,bmse000099,2,71.9258,8.62
16232,D_mannitol,bmse000099,3,65.9197,11.81
16233,meso_erythritol,bmse000100,1,74.6159,12.5
16234,meso_erythritol,bmse000100,2,65.309,8.37
16235,methyl_oxobutanoic_acid,bmse000101,1,39.7045,5.48
16236,methyl_oxobutanoic_acid,bmse000101,2,19.0607,12.5
16237,muco_inositol,bmse000102,1,75.0137,6.8
16238,muco_inositol,bmse000102,2,72.8728,12.5
16239,myo_inositol,bmse000103,1,77.0519,5.9
16240,myo_inositol,bmse000103,2,75.1054,12.5
16241,myo_inositol,bmse000103,3,74.8867,4.4
16242,myo_inositol,bmse000103,4,73.8316,10.8
16243,NAD,bmse000053,1,167.8653,3.69
16244,NAD,bmse000053,2,158.0181,4.21
16245,NAD,bmse000053,3,155.468,8.5
16246,NAD,bmse000053,4,151.5966,5.8
16247,NAD,bmse000053,5,148.4441,6.77
16248,NAD,bmse000053,6,145.0618,5.64
16249,NAD,bmse000053,7,142.6338,5.11
16250,NAD,bmse000053,8,142.3914,7.13
16251,NAD,bmse000053,9,136.3277,6.28
16252,NAD,bmse000053,10,131.3233,7.72
16253,NAD,bmse000053,11,121.0165,3.15
16254,NAD,bmse000053,12,102.7367,9.04
16255,NAD,bmse000053,13,89.7361,5.45
16256,NAD,bmse000053,14,89.6488,5.15
16257,NAD,bmse000053,15,89.3547,10.54
16258,NAD,bmse000053,16,86.5859,5.25
16259,NAD,bmse000053,17,86.4979,5.24
16260,NAD,bmse000053,18,80.3065,12.5
16261,NAD,bmse000053,19,76.6526,12.24
16262,NAD,bmse000053,20,73.2929,11.75
16263,NAD,bmse000053,21,73.0829,11.48
16264,NAD,bmse000053,22,68.1579,4.36
16265,NAD,bmse000053,23,68.1059,4.27
16266,NAD,bmse000053,24,67.6491,4.7
16267,NAD,bmse000053,25,67.5973,4.24
16268,NADH,bmse000054,1,175.3474,5.48
16269,NADH,bmse000054,2,158.1968,4.24
16270,NADH,bmse000054,3,155.4171,8.83
16271,NADH,bmse000054,4,151.5844,5.71
16272,NADH,bmse000054,5,142.3515,6.8
16273,NADH,bmse000054,6,141.1257,9.71
16274,NADH,bmse000054,7,126.4094,7.79
16275,NADH,bmse000054,8,121.2963,4.16
16276,NADH,bmse000054,9,108.0387,9.52
16277,NADH,bmse000054,10,102.5371,7.01
16278,NADH,bmse000054,11,97.7448,9.22
16279,NADH,bmse000054,12,89.7936,11.06
16280,NADH,bmse000054,13,86.3582,5.51
16281,NADH,bmse000054,14,85.0981,5.6
16282,NADH,bmse000054,15,77.2518,12.23
16283,NADH,bmse000054,16,73.4643,12.14
16284,NADH,bmse000054,17,73.2824,12.5
16285,NADH,bmse000054,18,72.9239,9.04
16286,NADH,bmse000054,19,68.6321,4.65
16287,NADH,bmse000054,20,67.8556,4.52
16288,NADH,bmse000054,21,24.5551,8.23
16289,NADH,bmse000054,22,19.5029,3.45
16290,NADPH,bmse000055,1,175.4549,3.91
16291,NADPH,bmse000055,2,158.2562,4.4
16292,NADPH,bmse000055,3,155.3726,8.4
16293,NADPH,bmse000055,4,151.6612,4.78
16294,NADPH,bmse000055,5,142.7666,6.52
16295,NADPH,bmse000055,6,141.0746,8.37
16296,NADPH,bmse000055,7,126.4637,8.6
16297,NADPH,bmse000055,8,108.0154,8.41
16298,NADPH,bmse000055,9,102.5834,6.37
16299,NADPH,bmse000055,10,97.6847,9.4
16300,NADPH,bmse000055,11,89.5671,4.71
16301,NADPH,bmse000055,12,89.4832,4.7
16302,NADPH,bmse000055,13,85.6232,4.52
16303,NADPH,bmse000055,14,85.136,4.45
16304,NADPH,bmse000055,15,79.2632,4.94
16305,NADPH,bmse000055,16,73.4756,12.5
16306,NADPH,bmse000055,17,73.324,11.5
16307,NADPH,bmse000055,18,72.7309,8.21
16308,NADPH,bmse000055,19,68.5416,4.39
16309,NADPH,bmse000055,20,67.9571,5.25
16310,NADPH,bmse000055,21,24.6213,6.74
16311,niacin,bmse000104,1,176.0593,0.88
16312,niacin,bmse000104,2,153.1473,12.5
16313,niacin,bmse000104,3,151.7346,9.43
16314,niacin,bmse000104,4,140.3918,11.16
16315,niacin,bmse000104,5,135.0395,2.37
16316,niacin,bmse000104,6,126.6461,10.94
16317,nicotine,bmse000105,1,152.9553,11.86
16318,nicotine,bmse000105,2,151.8079,8.39
16319,nicotine,bmse000105,3,139.9786,11.24
16320,nicotine,bmse000105,4,132.2848,2.82
16321,nicotine,bmse000105,5,127.6138,11.08
16322,nicotine,bmse000105,6,72.3903,8.23
16323,nicotine,bmse000105,7,58.7754,9.8
16324,nicotine,bmse000105,8,40.9138,11.41
16325,nicotine,bmse000105,9,33.0757,8.96
16326,nicotine,bmse000105,10,24.2203,12.5
16327,N_acetylneuraminic_acid,bmse000057,1,179.4931,2.99
16328,N_acetylneuraminic_acid,bmse000057,2,177.4691,5.36
16329,N_acetylneuraminic_acid,bmse000057,3,99.1066,6.81
16330,N_acetylneuraminic_acid,bmse000057,4,73.0136,10.35
16331,N_acetylneuraminic_acid,bmse000057,5,72.9084,11.02
16332,N_acetylneuraminic_acid,bmse000057,6,71.2583,9.48
16333,N_acetylneuraminic_acid,bmse000057,7,70.0063,10.08
16334,N_acetylneuraminic_acid,bmse000057,8,66.0063,10.13
16335,N_acetylneuraminic_acid,bmse000057,9,54.9693,12.5
16336,N_acetylneuraminic_acid,bmse000057,10,42.0905,8.84
16337,N_acetylneuraminic_acid,bmse000057,11,24.8195,11.34
16338,N_acetyl_D_mannosamine,bmse000056,1,178.4248,1.93
16339,N_acetyl_D_mannosamine,bmse000056,2,177.4968,2.6
16340,N_acetyl_D_mannosamine,bmse000056,3,95.8209,8.31
16341,N_acetyl_D_mannosamine,bmse000056,4,95.688,9.13
16342,N_acetyl_D_mannosamine,bmse000056,5,79.0399,10.23
16343,N_acetyl_D_mannosamine,bmse000056,6,74.7525,9.08
16344,N_acetyl_D_mannosamine,bmse000056,7,74.6939,8.91
16345,N_acetyl_D_mannosamine,bmse000056,8,71.5593,11.26
16346,N_acetyl_D_mannosamine,bmse000056,9,69.4618,11.11
16347,N_acetyl_D_mannosamine,bmse000056,10,69.1894,8.23
16348,N_acetyl_D_mannosamine,bmse000056,11,63.0714,12.5
16349,N_acetyl_D_mannosamine,bmse000056,12,56.7834,6.76
16350,N_acetyl_D_mannosamine,bmse000056,13,55.9143,11.74
16351,N_acetyl_D_mannosamine,bmse000056,14,24.7467,6.42
16352,N_acetyl_D_mannosamine,bmse000056,15,24.6103,7.83
16353,oxalate,bmse000106,1,176.1386,12.5
16354,O_succinyl_L_homoserine,bmse000058,1,183.8863,2.56
16355,O_succinyl_L_homoserine,bmse000058,2,178.3647,2.14
16356,O_succinyl_L_homoserine,bmse000058,3,176.7702,2.64
16357,O_succinyl_L_homoserine,bmse000058,4,64.4599,9.53
16358,O_succinyl_L_homoserine,bmse000058,5,55.5165,8.79
16359,O_succinyl_L_homoserine,bmse000058,6,35.6935,1.47
16360,O_succinyl_L_homoserine,bmse000058,7,34.6435,11.39
16361,O_succinyl_L_homoserine,bmse000058,8,33.1998,12.5
16362,O_succinyl_L_homoserine,bmse000058,9,32.0477,7.9
16363,phosphoenolpyruvic_acid,bmse000107,1,152.4983,4.37
16364,phosphoenolpyruvic_acid,bmse000107,2,152.4267,2.42
16365,phosphoenolpyruvic_acid,bmse000107,3,102.8677,10.91
16366,phosphoenolpyruvic_acid,bmse000107,4,102.8401,12.5
16367,prephenic_acid,bmse000108,1,134.012,12.19
16368,prephenic_acid,bmse000108,2,130.3553,12.5
16369,prephenic_acid,bmse000108,3,64.0727,7.77
16370,prephenic_acid,bmse000108,4,51.2462,2.5
16371,prephenic_acid,bmse000108,5,50.6545,5.86
16372,putrescine,bmse000109,1,41.551,11.73
16373,putrescine,bmse000109,2,26.5984,12.5
16374,pyridoxal,bmse000110,1,161.5671,1.78
16375,pyridoxal,bmse000110,2,148.0785,2.3
16376,pyridoxal,bmse000110,3,140.9568,3.28
16377,pyridoxal,bmse000110,4,139.5279,4.52
16378,pyridoxal,bmse000110,5,120.0727,6.07
16379,pyridoxal,bmse000110,6,102.0212,10.48
16380,pyridoxal,bmse000110,7,72.5072,12.5
16381,pyridoxal,bmse000110,8,17.5108,7.09
16382,pyridoxal_5_phosphate,bmse000111,1,198.7901,4.06
16383,pyridoxal_5_phosphate,bmse000111,2,154.2739,7.56
16384,pyridoxal_5_phosphate,bmse000111,3,139.0553,2.73
16385,pyridoxal_5_phosphate,bmse000111,4,138.9802,2.7
16386,pyridoxal_5_phosphate,bmse000111,5,128.8539,3.48
16387,pyridoxal_5_phosphate,bmse000111,6,126.7748,3.24
16388,pyridoxal_5_phosphate,bmse000111,7,91.4524,2.95
16389,pyridoxal_5_phosphate,bmse000111,8,64.4322,9.86
16390,pyridoxal_5_phosphate,bmse000111,9,64.3954,7.79
16391,pyridoxal_5_phosphate,bmse000111,10,18.7125,12.5
16392,pyridoxal_5_phosphate,bmse000111,11,17.3618,2.26
16393,pyridoxamine,bmse000130,1,165.5851,1.63
16394,pyridoxamine,bmse000130,2,148.1236,2.38
16395,pyridoxamine,bmse000130,3,138.2661,5.06
16396,pyridoxamine,bmse000130,4,134.7636,2.63
16397,pyridoxamine,bmse000130,5,126.6506,8.52
16398,pyridoxamine,bmse000130,6,61.8257,9.73
16399,pyridoxamine,bmse000130,7,39.2287,12.5
16400,pyridoxamine,bmse000130,8,18.1093,10.27
16401,pyridoxamine_5_phosphate,bmse000131,1,165.6996,3.42
16402,pyridoxamine_5_phosphate,bmse000131,2,147.3396,4.49
16403,pyridoxamine_5_phosphate,bmse000131,3,137.5932,4.37
16404,pyridoxamine_5_phosphate,bmse000131,4,137.5201,3.66
16405,pyridoxamine_5_phosphate,bmse000131,5,135.8735,6.9
16406,pyridoxamine_5_phosphate,bmse000131,6,125.9833,8.38
16407,pyridoxamine_5_phosphate,bmse000131,7,64.3374,8.14
16408,pyridoxamine_5_phosphate,bmse000131,8,64.2962,7.45
16409,pyridoxamine_5_phosphate,bmse000131,9,38.955,12.5
16410,pyridoxamine_5_phosphate,bmse000131,10,17.7372,11.91
16411,scyllo_inositol,bmse000113,1,76.2821,12.5
16412,shikimic_acid,bmse000114,1,178.0757,1.84
16413,shikimic_acid,bmse000114,2,138.7121,3.69
16414,shikimic_acid,bmse000114,3,133.2065,8.63
16415,shikimic_acid,bmse000114,4,74.7462,8.91
16416,shikimic_acid,bmse000114,5,69.5201,11.73
16417,shikimic_acid,bmse000114,6,68.9871,12.5
16418,shikimic_acid,bmse000114,7,35.3685,8.86
16419,D_sorbitol,bmse000115,1,75.6364,11.8
16420,D_sorbitol,bmse000115,2,73.7844,11.91
16421,D_sorbitol,bmse000115,3,73.6628,11.46
16422,D_sorbitol,bmse000115,4,72.3478,12.5
16423,D_sorbitol,bmse000115,5,65.5074,7.86
16424,D_sorbitol,bmse000115,6,65.1126,9.65
16425,spermidine,bmse000116,1,49.7685,12.5
16426,spermidine,bmse000116,2,47.255,9.6
16427,spermidine,bmse000116,3,41.5152,10.94
16428,spermidine,bmse000116,4,39.2998,10.61
16429,spermidine,bmse000116,5,26.64,10.09
16430,spermidine,bmse000116,6,26.5227,9.51
16431,spermidine,bmse000116,7,25.4882,11.59
16432,spermine,bmse000117,1,50.4642,10.16
16433,spermine,bmse000117,2,48.3361,12.5
16434,spermine,bmse000117,3,40.6981,12.1
16435,spermine,bmse000117,4,30.823,7.1
16436,spermine,bmse000117,5,27.6835,10.97
16437,succinic_acid,bmse000118,1,185.1648,1.78
16438,succinic_acid,bmse000118,2,36.8897,12.5
16439,sucrose,bmse000119,1,106.3887,6.15
16440,sucrose,bmse000119,2,94.8829,11.39
16441,sucrose,bmse000119,3,84.0666,11.94
16442,sucrose,bmse000119,4,79.0967,11.54
16443,sucrose,bmse000119,5,76.6892,12.13
16444,sucrose,bmse000119,6,75.2562,11.56
16445,sucrose,bmse000119,7,75.107,12.4
16446,sucrose,bmse000119,8,73.7694,11.94
16447,sucrose,bmse000119,9,71.9114,12.5
16448,sucrose,bmse000119,10,65.0741,11.11
16449,sucrose,bmse000119,11,64.0305,10.38
16450,sucrose,bmse000119,12,62.8059,9.96
16451,S_adenosyl_L_methionine,bmse000059,1,177.2049,1.06
16452,S_adenosyl_L_methionine,bmse000059,2,175.5374,3.57
16453,S_adenosyl_L_methionine,bmse000059,3,158.2573,4.07
16454,S_adenosyl_L_methionine,bmse000059,4,158.1473,1.23
16455,S_adenosyl_L_methionine,bmse000059,5,155.5574,8.68
16456,S_adenosyl_L_methionine,bmse000059,6,155.4871,3.71
16457,S_adenosyl_L_methionine,bmse000059,7,154.9459,1.28
16458,S_adenosyl_L_methionine,bmse000059,8,151.4918,1.4
16459,S_adenosyl_L_methionine,bmse000059,9,151.3094,4.84
16460,S_adenosyl_L_methionine,bmse000059,10,143.3489,7.53
16461,S_adenosyl_L_methionine,bmse000059,11,142.6447,2.96
16462,S_adenosyl_L_methionine,bmse000059,12,121.7408,3.05
16463,S_adenosyl_L_methionine,bmse000059,13,91.8,12.5
16464,S_adenosyl_L_methionine,bmse000059,14,90.1262,1.08
16465,S_adenosyl_L_methionine,bmse000059,15,90.0407,3.67
16466,S_adenosyl_L_methionine,bmse000059,16,85.9474,3.7
16467,S_adenosyl_L_methionine,bmse000059,17,81.4782,2.83
16468,S_adenosyl_L_methionine,bmse000059,18,80.8642,9.06
16469,S_adenosyl_L_methionine,bmse000059,19,76.1774,4.19
16470,S_adenosyl_L_methionine,bmse000059,20,75.6933,3.46
16471,S_adenosyl_L_methionine,bmse000059,21,75.4417,10.55
16472,S_adenosyl_L_methionine,bmse000059,22,75.2896,11.21
16473,S_adenosyl_L_methionine,bmse000059,23,75.2102,3.9
16474,S_adenosyl_L_methionine,bmse000059,24,75.0576,4.66
16475,S_adenosyl_L_methionine,bmse000059,25,61.3914,4.52
16476,S_adenosyl_L_methionine,bmse000059,26,60.181,3.6
16477,S_adenosyl_L_methionine,bmse000059,27,56.1328,4.11
16478,S_adenosyl_L_methionine,bmse000059,28,55.5398,11.64
16479,S_adenosyl_L_methionine,bmse000059,29,55.4732,3.85
16480,S_adenosyl_L_methionine,bmse000059,30,51.6245,1.02
16481,S_adenosyl_L_methionine,bmse000059,31,47.0027,7.3
16482,S_adenosyl_L_methionine,bmse000059,32,41.6503,2.53
16483,S_adenosyl_L_methionine,bmse000059,33,41.5608,8
16484,S_adenosyl_L_methionine,bmse000059,34,39.296,1.04
16485,S_adenosyl_L_methionine,bmse000059,35,38.5747,3.27
16486,S_adenosyl_L_methionine,bmse000059,36,34.9032,4.07
16487,S_adenosyl_L_methionine,bmse000059,37,28.138,8.12
16488,S_adenosyl_L_methionine,bmse000059,38,27.9802,2.58
16489,S_adenosyl_L_methionine,bmse000059,39,26.5384,1.05
16490,S_adenosyl_L_methionine,bmse000059,40,26.4688,3.89
16491,S_adenosyl_L_methionine,bmse000059,41,26.1398,11.37
16492,S_adenosyl_L_methionine,bmse000059,42,19.5416,3.82
16493,S_adenosyl_L_methionine,bmse000059,43,18.0425,2.93
16494,taurine,bmse000120,1,50.2124,12.5
16495,taurine,bmse000120,2,38.0682,11.7
16496,L_threitol,bmse000121,1,74.3047,12.5
16497,L_threitol,bmse000121,2,65.3263,12.42
16498,trans_4_hydroxy_L_proline,bmse000123,1,177.0263,1.29
16499,trans_4_hydroxy_L_proline,bmse000123,2,72.7686,12.34
16500,trans_4_hydroxy_L_proline,bmse000123,3,62.5265,8.41
16501,trans_4_hydroxy_L_proline,bmse000123,4,55.643,12.5
16502,trans_4_hydroxy_L_proline,bmse000123,5,40.1298,9.82
16503,trans_cinnamic_acid,bmse000124,1,143.5556,4.31
16504,trans_cinnamic_acid,bmse000124,2,137.8775,1.34
16505,trans_cinnamic_acid,bmse000124,3,132.3324,6.15
16506,trans_cinnamic_acid,bmse000124,4,131.6902,9.94
16507,trans_cinnamic_acid,bmse000124,5,130.4135,12.5
16508,trans_cinnamic_acid,bmse000124,6,126.8267,3.92
16509,D_trehalose,bmse000125,1,95.9171,12.5
16510,D_trehalose,bmse000125,2,75.2081,11.88
16511,D_trehalose,bmse000125,3,74.8491,10.1
16512,D_trehalose,bmse000125,4,73.7422,9.97
16513,D_trehalose,bmse000125,5,72.3894,11.58
16514,D_trehalose,bmse000125,6,63.2132,8.55
16515,uric_acid,bmse000126,1,167.6653,6.04
16516,uric_acid,bmse000126,2,165.3393,12.5
16517,uric_acid,bmse000126,3,162.2146,6.72
16518,uric_acid,bmse000126,4,156.4958,8.87
16519,uric_acid,bmse000126,5,104.5779,6.55
16520,xanthine,bmse000127,1,163.3303,1.9
16521,xanthine,bmse000127,2,161.9958,1.23
16522,xanthine,bmse000127,3,158.0123,1.54
16523,xanthine,bmse000127,4,142.7225,12.5
16524,xanthine,bmse000127,5,116.2503,1.15
16525,xanthosine,bmse000128,1,163.7475,1.41
16526,xanthosine,bmse000128,2,162.2764,1.3
16527,xanthosine,bmse000128,3,155.8547,2.56
16528,xanthosine,bmse000128,4,140.0607,9.27
16529,xanthosine,bmse000128,5,118.2068,1.28
16530,xanthosine,bmse000128,6,90.6608,11.73
16531,xanthosine,bmse000128,7,88.5324,12.41
16532,xanthosine,bmse000128,8,75.9737,12.5
16533,xanthosine,bmse000128,9,73.5577,11.03
16534,xanthosine,bmse000128,10,64.3556,8.81
16535,xylitol,bmse000129,1,74.6275,11.33
16536,xylitol,bmse000129,2,73.4743,6.7
16537,xylitol,bmse000129,3,65.3143,12.5
16538,tyramine,bmse000243,1,157.2984,1.41
16539,tyramine,bmse000243,2,132.9956,12.5
16540,tyramine,bmse000243,3,131.1649,2.03
16541,tyramine,bmse000243,4,118.5125,12.18
16542,tyramine,bmse000243,5,43.4518,5.34
16543,tyramine,bmse000243,6,34.6329,6.06
16544,L_carnosine,bmse000246,1,180.2008,3.84
16545,L_carnosine,bmse000246,2,174.3323,4.86
16546,L_carnosine,bmse000246,3,137.5197,9.53
16547,L_carnosine,bmse000246,4,134.6631,4.69
16548,L_carnosine,bmse000246,5,119.8491,10.48
16549,L_carnosine,bmse000246,6,57.5784,11.65
16550,L_carnosine,bmse000246,7,38.3703,11.44
16551,L_carnosine,bmse000246,8,34.7671,12.5
16552,L_carnosine,bmse000246,9,30.9947,9.98
16553,glycolate,bmse000245,1,182.6562,5.25
16554,glycolate,bmse000245,2,63.9098,12.5
16555,1_3_dimethylurea,bmse000248,1,29.1399,12.5
16556,D_glucosamine,bmse000247,1,96.7337,8.51
16557,D_glucosamine,bmse000247,2,92.4167,12.41
16558,D_glucosamine,bmse000247,3,78.843,9.89
16559,D_glucosamine,bmse000247,4,75.8685,8.3
16560,D_glucosamine,bmse000247,5,74.3489,12.5
16561,D_glucosamine,bmse000247,6,72.9419,11.22
16562,D_glucosamine,bmse000247,7,72.4037,9.8
16563,D_glucosamine,bmse000247,8,72.3301,12.04
16564,D_glucosamine,bmse000247,9,63.2894,7.62
16565,D_glucosamine,bmse000247,10,63.0782,11.08
16566,D_glucosamine,bmse000247,11,59.6847,8.44
16567,D_glucosamine,bmse000247,12,57.1428,11.73
16568,isethionic_acid,bmse000242,1,59.6397,12.02
16569,isethionic_acid,bmse000242,2,55.5295,12.5
16570,N_N_dimethylglycine,bmse000241,1,62.5717,6.55
16571,N_N_dimethylglycine,bmse000241,2,46.2286,12.5
16572,dihydroxyacetone,bmse000144,1,214.7833,3.78
16573,dihydroxyacetone,bmse000144,2,97.773,1.6
16574,dihydroxyacetone,bmse000144,3,66.2429,12.5
16575,N_acetyl_L_glutamine,bmse000145,1,181.3622,2.37
16576,N_acetyl_L_glutamine,bmse000145,2,181.1277,3.44
16577,N_acetyl_L_glutamine,bmse000145,3,176.3862,3.32
16578,N_acetyl_L_glutamine,bmse000145,4,57.3658,12.5
16579,N_acetyl_L_glutamine,bmse000145,5,34.4405,9.75
16580,N_acetyl_L_glutamine,bmse000145,6,30.4549,10.18
16581,N_acetyl_L_glutamine,bmse000145,7,24.6247,9.17
16582,ADA,bmse000146,1,180.0279,1.66
16583,ADA,bmse000146,2,60.0622,12.5
16584,ADA,bmse000146,3,59.955,1.44
16585,4_aminoantipyrine,bmse000147,1,144.7673,1.72
16586,4_aminoantipyrine,bmse000147,2,135.763,1.74
16587,4_aminoantipyrine,bmse000147,3,132.3952,12.5
16588,4_aminoantipyrine,bmse000147,4,131.8174,5.85
16589,4_aminoantipyrine,bmse000147,5,129.3212,12.35
16590,4_aminoantipyrine,bmse000147,6,37.2322,4.81
16591,4_aminoantipyrine,bmse000147,7,11.7408,4.42
16592,acetylcarnitine,bmse000142,1,179.354,4.03
16593,acetylcarnitine,bmse000142,2,175.4615,4.06
16594,acetylcarnitine,bmse000142,3,70.835,4.53
16595,acetylcarnitine,bmse000142,4,69.5734,12.5
16596,acetylcarnitine,bmse000142,5,56.5103,12.2
16597,acetylcarnitine,bmse000142,6,42.9071,9.73
16598,acetylcarnitine,bmse000142,7,23.3168,9.11
16599,5_acetylamido_2_chloroaniline,bmse000143,1,139.2064,3.06
16600,5_acetylamido_2_chloroaniline,bmse000143,2,132.3826,12.5
16601,5_acetylamido_2_chloroaniline,bmse000143,3,116.2078,11.5
16602,5_acetylamido_2_chloroaniline,bmse000143,4,112.9825,11.85
16603,5_acetylamido_2_chloroaniline,bmse000143,5,25.522,8.76
16604,uracil,bmse000187,1,170.2202,1.35
16605,uracil,bmse000187,2,146.2032,10.52
16606,uracil,bmse000187,3,103.7407,12.5
16607,cytidine,bmse000190,1,168.8862,2.92
16608,cytidine,bmse000190,2,160.3399,2.39
16609,cytidine,bmse000190,3,144.3268,8.93
16610,cytidine,bmse000190,4,98.9421,9.02
16611,cytidine,bmse000190,5,92.9764,11.59
16612,cytidine,bmse000190,6,86.4726,11.93
16613,cytidine,bmse000190,7,76.6665,12.26
16614,cytidine,bmse000190,8,71.9801,12.5
16615,cytidine,bmse000190,9,63.4255,9.89
16616,propionic_acid,bmse000179,1,187.7472,2.27
16617,propionic_acid,bmse000179,2,33.4143,12.5
16618,propionic_acid,bmse000179,3,12.8911,11.53
16619,cytosine,bmse000180,1,170.1095,1.09
16620,cytosine,bmse000180,2,145.8461,10.28
16621,cytosine,bmse000180,3,97.8181,12.5
16622,3_hydroxybutyrate,bmse000161,1,183.1934,2.18
16623,3_hydroxybutyrate,bmse000161,2,68.3994,9.53
16624,3_hydroxybutyrate,bmse000161,3,49.2195,12.5
16625,3_hydroxybutyrate,bmse000161,4,24.4317,11.28
16626,sarcosine,bmse000160,1,174.1787,1.69
16627,sarcosine,bmse000160,2,53.5151,12.5
16628,sarcosine,bmse000160,3,35.3495,10.56
16629,beta_alanine,bmse000159,1,181.1398,1.61
16630,beta_alanine,bmse000159,2,39.2339,9.51
16631,beta_alanine,bmse000159,3,36.2855,12.5
16632,uridine,bmse000158,1,169.0394,2.54
16633,uridine,bmse000158,2,154.4569,2.08
16634,uridine,bmse000158,3,144.529,8.58
16635,uridine,bmse000158,4,104.9743,9.81
16636,uridine,bmse000158,5,92.0363,11.1
16637,uridine,bmse000158,6,86.9005,11.88
16638,uridine,bmse000158,7,76.3651,11.81
16639,uridine,bmse000158,8,72.0985,12.5
16640,uridine,bmse000158,9,63.4211,9.74
16641,N_acetyl_L_alanine,bmse000157,1,183.142,2.18
16642,N_acetyl_L_alanine,bmse000157,2,176.0277,2.41
16643,N_acetyl_L_alanine,bmse000157,3,53.6895,12.5
16644,N_acetyl_L_alanine,bmse000157,4,24.5618,8.98
16645,N_acetyl_L_alanine,bmse000157,5,20.0042,11.11
16646,trimethyl_phosphonoacetate,bmse000156,1,56.6257,8.02
16647,trimethyl_phosphonoacetate,bmse000156,2,56.5607,8.02
16648,trimethyl_phosphonoacetate,bmse000156,3,55.9903,12.5
16649,creatinine,bmse000155,1,191.713,2.26
16650,creatinine,bmse000155,2,59.1239,12.5
16651,creatinine,bmse000155,3,58.8527,2.53
16652,creatinine,bmse000155,4,58.6295,1.96
16653,creatinine,bmse000155,5,32.9001,9.73
16654,4_2_aminoethyl_morpholine,bmse000154,1,68.8872,12.21
16655,4_2_aminoethyl_morpholine,bmse000154,2,56.9694,6.45
16656,4_2_aminoethyl_morpholine,bmse000154,3,55.1945,12.5
16657,4_2_aminoethyl_morpholine,bmse000154,4,38.3707,5.31
16658,L_methionine_methylsulfonium_iodide,bmse000153,1,176.1278,2.46
16659,L_methionine_methylsulfonium_iodide,bmse000153,2,55.6328,12.37
16660,L_methionine_methylsulfonium_iodide,bmse000153,3,42.2714,10.53
16661,L_methionine_methylsulfonium_iodide,bmse000153,4,28.1127,10.06
16662,L_methionine_methylsulfonium_iodide,bmse000153,5,27.4753,11.87
16663,L_methionine_methylsulfonium_iodide,bmse000153,6,27.4428,12.5
16664,trigonelline,bmse000152,1,170.5429,1.63
16665,trigonelline,bmse000152,2,148.7294,3.53
16666,trigonelline,bmse000152,3,148.5432,3.12
16667,trigonelline,bmse000152,4,147.4509,9.81
16668,trigonelline,bmse000152,5,139.591,3.58
16669,trigonelline,bmse000152,6,130.3808,12.5
16670,trigonelline,bmse000152,7,50.9868,3.8
16671,L_kynurenine,bmse000172,1,202.7838,4.18
16672,L_kynurenine,bmse000172,2,176.9655,3.82
16673,L_kynurenine,bmse000172,3,153.0281,3.8
16674,L_kynurenine,bmse000172,4,138.3201,10.63
16675,L_kynurenine,bmse000172,5,134.0077,10.47
16676,L_kynurenine,bmse000172,6,120.7487,12.5
16677,L_kynurenine,bmse000172,7,120.1347,3.19
16678,L_kynurenine,bmse000172,8,119.5469,11.71
16679,L_kynurenine,bmse000172,9,53.4373,9.6
16680,L_kynurenine,bmse000172,10,53.3893,1.75
16681,L_kynurenine,bmse000172,11,41.6724,9.4
16682,4_hydroxyphenethyl_alcohol,bmse000173,1,156.5231,1.3
16683,4_hydroxyphenethyl_alcohol,bmse000173,2,133.6531,2.03
16684,4_hydroxyphenethyl_alcohol,bmse000173,3,133.0108,12.05
16685,4_hydroxyphenethyl_alcohol,bmse000173,4,118.0973,12.5
16686,4_hydroxyphenethyl_alcohol,bmse000173,5,65.4628,5.4
16687,4_hydroxyphenethyl_alcohol,bmse000173,6,39.6054,5.27
16688,L_glutathione_oxidized,bmse000170,1,179.0431,5.08
16689,L_glutathione_oxidized,bmse000170,2,177.7295,7.27
16690,L_glutathione_oxidized,bmse000170,3,176.8436,5.71
16691,L_glutathione_oxidized,bmse000170,4,174.576,7.14
16692,L_glutathione_oxidized,bmse000170,5,56.7983,12.5
16693,L_glutathione_oxidized,bmse000170,6,55.2962,6.93
16694,L_glutathione_oxidized,bmse000170,7,46.1769,10
16695,L_glutathione_oxidized,bmse000170,8,41.3939,5.3
16696,L_glutathione_oxidized,bmse000170,9,34.0976,8.71
16697,L_glutathione_oxidized,bmse000170,10,28.9834,9.22
16698,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,1,137.9087,2.24
16699,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,2,137.8673,2.37
16700,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,3,131.376,12.5
16701,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,4,131.3613,12.49
16702,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,5,130.699,5.71
16703,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,6,130.6797,5.71
16704,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,7,130.3647,10.88
16705,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,8,130.3201,11.19
16706,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,9,58.3213,5.52
16707,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,10,57.0571,5.41
16708,2_amino_5_ethyl_1_3_4_thiadiazole,bmse000176,1,168.4472,1.23
16709,2_amino_5_ethyl_1_3_4_thiadiazole,bmse000176,2,25.8692,12.5
16710,2_amino_5_ethyl_1_3_4_thiadiazole,bmse000176,3,15.8228,11.49
16711,indole_3_acetic_acid,bmse000177,1,184.4014,2.14
16712,indole_3_acetic_acid,bmse000177,2,138.8639,1.78
16713,indole_3_acetic_acid,bmse000177,3,129.8341,1.84
16714,indole_3_acetic_acid,bmse000177,4,126.7302,9.37
16715,indole_3_acetic_acid,bmse000177,5,124.4124,12.5
16716,indole_3_acetic_acid,bmse000177,6,121.7961,11.6
16717,indole_3_acetic_acid,bmse000177,7,121.3961,11.96
16718,indole_3_acetic_acid,bmse000177,8,114.4077,11.75
16719,indole_3_acetic_acid,bmse000177,9,113.0393,2.26
16720,indole_3_acetic_acid,bmse000177,10,36.6627,11.8
16721,5_acetylamino_2_nitrobenzoic_acid,bmse000174,1,177.1121,2.86
16722,5_acetylamino_2_nitrobenzoic_acid,bmse000174,2,175.8429,2.97
16723,5_acetylamino_2_nitrobenzoic_acid,bmse000174,3,146.1205,4.91
16724,5_acetylamino_2_nitrobenzoic_acid,bmse000174,4,142.1751,2.25
16725,5_acetylamino_2_nitrobenzoic_acid,bmse000174,5,140.3992,5.19
16726,5_acetylamino_2_nitrobenzoic_acid,bmse000174,6,135.1671,1.17
16727,5_acetylamino_2_nitrobenzoic_acid,bmse000174,7,128.5755,12.5
16728,5_acetylamino_2_nitrobenzoic_acid,bmse000174,8,122.2003,7.85
16729,5_acetylamino_2_nitrobenzoic_acid,bmse000174,9,120.5307,8.5
16730,5_acetylamino_2_nitrobenzoic_acid,bmse000174,10,26.0734,7.9
16731,inosine_5_monophosphate,bmse000175,1,161.425,3.75
16732,inosine_5_monophosphate,bmse000175,2,151.4802,4.81
16733,inosine_5_monophosphate,bmse000175,3,149.0993,9.26
16734,inosine_5_monophosphate,bmse000175,4,142.6513,8.28
16735,inosine_5_monophosphate,bmse000175,5,126.224,3.55
16736,inosine_5_monophosphate,bmse000175,6,90.0513,11.57
16737,inosine_5_monophosphate,bmse000175,7,87.5897,6.17
16738,inosine_5_monophosphate,bmse000175,8,87.5029,6.25
16739,inosine_5_monophosphate,bmse000175,9,77.4723,12.43
16740,inosine_5_monophosphate,bmse000175,10,73.3415,12.5
16741,inosine_5_monophosphate,bmse000175,11,66.1817,4.69
16742,inosine_5_monophosphate,bmse000175,12,66.1371,4.9
16743,acetylcholine,bmse000168,1,175.9351,1.7
16744,acetylcholine,bmse000168,2,67.2352,3.17
16745,acetylcholine,bmse000168,3,67.2022,3.69
16746,acetylcholine,bmse000168,4,67.1693,3.21
16747,acetylcholine,bmse000168,5,61.0489,9.91
16748,acetylcholine,bmse000168,6,56.5037,10.75
16749,acetylcholine,bmse000168,7,56.4653,12.5
16750,acetylcholine,bmse000168,8,56.4269,11.09
16751,acetylcholine,bmse000168,9,22.907,5.01
16752,L_selenomethionine,bmse000169,1,177.0007,2.6
16753,L_selenomethionine,bmse000169,2,57.4374,11.47
16754,L_selenomethionine,bmse000169,3,33.6291,11.68
16755,L_selenomethionine,bmse000169,4,21.9577,12.5
16756,L_selenomethionine,bmse000169,5,5.9908,6.84
16757,L_carnitine,bmse000211,1,180.7932,2.55
16758,L_carnitine,bmse000211,2,72.8484,3.55
16759,L_carnitine,bmse000211,3,72.8194,4.35
16760,L_carnitine,bmse000211,4,72.7905,3.77
16761,L_carnitine,bmse000211,5,66.787,9.83
16762,L_carnitine,bmse000211,6,56.8352,10.16
16763,L_carnitine,bmse000211,7,56.7971,12.5
16764,L_carnitine,bmse000211,8,56.7587,10.72
16765,L_carnitine,bmse000211,9,45.6836,6.68
16766,2_deoxyguanosine_5_triphosphate,bmse000210,1,161.5994,4.1
16767,2_deoxyguanosine_5_triphosphate,bmse000210,2,156.5483,6.62
16768,2_deoxyguanosine_5_triphosphate,bmse000210,3,153.9201,3.76
16769,2_deoxyguanosine_5_triphosphate,bmse000210,4,140.177,4.97
16770,2_deoxyguanosine_5_triphosphate,bmse000210,5,118.7094,3.56
16771,2_deoxyguanosine_5_triphosphate,bmse000210,6,88.3356,4.95
16772,2_deoxyguanosine_5_triphosphate,bmse000210,7,88.2497,5.03
16773,2_deoxyguanosine_5_triphosphate,bmse000210,8,86.1217,10.42
16774,2_deoxyguanosine_5_triphosphate,bmse000210,9,85.9663,1.24
16775,2_deoxyguanosine_5_triphosphate,bmse000210,10,73.5912,12.5
16776,2_deoxyguanosine_5_triphosphate,bmse000210,11,73.4257,1.36
16777,2_deoxyguanosine_5_triphosphate,bmse000210,12,68.0836,4.3
16778,2_deoxyguanosine_5_triphosphate,bmse000210,13,68.0298,4.01
16779,2_deoxyguanosine_5_triphosphate,bmse000210,14,60.1564,2.92
16780,2_deoxyguanosine_5_triphosphate,bmse000210,15,41.4696,9.7
16781,2_deoxyguanosine_5_triphosphate,bmse000210,16,19.5226,3.19
16782,L_glutathione_reduced,bmse000185,1,179.0844,3.34
16783,L_glutathione_reduced,bmse000185,2,177.7381,6.24
16784,L_glutathione_reduced,bmse000185,3,176.8762,4.09
16785,L_glutathione_reduced,bmse000185,4,174.517,4.49
16786,L_glutathione_reduced,bmse000185,5,58.485,9.28
16787,L_glutathione_reduced,bmse000185,6,56.8252,12.5
16788,L_glutathione_reduced,bmse000185,7,46.0594,11.98
16789,L_glutathione_reduced,bmse000185,8,34.0617,10.25
16790,L_glutathione_reduced,bmse000185,9,28.9279,10.05
16791,L_glutathione_reduced,bmse000185,10,28.2991,8.79
16792,L-ascorbate,bmse000182,1,180.3168,1.43
16793,L-ascorbate,bmse000182,2,178.4832,2.74
16794,L-ascorbate,bmse000182,3,115.802,1.21
16795,L-ascorbate,bmse000182,4,81.1004,12.5
16796,L-ascorbate,bmse000182,5,72.2534,11.82
16797,L-ascorbate,bmse000182,6,65.2522,10.99
16798,glycerol,bmse000184,1,74.7687,5.34
16799,glycerol,bmse000184,2,65.1855,12.5
16800,succinic_acid,bmse000183,1,185.1723,12.5
16801,diethyl_oxalacetate,bmse000148,1,175.4103,2.81
16802,diethyl_oxalacetate,bmse000148,2,174.3091,2.64
16803,diethyl_oxalacetate,bmse000148,3,173.4326,3.11
16804,diethyl_oxalacetate,bmse000148,4,168.1048,3.57
16805,diethyl_oxalacetate,bmse000148,5,163.0751,2.84
16806,diethyl_oxalacetate,bmse000148,6,107.9727,2.93
16807,diethyl_oxalacetate,bmse000148,7,66.4032,12.5
17492,NADP,bmse000263,3,155.428,9.01
16808,diethyl_oxalacetate,bmse000148,8,64.8073,11.65
16809,diethyl_oxalacetate,bmse000148,9,63.2252,12.35
16810,diethyl_oxalacetate,bmse000148,10,60.1425,6.53
16811,diethyl_oxalacetate,bmse000148,11,19.5054,7.69
16812,diethyl_oxalacetate,bmse000148,12,16.4349,10.31
16813,diethyl_oxalacetate,bmse000148,13,16.0264,10.85
16814,diethyl_oxalacetate,bmse000148,14,15.8307,11.05
16815,diethyl_oxalacetate,bmse000148,15,8.3719,1.46
16816,methyl_4_aminobutyrate,bmse000249,1,178.332,2.3
16817,methyl_4_aminobutyrate,bmse000249,2,55.0318,9.91
16818,methyl_4_aminobutyrate,bmse000249,3,41.3931,9.31
16819,methyl_4_aminobutyrate,bmse000249,4,33.2371,12.5
16820,methyl_4_aminobutyrate,bmse000249,5,24.7364,10.01
16821,acetic_acid,bmse000191,1,25.9921,12.5
16822,DL_alpha_glycerol_phosphate,bmse000193,1,74.017,6.6
16823,DL_alpha_glycerol_phosphate,bmse000193,2,73.9509,6.61
16824,DL_alpha_glycerol_phosphate,bmse000193,3,67.5764,6.42
16825,DL_alpha_glycerol_phosphate,bmse000193,4,67.5279,6.33
16826,DL_alpha_glycerol_phosphate,bmse000193,5,64.9909,12.5
16827,L_arginine_L_glutamate,bmse000194,1,184.0271,2.62
16828,L_arginine_L_glutamate,bmse000194,2,177.3004,2.69
16829,L_arginine_L_glutamate,bmse000194,3,177.2486,3.51
16830,L_arginine_L_glutamate,bmse000194,4,159.5217,1.58
16831,L_arginine_L_glutamate,bmse000194,5,57.3276,11.34
16832,L_arginine_L_glutamate,bmse000194,6,56.9877,12.33
16833,L_arginine_L_glutamate,bmse000194,7,43.187,10.69
16834,L_arginine_L_glutamate,bmse000194,8,36.1773,12.5
16835,L_arginine_L_glutamate,bmse000194,9,30.2821,11.31
16836,L_arginine_L_glutamate,bmse000194,10,29.6813,11.66
16837,L_arginine_L_glutamate,bmse000194,11,26.565,9.36
16838,N_alpha_acetyl_DL_ornithine,bmse000195,1,181.278,2.84
16839,N_alpha_acetyl_DL_ornithine,bmse000195,2,176.3942,3.3
16840,N_alpha_acetyl_DL_ornithine,bmse000195,3,57.2647,12.5
16841,N_alpha_acetyl_DL_ornithine,bmse000195,4,41.7026,11.36
16842,N_alpha_acetyl_DL_ornithine,bmse000195,5,31.2562,11.58
16843,N_alpha_acetyl_DL_ornithine,bmse000195,6,26.1175,10.85
16844,N_alpha_acetyl_DL_ornithine,bmse000195,7,24.6039,9.43
16845,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,1,177.1802,4.22
16846,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,2,100.7816,12.14
16847,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,3,74.3693,12.5
16848,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,4,73.8173,11.87
16849,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,5,72.6604,11.86
16850,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,6,63.2442,9.78
16851,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,7,57.84,10.7
16852,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,8,56.3295,11.36
16853,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,9,24.5939,9.03
16854,N_acetyl_D_glucosamine_1_phosphate,bmse000197,1,177.4262,6.89
16855,N_acetyl_D_glucosamine_1_phosphate,bmse000197,2,95.5064,6.59
16856,N_acetyl_D_glucosamine_1_phosphate,bmse000197,3,95.4519,6.61
16857,N_acetyl_D_glucosamine_1_phosphate,bmse000197,4,74.8112,12.48
16858,N_acetyl_D_glucosamine_1_phosphate,bmse000197,5,74.1248,11.53
16859,N_acetyl_D_glucosamine_1_phosphate,bmse000197,6,72.717,12.5
16860,N_acetyl_D_glucosamine_1_phosphate,bmse000197,7,63.3991,10.48
16861,N_acetyl_D_glucosamine_1_phosphate,bmse000197,8,60.1385,1.19
16862,N_acetyl_D_glucosamine_1_phosphate,bmse000197,9,56.8941,6.31
16863,N_acetyl_D_glucosamine_1_phosphate,bmse000197,10,56.82,5.92
16864,N_acetyl_D_glucosamine_1_phosphate,bmse000197,11,24.8547,11.82
16865,N_acetyl_D_glucosamine_1_phosphate,bmse000197,12,19.5064,1.35
16866,6_phosphogluconic_acid,bmse000198,1,181.6058,3.57
16867,6_phosphogluconic_acid,bmse000198,2,76.871,10.24
16868,6_phosphogluconic_acid,bmse000198,3,74.5728,12.34
16869,6_phosphogluconic_acid,bmse000198,4,73.5923,12.5
16870,6_phosphogluconic_acid,bmse000198,5,73.3427,6.13
16871,6_phosphogluconic_acid,bmse000198,6,73.2817,6
16872,6_phosphogluconic_acid,bmse000198,7,67.8378,5.3
16873,6_phosphogluconic_acid,bmse000198,8,67.7897,5.02
16874,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,1,177.4856,7.09
16875,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,2,169.018,6.26
16876,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,3,154.5678,4.71
16877,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,4,144.3458,8.41
16878,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,5,105.3664,9.76
16879,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,6,97.2217,5.52
16880,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,7,97.1586,5.3
16881,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,8,91.2324,10.4
16882,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,9,85.9265,5.45
16883,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,10,85.8356,5.37
16884,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,11,76.5038,12.5
16885,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,12,75.7265,10.47
16886,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,13,73.618,9.4
16887,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,14,72.3363,12.03
16888,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,15,72.1894,10.68
16889,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,16,67.7104,4.06
16890,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,17,67.6547,4.21
16987,D_galacturonic_acid,bmse000216,8,78.2191,12.5
16891,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,18,63.011,8.29
16892,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,19,56.4123,4.85
16893,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,20,56.3279,4.86
16894,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,21,24.8017,11.06
16895,D_glucosamine_6_phosphate,bmse000189,1,96.7641,3.96
16896,D_glucosamine_6_phosphate,bmse000189,2,92.5468,9.11
16897,D_glucosamine_6_phosphate,bmse000189,3,78.573,7.72
16898,D_glucosamine_6_phosphate,bmse000189,4,78.5029,8.09
16899,D_glucosamine_6_phosphate,bmse000189,5,75.3,3.82
16900,D_glucosamine_6_phosphate,bmse000189,6,74.241,8.9
16901,D_glucosamine_6_phosphate,bmse000189,7,74.1735,8.79
16902,D_glucosamine_6_phosphate,bmse000189,8,72.61,7.6
16903,D_glucosamine_6_phosphate,bmse000189,9,72.216,8.01
16904,D_glucosamine_6_phosphate,bmse000189,10,72.0861,11.81
16905,D_glucosamine_6_phosphate,bmse000189,11,65.6945,5.67
16906,D_glucosamine_6_phosphate,bmse000189,12,65.5318,8.2
16907,D_glucosamine_6_phosphate,bmse000189,13,59.9922,8.37
16908,D_glucosamine_6_phosphate,bmse000189,14,57.442,12.5
16909,N_acetyl_D_glucosamine_6_phosphate,bmse000205,1,177.6459,3.99
16910,N_acetyl_D_glucosamine_6_phosphate,bmse000205,2,177.3558,6.21
16911,N_acetyl_D_glucosamine_6_phosphate,bmse000205,3,97.9785,9.64
16912,N_acetyl_D_glucosamine_6_phosphate,bmse000205,4,93.8355,12.5
16913,N_acetyl_D_glucosamine_6_phosphate,bmse000205,5,78.3788,4.55
16914,N_acetyl_D_glucosamine_6_phosphate,bmse000205,6,78.3082,5
16915,N_acetyl_D_glucosamine_6_phosphate,bmse000205,7,76.3335,8.77
16916,N_acetyl_D_glucosamine_6_phosphate,bmse000205,8,74.1312,5.77
16917,N_acetyl_D_glucosamine_6_phosphate,bmse000205,9,74.0636,5.71
16918,N_acetyl_D_glucosamine_6_phosphate,bmse000205,10,73.273,9.62
16919,N_acetyl_D_glucosamine_6_phosphate,bmse000205,11,72.5985,6.43
16920,N_acetyl_D_glucosamine_6_phosphate,bmse000205,12,72.4066,4.3
16921,N_acetyl_D_glucosamine_6_phosphate,bmse000205,13,65.8183,6.34
16922,N_acetyl_D_glucosamine_6_phosphate,bmse000205,14,59.7314,6.92
16923,N_acetyl_D_glucosamine_6_phosphate,bmse000205,15,57.09,11.32
16924,N_acetyl_D_glucosamine_6_phosphate,bmse000205,16,25.09,7.17
16925,N_acetyl_D_glucosamine_6_phosphate,bmse000205,17,24.8284,8.82
16926,N_acetyl_D_glucosamine_6_phosphate,bmse000205,18,24.6366,2.13
16927,N_acetyl_D_glucosamine_6_phosphate,bmse000205,19,8.3826,2.3
16928,formate,bmse000203,1,173.8915,12.5
16929,HEPES,bmse000202,1,60.8048,5.44
16930,HEPES,bmse000202,2,58.5772,7.51
16931,HEPES,bmse000202,3,54.5149,8.11
16932,HEPES,bmse000202,4,54.0844,12.5
16933,HEPES,bmse000202,5,52.383,11.07
16934,HEPES,bmse000202,6,50.0053,7.83
16935,D_citrulline,bmse000209,1,177.3935,5.6
16936,D_citrulline,bmse000209,2,164.2858,1.35
16937,D_citrulline,bmse000209,3,57.1942,10.87
16938,D_citrulline,bmse000209,4,41.9172,1.9
16939,D_citrulline,bmse000209,5,30.442,12.5
16940,D_citrulline,bmse000209,6,27.6603,6.22
16941,tryptamine,bmse000207,1,139.1467,1.96
16942,tryptamine,bmse000207,2,129.1548,2.05
16943,tryptamine,bmse000207,3,127.0515,9.42
16944,tryptamine,bmse000207,4,124.8771,12.23
16945,tryptamine,bmse000207,5,122.1292,11.7
16946,tryptamine,bmse000207,6,121.0332,11.62
16947,tryptamine,bmse000207,7,114.7782,11.66
16948,tryptamine,bmse000207,8,111.7871,2.5
16949,tryptamine,bmse000207,9,42.4461,10.28
16950,tryptamine,bmse000207,10,25.3872,12.5
16951,caffeine,bmse000206,1,158.3677,2.3
16952,caffeine,bmse000206,2,154.8444,2.1
16953,caffeine,bmse000206,3,150.6943,2.53
16954,caffeine,bmse000206,4,146.1726,12.5
16955,caffeine,bmse000206,5,109.992,1.93
16956,caffeine,bmse000206,6,36.1671,12
16957,caffeine,bmse000206,7,32.5176,11.72
16958,caffeine,bmse000206,8,30.6092,12.15
16959,DL_serine,bmse000222,1,175.1858,1.49
16960,DL_serine,bmse000222,2,62.8818,12.5
16961,DL_serine,bmse000222,3,59.0696,9.18
16962,kanamycin,bmse000201,1,103.0882,11.25
16963,kanamycin,bmse000201,2,99.3708,11.19
16964,kanamycin,bmse000201,3,87.4547,11.03
16965,kanamycin,bmse000201,4,82.3518,10.12
16966,kanamycin,bmse000201,5,76.1335,11.05
16967,kanamycin,bmse000201,6,75.2746,11.27
16968,kanamycin,bmse000201,7,74.8051,11.96
16969,kanamycin,bmse000201,8,73.8216,11.92
16970,kanamycin,bmse000201,9,73.7132,12.5
16971,kanamycin,bmse000201,10,71.3274,11.8
16972,kanamycin,bmse000201,11,71.2135,10.89
16973,kanamycin,bmse000201,12,68.4669,11.25
16974,kanamycin,bmse000201,13,62.5738,8.79
16975,kanamycin,bmse000201,14,57.6876,10.31
16976,kanamycin,bmse000201,15,52.8142,10.87
16977,kanamycin,bmse000201,16,50.8624,10.67
16978,kanamycin,bmse000201,17,43.1772,9.79
16979,kanamycin,bmse000201,18,32.4006,6.43
16980,D_galacturonic_acid,bmse000216,1,178.7328,1.92
16981,D_galacturonic_acid,bmse000216,2,177.8683,2.95
16982,D_galacturonic_acid,bmse000216,3,103.6266,1.14
16983,D_galacturonic_acid,bmse000216,4,98.6973,11.64
16984,D_galacturonic_acid,bmse000216,5,94.8821,8.1
16985,D_galacturonic_acid,bmse000216,6,86.1096,1.16
16986,D_galacturonic_acid,bmse000216,7,83.8927,1.25
16988,D_galacturonic_acid,bmse000216,9,75.5921,12.15
16989,D_galacturonic_acid,bmse000216,10,74.2733,11.54
16990,D_galacturonic_acid,bmse000216,11,74.0687,8.3
16991,D_galacturonic_acid,bmse000216,12,73.5175,7.92
16992,D_galacturonic_acid,bmse000216,13,73.4128,1.2
16993,D_galacturonic_acid,bmse000216,14,73.0403,11.9
16994,D_galacturonic_acid,bmse000216,15,72.0425,8.11
16995,D_galacturonic_acid,bmse000216,16,70.7295,8.19
16996,melibiose,bmse000215,1,100.9074,4.94
16997,melibiose,bmse000215,2,100.8624,8.18
16998,melibiose,bmse000215,3,98.7735,7.77
16999,melibiose,bmse000215,4,94.8936,4.8
17000,melibiose,bmse000215,5,78.5818,7.92
17001,melibiose,bmse000215,6,77.0481,7.86
17002,melibiose,bmse000215,7,76.7432,7.91
17003,melibiose,bmse000215,8,75.641,4.51
17004,melibiose,bmse000215,9,74.115,4.66
17005,melibiose,bmse000215,10,73.6521,8.63
17006,melibiose,bmse000215,11,72.7897,4.38
17007,melibiose,bmse000215,12,72.2675,4.58
17008,melibiose,bmse000215,13,72.1681,11.13
17009,melibiose,bmse000215,14,72.1168,8.41
17010,melibiose,bmse000215,15,71.8969,12.5
17011,melibiose,bmse000215,16,71.1809,5.01
17012,melibiose,bmse000215,17,71.1499,8
17013,melibiose,bmse000215,18,68.5997,3.4
17014,melibiose,bmse000215,19,68.5048,5.74
17015,melibiose,bmse000215,20,63.7993,7.48
17016,raffinose,bmse000221,1,106.4984,12
17017,raffinose,bmse000221,2,101.1619,11.75
17018,raffinose,bmse000221,3,94.8107,10.5
17019,raffinose,bmse000221,4,84.0386,10.37
17020,raffinose,bmse000221,5,78.9908,10.66
17021,raffinose,bmse000221,6,76.6708,10.74
17022,raffinose,bmse000221,7,75.3481,10.62
17023,raffinose,bmse000221,8,74.0893,10.03
17024,raffinose,bmse000221,9,73.7298,10.76
17025,raffinose,bmse000221,10,73.6491,10.76
17026,raffinose,bmse000221,11,72.1375,11.45
17027,raffinose,bmse000221,12,72.0811,10.61
17028,raffinose,bmse000221,13,71.8977,12.5
17029,raffinose,bmse000221,14,71.1782,10.63
17030,raffinose,bmse000221,15,68.5609,7.4
17031,raffinose,bmse000221,16,65.174,9.27
17032,raffinose,bmse000221,17,64.0591,8.59
17033,raffinose,bmse000221,18,63.8064,10.78
17034,phenylacetic_acid,bmse000220,1,140.0132,1.48
17035,phenylacetic_acid,bmse000220,2,131.8678,12.4
17036,phenylacetic_acid,bmse000220,3,131.3739,12.5
17037,phenylacetic_acid,bmse000220,4,129.1624,7.27
17038,phenylacetic_acid,bmse000220,5,47.1763,7.68
17039,quinolinic_acid,bmse000219,1,151.0633,4.64
17040,quinolinic_acid,bmse000219,2,139.9295,12.5
17041,quinolinic_acid,bmse000219,3,134.2225,1.66
17042,quinolinic_acid,bmse000219,4,126.3609,1.43
17043,L_arabinose,bmse000213,1,99.4707,11.84
17044,L_arabinose,bmse000213,2,95.2773,6.36
17045,L_arabinose,bmse000213,3,85.6557,1.01
17046,L_arabinose,bmse000213,4,75.1558,12.46
17047,L_arabinose,bmse000213,5,74.5445,11.65
17048,L_arabinose,bmse000213,6,71.3975,5.23
17049,L_arabinose,bmse000213,7,71.291,6.33
17050,L_arabinose,bmse000213,8,71.19,12.5
17051,L_arabinose,bmse000213,9,71.1316,6.46
17052,L_arabinose,bmse000213,10,69.092,10.76
17053,L_arabinose,bmse000213,11,65.1629,5.63
17054,L_arabinose,bmse000213,12,63.7809,1.01
17055,maleic_acid,bmse000212,1,178.0156,12.5
17056,maleic_acid,bmse000212,2,138.0455,2.52
17057,trimethylamine,bmse000224,1,47.3627,12.5
17058,FAD,bmse000226,1,164.0687,6.03
17059,FAD,bmse000226,2,160.4644,6.44
17060,FAD,bmse000226,3,157.4008,5.27
17061,FAD,bmse000226,4,155.0401,6.79
17062,FAD,bmse000226,5,153.2024,6.31
17063,FAD,bmse000226,6,152.7018,4.88
17064,FAD,bmse000226,7,150.7506,8.42
17065,FAD,bmse000226,8,141.8033,9.25
17066,FAD,bmse000226,9,137.3022,7.38
17067,FAD,bmse000226,10,136.7199,6.9
17068,FAD,bmse000226,11,134.1126,5.24
17069,FAD,bmse000226,12,133.1145,6.31
17070,FAD,bmse000226,13,120.4006,4.97
17071,FAD,bmse000226,14,119.1392,5.98
17072,FAD,bmse000226,15,89.8286,8.42
17073,FAD,bmse000226,16,86.1706,4.9
17074,FAD,bmse000226,17,77.5902,9.53
17075,FAD,bmse000226,18,75.1902,7.63
17076,FAD,bmse000226,19,73.8874,4.74
17077,FAD,bmse000226,20,72.6742,9.77
17078,FAD,bmse000226,21,72.0204,7.14
17079,FAD,bmse000226,22,49.8304,4.6
17080,FAD,bmse000226,23,23.4503,12.23
17081,FAD,bmse000226,24,21.3064,12.5
17082,biotin,bmse000227,1,186.5202,3.08
17083,biotin,bmse000227,2,168.1155,1.31
17084,biotin,bmse000227,3,64.7083,11.47
17085,biotin,bmse000227,4,62.9655,10.94
17086,biotin,bmse000227,5,58.0656,12.5
17087,biotin,bmse000227,6,42.4481,10.02
17088,biotin,bmse000227,7,40.0331,11.31
17089,biotin,bmse000227,8,30.9897,10.73
17090,biotin,bmse000227,9,30.4007,10.87
17091,biotin,bmse000227,10,28.3888,11.03
17092,L_malic_acid,bmse000238,1,183.7653,2.22
17093,L_malic_acid,bmse000238,2,182.5621,2.11
17094,L_malic_acid,bmse000238,3,73.0565,11
17095,L_malic_acid,bmse000238,4,45.325,12.5
17096,DL_pipecolic_acid,bmse000237,1,177.3687,2.02
17097,DL_pipecolic_acid,bmse000237,2,61.7014,10.46
17098,DL_pipecolic_acid,bmse000237,3,46.3684,11.14
17099,DL_pipecolic_acid,bmse000237,4,29.2254,12.03
17100,DL_pipecolic_acid,bmse000237,5,24.5183,12.5
17101,DL_pipecolic_acid,bmse000237,6,24.2597,11.72
17102,alpha_naphthoic_acid,bmse000178,1,180.9525,1.22
17103,alpha_naphthoic_acid,bmse000178,2,140.3164,2.38
17104,alpha_naphthoic_acid,bmse000178,3,136.0023,3.43
17105,alpha_naphthoic_acid,bmse000178,4,131.8378,2.83
17106,alpha_naphthoic_acid,bmse000178,5,131.5775,11.93
17107,alpha_naphthoic_acid,bmse000178,6,130.9661,12.32
17108,alpha_naphthoic_acid,bmse000178,7,129.4469,11.78
17109,alpha_naphthoic_acid,bmse000178,8,128.9278,12.24
17110,alpha_naphthoic_acid,bmse000178,9,128.3008,11.2
17111,alpha_naphthoic_acid,bmse000178,10,128.1263,11.47
17112,alpha_naphthoic_acid,bmse000178,11,126.9179,12.5
17113,L_lactic_acid,bmse000208,1,185.2568,1.47
17114,L_lactic_acid,bmse000208,2,71.1986,10.31
17115,L_lactic_acid,bmse000208,3,22.7605,12.5
17116,thymidine,bmse000244,1,169.2606,1.96
17117,thymidine,bmse000244,2,154.4362,2.17
17118,thymidine,bmse000244,3,140.2111,10.41
17119,thymidine,bmse000244,4,114.1556,4.85
17120,thymidine,bmse000244,5,89.1962,12.5
17121,thymidine,bmse000244,6,87.7135,11.37
17122,thymidine,bmse000244,7,73.1301,12.1
17123,thymidine,bmse000244,8,63.8632,10.49
17124,thymidine,bmse000244,9,41.1957,10.46
17125,thymidine,bmse000244,10,14.2614,10.1
17126,citraconic_acid,bmse000199,1,182.5855,1.19
17127,citraconic_acid,bmse000199,2,177.0006,1.62
17128,citraconic_acid,bmse000199,3,150.7235,3.14
17129,citraconic_acid,bmse000199,4,122.9987,12.5
17130,citraconic_acid,bmse000199,5,23.083,10.26
17131,homogentisic_acid,bmse000200,1,183.4495,2.25
17132,homogentisic_acid,bmse000200,2,151.5798,3.49
17133,homogentisic_acid,bmse000200,3,150.3577,2.71
17134,homogentisic_acid,bmse000200,4,128.3103,4.07
17135,homogentisic_acid,bmse000200,5,120.3611,12.12
17136,homogentisic_acid,bmse000200,6,119.7948,12.5
17137,homogentisic_acid,bmse000200,7,117.1989,12.11
17138,homogentisic_acid,bmse000200,8,42.6626,11.69
17139,isonicotinic_acid,bmse000133,1,152.265,11.27
17140,isonicotinic_acid,bmse000133,2,143.3482,1.49
17141,isonicotinic_acid,bmse000133,3,124.3227,12.5
17142,homovanillic_acid,bmse000132,1,184.0342,2.31
17143,homovanillic_acid,bmse000132,2,149.9125,2.75
17144,homovanillic_acid,bmse000132,3,145.8277,2.64
17145,homovanillic_acid,bmse000132,4,132.7556,4.92
17146,homovanillic_acid,bmse000132,5,124.6363,12.01
17147,homovanillic_acid,bmse000132,6,118.1634,12.5
17148,homovanillic_acid,bmse000132,7,116.1596,11.86
17149,homovanillic_acid,bmse000132,8,58.5972,11.89
17150,homovanillic_acid,bmse000132,9,46.5865,11.75
17151,cyanuric_acid,bmse000135,1,158.7585,12.5
17152,ethacrynic_acid,bmse000134,1,202.3118,4.43
17153,ethacrynic_acid,bmse000134,2,177.9826,5
17154,ethacrynic_acid,bmse000134,3,158.7271,7.04
17155,ethacrynic_acid,bmse000134,4,152.4416,9.11
17156,ethacrynic_acid,bmse000134,5,134.6377,7.45
17157,ethacrynic_acid,bmse000134,6,134.3055,7.14
17158,ethacrynic_acid,bmse000134,7,133.1034,4.2
17159,ethacrynic_acid,bmse000134,8,130.6445,11.98
17160,ethacrynic_acid,bmse000134,9,124.6188,3.16
17161,ethacrynic_acid,bmse000134,10,113.5528,12.1
17162,ethacrynic_acid,bmse000134,11,70.3721,12.5
17163,ethacrynic_acid,bmse000134,12,25.8093,12.14
17164,ethacrynic_acid,bmse000134,13,14.5372,10.57
17165,itaconic_acid,bmse000137,1,183.4319,1.66
17166,itaconic_acid,bmse000137,2,144.4598,3.08
17167,itaconic_acid,bmse000137,3,124.7498,11.94
17168,itaconic_acid,bmse000137,4,44.7199,12.5
17169,amygdalin,bmse000139,1,135.1591,3.04
17170,amygdalin,bmse000139,2,133.2211,4.82
17171,amygdalin,bmse000139,3,132.0805,12.5
17172,amygdalin,bmse000139,4,130.5071,12.26
17173,amygdalin,bmse000139,5,121.2539,2.79
17174,amygdalin,bmse000139,6,105.5549,5
17175,amygdalin,bmse000139,7,104.1485,4.67
17176,amygdalin,bmse000139,8,78.6035,5.33
17177,amygdalin,bmse000139,9,78.2945,5.19
17178,amygdalin,bmse000139,10,78.182,4.9
17179,amygdalin,bmse000139,11,78.0819,4.95
17180,amygdalin,bmse000139,12,75.9,5.09
17181,amygdalin,bmse000139,13,75.4567,4.78
17182,amygdalin,bmse000139,14,72.369,5.36
17183,amygdalin,bmse000139,15,71.8621,4.67
17184,amygdalin,bmse000139,16,71.7644,5.77
17185,amygdalin,bmse000139,17,70.9831,3.34
17186,amygdalin,bmse000139,18,63.4233,3.79
17187,D_cellobiose,bmse000138,1,105.2663,8.21
17188,D_cellobiose,bmse000138,2,105.2381,5.61
17189,D_cellobiose,bmse000138,3,98.4528,7.32
17190,D_cellobiose,bmse000138,4,94.5197,4.61
17191,D_cellobiose,bmse000138,5,81.4215,4.68
17192,D_cellobiose,bmse000138,6,81.2838,7.67
17193,D_cellobiose,bmse000138,7,78.6932,12.12
17194,D_cellobiose,bmse000138,8,78.1874,12.5
17195,D_cellobiose,bmse000138,9,77.5013,7.76
17196,D_cellobiose,bmse000138,10,76.9856,7.78
17197,D_cellobiose,bmse000138,11,76.5907,7.38
17198,D_cellobiose,bmse000138,12,75.8703,9.08
17199,D_cellobiose,bmse000138,13,74.0348,4.8
17200,D_cellobiose,bmse000138,14,73.925,5.13
17201,D_cellobiose,bmse000138,15,72.8163,4.72
17202,D_cellobiose,bmse000138,16,72.1615,6.12
17203,D_cellobiose,bmse000138,17,72.1439,8.59
17204,D_cellobiose,bmse000138,18,63.2643,6.56
17205,D_cellobiose,bmse000138,19,62.74,5.36
17206,D_cellobiose,bmse000138,20,62.606,3.56
17207,gamma_D_galactonolactone,bmse000141,1,178.7234,2.86
17208,gamma_D_galactonolactone,bmse000141,2,82.7298,12.5
17209,gamma_D_galactonolactone,bmse000141,3,76.4007,12.48
17210,gamma_D_galactonolactone,bmse000141,4,75.5187,12.19
17211,gamma_D_galactonolactone,bmse000141,5,74.2346,3.63
17212,gamma_D_galactonolactone,bmse000141,6,74.0161,3.26
17213,gamma_D_galactonolactone,bmse000141,7,72.7812,3.45
17214,gamma_D_galactonolactone,bmse000141,8,72.4324,3.36
17215,gamma_D_galactonolactone,bmse000141,9,71.5773,12.34
17216,gamma_D_galactonolactone,bmse000141,10,66.0277,3.07
17217,gamma_D_galactonolactone,bmse000141,11,64.6899,11.19
17218,D_glucuronate,bmse000140,1,179.6525,1.52
17219,D_glucuronate,bmse000140,2,178.6724,2.78
17220,D_glucuronate,bmse000140,3,98.5755,11.73
17221,D_glucuronate,bmse000140,4,94.8123,7.69
17222,D_glucuronate,bmse000140,5,78.959,12.5
17223,D_glucuronate,bmse000140,6,78.2467,11.99
17224,D_glucuronate,bmse000140,7,76.6906,11.59
17225,D_glucuronate,bmse000140,8,75.2591,7.37
17226,D_glucuronate,bmse000140,9,74.8051,6.93
17227,D_glucuronate,bmse000140,10,74.5748,8
17228,D_glucuronate,bmse000140,11,74.5431,12.46
17229,D_glucuronate,bmse000140,12,73.9985,7.55
17230,L_gulonolactone,bmse000235,1,180.7006,2.42
17231,L_gulonolactone,bmse000235,2,84.0626,11.74
17232,L_gulonolactone,bmse000235,3,76.1965,2.96
17233,L_gulonolactone,bmse000235,4,75.331,3.02
17234,L_gulonolactone,bmse000235,5,74.9955,3.01
17235,L_gulonolactone,bmse000235,6,73.5223,12.5
17236,L_gulonolactone,bmse000235,7,73.1631,3.21
17237,L_gulonolactone,bmse000235,8,72.7983,12.19
17238,L_gulonolactone,bmse000235,9,72.2798,12.42
17239,L_gulonolactone,bmse000235,10,65.2205,2.74
17240,L_gulonolactone,bmse000235,11,64.1843,11.09
17241,glycogen,bmse000232,1,102.5103,8.96
17242,glycogen,bmse000232,2,79.5505,5.53
17243,glycogen,bmse000232,3,75.5834,9.32
17244,glycogen,bmse000232,4,74.2061,12.5
17245,glycogen,bmse000232,5,72.0454,4.53
17246,glycogen,bmse000232,6,63.2055,9.29
17247,melibiose,bmse000233,1,100.9084,5.19
17248,melibiose,bmse000233,2,100.8632,7.98
17249,melibiose,bmse000233,3,98.7735,7.66
17250,melibiose,bmse000233,4,94.8931,4.76
17251,melibiose,bmse000233,5,78.5818,7.97
17252,melibiose,bmse000233,6,77.0484,7.73
17253,melibiose,bmse000233,7,76.7428,7.76
17254,melibiose,bmse000233,8,75.6402,4.58
17255,melibiose,bmse000233,9,74.1149,4.63
17256,melibiose,bmse000233,10,73.6528,8.49
17257,melibiose,bmse000233,11,72.7893,4.29
17258,melibiose,bmse000233,12,72.267,4.52
17259,melibiose,bmse000233,13,72.1674,11.07
17260,melibiose,bmse000233,14,72.1167,8.55
17261,melibiose,bmse000233,15,71.8963,12.5
17262,melibiose,bmse000233,16,71.1803,5.19
17263,melibiose,bmse000233,17,71.1491,7.83
17264,melibiose,bmse000233,18,68.5995,3.44
17265,melibiose,bmse000233,19,68.5046,5.7
17266,melibiose,bmse000233,20,63.7983,7.42
17267,D_glucono_1_5_lactone,bmse000230,1,181.2312,2.98
17268,D_glucono_1_5_lactone,bmse000230,2,76.6877,12.5
17269,D_glucono_1_5_lactone,bmse000230,3,75.204,12.42
17270,D_glucono_1_5_lactone,bmse000230,4,73.8622,12.42
17271,D_glucono_1_5_lactone,bmse000230,5,73.6372,12.42
17272,D_glucono_1_5_lactone,bmse000230,6,65.3046,10.99
17273,N_acetyl_D_glucosamine,bmse000231,1,177.4899,2.8
17274,N_acetyl_D_glucosamine,bmse000231,2,177.2462,4.07
17275,N_acetyl_D_glucosamine,bmse000231,3,97.6343,8.26
17276,N_acetyl_D_glucosamine,bmse000231,4,93.5456,12.5
17277,N_acetyl_D_glucosamine,bmse000231,5,78.6606,9.02
17278,N_acetyl_D_glucosamine,bmse000231,6,76.5921,8.56
17279,N_acetyl_D_glucosamine,bmse000231,7,74.2719,12.4
17280,N_acetyl_D_glucosamine,bmse000231,8,73.3628,12.21
17281,N_acetyl_D_glucosamine,bmse000231,9,72.7507,12.34
17282,N_acetyl_D_glucosamine,bmse000231,10,72.5242,8.84
17283,N_acetyl_D_glucosamine,bmse000231,11,63.4249,7.22
17284,N_acetyl_D_glucosamine,bmse000231,12,63.2564,10.49
17285,N_acetyl_D_glucosamine,bmse000231,13,59.3824,8.25
17286,N_acetyl_D_glucosamine,bmse000231,14,56.8002,11.86
17287,N_acetyl_D_glucosamine,bmse000231,15,24.8865,6.38
17288,N_acetyl_D_glucosamine,bmse000231,16,24.609,9.19
17289,polygalacturonic_acid,bmse000228,1,178.1914,12.5
17290,polygalacturonic_acid,bmse000228,2,101.6522,9.97
17291,polygalacturonic_acid,bmse000228,3,80.5569,9.65
17292,polygalacturonic_acid,bmse000228,4,73.9772,8.45
17293,polygalacturonic_acid,bmse000228,5,71.4996,8.28
17294,polygalacturonic_acid,bmse000228,6,70.7598,8.29
17295,polygalacturonic_acid,bmse000228,7,26.4074,3.65
17296,D_saccharate,bmse000239,1,181.3679,2.13
17297,D_saccharate,bmse000239,2,181.237,1.95
17298,D_saccharate,bmse000239,3,76.4264,11.96
17299,D_saccharate,bmse000239,4,76.4165,12.5
17300,D_saccharate,bmse000239,5,76.2846,9.51
17301,D_saccharate,bmse000239,6,74.3621,9.95
17302,stachyose,bmse000240,1,106.5168,12.21
17303,stachyose,bmse000240,2,101.06,8.92
17304,stachyose,bmse000240,3,100.7169,10.76
17305,stachyose,bmse000240,4,94.8219,8.89
17306,stachyose,bmse000240,5,84.0524,9.16
17307,stachyose,bmse000240,6,78.9976,9.04
17308,stachyose,bmse000240,7,76.6795,9.2
17309,stachyose,bmse000240,8,75.4111,9
17310,stachyose,bmse000240,9,73.9757,8.23
17311,stachyose,bmse000240,10,73.7006,10.47
17312,stachyose,bmse000240,11,73.6476,9.63
17313,stachyose,bmse000240,12,72.1972,12.5
17314,stachyose,bmse000240,13,72.173,10.25
17315,stachyose,bmse000240,14,72.0684,10.06
17316,stachyose,bmse000240,15,72.0362,10.92
17317,stachyose,bmse000240,16,71.9303,12.49
17318,stachyose,bmse000240,17,71.5019,8.73
17319,stachyose,bmse000240,18,71.1393,9.07
17320,stachyose,bmse000240,19,70.9835,10.63
17321,stachyose,bmse000240,20,69.1734,6.48
17322,stachyose,bmse000240,21,68.5201,5.87
17323,stachyose,bmse000240,22,65.1886,8.65
17324,stachyose,bmse000240,23,64.0756,7.23
17325,stachyose,bmse000240,24,63.8499,10.36
17326,L_tartaric_acid,bmse000167,1,181.2992,12.5
17327,D_xylonate_cadmium,bmse000166,1,181.2863,3.14
17328,D_xylonate_cadmium,bmse000166,2,75.334,10.18
17329,D_xylonate_cadmium,bmse000166,3,75.0844,12.5
17330,D_xylonate_cadmium,bmse000166,4,65.059,9.59
17331,N_acetyl_D_glucosamine_1_phosphate,bmse000163,1,177.4252,6.68
17332,N_acetyl_D_glucosamine_1_phosphate,bmse000163,2,95.4941,6.42
17333,N_acetyl_D_glucosamine_1_phosphate,bmse000163,3,95.4396,6.74
17334,N_acetyl_D_glucosamine_1_phosphate,bmse000163,4,74.801,12.35
17335,N_acetyl_D_glucosamine_1_phosphate,bmse000163,5,74.139,11.43
17336,N_acetyl_D_glucosamine_1_phosphate,bmse000163,6,72.7232,12.5
17337,N_acetyl_D_glucosamine_1_phosphate,bmse000163,7,63.4049,10.26
17338,N_acetyl_D_glucosamine_1_phosphate,bmse000163,8,60.1376,1.31
17339,N_acetyl_D_glucosamine_1_phosphate,bmse000163,9,56.8998,5.8
17340,N_acetyl_D_glucosamine_1_phosphate,bmse000163,10,56.8264,6.12
17341,N_acetyl_D_glucosamine_1_phosphate,bmse000163,11,24.8578,11.78
17342,N_acetyl_D_glucosamine_1_phosphate,bmse000163,12,19.5062,1.22
17343,L_ornithine,bmse000162,1,177.052,2.52
17344,L_ornithine,bmse000162,2,56.8032,12.42
17345,L_ornithine,bmse000162,3,41.5581,10.67
17346,L_ornithine,bmse000162,4,30.183,12.5
17347,L_ornithine,bmse000162,5,25.4674,10.78
17348,D_alanine,bmse000236,1,178.5839,1.59
17349,D_alanine,bmse000236,2,53.2011,9.79
17350,D_alanine,bmse000236,3,18.8519,12.5
17351,4_nitrophenol,bmse000223,1,130.0111,12.5
17352,4_nitrophenol,bmse000223,2,129.9947,12.29
17353,4_nitrophenol,bmse000223,3,120.3011,8.51
17354,4_nitrophenol,bmse000223,4,120.2591,10.79
17355,D_L_glyceraldehyde,bmse000225,1,92.4597,11.03
17356,D_L_glyceraldehyde,bmse000225,2,76.7639,11.48
17357,D_L_glyceraldehyde,bmse000225,3,64.6759,12.5
17358,4_hydroxycinnamic_acid,bmse000150,1,178.908,1.38
17359,4_hydroxycinnamic_acid,bmse000150,2,159.818,1.85
17360,4_hydroxycinnamic_acid,bmse000150,3,143.5246,4.55
17361,4_hydroxycinnamic_acid,bmse000150,4,132.2994,11.74
17362,4_hydroxycinnamic_acid,bmse000150,5,130.1932,2.25
17363,4_hydroxycinnamic_acid,bmse000150,6,124.1229,4.91
17364,4_hydroxycinnamic_acid,bmse000150,7,118.5321,12.5
17365,alpha_D_galactose_1_phosphate,bmse000151,1,96.62,5.96
17366,alpha_D_galactose_1_phosphate,bmse000151,2,96.566,5.93
17367,alpha_D_galactose_1_phosphate,bmse000151,3,73.8281,11.4
17368,alpha_D_galactose_1_phosphate,bmse000151,4,72.304,10.42
17369,alpha_D_galactose_1_phosphate,bmse000151,5,72.1558,12.5
17370,alpha_D_galactose_1_phosphate,bmse000151,6,71.7402,5.87
17371,alpha_D_galactose_1_phosphate,bmse000151,7,71.6737,5.84
17372,alpha_D_galactose_1_phosphate,bmse000151,8,64.0705,10.09
17373,dAMP,bmse000250,1,155.0627,3.71
17374,dAMP,bmse000250,2,142.9366,3.42
17375,dAMP,bmse000250,3,90.1821,11.54
17376,dAMP,bmse000250,4,87.3797,7.1
17377,dAMP,bmse000250,5,74.0139,10.26
17378,dAMP,bmse000250,6,64.4148,12.5
17379,dAMP,bmse000250,7,41.7694,7.82
17380,Oxalosuccinate,bmse000251,1,184.1371,2.15
17381,Oxalosuccinate,bmse000251,2,172.7664,1.95
17382,Oxalosuccinate,bmse000251,3,52.8383,1.48
17383,Oxalosuccinate,bmse000251,4,38.5758,5.93
17384,Oxalosuccinate,bmse000251,5,38.454,1.48
17385,Oxalosuccinate,bmse000251,6,38.2644,1.54
17386,Oxalosuccinate,bmse000251,7,38.0683,1.39
17387,Oxalosuccinate,bmse000251,8,36.9355,3.83
17388,Oxalosuccinate,bmse000251,9,35.3007,1.19
17389,Oxalosuccinate,bmse000251,10,34.9692,1.16
17390,Oxalosuccinate,bmse000251,11,33.3147,5.48
17391,Oxalosuccinate,bmse000251,12,33.2611,6.95
17392,Oxalosuccinate,bmse000251,13,33.2048,12.5
17393,Oxalosuccinate,bmse000251,14,25.9719,1.99
17394,Salicylate,bmse000252,1,178.336,1.8
17395,Salicylate,bmse000252,2,162.3095,1.9
17396,Salicylate,bmse000252,3,136.7054,12.5
17397,Salicylate,bmse000252,4,133.2002,11.8
17398,Salicylate,bmse000252,5,122.0978,11.69
17399,Salicylate,bmse000252,6,120.713,2.32
17400,Salicylate,bmse000252,7,119.007,12.31
17401,dADP,bmse000253,1,158.1421,4.9
17402,dADP,bmse000253,2,155.3005,9.18
17403,dADP,bmse000253,3,151.2181,2.23
17404,dADP,bmse000253,4,142.6258,3.6
17405,dADP,bmse000253,5,121.1832,1.88
17406,dADP,bmse000253,6,88.4189,5.03
17407,dADP,bmse000253,7,88.3329,5.02
17408,dADP,bmse000253,8,86.1412,10.03
17409,dADP,bmse000253,9,73.3197,12.5
17410,dADP,bmse000253,10,67.3652,4.1
17411,dADP,bmse000253,11,67.3129,3.98
17412,dADP,bmse000253,12,41.5514,9.81
17413,D_Fructose_1_phosphate,bmse000254,1,100.8301,3.74
17414,D_Fructose_1_phosphate,bmse000254,2,100.7578,3.97
17415,D_Fructose_1_phosphate,bmse000254,3,83.1443,1.21
17416,D_Fructose_1_phosphate,bmse000254,4,78.79,1.8
17417,D_Fructose_1_phosphate,bmse000254,5,76.8304,1.21
17418,D_Fructose_1_phosphate,bmse000254,6,72.0493,12.5
17419,D_Fructose_1_phosphate,bmse000254,7,71.8351,11.69
17420,D_Fructose_1_phosphate,bmse000254,8,70.5098,12.35
17421,D_Fructose_1_phosphate,bmse000254,9,68.9967,5.19
17422,D_Fructose_1_phosphate,bmse000254,10,68.9492,5.25
17423,D_Fructose_1_phosphate,bmse000254,11,66.0887,9.73
17424,D_Fructose_1_phosphate,bmse000254,12,64.969,2.12
17425,D_Fructose_1_phosphate,bmse000254,13,64.1264,1.29
17426,ITP,bmse000255,1,161.4399,4.25
17427,ITP,bmse000255,2,151.5943,2.62
17428,ITP,bmse000255,3,149.0201,9.65
17429,ITP,bmse000255,4,142.5226,5.74
17430,ITP,bmse000255,5,126.3562,2.24
17431,ITP,bmse000255,6,90.276,1.56
17432,ITP,bmse000255,7,89.9312,10.81
17433,ITP,bmse000255,8,86.8306,5.65
17434,ITP,bmse000255,9,86.7415,5.81
17435,ITP,bmse000255,10,77.2254,2.18
17436,ITP,bmse000255,11,77.1273,12.5
17437,ITP,bmse000255,12,72.8596,11.68
17438,ITP,bmse000255,13,72.5243,2.14
17439,ITP,bmse000255,14,67.7479,4.35
17440,ITP,bmse000255,15,67.695,4.23
17441,Formaldehyde,bmse000256,1,84.4358,12.5
17442,FMN,bmse000257,1,163.2526,6.78
17443,FMN,bmse000257,2,160.3175,7.33
17444,FMN,bmse000257,3,153.429,6.6
17445,FMN,bmse000257,4,152.3129,4.11
17446,FMN,bmse000257,5,142.1584,7.18
17447,FMN,bmse000257,6,136.6282,6.86
17448,FMN,bmse000257,7,136.1877,6.82
17449,FMN,bmse000257,8,134.1083,4
17450,FMN,bmse000257,9,132.8224,4.98
17451,FMN,bmse000257,10,119.7064,4.78
17452,FMN,bmse000257,11,75.2209,6.14
17453,FMN,bmse000257,12,74.4868,3.9
17454,FMN,bmse000257,13,74.4237,3.92
17455,FMN,bmse000257,14,72.0087,6.36
17456,FMN,bmse000257,15,67.8012,3.52
17457,FMN,bmse000257,16,50.1474,2.93
17458,FMN,bmse000257,17,23.466,11.62
17459,FMN,bmse000257,18,21.3437,12.5
17460,Glycolaldehyde,bmse000258,1,92.374,9.81
17461,Glycolaldehyde,bmse000258,2,67.1623,12.5
17462,4_Hydroxybenzaldehyde,bmse000259,1,197.0798,3.76
17463,4_Hydroxybenzaldehyde,bmse000259,2,136.1538,9.71
17464,4_Hydroxybenzaldehyde,bmse000259,3,129.545,1.03
17465,4_Hydroxybenzaldehyde,bmse000259,4,119.8609,12.5
17466,Nicotinamide_D_ribonucleotide,bmse000260,1,175.8236,3.35
17467,Nicotinamide_D_ribonucleotide,bmse000260,2,141.0654,10.52
17468,Nicotinamide_D_ribonucleotide,bmse000260,3,127.6138,9.12
17469,Nicotinamide_D_ribonucleotide,bmse000260,4,108.182,10.66
17470,Nicotinamide_D_ribonucleotide,bmse000260,5,103.4044,6.52
17471,Nicotinamide_D_ribonucleotide,bmse000260,6,103.1839,1.61
17472,Nicotinamide_D_ribonucleotide,bmse000260,7,97.6396,11.48
17473,Nicotinamide_D_ribonucleotide,bmse000260,8,85.9422,6.34
17474,Nicotinamide_D_ribonucleotide,bmse000260,9,85.8555,6.04
17475,Nicotinamide_D_ribonucleotide,bmse000260,10,80.4925,1.81
17476,Nicotinamide_D_ribonucleotide,bmse000260,11,74.2063,1.79
17477,Nicotinamide_D_ribonucleotide,bmse000260,12,73.4952,12.5
17478,Nicotinamide_D_ribonucleotide,bmse000260,13,73.3372,12.21
17479,Nicotinamide_D_ribonucleotide,bmse000260,14,66.7617,5.06
17480,Nicotinamide_D_ribonucleotide,bmse000260,15,66.7167,4.78
17481,Nicotinamide_D_ribonucleotide,bmse000260,16,24.6964,9.6
17482,Acetyl_phosphate,bmse000261,1,175.0096,3.44
17483,Acetyl_phosphate,bmse000261,2,25.9801,10.24
17484,Acetyl_phosphate,bmse000261,3,24.7883,12.5
17485,Acetyl_phosphate,bmse000261,4,24.7425,11.1
17486,3_4_Hydroxyphenyl_pyruvate,bmse000262,1,157.3242,1.3
17487,3_4_Hydroxyphenyl_pyruvate,bmse000262,2,133.865,7.91
17488,3_4_Hydroxyphenyl_pyruvate,bmse000262,3,118.3826,12.5
17489,3_4_Hydroxyphenyl_pyruvate,bmse000262,4,117.7478,1.45
17490,NADP,bmse000263,1,167.8496,4.47
17493,NADP,bmse000263,4,151.6757,5.76
17494,NADP,bmse000263,5,148.3745,7.75
17495,NADP,bmse000263,6,145.0167,6.29
17496,NADP,bmse000263,7,142.8886,8.29
17497,NADP,bmse000263,8,142.5477,5.92
17498,NADP,bmse000263,9,136.304,8.28
17499,NADP,bmse000263,10,131.3453,8.51
17500,NADP,bmse000263,11,121.1612,3.82
17501,NADP,bmse000263,12,102.729,11.11
17502,NADP,bmse000263,13,89.8221,5.86
17503,NADP,bmse000263,14,89.7336,5.64
17504,NADP,bmse000263,15,89.2538,5.26
17505,NADP,bmse000263,16,89.1719,5.28
17506,NADP,bmse000263,17,85.7472,5.48
17507,NADP,bmse000263,18,85.6577,5.52
17508,NADP,bmse000263,19,80.3221,12.5
17509,NADP,bmse000263,20,78.7636,5.55
17510,NADP,bmse000263,21,78.722,5.71
17511,NADP,bmse000263,22,73.3731,12.23
17512,NADP,bmse000263,23,72.7335,7.06
17513,NADP,bmse000263,24,68.2193,4.11
17514,NADP,bmse000263,25,67.6754,4.43
17515,NADP,bmse000263,26,57.0544,1.98
17516,4_Nitrophenyl_phosphate,bmse000264,1,163.0405,1.08
17517,4_Nitrophenyl_phosphate,bmse000264,2,144.5179,1.04
17518,4_Nitrophenyl_phosphate,bmse000264,3,128.4131,12.5
17519,4_Nitrophenyl_phosphate,bmse000264,4,122.6671,7.06
17520,4_Nitrophenyl_phosphate,bmse000264,5,122.6148,7.04
17521,4_Nitrocatechol,bmse000265,1,164.1278,1.69
17522,4_Nitrocatechol,bmse000265,2,148.5107,2.32
17523,4_Nitrocatechol,bmse000265,3,138.4594,1.3
17524,4_Nitrocatechol,bmse000265,4,122.9045,11.12
17525,4_Nitrocatechol,bmse000265,5,118.6529,12.08
17526,4_Nitrocatechol,bmse000265,6,112.45,12.5
17527,UDP,bmse000266,1,169.0888,5
17528,UDP,bmse000266,2,154.545,3.74
17529,UDP,bmse000266,3,144.5243,8.52
17530,UDP,bmse000266,4,105.234,10.35
17531,UDP,bmse000266,5,91.4445,11.2
17532,UDP,bmse000266,6,85.9024,5.62
17533,UDP,bmse000266,7,85.8136,5.66
17534,UDP,bmse000266,8,76.5959,12.5
17535,UDP,bmse000266,9,71.8259,11.92
17536,UDP,bmse000266,10,66.8315,4.4
17537,UDP,bmse000266,11,66.7792,4.54
17538,Formamide,bmse000267,1,169.4492,12.5
17539,R_Lactate,bmse000269,1,185.265,2.92
17540,R_Lactate,bmse000269,2,71.1978,10.49
17541,R_Lactate,bmse000269,3,22.7641,12.5
17542,GDP,bmse000270,1,161.6068,4.89
17543,GDP,bmse000270,2,156.6326,5.27
17544,GDP,bmse000270,3,154.1538,4.67
17545,GDP,bmse000270,4,140.2801,1.14
17546,GDP,bmse000270,5,140.1096,6.84
17547,GDP,bmse000270,6,118.7579,3.69
17548,GDP,bmse000270,7,89.8065,11.14
17549,GDP,bmse000270,8,86.2198,5.66
17550,GDP,bmse000270,9,86.132,5.77
17551,GDP,bmse000270,10,76.7534,12.5
17552,GDP,bmse000270,11,72.5131,12.28
17553,GDP,bmse000270,12,67.1729,4.45
17554,GDP,bmse000270,13,67.1215,4.26
17555,CoA,bmse000271,1,177.6817,2.7
17556,CoA,bmse000271,2,177.4294,8.2
17557,CoA,bmse000271,3,176.8233,2.08
17558,CoA,bmse000271,4,176.7106,6.6
17559,CoA,bmse000271,5,158.389,5.21
17560,CoA,bmse000271,6,155.6654,8.04
17561,CoA,bmse000271,7,155.5753,5.97
17562,CoA,bmse000271,8,152.1398,5.55
17563,CoA,bmse000271,9,152.0219,2.76
17564,CoA,bmse000271,10,142.9347,4.88
17565,CoA,bmse000271,11,142.6212,6.68
17566,CoA,bmse000271,12,121.3186,3.76
17567,CoA,bmse000271,13,89.3885,6.08
17568,CoA,bmse000271,14,89.1901,9.09
17569,CoA,bmse000271,15,87.3585,1.54
17570,CoA,bmse000271,16,87.3087,1.85
17571,CoA,bmse000271,17,87.2237,1.74
17572,CoA,bmse000271,18,86.8498,2.3
17573,CoA,bmse000271,19,86.7595,2.57
17574,CoA,bmse000271,20,85.3884,1.1
17575,CoA,bmse000271,21,79.6453,1.28
17576,CoA,bmse000271,22,79.1396,1.19
17577,CoA,bmse000271,23,78.2226,1.22
17578,CoA,bmse000271,24,77.5422,4.25
17579,CoA,bmse000271,25,77.2177,3.82
17580,CoA,bmse000271,26,77.1851,3.69
17581,CoA,bmse000271,27,76.9949,5.4
17582,CoA,bmse000271,28,76.9604,4.74
17583,CoA,bmse000271,29,76.7805,9.52
17584,CoA,bmse000271,30,76.4673,4.19
17585,CoA,bmse000271,31,76.4236,8.22
17586,CoA,bmse000271,32,76.3796,5.46
17587,CoA,bmse000271,33,74.5542,4.24
17588,CoA,bmse000271,34,74.4922,3.65
17589,CoA,bmse000271,35,73.328,2.2
17590,CoA,bmse000271,36,73.2765,1.86
17591,CoA,bmse000271,37,68.4744,3.83
17592,CoA,bmse000271,38,68.4222,3.88
17593,CoA,bmse000271,39,66.6691,2.47
17594,CoA,bmse000271,40,66.6238,2.86
17595,CoA,bmse000271,41,45.0428,4.93
17596,CoA,bmse000271,42,44.9976,11.76
17597,CoA,bmse000271,43,44.9048,1.18
17598,CoA,bmse000271,44,41.1259,2.81
17599,CoA,bmse000271,45,41.0359,6.14
17600,CoA,bmse000271,46,40.9558,6.01
17601,CoA,bmse000271,47,40.7593,1.76
17602,CoA,bmse000271,48,39.1263,1.74
17603,CoA,bmse000271,49,38.2973,1.72
17604,CoA,bmse000271,50,38.1621,9.87
17605,CoA,bmse000271,51,38.0817,9.25
17606,CoA,bmse000271,52,25.7997,12.5
17607,CoA,bmse000271,53,24.0869,1.45
17608,CoA,bmse000271,54,23.9984,3.96
17609,CoA,bmse000271,55,23.5128,8.93
17610,CoA,bmse000271,56,22.6789,1.36
17611,CoA,bmse000271,57,20.9419,3.81
17612,CoA,bmse000271,58,20.7819,9.63
17613,CoA,bmse000271,59,20.1012,1.78
17614,CDP,bmse000272,1,168.8761,4.9
17615,CDP,bmse000272,2,160.4002,4.39
17616,CDP,bmse000272,3,144.5698,1.09
17617,CDP,bmse000272,4,144.266,8.55
17618,CDP,bmse000272,5,99.3648,1.46
17619,CDP,bmse000272,6,99.2242,9.38
17620,CDP,bmse000272,7,92.2295,11.24
17621,CDP,bmse000272,8,91.8456,1.72
17622,CDP,bmse000272,9,85.3396,5.74
17623,CDP,bmse000272,10,85.2502,5.69
17624,CDP,bmse000272,11,77.0076,12.5
17625,CDP,bmse000272,12,72.3706,1.47
17626,CDP,bmse000272,13,71.4858,12.07
17627,CDP,bmse000272,14,66.6366,4.51
17628,CDP,bmse000272,15,66.5841,4.41
17629,D_Aspartate,bmse000273,1,180.3052,2.2
17630,D_Aspartate,bmse000273,2,177.0122,1.98
17631,D_Aspartate,bmse000273,3,54.9072,9.91
17632,D_Aspartate,bmse000273,4,39.2644,12.5
17633,Thiamin,bmse000274,1,171.726,5.58
17634,Thiamin,bmse000274,2,164.5163,3.11
17635,Thiamin,bmse000274,3,159.8969,10.99
17636,Thiamin,bmse000274,4,145.552,3.59
17637,Thiamin,bmse000274,5,138.7379,4.97
17638,Thiamin,bmse000274,6,107.1899,6.29
17639,Thiamin,bmse000274,7,63.1255,12.5
17640,Thiamin,bmse000274,8,53.7574,10.69
17641,Thiamin,bmse000274,9,31.9248,12.41
17642,Thiamin,bmse000274,10,26.7632,11.25
17643,Thiamin,bmse000274,11,13.8517,12.02
17644,D_Fructose_2_6_bisphosphate,bmse000275,1,106.8714,4.79
17645,D_Fructose_2_6_bisphosphate,bmse000275,2,106.8017,4.74
17646,D_Fructose_2_6_bisphosphate,bmse000275,3,82.9825,6.41
17647,D_Fructose_2_6_bisphosphate,bmse000275,4,82.912,6.28
17648,D_Fructose_2_6_bisphosphate,bmse000275,5,80.0513,6.58
17649,D_Fructose_2_6_bisphosphate,bmse000275,6,80.0052,6.39
17650,D_Fructose_2_6_bisphosphate,bmse000275,7,78.0543,12.5
17651,D_Fructose_2_6_bisphosphate,bmse000275,8,68.3553,5.53
17652,D_Fructose_2_6_bisphosphate,bmse000275,9,68.3079,5.71
17653,D_Fructose_2_6_bisphosphate,bmse000275,10,65.2002,7.1
17654,D_Fructose_2_6_bisphosphate,bmse000275,11,60.1397,1.11
17655,D_Fructose_2_6_bisphosphate,bmse000275,12,19.51,1.19
17656,Ethanolamine,bmse000276,1,60.3171,12.5
17657,Ethanolamine,bmse000276,2,43.9507,8.05
17658,CTP,bmse000277,1,168.8983,5.15
17659,CTP,bmse000277,2,160.5208,4.42
17660,CTP,bmse000277,3,144.2311,8.6
17661,CTP,bmse000277,4,99.3524,9.52
17662,CTP,bmse000277,5,91.8085,11.04
17663,CTP,bmse000277,6,85.501,5.68
17664,CTP,bmse000277,7,85.4107,5.57
17665,CTP,bmse000277,8,77.0203,1.35
17666,CTP,bmse000277,9,76.8989,12.5
17667,CTP,bmse000277,10,71.7933,11.89
17668,CTP,bmse000277,11,71.4631,1.06
17669,CTP,bmse000277,12,67.272,4.2
17670,CTP,bmse000277,13,67.2177,4.39
17671,D_Ribulose_5_phosphate,bmse000278,1,103.8241,7.82
17672,D_Ribulose_5_phosphate,bmse000278,2,98.9771,2.24
17673,D_Ribulose_5_phosphate,bmse000278,3,85.3023,1.6
17674,D_Ribulose_5_phosphate,bmse000278,4,84.6704,3.81
17675,D_Ribulose_5_phosphate,bmse000278,5,84.5875,4.13
17676,D_Ribulose_5_phosphate,bmse000278,6,78.03,9.99
17677,D_Ribulose_5_phosphate,bmse000278,7,73.4112,12.5
17678,D_Ribulose_5_phosphate,bmse000278,8,72.931,3.83
17679,D_Ribulose_5_phosphate,bmse000278,9,67.3547,5.39
17680,D_Ribulose_5_phosphate,bmse000278,10,67.3093,5.5
17681,D_Ribulose_5_phosphate,bmse000278,11,66.4813,2.3
17682,Urocanate,bmse000279,1,178.6198,2.5
17683,Urocanate,bmse000279,2,140.3626,11.29
17684,Urocanate,bmse000279,3,137.0776,2.14
17685,Urocanate,bmse000279,4,133.668,10.36
17686,Urocanate,bmse000279,5,124.4849,12.5
17687,Urocanate,bmse000279,6,123.9802,8.38
17688,UMP,bmse000280,1,169.0839,4.57
17689,UMP,bmse000280,2,154.6578,3.41
17690,UMP,bmse000280,3,144.8275,8.54
17691,UMP,bmse000280,4,105.3924,10.43
17692,UMP,bmse000280,5,91.006,11.31
17693,UMP,bmse000280,6,86.9204,5.97
17694,UMP,bmse000280,7,86.8326,6.05
17695,UMP,bmse000280,8,76.6643,12.5
17696,UMP,bmse000280,9,72.7729,12.16
17697,UMP,bmse000280,10,65.9126,4.79
17698,UMP,bmse000280,11,65.8681,4.9
17699,Nicotinamide,bmse000281,1,154.5266,12.5
17700,Nicotinamide,bmse000281,2,150.344,11.49
17701,Nicotinamide,bmse000281,3,139.1539,11.48
17702,Nicotinamide,bmse000281,4,131.9398,1.76
17703,Nicotinamide,bmse000281,5,126.9235,10.76
17704,DL_Alanine,bmse000282,1,178.5738,1.77
17705,DL_Alanine,bmse000282,2,53.2017,9.6
17706,DL_Alanine,bmse000282,3,18.85,12.5
17707,Orotate,bmse000283,1,104.064,12.5
17708,Benzonitrile,bmse000284,1,136.2019,8.6
17709,Benzonitrile,bmse000284,2,135.1116,12.5
17710,Benzonitrile,bmse000284,3,131.8912,12.48
17711,Choline,bmse000285,1,70.1479,3.39
17712,Choline,bmse000285,2,70.1177,3.59
17713,Choline,bmse000285,3,70.0875,3.34
17714,Choline,bmse000285,4,58.3089,8.06
17715,Choline,bmse000285,5,56.621,11.8
17716,Choline,bmse000285,6,56.5813,12.5
17717,Choline,bmse000285,7,56.542,12.01
17718,Acetophenone,bmse000286,1,136.8469,7.17
17719,Acetophenone,bmse000286,2,131.5104,12.5
17720,Acetophenone,bmse000286,3,131.2516,11.84
17721,Acetophenone,bmse000286,4,28.9711,3.47
17722,Pantothenate,bmse000287,1,183.0208,3.24
17723,Pantothenate,bmse000287,2,177.6531,4.02
17724,Pantothenate,bmse000287,3,78.4586,12.5
17725,Pantothenate,bmse000287,4,71.0985,10.81
17726,Pantothenate,bmse000287,5,41.2778,8.26
17727,Pantothenate,bmse000287,6,39.3779,10.45
17728,Pantothenate,bmse000287,7,38.8533,9.94
17729,Pantothenate,bmse000287,8,23.2349,9.96
17730,Pantothenate,bmse000287,9,21.8424,10.1
17731,Pyridoxine,bmse000288,1,163.4259,2.28
17732,Pyridoxine,bmse000288,2,146.9983,3.52
17733,Pyridoxine,bmse000288,3,141.4468,3.78
17734,Pyridoxine,bmse000288,4,138.1842,4.52
17735,Pyridoxine,bmse000288,5,127.4073,3.84
17736,Pyridoxine,bmse000288,6,61.4656,12.5
17737,Pyridoxine,bmse000288,7,58.6687,10.33
17738,Pyridoxine,bmse000288,8,18.2013,8.23
17739,S_Adenosyl_L_homocysteine,bmse000289,1,176.8876,4.61
17740,S_Adenosyl_L_homocysteine,bmse000289,2,158.3878,3.44
17741,S_Adenosyl_L_homocysteine,bmse000289,3,155.6615,9.39
17742,S_Adenosyl_L_homocysteine,bmse000289,4,151.6956,3.2
17743,S_Adenosyl_L_homocysteine,bmse000289,5,142.814,7.91
17744,S_Adenosyl_L_homocysteine,bmse000289,6,121.5644,2.04
17745,S_Adenosyl_L_homocysteine,bmse000289,7,90.125,10.63
17746,S_Adenosyl_L_homocysteine,bmse000289,8,90.0104,2.04
17747,S_Adenosyl_L_homocysteine,bmse000289,9,86.1029,11.9
17748,S_Adenosyl_L_homocysteine,bmse000289,10,75.9715,11.38
17749,S_Adenosyl_L_homocysteine,bmse000289,11,75.0004,12.5
17750,S_Adenosyl_L_homocysteine,bmse000289,12,56.4364,10.43
17751,S_Adenosyl_L_homocysteine,bmse000289,13,36.2065,8.4
17752,S_Adenosyl_L_homocysteine,bmse000289,14,33.1203,8.91
17753,S_Adenosyl_L_homocysteine,bmse000289,15,30.4627,9.14
17754,Phenol,bmse000290,1,132.703,11.87
17755,Phenol,bmse000290,2,123.3534,6.56
17756,Phenol,bmse000290,3,118.0886,12.5
17757,Selenomethionine,bmse000291,1,176.8764,2.7
17758,Selenomethionine,bmse000291,2,57.3265,11.71
17759,Selenomethionine,bmse000291,3,33.5106,11.73
17760,Selenomethionine,bmse000291,4,21.8408,12.5
17761,Selenomethionine,bmse000291,5,5.875,6.96
17762,UDPglucuronate,bmse000292,1,179.1513,4.63
17763,UDPglucuronate,bmse000292,2,169.0242,5.14
17764,UDPglucuronate,bmse000292,3,154.6097,3.93
17765,UDPglucuronate,bmse000292,4,144.2873,8.42
17766,UDPglucuronate,bmse000292,5,105.4108,10.1
17767,UDPglucuronate,bmse000292,6,98.1166,5.83
17768,UDPglucuronate,bmse000292,7,98.0506,5.78
17769,UDPglucuronate,bmse000292,8,91.0126,10.69
17770,UDPglucuronate,bmse000292,9,86.0368,5.52
17771,UDPglucuronate,bmse000292,10,85.9455,5.68
17772,UDPglucuronate,bmse000292,11,76.498,12.5
17773,UDPglucuronate,bmse000292,12,75.7603,10.99
17774,UDPglucuronate,bmse000292,13,75.2986,10.18
17775,UDPglucuronate,bmse000292,14,74.5675,11.19
17776,UDPglucuronate,bmse000292,15,74.1227,5.66
17777,UDPglucuronate,bmse000292,16,74.0395,5.54
17778,UDPglucuronate,bmse000292,17,72.367,11.96
17779,UDPglucuronate,bmse000292,18,67.7081,4.35
17780,UDPglucuronate,bmse000292,19,67.6532,4.54
17781,UDPglucuronate,bmse000292,20,60.142,1.01
17782,UDPglucuronate,bmse000292,21,19.5053,1.3
17783,Hydroquinone,bmse000293,1,151.6552,1.09
17784,Hydroquinone,bmse000293,2,119.0705,12.5
17785,Methanol,bmse000294,1,51.571,12.5
17786,Methanol,bmse000294,2,8.3835,1.29
17787,UTP,bmse000295,1,169.0527,4.84
17788,UTP,bmse000295,2,154.6305,3.56
17789,UTP,bmse000295,3,144.4685,8.62
17790,UTP,bmse000295,4,105.3558,9.9
17791,UTP,bmse000295,5,90.9803,10.91
17792,UTP,bmse000295,6,86.0794,5.45
17793,UTP,bmse000295,7,85.9897,5.66
17794,UTP,bmse000295,8,76.4645,12.5
17795,UTP,bmse000295,9,72.1667,11.59
17796,UTP,bmse000295,10,67.5196,4.26
17797,UTP,bmse000295,11,67.4644,4.32
17798,UTP,bmse000295,12,60.1427,1.1
17799,dTMP,bmse000296,1,169.2356,1.23
17800,dTMP,bmse000296,2,160.5265,1.29
17801,dTMP,bmse000296,3,154.4333,1.31
17802,dTMP,bmse000296,4,140.1216,3.35
17803,dTMP,bmse000296,5,114.2982,2.37
17804,dTMP,bmse000296,6,88.3382,2.04
17805,dTMP,bmse000296,7,88.2519,1.87
17806,dTMP,bmse000296,8,87.8416,3.66
17807,dTMP,bmse000296,9,73.7576,4.03
17808,dTMP,bmse000296,10,69.7071,3.43
17809,dTMP,bmse000296,11,69.6331,3.39
17810,dTMP,bmse000296,12,68.674,6.88
17811,dTMP,bmse000296,13,67.0077,1.54
17812,dTMP,bmse000296,14,66.9519,1.6
17813,dTMP,bmse000296,15,57.1741,5.62
17814,dTMP,bmse000296,16,50.7174,6.42
17815,dTMP,bmse000296,17,47.4494,6.5
17816,dTMP,bmse000296,18,41.3959,3.4
17817,dTMP,bmse000296,19,35.6124,12.5
17818,dTMP,bmse000296,20,27.378,11.97
17819,dTMP,bmse000296,21,27.3297,7.39
17820,dTMP,bmse000296,22,14.3887,4.03
17821,Ethanol,bmse000297,1,60.1347,10.57
17822,Ethanol,bmse000297,2,19.4922,12.5
17823,D_Glyceraldehyde,bmse000298,1,92.4619,11.47
17824,D_Glyceraldehyde,bmse000298,2,76.7643,11.97
17825,D_Glyceraldehyde,bmse000298,3,67.5383,2.02
17826,D_Glyceraldehyde,bmse000298,4,64.6757,12.5
17827,Folate,bmse000299,1,185.1947,10.02
17828,Folate,bmse000299,2,182.1813,8.33
17829,Folate,bmse000299,3,171.6618,6.23
17830,Folate,bmse000299,4,167.4706,1.1
17831,Folate,bmse000299,5,156.8561,3.58
17832,Folate,bmse000299,6,154.9662,1.2
17833,Folate,bmse000299,7,152.4534,5.63
17834,Folate,bmse000299,8,150.9644,2.57
17835,Folate,bmse000299,9,150.4027,4.37
17836,Folate,bmse000299,10,131.6987,1.03
17837,Folate,bmse000299,11,131.3015,7.38
17838,Folate,bmse000299,12,129.0129,4.84
17839,Folate,bmse000299,13,123.0856,5.17
17840,Folate,bmse000299,14,113.9108,6.41
17841,Folate,bmse000299,15,58.6333,8.76
17842,Folate,bmse000299,16,47.4239,2.98
17843,Folate,bmse000299,17,37.0651,12.5
17844,Folate,bmse000299,18,31.1742,7.87
17845,Benzoate,bmse000300,1,138.9121,1.04
17846,Benzoate,bmse000300,2,133.9731,7.03
17847,Benzoate,bmse000300,3,131.4957,12.46
17848,Benzoate,bmse000300,4,131.0181,12.5
17849,1_3_diaminopropane,bmse000001,1,39.3182,12.5
17850,1_3_diaminopropane,bmse000001,2,27.6038,6.62
17851,2_3_diphospho_D_glyceric_acid,bmse000002,1,180.6244,6.14
17852,2_3_diphospho_D_glyceric_acid,bmse000002,2,77.8926,9.81
17853,2_3_diphospho_D_glyceric_acid,bmse000002,3,77.8397,8.95
17854,2_3_diphospho_D_glyceric_acid,bmse000002,4,77.8017,8.58
17855,2_3_diphospho_D_glyceric_acid,bmse000002,5,77.7593,8.04
17856,2_3_diphospho_D_glyceric_acid,bmse000002,6,69.2089,12.5
17857,2_deoxyguanosine,bmse000003,1,140.4376,7.32
17858,2_deoxyguanosine,bmse000003,2,89.8652,7.61
17859,2_deoxyguanosine,bmse000003,3,86.6745,9.57
17860,2_deoxyguanosine,bmse000003,4,73.9059,12.5
17861,2_deoxyguanosine,bmse000003,5,64.3305,8.45
17862,2_deoxyguanosine,bmse000003,6,41.3976,8.86
17863,adenine,bmse000060,1,153.1875,0.8
17864,adenine,bmse000060,2,151.829,1.02
17865,adenine,bmse000060,3,147.5748,11.47
17866,adenine,bmse000060,4,146.3944,12.5
17867,adenine,bmse000060,5,118.324,0.66
17868,adenosine,bmse000061,1,155.2065,8.59
17869,adenosine,bmse000061,2,151.091,3.13
17870,adenosine,bmse000061,3,143.2708,6.58
17871,adenosine,bmse000061,4,91.0332,10.74
17872,adenosine,bmse000061,5,88.5401,11.36
17873,adenosine,bmse000061,6,76.3929,12.5
17874,adenosine,bmse000061,7,73.3525,11.01
17875,adenosine,bmse000061,8,64.2162,10.03
17876,adenosine,bmse000061,9,133.0864,1.07
17877,adonitol,bmse000062,1,74.8925,6.76
17878,adonitol,bmse000062,2,74.8008,11.44
17879,adonitol,bmse000062,3,65.0705,12.5
17880,ADP,bmse000004,1,158.1533,6.68
17881,ADP,bmse000004,2,155.4207,12.01
17882,ADP,bmse000004,3,151.6456,1.97
17883,ADP,bmse000004,4,151.5495,1.81
17884,ADP,bmse000004,5,142.8127,2.95
17885,ADP,bmse000004,6,142.5832,3.64
17886,ADP,bmse000004,7,121.1747,1.72
17887,ADP,bmse000004,8,89.778,10.17
17888,ADP,bmse000004,9,89.5551,6.01
17889,ADP,bmse000004,10,87.4621,3.15
17890,ADP,bmse000004,11,87.3746,3.43
17891,ADP,bmse000004,12,86.4858,4.81
17892,ADP,bmse000004,13,86.3979,5.28
17893,ADP,bmse000004,14,77.2288,6.53
17894,ADP,bmse000004,15,77.0622,12.5
17895,ADP,bmse000004,16,73.4056,6.43
17896,ADP,bmse000004,17,72.6057,12.04
17897,ADP,bmse000004,18,67.1794,3.82
17898,ADP,bmse000004,19,67.1297,3.91
17899,ADP,bmse000004,20,66.2518,2.61
17900,ADP,bmse000004,21,66.2091,2.71
17901,agmatine,bmse000063,1,159.5178,1.15
17902,agmatine,bmse000063,2,43.1542,9.26
17903,agmatine,bmse000063,3,41.7324,8.53
17904,agmatine,bmse000063,4,27.7024,11.07
17905,agmatine,bmse000063,5,26.715,12.5
17906,D_allose,bmse000008,1,96.1036,10.7
17907,D_allose,bmse000008,2,95.5286,1.55
17908,D_allose,bmse000008,3,76.2932,11.82
17909,D_allose,bmse000008,4,74.3841,1.58
17910,D_allose,bmse000008,5,73.9304,11.03
17911,D_allose,bmse000008,6,73.8513,12.02
17912,D_allose,bmse000008,7,69.7109,1.21
17913,D_allose,bmse000008,8,69.5516,1.22
17914,D_allose,bmse000008,9,69.4757,12.5
17915,D_allose,bmse000008,10,68.7507,2.03
17916,D_allose,bmse000008,11,63.8517,10.79
17917,D_allose,bmse000008,12,63.3663,1.24
17918,D_fructose,bmse000010,1,100.7878,2.8
17919,D_fructose,bmse000010,2,83.3844,4
17920,D_fructose,bmse000010,3,78.7409,1.35
17921,D_fructose,bmse000010,4,78.0833,3.23
17922,D_fructose,bmse000010,5,77.1431,3.97
17923,D_fructose,bmse000010,6,72.3808,12.5
17924,D_fructose,bmse000010,7,71.9017,10.92
17925,D_fructose,bmse000010,8,70.2559,10.72
17926,D_fructose,bmse000010,9,66.587,11.06
17927,D_fructose,bmse000010,10,66.0735,12.1
17928,D_fructose,bmse000010,11,65.3682,3.85
17929,D_fructose,bmse000010,12,65.074,4.07
17930,D_galactose,bmse000013,1,99.1714,10.5
17931,D_galactose,bmse000013,2,94.9986,5.59
17932,D_galactose,bmse000013,3,77.8681,12.5
17933,D_galactose,bmse000013,4,75.5121,11.36
17934,D_galactose,bmse000013,5,74.5893,11.5
17935,D_galactose,bmse000013,6,73.1956,6.08
17936,D_galactose,bmse000013,7,72.0185,5.93
17937,D_galactose,bmse000013,8,71.879,5.94
17938,D_galactose,bmse000013,9,71.4595,12.5
17939,D_galactose,bmse000013,10,71.0589,5.22
17940,D_galactose,bmse000013,11,63.8951,5.64
17941,D_galactose,bmse000013,12,63.6909,11.96
17942,D_glucose,bmse000015,1,98.6177,12.18
17943,D_glucose,bmse000015,2,94.8017,7.46
17944,D_glucose,bmse000015,3,78.6602,12.5
17945,D_glucose,bmse000015,4,78.46,12.38
17946,D_glucose,bmse000015,5,76.8429,11.94
17947,D_glucose,bmse000015,6,75.4621,6.95
17948,D_glucose,bmse000015,7,74.1868,7.96
17949,D_glucose,bmse000015,8,74.1521,7.85
17950,D_glucose,bmse000015,9,72.3476,7.59
17951,D_glucose,bmse000015,10,72.3041,12.25
17952,D_glucose,bmse000015,11,63.4496,11.55
17953,D_glucose,bmse000015,12,63.2877,6.43
17954,D_mannose,bmse000018,1,96.747,10.66
17955,D_mannose,bmse000018,2,96.3827,5.27
17956,D_mannose,bmse000018,3,78.8753,4.9
17957,D_mannose,bmse000018,4,75.7486,5.48
17958,D_mannose,bmse000018,5,75.1093,11.15
17959,D_mannose,bmse000018,6,73.9252,5.51
17960,D_mannose,bmse000018,7,73.3921,10.59
17961,D_mannose,bmse000018,8,72.9329,10.68
17962,D_mannose,bmse000018,9,69.5495,10.82
17963,D_mannose,bmse000018,10,69.3058,5.88
17964,D_mannose,bmse000018,11,63.666,12.5
17965,D_psicose,bmse000020,1,105.9793,2.62
17966,D_psicose,bmse000020,2,101.1482,2.31
17967,D_psicose,bmse000020,3,85.4184,12.5
17968,D_psicose,bmse000020,4,77.3405,2.67
17969,D_psicose,bmse000020,5,74.437,5.54
17970,D_psicose,bmse000020,6,73.7152,3.61
17971,D_psicose,bmse000020,7,73.0555,10.59
17972,D_psicose,bmse000020,8,73.0326,11.16
17973,D_psicose,bmse000020,9,72.9119,5.49
17974,D_psicose,bmse000020,10,71.7174,6.08
17975,D_psicose,bmse000020,11,68.562,7.08
17976,D_psicose,bmse000020,12,68.1859,7.9
17977,D_psicose,bmse000020,13,67.7838,6.98
17978,D_psicose,bmse000020,14,66.8844,6.45
17979,D_psicose,bmse000020,15,66.6778,4.36
17980,D_psicose,bmse000020,16,65.9583,9.93
17981,D_psicose,bmse000020,17,65.7568,6.2
17982,D_psicose,bmse000020,18,65.5148,3.26
17983,D_psicose,bmse000020,19,65.0727,3.8
17984,D_psicose,bmse000020,20,64.029,7.13
17985,D_psicose,bmse000020,21,60.6736,5.34
17986,D_sorbose,bmse000022,1,100.4423,2.8
17987,D_sorbose,bmse000022,2,76.5308,8.63
17988,D_sorbose,bmse000022,3,73.0506,8.72
17989,D_sorbose,bmse000022,4,72.1197,12.5
17990,D_sorbose,bmse000022,5,66.1492,9.88
17991,D_sorbose,bmse000022,6,64.4696,11
17992,D_tagatose,bmse000023,1,100.9098,3.49
17993,D_tagatose,bmse000023,2,73.6229,12.5
17994,D_tagatose,bmse000023,3,72.484,10.38
17995,D_tagatose,bmse000023,4,71.9743,2.2
17996,D_tagatose,bmse000023,5,69.0595,10.53
17997,D_tagatose,bmse000023,6,66.5918,10.06
17998,D_tagatose,bmse000023,7,66.403,1.92
17999,D_tagatose,bmse000023,8,66.1917,1.73
18000,D_tagatose,bmse000023,9,64.9495,7.98
18001,D_tagatose,bmse000023,10,62.8345,1.69
18002,D_xylose,bmse000026,1,99.3304,11.78
18003,D_xylose,bmse000026,2,94.9405,6.48
18004,D_xylose,bmse000026,3,78.526,10.11
18005,D_xylose,bmse000026,4,76.7418,12.5
18006,D_xylose,bmse000026,5,75.5229,5.77
18007,D_xylose,bmse000026,6,74.1661,6.42
18008,D_xylose,bmse000026,7,72.1118,6.54
18009,D_xylose,bmse000026,8,71.9378,12.28
18010,D_xylose,bmse000026,9,67.899,10.25
18011,D_xylose,bmse000026,10,63.6456,5.21
18012,alpha_ketoglutaric_acid,bmse000064,1,184.1528,2.07
18013,alpha_ketoglutaric_acid,bmse000064,2,38.5723,12.5
18014,alpha_ketoglutaric_acid,bmse000064,3,33.3219,9.83
18015,alpha_lactose,bmse000065,1,105.6382,8.25
18016,alpha_lactose,bmse000065,2,98.4725,7.33
18017,alpha_lactose,bmse000065,3,94.539,4.05
18018,alpha_lactose,bmse000065,4,81.1636,3.89
18019,alpha_lactose,bmse000065,5,81.0377,6.84
18020,alpha_lactose,bmse000065,6,78.0734,12.5
18021,alpha_lactose,bmse000065,7,77.522,7.34
18022,alpha_lactose,bmse000065,8,77.0808,7.32
18023,alpha_lactose,bmse000065,9,76.5296,7.28
18024,alpha_lactose,bmse000065,10,75.2407,11.24
18025,alpha_lactose,bmse000065,11,74.1286,4.28
18026,alpha_lactose,bmse000065,12,73.8715,4.75
18027,alpha_lactose,bmse000065,13,73.6835,9.31
18028,alpha_lactose,bmse000065,14,72.8271,3.84
18029,alpha_lactose,bmse000065,15,71.272,8.2
18030,alpha_lactose,bmse000065,16,63.7524,7.27
18031,alpha_lactose,bmse000065,17,62.8108,4.95
18032,alpha_lactose,bmse000065,18,62.6765,3.11
18033,4_aminobenzoic_acid,bmse000066,1,133.5667,12.5
18034,4_aminobenzoic_acid,bmse000066,2,128.9442,1.1
18035,4_aminobenzoic_acid,bmse000066,3,117.8119,11.36
18036,AMP,bmse000005,1,158.1415,3.52
18037,AMP,bmse000005,2,155.4083,9.41
18038,AMP,bmse000005,3,151.6344,4.45
18039,AMP,bmse000005,4,142.8031,7.78
18040,AMP,bmse000005,5,121.1486,2.72
18041,AMP,bmse000005,6,89.5563,11.53
18042,AMP,bmse000005,7,87.4594,6.04
18043,AMP,bmse000005,8,87.3722,6.06
18044,AMP,bmse000005,9,77.2299,12.5
18045,AMP,bmse000005,10,73.4036,12.24
18046,AMP,bmse000005,11,66.25,4.83
18047,AMP,bmse000005,12,66.2055,5.13
18048,anthranilic_acid,bmse000067,1,150.2702,2.1
18049,anthranilic_acid,bmse000067,2,134.7227,10.28
18050,anthranilic_acid,bmse000067,3,133.6538,12.5
18051,anthranilic_acid,bmse000067,4,123.4956,1.99
18052,anthranilic_acid,bmse000067,5,120.6937,11.1
18053,anthranilic_acid,bmse000067,6,120.3926,11.42
18054,L_arabitol,bmse000068,1,73.609,12.5
18055,L_arabitol,bmse000068,2,73.1399,11.93
18056,L_arabitol,bmse000068,3,72.9514,12.49
18057,L_arabitol,bmse000068,4,65.7296,10.81
18058,L_arabitol,bmse000068,5,65.6383,9.86
18059,ATP,bmse000006,1,158.2621,4.05
18060,ATP,bmse000006,2,155.4997,9.32
18061,ATP,bmse000006,3,151.7848,3.62
18062,ATP,bmse000006,4,142.6155,7.12
18063,ATP,bmse000006,5,121.2616,2.51
18064,ATP,bmse000006,6,89.3634,10.94
18065,ATP,bmse000006,7,86.7432,5.75
18066,ATP,bmse000006,8,86.6543,5.65
18067,ATP,bmse000006,9,76.9481,12.5
18068,ATP,bmse000006,10,72.9427,11.75
18069,ATP,bmse000006,11,67.8017,4.32
18070,ATP,bmse000006,12,67.7473,4.42
18071,betaine,bmse000069,1,171.9654,1.21
18072,betaine,bmse000069,2,68.893,3.07
18073,betaine,bmse000069,3,68.8587,3.29
18074,betaine,bmse000069,4,68.8297,3.27
18075,betaine,bmse000069,5,56.0898,10.14
18076,betaine,bmse000069,6,56.0509,12.5
18077,betaine,bmse000069,7,56.0118,10.21
18078,betaine_aldehyde,bmse000070,1,87.5694,9.74
18079,betaine_aldehyde,bmse000070,2,56.9587,10.45
18080,betaine_aldehyde,bmse000070,3,56.9195,12.5
18081,betaine_aldehyde,bmse000070,4,56.8886,11.17
18082,cadaverine,bmse000072,1,41.871,11.66
18083,cadaverine,bmse000072,2,28.9617,12.5
18084,cadaverine,bmse000072,3,25.3762,5.64
18085,cAMP,bmse000071,1,158.0318,4.3
18086,cAMP,bmse000071,2,155.524,10.63
18087,cAMP,bmse000071,3,150.7719,4.62
18088,cAMP,bmse000071,4,142.3466,9.68
18089,cAMP,bmse000071,5,121.2041,3.29
18090,cAMP,bmse000071,6,94.2109,12.5
18091,cAMP,bmse000071,7,80.0206,6.2
18092,cAMP,bmse000071,8,79.9754,6.98
18093,cAMP,bmse000071,9,75.0214,7.05
18094,cAMP,bmse000071,10,74.9418,7.25
18095,cAMP,bmse000071,11,74.463,6.46
18096,cAMP,bmse000071,12,70.0836,5.58
18097,cAMP,bmse000071,13,70.0142,5.05
18098,L_canavanine,bmse000073,1,177.0117,3.9
18099,L_canavanine,bmse000073,2,161.2671,2
18100,L_canavanine,bmse000073,3,74.5403,11.99
18101,L_canavanine,bmse000073,4,55.2855,12.02
18102,L_canavanine,bmse000073,5,31.809,12.5
18103,D_carnitine,bmse000074,1,180.7779,2.25
18104,D_carnitine,bmse000074,2,72.8193,4.47
18105,D_carnitine,bmse000074,3,72.7942,3.83
18106,D_carnitine,bmse000074,4,66.791,9.37
18107,D_carnitine,bmse000074,5,56.8328,10.48
18108,D_carnitine,bmse000074,6,56.7941,12.5
18109,D_carnitine,bmse000074,7,56.7554,10.44
18110,D_carnitine,bmse000074,8,45.6802,6.79
18111,chorismic_acid,bmse000075,1,155.9825,4.51
18112,chorismic_acid,bmse000075,2,137.1007,3.63
18113,chorismic_acid,bmse000075,3,132.6303,11.7
18114,chorismic_acid,bmse000075,4,131.7674,9.54
18115,chorismic_acid,bmse000075,5,126.7891,9.9
18116,chorismic_acid,bmse000075,6,95.5643,8.84
18117,chorismic_acid,bmse000075,7,82.3153,12.5
18118,chorismic_acid,bmse000075,8,72.8256,12.45
18119,citrate,bmse000076,1,184.7215,1.13
18120,citrate,bmse000076,2,182.0353,2.11
18121,citrate,bmse000076,3,77.9249,1.44
18122,citrate,bmse000076,4,48.4023,12.5
18123,coumarin,bmse000077,1,163.4646,0.72
18124,coumarin,bmse000077,2,156.7265,1.12
18125,coumarin,bmse000077,3,146.1206,6.54
18126,coumarin,bmse000077,4,134.5133,12.5
18127,coumarin,bmse000077,5,130.5441,8.87
18128,coumarin,bmse000077,6,127.1083,11.93
18129,coumarin,bmse000077,7,121.5098,1.08
18130,coumarin,bmse000077,8,119.5804,6.82
18131,coumarin,bmse000077,9,119.3784,7.14
18132,creatine,bmse000078,1,177.3494,1.87
18133,creatine,bmse000078,2,56.549,12.5
18134,creatine,bmse000078,3,39.6249,7.16
18135,creatine_phosphate,bmse000079,1,177.5977,1.69
18136,creatine_phosphate,bmse000079,2,56.5658,12.5
18137,creatine_phosphate,bmse000079,3,39.5149,7.02
18138,dehydro_proline,bmse000080,1,174.9837,1.15
18139,dehydro_proline,bmse000080,2,128.3998,11.9
18140,dehydro_proline,bmse000080,3,128.1163,10.28
18141,dehydro_proline,bmse000080,4,71.129,8.12
18142,dehydro_proline,bmse000080,5,55.1054,12.5
18143,D_3_phosphoglyceric_acid,bmse000007,1,181.5589,4.18
18144,D_3_phosphoglyceric_acid,bmse000007,2,75.6758,11.64
18145,D_3_phosphoglyceric_acid,bmse000007,3,75.5997,9.71
18146,D_3_phosphoglyceric_acid,bmse000007,4,69.5144,10.45
18147,D_3_phosphoglyceric_acid,bmse000007,5,69.4639,12.5
18148,D_fructose_1_6_bisphosphate,bmse000011,1,107.7441,1.24
18149,D_fructose_1_6_bisphosphate,bmse000011,2,107.6859,1.45
18150,D_fructose_1_6_bisphosphate,bmse000011,3,103.7998,2.79
18151,D_fructose_1_6_bisphosphate,bmse000011,4,103.7169,2.58
18152,D_fructose_1_6_bisphosphate,bmse000011,5,84.7524,1.84
18153,D_fructose_1_6_bisphosphate,bmse000011,6,84.6734,1.8
18154,D_fructose_1_6_bisphosphate,bmse000011,7,84.1618,3.88
18155,D_fructose_1_6_bisphosphate,bmse000011,8,82.4331,4.33
18156,D_fructose_1_6_bisphosphate,bmse000011,9,82.3517,4.54
18157,D_fructose_1_6_bisphosphate,bmse000011,10,79.436,3.58
18158,D_fructose_1_6_bisphosphate,bmse000011,11,78.4857,12.5
18159,D_fructose_1_6_bisphosphate,bmse000011,12,76.8309,8.44
18160,D_fructose_1_6_bisphosphate,bmse000011,13,68.3534,4.96
18161,D_fructose_1_6_bisphosphate,bmse000011,14,67.3714,1.78
18162,D_fructose_1_6_bisphosphate,bmse000011,15,67.0519,6.07
18163,D_fructose_1_6_bisphosphate,bmse000011,16,67.0078,5.96
18164,D_fructose_1_6_bisphosphate,bmse000011,17,66.9036,2.2
18165,D_fructose_1_6_bisphosphate,bmse000011,18,66.8591,2.2
18166,D_fructose_6_phosphate,bmse000012,1,107.1352,1.18
18167,D_fructose_6_phosphate,bmse000012,2,104.1799,5.96
18168,D_fructose_6_phosphate,bmse000012,3,84.4579,2.69
18169,D_fructose_6_phosphate,bmse000012,4,83.1582,1.38
18170,D_fructose_6_phosphate,bmse000012,5,83.081,1.12
18171,D_fructose_6_phosphate,bmse000012,6,82.6592,6.1
18172,D_fructose_6_phosphate,bmse000012,7,82.5783,5.8
18173,D_fructose_6_phosphate,bmse000012,8,78.536,2.85
18174,D_fructose_6_phosphate,bmse000012,9,77.8697,12.5
18175,D_fructose_6_phosphate,bmse000012,10,77.0604,11.73
18176,D_fructose_6_phosphate,bmse000012,11,67.0498,5.65
18177,D_fructose_6_phosphate,bmse000012,12,67.0041,5.36
18178,D_fructose_6_phosphate,bmse000012,13,66.1661,1.42
18179,D_fructose_6_phosphate,bmse000012,14,65.5593,2.38
18180,D_fructose_6_phosphate,bmse000012,15,65.331,9.82
18181,D_glucosamine,bmse000014,1,96.4205,8.72
18182,D_glucosamine,bmse000014,2,92.2506,9.77
18183,D_glucosamine,bmse000014,3,78.8513,9.64
18184,D_glucosamine,bmse000014,4,75.5831,6.35
18185,D_glucosamine,bmse000014,5,74.3295,12.27
18186,D_glucosamine,bmse000014,6,72.756,10.13
18187,D_glucosamine,bmse000014,7,72.4003,6.63
18188,D_glucosamine,bmse000014,8,72.3164,12.5
18189,D_glucosamine,bmse000014,9,63.2588,6.09
18190,D_glucosamine,bmse000014,10,63.0618,8.38
18191,D_glucosamine,bmse000014,11,59.6201,8.02
18192,D_glucosamine,bmse000014,12,57.0959,11.82
18193,D_glucose_6_phosphate,bmse000016,1,98.7788,8.55
18194,D_glucose_6_phosphate,bmse000016,2,94.9276,4.89
18195,D_glucose_6_phosphate,bmse000016,3,78.1764,4.82
18196,D_glucose_6_phosphate,bmse000016,4,78.106,3.56
18197,D_glucose_6_phosphate,bmse000016,5,77.9455,6.69
18198,D_glucose_6_phosphate,bmse000016,6,76.9831,9.41
18199,D_glucose_6_phosphate,bmse000016,7,75.0341,3.92
18200,D_glucose_6_phosphate,bmse000016,8,74.314,4.27
18201,D_glucose_6_phosphate,bmse000016,9,73.8171,2.12
18202,D_glucose_6_phosphate,bmse000016,10,73.7484,2.83
18203,D_glucose_6_phosphate,bmse000016,11,71.7635,12.5
18204,D_glucose_6_phosphate,bmse000016,12,65.5737,3.84
18205,D_glucose_6_phosphate,bmse000016,13,65.5308,3.24
18206,D_glucose_6_phosphate,bmse000016,14,65.4799,2.31
18207,D_maltose,bmse000017,1,102.3099,6.16
18208,D_maltose,bmse000017,2,102.2275,9.38
18209,D_maltose,bmse000017,3,98.4704,10.34
18210,D_maltose,bmse000017,4,94.5912,6.33
18211,D_maltose,bmse000017,5,79.5285,5.17
18212,D_maltose,bmse000017,6,79.3217,8.47
18213,D_maltose,bmse000017,7,78.9276,9.15
18214,D_maltose,bmse000017,8,77.2648,10.83
18215,D_maltose,bmse000017,9,76.7045,8.61
18216,D_maltose,bmse000017,10,75.9471,5.48
18217,D_maltose,bmse000017,11,75.5584,7.84
18218,D_maltose,bmse000017,12,75.5345,10.55
18219,D_maltose,bmse000017,13,75.3859,9.92
18220,D_maltose,bmse000017,14,74.4492,5.89
18221,D_maltose,bmse000017,15,74.3558,8.17
18222,D_maltose,bmse000017,16,73.9924,5.77
18223,D_maltose,bmse000017,17,72.6486,6.16
18224,D_maltose,bmse000017,18,72.0198,8.44
18225,D_maltose,bmse000017,19,63.4361,6.09
18226,D_maltose,bmse000017,20,63.2871,4.41
18227,D_maltose,bmse000017,21,63.1596,12.5
18228,D_ornithine,bmse000019,1,56.8208,12.5
18229,D_ornithine,bmse000019,2,41.5722,10.12
18230,D_ornithine,bmse000019,3,30.1825,12.11
18231,D_ornithine,bmse000019,4,25.4604,8.77
18232,D_threo_isocitric_acid,bmse000025,1,183.683,6.79
18233,D_threo_isocitric_acid,bmse000025,2,182.958,3.11
18234,D_threo_isocitric_acid,bmse000025,3,76.3916,11.16
18235,D_threo_isocitric_acid,bmse000025,4,51.8047,12.5
18236,D_threo_isocitric_acid,bmse000025,5,40.3285,10.98
18237,D_xylulose,bmse000027,1,108.4502,1.01
18238,D_xylulose,bmse000027,2,105.6511,3.08
18239,D_xylulose,bmse000027,3,83.18,3.1
18240,D_xylulose,bmse000027,4,78.9065,11.61
18241,D_xylulose,bmse000027,5,78.5426,3.96
18242,D_xylulose,bmse000027,6,78.011,2.93
18243,D_xylulose,bmse000027,7,77.5565,9.89
18244,D_xylulose,bmse000027,8,74.6749,2.45
18245,D_xylulose,bmse000027,9,74.6163,2.47
18246,D_xylulose,bmse000027,10,72.5201,10.76
18247,D_xylulose,bmse000027,11,68.7345,3.03
18248,D_xylulose,bmse000027,12,65.6799,12.5
18249,D_xylulose,bmse000027,13,65.1062,3.07
18250,D_xylulose,bmse000027,14,64.5556,3.06
18251,fumaric_acid,bmse000083,1,177.424,1.91
18252,fumaric_acid,bmse000083,2,138.042,12.5
18253,gluconic_acid,bmse000084,1,181.3386,1.89
18254,gluconic_acid,bmse000084,2,76.7743,10.33
18255,gluconic_acid,bmse000084,3,75.2613,9.8
18256,gluconic_acid,bmse000084,4,73.8705,12.36
18257,gluconic_acid,bmse000084,5,73.6525,10.2
18258,gluconic_acid,bmse000084,6,65.308,12.5
18259,alpha_D_glucose_1_phosphate,bmse000086,1,96.3867,5.99
18260,alpha_D_glucose_1_phosphate,bmse000086,2,96.3335,6.2
18261,alpha_D_glucose_1_phosphate,bmse000086,3,75.8391,10.34
18262,alpha_D_glucose_1_phosphate,bmse000086,4,74.9392,5.94
18263,alpha_D_glucose_1_phosphate,bmse000086,5,74.871,6.51
18264,alpha_D_glucose_1_phosphate,bmse000086,6,74.7037,12.5
18265,alpha_D_glucose_1_phosphate,bmse000086,7,72.4482,11.49
18266,alpha_D_glucose_1_phosphate,bmse000086,8,63.3999,9.58
18267,alpha_D_glucose_1_6_bisphosphate,bmse000087,1,96.6014,6.13
18268,alpha_D_glucose_1_6_bisphosphate,bmse000087,2,96.5465,7.96
18269,alpha_D_glucose_1_6_bisphosphate,bmse000087,3,75.3449,11.03
18270,alpha_D_glucose_1_6_bisphosphate,bmse000087,4,75.0612,6.57
18271,alpha_D_glucose_1_6_bisphosphate,bmse000087,5,74.9873,7.68
18272,alpha_D_glucose_1_6_bisphosphate,bmse000087,6,74.3802,6.65
18273,alpha_D_glucose_1_6_bisphosphate,bmse000087,7,74.317,7.4
18274,alpha_D_glucose_1_6_bisphosphate,bmse000087,8,71.5781,12.5
18275,alpha_D_glucose_1_6_bisphosphate,bmse000087,9,65.3993,4.84
18276,alpha_D_glucose_1_6_bisphosphate,bmse000087,10,65.3536,5.06
18277,glycine,bmse000089,1,175.1557,1.97
18278,glycine,bmse000089,2,44.1252,12.5
18279,guanine,bmse000090,1,170.3632,9.04
18280,guanine,bmse000090,2,163.6535,12.5
18281,guanine,bmse000090,3,161.8796,11.9
18282,guanine,bmse000090,4,120.9619,9.12
18283,guanosine,bmse000091,1,170.5025,1.71
18284,guanosine,bmse000091,2,163.3657,1.47
18285,guanosine,bmse000091,3,153.5645,2.67
18286,guanosine,bmse000091,4,139.3656,9.14
18287,guanosine,bmse000091,5,121.0084,1.46
18288,guanosine,bmse000091,6,90.841,11.95
18289,guanosine,bmse000091,7,88.5938,12.21
18290,guanosine,bmse000091,8,75.8197,12.21
18291,guanosine,bmse000091,9,73.7609,12.5
18292,guanosine,bmse000091,10,64.5009,9.96
18293,4_hydroxybenzoic_acid,bmse000092,1,161.2131,1.26
18294,4_hydroxybenzoic_acid,bmse000092,2,133.942,12.5
18295,4_hydroxybenzoic_acid,bmse000092,3,130.8287,1.62
18296,4_hydroxybenzoic_acid,bmse000092,4,117.592,10.22
18297,trans_3_hydroxycinnamic_acid,bmse000093,1,178.4192,2.27
18298,trans_3_hydroxycinnamic_acid,bmse000093,2,158.5422,3.6
18299,trans_3_hydroxycinnamic_acid,bmse000093,3,143.1901,8.95
18300,trans_3_hydroxycinnamic_acid,bmse000093,4,139.6042,3.48
18301,trans_3_hydroxycinnamic_acid,bmse000093,5,133.0298,11.46
18302,trans_3_hydroxycinnamic_acid,bmse000093,6,127.174,8.41
18303,trans_3_hydroxycinnamic_acid,bmse000093,7,122.9365,12.5
18304,trans_3_hydroxycinnamic_acid,bmse000093,8,119.3249,10.36
18305,trans_3_hydroxycinnamic_acid,bmse000093,9,116.6163,10.36
18306,hypoxanthine,bmse000094,1,164.9523,1.17
18307,hypoxanthine,bmse000094,2,159.7264,2.08
18308,hypoxanthine,bmse000094,3,150.37,10.69
18309,hypoxanthine,bmse000094,4,149.1756,12.5
18310,hypoxanthine,bmse000094,5,123.2364,1.06
18311,imidazole,bmse000096,1,137.7708,3.03
18312,imidazole,bmse000096,2,123.4233,12.5
18313,indole,bmse000097,1,138.3981,1.25
18314,indole,bmse000097,2,130.4755,1.24
18315,indole,bmse000097,3,126.7831,8.65
18316,indole,bmse000097,4,124.6229,12.5
18317,indole,bmse000097,5,123.3758,10.66
18318,indole,bmse000097,6,122.4493,10.48
18319,indole,bmse000097,7,113.6756,9.74
18320,indole,bmse000097,8,105.2378,11.58
18321,inosine,bmse000098,1,151.078,2.3
18322,inosine,bmse000098,2,148.9185,8.98
18323,inosine,bmse000098,3,142.8874,7.4
18324,inosine,bmse000098,4,126.8411,1.65
18325,inosine,bmse000098,5,91.1086,8.08
18326,inosine,bmse000098,6,88.2694,11.43
18327,inosine,bmse000098,7,76.7759,12.5
18328,inosine,bmse000098,8,73.0828,10.32
18329,inosine,bmse000098,9,64.0173,8.72
18330,i_erythritol,bmse000095,1,74.6148,12.5
18331,i_erythritol,bmse000095,2,65.3077,8.45
18332,L_alanine,bmse000028,1,178.5574,1.16
18333,L_alanine,bmse000028,2,53.2035,9.48
18334,L_alanine,bmse000028,3,18.8465,12.5
18335,L_arginine,bmse000029,1,177.2125,3.21
18336,L_arginine,bmse000029,2,57.0216,10.14
18337,L_arginine,bmse000029,3,43.2011,12.5
18338,L_arginine,bmse000029,4,30.2885,11.19
18339,L_arginine,bmse000029,5,26.5758,9.54
18340,L_asparagine,bmse000030,1,177.1771,1.47
18341,L_asparagine,bmse000030,2,176.209,1.94
18342,L_asparagine,bmse000030,3,53.9932,12.5
18343,L_asparagine,bmse000030,4,37.2983,11.26
18344,L_aspartic_acid,bmse000031,1,180.297,3.41
18345,L_aspartic_acid,bmse000031,2,176.9954,2.67
18346,L_aspartic_acid,bmse000031,3,54.9142,11.68
18347,L_aspartic_acid,bmse000031,4,39.2604,12.5
18348,L_citrulline,bmse000032,1,177.3878,3.15
18349,L_citrulline,bmse000032,2,164.2805,1.25
18350,L_citrulline,bmse000032,3,57.2048,11.84
18351,L_citrulline,bmse000032,4,41.9551,1.88
18352,L_citrulline,bmse000032,5,30.4444,12.5
18353,L_citrulline,bmse000032,6,27.6682,7.93
18354,L_cystathionine,bmse000033,1,56.4392,8
18355,L_cystathionine,bmse000033,2,56.2614,10.81
18356,L_cystathionine,bmse000033,3,34.8058,9.84
18357,L_cystathionine,bmse000033,4,32.8913,9.2
18358,L_cystathionine,bmse000033,5,29.7625,12.5
18359,L_cysteine,bmse000034,1,58.731,9.48
18360,L_cysteine,bmse000034,2,27.687,12.5
18361,L_cystine,bmse000035,1,183.331,3.03
18362,L_cystine,bmse000035,2,57.5783,12.5
18363,L_cystine,bmse000035,3,46.0281,10.99
18364,L_fucose,bmse000036,1,98.936,11.78
18365,L_fucose,bmse000036,2,94.9206,4.76
18366,L_fucose,bmse000036,3,75.6252,9.59
18367,L_fucose,bmse000036,4,74.6014,4.86
18368,L_fucose,bmse000036,5,74.3627,10.92
18369,L_fucose,bmse000036,6,74.1543,8.8
18370,L_fucose,bmse000036,7,73.586,9.85
18371,L_fucose,bmse000036,8,71.9701,4.6
18372,L_fucose,bmse000036,9,70.7832,3.67
18373,L_fucose,bmse000036,10,69.0314,4.4
18374,L_fucose,bmse000036,11,18.2232,12.5
18375,L_glutamic_acid,bmse000037,1,184.0438,2.16
18376,L_glutamic_acid,bmse000037,2,177.297,1.79
18377,L_glutamic_acid,bmse000037,3,57.3356,12.29
18378,L_glutamic_acid,bmse000037,4,36.1753,9.58
18379,L_glutamic_acid,bmse000037,5,29.6742,12.5
18380,L_glutamine,bmse000038,1,180.3694,1.86
18381,L_glutamine,bmse000038,2,176.8264,2.47
18382,L_glutamine,bmse000038,3,56.8326,9.96
18383,L_glutamine,bmse000038,4,33.528,10.99
18384,L_glutamine,bmse000038,5,28.9528,12.5
18385,L_histidine,bmse000039,1,176.6511,1.83
18386,L_histidine,bmse000039,2,138.9728,9.16
18387,L_histidine,bmse000039,3,134.6686,2.25
18388,L_histidine,bmse000039,4,119.5492,8.47
18389,L_histidine,bmse000039,5,57.4737,12.5
18390,L_histidine,bmse000039,6,30.7804,11.71
18391,L_homoserine,bmse000040,1,177.2374,1.7
18392,L_homoserine,bmse000040,2,61.3363,12.5
18393,L_homoserine,bmse000040,3,56.0719,8.39
18394,L_homoserine,bmse000040,4,34.8823,11.17
18395,L_isoleucine,bmse000041,1,176.9223,1.89
18396,L_isoleucine,bmse000041,2,62.2493,12.5
18397,L_isoleucine,bmse000041,3,38.5957,9.56
18398,L_isoleucine,bmse000041,4,27.1531,12.15
18399,L_isoleucine,bmse000041,5,17.3893,8.4
18400,L_isoleucine,bmse000041,6,13.8035,7.76
18401,L_leucine,bmse000042,1,178.3284,2.9
18402,L_leucine,bmse000042,2,56.1175,11.06
18403,L_leucine,bmse000042,3,42.5151,11.41
18404,L_leucine,bmse000042,4,26.8579,12.5
18405,L_leucine,bmse000042,5,24.7283,9.43
18406,L_leucine,bmse000042,6,23.5808,12.45
18407,L_lysine,bmse000043,1,177.4077,2.58
18408,L_lysine,bmse000043,2,57.1969,9.77
18409,L_lysine,bmse000043,3,41.7595,10.04
18410,L_lysine,bmse000043,4,32.6068,10.59
18411,L_lysine,bmse000043,5,29.1125,12.5
18412,L_lysine,bmse000043,6,24.1325,10.95
18413,malic_acid,bmse000046,1,183.7669,2.25
18414,malic_acid,bmse000046,2,182.5706,2
18415,malic_acid,bmse000046,3,73.0495,9.52
18416,malic_acid,bmse000046,4,45.3174,12.5
18417,L_methionine,bmse000044,1,177.0256,1.63
18418,L_methionine,bmse000044,2,56.5949,11.7
18419,L_methionine,bmse000044,3,32.3948,11.02
18420,L_methionine,bmse000044,4,31.5117,12.5
18421,L_methionine,bmse000044,5,16.6207,5.66
18422,L_phenylalanine,bmse000045,1,137.8245,2.32
18423,L_phenylalanine,bmse000045,2,132.08,12.5
18424,L_phenylalanine,bmse000045,3,131.8234,9.6
18425,L_phenylalanine,bmse000045,4,130.4017,5.37
18426,L_phenylalanine,bmse000045,5,58.7477,5.25
18427,L_phenylalanine,bmse000045,6,39.0993,5.55
18428,L_proline,bmse000047,1,177.4144,1.3
18429,L_proline,bmse000047,2,63.9229,11.05
18430,L_proline,bmse000047,3,48.7631,9.32
18431,L_proline,bmse000047,4,31.6863,12.5
18432,L_proline,bmse000047,5,26.4548,9.6
18433,L_serine,bmse000048,1,62.8928,12.5
18434,L_serine,bmse000048,2,59.0815,8.62
18435,L_threonine,bmse000049,1,175.6411,1.16
18436,L_threonine,bmse000049,2,68.6408,12.03
18437,L_threonine,bmse000049,3,63.1368,12.5
18438,L_threonine,bmse000049,4,22.1352,12.2
18439,L_tryptophan,bmse000050,1,177.255,2.71
18440,L_tryptophan,bmse000050,2,139.0401,1.59
18441,L_tryptophan,bmse000050,3,129.3512,1.89
18442,L_tryptophan,bmse000050,4,127.7463,10.84
18443,L_tryptophan,bmse000050,5,124.8346,12.27
18444,L_tryptophan,bmse000050,6,122.1638,12.5
18445,L_tryptophan,bmse000050,7,121.1566,12.38
18446,L_tryptophan,bmse000050,8,114.6587,10.23
18447,L_tryptophan,bmse000050,9,110.1782,4.04
18448,L_tryptophan,bmse000050,10,57.7537,11.28
18449,L_tryptophan,bmse000050,11,29.1016,11.57
18450,L_tyrosine,bmse000051,1,184.1279,1.35
18451,L_tyrosine,bmse000051,2,163.7886,1.13
18452,L_tyrosine,bmse000051,3,133.3998,10.61
18453,L_tyrosine,bmse000051,4,128.0459,2.21
18454,L_tyrosine,bmse000051,5,120.2955,12.5
18455,L_tyrosine,bmse000051,6,60.0412,5.12
18456,L_tyrosine,bmse000051,7,41.8233,4.45
18457,L_valine,bmse000052,1,63.0706,10.1
18458,L_valine,bmse000052,2,31.7958,11.73
18459,L_valine,bmse000052,3,20.6547,12.29
18460,L_valine,bmse000052,4,19.3267,12.5
18461,D_mannitol,bmse000099,1,73.4901,12.5
18462,D_mannitol,bmse000099,2,71.9258,8.62
18463,D_mannitol,bmse000099,3,65.9197,11.81
18464,meso_erythritol,bmse000100,1,74.6159,12.5
18465,meso_erythritol,bmse000100,2,65.309,8.37
18466,methyl_oxobutanoic_acid,bmse000101,1,39.7045,5.48
18467,methyl_oxobutanoic_acid,bmse000101,2,19.0607,12.5
18468,muco_inositol,bmse000102,1,75.0137,6.8
18469,muco_inositol,bmse000102,2,72.8728,12.5
18470,myo_inositol,bmse000103,1,77.0519,5.9
18471,myo_inositol,bmse000103,2,75.1054,12.5
18472,myo_inositol,bmse000103,3,74.8867,4.4
18473,myo_inositol,bmse000103,4,73.8316,10.8
18474,NAD,bmse000053,1,167.8653,3.69
18475,NAD,bmse000053,2,158.0181,4.21
18476,NAD,bmse000053,3,155.468,8.5
18477,NAD,bmse000053,4,151.5966,5.8
18478,NAD,bmse000053,5,148.4441,6.77
18479,NAD,bmse000053,6,145.0618,5.64
18480,NAD,bmse000053,7,142.6338,5.11
18481,NAD,bmse000053,8,142.3914,7.13
18482,NAD,bmse000053,9,136.3277,6.28
18483,NAD,bmse000053,10,131.3233,7.72
18484,NAD,bmse000053,11,121.0165,3.15
18485,NAD,bmse000053,12,102.7367,9.04
18486,NAD,bmse000053,13,89.7361,5.45
18487,NAD,bmse000053,14,89.6488,5.15
18488,NAD,bmse000053,15,89.3547,10.54
18489,NAD,bmse000053,16,86.5859,5.25
18490,NAD,bmse000053,17,86.4979,5.24
18491,NAD,bmse000053,18,80.3065,12.5
18492,NAD,bmse000053,19,76.6526,12.24
18493,NAD,bmse000053,20,73.2929,11.75
18494,NAD,bmse000053,21,73.0829,11.48
18495,NAD,bmse000053,22,68.1579,4.36
18496,NAD,bmse000053,23,68.1059,4.27
18497,NAD,bmse000053,24,67.6491,4.7
18498,NAD,bmse000053,25,67.5973,4.24
18499,NADH,bmse000054,1,175.3474,5.48
18500,NADH,bmse000054,2,158.1968,4.24
18501,NADH,bmse000054,3,155.4171,8.83
18502,NADH,bmse000054,4,151.5844,5.71
18503,NADH,bmse000054,5,142.3515,6.8
18504,NADH,bmse000054,6,141.1257,9.71
18505,NADH,bmse000054,7,126.4094,7.79
18506,NADH,bmse000054,8,121.2963,4.16
18507,NADH,bmse000054,9,108.0387,9.52
18508,NADH,bmse000054,10,102.5371,7.01
18509,NADH,bmse000054,11,97.7448,9.22
18510,NADH,bmse000054,12,89.7936,11.06
18511,NADH,bmse000054,13,86.3582,5.51
18512,NADH,bmse000054,14,85.0981,5.6
18513,NADH,bmse000054,15,77.2518,12.23
18514,NADH,bmse000054,16,73.4643,12.14
18515,NADH,bmse000054,17,73.2824,12.5
18516,NADH,bmse000054,18,72.9239,9.04
18517,NADH,bmse000054,19,68.6321,4.65
18518,NADH,bmse000054,20,67.8556,4.52
18519,NADH,bmse000054,21,24.5551,8.23
18520,NADH,bmse000054,22,19.5029,3.45
18521,NADPH,bmse000055,1,175.4549,3.91
18522,NADPH,bmse000055,2,158.2562,4.4
18523,NADPH,bmse000055,3,155.3726,8.4
18524,NADPH,bmse000055,4,151.6612,4.78
18525,NADPH,bmse000055,5,142.7666,6.52
18526,NADPH,bmse000055,6,141.0746,8.37
18527,NADPH,bmse000055,7,126.4637,8.6
18528,NADPH,bmse000055,8,108.0154,8.41
18529,NADPH,bmse000055,9,102.5834,6.37
18530,NADPH,bmse000055,10,97.6847,9.4
18531,NADPH,bmse000055,11,89.5671,4.71
18532,NADPH,bmse000055,12,89.4832,4.7
18533,NADPH,bmse000055,13,85.6232,4.52
18534,NADPH,bmse000055,14,85.136,4.45
18535,NADPH,bmse000055,15,79.2632,4.94
18536,NADPH,bmse000055,16,73.4756,12.5
18537,NADPH,bmse000055,17,73.324,11.5
18538,NADPH,bmse000055,18,72.7309,8.21
18539,NADPH,bmse000055,19,68.5416,4.39
18540,NADPH,bmse000055,20,67.9571,5.25
18541,NADPH,bmse000055,21,24.6213,6.74
18542,niacin,bmse000104,1,176.0593,0.88
18543,niacin,bmse000104,2,153.1473,12.5
18544,niacin,bmse000104,3,151.7346,9.43
18545,niacin,bmse000104,4,140.3918,11.16
18546,niacin,bmse000104,5,135.0395,2.37
18547,niacin,bmse000104,6,126.6461,10.94
18548,nicotine,bmse000105,1,152.9553,11.86
18549,nicotine,bmse000105,2,151.8079,8.39
18550,nicotine,bmse000105,3,139.9786,11.24
18551,nicotine,bmse000105,4,132.2848,2.82
18552,nicotine,bmse000105,5,127.6138,11.08
18553,nicotine,bmse000105,6,72.3903,8.23
18554,nicotine,bmse000105,7,58.7754,9.8
18555,nicotine,bmse000105,8,40.9138,11.41
18556,nicotine,bmse000105,9,33.0757,8.96
18557,nicotine,bmse000105,10,24.2203,12.5
18558,N_acetylneuraminic_acid,bmse000057,1,179.4931,2.99
18559,N_acetylneuraminic_acid,bmse000057,2,177.4691,5.36
18560,N_acetylneuraminic_acid,bmse000057,3,99.1066,6.81
18561,N_acetylneuraminic_acid,bmse000057,4,73.0136,10.35
18562,N_acetylneuraminic_acid,bmse000057,5,72.9084,11.02
18563,N_acetylneuraminic_acid,bmse000057,6,71.2583,9.48
18564,N_acetylneuraminic_acid,bmse000057,7,70.0063,10.08
18565,N_acetylneuraminic_acid,bmse000057,8,66.0063,10.13
18566,N_acetylneuraminic_acid,bmse000057,9,54.9693,12.5
18567,N_acetylneuraminic_acid,bmse000057,10,42.0905,8.84
18568,N_acetylneuraminic_acid,bmse000057,11,24.8195,11.34
18569,N_acetyl_D_mannosamine,bmse000056,1,178.4248,1.93
18570,N_acetyl_D_mannosamine,bmse000056,2,177.4968,2.6
18571,N_acetyl_D_mannosamine,bmse000056,3,95.8209,8.31
18572,N_acetyl_D_mannosamine,bmse000056,4,95.688,9.13
18573,N_acetyl_D_mannosamine,bmse000056,5,79.0399,10.23
18574,N_acetyl_D_mannosamine,bmse000056,6,74.7525,9.08
18575,N_acetyl_D_mannosamine,bmse000056,7,74.6939,8.91
18576,N_acetyl_D_mannosamine,bmse000056,8,71.5593,11.26
18577,N_acetyl_D_mannosamine,bmse000056,9,69.4618,11.11
18578,N_acetyl_D_mannosamine,bmse000056,10,69.1894,8.23
18579,N_acetyl_D_mannosamine,bmse000056,11,63.0714,12.5
18580,N_acetyl_D_mannosamine,bmse000056,12,56.7834,6.76
18581,N_acetyl_D_mannosamine,bmse000056,13,55.9143,11.74
18582,N_acetyl_D_mannosamine,bmse000056,14,24.7467,6.42
18583,N_acetyl_D_mannosamine,bmse000056,15,24.6103,7.83
18584,oxalate,bmse000106,1,176.1386,12.5
18585,O_succinyl_L_homoserine,bmse000058,1,183.8863,2.56
18586,O_succinyl_L_homoserine,bmse000058,2,178.3647,2.14
18587,O_succinyl_L_homoserine,bmse000058,3,176.7702,2.64
18588,O_succinyl_L_homoserine,bmse000058,4,64.4599,9.53
18589,O_succinyl_L_homoserine,bmse000058,5,55.5165,8.79
18590,O_succinyl_L_homoserine,bmse000058,6,35.6935,1.47
18591,O_succinyl_L_homoserine,bmse000058,7,34.6435,11.39
18592,O_succinyl_L_homoserine,bmse000058,8,33.1998,12.5
18593,O_succinyl_L_homoserine,bmse000058,9,32.0477,7.9
18594,phosphoenolpyruvic_acid,bmse000107,1,152.4983,4.37
18595,phosphoenolpyruvic_acid,bmse000107,2,152.4267,2.42
18596,phosphoenolpyruvic_acid,bmse000107,3,102.8677,10.91
18597,phosphoenolpyruvic_acid,bmse000107,4,102.8401,12.5
18598,prephenic_acid,bmse000108,1,134.012,12.19
18599,prephenic_acid,bmse000108,2,130.3553,12.5
18600,prephenic_acid,bmse000108,3,64.0727,7.77
18601,prephenic_acid,bmse000108,4,51.2462,2.5
18602,prephenic_acid,bmse000108,5,50.6545,5.86
18603,putrescine,bmse000109,1,41.551,11.73
18604,putrescine,bmse000109,2,26.5984,12.5
18605,pyridoxal,bmse000110,1,161.5671,1.78
18606,pyridoxal,bmse000110,2,148.0785,2.3
18607,pyridoxal,bmse000110,3,140.9568,3.28
18608,pyridoxal,bmse000110,4,139.5279,4.52
18609,pyridoxal,bmse000110,5,120.0727,6.07
18610,pyridoxal,bmse000110,6,102.0212,10.48
18611,pyridoxal,bmse000110,7,72.5072,12.5
18612,pyridoxal,bmse000110,8,17.5108,7.09
18613,pyridoxal_5_phosphate,bmse000111,1,198.7901,4.06
18614,pyridoxal_5_phosphate,bmse000111,2,154.2739,7.56
18615,pyridoxal_5_phosphate,bmse000111,3,139.0553,2.73
18616,pyridoxal_5_phosphate,bmse000111,4,138.9802,2.7
18617,pyridoxal_5_phosphate,bmse000111,5,128.8539,3.48
18618,pyridoxal_5_phosphate,bmse000111,6,126.7748,3.24
18619,pyridoxal_5_phosphate,bmse000111,7,91.4524,2.95
18620,pyridoxal_5_phosphate,bmse000111,8,64.4322,9.86
18621,pyridoxal_5_phosphate,bmse000111,9,64.3954,7.79
18622,pyridoxal_5_phosphate,bmse000111,10,18.7125,12.5
18623,pyridoxal_5_phosphate,bmse000111,11,17.3618,2.26
18624,pyridoxamine,bmse000130,1,165.5851,1.63
18625,pyridoxamine,bmse000130,2,148.1236,2.38
18626,pyridoxamine,bmse000130,3,138.2661,5.06
18627,pyridoxamine,bmse000130,4,134.7636,2.63
18628,pyridoxamine,bmse000130,5,126.6506,8.52
18629,pyridoxamine,bmse000130,6,61.8257,9.73
18630,pyridoxamine,bmse000130,7,39.2287,12.5
18631,pyridoxamine,bmse000130,8,18.1093,10.27
18632,pyridoxamine_5_phosphate,bmse000131,1,165.6996,3.42
18633,pyridoxamine_5_phosphate,bmse000131,2,147.3396,4.49
18634,pyridoxamine_5_phosphate,bmse000131,3,137.5932,4.37
18635,pyridoxamine_5_phosphate,bmse000131,4,137.5201,3.66
18636,pyridoxamine_5_phosphate,bmse000131,5,135.8735,6.9
18637,pyridoxamine_5_phosphate,bmse000131,6,125.9833,8.38
18638,pyridoxamine_5_phosphate,bmse000131,7,64.3374,8.14
18639,pyridoxamine_5_phosphate,bmse000131,8,64.2962,7.45
18640,pyridoxamine_5_phosphate,bmse000131,9,38.955,12.5
18641,pyridoxamine_5_phosphate,bmse000131,10,17.7372,11.91
18642,scyllo_inositol,bmse000113,1,76.2821,12.5
18643,shikimic_acid,bmse000114,1,178.0757,1.84
18644,shikimic_acid,bmse000114,2,138.7121,3.69
18645,shikimic_acid,bmse000114,3,133.2065,8.63
18646,shikimic_acid,bmse000114,4,74.7462,8.91
18647,shikimic_acid,bmse000114,5,69.5201,11.73
18648,shikimic_acid,bmse000114,6,68.9871,12.5
18649,shikimic_acid,bmse000114,7,35.3685,8.86
18650,D_sorbitol,bmse000115,1,75.6364,11.8
18651,D_sorbitol,bmse000115,2,73.7844,11.91
18652,D_sorbitol,bmse000115,3,73.6628,11.46
18653,D_sorbitol,bmse000115,4,72.3478,12.5
18654,D_sorbitol,bmse000115,5,65.5074,7.86
18655,D_sorbitol,bmse000115,6,65.1126,9.65
18656,spermidine,bmse000116,1,49.7685,12.5
18657,spermidine,bmse000116,2,47.255,9.6
18658,spermidine,bmse000116,3,41.5152,10.94
18659,spermidine,bmse000116,4,39.2998,10.61
18660,spermidine,bmse000116,5,26.64,10.09
18661,spermidine,bmse000116,6,26.5227,9.51
18662,spermidine,bmse000116,7,25.4882,11.59
18663,spermine,bmse000117,1,50.4642,10.16
18664,spermine,bmse000117,2,48.3361,12.5
18665,spermine,bmse000117,3,40.6981,12.1
18666,spermine,bmse000117,4,30.823,7.1
18667,spermine,bmse000117,5,27.6835,10.97
18668,succinic_acid,bmse000118,1,185.1648,1.78
18669,succinic_acid,bmse000118,2,36.8897,12.5
18670,sucrose,bmse000119,1,106.3887,6.15
18671,sucrose,bmse000119,2,94.8829,11.39
18672,sucrose,bmse000119,3,84.0666,11.94
18673,sucrose,bmse000119,4,79.0967,11.54
18674,sucrose,bmse000119,5,76.6892,12.13
18675,sucrose,bmse000119,6,75.2562,11.56
18676,sucrose,bmse000119,7,75.107,12.4
18677,sucrose,bmse000119,8,73.7694,11.94
18678,sucrose,bmse000119,9,71.9114,12.5
18679,sucrose,bmse000119,10,65.0741,11.11
18680,sucrose,bmse000119,11,64.0305,10.38
18681,sucrose,bmse000119,12,62.8059,9.96
18682,S_adenosyl_L_methionine,bmse000059,1,177.2049,1.06
18683,S_adenosyl_L_methionine,bmse000059,2,175.5374,3.57
18684,S_adenosyl_L_methionine,bmse000059,3,158.2573,4.07
18685,S_adenosyl_L_methionine,bmse000059,4,158.1473,1.23
18686,S_adenosyl_L_methionine,bmse000059,5,155.5574,8.68
18687,S_adenosyl_L_methionine,bmse000059,6,155.4871,3.71
18688,S_adenosyl_L_methionine,bmse000059,7,154.9459,1.28
18689,S_adenosyl_L_methionine,bmse000059,8,151.4918,1.4
18690,S_adenosyl_L_methionine,bmse000059,9,151.3094,4.84
18691,S_adenosyl_L_methionine,bmse000059,10,143.3489,7.53
18692,S_adenosyl_L_methionine,bmse000059,11,142.6447,2.96
18693,S_adenosyl_L_methionine,bmse000059,12,121.7408,3.05
18694,S_adenosyl_L_methionine,bmse000059,13,91.8,12.5
18695,S_adenosyl_L_methionine,bmse000059,14,90.1262,1.08
18696,S_adenosyl_L_methionine,bmse000059,15,90.0407,3.67
18697,S_adenosyl_L_methionine,bmse000059,16,85.9474,3.7
18698,S_adenosyl_L_methionine,bmse000059,17,81.4782,2.83
18699,S_adenosyl_L_methionine,bmse000059,18,80.8642,9.06
18700,S_adenosyl_L_methionine,bmse000059,19,76.1774,4.19
18701,S_adenosyl_L_methionine,bmse000059,20,75.6933,3.46
18702,S_adenosyl_L_methionine,bmse000059,21,75.4417,10.55
18703,S_adenosyl_L_methionine,bmse000059,22,75.2896,11.21
18704,S_adenosyl_L_methionine,bmse000059,23,75.2102,3.9
18705,S_adenosyl_L_methionine,bmse000059,24,75.0576,4.66
18706,S_adenosyl_L_methionine,bmse000059,25,61.3914,4.52
18707,S_adenosyl_L_methionine,bmse000059,26,60.181,3.6
18708,S_adenosyl_L_methionine,bmse000059,27,56.1328,4.11
18709,S_adenosyl_L_methionine,bmse000059,28,55.5398,11.64
18710,S_adenosyl_L_methionine,bmse000059,29,55.4732,3.85
18711,S_adenosyl_L_methionine,bmse000059,30,51.6245,1.02
18712,S_adenosyl_L_methionine,bmse000059,31,47.0027,7.3
18713,S_adenosyl_L_methionine,bmse000059,32,41.6503,2.53
18714,S_adenosyl_L_methionine,bmse000059,33,41.5608,8
18715,S_adenosyl_L_methionine,bmse000059,34,39.296,1.04
18716,S_adenosyl_L_methionine,bmse000059,35,38.5747,3.27
18717,S_adenosyl_L_methionine,bmse000059,36,34.9032,4.07
18718,S_adenosyl_L_methionine,bmse000059,37,28.138,8.12
18719,S_adenosyl_L_methionine,bmse000059,38,27.9802,2.58
18720,S_adenosyl_L_methionine,bmse000059,39,26.5384,1.05
18721,S_adenosyl_L_methionine,bmse000059,40,26.4688,3.89
18722,S_adenosyl_L_methionine,bmse000059,41,26.1398,11.37
18723,S_adenosyl_L_methionine,bmse000059,42,19.5416,3.82
18724,S_adenosyl_L_methionine,bmse000059,43,18.0425,2.93
18725,taurine,bmse000120,1,50.2124,12.5
18726,taurine,bmse000120,2,38.0682,11.7
18727,L_threitol,bmse000121,1,74.3047,12.5
18728,L_threitol,bmse000121,2,65.3263,12.42
18729,trans_4_hydroxy_L_proline,bmse000123,1,177.0263,1.29
18730,trans_4_hydroxy_L_proline,bmse000123,2,72.7686,12.34
18731,trans_4_hydroxy_L_proline,bmse000123,3,62.5265,8.41
18732,trans_4_hydroxy_L_proline,bmse000123,4,55.643,12.5
18733,trans_4_hydroxy_L_proline,bmse000123,5,40.1298,9.82
18734,trans_cinnamic_acid,bmse000124,1,143.5556,4.31
18735,trans_cinnamic_acid,bmse000124,2,137.8775,1.34
18736,trans_cinnamic_acid,bmse000124,3,132.3324,6.15
19310,FAD,bmse000226,22,49.8304,4.6
18737,trans_cinnamic_acid,bmse000124,4,131.6902,9.94
18738,trans_cinnamic_acid,bmse000124,5,130.4135,12.5
18739,trans_cinnamic_acid,bmse000124,6,126.8267,3.92
18740,D_trehalose,bmse000125,1,95.9171,12.5
18741,D_trehalose,bmse000125,2,75.2081,11.88
18742,D_trehalose,bmse000125,3,74.8491,10.1
18743,D_trehalose,bmse000125,4,73.7422,9.97
18744,D_trehalose,bmse000125,5,72.3894,11.58
18745,D_trehalose,bmse000125,6,63.2132,8.55
18746,uric_acid,bmse000126,1,167.6653,6.04
18747,uric_acid,bmse000126,2,165.3393,12.5
18748,uric_acid,bmse000126,3,162.2146,6.72
18749,uric_acid,bmse000126,4,156.4958,8.87
18750,uric_acid,bmse000126,5,104.5779,6.55
18751,xanthine,bmse000127,1,163.3303,1.9
18752,xanthine,bmse000127,2,161.9958,1.23
18753,xanthine,bmse000127,3,158.0123,1.54
18754,xanthine,bmse000127,4,142.7225,12.5
18755,xanthine,bmse000127,5,116.2503,1.15
18756,xanthosine,bmse000128,1,163.7475,1.41
18757,xanthosine,bmse000128,2,162.2764,1.3
18758,xanthosine,bmse000128,3,155.8547,2.56
18759,xanthosine,bmse000128,4,140.0607,9.27
18760,xanthosine,bmse000128,5,118.2068,1.28
18761,xanthosine,bmse000128,6,90.6608,11.73
18762,xanthosine,bmse000128,7,88.5324,12.41
18763,xanthosine,bmse000128,8,75.9737,12.5
18764,xanthosine,bmse000128,9,73.5577,11.03
18765,xanthosine,bmse000128,10,64.3556,8.81
18766,xylitol,bmse000129,1,74.6275,11.33
18767,xylitol,bmse000129,2,73.4743,6.7
18768,xylitol,bmse000129,3,65.3143,12.5
18769,tyramine,bmse000243,1,157.2984,1.41
18770,tyramine,bmse000243,2,132.9956,12.5
18771,tyramine,bmse000243,3,131.1649,2.03
18772,tyramine,bmse000243,4,118.5125,12.18
18773,tyramine,bmse000243,5,43.4518,5.34
18774,tyramine,bmse000243,6,34.6329,6.06
18775,L_carnosine,bmse000246,1,180.2008,3.84
18776,L_carnosine,bmse000246,2,174.3323,4.86
18777,L_carnosine,bmse000246,3,137.5197,9.53
18778,L_carnosine,bmse000246,4,134.6631,4.69
18779,L_carnosine,bmse000246,5,119.8491,10.48
18780,L_carnosine,bmse000246,6,57.5784,11.65
18781,L_carnosine,bmse000246,7,38.3703,11.44
18782,L_carnosine,bmse000246,8,34.7671,12.5
18783,L_carnosine,bmse000246,9,30.9947,9.98
18784,glycolate,bmse000245,1,182.6562,5.25
18785,glycolate,bmse000245,2,63.9098,12.5
18786,1_3_dimethylurea,bmse000248,1,29.1399,12.5
18787,D_glucosamine,bmse000247,1,96.7337,8.51
18788,D_glucosamine,bmse000247,2,92.4167,12.41
18789,D_glucosamine,bmse000247,3,78.843,9.89
18790,D_glucosamine,bmse000247,4,75.8685,8.3
18791,D_glucosamine,bmse000247,5,74.3489,12.5
18792,D_glucosamine,bmse000247,6,72.9419,11.22
18793,D_glucosamine,bmse000247,7,72.4037,9.8
18794,D_glucosamine,bmse000247,8,72.3301,12.04
18795,D_glucosamine,bmse000247,9,63.2894,7.62
18796,D_glucosamine,bmse000247,10,63.0782,11.08
18797,D_glucosamine,bmse000247,11,59.6847,8.44
18798,D_glucosamine,bmse000247,12,57.1428,11.73
18799,isethionic_acid,bmse000242,1,59.6397,12.02
18800,isethionic_acid,bmse000242,2,55.5295,12.5
18801,N_N_dimethylglycine,bmse000241,1,62.5717,6.55
18802,N_N_dimethylglycine,bmse000241,2,46.2286,12.5
18803,dihydroxyacetone,bmse000144,1,214.7833,3.78
18804,dihydroxyacetone,bmse000144,2,97.773,1.6
18805,dihydroxyacetone,bmse000144,3,66.2429,12.5
18806,N_acetyl_L_glutamine,bmse000145,1,181.3622,2.37
18807,N_acetyl_L_glutamine,bmse000145,2,181.1277,3.44
18808,N_acetyl_L_glutamine,bmse000145,3,176.3862,3.32
18809,N_acetyl_L_glutamine,bmse000145,4,57.3658,12.5
18810,N_acetyl_L_glutamine,bmse000145,5,34.4405,9.75
18811,N_acetyl_L_glutamine,bmse000145,6,30.4549,10.18
18812,N_acetyl_L_glutamine,bmse000145,7,24.6247,9.17
18813,ADA,bmse000146,1,180.0279,1.66
18814,ADA,bmse000146,2,60.0622,12.5
18815,ADA,bmse000146,3,59.955,1.44
18816,4_aminoantipyrine,bmse000147,1,144.7673,1.72
18817,4_aminoantipyrine,bmse000147,2,135.763,1.74
18818,4_aminoantipyrine,bmse000147,3,132.3952,12.5
18819,4_aminoantipyrine,bmse000147,4,131.8174,5.85
18820,4_aminoantipyrine,bmse000147,5,129.3212,12.35
18821,4_aminoantipyrine,bmse000147,6,37.2322,4.81
18822,4_aminoantipyrine,bmse000147,7,11.7408,4.42
18823,acetylcarnitine,bmse000142,1,179.354,4.03
18824,acetylcarnitine,bmse000142,2,175.4615,4.06
18825,acetylcarnitine,bmse000142,3,70.835,4.53
18826,acetylcarnitine,bmse000142,4,69.5734,12.5
18827,acetylcarnitine,bmse000142,5,56.5103,12.2
18828,acetylcarnitine,bmse000142,6,42.9071,9.73
18829,acetylcarnitine,bmse000142,7,23.3168,9.11
18830,5_acetylamido_2_chloroaniline,bmse000143,1,139.2064,3.06
18831,5_acetylamido_2_chloroaniline,bmse000143,2,132.3826,12.5
18832,5_acetylamido_2_chloroaniline,bmse000143,3,116.2078,11.5
18833,5_acetylamido_2_chloroaniline,bmse000143,4,112.9825,11.85
18834,5_acetylamido_2_chloroaniline,bmse000143,5,25.522,8.76
18835,uracil,bmse000187,1,170.2202,1.35
18836,uracil,bmse000187,2,146.2032,10.52
18837,uracil,bmse000187,3,103.7407,12.5
18838,cytidine,bmse000190,1,168.8862,2.92
18839,cytidine,bmse000190,2,160.3399,2.39
18840,cytidine,bmse000190,3,144.3268,8.93
18841,cytidine,bmse000190,4,98.9421,9.02
18842,cytidine,bmse000190,5,92.9764,11.59
18843,cytidine,bmse000190,6,86.4726,11.93
18844,cytidine,bmse000190,7,76.6665,12.26
18845,cytidine,bmse000190,8,71.9801,12.5
18846,cytidine,bmse000190,9,63.4255,9.89
18847,propionic_acid,bmse000179,1,187.7472,2.27
18848,propionic_acid,bmse000179,2,33.4143,12.5
18849,propionic_acid,bmse000179,3,12.8911,11.53
18850,cytosine,bmse000180,1,170.1095,1.09
18851,cytosine,bmse000180,2,145.8461,10.28
18852,cytosine,bmse000180,3,97.8181,12.5
18853,3_hydroxybutyrate,bmse000161,1,183.1934,2.18
18854,3_hydroxybutyrate,bmse000161,2,68.3994,9.53
18855,3_hydroxybutyrate,bmse000161,3,49.2195,12.5
18856,3_hydroxybutyrate,bmse000161,4,24.4317,11.28
18857,sarcosine,bmse000160,1,174.1787,1.69
18858,sarcosine,bmse000160,2,53.5151,12.5
18859,sarcosine,bmse000160,3,35.3495,10.56
18860,beta_alanine,bmse000159,1,181.1398,1.61
18861,beta_alanine,bmse000159,2,39.2339,9.51
18862,beta_alanine,bmse000159,3,36.2855,12.5
18863,uridine,bmse000158,1,169.0394,2.54
18864,uridine,bmse000158,2,154.4569,2.08
18865,uridine,bmse000158,3,144.529,8.58
18866,uridine,bmse000158,4,104.9743,9.81
18867,uridine,bmse000158,5,92.0363,11.1
18868,uridine,bmse000158,6,86.9005,11.88
18869,uridine,bmse000158,7,76.3651,11.81
18870,uridine,bmse000158,8,72.0985,12.5
18871,uridine,bmse000158,9,63.4211,9.74
18872,N_acetyl_L_alanine,bmse000157,1,183.142,2.18
18873,N_acetyl_L_alanine,bmse000157,2,176.0277,2.41
18874,N_acetyl_L_alanine,bmse000157,3,53.6895,12.5
18875,N_acetyl_L_alanine,bmse000157,4,24.5618,8.98
18876,N_acetyl_L_alanine,bmse000157,5,20.0042,11.11
18877,trimethyl_phosphonoacetate,bmse000156,1,56.6257,8.02
18878,trimethyl_phosphonoacetate,bmse000156,2,56.5607,8.02
18879,trimethyl_phosphonoacetate,bmse000156,3,55.9903,12.5
18880,creatinine,bmse000155,1,191.713,2.26
18881,creatinine,bmse000155,2,59.1239,12.5
18882,creatinine,bmse000155,3,58.8527,2.53
18883,creatinine,bmse000155,4,58.6295,1.96
18884,creatinine,bmse000155,5,32.9001,9.73
18885,4_2_aminoethyl_morpholine,bmse000154,1,68.8872,12.21
18886,4_2_aminoethyl_morpholine,bmse000154,2,56.9694,6.45
18887,4_2_aminoethyl_morpholine,bmse000154,3,55.1945,12.5
18888,4_2_aminoethyl_morpholine,bmse000154,4,38.3707,5.31
18889,L_methionine_methylsulfonium_iodide,bmse000153,1,176.1278,2.46
18890,L_methionine_methylsulfonium_iodide,bmse000153,2,55.6328,12.37
18891,L_methionine_methylsulfonium_iodide,bmse000153,3,42.2714,10.53
18892,L_methionine_methylsulfonium_iodide,bmse000153,4,28.1127,10.06
18893,L_methionine_methylsulfonium_iodide,bmse000153,5,27.4753,11.87
18894,L_methionine_methylsulfonium_iodide,bmse000153,6,27.4428,12.5
18895,trigonelline,bmse000152,1,170.5429,1.63
18896,trigonelline,bmse000152,2,148.7294,3.53
18897,trigonelline,bmse000152,3,148.5432,3.12
18898,trigonelline,bmse000152,4,147.4509,9.81
18899,trigonelline,bmse000152,5,139.591,3.58
18900,trigonelline,bmse000152,6,130.3808,12.5
18901,trigonelline,bmse000152,7,50.9868,3.8
18902,L_kynurenine,bmse000172,1,202.7838,4.18
18903,L_kynurenine,bmse000172,2,176.9655,3.82
18904,L_kynurenine,bmse000172,3,153.0281,3.8
18905,L_kynurenine,bmse000172,4,138.3201,10.63
18906,L_kynurenine,bmse000172,5,134.0077,10.47
18907,L_kynurenine,bmse000172,6,120.7487,12.5
18908,L_kynurenine,bmse000172,7,120.1347,3.19
18909,L_kynurenine,bmse000172,8,119.5469,11.71
18910,L_kynurenine,bmse000172,9,53.4373,9.6
18911,L_kynurenine,bmse000172,10,53.3893,1.75
18912,L_kynurenine,bmse000172,11,41.6724,9.4
18913,4_hydroxyphenethyl_alcohol,bmse000173,1,156.5231,1.3
18914,4_hydroxyphenethyl_alcohol,bmse000173,2,133.6531,2.03
18915,4_hydroxyphenethyl_alcohol,bmse000173,3,133.0108,12.05
18916,4_hydroxyphenethyl_alcohol,bmse000173,4,118.0973,12.5
18917,4_hydroxyphenethyl_alcohol,bmse000173,5,65.4628,5.4
18918,4_hydroxyphenethyl_alcohol,bmse000173,6,39.6054,5.27
18919,L_glutathione_oxidized,bmse000170,1,179.0431,5.08
18920,L_glutathione_oxidized,bmse000170,2,177.7295,7.27
18921,L_glutathione_oxidized,bmse000170,3,176.8436,5.71
18922,L_glutathione_oxidized,bmse000170,4,174.576,7.14
18923,L_glutathione_oxidized,bmse000170,5,56.7983,12.5
18924,L_glutathione_oxidized,bmse000170,6,55.2962,6.93
18925,L_glutathione_oxidized,bmse000170,7,46.1769,10
18926,L_glutathione_oxidized,bmse000170,8,41.3939,5.3
18927,L_glutathione_oxidized,bmse000170,9,34.0976,8.71
18928,L_glutathione_oxidized,bmse000170,10,28.9834,9.22
18929,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,1,137.9087,2.24
18930,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,2,137.8673,2.37
18931,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,3,131.376,12.5
18932,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,4,131.3613,12.49
18933,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,5,130.699,5.71
19023,L-ascorbate,bmse000182,1,180.3168,1.43
18934,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,6,130.6797,5.71
18935,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,7,130.3647,10.88
18936,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,8,130.3201,11.19
18937,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,9,58.3213,5.52
18938,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,10,57.0571,5.41
18939,2_amino_5_ethyl_1_3_4_thiadiazole,bmse000176,1,168.4472,1.23
18940,2_amino_5_ethyl_1_3_4_thiadiazole,bmse000176,2,25.8692,12.5
18941,2_amino_5_ethyl_1_3_4_thiadiazole,bmse000176,3,15.8228,11.49
18942,indole_3_acetic_acid,bmse000177,1,184.4014,2.14
18943,indole_3_acetic_acid,bmse000177,2,138.8639,1.78
18944,indole_3_acetic_acid,bmse000177,3,129.8341,1.84
18945,indole_3_acetic_acid,bmse000177,4,126.7302,9.37
18946,indole_3_acetic_acid,bmse000177,5,124.4124,12.5
18947,indole_3_acetic_acid,bmse000177,6,121.7961,11.6
18948,indole_3_acetic_acid,bmse000177,7,121.3961,11.96
18949,indole_3_acetic_acid,bmse000177,8,114.4077,11.75
18950,indole_3_acetic_acid,bmse000177,9,113.0393,2.26
18951,indole_3_acetic_acid,bmse000177,10,36.6627,11.8
18952,5_acetylamino_2_nitrobenzoic_acid,bmse000174,1,177.1121,2.86
18953,5_acetylamino_2_nitrobenzoic_acid,bmse000174,2,175.8429,2.97
18954,5_acetylamino_2_nitrobenzoic_acid,bmse000174,3,146.1205,4.91
18955,5_acetylamino_2_nitrobenzoic_acid,bmse000174,4,142.1751,2.25
18956,5_acetylamino_2_nitrobenzoic_acid,bmse000174,5,140.3992,5.19
18957,5_acetylamino_2_nitrobenzoic_acid,bmse000174,6,135.1671,1.17
18958,5_acetylamino_2_nitrobenzoic_acid,bmse000174,7,128.5755,12.5
18959,5_acetylamino_2_nitrobenzoic_acid,bmse000174,8,122.2003,7.85
18960,5_acetylamino_2_nitrobenzoic_acid,bmse000174,9,120.5307,8.5
18961,5_acetylamino_2_nitrobenzoic_acid,bmse000174,10,26.0734,7.9
18962,inosine_5_monophosphate,bmse000175,1,161.425,3.75
18963,inosine_5_monophosphate,bmse000175,2,151.4802,4.81
18964,inosine_5_monophosphate,bmse000175,3,149.0993,9.26
18965,inosine_5_monophosphate,bmse000175,4,142.6513,8.28
18966,inosine_5_monophosphate,bmse000175,5,126.224,3.55
18967,inosine_5_monophosphate,bmse000175,6,90.0513,11.57
18968,inosine_5_monophosphate,bmse000175,7,87.5897,6.17
18969,inosine_5_monophosphate,bmse000175,8,87.5029,6.25
18970,inosine_5_monophosphate,bmse000175,9,77.4723,12.43
18971,inosine_5_monophosphate,bmse000175,10,73.3415,12.5
18972,inosine_5_monophosphate,bmse000175,11,66.1817,4.69
18973,inosine_5_monophosphate,bmse000175,12,66.1371,4.9
18974,acetylcholine,bmse000168,1,175.9351,1.7
18975,acetylcholine,bmse000168,2,67.2352,3.17
18976,acetylcholine,bmse000168,3,67.2022,3.69
18977,acetylcholine,bmse000168,4,67.1693,3.21
18978,acetylcholine,bmse000168,5,61.0489,9.91
18979,acetylcholine,bmse000168,6,56.5037,10.75
18980,acetylcholine,bmse000168,7,56.4653,12.5
18981,acetylcholine,bmse000168,8,56.4269,11.09
18982,acetylcholine,bmse000168,9,22.907,5.01
18983,L_selenomethionine,bmse000169,1,177.0007,2.6
18984,L_selenomethionine,bmse000169,2,57.4374,11.47
18985,L_selenomethionine,bmse000169,3,33.6291,11.68
18986,L_selenomethionine,bmse000169,4,21.9577,12.5
18987,L_selenomethionine,bmse000169,5,5.9908,6.84
18988,L_carnitine,bmse000211,1,180.7932,2.55
18989,L_carnitine,bmse000211,2,72.8484,3.55
18990,L_carnitine,bmse000211,3,72.8194,4.35
18991,L_carnitine,bmse000211,4,72.7905,3.77
18992,L_carnitine,bmse000211,5,66.787,9.83
18993,L_carnitine,bmse000211,6,56.8352,10.16
18994,L_carnitine,bmse000211,7,56.7971,12.5
18995,L_carnitine,bmse000211,8,56.7587,10.72
18996,L_carnitine,bmse000211,9,45.6836,6.68
18997,2_deoxyguanosine_5_triphosphate,bmse000210,1,161.5994,4.1
18998,2_deoxyguanosine_5_triphosphate,bmse000210,2,156.5483,6.62
18999,2_deoxyguanosine_5_triphosphate,bmse000210,3,153.9201,3.76
19000,2_deoxyguanosine_5_triphosphate,bmse000210,4,140.177,4.97
19001,2_deoxyguanosine_5_triphosphate,bmse000210,5,118.7094,3.56
19002,2_deoxyguanosine_5_triphosphate,bmse000210,6,88.3356,4.95
19003,2_deoxyguanosine_5_triphosphate,bmse000210,7,88.2497,5.03
19004,2_deoxyguanosine_5_triphosphate,bmse000210,8,86.1217,10.42
19005,2_deoxyguanosine_5_triphosphate,bmse000210,9,85.9663,1.24
19006,2_deoxyguanosine_5_triphosphate,bmse000210,10,73.5912,12.5
19007,2_deoxyguanosine_5_triphosphate,bmse000210,11,73.4257,1.36
19008,2_deoxyguanosine_5_triphosphate,bmse000210,12,68.0836,4.3
19009,2_deoxyguanosine_5_triphosphate,bmse000210,13,68.0298,4.01
19010,2_deoxyguanosine_5_triphosphate,bmse000210,14,60.1564,2.92
19011,2_deoxyguanosine_5_triphosphate,bmse000210,15,41.4696,9.7
19012,2_deoxyguanosine_5_triphosphate,bmse000210,16,19.5226,3.19
19013,L_glutathione_reduced,bmse000185,1,179.0844,3.34
19014,L_glutathione_reduced,bmse000185,2,177.7381,6.24
19015,L_glutathione_reduced,bmse000185,3,176.8762,4.09
19016,L_glutathione_reduced,bmse000185,4,174.517,4.49
19017,L_glutathione_reduced,bmse000185,5,58.485,9.28
19018,L_glutathione_reduced,bmse000185,6,56.8252,12.5
19019,L_glutathione_reduced,bmse000185,7,46.0594,11.98
19020,L_glutathione_reduced,bmse000185,8,34.0617,10.25
19021,L_glutathione_reduced,bmse000185,9,28.9279,10.05
19022,L_glutathione_reduced,bmse000185,10,28.2991,8.79
19024,L-ascorbate,bmse000182,2,178.4832,2.74
19025,L-ascorbate,bmse000182,3,115.802,1.21
19026,L-ascorbate,bmse000182,4,81.1004,12.5
19027,L-ascorbate,bmse000182,5,72.2534,11.82
19028,L-ascorbate,bmse000182,6,65.2522,10.99
19029,glycerol,bmse000184,1,74.7687,5.34
19030,glycerol,bmse000184,2,65.1855,12.5
19031,succinic_acid,bmse000183,1,185.1723,12.5
19032,diethyl_oxalacetate,bmse000148,1,175.4103,2.81
19033,diethyl_oxalacetate,bmse000148,2,174.3091,2.64
19034,diethyl_oxalacetate,bmse000148,3,173.4326,3.11
19035,diethyl_oxalacetate,bmse000148,4,168.1048,3.57
19036,diethyl_oxalacetate,bmse000148,5,163.0751,2.84
19037,diethyl_oxalacetate,bmse000148,6,107.9727,2.93
19038,diethyl_oxalacetate,bmse000148,7,66.4032,12.5
19039,diethyl_oxalacetate,bmse000148,8,64.8073,11.65
19040,diethyl_oxalacetate,bmse000148,9,63.2252,12.35
19041,diethyl_oxalacetate,bmse000148,10,60.1425,6.53
19042,diethyl_oxalacetate,bmse000148,11,19.5054,7.69
19043,diethyl_oxalacetate,bmse000148,12,16.4349,10.31
19044,diethyl_oxalacetate,bmse000148,13,16.0264,10.85
19045,diethyl_oxalacetate,bmse000148,14,15.8307,11.05
19046,diethyl_oxalacetate,bmse000148,15,8.3719,1.46
19047,methyl_4_aminobutyrate,bmse000249,1,178.332,2.3
19048,methyl_4_aminobutyrate,bmse000249,2,55.0318,9.91
19049,methyl_4_aminobutyrate,bmse000249,3,41.3931,9.31
19050,methyl_4_aminobutyrate,bmse000249,4,33.2371,12.5
19051,methyl_4_aminobutyrate,bmse000249,5,24.7364,10.01
19052,acetic_acid,bmse000191,1,25.9921,12.5
19053,DL_alpha_glycerol_phosphate,bmse000193,1,74.017,6.6
19054,DL_alpha_glycerol_phosphate,bmse000193,2,73.9509,6.61
19055,DL_alpha_glycerol_phosphate,bmse000193,3,67.5764,6.42
19056,DL_alpha_glycerol_phosphate,bmse000193,4,67.5279,6.33
19057,DL_alpha_glycerol_phosphate,bmse000193,5,64.9909,12.5
19058,L_arginine_L_glutamate,bmse000194,1,184.0271,2.62
19059,L_arginine_L_glutamate,bmse000194,2,177.3004,2.69
19060,L_arginine_L_glutamate,bmse000194,3,177.2486,3.51
19061,L_arginine_L_glutamate,bmse000194,4,159.5217,1.58
19062,L_arginine_L_glutamate,bmse000194,5,57.3276,11.34
19063,L_arginine_L_glutamate,bmse000194,6,56.9877,12.33
19064,L_arginine_L_glutamate,bmse000194,7,43.187,10.69
19065,L_arginine_L_glutamate,bmse000194,8,36.1773,12.5
19066,L_arginine_L_glutamate,bmse000194,9,30.2821,11.31
19067,L_arginine_L_glutamate,bmse000194,10,29.6813,11.66
19068,L_arginine_L_glutamate,bmse000194,11,26.565,9.36
19069,N_alpha_acetyl_DL_ornithine,bmse000195,1,181.278,2.84
19070,N_alpha_acetyl_DL_ornithine,bmse000195,2,176.3942,3.3
19071,N_alpha_acetyl_DL_ornithine,bmse000195,3,57.2647,12.5
19072,N_alpha_acetyl_DL_ornithine,bmse000195,4,41.7026,11.36
19073,N_alpha_acetyl_DL_ornithine,bmse000195,5,31.2562,11.58
19074,N_alpha_acetyl_DL_ornithine,bmse000195,6,26.1175,10.85
19075,N_alpha_acetyl_DL_ornithine,bmse000195,7,24.6039,9.43
19076,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,1,177.1802,4.22
19077,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,2,100.7816,12.14
19078,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,3,74.3693,12.5
19079,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,4,73.8173,11.87
19080,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,5,72.6604,11.86
19081,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,6,63.2442,9.78
19082,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,7,57.84,10.7
19083,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,8,56.3295,11.36
19084,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,9,24.5939,9.03
19085,N_acetyl_D_glucosamine_1_phosphate,bmse000197,1,177.4262,6.89
19086,N_acetyl_D_glucosamine_1_phosphate,bmse000197,2,95.5064,6.59
19087,N_acetyl_D_glucosamine_1_phosphate,bmse000197,3,95.4519,6.61
19088,N_acetyl_D_glucosamine_1_phosphate,bmse000197,4,74.8112,12.48
19089,N_acetyl_D_glucosamine_1_phosphate,bmse000197,5,74.1248,11.53
19090,N_acetyl_D_glucosamine_1_phosphate,bmse000197,6,72.717,12.5
19091,N_acetyl_D_glucosamine_1_phosphate,bmse000197,7,63.3991,10.48
19092,N_acetyl_D_glucosamine_1_phosphate,bmse000197,8,60.1385,1.19
19093,N_acetyl_D_glucosamine_1_phosphate,bmse000197,9,56.8941,6.31
19094,N_acetyl_D_glucosamine_1_phosphate,bmse000197,10,56.82,5.92
19095,N_acetyl_D_glucosamine_1_phosphate,bmse000197,11,24.8547,11.82
19096,N_acetyl_D_glucosamine_1_phosphate,bmse000197,12,19.5064,1.35
19097,6_phosphogluconic_acid,bmse000198,1,181.6058,3.57
19098,6_phosphogluconic_acid,bmse000198,2,76.871,10.24
19099,6_phosphogluconic_acid,bmse000198,3,74.5728,12.34
19100,6_phosphogluconic_acid,bmse000198,4,73.5923,12.5
19101,6_phosphogluconic_acid,bmse000198,5,73.3427,6.13
19102,6_phosphogluconic_acid,bmse000198,6,73.2817,6
19103,6_phosphogluconic_acid,bmse000198,7,67.8378,5.3
19104,6_phosphogluconic_acid,bmse000198,8,67.7897,5.02
19105,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,1,177.4856,7.09
19106,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,2,169.018,6.26
19107,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,3,154.5678,4.71
19108,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,4,144.3458,8.41
19109,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,5,105.3664,9.76
19110,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,6,97.2217,5.52
19309,FAD,bmse000226,21,72.0204,7.14
19111,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,7,97.1586,5.3
19112,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,8,91.2324,10.4
19113,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,9,85.9265,5.45
19114,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,10,85.8356,5.37
19115,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,11,76.5038,12.5
19116,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,12,75.7265,10.47
19117,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,13,73.618,9.4
19118,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,14,72.3363,12.03
19119,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,15,72.1894,10.68
19120,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,16,67.7104,4.06
19121,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,17,67.6547,4.21
19122,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,18,63.011,8.29
19123,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,19,56.4123,4.85
19124,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,20,56.3279,4.86
19125,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,21,24.8017,11.06
19126,D_glucosamine_6_phosphate,bmse000189,1,96.7641,3.96
19127,D_glucosamine_6_phosphate,bmse000189,2,92.5468,9.11
19128,D_glucosamine_6_phosphate,bmse000189,3,78.573,7.72
19129,D_glucosamine_6_phosphate,bmse000189,4,78.5029,8.09
19130,D_glucosamine_6_phosphate,bmse000189,5,75.3,3.82
19131,D_glucosamine_6_phosphate,bmse000189,6,74.241,8.9
19132,D_glucosamine_6_phosphate,bmse000189,7,74.1735,8.79
19133,D_glucosamine_6_phosphate,bmse000189,8,72.61,7.6
19134,D_glucosamine_6_phosphate,bmse000189,9,72.216,8.01
19135,D_glucosamine_6_phosphate,bmse000189,10,72.0861,11.81
19136,D_glucosamine_6_phosphate,bmse000189,11,65.6945,5.67
19137,D_glucosamine_6_phosphate,bmse000189,12,65.5318,8.2
19138,D_glucosamine_6_phosphate,bmse000189,13,59.9922,8.37
19139,D_glucosamine_6_phosphate,bmse000189,14,57.442,12.5
19140,N_acetyl_D_glucosamine_6_phosphate,bmse000205,1,177.6459,3.99
19141,N_acetyl_D_glucosamine_6_phosphate,bmse000205,2,177.3558,6.21
19142,N_acetyl_D_glucosamine_6_phosphate,bmse000205,3,97.9785,9.64
19143,N_acetyl_D_glucosamine_6_phosphate,bmse000205,4,93.8355,12.5
19144,N_acetyl_D_glucosamine_6_phosphate,bmse000205,5,78.3788,4.55
19145,N_acetyl_D_glucosamine_6_phosphate,bmse000205,6,78.3082,5
19146,N_acetyl_D_glucosamine_6_phosphate,bmse000205,7,76.3335,8.77
19147,N_acetyl_D_glucosamine_6_phosphate,bmse000205,8,74.1312,5.77
19148,N_acetyl_D_glucosamine_6_phosphate,bmse000205,9,74.0636,5.71
19149,N_acetyl_D_glucosamine_6_phosphate,bmse000205,10,73.273,9.62
19150,N_acetyl_D_glucosamine_6_phosphate,bmse000205,11,72.5985,6.43
19151,N_acetyl_D_glucosamine_6_phosphate,bmse000205,12,72.4066,4.3
19152,N_acetyl_D_glucosamine_6_phosphate,bmse000205,13,65.8183,6.34
19153,N_acetyl_D_glucosamine_6_phosphate,bmse000205,14,59.7314,6.92
19154,N_acetyl_D_glucosamine_6_phosphate,bmse000205,15,57.09,11.32
19155,N_acetyl_D_glucosamine_6_phosphate,bmse000205,16,25.09,7.17
19156,N_acetyl_D_glucosamine_6_phosphate,bmse000205,17,24.8284,8.82
19157,N_acetyl_D_glucosamine_6_phosphate,bmse000205,18,24.6366,2.13
19158,N_acetyl_D_glucosamine_6_phosphate,bmse000205,19,8.3826,2.3
19159,formate,bmse000203,1,173.8915,12.5
19160,HEPES,bmse000202,1,60.8048,5.44
19161,HEPES,bmse000202,2,58.5772,7.51
19162,HEPES,bmse000202,3,54.5149,8.11
19163,HEPES,bmse000202,4,54.0844,12.5
19164,HEPES,bmse000202,5,52.383,11.07
19165,HEPES,bmse000202,6,50.0053,7.83
19166,D_citrulline,bmse000209,1,177.3935,5.6
19167,D_citrulline,bmse000209,2,164.2858,1.35
19168,D_citrulline,bmse000209,3,57.1942,10.87
19169,D_citrulline,bmse000209,4,41.9172,1.9
19170,D_citrulline,bmse000209,5,30.442,12.5
19171,D_citrulline,bmse000209,6,27.6603,6.22
19172,tryptamine,bmse000207,1,139.1467,1.96
19173,tryptamine,bmse000207,2,129.1548,2.05
19174,tryptamine,bmse000207,3,127.0515,9.42
19175,tryptamine,bmse000207,4,124.8771,12.23
19176,tryptamine,bmse000207,5,122.1292,11.7
19177,tryptamine,bmse000207,6,121.0332,11.62
19178,tryptamine,bmse000207,7,114.7782,11.66
19179,tryptamine,bmse000207,8,111.7871,2.5
19180,tryptamine,bmse000207,9,42.4461,10.28
19181,tryptamine,bmse000207,10,25.3872,12.5
19182,caffeine,bmse000206,1,158.3677,2.3
19183,caffeine,bmse000206,2,154.8444,2.1
19184,caffeine,bmse000206,3,150.6943,2.53
19185,caffeine,bmse000206,4,146.1726,12.5
19186,caffeine,bmse000206,5,109.992,1.93
19187,caffeine,bmse000206,6,36.1671,12
19188,caffeine,bmse000206,7,32.5176,11.72
19189,caffeine,bmse000206,8,30.6092,12.15
19190,DL_serine,bmse000222,1,175.1858,1.49
19191,DL_serine,bmse000222,2,62.8818,12.5
19192,DL_serine,bmse000222,3,59.0696,9.18
19193,kanamycin,bmse000201,1,103.0882,11.25
19194,kanamycin,bmse000201,2,99.3708,11.19
19195,kanamycin,bmse000201,3,87.4547,11.03
19196,kanamycin,bmse000201,4,82.3518,10.12
19197,kanamycin,bmse000201,5,76.1335,11.05
19198,kanamycin,bmse000201,6,75.2746,11.27
19199,kanamycin,bmse000201,7,74.8051,11.96
19200,kanamycin,bmse000201,8,73.8216,11.92
19201,kanamycin,bmse000201,9,73.7132,12.5
19202,kanamycin,bmse000201,10,71.3274,11.8
19203,kanamycin,bmse000201,11,71.2135,10.89
19204,kanamycin,bmse000201,12,68.4669,11.25
19205,kanamycin,bmse000201,13,62.5738,8.79
19206,kanamycin,bmse000201,14,57.6876,10.31
19207,kanamycin,bmse000201,15,52.8142,10.87
19208,kanamycin,bmse000201,16,50.8624,10.67
19209,kanamycin,bmse000201,17,43.1772,9.79
19210,kanamycin,bmse000201,18,32.4006,6.43
19211,D_galacturonic_acid,bmse000216,1,178.7328,1.92
19212,D_galacturonic_acid,bmse000216,2,177.8683,2.95
19213,D_galacturonic_acid,bmse000216,3,103.6266,1.14
19214,D_galacturonic_acid,bmse000216,4,98.6973,11.64
19215,D_galacturonic_acid,bmse000216,5,94.8821,8.1
19216,D_galacturonic_acid,bmse000216,6,86.1096,1.16
19217,D_galacturonic_acid,bmse000216,7,83.8927,1.25
19218,D_galacturonic_acid,bmse000216,8,78.2191,12.5
19219,D_galacturonic_acid,bmse000216,9,75.5921,12.15
19220,D_galacturonic_acid,bmse000216,10,74.2733,11.54
19221,D_galacturonic_acid,bmse000216,11,74.0687,8.3
19222,D_galacturonic_acid,bmse000216,12,73.5175,7.92
19223,D_galacturonic_acid,bmse000216,13,73.4128,1.2
19224,D_galacturonic_acid,bmse000216,14,73.0403,11.9
19225,D_galacturonic_acid,bmse000216,15,72.0425,8.11
19226,D_galacturonic_acid,bmse000216,16,70.7295,8.19
19227,melibiose,bmse000215,1,100.9074,4.94
19228,melibiose,bmse000215,2,100.8624,8.18
19229,melibiose,bmse000215,3,98.7735,7.77
19230,melibiose,bmse000215,4,94.8936,4.8
19231,melibiose,bmse000215,5,78.5818,7.92
19232,melibiose,bmse000215,6,77.0481,7.86
19233,melibiose,bmse000215,7,76.7432,7.91
19234,melibiose,bmse000215,8,75.641,4.51
19235,melibiose,bmse000215,9,74.115,4.66
19236,melibiose,bmse000215,10,73.6521,8.63
19237,melibiose,bmse000215,11,72.7897,4.38
19238,melibiose,bmse000215,12,72.2675,4.58
19239,melibiose,bmse000215,13,72.1681,11.13
19240,melibiose,bmse000215,14,72.1168,8.41
19241,melibiose,bmse000215,15,71.8969,12.5
19242,melibiose,bmse000215,16,71.1809,5.01
19243,melibiose,bmse000215,17,71.1499,8
19244,melibiose,bmse000215,18,68.5997,3.4
19245,melibiose,bmse000215,19,68.5048,5.74
19246,melibiose,bmse000215,20,63.7993,7.48
19247,raffinose,bmse000221,1,106.4984,12
19248,raffinose,bmse000221,2,101.1619,11.75
19249,raffinose,bmse000221,3,94.8107,10.5
19250,raffinose,bmse000221,4,84.0386,10.37
19251,raffinose,bmse000221,5,78.9908,10.66
19252,raffinose,bmse000221,6,76.6708,10.74
19253,raffinose,bmse000221,7,75.3481,10.62
19254,raffinose,bmse000221,8,74.0893,10.03
19255,raffinose,bmse000221,9,73.7298,10.76
19256,raffinose,bmse000221,10,73.6491,10.76
19257,raffinose,bmse000221,11,72.1375,11.45
19258,raffinose,bmse000221,12,72.0811,10.61
19259,raffinose,bmse000221,13,71.8977,12.5
19260,raffinose,bmse000221,14,71.1782,10.63
19261,raffinose,bmse000221,15,68.5609,7.4
19262,raffinose,bmse000221,16,65.174,9.27
19263,raffinose,bmse000221,17,64.0591,8.59
19264,raffinose,bmse000221,18,63.8064,10.78
19265,phenylacetic_acid,bmse000220,1,140.0132,1.48
19266,phenylacetic_acid,bmse000220,2,131.8678,12.4
19267,phenylacetic_acid,bmse000220,3,131.3739,12.5
19268,phenylacetic_acid,bmse000220,4,129.1624,7.27
19269,phenylacetic_acid,bmse000220,5,47.1763,7.68
19270,quinolinic_acid,bmse000219,1,151.0633,4.64
19271,quinolinic_acid,bmse000219,2,139.9295,12.5
19272,quinolinic_acid,bmse000219,3,134.2225,1.66
19273,quinolinic_acid,bmse000219,4,126.3609,1.43
19274,L_arabinose,bmse000213,1,99.4707,11.84
19275,L_arabinose,bmse000213,2,95.2773,6.36
19276,L_arabinose,bmse000213,3,85.6557,1.01
19277,L_arabinose,bmse000213,4,75.1558,12.46
19278,L_arabinose,bmse000213,5,74.5445,11.65
19279,L_arabinose,bmse000213,6,71.3975,5.23
19280,L_arabinose,bmse000213,7,71.291,6.33
19281,L_arabinose,bmse000213,8,71.19,12.5
19282,L_arabinose,bmse000213,9,71.1316,6.46
19283,L_arabinose,bmse000213,10,69.092,10.76
19284,L_arabinose,bmse000213,11,65.1629,5.63
19285,L_arabinose,bmse000213,12,63.7809,1.01
19286,maleic_acid,bmse000212,1,178.0156,12.5
19287,maleic_acid,bmse000212,2,138.0455,2.52
19288,trimethylamine,bmse000224,1,47.3627,12.5
19289,FAD,bmse000226,1,164.0687,6.03
19290,FAD,bmse000226,2,160.4644,6.44
19291,FAD,bmse000226,3,157.4008,5.27
19292,FAD,bmse000226,4,155.0401,6.79
19293,FAD,bmse000226,5,153.2024,6.31
19294,FAD,bmse000226,6,152.7018,4.88
19295,FAD,bmse000226,7,150.7506,8.42
19296,FAD,bmse000226,8,141.8033,9.25
19297,FAD,bmse000226,9,137.3022,7.38
19298,FAD,bmse000226,10,136.7199,6.9
19299,FAD,bmse000226,11,134.1126,5.24
19300,FAD,bmse000226,12,133.1145,6.31
19301,FAD,bmse000226,13,120.4006,4.97
19302,FAD,bmse000226,14,119.1392,5.98
19303,FAD,bmse000226,15,89.8286,8.42
19304,FAD,bmse000226,16,86.1706,4.9
19305,FAD,bmse000226,17,77.5902,9.53
19306,FAD,bmse000226,18,75.1902,7.63
19307,FAD,bmse000226,19,73.8874,4.74
19308,FAD,bmse000226,20,72.6742,9.77
19311,FAD,bmse000226,23,23.4503,12.23
19312,FAD,bmse000226,24,21.3064,12.5
19313,biotin,bmse000227,1,186.5202,3.08
19314,biotin,bmse000227,2,168.1155,1.31
19315,biotin,bmse000227,3,64.7083,11.47
19316,biotin,bmse000227,4,62.9655,10.94
19317,biotin,bmse000227,5,58.0656,12.5
19318,biotin,bmse000227,6,42.4481,10.02
19319,biotin,bmse000227,7,40.0331,11.31
19320,biotin,bmse000227,8,30.9897,10.73
19321,biotin,bmse000227,9,30.4007,10.87
19322,biotin,bmse000227,10,28.3888,11.03
19323,L_malic_acid,bmse000238,1,183.7653,2.22
19324,L_malic_acid,bmse000238,2,182.5621,2.11
19325,L_malic_acid,bmse000238,3,73.0565,11
19326,L_malic_acid,bmse000238,4,45.325,12.5
19327,DL_pipecolic_acid,bmse000237,1,177.3687,2.02
19328,DL_pipecolic_acid,bmse000237,2,61.7014,10.46
19329,DL_pipecolic_acid,bmse000237,3,46.3684,11.14
19330,DL_pipecolic_acid,bmse000237,4,29.2254,12.03
19331,DL_pipecolic_acid,bmse000237,5,24.5183,12.5
19332,DL_pipecolic_acid,bmse000237,6,24.2597,11.72
19333,alpha_naphthoic_acid,bmse000178,1,180.9525,1.22
19334,alpha_naphthoic_acid,bmse000178,2,140.3164,2.38
19335,alpha_naphthoic_acid,bmse000178,3,136.0023,3.43
19336,alpha_naphthoic_acid,bmse000178,4,131.8378,2.83
19337,alpha_naphthoic_acid,bmse000178,5,131.5775,11.93
19338,alpha_naphthoic_acid,bmse000178,6,130.9661,12.32
19339,alpha_naphthoic_acid,bmse000178,7,129.4469,11.78
19340,alpha_naphthoic_acid,bmse000178,8,128.9278,12.24
19341,alpha_naphthoic_acid,bmse000178,9,128.3008,11.2
19342,alpha_naphthoic_acid,bmse000178,10,128.1263,11.47
19343,alpha_naphthoic_acid,bmse000178,11,126.9179,12.5
19344,L_lactic_acid,bmse000208,1,185.2568,1.47
19345,L_lactic_acid,bmse000208,2,71.1986,10.31
19346,L_lactic_acid,bmse000208,3,22.7605,12.5
19347,thymidine,bmse000244,1,169.2606,1.96
19348,thymidine,bmse000244,2,154.4362,2.17
19349,thymidine,bmse000244,3,140.2111,10.41
19350,thymidine,bmse000244,4,114.1556,4.85
19351,thymidine,bmse000244,5,89.1962,12.5
19352,thymidine,bmse000244,6,87.7135,11.37
19353,thymidine,bmse000244,7,73.1301,12.1
19354,thymidine,bmse000244,8,63.8632,10.49
19355,thymidine,bmse000244,9,41.1957,10.46
19356,thymidine,bmse000244,10,14.2614,10.1
19357,citraconic_acid,bmse000199,1,182.5855,1.19
19358,citraconic_acid,bmse000199,2,177.0006,1.62
19359,citraconic_acid,bmse000199,3,150.7235,3.14
19360,citraconic_acid,bmse000199,4,122.9987,12.5
19361,citraconic_acid,bmse000199,5,23.083,10.26
19362,homogentisic_acid,bmse000200,1,183.4495,2.25
19363,homogentisic_acid,bmse000200,2,151.5798,3.49
19364,homogentisic_acid,bmse000200,3,150.3577,2.71
19365,homogentisic_acid,bmse000200,4,128.3103,4.07
19366,homogentisic_acid,bmse000200,5,120.3611,12.12
19367,homogentisic_acid,bmse000200,6,119.7948,12.5
19368,homogentisic_acid,bmse000200,7,117.1989,12.11
19369,homogentisic_acid,bmse000200,8,42.6626,11.69
19370,isonicotinic_acid,bmse000133,1,152.265,11.27
19371,isonicotinic_acid,bmse000133,2,143.3482,1.49
19372,isonicotinic_acid,bmse000133,3,124.3227,12.5
19373,homovanillic_acid,bmse000132,1,184.0342,2.31
19374,homovanillic_acid,bmse000132,2,149.9125,2.75
19375,homovanillic_acid,bmse000132,3,145.8277,2.64
19376,homovanillic_acid,bmse000132,4,132.7556,4.92
19377,homovanillic_acid,bmse000132,5,124.6363,12.01
19378,homovanillic_acid,bmse000132,6,118.1634,12.5
19379,homovanillic_acid,bmse000132,7,116.1596,11.86
19380,homovanillic_acid,bmse000132,8,58.5972,11.89
19381,homovanillic_acid,bmse000132,9,46.5865,11.75
19382,cyanuric_acid,bmse000135,1,158.7585,12.5
19383,ethacrynic_acid,bmse000134,1,202.3118,4.43
19384,ethacrynic_acid,bmse000134,2,177.9826,5
19385,ethacrynic_acid,bmse000134,3,158.7271,7.04
19386,ethacrynic_acid,bmse000134,4,152.4416,9.11
19387,ethacrynic_acid,bmse000134,5,134.6377,7.45
19388,ethacrynic_acid,bmse000134,6,134.3055,7.14
19389,ethacrynic_acid,bmse000134,7,133.1034,4.2
19390,ethacrynic_acid,bmse000134,8,130.6445,11.98
19391,ethacrynic_acid,bmse000134,9,124.6188,3.16
19392,ethacrynic_acid,bmse000134,10,113.5528,12.1
19393,ethacrynic_acid,bmse000134,11,70.3721,12.5
19394,ethacrynic_acid,bmse000134,12,25.8093,12.14
19395,ethacrynic_acid,bmse000134,13,14.5372,10.57
19396,itaconic_acid,bmse000137,1,183.4319,1.66
19397,itaconic_acid,bmse000137,2,144.4598,3.08
19398,itaconic_acid,bmse000137,3,124.7498,11.94
19399,itaconic_acid,bmse000137,4,44.7199,12.5
19400,amygdalin,bmse000139,1,135.1591,3.04
19401,amygdalin,bmse000139,2,133.2211,4.82
19402,amygdalin,bmse000139,3,132.0805,12.5
19403,amygdalin,bmse000139,4,130.5071,12.26
19404,amygdalin,bmse000139,5,121.2539,2.79
19405,amygdalin,bmse000139,6,105.5549,5
19406,amygdalin,bmse000139,7,104.1485,4.67
19407,amygdalin,bmse000139,8,78.6035,5.33
19408,amygdalin,bmse000139,9,78.2945,5.19
19409,amygdalin,bmse000139,10,78.182,4.9
19410,amygdalin,bmse000139,11,78.0819,4.95
19411,amygdalin,bmse000139,12,75.9,5.09
19412,amygdalin,bmse000139,13,75.4567,4.78
19413,amygdalin,bmse000139,14,72.369,5.36
19414,amygdalin,bmse000139,15,71.8621,4.67
19415,amygdalin,bmse000139,16,71.7644,5.77
19416,amygdalin,bmse000139,17,70.9831,3.34
19417,amygdalin,bmse000139,18,63.4233,3.79
19418,D_cellobiose,bmse000138,1,105.2663,8.21
19419,D_cellobiose,bmse000138,2,105.2381,5.61
19420,D_cellobiose,bmse000138,3,98.4528,7.32
19421,D_cellobiose,bmse000138,4,94.5197,4.61
19422,D_cellobiose,bmse000138,5,81.4215,4.68
19423,D_cellobiose,bmse000138,6,81.2838,7.67
19424,D_cellobiose,bmse000138,7,78.6932,12.12
19425,D_cellobiose,bmse000138,8,78.1874,12.5
19426,D_cellobiose,bmse000138,9,77.5013,7.76
19427,D_cellobiose,bmse000138,10,76.9856,7.78
19428,D_cellobiose,bmse000138,11,76.5907,7.38
19429,D_cellobiose,bmse000138,12,75.8703,9.08
19430,D_cellobiose,bmse000138,13,74.0348,4.8
19431,D_cellobiose,bmse000138,14,73.925,5.13
19432,D_cellobiose,bmse000138,15,72.8163,4.72
19433,D_cellobiose,bmse000138,16,72.1615,6.12
19434,D_cellobiose,bmse000138,17,72.1439,8.59
19435,D_cellobiose,bmse000138,18,63.2643,6.56
19436,D_cellobiose,bmse000138,19,62.74,5.36
19437,D_cellobiose,bmse000138,20,62.606,3.56
19438,gamma_D_galactonolactone,bmse000141,1,178.7234,2.86
19439,gamma_D_galactonolactone,bmse000141,2,82.7298,12.5
19440,gamma_D_galactonolactone,bmse000141,3,76.4007,12.48
19441,gamma_D_galactonolactone,bmse000141,4,75.5187,12.19
19442,gamma_D_galactonolactone,bmse000141,5,74.2346,3.63
19443,gamma_D_galactonolactone,bmse000141,6,74.0161,3.26
19444,gamma_D_galactonolactone,bmse000141,7,72.7812,3.45
19445,gamma_D_galactonolactone,bmse000141,8,72.4324,3.36
19446,gamma_D_galactonolactone,bmse000141,9,71.5773,12.34
19447,gamma_D_galactonolactone,bmse000141,10,66.0277,3.07
19448,gamma_D_galactonolactone,bmse000141,11,64.6899,11.19
19449,D_glucuronate,bmse000140,1,179.6525,1.52
19450,D_glucuronate,bmse000140,2,178.6724,2.78
19451,D_glucuronate,bmse000140,3,98.5755,11.73
19452,D_glucuronate,bmse000140,4,94.8123,7.69
19453,D_glucuronate,bmse000140,5,78.959,12.5
19454,D_glucuronate,bmse000140,6,78.2467,11.99
19455,D_glucuronate,bmse000140,7,76.6906,11.59
19456,D_glucuronate,bmse000140,8,75.2591,7.37
19457,D_glucuronate,bmse000140,9,74.8051,6.93
19458,D_glucuronate,bmse000140,10,74.5748,8
19459,D_glucuronate,bmse000140,11,74.5431,12.46
19460,D_glucuronate,bmse000140,12,73.9985,7.55
19461,L_gulonolactone,bmse000235,1,180.7006,2.42
19462,L_gulonolactone,bmse000235,2,84.0626,11.74
19463,L_gulonolactone,bmse000235,3,76.1965,2.96
19464,L_gulonolactone,bmse000235,4,75.331,3.02
19465,L_gulonolactone,bmse000235,5,74.9955,3.01
19466,L_gulonolactone,bmse000235,6,73.5223,12.5
19467,L_gulonolactone,bmse000235,7,73.1631,3.21
19468,L_gulonolactone,bmse000235,8,72.7983,12.19
19469,L_gulonolactone,bmse000235,9,72.2798,12.42
19470,L_gulonolactone,bmse000235,10,65.2205,2.74
19471,L_gulonolactone,bmse000235,11,64.1843,11.09
19472,glycogen,bmse000232,1,102.5103,8.96
19473,glycogen,bmse000232,2,79.5505,5.53
19474,glycogen,bmse000232,3,75.5834,9.32
19475,glycogen,bmse000232,4,74.2061,12.5
19476,glycogen,bmse000232,5,72.0454,4.53
19477,glycogen,bmse000232,6,63.2055,9.29
19478,melibiose,bmse000233,1,100.9084,5.19
19479,melibiose,bmse000233,2,100.8632,7.98
19480,melibiose,bmse000233,3,98.7735,7.66
19481,melibiose,bmse000233,4,94.8931,4.76
19482,melibiose,bmse000233,5,78.5818,7.97
19483,melibiose,bmse000233,6,77.0484,7.73
19484,melibiose,bmse000233,7,76.7428,7.76
19485,melibiose,bmse000233,8,75.6402,4.58
19486,melibiose,bmse000233,9,74.1149,4.63
19487,melibiose,bmse000233,10,73.6528,8.49
19488,melibiose,bmse000233,11,72.7893,4.29
19489,melibiose,bmse000233,12,72.267,4.52
19490,melibiose,bmse000233,13,72.1674,11.07
19491,melibiose,bmse000233,14,72.1167,8.55
19492,melibiose,bmse000233,15,71.8963,12.5
19493,melibiose,bmse000233,16,71.1803,5.19
19494,melibiose,bmse000233,17,71.1491,7.83
19495,melibiose,bmse000233,18,68.5995,3.44
19496,melibiose,bmse000233,19,68.5046,5.7
19497,melibiose,bmse000233,20,63.7983,7.42
19498,D_glucono_1_5_lactone,bmse000230,1,181.2312,2.98
19499,D_glucono_1_5_lactone,bmse000230,2,76.6877,12.5
19500,D_glucono_1_5_lactone,bmse000230,3,75.204,12.42
19501,D_glucono_1_5_lactone,bmse000230,4,73.8622,12.42
19502,D_glucono_1_5_lactone,bmse000230,5,73.6372,12.42
19503,D_glucono_1_5_lactone,bmse000230,6,65.3046,10.99
19504,N_acetyl_D_glucosamine,bmse000231,1,177.4899,2.8
19505,N_acetyl_D_glucosamine,bmse000231,2,177.2462,4.07
19506,N_acetyl_D_glucosamine,bmse000231,3,97.6343,8.26
19507,N_acetyl_D_glucosamine,bmse000231,4,93.5456,12.5
19508,N_acetyl_D_glucosamine,bmse000231,5,78.6606,9.02
19509,N_acetyl_D_glucosamine,bmse000231,6,76.5921,8.56
19510,N_acetyl_D_glucosamine,bmse000231,7,74.2719,12.4
19606,dAMP,bmse000250,3,90.1821,11.54
19511,N_acetyl_D_glucosamine,bmse000231,8,73.3628,12.21
19512,N_acetyl_D_glucosamine,bmse000231,9,72.7507,12.34
19513,N_acetyl_D_glucosamine,bmse000231,10,72.5242,8.84
19514,N_acetyl_D_glucosamine,bmse000231,11,63.4249,7.22
19515,N_acetyl_D_glucosamine,bmse000231,12,63.2564,10.49
19516,N_acetyl_D_glucosamine,bmse000231,13,59.3824,8.25
19517,N_acetyl_D_glucosamine,bmse000231,14,56.8002,11.86
19518,N_acetyl_D_glucosamine,bmse000231,15,24.8865,6.38
19519,N_acetyl_D_glucosamine,bmse000231,16,24.609,9.19
19520,polygalacturonic_acid,bmse000228,1,178.1914,12.5
19521,polygalacturonic_acid,bmse000228,2,101.6522,9.97
19522,polygalacturonic_acid,bmse000228,3,80.5569,9.65
19523,polygalacturonic_acid,bmse000228,4,73.9772,8.45
19524,polygalacturonic_acid,bmse000228,5,71.4996,8.28
19525,polygalacturonic_acid,bmse000228,6,70.7598,8.29
19526,polygalacturonic_acid,bmse000228,7,26.4074,3.65
19527,D_saccharate,bmse000239,1,181.3679,2.13
19528,D_saccharate,bmse000239,2,181.237,1.95
19529,D_saccharate,bmse000239,3,76.4264,11.96
19530,D_saccharate,bmse000239,4,76.4165,12.5
19531,D_saccharate,bmse000239,5,76.2846,9.51
19532,D_saccharate,bmse000239,6,74.3621,9.95
19533,stachyose,bmse000240,1,106.5168,12.21
19534,stachyose,bmse000240,2,101.06,8.92
19535,stachyose,bmse000240,3,100.7169,10.76
19536,stachyose,bmse000240,4,94.8219,8.89
19537,stachyose,bmse000240,5,84.0524,9.16
19538,stachyose,bmse000240,6,78.9976,9.04
19539,stachyose,bmse000240,7,76.6795,9.2
19540,stachyose,bmse000240,8,75.4111,9
19541,stachyose,bmse000240,9,73.9757,8.23
19542,stachyose,bmse000240,10,73.7006,10.47
19543,stachyose,bmse000240,11,73.6476,9.63
19544,stachyose,bmse000240,12,72.1972,12.5
19545,stachyose,bmse000240,13,72.173,10.25
19546,stachyose,bmse000240,14,72.0684,10.06
19547,stachyose,bmse000240,15,72.0362,10.92
19548,stachyose,bmse000240,16,71.9303,12.49
19549,stachyose,bmse000240,17,71.5019,8.73
19550,stachyose,bmse000240,18,71.1393,9.07
19551,stachyose,bmse000240,19,70.9835,10.63
19552,stachyose,bmse000240,20,69.1734,6.48
19553,stachyose,bmse000240,21,68.5201,5.87
19554,stachyose,bmse000240,22,65.1886,8.65
19555,stachyose,bmse000240,23,64.0756,7.23
19556,stachyose,bmse000240,24,63.8499,10.36
19557,L_tartaric_acid,bmse000167,1,181.2992,12.5
19558,D_xylonate_cadmium,bmse000166,1,181.2863,3.14
19559,D_xylonate_cadmium,bmse000166,2,75.334,10.18
19560,D_xylonate_cadmium,bmse000166,3,75.0844,12.5
19561,D_xylonate_cadmium,bmse000166,4,65.059,9.59
19562,N_acetyl_D_glucosamine_1_phosphate,bmse000163,1,177.4252,6.68
19563,N_acetyl_D_glucosamine_1_phosphate,bmse000163,2,95.4941,6.42
19564,N_acetyl_D_glucosamine_1_phosphate,bmse000163,3,95.4396,6.74
19565,N_acetyl_D_glucosamine_1_phosphate,bmse000163,4,74.801,12.35
19566,N_acetyl_D_glucosamine_1_phosphate,bmse000163,5,74.139,11.43
19567,N_acetyl_D_glucosamine_1_phosphate,bmse000163,6,72.7232,12.5
19568,N_acetyl_D_glucosamine_1_phosphate,bmse000163,7,63.4049,10.26
19569,N_acetyl_D_glucosamine_1_phosphate,bmse000163,8,60.1376,1.31
19570,N_acetyl_D_glucosamine_1_phosphate,bmse000163,9,56.8998,5.8
19571,N_acetyl_D_glucosamine_1_phosphate,bmse000163,10,56.8264,6.12
19572,N_acetyl_D_glucosamine_1_phosphate,bmse000163,11,24.8578,11.78
19573,N_acetyl_D_glucosamine_1_phosphate,bmse000163,12,19.5062,1.22
19574,L_ornithine,bmse000162,1,177.052,2.52
19575,L_ornithine,bmse000162,2,56.8032,12.42
19576,L_ornithine,bmse000162,3,41.5581,10.67
19577,L_ornithine,bmse000162,4,30.183,12.5
19578,L_ornithine,bmse000162,5,25.4674,10.78
19579,D_alanine,bmse000236,1,178.5839,1.59
19580,D_alanine,bmse000236,2,53.2011,9.79
19581,D_alanine,bmse000236,3,18.8519,12.5
19582,4_nitrophenol,bmse000223,1,130.0111,12.5
19583,4_nitrophenol,bmse000223,2,129.9947,12.29
19584,4_nitrophenol,bmse000223,3,120.3011,8.51
19585,4_nitrophenol,bmse000223,4,120.2591,10.79
19586,D_L_glyceraldehyde,bmse000225,1,92.4597,11.03
19587,D_L_glyceraldehyde,bmse000225,2,76.7639,11.48
19588,D_L_glyceraldehyde,bmse000225,3,64.6759,12.5
19589,4_hydroxycinnamic_acid,bmse000150,1,178.908,1.38
19590,4_hydroxycinnamic_acid,bmse000150,2,159.818,1.85
19591,4_hydroxycinnamic_acid,bmse000150,3,143.5246,4.55
19592,4_hydroxycinnamic_acid,bmse000150,4,132.2994,11.74
19593,4_hydroxycinnamic_acid,bmse000150,5,130.1932,2.25
19594,4_hydroxycinnamic_acid,bmse000150,6,124.1229,4.91
19595,4_hydroxycinnamic_acid,bmse000150,7,118.5321,12.5
19596,alpha_D_galactose_1_phosphate,bmse000151,1,96.62,5.96
19597,alpha_D_galactose_1_phosphate,bmse000151,2,96.566,5.93
19598,alpha_D_galactose_1_phosphate,bmse000151,3,73.8281,11.4
19599,alpha_D_galactose_1_phosphate,bmse000151,4,72.304,10.42
19600,alpha_D_galactose_1_phosphate,bmse000151,5,72.1558,12.5
19601,alpha_D_galactose_1_phosphate,bmse000151,6,71.7402,5.87
19602,alpha_D_galactose_1_phosphate,bmse000151,7,71.6737,5.84
19603,alpha_D_galactose_1_phosphate,bmse000151,8,64.0705,10.09
19604,dAMP,bmse000250,1,155.0627,3.71
19605,dAMP,bmse000250,2,142.9366,3.42
19607,dAMP,bmse000250,4,87.3797,7.1
19608,dAMP,bmse000250,5,74.0139,10.26
19609,dAMP,bmse000250,6,64.4148,12.5
19610,dAMP,bmse000250,7,41.7694,7.82
19611,Oxalosuccinate,bmse000251,1,184.1371,2.15
19612,Oxalosuccinate,bmse000251,2,172.7664,1.95
19613,Oxalosuccinate,bmse000251,3,52.8383,1.48
19614,Oxalosuccinate,bmse000251,4,38.5758,5.93
19615,Oxalosuccinate,bmse000251,5,38.454,1.48
19616,Oxalosuccinate,bmse000251,6,38.2644,1.54
19617,Oxalosuccinate,bmse000251,7,38.0683,1.39
19618,Oxalosuccinate,bmse000251,8,36.9355,3.83
19619,Oxalosuccinate,bmse000251,9,35.3007,1.19
19620,Oxalosuccinate,bmse000251,10,34.9692,1.16
19621,Oxalosuccinate,bmse000251,11,33.3147,5.48
19622,Oxalosuccinate,bmse000251,12,33.2611,6.95
19623,Oxalosuccinate,bmse000251,13,33.2048,12.5
19624,Oxalosuccinate,bmse000251,14,25.9719,1.99
19625,Salicylate,bmse000252,1,178.336,1.8
19626,Salicylate,bmse000252,2,162.3095,1.9
19627,Salicylate,bmse000252,3,136.7054,12.5
19628,Salicylate,bmse000252,4,133.2002,11.8
19629,Salicylate,bmse000252,5,122.0978,11.69
19630,Salicylate,bmse000252,6,120.713,2.32
19631,Salicylate,bmse000252,7,119.007,12.31
19632,dADP,bmse000253,1,158.1421,4.9
19633,dADP,bmse000253,2,155.3005,9.18
19634,dADP,bmse000253,3,151.2181,2.23
19635,dADP,bmse000253,4,142.6258,3.6
19636,dADP,bmse000253,5,121.1832,1.88
19637,dADP,bmse000253,6,88.4189,5.03
19638,dADP,bmse000253,7,88.3329,5.02
19639,dADP,bmse000253,8,86.1412,10.03
19640,dADP,bmse000253,9,73.3197,12.5
19641,dADP,bmse000253,10,67.3652,4.1
19642,dADP,bmse000253,11,67.3129,3.98
19643,dADP,bmse000253,12,41.5514,9.81
19644,D_Fructose_1_phosphate,bmse000254,1,100.8301,3.74
19645,D_Fructose_1_phosphate,bmse000254,2,100.7578,3.97
19646,D_Fructose_1_phosphate,bmse000254,3,83.1443,1.21
19647,D_Fructose_1_phosphate,bmse000254,4,78.79,1.8
19648,D_Fructose_1_phosphate,bmse000254,5,76.8304,1.21
19649,D_Fructose_1_phosphate,bmse000254,6,72.0493,12.5
19650,D_Fructose_1_phosphate,bmse000254,7,71.8351,11.69
19651,D_Fructose_1_phosphate,bmse000254,8,70.5098,12.35
19652,D_Fructose_1_phosphate,bmse000254,9,68.9967,5.19
19653,D_Fructose_1_phosphate,bmse000254,10,68.9492,5.25
19654,D_Fructose_1_phosphate,bmse000254,11,66.0887,9.73
19655,D_Fructose_1_phosphate,bmse000254,12,64.969,2.12
19656,D_Fructose_1_phosphate,bmse000254,13,64.1264,1.29
19657,ITP,bmse000255,1,161.4399,4.25
19658,ITP,bmse000255,2,151.5943,2.62
19659,ITP,bmse000255,3,149.0201,9.65
19660,ITP,bmse000255,4,142.5226,5.74
19661,ITP,bmse000255,5,126.3562,2.24
19662,ITP,bmse000255,6,90.276,1.56
19663,ITP,bmse000255,7,89.9312,10.81
19664,ITP,bmse000255,8,86.8306,5.65
19665,ITP,bmse000255,9,86.7415,5.81
19666,ITP,bmse000255,10,77.2254,2.18
19667,ITP,bmse000255,11,77.1273,12.5
19668,ITP,bmse000255,12,72.8596,11.68
19669,ITP,bmse000255,13,72.5243,2.14
19670,ITP,bmse000255,14,67.7479,4.35
19671,ITP,bmse000255,15,67.695,4.23
19672,Formaldehyde,bmse000256,1,84.4358,12.5
19673,FMN,bmse000257,1,163.2526,6.78
19674,FMN,bmse000257,2,160.3175,7.33
19675,FMN,bmse000257,3,153.429,6.6
19676,FMN,bmse000257,4,152.3129,4.11
19677,FMN,bmse000257,5,142.1584,7.18
19678,FMN,bmse000257,6,136.6282,6.86
19679,FMN,bmse000257,7,136.1877,6.82
19680,FMN,bmse000257,8,134.1083,4
19681,FMN,bmse000257,9,132.8224,4.98
19682,FMN,bmse000257,10,119.7064,4.78
19683,FMN,bmse000257,11,75.2209,6.14
19684,FMN,bmse000257,12,74.4868,3.9
19685,FMN,bmse000257,13,74.4237,3.92
19686,FMN,bmse000257,14,72.0087,6.36
19687,FMN,bmse000257,15,67.8012,3.52
19688,FMN,bmse000257,16,50.1474,2.93
19689,FMN,bmse000257,17,23.466,11.62
19690,FMN,bmse000257,18,21.3437,12.5
19691,Glycolaldehyde,bmse000258,1,92.374,9.81
19692,Glycolaldehyde,bmse000258,2,67.1623,12.5
19693,4_Hydroxybenzaldehyde,bmse000259,1,197.0798,3.76
19694,4_Hydroxybenzaldehyde,bmse000259,2,136.1538,9.71
19695,4_Hydroxybenzaldehyde,bmse000259,3,129.545,1.03
19696,4_Hydroxybenzaldehyde,bmse000259,4,119.8609,12.5
19697,Nicotinamide_D_ribonucleotide,bmse000260,1,175.8236,3.35
19698,Nicotinamide_D_ribonucleotide,bmse000260,2,141.0654,10.52
19699,Nicotinamide_D_ribonucleotide,bmse000260,3,127.6138,9.12
19700,Nicotinamide_D_ribonucleotide,bmse000260,4,108.182,10.66
19701,Nicotinamide_D_ribonucleotide,bmse000260,5,103.4044,6.52
19702,Nicotinamide_D_ribonucleotide,bmse000260,6,103.1839,1.61
19703,Nicotinamide_D_ribonucleotide,bmse000260,7,97.6396,11.48
19704,Nicotinamide_D_ribonucleotide,bmse000260,8,85.9422,6.34
19705,Nicotinamide_D_ribonucleotide,bmse000260,9,85.8555,6.04
19706,Nicotinamide_D_ribonucleotide,bmse000260,10,80.4925,1.81
19707,Nicotinamide_D_ribonucleotide,bmse000260,11,74.2063,1.79
19708,Nicotinamide_D_ribonucleotide,bmse000260,12,73.4952,12.5
19709,Nicotinamide_D_ribonucleotide,bmse000260,13,73.3372,12.21
19710,Nicotinamide_D_ribonucleotide,bmse000260,14,66.7617,5.06
19711,Nicotinamide_D_ribonucleotide,bmse000260,15,66.7167,4.78
19712,Nicotinamide_D_ribonucleotide,bmse000260,16,24.6964,9.6
19713,Acetyl_phosphate,bmse000261,1,175.0096,3.44
19714,Acetyl_phosphate,bmse000261,2,25.9801,10.24
19715,Acetyl_phosphate,bmse000261,3,24.7883,12.5
19716,Acetyl_phosphate,bmse000261,4,24.7425,11.1
19717,3_4_Hydroxyphenyl_pyruvate,bmse000262,1,157.3242,1.3
19718,3_4_Hydroxyphenyl_pyruvate,bmse000262,2,133.865,7.91
19719,3_4_Hydroxyphenyl_pyruvate,bmse000262,3,118.3826,12.5
19720,3_4_Hydroxyphenyl_pyruvate,bmse000262,4,117.7478,1.45
19721,NADP,bmse000263,1,167.8496,4.47
19722,NADP,bmse000263,2,158.1147,5.39
19723,NADP,bmse000263,3,155.428,9.01
19724,NADP,bmse000263,4,151.6757,5.76
19725,NADP,bmse000263,5,148.3745,7.75
19726,NADP,bmse000263,6,145.0167,6.29
19727,NADP,bmse000263,7,142.8886,8.29
19728,NADP,bmse000263,8,142.5477,5.92
19729,NADP,bmse000263,9,136.304,8.28
19730,NADP,bmse000263,10,131.3453,8.51
19731,NADP,bmse000263,11,121.1612,3.82
19732,NADP,bmse000263,12,102.729,11.11
19733,NADP,bmse000263,13,89.8221,5.86
19734,NADP,bmse000263,14,89.7336,5.64
19735,NADP,bmse000263,15,89.2538,5.26
19736,NADP,bmse000263,16,89.1719,5.28
19737,NADP,bmse000263,17,85.7472,5.48
19738,NADP,bmse000263,18,85.6577,5.52
19739,NADP,bmse000263,19,80.3221,12.5
19740,NADP,bmse000263,20,78.7636,5.55
19741,NADP,bmse000263,21,78.722,5.71
19742,NADP,bmse000263,22,73.3731,12.23
19743,NADP,bmse000263,23,72.7335,7.06
19744,NADP,bmse000263,24,68.2193,4.11
19745,NADP,bmse000263,25,67.6754,4.43
19746,NADP,bmse000263,26,57.0544,1.98
19747,4_Nitrophenyl_phosphate,bmse000264,1,163.0405,1.08
19748,4_Nitrophenyl_phosphate,bmse000264,2,144.5179,1.04
19749,4_Nitrophenyl_phosphate,bmse000264,3,128.4131,12.5
19750,4_Nitrophenyl_phosphate,bmse000264,4,122.6671,7.06
19751,4_Nitrophenyl_phosphate,bmse000264,5,122.6148,7.04
19752,4_Nitrocatechol,bmse000265,1,164.1278,1.69
19753,4_Nitrocatechol,bmse000265,2,148.5107,2.32
19754,4_Nitrocatechol,bmse000265,3,138.4594,1.3
19755,4_Nitrocatechol,bmse000265,4,122.9045,11.12
19756,4_Nitrocatechol,bmse000265,5,118.6529,12.08
19757,4_Nitrocatechol,bmse000265,6,112.45,12.5
19758,UDP,bmse000266,1,169.0888,5
19759,UDP,bmse000266,2,154.545,3.74
19760,UDP,bmse000266,3,144.5243,8.52
19761,UDP,bmse000266,4,105.234,10.35
19762,UDP,bmse000266,5,91.4445,11.2
19763,UDP,bmse000266,6,85.9024,5.62
19764,UDP,bmse000266,7,85.8136,5.66
19765,UDP,bmse000266,8,76.5959,12.5
19766,UDP,bmse000266,9,71.8259,11.92
19767,UDP,bmse000266,10,66.8315,4.4
19768,UDP,bmse000266,11,66.7792,4.54
19769,Formamide,bmse000267,1,169.4492,12.5
19770,R_Lactate,bmse000269,1,185.265,2.92
19771,R_Lactate,bmse000269,2,71.1978,10.49
19772,R_Lactate,bmse000269,3,22.7641,12.5
19773,GDP,bmse000270,1,161.6068,4.89
19774,GDP,bmse000270,2,156.6326,5.27
19775,GDP,bmse000270,3,154.1538,4.67
19776,GDP,bmse000270,4,140.2801,1.14
19777,GDP,bmse000270,5,140.1096,6.84
19778,GDP,bmse000270,6,118.7579,3.69
19779,GDP,bmse000270,7,89.8065,11.14
19780,GDP,bmse000270,8,86.2198,5.66
19781,GDP,bmse000270,9,86.132,5.77
19782,GDP,bmse000270,10,76.7534,12.5
19783,GDP,bmse000270,11,72.5131,12.28
19784,GDP,bmse000270,12,67.1729,4.45
19785,GDP,bmse000270,13,67.1215,4.26
19786,CoA,bmse000271,1,177.6817,2.7
19787,CoA,bmse000271,2,177.4294,8.2
19788,CoA,bmse000271,3,176.8233,2.08
19789,CoA,bmse000271,4,176.7106,6.6
19790,CoA,bmse000271,5,158.389,5.21
19791,CoA,bmse000271,6,155.6654,8.04
19792,CoA,bmse000271,7,155.5753,5.97
19793,CoA,bmse000271,8,152.1398,5.55
19794,CoA,bmse000271,9,152.0219,2.76
19795,CoA,bmse000271,10,142.9347,4.88
19796,CoA,bmse000271,11,142.6212,6.68
19797,CoA,bmse000271,12,121.3186,3.76
19798,CoA,bmse000271,13,89.3885,6.08
19799,CoA,bmse000271,14,89.1901,9.09
19800,CoA,bmse000271,15,87.3585,1.54
19801,CoA,bmse000271,16,87.3087,1.85
19802,CoA,bmse000271,17,87.2237,1.74
19803,CoA,bmse000271,18,86.8498,2.3
19804,CoA,bmse000271,19,86.7595,2.57
19805,CoA,bmse000271,20,85.3884,1.1
19806,CoA,bmse000271,21,79.6453,1.28
19807,CoA,bmse000271,22,79.1396,1.19
19808,CoA,bmse000271,23,78.2226,1.22
19809,CoA,bmse000271,24,77.5422,4.25
19810,CoA,bmse000271,25,77.2177,3.82
19811,CoA,bmse000271,26,77.1851,3.69
19812,CoA,bmse000271,27,76.9949,5.4
19813,CoA,bmse000271,28,76.9604,4.74
19814,CoA,bmse000271,29,76.7805,9.52
19815,CoA,bmse000271,30,76.4673,4.19
19816,CoA,bmse000271,31,76.4236,8.22
19817,CoA,bmse000271,32,76.3796,5.46
19818,CoA,bmse000271,33,74.5542,4.24
19819,CoA,bmse000271,34,74.4922,3.65
19820,CoA,bmse000271,35,73.328,2.2
19821,CoA,bmse000271,36,73.2765,1.86
19822,CoA,bmse000271,37,68.4744,3.83
19823,CoA,bmse000271,38,68.4222,3.88
19824,CoA,bmse000271,39,66.6691,2.47
19825,CoA,bmse000271,40,66.6238,2.86
19826,CoA,bmse000271,41,45.0428,4.93
19827,CoA,bmse000271,42,44.9976,11.76
19828,CoA,bmse000271,43,44.9048,1.18
19829,CoA,bmse000271,44,41.1259,2.81
19830,CoA,bmse000271,45,41.0359,6.14
19831,CoA,bmse000271,46,40.9558,6.01
19832,CoA,bmse000271,47,40.7593,1.76
19833,CoA,bmse000271,48,39.1263,1.74
19834,CoA,bmse000271,49,38.2973,1.72
19835,CoA,bmse000271,50,38.1621,9.87
19836,CoA,bmse000271,51,38.0817,9.25
19837,CoA,bmse000271,52,25.7997,12.5
19838,CoA,bmse000271,53,24.0869,1.45
19839,CoA,bmse000271,54,23.9984,3.96
19840,CoA,bmse000271,55,23.5128,8.93
19841,CoA,bmse000271,56,22.6789,1.36
19842,CoA,bmse000271,57,20.9419,3.81
19843,CoA,bmse000271,58,20.7819,9.63
19844,CoA,bmse000271,59,20.1012,1.78
19845,CDP,bmse000272,1,168.8761,4.9
19846,CDP,bmse000272,2,160.4002,4.39
19847,CDP,bmse000272,3,144.5698,1.09
19848,CDP,bmse000272,4,144.266,8.55
19849,CDP,bmse000272,5,99.3648,1.46
19850,CDP,bmse000272,6,99.2242,9.38
19851,CDP,bmse000272,7,92.2295,11.24
19852,CDP,bmse000272,8,91.8456,1.72
19853,CDP,bmse000272,9,85.3396,5.74
19854,CDP,bmse000272,10,85.2502,5.69
19855,CDP,bmse000272,11,77.0076,12.5
19856,CDP,bmse000272,12,72.3706,1.47
19857,CDP,bmse000272,13,71.4858,12.07
19858,CDP,bmse000272,14,66.6366,4.51
19859,CDP,bmse000272,15,66.5841,4.41
19860,D_Aspartate,bmse000273,1,180.3052,2.2
19861,D_Aspartate,bmse000273,2,177.0122,1.98
19862,D_Aspartate,bmse000273,3,54.9072,9.91
19863,D_Aspartate,bmse000273,4,39.2644,12.5
19864,Thiamin,bmse000274,1,171.726,5.58
19865,Thiamin,bmse000274,2,164.5163,3.11
19866,Thiamin,bmse000274,3,159.8969,10.99
19867,Thiamin,bmse000274,4,145.552,3.59
19868,Thiamin,bmse000274,5,138.7379,4.97
19869,Thiamin,bmse000274,6,107.1899,6.29
19870,Thiamin,bmse000274,7,63.1255,12.5
19871,Thiamin,bmse000274,8,53.7574,10.69
19872,Thiamin,bmse000274,9,31.9248,12.41
19873,Thiamin,bmse000274,10,26.7632,11.25
19874,Thiamin,bmse000274,11,13.8517,12.02
19875,D_Fructose_2_6_bisphosphate,bmse000275,1,106.8714,4.79
19876,D_Fructose_2_6_bisphosphate,bmse000275,2,106.8017,4.74
19877,D_Fructose_2_6_bisphosphate,bmse000275,3,82.9825,6.41
19878,D_Fructose_2_6_bisphosphate,bmse000275,4,82.912,6.28
19879,D_Fructose_2_6_bisphosphate,bmse000275,5,80.0513,6.58
19880,D_Fructose_2_6_bisphosphate,bmse000275,6,80.0052,6.39
19881,D_Fructose_2_6_bisphosphate,bmse000275,7,78.0543,12.5
19882,D_Fructose_2_6_bisphosphate,bmse000275,8,68.3553,5.53
19883,D_Fructose_2_6_bisphosphate,bmse000275,9,68.3079,5.71
19884,D_Fructose_2_6_bisphosphate,bmse000275,10,65.2002,7.1
19885,D_Fructose_2_6_bisphosphate,bmse000275,11,60.1397,1.11
19886,D_Fructose_2_6_bisphosphate,bmse000275,12,19.51,1.19
19887,Ethanolamine,bmse000276,1,60.3171,12.5
19888,Ethanolamine,bmse000276,2,43.9507,8.05
19889,CTP,bmse000277,1,168.8983,5.15
19890,CTP,bmse000277,2,160.5208,4.42
19891,CTP,bmse000277,3,144.2311,8.6
19892,CTP,bmse000277,4,99.3524,9.52
19893,CTP,bmse000277,5,91.8085,11.04
19894,CTP,bmse000277,6,85.501,5.68
19895,CTP,bmse000277,7,85.4107,5.57
19896,CTP,bmse000277,8,77.0203,1.35
19897,CTP,bmse000277,9,76.8989,12.5
19898,CTP,bmse000277,10,71.7933,11.89
19899,CTP,bmse000277,11,71.4631,1.06
19900,CTP,bmse000277,12,67.272,4.2
19901,CTP,bmse000277,13,67.2177,4.39
19902,D_Ribulose_5_phosphate,bmse000278,1,103.8241,7.82
19903,D_Ribulose_5_phosphate,bmse000278,2,98.9771,2.24
19904,D_Ribulose_5_phosphate,bmse000278,3,85.3023,1.6
19905,D_Ribulose_5_phosphate,bmse000278,4,84.6704,3.81
19906,D_Ribulose_5_phosphate,bmse000278,5,84.5875,4.13
19907,D_Ribulose_5_phosphate,bmse000278,6,78.03,9.99
19908,D_Ribulose_5_phosphate,bmse000278,7,73.4112,12.5
19909,D_Ribulose_5_phosphate,bmse000278,8,72.931,3.83
19910,D_Ribulose_5_phosphate,bmse000278,9,67.3547,5.39
19911,D_Ribulose_5_phosphate,bmse000278,10,67.3093,5.5
19912,D_Ribulose_5_phosphate,bmse000278,11,66.4813,2.3
19913,Urocanate,bmse000279,1,178.6198,2.5
19914,Urocanate,bmse000279,2,140.3626,11.29
19915,Urocanate,bmse000279,3,137.0776,2.14
19916,Urocanate,bmse000279,4,133.668,10.36
19917,Urocanate,bmse000279,5,124.4849,12.5
19918,Urocanate,bmse000279,6,123.9802,8.38
19919,UMP,bmse000280,1,169.0839,4.57
19920,UMP,bmse000280,2,154.6578,3.41
19921,UMP,bmse000280,3,144.8275,8.54
19922,UMP,bmse000280,4,105.3924,10.43
19923,UMP,bmse000280,5,91.006,11.31
19924,UMP,bmse000280,6,86.9204,5.97
19925,UMP,bmse000280,7,86.8326,6.05
19926,UMP,bmse000280,8,76.6643,12.5
19927,UMP,bmse000280,9,72.7729,12.16
19928,UMP,bmse000280,10,65.9126,4.79
19929,UMP,bmse000280,11,65.8681,4.9
19930,Nicotinamide,bmse000281,1,154.5266,12.5
19931,Nicotinamide,bmse000281,2,150.344,11.49
19932,Nicotinamide,bmse000281,3,139.1539,11.48
19933,Nicotinamide,bmse000281,4,131.9398,1.76
19934,Nicotinamide,bmse000281,5,126.9235,10.76
19935,DL_Alanine,bmse000282,1,178.5738,1.77
19936,DL_Alanine,bmse000282,2,53.2017,9.6
19937,DL_Alanine,bmse000282,3,18.85,12.5
19938,Orotate,bmse000283,1,104.064,12.5
19939,Benzonitrile,bmse000284,1,136.2019,8.6
19940,Benzonitrile,bmse000284,2,135.1116,12.5
19941,Benzonitrile,bmse000284,3,131.8912,12.48
19942,Choline,bmse000285,1,70.1479,3.39
19943,Choline,bmse000285,2,70.1177,3.59
19944,Choline,bmse000285,3,70.0875,3.34
19945,Choline,bmse000285,4,58.3089,8.06
19946,Choline,bmse000285,5,56.621,11.8
19947,Choline,bmse000285,6,56.5813,12.5
19948,Choline,bmse000285,7,56.542,12.01
19949,Acetophenone,bmse000286,1,136.8469,7.17
19950,Acetophenone,bmse000286,2,131.5104,12.5
19951,Acetophenone,bmse000286,3,131.2516,11.84
19952,Acetophenone,bmse000286,4,28.9711,3.47
19953,Pantothenate,bmse000287,1,183.0208,3.24
19954,Pantothenate,bmse000287,2,177.6531,4.02
19955,Pantothenate,bmse000287,3,78.4586,12.5
19956,Pantothenate,bmse000287,4,71.0985,10.81
19957,Pantothenate,bmse000287,5,41.2778,8.26
19958,Pantothenate,bmse000287,6,39.3779,10.45
19959,Pantothenate,bmse000287,7,38.8533,9.94
19960,Pantothenate,bmse000287,8,23.2349,9.96
19961,Pantothenate,bmse000287,9,21.8424,10.1
19962,Pyridoxine,bmse000288,1,163.4259,2.28
19963,Pyridoxine,bmse000288,2,146.9983,3.52
19964,Pyridoxine,bmse000288,3,141.4468,3.78
19965,Pyridoxine,bmse000288,4,138.1842,4.52
19966,Pyridoxine,bmse000288,5,127.4073,3.84
19967,Pyridoxine,bmse000288,6,61.4656,12.5
19968,Pyridoxine,bmse000288,7,58.6687,10.33
19969,Pyridoxine,bmse000288,8,18.2013,8.23
19970,S_Adenosyl_L_homocysteine,bmse000289,1,176.8876,4.61
19971,S_Adenosyl_L_homocysteine,bmse000289,2,158.3878,3.44
19972,S_Adenosyl_L_homocysteine,bmse000289,3,155.6615,9.39
19973,S_Adenosyl_L_homocysteine,bmse000289,4,151.6956,3.2
19974,S_Adenosyl_L_homocysteine,bmse000289,5,142.814,7.91
19975,S_Adenosyl_L_homocysteine,bmse000289,6,121.5644,2.04
19976,S_Adenosyl_L_homocysteine,bmse000289,7,90.125,10.63
19977,S_Adenosyl_L_homocysteine,bmse000289,8,90.0104,2.04
19978,S_Adenosyl_L_homocysteine,bmse000289,9,86.1029,11.9
19979,S_Adenosyl_L_homocysteine,bmse000289,10,75.9715,11.38
19980,S_Adenosyl_L_homocysteine,bmse000289,11,75.0004,12.5
19981,S_Adenosyl_L_homocysteine,bmse000289,12,56.4364,10.43
19982,S_Adenosyl_L_homocysteine,bmse000289,13,36.2065,8.4
19983,S_Adenosyl_L_homocysteine,bmse000289,14,33.1203,8.91
19984,S_Adenosyl_L_homocysteine,bmse000289,15,30.4627,9.14
19985,Phenol,bmse000290,1,132.703,11.87
19986,Phenol,bmse000290,2,123.3534,6.56
19987,Phenol,bmse000290,3,118.0886,12.5
19988,Selenomethionine,bmse000291,1,176.8764,2.7
19989,Selenomethionine,bmse000291,2,57.3265,11.71
19990,Selenomethionine,bmse000291,3,33.5106,11.73
19991,Selenomethionine,bmse000291,4,21.8408,12.5
19992,Selenomethionine,bmse000291,5,5.875,6.96
19993,UDPglucuronate,bmse000292,1,179.1513,4.63
19994,UDPglucuronate,bmse000292,2,169.0242,5.14
19995,UDPglucuronate,bmse000292,3,154.6097,3.93
19996,UDPglucuronate,bmse000292,4,144.2873,8.42
19997,UDPglucuronate,bmse000292,5,105.4108,10.1
19998,UDPglucuronate,bmse000292,6,98.1166,5.83
19999,UDPglucuronate,bmse000292,7,98.0506,5.78
20000,UDPglucuronate,bmse000292,8,91.0126,10.69
20001,UDPglucuronate,bmse000292,9,86.0368,5.52
20002,UDPglucuronate,bmse000292,10,85.9455,5.68
20003,UDPglucuronate,bmse000292,11,76.498,12.5
20004,UDPglucuronate,bmse000292,12,75.7603,10.99
20005,UDPglucuronate,bmse000292,13,75.2986,10.18
20006,UDPglucuronate,bmse000292,14,74.5675,11.19
20007,UDPglucuronate,bmse000292,15,74.1227,5.66
20008,UDPglucuronate,bmse000292,16,74.0395,5.54
20009,UDPglucuronate,bmse000292,17,72.367,11.96
20010,UDPglucuronate,bmse000292,18,67.7081,4.35
20011,UDPglucuronate,bmse000292,19,67.6532,4.54
20012,UDPglucuronate,bmse000292,20,60.142,1.01
20013,UDPglucuronate,bmse000292,21,19.5053,1.3
20014,Hydroquinone,bmse000293,1,151.6552,1.09
20015,Hydroquinone,bmse000293,2,119.0705,12.5
20016,Methanol,bmse000294,1,51.571,12.5
20017,Methanol,bmse000294,2,8.3835,1.29
20018,UTP,bmse000295,1,169.0527,4.84
20019,UTP,bmse000295,2,154.6305,3.56
20020,UTP,bmse000295,3,144.4685,8.62
20021,UTP,bmse000295,4,105.3558,9.9
20022,UTP,bmse000295,5,90.9803,10.91
20023,UTP,bmse000295,6,86.0794,5.45
20024,UTP,bmse000295,7,85.9897,5.66
20025,UTP,bmse000295,8,76.4645,12.5
20026,UTP,bmse000295,9,72.1667,11.59
20027,UTP,bmse000295,10,67.5196,4.26
20028,UTP,bmse000295,11,67.4644,4.32
20029,UTP,bmse000295,12,60.1427,1.1
20030,dTMP,bmse000296,1,169.2356,1.23
20031,dTMP,bmse000296,2,160.5265,1.29
20032,dTMP,bmse000296,3,154.4333,1.31
20033,dTMP,bmse000296,4,140.1216,3.35
20034,dTMP,bmse000296,5,114.2982,2.37
20035,dTMP,bmse000296,6,88.3382,2.04
20036,dTMP,bmse000296,7,88.2519,1.87
20037,dTMP,bmse000296,8,87.8416,3.66
20038,dTMP,bmse000296,9,73.7576,4.03
20039,dTMP,bmse000296,10,69.7071,3.43
20040,dTMP,bmse000296,11,69.6331,3.39
20041,dTMP,bmse000296,12,68.674,6.88
20042,dTMP,bmse000296,13,67.0077,1.54
20043,dTMP,bmse000296,14,66.9519,1.6
20044,dTMP,bmse000296,15,57.1741,5.62
20045,dTMP,bmse000296,16,50.7174,6.42
20046,dTMP,bmse000296,17,47.4494,6.5
20047,dTMP,bmse000296,18,41.3959,3.4
20048,dTMP,bmse000296,19,35.6124,12.5
20049,dTMP,bmse000296,20,27.378,11.97
20050,dTMP,bmse000296,21,27.3297,7.39
20051,dTMP,bmse000296,22,14.3887,4.03
20052,Ethanol,bmse000297,1,60.1347,10.57
20053,Ethanol,bmse000297,2,19.4922,12.5
20054,D_Glyceraldehyde,bmse000298,1,92.4619,11.47
20055,D_Glyceraldehyde,bmse000298,2,76.7643,11.97
20056,D_Glyceraldehyde,bmse000298,3,67.5383,2.02
20057,D_Glyceraldehyde,bmse000298,4,64.6757,12.5
20058,Folate,bmse000299,1,185.1947,10.02
20059,Folate,bmse000299,2,182.1813,8.33
20060,Folate,bmse000299,3,171.6618,6.23
20061,Folate,bmse000299,4,167.4706,1.1
20062,Folate,bmse000299,5,156.8561,3.58
20063,Folate,bmse000299,6,154.9662,1.2
20064,Folate,bmse000299,7,152.4534,5.63
20065,Folate,bmse000299,8,150.9644,2.57
20066,Folate,bmse000299,9,150.4027,4.37
20067,Folate,bmse000299,10,131.6987,1.03
20068,Folate,bmse000299,11,131.3015,7.38
20069,Folate,bmse000299,12,129.0129,4.84
20070,Folate,bmse000299,13,123.0856,5.17
20071,Folate,bmse000299,14,113.9108,6.41
20072,Folate,bmse000299,15,58.6333,8.76
20073,Folate,bmse000299,16,47.4239,2.98
20074,Folate,bmse000299,17,37.0651,12.5
20075,Folate,bmse000299,18,31.1742,7.87
20076,Benzoate,bmse000300,1,138.9121,1.04
20077,Benzoate,bmse000300,2,133.9731,7.03
20078,Benzoate,bmse000300,3,131.4957,12.46
20079,Benzoate,bmse000300,4,131.0181,12.5
20080,1_3_diaminopropane,bmse000001,1,39.3182,12.5
20081,1_3_diaminopropane,bmse000001,2,27.6038,6.62
20082,2_3_diphospho_D_glyceric_acid,bmse000002,1,180.6244,6.14
20083,2_3_diphospho_D_glyceric_acid,bmse000002,2,77.8926,9.81
20084,2_3_diphospho_D_glyceric_acid,bmse000002,3,77.8397,8.95
20085,2_3_diphospho_D_glyceric_acid,bmse000002,4,77.8017,8.58
20086,2_3_diphospho_D_glyceric_acid,bmse000002,5,77.7593,8.04
20087,2_3_diphospho_D_glyceric_acid,bmse000002,6,69.2089,12.5
20088,2_deoxyguanosine,bmse000003,1,140.4376,7.32
20089,2_deoxyguanosine,bmse000003,2,89.8652,7.61
20090,2_deoxyguanosine,bmse000003,3,86.6745,9.57
20091,2_deoxyguanosine,bmse000003,4,73.9059,12.5
20092,2_deoxyguanosine,bmse000003,5,64.3305,8.45
20093,2_deoxyguanosine,bmse000003,6,41.3976,8.86
20094,adenine,bmse000060,1,153.1875,0.8
20095,adenine,bmse000060,2,151.829,1.02
20096,adenine,bmse000060,3,147.5748,11.47
20097,adenine,bmse000060,4,146.3944,12.5
20098,adenine,bmse000060,5,118.324,0.66
20099,adenosine,bmse000061,1,155.2065,8.59
20100,adenosine,bmse000061,2,151.091,3.13
20101,adenosine,bmse000061,3,143.2708,6.58
20102,adenosine,bmse000061,4,91.0332,10.74
20103,adenosine,bmse000061,5,88.5401,11.36
20104,adenosine,bmse000061,6,76.3929,12.5
20105,adenosine,bmse000061,7,73.3525,11.01
20106,adenosine,bmse000061,8,64.2162,10.03
20107,adenosine,bmse000061,9,133.0864,1.07
20108,adonitol,bmse000062,1,74.8925,6.76
20109,adonitol,bmse000062,2,74.8008,11.44
20110,adonitol,bmse000062,3,65.0705,12.5
20111,ADP,bmse000004,1,158.1533,6.68
20112,ADP,bmse000004,2,155.4207,12.01
20113,ADP,bmse000004,3,151.6456,1.97
20114,ADP,bmse000004,4,151.5495,1.81
20115,ADP,bmse000004,5,142.8127,2.95
20116,ADP,bmse000004,6,142.5832,3.64
20117,ADP,bmse000004,7,121.1747,1.72
20118,ADP,bmse000004,8,89.778,10.17
20119,ADP,bmse000004,9,89.5551,6.01
20120,ADP,bmse000004,10,87.4621,3.15
20121,ADP,bmse000004,11,87.3746,3.43
20122,ADP,bmse000004,12,86.4858,4.81
20123,ADP,bmse000004,13,86.3979,5.28
20124,ADP,bmse000004,14,77.2288,6.53
20125,ADP,bmse000004,15,77.0622,12.5
20126,ADP,bmse000004,16,73.4056,6.43
20127,ADP,bmse000004,17,72.6057,12.04
20128,ADP,bmse000004,18,67.1794,3.82
20129,ADP,bmse000004,19,67.1297,3.91
20130,ADP,bmse000004,20,66.2518,2.61
20131,ADP,bmse000004,21,66.2091,2.71
20132,agmatine,bmse000063,1,159.5178,1.15
20133,agmatine,bmse000063,2,43.1542,9.26
20134,agmatine,bmse000063,3,41.7324,8.53
20135,agmatine,bmse000063,4,27.7024,11.07
20136,agmatine,bmse000063,5,26.715,12.5
20137,D_allose,bmse000008,1,96.1036,10.7
20138,D_allose,bmse000008,2,95.5286,1.55
20139,D_allose,bmse000008,3,76.2932,11.82
20140,D_allose,bmse000008,4,74.3841,1.58
20141,D_allose,bmse000008,5,73.9304,11.03
20142,D_allose,bmse000008,6,73.8513,12.02
20143,D_allose,bmse000008,7,69.7109,1.21
20144,D_allose,bmse000008,8,69.5516,1.22
20145,D_allose,bmse000008,9,69.4757,12.5
20146,D_allose,bmse000008,10,68.7507,2.03
20147,D_allose,bmse000008,11,63.8517,10.79
20148,D_allose,bmse000008,12,63.3663,1.24
20149,D_fructose,bmse000010,1,100.7878,2.8
20150,D_fructose,bmse000010,2,83.3844,4
20151,D_fructose,bmse000010,3,78.7409,1.35
20152,D_fructose,bmse000010,4,78.0833,3.23
20153,D_fructose,bmse000010,5,77.1431,3.97
20154,D_fructose,bmse000010,6,72.3808,12.5
20155,D_fructose,bmse000010,7,71.9017,10.92
20156,D_fructose,bmse000010,8,70.2559,10.72
20157,D_fructose,bmse000010,9,66.587,11.06
20158,D_fructose,bmse000010,10,66.0735,12.1
20159,D_fructose,bmse000010,11,65.3682,3.85
20160,D_fructose,bmse000010,12,65.074,4.07
20161,D_galactose,bmse000013,1,99.1714,10.5
20162,D_galactose,bmse000013,2,94.9986,5.59
20163,D_galactose,bmse000013,3,77.8681,12.5
20164,D_galactose,bmse000013,4,75.5121,11.36
20165,D_galactose,bmse000013,5,74.5893,11.5
20166,D_galactose,bmse000013,6,73.1956,6.08
20167,D_galactose,bmse000013,7,72.0185,5.93
20168,D_galactose,bmse000013,8,71.879,5.94
20169,D_galactose,bmse000013,9,71.4595,12.5
20170,D_galactose,bmse000013,10,71.0589,5.22
20171,D_galactose,bmse000013,11,63.8951,5.64
20172,D_galactose,bmse000013,12,63.6909,11.96
20173,D_glucose,bmse000015,1,98.6177,12.18
20174,D_glucose,bmse000015,2,94.8017,7.46
20175,D_glucose,bmse000015,3,78.6602,12.5
20176,D_glucose,bmse000015,4,78.46,12.38
20177,D_glucose,bmse000015,5,76.8429,11.94
20178,D_glucose,bmse000015,6,75.4621,6.95
20179,D_glucose,bmse000015,7,74.1868,7.96
20180,D_glucose,bmse000015,8,74.1521,7.85
20181,D_glucose,bmse000015,9,72.3476,7.59
20182,D_glucose,bmse000015,10,72.3041,12.25
20183,D_glucose,bmse000015,11,63.4496,11.55
20184,D_glucose,bmse000015,12,63.2877,6.43
20185,D_mannose,bmse000018,1,96.747,10.66
20186,D_mannose,bmse000018,2,96.3827,5.27
20187,D_mannose,bmse000018,3,78.8753,4.9
20188,D_mannose,bmse000018,4,75.7486,5.48
20189,D_mannose,bmse000018,5,75.1093,11.15
20190,D_mannose,bmse000018,6,73.9252,5.51
20191,D_mannose,bmse000018,7,73.3921,10.59
20192,D_mannose,bmse000018,8,72.9329,10.68
20193,D_mannose,bmse000018,9,69.5495,10.82
20194,D_mannose,bmse000018,10,69.3058,5.88
20195,D_mannose,bmse000018,11,63.666,12.5
20196,D_psicose,bmse000020,1,105.9793,2.62
20197,D_psicose,bmse000020,2,101.1482,2.31
20198,D_psicose,bmse000020,3,85.4184,12.5
20199,D_psicose,bmse000020,4,77.3405,2.67
20200,D_psicose,bmse000020,5,74.437,5.54
20201,D_psicose,bmse000020,6,73.7152,3.61
20202,D_psicose,bmse000020,7,73.0555,10.59
20203,D_psicose,bmse000020,8,73.0326,11.16
20204,D_psicose,bmse000020,9,72.9119,5.49
20205,D_psicose,bmse000020,10,71.7174,6.08
20206,D_psicose,bmse000020,11,68.562,7.08
20207,D_psicose,bmse000020,12,68.1859,7.9
20208,D_psicose,bmse000020,13,67.7838,6.98
20209,D_psicose,bmse000020,14,66.8844,6.45
20210,D_psicose,bmse000020,15,66.6778,4.36
20211,D_psicose,bmse000020,16,65.9583,9.93
20212,D_psicose,bmse000020,17,65.7568,6.2
20213,D_psicose,bmse000020,18,65.5148,3.26
20214,D_psicose,bmse000020,19,65.0727,3.8
20215,D_psicose,bmse000020,20,64.029,7.13
20216,D_psicose,bmse000020,21,60.6736,5.34
20217,D_sorbose,bmse000022,1,100.4423,2.8
20218,D_sorbose,bmse000022,2,76.5308,8.63
20219,D_sorbose,bmse000022,3,73.0506,8.72
20220,D_sorbose,bmse000022,4,72.1197,12.5
20221,D_sorbose,bmse000022,5,66.1492,9.88
20222,D_sorbose,bmse000022,6,64.4696,11
20223,D_tagatose,bmse000023,1,100.9098,3.49
20224,D_tagatose,bmse000023,2,73.6229,12.5
20225,D_tagatose,bmse000023,3,72.484,10.38
20226,D_tagatose,bmse000023,4,71.9743,2.2
20227,D_tagatose,bmse000023,5,69.0595,10.53
20228,D_tagatose,bmse000023,6,66.5918,10.06
20229,D_tagatose,bmse000023,7,66.403,1.92
20230,D_tagatose,bmse000023,8,66.1917,1.73
20231,D_tagatose,bmse000023,9,64.9495,7.98
20232,D_tagatose,bmse000023,10,62.8345,1.69
20233,D_xylose,bmse000026,1,99.3304,11.78
20234,D_xylose,bmse000026,2,94.9405,6.48
20235,D_xylose,bmse000026,3,78.526,10.11
20236,D_xylose,bmse000026,4,76.7418,12.5
20237,D_xylose,bmse000026,5,75.5229,5.77
20238,D_xylose,bmse000026,6,74.1661,6.42
20239,D_xylose,bmse000026,7,72.1118,6.54
20240,D_xylose,bmse000026,8,71.9378,12.28
20241,D_xylose,bmse000026,9,67.899,10.25
20242,D_xylose,bmse000026,10,63.6456,5.21
20243,alpha_ketoglutaric_acid,bmse000064,1,184.1528,2.07
20244,alpha_ketoglutaric_acid,bmse000064,2,38.5723,12.5
20245,alpha_ketoglutaric_acid,bmse000064,3,33.3219,9.83
20246,alpha_lactose,bmse000065,1,105.6382,8.25
20247,alpha_lactose,bmse000065,2,98.4725,7.33
20248,alpha_lactose,bmse000065,3,94.539,4.05
20249,alpha_lactose,bmse000065,4,81.1636,3.89
20250,alpha_lactose,bmse000065,5,81.0377,6.84
20251,alpha_lactose,bmse000065,6,78.0734,12.5
20252,alpha_lactose,bmse000065,7,77.522,7.34
20253,alpha_lactose,bmse000065,8,77.0808,7.32
20254,alpha_lactose,bmse000065,9,76.5296,7.28
20255,alpha_lactose,bmse000065,10,75.2407,11.24
20256,alpha_lactose,bmse000065,11,74.1286,4.28
20257,alpha_lactose,bmse000065,12,73.8715,4.75
20258,alpha_lactose,bmse000065,13,73.6835,9.31
20259,alpha_lactose,bmse000065,14,72.8271,3.84
20260,alpha_lactose,bmse000065,15,71.272,8.2
20261,alpha_lactose,bmse000065,16,63.7524,7.27
20262,alpha_lactose,bmse000065,17,62.8108,4.95
20263,alpha_lactose,bmse000065,18,62.6765,3.11
20264,4_aminobenzoic_acid,bmse000066,1,133.5667,12.5
20265,4_aminobenzoic_acid,bmse000066,2,128.9442,1.1
20266,4_aminobenzoic_acid,bmse000066,3,117.8119,11.36
20267,AMP,bmse000005,1,158.1415,3.52
20268,AMP,bmse000005,2,155.4083,9.41
20269,AMP,bmse000005,3,151.6344,4.45
20270,AMP,bmse000005,4,142.8031,7.78
20271,AMP,bmse000005,5,121.1486,2.72
20272,AMP,bmse000005,6,89.5563,11.53
20273,AMP,bmse000005,7,87.4594,6.04
20274,AMP,bmse000005,8,87.3722,6.06
20275,AMP,bmse000005,9,77.2299,12.5
20276,AMP,bmse000005,10,73.4036,12.24
20277,AMP,bmse000005,11,66.25,4.83
20278,AMP,bmse000005,12,66.2055,5.13
20279,anthranilic_acid,bmse000067,1,150.2702,2.1
20280,anthranilic_acid,bmse000067,2,134.7227,10.28
20281,anthranilic_acid,bmse000067,3,133.6538,12.5
20282,anthranilic_acid,bmse000067,4,123.4956,1.99
20283,anthranilic_acid,bmse000067,5,120.6937,11.1
20284,anthranilic_acid,bmse000067,6,120.3926,11.42
20285,L_arabitol,bmse000068,1,73.609,12.5
20286,L_arabitol,bmse000068,2,73.1399,11.93
20287,L_arabitol,bmse000068,3,72.9514,12.49
20288,L_arabitol,bmse000068,4,65.7296,10.81
20289,L_arabitol,bmse000068,5,65.6383,9.86
20290,ATP,bmse000006,1,158.2621,4.05
20291,ATP,bmse000006,2,155.4997,9.32
20292,ATP,bmse000006,3,151.7848,3.62
20293,ATP,bmse000006,4,142.6155,7.12
20294,ATP,bmse000006,5,121.2616,2.51
20295,ATP,bmse000006,6,89.3634,10.94
20296,ATP,bmse000006,7,86.7432,5.75
20297,ATP,bmse000006,8,86.6543,5.65
20298,ATP,bmse000006,9,76.9481,12.5
20299,ATP,bmse000006,10,72.9427,11.75
20300,ATP,bmse000006,11,67.8017,4.32
20301,ATP,bmse000006,12,67.7473,4.42
20302,betaine,bmse000069,1,171.9654,1.21
20303,betaine,bmse000069,2,68.893,3.07
20304,betaine,bmse000069,3,68.8587,3.29
20305,betaine,bmse000069,4,68.8297,3.27
20306,betaine,bmse000069,5,56.0898,10.14
20307,betaine,bmse000069,6,56.0509,12.5
20308,betaine,bmse000069,7,56.0118,10.21
20309,betaine_aldehyde,bmse000070,1,87.5694,9.74
20310,betaine_aldehyde,bmse000070,2,56.9587,10.45
20311,betaine_aldehyde,bmse000070,3,56.9195,12.5
20312,betaine_aldehyde,bmse000070,4,56.8886,11.17
20313,cadaverine,bmse000072,1,41.871,11.66
20314,cadaverine,bmse000072,2,28.9617,12.5
20315,cadaverine,bmse000072,3,25.3762,5.64
20316,cAMP,bmse000071,1,158.0318,4.3
20317,cAMP,bmse000071,2,155.524,10.63
20318,cAMP,bmse000071,3,150.7719,4.62
20319,cAMP,bmse000071,4,142.3466,9.68
20320,cAMP,bmse000071,5,121.2041,3.29
20321,cAMP,bmse000071,6,94.2109,12.5
20322,cAMP,bmse000071,7,80.0206,6.2
20323,cAMP,bmse000071,8,79.9754,6.98
20324,cAMP,bmse000071,9,75.0214,7.05
20325,cAMP,bmse000071,10,74.9418,7.25
20326,cAMP,bmse000071,11,74.463,6.46
20327,cAMP,bmse000071,12,70.0836,5.58
20328,cAMP,bmse000071,13,70.0142,5.05
20329,L_canavanine,bmse000073,1,177.0117,3.9
20330,L_canavanine,bmse000073,2,161.2671,2
20331,L_canavanine,bmse000073,3,74.5403,11.99
20332,L_canavanine,bmse000073,4,55.2855,12.02
20333,L_canavanine,bmse000073,5,31.809,12.5
20334,D_carnitine,bmse000074,1,180.7779,2.25
20335,D_carnitine,bmse000074,2,72.8193,4.47
20336,D_carnitine,bmse000074,3,72.7942,3.83
20337,D_carnitine,bmse000074,4,66.791,9.37
20338,D_carnitine,bmse000074,5,56.8328,10.48
20339,D_carnitine,bmse000074,6,56.7941,12.5
20340,D_carnitine,bmse000074,7,56.7554,10.44
20341,D_carnitine,bmse000074,8,45.6802,6.79
20342,chorismic_acid,bmse000075,1,155.9825,4.51
20343,chorismic_acid,bmse000075,2,137.1007,3.63
20344,chorismic_acid,bmse000075,3,132.6303,11.7
20345,chorismic_acid,bmse000075,4,131.7674,9.54
20346,chorismic_acid,bmse000075,5,126.7891,9.9
20347,chorismic_acid,bmse000075,6,95.5643,8.84
20348,chorismic_acid,bmse000075,7,82.3153,12.5
20349,chorismic_acid,bmse000075,8,72.8256,12.45
20350,citrate,bmse000076,1,184.7215,1.13
20351,citrate,bmse000076,2,182.0353,2.11
20352,citrate,bmse000076,3,77.9249,1.44
20353,citrate,bmse000076,4,48.4023,12.5
20354,coumarin,bmse000077,1,163.4646,0.72
20355,coumarin,bmse000077,2,156.7265,1.12
20356,coumarin,bmse000077,3,146.1206,6.54
20357,coumarin,bmse000077,4,134.5133,12.5
20358,coumarin,bmse000077,5,130.5441,8.87
20359,coumarin,bmse000077,6,127.1083,11.93
20360,coumarin,bmse000077,7,121.5098,1.08
20361,coumarin,bmse000077,8,119.5804,6.82
20362,coumarin,bmse000077,9,119.3784,7.14
20363,creatine,bmse000078,1,177.3494,1.87
20364,creatine,bmse000078,2,56.549,12.5
20365,creatine,bmse000078,3,39.6249,7.16
20366,creatine_phosphate,bmse000079,1,177.5977,1.69
20367,creatine_phosphate,bmse000079,2,56.5658,12.5
20368,creatine_phosphate,bmse000079,3,39.5149,7.02
20369,dehydro_proline,bmse000080,1,174.9837,1.15
20370,dehydro_proline,bmse000080,2,128.3998,11.9
20371,dehydro_proline,bmse000080,3,128.1163,10.28
20372,dehydro_proline,bmse000080,4,71.129,8.12
20373,dehydro_proline,bmse000080,5,55.1054,12.5
20374,D_3_phosphoglyceric_acid,bmse000007,1,181.5589,4.18
20375,D_3_phosphoglyceric_acid,bmse000007,2,75.6758,11.64
20376,D_3_phosphoglyceric_acid,bmse000007,3,75.5997,9.71
20377,D_3_phosphoglyceric_acid,bmse000007,4,69.5144,10.45
20378,D_3_phosphoglyceric_acid,bmse000007,5,69.4639,12.5
20379,D_fructose_1_6_bisphosphate,bmse000011,1,107.7441,1.24
20380,D_fructose_1_6_bisphosphate,bmse000011,2,107.6859,1.45
20381,D_fructose_1_6_bisphosphate,bmse000011,3,103.7998,2.79
20382,D_fructose_1_6_bisphosphate,bmse000011,4,103.7169,2.58
20383,D_fructose_1_6_bisphosphate,bmse000011,5,84.7524,1.84
20384,D_fructose_1_6_bisphosphate,bmse000011,6,84.6734,1.8
20385,D_fructose_1_6_bisphosphate,bmse000011,7,84.1618,3.88
20386,D_fructose_1_6_bisphosphate,bmse000011,8,82.4331,4.33
20387,D_fructose_1_6_bisphosphate,bmse000011,9,82.3517,4.54
20388,D_fructose_1_6_bisphosphate,bmse000011,10,79.436,3.58
20389,D_fructose_1_6_bisphosphate,bmse000011,11,78.4857,12.5
20390,D_fructose_1_6_bisphosphate,bmse000011,12,76.8309,8.44
20391,D_fructose_1_6_bisphosphate,bmse000011,13,68.3534,4.96
20392,D_fructose_1_6_bisphosphate,bmse000011,14,67.3714,1.78
20393,D_fructose_1_6_bisphosphate,bmse000011,15,67.0519,6.07
20394,D_fructose_1_6_bisphosphate,bmse000011,16,67.0078,5.96
20395,D_fructose_1_6_bisphosphate,bmse000011,17,66.9036,2.2
20396,D_fructose_1_6_bisphosphate,bmse000011,18,66.8591,2.2
20397,D_fructose_6_phosphate,bmse000012,1,107.1352,1.18
20398,D_fructose_6_phosphate,bmse000012,2,104.1799,5.96
20399,D_fructose_6_phosphate,bmse000012,3,84.4579,2.69
20400,D_fructose_6_phosphate,bmse000012,4,83.1582,1.38
20401,D_fructose_6_phosphate,bmse000012,5,83.081,1.12
20402,D_fructose_6_phosphate,bmse000012,6,82.6592,6.1
20403,D_fructose_6_phosphate,bmse000012,7,82.5783,5.8
20404,D_fructose_6_phosphate,bmse000012,8,78.536,2.85
20405,D_fructose_6_phosphate,bmse000012,9,77.8697,12.5
20406,D_fructose_6_phosphate,bmse000012,10,77.0604,11.73
20407,D_fructose_6_phosphate,bmse000012,11,67.0498,5.65
20408,D_fructose_6_phosphate,bmse000012,12,67.0041,5.36
20409,D_fructose_6_phosphate,bmse000012,13,66.1661,1.42
20410,D_fructose_6_phosphate,bmse000012,14,65.5593,2.38
20411,D_fructose_6_phosphate,bmse000012,15,65.331,9.82
20412,D_glucosamine,bmse000014,1,96.4205,8.72
20413,D_glucosamine,bmse000014,2,92.2506,9.77
20414,D_glucosamine,bmse000014,3,78.8513,9.64
20415,D_glucosamine,bmse000014,4,75.5831,6.35
20416,D_glucosamine,bmse000014,5,74.3295,12.27
20417,D_glucosamine,bmse000014,6,72.756,10.13
20418,D_glucosamine,bmse000014,7,72.4003,6.63
20419,D_glucosamine,bmse000014,8,72.3164,12.5
20420,D_glucosamine,bmse000014,9,63.2588,6.09
20421,D_glucosamine,bmse000014,10,63.0618,8.38
20422,D_glucosamine,bmse000014,11,59.6201,8.02
20423,D_glucosamine,bmse000014,12,57.0959,11.82
20424,D_glucose_6_phosphate,bmse000016,1,98.7788,8.55
20425,D_glucose_6_phosphate,bmse000016,2,94.9276,4.89
20426,D_glucose_6_phosphate,bmse000016,3,78.1764,4.82
20427,D_glucose_6_phosphate,bmse000016,4,78.106,3.56
20428,D_glucose_6_phosphate,bmse000016,5,77.9455,6.69
20429,D_glucose_6_phosphate,bmse000016,6,76.9831,9.41
20430,D_glucose_6_phosphate,bmse000016,7,75.0341,3.92
20431,D_glucose_6_phosphate,bmse000016,8,74.314,4.27
20432,D_glucose_6_phosphate,bmse000016,9,73.8171,2.12
20433,D_glucose_6_phosphate,bmse000016,10,73.7484,2.83
20434,D_glucose_6_phosphate,bmse000016,11,71.7635,12.5
20435,D_glucose_6_phosphate,bmse000016,12,65.5737,3.84
20436,D_glucose_6_phosphate,bmse000016,13,65.5308,3.24
20437,D_glucose_6_phosphate,bmse000016,14,65.4799,2.31
20438,D_maltose,bmse000017,1,102.3099,6.16
20439,D_maltose,bmse000017,2,102.2275,9.38
20440,D_maltose,bmse000017,3,98.4704,10.34
20441,D_maltose,bmse000017,4,94.5912,6.33
20442,D_maltose,bmse000017,5,79.5285,5.17
20443,D_maltose,bmse000017,6,79.3217,8.47
20444,D_maltose,bmse000017,7,78.9276,9.15
20445,D_maltose,bmse000017,8,77.2648,10.83
20446,D_maltose,bmse000017,9,76.7045,8.61
20447,D_maltose,bmse000017,10,75.9471,5.48
20448,D_maltose,bmse000017,11,75.5584,7.84
20449,D_maltose,bmse000017,12,75.5345,10.55
20450,D_maltose,bmse000017,13,75.3859,9.92
20451,D_maltose,bmse000017,14,74.4492,5.89
20452,D_maltose,bmse000017,15,74.3558,8.17
20453,D_maltose,bmse000017,16,73.9924,5.77
20454,D_maltose,bmse000017,17,72.6486,6.16
20455,D_maltose,bmse000017,18,72.0198,8.44
20456,D_maltose,bmse000017,19,63.4361,6.09
20457,D_maltose,bmse000017,20,63.2871,4.41
20458,D_maltose,bmse000017,21,63.1596,12.5
20459,D_ornithine,bmse000019,1,56.8208,12.5
20460,D_ornithine,bmse000019,2,41.5722,10.12
20461,D_ornithine,bmse000019,3,30.1825,12.11
20462,D_ornithine,bmse000019,4,25.4604,8.77
20463,D_threo_isocitric_acid,bmse000025,1,183.683,6.79
20464,D_threo_isocitric_acid,bmse000025,2,182.958,3.11
20465,D_threo_isocitric_acid,bmse000025,3,76.3916,11.16
20466,D_threo_isocitric_acid,bmse000025,4,51.8047,12.5
20467,D_threo_isocitric_acid,bmse000025,5,40.3285,10.98
20468,D_xylulose,bmse000027,1,108.4502,1.01
20469,D_xylulose,bmse000027,2,105.6511,3.08
20470,D_xylulose,bmse000027,3,83.18,3.1
20471,D_xylulose,bmse000027,4,78.9065,11.61
20472,D_xylulose,bmse000027,5,78.5426,3.96
20473,D_xylulose,bmse000027,6,78.011,2.93
20474,D_xylulose,bmse000027,7,77.5565,9.89
20475,D_xylulose,bmse000027,8,74.6749,2.45
20476,D_xylulose,bmse000027,9,74.6163,2.47
20477,D_xylulose,bmse000027,10,72.5201,10.76
20478,D_xylulose,bmse000027,11,68.7345,3.03
20479,D_xylulose,bmse000027,12,65.6799,12.5
20480,D_xylulose,bmse000027,13,65.1062,3.07
20481,D_xylulose,bmse000027,14,64.5556,3.06
20482,fumaric_acid,bmse000083,1,177.424,1.91
20483,fumaric_acid,bmse000083,2,138.042,12.5
20484,gluconic_acid,bmse000084,1,181.3386,1.89
20485,gluconic_acid,bmse000084,2,76.7743,10.33
20486,gluconic_acid,bmse000084,3,75.2613,9.8
20487,gluconic_acid,bmse000084,4,73.8705,12.36
20488,gluconic_acid,bmse000084,5,73.6525,10.2
20489,gluconic_acid,bmse000084,6,65.308,12.5
20490,alpha_D_glucose_1_phosphate,bmse000086,1,96.3867,5.99
20491,alpha_D_glucose_1_phosphate,bmse000086,2,96.3335,6.2
20492,alpha_D_glucose_1_phosphate,bmse000086,3,75.8391,10.34
20493,alpha_D_glucose_1_phosphate,bmse000086,4,74.9392,5.94
20494,alpha_D_glucose_1_phosphate,bmse000086,5,74.871,6.51
20495,alpha_D_glucose_1_phosphate,bmse000086,6,74.7037,12.5
20496,alpha_D_glucose_1_phosphate,bmse000086,7,72.4482,11.49
20497,alpha_D_glucose_1_phosphate,bmse000086,8,63.3999,9.58
20498,alpha_D_glucose_1_6_bisphosphate,bmse000087,1,96.6014,6.13
20499,alpha_D_glucose_1_6_bisphosphate,bmse000087,2,96.5465,7.96
20500,alpha_D_glucose_1_6_bisphosphate,bmse000087,3,75.3449,11.03
20501,alpha_D_glucose_1_6_bisphosphate,bmse000087,4,75.0612,6.57
20502,alpha_D_glucose_1_6_bisphosphate,bmse000087,5,74.9873,7.68
20503,alpha_D_glucose_1_6_bisphosphate,bmse000087,6,74.3802,6.65
20504,alpha_D_glucose_1_6_bisphosphate,bmse000087,7,74.317,7.4
20505,alpha_D_glucose_1_6_bisphosphate,bmse000087,8,71.5781,12.5
20506,alpha_D_glucose_1_6_bisphosphate,bmse000087,9,65.3993,4.84
20507,alpha_D_glucose_1_6_bisphosphate,bmse000087,10,65.3536,5.06
20508,glycine,bmse000089,1,175.1557,1.97
20509,glycine,bmse000089,2,44.1252,12.5
20510,guanine,bmse000090,1,170.3632,9.04
20511,guanine,bmse000090,2,163.6535,12.5
20512,guanine,bmse000090,3,161.8796,11.9
20513,guanine,bmse000090,4,120.9619,9.12
20514,guanosine,bmse000091,1,170.5025,1.71
20515,guanosine,bmse000091,2,163.3657,1.47
20516,guanosine,bmse000091,3,153.5645,2.67
20517,guanosine,bmse000091,4,139.3656,9.14
20518,guanosine,bmse000091,5,121.0084,1.46
20519,guanosine,bmse000091,6,90.841,11.95
20520,guanosine,bmse000091,7,88.5938,12.21
20521,guanosine,bmse000091,8,75.8197,12.21
20522,guanosine,bmse000091,9,73.7609,12.5
20523,guanosine,bmse000091,10,64.5009,9.96
20524,4_hydroxybenzoic_acid,bmse000092,1,161.2131,1.26
20525,4_hydroxybenzoic_acid,bmse000092,2,133.942,12.5
20526,4_hydroxybenzoic_acid,bmse000092,3,130.8287,1.62
20527,4_hydroxybenzoic_acid,bmse000092,4,117.592,10.22
20528,trans_3_hydroxycinnamic_acid,bmse000093,1,178.4192,2.27
20529,trans_3_hydroxycinnamic_acid,bmse000093,2,158.5422,3.6
20530,trans_3_hydroxycinnamic_acid,bmse000093,3,143.1901,8.95
20531,trans_3_hydroxycinnamic_acid,bmse000093,4,139.6042,3.48
20532,trans_3_hydroxycinnamic_acid,bmse000093,5,133.0298,11.46
20533,trans_3_hydroxycinnamic_acid,bmse000093,6,127.174,8.41
20534,trans_3_hydroxycinnamic_acid,bmse000093,7,122.9365,12.5
20535,trans_3_hydroxycinnamic_acid,bmse000093,8,119.3249,10.36
20536,trans_3_hydroxycinnamic_acid,bmse000093,9,116.6163,10.36
20537,hypoxanthine,bmse000094,1,164.9523,1.17
20538,hypoxanthine,bmse000094,2,159.7264,2.08
20539,hypoxanthine,bmse000094,3,150.37,10.69
20540,hypoxanthine,bmse000094,4,149.1756,12.5
20541,hypoxanthine,bmse000094,5,123.2364,1.06
20542,imidazole,bmse000096,1,137.7708,3.03
20543,imidazole,bmse000096,2,123.4233,12.5
20544,indole,bmse000097,1,138.3981,1.25
20545,indole,bmse000097,2,130.4755,1.24
20546,indole,bmse000097,3,126.7831,8.65
20547,indole,bmse000097,4,124.6229,12.5
20548,indole,bmse000097,5,123.3758,10.66
20549,indole,bmse000097,6,122.4493,10.48
20550,indole,bmse000097,7,113.6756,9.74
20551,indole,bmse000097,8,105.2378,11.58
20552,inosine,bmse000098,1,151.078,2.3
20553,inosine,bmse000098,2,148.9185,8.98
20554,inosine,bmse000098,3,142.8874,7.4
20555,inosine,bmse000098,4,126.8411,1.65
20556,inosine,bmse000098,5,91.1086,8.08
20557,inosine,bmse000098,6,88.2694,11.43
20558,inosine,bmse000098,7,76.7759,12.5
20559,inosine,bmse000098,8,73.0828,10.32
20560,inosine,bmse000098,9,64.0173,8.72
20561,i_erythritol,bmse000095,1,74.6148,12.5
20562,i_erythritol,bmse000095,2,65.3077,8.45
20563,L_alanine,bmse000028,1,178.5574,1.16
20564,L_alanine,bmse000028,2,53.2035,9.48
20565,L_alanine,bmse000028,3,18.8465,12.5
20566,L_arginine,bmse000029,1,177.2125,3.21
20567,L_arginine,bmse000029,2,57.0216,10.14
20568,L_arginine,bmse000029,3,43.2011,12.5
20569,L_arginine,bmse000029,4,30.2885,11.19
20570,L_arginine,bmse000029,5,26.5758,9.54
20571,L_asparagine,bmse000030,1,177.1771,1.47
20572,L_asparagine,bmse000030,2,176.209,1.94
20573,L_asparagine,bmse000030,3,53.9932,12.5
20574,L_asparagine,bmse000030,4,37.2983,11.26
20575,L_aspartic_acid,bmse000031,1,180.297,3.41
20576,L_aspartic_acid,bmse000031,2,176.9954,2.67
20577,L_aspartic_acid,bmse000031,3,54.9142,11.68
20578,L_aspartic_acid,bmse000031,4,39.2604,12.5
20579,L_citrulline,bmse000032,1,177.3878,3.15
20580,L_citrulline,bmse000032,2,164.2805,1.25
20581,L_citrulline,bmse000032,3,57.2048,11.84
20582,L_citrulline,bmse000032,4,41.9551,1.88
20583,L_citrulline,bmse000032,5,30.4444,12.5
20584,L_citrulline,bmse000032,6,27.6682,7.93
20585,L_cystathionine,bmse000033,1,56.4392,8
20586,L_cystathionine,bmse000033,2,56.2614,10.81
20587,L_cystathionine,bmse000033,3,34.8058,9.84
20588,L_cystathionine,bmse000033,4,32.8913,9.2
20589,L_cystathionine,bmse000033,5,29.7625,12.5
20590,L_cysteine,bmse000034,1,58.731,9.48
20591,L_cysteine,bmse000034,2,27.687,12.5
20592,L_cystine,bmse000035,1,183.331,3.03
20593,L_cystine,bmse000035,2,57.5783,12.5
20594,L_cystine,bmse000035,3,46.0281,10.99
20595,L_fucose,bmse000036,1,98.936,11.78
20596,L_fucose,bmse000036,2,94.9206,4.76
20597,L_fucose,bmse000036,3,75.6252,9.59
20598,L_fucose,bmse000036,4,74.6014,4.86
20599,L_fucose,bmse000036,5,74.3627,10.92
20600,L_fucose,bmse000036,6,74.1543,8.8
20601,L_fucose,bmse000036,7,73.586,9.85
20602,L_fucose,bmse000036,8,71.9701,4.6
20603,L_fucose,bmse000036,9,70.7832,3.67
20604,L_fucose,bmse000036,10,69.0314,4.4
20605,L_fucose,bmse000036,11,18.2232,12.5
20606,L_glutamic_acid,bmse000037,1,184.0438,2.16
20607,L_glutamic_acid,bmse000037,2,177.297,1.79
20608,L_glutamic_acid,bmse000037,3,57.3356,12.29
20609,L_glutamic_acid,bmse000037,4,36.1753,9.58
20610,L_glutamic_acid,bmse000037,5,29.6742,12.5
20611,L_glutamine,bmse000038,1,180.3694,1.86
20612,L_glutamine,bmse000038,2,176.8264,2.47
20613,L_glutamine,bmse000038,3,56.8326,9.96
20614,L_glutamine,bmse000038,4,33.528,10.99
20615,L_glutamine,bmse000038,5,28.9528,12.5
20616,L_histidine,bmse000039,1,176.6511,1.83
20617,L_histidine,bmse000039,2,138.9728,9.16
20618,L_histidine,bmse000039,3,134.6686,2.25
20619,L_histidine,bmse000039,4,119.5492,8.47
20620,L_histidine,bmse000039,5,57.4737,12.5
20621,L_histidine,bmse000039,6,30.7804,11.71
20622,L_homoserine,bmse000040,1,177.2374,1.7
20623,L_homoserine,bmse000040,2,61.3363,12.5
20624,L_homoserine,bmse000040,3,56.0719,8.39
20625,L_homoserine,bmse000040,4,34.8823,11.17
20626,L_isoleucine,bmse000041,1,176.9223,1.89
20627,L_isoleucine,bmse000041,2,62.2493,12.5
20628,L_isoleucine,bmse000041,3,38.5957,9.56
20629,L_isoleucine,bmse000041,4,27.1531,12.15
20630,L_isoleucine,bmse000041,5,17.3893,8.4
20631,L_isoleucine,bmse000041,6,13.8035,7.76
20632,L_leucine,bmse000042,1,178.3284,2.9
20633,L_leucine,bmse000042,2,56.1175,11.06
20634,L_leucine,bmse000042,3,42.5151,11.41
20635,L_leucine,bmse000042,4,26.8579,12.5
20636,L_leucine,bmse000042,5,24.7283,9.43
20637,L_leucine,bmse000042,6,23.5808,12.45
20638,L_lysine,bmse000043,1,177.4077,2.58
20639,L_lysine,bmse000043,2,57.1969,9.77
20640,L_lysine,bmse000043,3,41.7595,10.04
20641,L_lysine,bmse000043,4,32.6068,10.59
20642,L_lysine,bmse000043,5,29.1125,12.5
20643,L_lysine,bmse000043,6,24.1325,10.95
20644,malic_acid,bmse000046,1,183.7669,2.25
20645,malic_acid,bmse000046,2,182.5706,2
20646,malic_acid,bmse000046,3,73.0495,9.52
20647,malic_acid,bmse000046,4,45.3174,12.5
20648,L_methionine,bmse000044,1,177.0256,1.63
20649,L_methionine,bmse000044,2,56.5949,11.7
20650,L_methionine,bmse000044,3,32.3948,11.02
20651,L_methionine,bmse000044,4,31.5117,12.5
20652,L_methionine,bmse000044,5,16.6207,5.66
20653,L_phenylalanine,bmse000045,1,137.8245,2.32
20654,L_phenylalanine,bmse000045,2,132.08,12.5
20655,L_phenylalanine,bmse000045,3,131.8234,9.6
20656,L_phenylalanine,bmse000045,4,130.4017,5.37
20657,L_phenylalanine,bmse000045,5,58.7477,5.25
20658,L_phenylalanine,bmse000045,6,39.0993,5.55
20659,L_proline,bmse000047,1,177.4144,1.3
20660,L_proline,bmse000047,2,63.9229,11.05
20661,L_proline,bmse000047,3,48.7631,9.32
20662,L_proline,bmse000047,4,31.6863,12.5
20663,L_proline,bmse000047,5,26.4548,9.6
20664,L_serine,bmse000048,1,62.8928,12.5
20665,L_serine,bmse000048,2,59.0815,8.62
20666,L_threonine,bmse000049,1,175.6411,1.16
20667,L_threonine,bmse000049,2,68.6408,12.03
20668,L_threonine,bmse000049,3,63.1368,12.5
20669,L_threonine,bmse000049,4,22.1352,12.2
20670,L_tryptophan,bmse000050,1,177.255,2.71
20671,L_tryptophan,bmse000050,2,139.0401,1.59
20672,L_tryptophan,bmse000050,3,129.3512,1.89
20673,L_tryptophan,bmse000050,4,127.7463,10.84
20674,L_tryptophan,bmse000050,5,124.8346,12.27
20675,L_tryptophan,bmse000050,6,122.1638,12.5
20676,L_tryptophan,bmse000050,7,121.1566,12.38
20677,L_tryptophan,bmse000050,8,114.6587,10.23
20678,L_tryptophan,bmse000050,9,110.1782,4.04
20679,L_tryptophan,bmse000050,10,57.7537,11.28
20680,L_tryptophan,bmse000050,11,29.1016,11.57
20681,L_tyrosine,bmse000051,1,184.1279,1.35
20682,L_tyrosine,bmse000051,2,163.7886,1.13
20683,L_tyrosine,bmse000051,3,133.3998,10.61
20684,L_tyrosine,bmse000051,4,128.0459,2.21
20685,L_tyrosine,bmse000051,5,120.2955,12.5
20686,L_tyrosine,bmse000051,6,60.0412,5.12
20687,L_tyrosine,bmse000051,7,41.8233,4.45
20688,L_valine,bmse000052,1,63.0706,10.1
20689,L_valine,bmse000052,2,31.7958,11.73
20690,L_valine,bmse000052,3,20.6547,12.29
20691,L_valine,bmse000052,4,19.3267,12.5
20692,D_mannitol,bmse000099,1,73.4901,12.5
20693,D_mannitol,bmse000099,2,71.9258,8.62
20694,D_mannitol,bmse000099,3,65.9197,11.81
20695,meso_erythritol,bmse000100,1,74.6159,12.5
20696,meso_erythritol,bmse000100,2,65.309,8.37
20697,methyl_oxobutanoic_acid,bmse000101,1,39.7045,5.48
20698,methyl_oxobutanoic_acid,bmse000101,2,19.0607,12.5
20699,muco_inositol,bmse000102,1,75.0137,6.8
20700,muco_inositol,bmse000102,2,72.8728,12.5
20701,myo_inositol,bmse000103,1,77.0519,5.9
20702,myo_inositol,bmse000103,2,75.1054,12.5
20703,myo_inositol,bmse000103,3,74.8867,4.4
20704,myo_inositol,bmse000103,4,73.8316,10.8
20705,NAD,bmse000053,1,167.8653,3.69
20706,NAD,bmse000053,2,158.0181,4.21
20707,NAD,bmse000053,3,155.468,8.5
20708,NAD,bmse000053,4,151.5966,5.8
20709,NAD,bmse000053,5,148.4441,6.77
20710,NAD,bmse000053,6,145.0618,5.64
20711,NAD,bmse000053,7,142.6338,5.11
20712,NAD,bmse000053,8,142.3914,7.13
20713,NAD,bmse000053,9,136.3277,6.28
20714,NAD,bmse000053,10,131.3233,7.72
20715,NAD,bmse000053,11,121.0165,3.15
20716,NAD,bmse000053,12,102.7367,9.04
20717,NAD,bmse000053,13,89.7361,5.45
20718,NAD,bmse000053,14,89.6488,5.15
20719,NAD,bmse000053,15,89.3547,10.54
20720,NAD,bmse000053,16,86.5859,5.25
20721,NAD,bmse000053,17,86.4979,5.24
20722,NAD,bmse000053,18,80.3065,12.5
20723,NAD,bmse000053,19,76.6526,12.24
20724,NAD,bmse000053,20,73.2929,11.75
20725,NAD,bmse000053,21,73.0829,11.48
20726,NAD,bmse000053,22,68.1579,4.36
20727,NAD,bmse000053,23,68.1059,4.27
20728,NAD,bmse000053,24,67.6491,4.7
20729,NAD,bmse000053,25,67.5973,4.24
20730,NADH,bmse000054,1,175.3474,5.48
20731,NADH,bmse000054,2,158.1968,4.24
20732,NADH,bmse000054,3,155.4171,8.83
20733,NADH,bmse000054,4,151.5844,5.71
20734,NADH,bmse000054,5,142.3515,6.8
20735,NADH,bmse000054,6,141.1257,9.71
20736,NADH,bmse000054,7,126.4094,7.79
20737,NADH,bmse000054,8,121.2963,4.16
20738,NADH,bmse000054,9,108.0387,9.52
20739,NADH,bmse000054,10,102.5371,7.01
20740,NADH,bmse000054,11,97.7448,9.22
20741,NADH,bmse000054,12,89.7936,11.06
20742,NADH,bmse000054,13,86.3582,5.51
20743,NADH,bmse000054,14,85.0981,5.6
20744,NADH,bmse000054,15,77.2518,12.23
20745,NADH,bmse000054,16,73.4643,12.14
20746,NADH,bmse000054,17,73.2824,12.5
20747,NADH,bmse000054,18,72.9239,9.04
20748,NADH,bmse000054,19,68.6321,4.65
20749,NADH,bmse000054,20,67.8556,4.52
20750,NADH,bmse000054,21,24.5551,8.23
20751,NADH,bmse000054,22,19.5029,3.45
20752,NADPH,bmse000055,1,175.4549,3.91
20753,NADPH,bmse000055,2,158.2562,4.4
20754,NADPH,bmse000055,3,155.3726,8.4
20755,NADPH,bmse000055,4,151.6612,4.78
20756,NADPH,bmse000055,5,142.7666,6.52
20757,NADPH,bmse000055,6,141.0746,8.37
20758,NADPH,bmse000055,7,126.4637,8.6
20759,NADPH,bmse000055,8,108.0154,8.41
20760,NADPH,bmse000055,9,102.5834,6.37
20761,NADPH,bmse000055,10,97.6847,9.4
20762,NADPH,bmse000055,11,89.5671,4.71
21521,FAD,bmse000226,2,160.4644,6.44
20763,NADPH,bmse000055,12,89.4832,4.7
20764,NADPH,bmse000055,13,85.6232,4.52
20765,NADPH,bmse000055,14,85.136,4.45
20766,NADPH,bmse000055,15,79.2632,4.94
20767,NADPH,bmse000055,16,73.4756,12.5
20768,NADPH,bmse000055,17,73.324,11.5
20769,NADPH,bmse000055,18,72.7309,8.21
20770,NADPH,bmse000055,19,68.5416,4.39
20771,NADPH,bmse000055,20,67.9571,5.25
20772,NADPH,bmse000055,21,24.6213,6.74
20773,niacin,bmse000104,1,176.0593,0.88
20774,niacin,bmse000104,2,153.1473,12.5
20775,niacin,bmse000104,3,151.7346,9.43
20776,niacin,bmse000104,4,140.3918,11.16
20777,niacin,bmse000104,5,135.0395,2.37
20778,niacin,bmse000104,6,126.6461,10.94
20779,nicotine,bmse000105,1,152.9553,11.86
20780,nicotine,bmse000105,2,151.8079,8.39
20781,nicotine,bmse000105,3,139.9786,11.24
20782,nicotine,bmse000105,4,132.2848,2.82
20783,nicotine,bmse000105,5,127.6138,11.08
20784,nicotine,bmse000105,6,72.3903,8.23
20785,nicotine,bmse000105,7,58.7754,9.8
20786,nicotine,bmse000105,8,40.9138,11.41
20787,nicotine,bmse000105,9,33.0757,8.96
20788,nicotine,bmse000105,10,24.2203,12.5
20789,N_acetylneuraminic_acid,bmse000057,1,179.4931,2.99
20790,N_acetylneuraminic_acid,bmse000057,2,177.4691,5.36
20791,N_acetylneuraminic_acid,bmse000057,3,99.1066,6.81
20792,N_acetylneuraminic_acid,bmse000057,4,73.0136,10.35
20793,N_acetylneuraminic_acid,bmse000057,5,72.9084,11.02
20794,N_acetylneuraminic_acid,bmse000057,6,71.2583,9.48
20795,N_acetylneuraminic_acid,bmse000057,7,70.0063,10.08
20796,N_acetylneuraminic_acid,bmse000057,8,66.0063,10.13
20797,N_acetylneuraminic_acid,bmse000057,9,54.9693,12.5
20798,N_acetylneuraminic_acid,bmse000057,10,42.0905,8.84
20799,N_acetylneuraminic_acid,bmse000057,11,24.8195,11.34
20800,N_acetyl_D_mannosamine,bmse000056,1,178.4248,1.93
20801,N_acetyl_D_mannosamine,bmse000056,2,177.4968,2.6
20802,N_acetyl_D_mannosamine,bmse000056,3,95.8209,8.31
20803,N_acetyl_D_mannosamine,bmse000056,4,95.688,9.13
20804,N_acetyl_D_mannosamine,bmse000056,5,79.0399,10.23
20805,N_acetyl_D_mannosamine,bmse000056,6,74.7525,9.08
20806,N_acetyl_D_mannosamine,bmse000056,7,74.6939,8.91
20807,N_acetyl_D_mannosamine,bmse000056,8,71.5593,11.26
20808,N_acetyl_D_mannosamine,bmse000056,9,69.4618,11.11
20809,N_acetyl_D_mannosamine,bmse000056,10,69.1894,8.23
20810,N_acetyl_D_mannosamine,bmse000056,11,63.0714,12.5
20811,N_acetyl_D_mannosamine,bmse000056,12,56.7834,6.76
20812,N_acetyl_D_mannosamine,bmse000056,13,55.9143,11.74
20813,N_acetyl_D_mannosamine,bmse000056,14,24.7467,6.42
20814,N_acetyl_D_mannosamine,bmse000056,15,24.6103,7.83
20815,oxalate,bmse000106,1,176.1386,12.5
20816,O_succinyl_L_homoserine,bmse000058,1,183.8863,2.56
20817,O_succinyl_L_homoserine,bmse000058,2,178.3647,2.14
20818,O_succinyl_L_homoserine,bmse000058,3,176.7702,2.64
20819,O_succinyl_L_homoserine,bmse000058,4,64.4599,9.53
20820,O_succinyl_L_homoserine,bmse000058,5,55.5165,8.79
20821,O_succinyl_L_homoserine,bmse000058,6,35.6935,1.47
20822,O_succinyl_L_homoserine,bmse000058,7,34.6435,11.39
20823,O_succinyl_L_homoserine,bmse000058,8,33.1998,12.5
20824,O_succinyl_L_homoserine,bmse000058,9,32.0477,7.9
20825,phosphoenolpyruvic_acid,bmse000107,1,152.4983,4.37
20826,phosphoenolpyruvic_acid,bmse000107,2,152.4267,2.42
20827,phosphoenolpyruvic_acid,bmse000107,3,102.8677,10.91
20828,phosphoenolpyruvic_acid,bmse000107,4,102.8401,12.5
20829,prephenic_acid,bmse000108,1,134.012,12.19
20830,prephenic_acid,bmse000108,2,130.3553,12.5
20831,prephenic_acid,bmse000108,3,64.0727,7.77
20832,prephenic_acid,bmse000108,4,51.2462,2.5
20833,prephenic_acid,bmse000108,5,50.6545,5.86
20834,putrescine,bmse000109,1,41.551,11.73
20835,putrescine,bmse000109,2,26.5984,12.5
20836,pyridoxal,bmse000110,1,161.5671,1.78
20837,pyridoxal,bmse000110,2,148.0785,2.3
20838,pyridoxal,bmse000110,3,140.9568,3.28
20839,pyridoxal,bmse000110,4,139.5279,4.52
20840,pyridoxal,bmse000110,5,120.0727,6.07
20841,pyridoxal,bmse000110,6,102.0212,10.48
20842,pyridoxal,bmse000110,7,72.5072,12.5
20843,pyridoxal,bmse000110,8,17.5108,7.09
20844,pyridoxal_5_phosphate,bmse000111,1,198.7901,4.06
20845,pyridoxal_5_phosphate,bmse000111,2,154.2739,7.56
20846,pyridoxal_5_phosphate,bmse000111,3,139.0553,2.73
20847,pyridoxal_5_phosphate,bmse000111,4,138.9802,2.7
20848,pyridoxal_5_phosphate,bmse000111,5,128.8539,3.48
20849,pyridoxal_5_phosphate,bmse000111,6,126.7748,3.24
20850,pyridoxal_5_phosphate,bmse000111,7,91.4524,2.95
20851,pyridoxal_5_phosphate,bmse000111,8,64.4322,9.86
20852,pyridoxal_5_phosphate,bmse000111,9,64.3954,7.79
20853,pyridoxal_5_phosphate,bmse000111,10,18.7125,12.5
20854,pyridoxal_5_phosphate,bmse000111,11,17.3618,2.26
20855,pyridoxamine,bmse000130,1,165.5851,1.63
20856,pyridoxamine,bmse000130,2,148.1236,2.38
20857,pyridoxamine,bmse000130,3,138.2661,5.06
20858,pyridoxamine,bmse000130,4,134.7636,2.63
20859,pyridoxamine,bmse000130,5,126.6506,8.52
20860,pyridoxamine,bmse000130,6,61.8257,9.73
20861,pyridoxamine,bmse000130,7,39.2287,12.5
20862,pyridoxamine,bmse000130,8,18.1093,10.27
20863,pyridoxamine_5_phosphate,bmse000131,1,165.6996,3.42
20864,pyridoxamine_5_phosphate,bmse000131,2,147.3396,4.49
20865,pyridoxamine_5_phosphate,bmse000131,3,137.5932,4.37
20866,pyridoxamine_5_phosphate,bmse000131,4,137.5201,3.66
20867,pyridoxamine_5_phosphate,bmse000131,5,135.8735,6.9
20868,pyridoxamine_5_phosphate,bmse000131,6,125.9833,8.38
20869,pyridoxamine_5_phosphate,bmse000131,7,64.3374,8.14
20870,pyridoxamine_5_phosphate,bmse000131,8,64.2962,7.45
20871,pyridoxamine_5_phosphate,bmse000131,9,38.955,12.5
20872,pyridoxamine_5_phosphate,bmse000131,10,17.7372,11.91
20873,scyllo_inositol,bmse000113,1,76.2821,12.5
20874,shikimic_acid,bmse000114,1,178.0757,1.84
20875,shikimic_acid,bmse000114,2,138.7121,3.69
20876,shikimic_acid,bmse000114,3,133.2065,8.63
20877,shikimic_acid,bmse000114,4,74.7462,8.91
20878,shikimic_acid,bmse000114,5,69.5201,11.73
20879,shikimic_acid,bmse000114,6,68.9871,12.5
20880,shikimic_acid,bmse000114,7,35.3685,8.86
20881,D_sorbitol,bmse000115,1,75.6364,11.8
20882,D_sorbitol,bmse000115,2,73.7844,11.91
20883,D_sorbitol,bmse000115,3,73.6628,11.46
20884,D_sorbitol,bmse000115,4,72.3478,12.5
20885,D_sorbitol,bmse000115,5,65.5074,7.86
20886,D_sorbitol,bmse000115,6,65.1126,9.65
20887,spermidine,bmse000116,1,49.7685,12.5
20888,spermidine,bmse000116,2,47.255,9.6
20889,spermidine,bmse000116,3,41.5152,10.94
20890,spermidine,bmse000116,4,39.2998,10.61
20891,spermidine,bmse000116,5,26.64,10.09
20892,spermidine,bmse000116,6,26.5227,9.51
20893,spermidine,bmse000116,7,25.4882,11.59
20894,spermine,bmse000117,1,50.4642,10.16
20895,spermine,bmse000117,2,48.3361,12.5
20896,spermine,bmse000117,3,40.6981,12.1
20897,spermine,bmse000117,4,30.823,7.1
20898,spermine,bmse000117,5,27.6835,10.97
20899,succinic_acid,bmse000118,1,185.1648,1.78
20900,succinic_acid,bmse000118,2,36.8897,12.5
20901,sucrose,bmse000119,1,106.3887,6.15
20902,sucrose,bmse000119,2,94.8829,11.39
20903,sucrose,bmse000119,3,84.0666,11.94
20904,sucrose,bmse000119,4,79.0967,11.54
20905,sucrose,bmse000119,5,76.6892,12.13
20906,sucrose,bmse000119,6,75.2562,11.56
20907,sucrose,bmse000119,7,75.107,12.4
20908,sucrose,bmse000119,8,73.7694,11.94
20909,sucrose,bmse000119,9,71.9114,12.5
20910,sucrose,bmse000119,10,65.0741,11.11
20911,sucrose,bmse000119,11,64.0305,10.38
20912,sucrose,bmse000119,12,62.8059,9.96
20913,S_adenosyl_L_methionine,bmse000059,1,177.2049,1.06
20914,S_adenosyl_L_methionine,bmse000059,2,175.5374,3.57
20915,S_adenosyl_L_methionine,bmse000059,3,158.2573,4.07
20916,S_adenosyl_L_methionine,bmse000059,4,158.1473,1.23
20917,S_adenosyl_L_methionine,bmse000059,5,155.5574,8.68
20918,S_adenosyl_L_methionine,bmse000059,6,155.4871,3.71
20919,S_adenosyl_L_methionine,bmse000059,7,154.9459,1.28
20920,S_adenosyl_L_methionine,bmse000059,8,151.4918,1.4
20921,S_adenosyl_L_methionine,bmse000059,9,151.3094,4.84
20922,S_adenosyl_L_methionine,bmse000059,10,143.3489,7.53
20923,S_adenosyl_L_methionine,bmse000059,11,142.6447,2.96
20924,S_adenosyl_L_methionine,bmse000059,12,121.7408,3.05
20925,S_adenosyl_L_methionine,bmse000059,13,91.8,12.5
20926,S_adenosyl_L_methionine,bmse000059,14,90.1262,1.08
20927,S_adenosyl_L_methionine,bmse000059,15,90.0407,3.67
20928,S_adenosyl_L_methionine,bmse000059,16,85.9474,3.7
20929,S_adenosyl_L_methionine,bmse000059,17,81.4782,2.83
20930,S_adenosyl_L_methionine,bmse000059,18,80.8642,9.06
20931,S_adenosyl_L_methionine,bmse000059,19,76.1774,4.19
20932,S_adenosyl_L_methionine,bmse000059,20,75.6933,3.46
20933,S_adenosyl_L_methionine,bmse000059,21,75.4417,10.55
20934,S_adenosyl_L_methionine,bmse000059,22,75.2896,11.21
20935,S_adenosyl_L_methionine,bmse000059,23,75.2102,3.9
20936,S_adenosyl_L_methionine,bmse000059,24,75.0576,4.66
20937,S_adenosyl_L_methionine,bmse000059,25,61.3914,4.52
20938,S_adenosyl_L_methionine,bmse000059,26,60.181,3.6
20939,S_adenosyl_L_methionine,bmse000059,27,56.1328,4.11
20940,S_adenosyl_L_methionine,bmse000059,28,55.5398,11.64
20941,S_adenosyl_L_methionine,bmse000059,29,55.4732,3.85
20942,S_adenosyl_L_methionine,bmse000059,30,51.6245,1.02
20943,S_adenosyl_L_methionine,bmse000059,31,47.0027,7.3
20944,S_adenosyl_L_methionine,bmse000059,32,41.6503,2.53
20945,S_adenosyl_L_methionine,bmse000059,33,41.5608,8
20946,S_adenosyl_L_methionine,bmse000059,34,39.296,1.04
20947,S_adenosyl_L_methionine,bmse000059,35,38.5747,3.27
20948,S_adenosyl_L_methionine,bmse000059,36,34.9032,4.07
20949,S_adenosyl_L_methionine,bmse000059,37,28.138,8.12
20950,S_adenosyl_L_methionine,bmse000059,38,27.9802,2.58
20951,S_adenosyl_L_methionine,bmse000059,39,26.5384,1.05
20952,S_adenosyl_L_methionine,bmse000059,40,26.4688,3.89
20953,S_adenosyl_L_methionine,bmse000059,41,26.1398,11.37
20954,S_adenosyl_L_methionine,bmse000059,42,19.5416,3.82
20955,S_adenosyl_L_methionine,bmse000059,43,18.0425,2.93
20956,taurine,bmse000120,1,50.2124,12.5
20957,taurine,bmse000120,2,38.0682,11.7
20958,L_threitol,bmse000121,1,74.3047,12.5
20959,L_threitol,bmse000121,2,65.3263,12.42
20960,trans_4_hydroxy_L_proline,bmse000123,1,177.0263,1.29
20961,trans_4_hydroxy_L_proline,bmse000123,2,72.7686,12.34
20962,trans_4_hydroxy_L_proline,bmse000123,3,62.5265,8.41
20963,trans_4_hydroxy_L_proline,bmse000123,4,55.643,12.5
20964,trans_4_hydroxy_L_proline,bmse000123,5,40.1298,9.82
20965,trans_cinnamic_acid,bmse000124,1,143.5556,4.31
20966,trans_cinnamic_acid,bmse000124,2,137.8775,1.34
20967,trans_cinnamic_acid,bmse000124,3,132.3324,6.15
20968,trans_cinnamic_acid,bmse000124,4,131.6902,9.94
20969,trans_cinnamic_acid,bmse000124,5,130.4135,12.5
20970,trans_cinnamic_acid,bmse000124,6,126.8267,3.92
20971,D_trehalose,bmse000125,1,95.9171,12.5
20972,D_trehalose,bmse000125,2,75.2081,11.88
20973,D_trehalose,bmse000125,3,74.8491,10.1
20974,D_trehalose,bmse000125,4,73.7422,9.97
20975,D_trehalose,bmse000125,5,72.3894,11.58
20976,D_trehalose,bmse000125,6,63.2132,8.55
20977,uric_acid,bmse000126,1,167.6653,6.04
20978,uric_acid,bmse000126,2,165.3393,12.5
20979,uric_acid,bmse000126,3,162.2146,6.72
20980,uric_acid,bmse000126,4,156.4958,8.87
20981,uric_acid,bmse000126,5,104.5779,6.55
20982,xanthine,bmse000127,1,163.3303,1.9
20983,xanthine,bmse000127,2,161.9958,1.23
20984,xanthine,bmse000127,3,158.0123,1.54
20985,xanthine,bmse000127,4,142.7225,12.5
20986,xanthine,bmse000127,5,116.2503,1.15
20987,xanthosine,bmse000128,1,163.7475,1.41
20988,xanthosine,bmse000128,2,162.2764,1.3
20989,xanthosine,bmse000128,3,155.8547,2.56
20990,xanthosine,bmse000128,4,140.0607,9.27
20991,xanthosine,bmse000128,5,118.2068,1.28
20992,xanthosine,bmse000128,6,90.6608,11.73
20993,xanthosine,bmse000128,7,88.5324,12.41
20994,xanthosine,bmse000128,8,75.9737,12.5
20995,xanthosine,bmse000128,9,73.5577,11.03
20996,xanthosine,bmse000128,10,64.3556,8.81
20997,xylitol,bmse000129,1,74.6275,11.33
20998,xylitol,bmse000129,2,73.4743,6.7
20999,xylitol,bmse000129,3,65.3143,12.5
21000,tyramine,bmse000243,1,157.2984,1.41
21001,tyramine,bmse000243,2,132.9956,12.5
21002,tyramine,bmse000243,3,131.1649,2.03
21003,tyramine,bmse000243,4,118.5125,12.18
21004,tyramine,bmse000243,5,43.4518,5.34
21005,tyramine,bmse000243,6,34.6329,6.06
21006,L_carnosine,bmse000246,1,180.2008,3.84
21007,L_carnosine,bmse000246,2,174.3323,4.86
21008,L_carnosine,bmse000246,3,137.5197,9.53
21009,L_carnosine,bmse000246,4,134.6631,4.69
21010,L_carnosine,bmse000246,5,119.8491,10.48
21011,L_carnosine,bmse000246,6,57.5784,11.65
21012,L_carnosine,bmse000246,7,38.3703,11.44
21013,L_carnosine,bmse000246,8,34.7671,12.5
21014,L_carnosine,bmse000246,9,30.9947,9.98
21015,glycolate,bmse000245,1,182.6562,5.25
21016,glycolate,bmse000245,2,63.9098,12.5
21017,1_3_dimethylurea,bmse000248,1,29.1399,12.5
21018,D_glucosamine,bmse000247,1,96.7337,8.51
21019,D_glucosamine,bmse000247,2,92.4167,12.41
21020,D_glucosamine,bmse000247,3,78.843,9.89
21021,D_glucosamine,bmse000247,4,75.8685,8.3
21022,D_glucosamine,bmse000247,5,74.3489,12.5
21023,D_glucosamine,bmse000247,6,72.9419,11.22
21024,D_glucosamine,bmse000247,7,72.4037,9.8
21025,D_glucosamine,bmse000247,8,72.3301,12.04
21026,D_glucosamine,bmse000247,9,63.2894,7.62
21027,D_glucosamine,bmse000247,10,63.0782,11.08
21028,D_glucosamine,bmse000247,11,59.6847,8.44
21029,D_glucosamine,bmse000247,12,57.1428,11.73
21030,isethionic_acid,bmse000242,1,59.6397,12.02
21031,isethionic_acid,bmse000242,2,55.5295,12.5
21032,N_N_dimethylglycine,bmse000241,1,62.5717,6.55
21033,N_N_dimethylglycine,bmse000241,2,46.2286,12.5
21034,dihydroxyacetone,bmse000144,1,214.7833,3.78
21035,dihydroxyacetone,bmse000144,2,97.773,1.6
21036,dihydroxyacetone,bmse000144,3,66.2429,12.5
21037,N_acetyl_L_glutamine,bmse000145,1,181.3622,2.37
21038,N_acetyl_L_glutamine,bmse000145,2,181.1277,3.44
21039,N_acetyl_L_glutamine,bmse000145,3,176.3862,3.32
21040,N_acetyl_L_glutamine,bmse000145,4,57.3658,12.5
21041,N_acetyl_L_glutamine,bmse000145,5,34.4405,9.75
21042,N_acetyl_L_glutamine,bmse000145,6,30.4549,10.18
21043,N_acetyl_L_glutamine,bmse000145,7,24.6247,9.17
21044,ADA,bmse000146,1,180.0279,1.66
21045,ADA,bmse000146,2,60.0622,12.5
21046,ADA,bmse000146,3,59.955,1.44
21047,4_aminoantipyrine,bmse000147,1,144.7673,1.72
21048,4_aminoantipyrine,bmse000147,2,135.763,1.74
21049,4_aminoantipyrine,bmse000147,3,132.3952,12.5
21050,4_aminoantipyrine,bmse000147,4,131.8174,5.85
21051,4_aminoantipyrine,bmse000147,5,129.3212,12.35
21052,4_aminoantipyrine,bmse000147,6,37.2322,4.81
21053,4_aminoantipyrine,bmse000147,7,11.7408,4.42
21054,acetylcarnitine,bmse000142,1,179.354,4.03
21522,FAD,bmse000226,3,157.4008,5.27
21055,acetylcarnitine,bmse000142,2,175.4615,4.06
21056,acetylcarnitine,bmse000142,3,70.835,4.53
21057,acetylcarnitine,bmse000142,4,69.5734,12.5
21058,acetylcarnitine,bmse000142,5,56.5103,12.2
21059,acetylcarnitine,bmse000142,6,42.9071,9.73
21060,acetylcarnitine,bmse000142,7,23.3168,9.11
21061,5_acetylamido_2_chloroaniline,bmse000143,1,139.2064,3.06
21062,5_acetylamido_2_chloroaniline,bmse000143,2,132.3826,12.5
21063,5_acetylamido_2_chloroaniline,bmse000143,3,116.2078,11.5
21064,5_acetylamido_2_chloroaniline,bmse000143,4,112.9825,11.85
21065,5_acetylamido_2_chloroaniline,bmse000143,5,25.522,8.76
21066,uracil,bmse000187,1,170.2202,1.35
21067,uracil,bmse000187,2,146.2032,10.52
21068,uracil,bmse000187,3,103.7407,12.5
21069,cytidine,bmse000190,1,168.8862,2.92
21070,cytidine,bmse000190,2,160.3399,2.39
21071,cytidine,bmse000190,3,144.3268,8.93
21072,cytidine,bmse000190,4,98.9421,9.02
21073,cytidine,bmse000190,5,92.9764,11.59
21074,cytidine,bmse000190,6,86.4726,11.93
21075,cytidine,bmse000190,7,76.6665,12.26
21076,cytidine,bmse000190,8,71.9801,12.5
21077,cytidine,bmse000190,9,63.4255,9.89
21078,propionic_acid,bmse000179,1,187.7472,2.27
21079,propionic_acid,bmse000179,2,33.4143,12.5
21080,propionic_acid,bmse000179,3,12.8911,11.53
21081,cytosine,bmse000180,1,170.1095,1.09
21082,cytosine,bmse000180,2,145.8461,10.28
21083,cytosine,bmse000180,3,97.8181,12.5
21084,3_hydroxybutyrate,bmse000161,1,183.1934,2.18
21085,3_hydroxybutyrate,bmse000161,2,68.3994,9.53
21086,3_hydroxybutyrate,bmse000161,3,49.2195,12.5
21087,3_hydroxybutyrate,bmse000161,4,24.4317,11.28
21088,sarcosine,bmse000160,1,174.1787,1.69
21089,sarcosine,bmse000160,2,53.5151,12.5
21090,sarcosine,bmse000160,3,35.3495,10.56
21091,beta_alanine,bmse000159,1,181.1398,1.61
21092,beta_alanine,bmse000159,2,39.2339,9.51
21093,beta_alanine,bmse000159,3,36.2855,12.5
21094,uridine,bmse000158,1,169.0394,2.54
21095,uridine,bmse000158,2,154.4569,2.08
21096,uridine,bmse000158,3,144.529,8.58
21097,uridine,bmse000158,4,104.9743,9.81
21098,uridine,bmse000158,5,92.0363,11.1
21099,uridine,bmse000158,6,86.9005,11.88
21100,uridine,bmse000158,7,76.3651,11.81
21101,uridine,bmse000158,8,72.0985,12.5
21102,uridine,bmse000158,9,63.4211,9.74
21103,N_acetyl_L_alanine,bmse000157,1,183.142,2.18
21104,N_acetyl_L_alanine,bmse000157,2,176.0277,2.41
21105,N_acetyl_L_alanine,bmse000157,3,53.6895,12.5
21106,N_acetyl_L_alanine,bmse000157,4,24.5618,8.98
21107,N_acetyl_L_alanine,bmse000157,5,20.0042,11.11
21108,trimethyl_phosphonoacetate,bmse000156,1,56.6257,8.02
21109,trimethyl_phosphonoacetate,bmse000156,2,56.5607,8.02
21110,trimethyl_phosphonoacetate,bmse000156,3,55.9903,12.5
21111,creatinine,bmse000155,1,191.713,2.26
21112,creatinine,bmse000155,2,59.1239,12.5
21113,creatinine,bmse000155,3,58.8527,2.53
21114,creatinine,bmse000155,4,58.6295,1.96
21115,creatinine,bmse000155,5,32.9001,9.73
21116,4_2_aminoethyl_morpholine,bmse000154,1,68.8872,12.21
21117,4_2_aminoethyl_morpholine,bmse000154,2,56.9694,6.45
21118,4_2_aminoethyl_morpholine,bmse000154,3,55.1945,12.5
21119,4_2_aminoethyl_morpholine,bmse000154,4,38.3707,5.31
21120,L_methionine_methylsulfonium_iodide,bmse000153,1,176.1278,2.46
21121,L_methionine_methylsulfonium_iodide,bmse000153,2,55.6328,12.37
21122,L_methionine_methylsulfonium_iodide,bmse000153,3,42.2714,10.53
21123,L_methionine_methylsulfonium_iodide,bmse000153,4,28.1127,10.06
21124,L_methionine_methylsulfonium_iodide,bmse000153,5,27.4753,11.87
21125,L_methionine_methylsulfonium_iodide,bmse000153,6,27.4428,12.5
21126,trigonelline,bmse000152,1,170.5429,1.63
21127,trigonelline,bmse000152,2,148.7294,3.53
21128,trigonelline,bmse000152,3,148.5432,3.12
21129,trigonelline,bmse000152,4,147.4509,9.81
21130,trigonelline,bmse000152,5,139.591,3.58
21131,trigonelline,bmse000152,6,130.3808,12.5
21132,trigonelline,bmse000152,7,50.9868,3.8
21133,L_kynurenine,bmse000172,1,202.7838,4.18
21134,L_kynurenine,bmse000172,2,176.9655,3.82
21135,L_kynurenine,bmse000172,3,153.0281,3.8
21136,L_kynurenine,bmse000172,4,138.3201,10.63
21137,L_kynurenine,bmse000172,5,134.0077,10.47
21138,L_kynurenine,bmse000172,6,120.7487,12.5
21139,L_kynurenine,bmse000172,7,120.1347,3.19
21140,L_kynurenine,bmse000172,8,119.5469,11.71
21141,L_kynurenine,bmse000172,9,53.4373,9.6
21142,L_kynurenine,bmse000172,10,53.3893,1.75
21143,L_kynurenine,bmse000172,11,41.6724,9.4
21144,4_hydroxyphenethyl_alcohol,bmse000173,1,156.5231,1.3
21145,4_hydroxyphenethyl_alcohol,bmse000173,2,133.6531,2.03
21146,4_hydroxyphenethyl_alcohol,bmse000173,3,133.0108,12.05
21147,4_hydroxyphenethyl_alcohol,bmse000173,4,118.0973,12.5
21148,4_hydroxyphenethyl_alcohol,bmse000173,5,65.4628,5.4
21149,4_hydroxyphenethyl_alcohol,bmse000173,6,39.6054,5.27
21150,L_glutathione_oxidized,bmse000170,1,179.0431,5.08
21151,L_glutathione_oxidized,bmse000170,2,177.7295,7.27
21152,L_glutathione_oxidized,bmse000170,3,176.8436,5.71
21153,L_glutathione_oxidized,bmse000170,4,174.576,7.14
21154,L_glutathione_oxidized,bmse000170,5,56.7983,12.5
21155,L_glutathione_oxidized,bmse000170,6,55.2962,6.93
21156,L_glutathione_oxidized,bmse000170,7,46.1769,10
21157,L_glutathione_oxidized,bmse000170,8,41.3939,5.3
21158,L_glutathione_oxidized,bmse000170,9,34.0976,8.71
21159,L_glutathione_oxidized,bmse000170,10,28.9834,9.22
21160,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,1,137.9087,2.24
21161,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,2,137.8673,2.37
21162,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,3,131.376,12.5
21163,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,4,131.3613,12.49
21164,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,5,130.699,5.71
21165,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,6,130.6797,5.71
21166,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,7,130.3647,10.88
21167,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,8,130.3201,11.19
21168,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,9,58.3213,5.52
21169,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,10,57.0571,5.41
21170,2_amino_5_ethyl_1_3_4_thiadiazole,bmse000176,1,168.4472,1.23
21171,2_amino_5_ethyl_1_3_4_thiadiazole,bmse000176,2,25.8692,12.5
21172,2_amino_5_ethyl_1_3_4_thiadiazole,bmse000176,3,15.8228,11.49
21173,indole_3_acetic_acid,bmse000177,1,184.4014,2.14
21174,indole_3_acetic_acid,bmse000177,2,138.8639,1.78
21175,indole_3_acetic_acid,bmse000177,3,129.8341,1.84
21176,indole_3_acetic_acid,bmse000177,4,126.7302,9.37
21177,indole_3_acetic_acid,bmse000177,5,124.4124,12.5
21178,indole_3_acetic_acid,bmse000177,6,121.7961,11.6
21179,indole_3_acetic_acid,bmse000177,7,121.3961,11.96
21180,indole_3_acetic_acid,bmse000177,8,114.4077,11.75
21181,indole_3_acetic_acid,bmse000177,9,113.0393,2.26
21182,indole_3_acetic_acid,bmse000177,10,36.6627,11.8
21183,5_acetylamino_2_nitrobenzoic_acid,bmse000174,1,177.1121,2.86
21184,5_acetylamino_2_nitrobenzoic_acid,bmse000174,2,175.8429,2.97
21185,5_acetylamino_2_nitrobenzoic_acid,bmse000174,3,146.1205,4.91
21186,5_acetylamino_2_nitrobenzoic_acid,bmse000174,4,142.1751,2.25
21187,5_acetylamino_2_nitrobenzoic_acid,bmse000174,5,140.3992,5.19
21188,5_acetylamino_2_nitrobenzoic_acid,bmse000174,6,135.1671,1.17
21189,5_acetylamino_2_nitrobenzoic_acid,bmse000174,7,128.5755,12.5
21190,5_acetylamino_2_nitrobenzoic_acid,bmse000174,8,122.2003,7.85
21191,5_acetylamino_2_nitrobenzoic_acid,bmse000174,9,120.5307,8.5
21192,5_acetylamino_2_nitrobenzoic_acid,bmse000174,10,26.0734,7.9
21193,inosine_5_monophosphate,bmse000175,1,161.425,3.75
21194,inosine_5_monophosphate,bmse000175,2,151.4802,4.81
21195,inosine_5_monophosphate,bmse000175,3,149.0993,9.26
21196,inosine_5_monophosphate,bmse000175,4,142.6513,8.28
21197,inosine_5_monophosphate,bmse000175,5,126.224,3.55
21198,inosine_5_monophosphate,bmse000175,6,90.0513,11.57
21199,inosine_5_monophosphate,bmse000175,7,87.5897,6.17
21200,inosine_5_monophosphate,bmse000175,8,87.5029,6.25
21201,inosine_5_monophosphate,bmse000175,9,77.4723,12.43
21202,inosine_5_monophosphate,bmse000175,10,73.3415,12.5
21203,inosine_5_monophosphate,bmse000175,11,66.1817,4.69
21204,inosine_5_monophosphate,bmse000175,12,66.1371,4.9
21205,acetylcholine,bmse000168,1,175.9351,1.7
21206,acetylcholine,bmse000168,2,67.2352,3.17
21207,acetylcholine,bmse000168,3,67.2022,3.69
21208,acetylcholine,bmse000168,4,67.1693,3.21
21209,acetylcholine,bmse000168,5,61.0489,9.91
21210,acetylcholine,bmse000168,6,56.5037,10.75
21211,acetylcholine,bmse000168,7,56.4653,12.5
21212,acetylcholine,bmse000168,8,56.4269,11.09
21213,acetylcholine,bmse000168,9,22.907,5.01
21214,L_selenomethionine,bmse000169,1,177.0007,2.6
21215,L_selenomethionine,bmse000169,2,57.4374,11.47
21216,L_selenomethionine,bmse000169,3,33.6291,11.68
21217,L_selenomethionine,bmse000169,4,21.9577,12.5
21218,L_selenomethionine,bmse000169,5,5.9908,6.84
21219,L_carnitine,bmse000211,1,180.7932,2.55
21220,L_carnitine,bmse000211,2,72.8484,3.55
21221,L_carnitine,bmse000211,3,72.8194,4.35
21222,L_carnitine,bmse000211,4,72.7905,3.77
21223,L_carnitine,bmse000211,5,66.787,9.83
21224,L_carnitine,bmse000211,6,56.8352,10.16
21225,L_carnitine,bmse000211,7,56.7971,12.5
21226,L_carnitine,bmse000211,8,56.7587,10.72
21227,L_carnitine,bmse000211,9,45.6836,6.68
21228,2_deoxyguanosine_5_triphosphate,bmse000210,1,161.5994,4.1
21229,2_deoxyguanosine_5_triphosphate,bmse000210,2,156.5483,6.62
21230,2_deoxyguanosine_5_triphosphate,bmse000210,3,153.9201,3.76
21231,2_deoxyguanosine_5_triphosphate,bmse000210,4,140.177,4.97
21232,2_deoxyguanosine_5_triphosphate,bmse000210,5,118.7094,3.56
21233,2_deoxyguanosine_5_triphosphate,bmse000210,6,88.3356,4.95
21234,2_deoxyguanosine_5_triphosphate,bmse000210,7,88.2497,5.03
21235,2_deoxyguanosine_5_triphosphate,bmse000210,8,86.1217,10.42
21236,2_deoxyguanosine_5_triphosphate,bmse000210,9,85.9663,1.24
21237,2_deoxyguanosine_5_triphosphate,bmse000210,10,73.5912,12.5
21238,2_deoxyguanosine_5_triphosphate,bmse000210,11,73.4257,1.36
21239,2_deoxyguanosine_5_triphosphate,bmse000210,12,68.0836,4.3
21240,2_deoxyguanosine_5_triphosphate,bmse000210,13,68.0298,4.01
21241,2_deoxyguanosine_5_triphosphate,bmse000210,14,60.1564,2.92
21242,2_deoxyguanosine_5_triphosphate,bmse000210,15,41.4696,9.7
21243,2_deoxyguanosine_5_triphosphate,bmse000210,16,19.5226,3.19
21244,L_glutathione_reduced,bmse000185,1,179.0844,3.34
21245,L_glutathione_reduced,bmse000185,2,177.7381,6.24
21246,L_glutathione_reduced,bmse000185,3,176.8762,4.09
21247,L_glutathione_reduced,bmse000185,4,174.517,4.49
21248,L_glutathione_reduced,bmse000185,5,58.485,9.28
21249,L_glutathione_reduced,bmse000185,6,56.8252,12.5
21250,L_glutathione_reduced,bmse000185,7,46.0594,11.98
21251,L_glutathione_reduced,bmse000185,8,34.0617,10.25
21252,L_glutathione_reduced,bmse000185,9,28.9279,10.05
21253,L_glutathione_reduced,bmse000185,10,28.2991,8.79
21254,L-ascorbate,bmse000182,1,180.3168,1.43
21255,L-ascorbate,bmse000182,2,178.4832,2.74
21256,L-ascorbate,bmse000182,3,115.802,1.21
21257,L-ascorbate,bmse000182,4,81.1004,12.5
21258,L-ascorbate,bmse000182,5,72.2534,11.82
21259,L-ascorbate,bmse000182,6,65.2522,10.99
21260,glycerol,bmse000184,1,74.7687,5.34
21261,glycerol,bmse000184,2,65.1855,12.5
21262,succinic_acid,bmse000183,1,185.1723,12.5
21263,diethyl_oxalacetate,bmse000148,1,175.4103,2.81
21264,diethyl_oxalacetate,bmse000148,2,174.3091,2.64
21265,diethyl_oxalacetate,bmse000148,3,173.4326,3.11
21266,diethyl_oxalacetate,bmse000148,4,168.1048,3.57
21267,diethyl_oxalacetate,bmse000148,5,163.0751,2.84
21268,diethyl_oxalacetate,bmse000148,6,107.9727,2.93
21269,diethyl_oxalacetate,bmse000148,7,66.4032,12.5
21270,diethyl_oxalacetate,bmse000148,8,64.8073,11.65
21271,diethyl_oxalacetate,bmse000148,9,63.2252,12.35
21272,diethyl_oxalacetate,bmse000148,10,60.1425,6.53
21273,diethyl_oxalacetate,bmse000148,11,19.5054,7.69
21274,diethyl_oxalacetate,bmse000148,12,16.4349,10.31
21275,diethyl_oxalacetate,bmse000148,13,16.0264,10.85
21276,diethyl_oxalacetate,bmse000148,14,15.8307,11.05
21277,diethyl_oxalacetate,bmse000148,15,8.3719,1.46
21278,methyl_4_aminobutyrate,bmse000249,1,178.332,2.3
21279,methyl_4_aminobutyrate,bmse000249,2,55.0318,9.91
21280,methyl_4_aminobutyrate,bmse000249,3,41.3931,9.31
21281,methyl_4_aminobutyrate,bmse000249,4,33.2371,12.5
21282,methyl_4_aminobutyrate,bmse000249,5,24.7364,10.01
21283,acetic_acid,bmse000191,1,25.9921,12.5
21284,DL_alpha_glycerol_phosphate,bmse000193,1,74.017,6.6
21285,DL_alpha_glycerol_phosphate,bmse000193,2,73.9509,6.61
21286,DL_alpha_glycerol_phosphate,bmse000193,3,67.5764,6.42
21287,DL_alpha_glycerol_phosphate,bmse000193,4,67.5279,6.33
21288,DL_alpha_glycerol_phosphate,bmse000193,5,64.9909,12.5
21289,L_arginine_L_glutamate,bmse000194,1,184.0271,2.62
21290,L_arginine_L_glutamate,bmse000194,2,177.3004,2.69
21291,L_arginine_L_glutamate,bmse000194,3,177.2486,3.51
21292,L_arginine_L_glutamate,bmse000194,4,159.5217,1.58
21293,L_arginine_L_glutamate,bmse000194,5,57.3276,11.34
21294,L_arginine_L_glutamate,bmse000194,6,56.9877,12.33
21295,L_arginine_L_glutamate,bmse000194,7,43.187,10.69
21296,L_arginine_L_glutamate,bmse000194,8,36.1773,12.5
21297,L_arginine_L_glutamate,bmse000194,9,30.2821,11.31
21298,L_arginine_L_glutamate,bmse000194,10,29.6813,11.66
21299,L_arginine_L_glutamate,bmse000194,11,26.565,9.36
21300,N_alpha_acetyl_DL_ornithine,bmse000195,1,181.278,2.84
21301,N_alpha_acetyl_DL_ornithine,bmse000195,2,176.3942,3.3
21302,N_alpha_acetyl_DL_ornithine,bmse000195,3,57.2647,12.5
21303,N_alpha_acetyl_DL_ornithine,bmse000195,4,41.7026,11.36
21304,N_alpha_acetyl_DL_ornithine,bmse000195,5,31.2562,11.58
21305,N_alpha_acetyl_DL_ornithine,bmse000195,6,26.1175,10.85
21306,N_alpha_acetyl_DL_ornithine,bmse000195,7,24.6039,9.43
21307,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,1,177.1802,4.22
21308,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,2,100.7816,12.14
21309,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,3,74.3693,12.5
21310,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,4,73.8173,11.87
21311,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,5,72.6604,11.86
21312,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,6,63.2442,9.78
21313,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,7,57.84,10.7
21314,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,8,56.3295,11.36
21315,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,9,24.5939,9.03
21316,N_acetyl_D_glucosamine_1_phosphate,bmse000197,1,177.4262,6.89
21317,N_acetyl_D_glucosamine_1_phosphate,bmse000197,2,95.5064,6.59
21318,N_acetyl_D_glucosamine_1_phosphate,bmse000197,3,95.4519,6.61
21319,N_acetyl_D_glucosamine_1_phosphate,bmse000197,4,74.8112,12.48
21320,N_acetyl_D_glucosamine_1_phosphate,bmse000197,5,74.1248,11.53
21321,N_acetyl_D_glucosamine_1_phosphate,bmse000197,6,72.717,12.5
21322,N_acetyl_D_glucosamine_1_phosphate,bmse000197,7,63.3991,10.48
21323,N_acetyl_D_glucosamine_1_phosphate,bmse000197,8,60.1385,1.19
21324,N_acetyl_D_glucosamine_1_phosphate,bmse000197,9,56.8941,6.31
21325,N_acetyl_D_glucosamine_1_phosphate,bmse000197,10,56.82,5.92
21326,N_acetyl_D_glucosamine_1_phosphate,bmse000197,11,24.8547,11.82
21327,N_acetyl_D_glucosamine_1_phosphate,bmse000197,12,19.5064,1.35
21328,6_phosphogluconic_acid,bmse000198,1,181.6058,3.57
21523,FAD,bmse000226,4,155.0401,6.79
21329,6_phosphogluconic_acid,bmse000198,2,76.871,10.24
21330,6_phosphogluconic_acid,bmse000198,3,74.5728,12.34
21331,6_phosphogluconic_acid,bmse000198,4,73.5923,12.5
21332,6_phosphogluconic_acid,bmse000198,5,73.3427,6.13
21333,6_phosphogluconic_acid,bmse000198,6,73.2817,6
21334,6_phosphogluconic_acid,bmse000198,7,67.8378,5.3
21335,6_phosphogluconic_acid,bmse000198,8,67.7897,5.02
21336,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,1,177.4856,7.09
21337,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,2,169.018,6.26
21338,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,3,154.5678,4.71
21339,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,4,144.3458,8.41
21340,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,5,105.3664,9.76
21341,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,6,97.2217,5.52
21342,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,7,97.1586,5.3
21343,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,8,91.2324,10.4
21344,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,9,85.9265,5.45
21345,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,10,85.8356,5.37
21346,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,11,76.5038,12.5
21347,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,12,75.7265,10.47
21348,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,13,73.618,9.4
21349,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,14,72.3363,12.03
21350,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,15,72.1894,10.68
21351,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,16,67.7104,4.06
21352,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,17,67.6547,4.21
21353,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,18,63.011,8.29
21354,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,19,56.4123,4.85
21355,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,20,56.3279,4.86
21356,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,21,24.8017,11.06
21357,D_glucosamine_6_phosphate,bmse000189,1,96.7641,3.96
21358,D_glucosamine_6_phosphate,bmse000189,2,92.5468,9.11
21359,D_glucosamine_6_phosphate,bmse000189,3,78.573,7.72
21360,D_glucosamine_6_phosphate,bmse000189,4,78.5029,8.09
21361,D_glucosamine_6_phosphate,bmse000189,5,75.3,3.82
21362,D_glucosamine_6_phosphate,bmse000189,6,74.241,8.9
21363,D_glucosamine_6_phosphate,bmse000189,7,74.1735,8.79
21364,D_glucosamine_6_phosphate,bmse000189,8,72.61,7.6
21365,D_glucosamine_6_phosphate,bmse000189,9,72.216,8.01
21366,D_glucosamine_6_phosphate,bmse000189,10,72.0861,11.81
21367,D_glucosamine_6_phosphate,bmse000189,11,65.6945,5.67
21368,D_glucosamine_6_phosphate,bmse000189,12,65.5318,8.2
21369,D_glucosamine_6_phosphate,bmse000189,13,59.9922,8.37
21370,D_glucosamine_6_phosphate,bmse000189,14,57.442,12.5
21371,N_acetyl_D_glucosamine_6_phosphate,bmse000205,1,177.6459,3.99
21372,N_acetyl_D_glucosamine_6_phosphate,bmse000205,2,177.3558,6.21
21373,N_acetyl_D_glucosamine_6_phosphate,bmse000205,3,97.9785,9.64
21374,N_acetyl_D_glucosamine_6_phosphate,bmse000205,4,93.8355,12.5
21375,N_acetyl_D_glucosamine_6_phosphate,bmse000205,5,78.3788,4.55
21376,N_acetyl_D_glucosamine_6_phosphate,bmse000205,6,78.3082,5
21377,N_acetyl_D_glucosamine_6_phosphate,bmse000205,7,76.3335,8.77
21378,N_acetyl_D_glucosamine_6_phosphate,bmse000205,8,74.1312,5.77
21379,N_acetyl_D_glucosamine_6_phosphate,bmse000205,9,74.0636,5.71
21380,N_acetyl_D_glucosamine_6_phosphate,bmse000205,10,73.273,9.62
21381,N_acetyl_D_glucosamine_6_phosphate,bmse000205,11,72.5985,6.43
21382,N_acetyl_D_glucosamine_6_phosphate,bmse000205,12,72.4066,4.3
21383,N_acetyl_D_glucosamine_6_phosphate,bmse000205,13,65.8183,6.34
21384,N_acetyl_D_glucosamine_6_phosphate,bmse000205,14,59.7314,6.92
21385,N_acetyl_D_glucosamine_6_phosphate,bmse000205,15,57.09,11.32
21386,N_acetyl_D_glucosamine_6_phosphate,bmse000205,16,25.09,7.17
21387,N_acetyl_D_glucosamine_6_phosphate,bmse000205,17,24.8284,8.82
21388,N_acetyl_D_glucosamine_6_phosphate,bmse000205,18,24.6366,2.13
21389,N_acetyl_D_glucosamine_6_phosphate,bmse000205,19,8.3826,2.3
21390,formate,bmse000203,1,173.8915,12.5
21391,HEPES,bmse000202,1,60.8048,5.44
21392,HEPES,bmse000202,2,58.5772,7.51
21393,HEPES,bmse000202,3,54.5149,8.11
21394,HEPES,bmse000202,4,54.0844,12.5
21395,HEPES,bmse000202,5,52.383,11.07
21396,HEPES,bmse000202,6,50.0053,7.83
21397,D_citrulline,bmse000209,1,177.3935,5.6
21398,D_citrulline,bmse000209,2,164.2858,1.35
21399,D_citrulline,bmse000209,3,57.1942,10.87
21400,D_citrulline,bmse000209,4,41.9172,1.9
21401,D_citrulline,bmse000209,5,30.442,12.5
21402,D_citrulline,bmse000209,6,27.6603,6.22
21403,tryptamine,bmse000207,1,139.1467,1.96
21404,tryptamine,bmse000207,2,129.1548,2.05
21405,tryptamine,bmse000207,3,127.0515,9.42
21406,tryptamine,bmse000207,4,124.8771,12.23
21407,tryptamine,bmse000207,5,122.1292,11.7
21408,tryptamine,bmse000207,6,121.0332,11.62
21409,tryptamine,bmse000207,7,114.7782,11.66
21410,tryptamine,bmse000207,8,111.7871,2.5
21411,tryptamine,bmse000207,9,42.4461,10.28
21412,tryptamine,bmse000207,10,25.3872,12.5
21413,caffeine,bmse000206,1,158.3677,2.3
21414,caffeine,bmse000206,2,154.8444,2.1
21415,caffeine,bmse000206,3,150.6943,2.53
21416,caffeine,bmse000206,4,146.1726,12.5
21417,caffeine,bmse000206,5,109.992,1.93
21418,caffeine,bmse000206,6,36.1671,12
21419,caffeine,bmse000206,7,32.5176,11.72
21420,caffeine,bmse000206,8,30.6092,12.15
21421,DL_serine,bmse000222,1,175.1858,1.49
21422,DL_serine,bmse000222,2,62.8818,12.5
21423,DL_serine,bmse000222,3,59.0696,9.18
21424,kanamycin,bmse000201,1,103.0882,11.25
21425,kanamycin,bmse000201,2,99.3708,11.19
21426,kanamycin,bmse000201,3,87.4547,11.03
21427,kanamycin,bmse000201,4,82.3518,10.12
21428,kanamycin,bmse000201,5,76.1335,11.05
21429,kanamycin,bmse000201,6,75.2746,11.27
21430,kanamycin,bmse000201,7,74.8051,11.96
21431,kanamycin,bmse000201,8,73.8216,11.92
21432,kanamycin,bmse000201,9,73.7132,12.5
21433,kanamycin,bmse000201,10,71.3274,11.8
21434,kanamycin,bmse000201,11,71.2135,10.89
21435,kanamycin,bmse000201,12,68.4669,11.25
21436,kanamycin,bmse000201,13,62.5738,8.79
21437,kanamycin,bmse000201,14,57.6876,10.31
21438,kanamycin,bmse000201,15,52.8142,10.87
21439,kanamycin,bmse000201,16,50.8624,10.67
21440,kanamycin,bmse000201,17,43.1772,9.79
21441,kanamycin,bmse000201,18,32.4006,6.43
21442,D_galacturonic_acid,bmse000216,1,178.7328,1.92
21443,D_galacturonic_acid,bmse000216,2,177.8683,2.95
21444,D_galacturonic_acid,bmse000216,3,103.6266,1.14
21445,D_galacturonic_acid,bmse000216,4,98.6973,11.64
21446,D_galacturonic_acid,bmse000216,5,94.8821,8.1
21447,D_galacturonic_acid,bmse000216,6,86.1096,1.16
21448,D_galacturonic_acid,bmse000216,7,83.8927,1.25
21449,D_galacturonic_acid,bmse000216,8,78.2191,12.5
21450,D_galacturonic_acid,bmse000216,9,75.5921,12.15
21451,D_galacturonic_acid,bmse000216,10,74.2733,11.54
21452,D_galacturonic_acid,bmse000216,11,74.0687,8.3
21453,D_galacturonic_acid,bmse000216,12,73.5175,7.92
21454,D_galacturonic_acid,bmse000216,13,73.4128,1.2
21455,D_galacturonic_acid,bmse000216,14,73.0403,11.9
21456,D_galacturonic_acid,bmse000216,15,72.0425,8.11
21457,D_galacturonic_acid,bmse000216,16,70.7295,8.19
21458,melibiose,bmse000215,1,100.9074,4.94
21459,melibiose,bmse000215,2,100.8624,8.18
21460,melibiose,bmse000215,3,98.7735,7.77
21461,melibiose,bmse000215,4,94.8936,4.8
21462,melibiose,bmse000215,5,78.5818,7.92
21463,melibiose,bmse000215,6,77.0481,7.86
21464,melibiose,bmse000215,7,76.7432,7.91
21465,melibiose,bmse000215,8,75.641,4.51
21466,melibiose,bmse000215,9,74.115,4.66
21467,melibiose,bmse000215,10,73.6521,8.63
21468,melibiose,bmse000215,11,72.7897,4.38
21469,melibiose,bmse000215,12,72.2675,4.58
21470,melibiose,bmse000215,13,72.1681,11.13
21471,melibiose,bmse000215,14,72.1168,8.41
21472,melibiose,bmse000215,15,71.8969,12.5
21473,melibiose,bmse000215,16,71.1809,5.01
21474,melibiose,bmse000215,17,71.1499,8
21475,melibiose,bmse000215,18,68.5997,3.4
21476,melibiose,bmse000215,19,68.5048,5.74
21477,melibiose,bmse000215,20,63.7993,7.48
21478,raffinose,bmse000221,1,106.4984,12
21479,raffinose,bmse000221,2,101.1619,11.75
21480,raffinose,bmse000221,3,94.8107,10.5
21481,raffinose,bmse000221,4,84.0386,10.37
21482,raffinose,bmse000221,5,78.9908,10.66
21483,raffinose,bmse000221,6,76.6708,10.74
21484,raffinose,bmse000221,7,75.3481,10.62
21485,raffinose,bmse000221,8,74.0893,10.03
21486,raffinose,bmse000221,9,73.7298,10.76
21487,raffinose,bmse000221,10,73.6491,10.76
21488,raffinose,bmse000221,11,72.1375,11.45
21489,raffinose,bmse000221,12,72.0811,10.61
21490,raffinose,bmse000221,13,71.8977,12.5
21491,raffinose,bmse000221,14,71.1782,10.63
21492,raffinose,bmse000221,15,68.5609,7.4
21493,raffinose,bmse000221,16,65.174,9.27
21494,raffinose,bmse000221,17,64.0591,8.59
21495,raffinose,bmse000221,18,63.8064,10.78
21496,phenylacetic_acid,bmse000220,1,140.0132,1.48
21497,phenylacetic_acid,bmse000220,2,131.8678,12.4
21498,phenylacetic_acid,bmse000220,3,131.3739,12.5
21499,phenylacetic_acid,bmse000220,4,129.1624,7.27
21500,phenylacetic_acid,bmse000220,5,47.1763,7.68
21501,quinolinic_acid,bmse000219,1,151.0633,4.64
21502,quinolinic_acid,bmse000219,2,139.9295,12.5
21503,quinolinic_acid,bmse000219,3,134.2225,1.66
21504,quinolinic_acid,bmse000219,4,126.3609,1.43
21505,L_arabinose,bmse000213,1,99.4707,11.84
21506,L_arabinose,bmse000213,2,95.2773,6.36
21507,L_arabinose,bmse000213,3,85.6557,1.01
21508,L_arabinose,bmse000213,4,75.1558,12.46
21509,L_arabinose,bmse000213,5,74.5445,11.65
21510,L_arabinose,bmse000213,6,71.3975,5.23
21511,L_arabinose,bmse000213,7,71.291,6.33
21512,L_arabinose,bmse000213,8,71.19,12.5
21513,L_arabinose,bmse000213,9,71.1316,6.46
21514,L_arabinose,bmse000213,10,69.092,10.76
21515,L_arabinose,bmse000213,11,65.1629,5.63
21516,L_arabinose,bmse000213,12,63.7809,1.01
21517,maleic_acid,bmse000212,1,178.0156,12.5
21518,maleic_acid,bmse000212,2,138.0455,2.52
21519,trimethylamine,bmse000224,1,47.3627,12.5
21520,FAD,bmse000226,1,164.0687,6.03
21524,FAD,bmse000226,5,153.2024,6.31
21525,FAD,bmse000226,6,152.7018,4.88
21526,FAD,bmse000226,7,150.7506,8.42
21527,FAD,bmse000226,8,141.8033,9.25
21528,FAD,bmse000226,9,137.3022,7.38
21529,FAD,bmse000226,10,136.7199,6.9
21530,FAD,bmse000226,11,134.1126,5.24
21531,FAD,bmse000226,12,133.1145,6.31
21532,FAD,bmse000226,13,120.4006,4.97
21533,FAD,bmse000226,14,119.1392,5.98
21534,FAD,bmse000226,15,89.8286,8.42
21535,FAD,bmse000226,16,86.1706,4.9
21536,FAD,bmse000226,17,77.5902,9.53
21537,FAD,bmse000226,18,75.1902,7.63
21538,FAD,bmse000226,19,73.8874,4.74
21539,FAD,bmse000226,20,72.6742,9.77
21540,FAD,bmse000226,21,72.0204,7.14
21541,FAD,bmse000226,22,49.8304,4.6
21542,FAD,bmse000226,23,23.4503,12.23
21543,FAD,bmse000226,24,21.3064,12.5
21544,biotin,bmse000227,1,186.5202,3.08
21545,biotin,bmse000227,2,168.1155,1.31
21546,biotin,bmse000227,3,64.7083,11.47
21547,biotin,bmse000227,4,62.9655,10.94
21548,biotin,bmse000227,5,58.0656,12.5
21549,biotin,bmse000227,6,42.4481,10.02
21550,biotin,bmse000227,7,40.0331,11.31
21551,biotin,bmse000227,8,30.9897,10.73
21552,biotin,bmse000227,9,30.4007,10.87
21553,biotin,bmse000227,10,28.3888,11.03
21554,L_malic_acid,bmse000238,1,183.7653,2.22
21555,L_malic_acid,bmse000238,2,182.5621,2.11
21556,L_malic_acid,bmse000238,3,73.0565,11
21557,L_malic_acid,bmse000238,4,45.325,12.5
21558,DL_pipecolic_acid,bmse000237,1,177.3687,2.02
21559,DL_pipecolic_acid,bmse000237,2,61.7014,10.46
21560,DL_pipecolic_acid,bmse000237,3,46.3684,11.14
21561,DL_pipecolic_acid,bmse000237,4,29.2254,12.03
21562,DL_pipecolic_acid,bmse000237,5,24.5183,12.5
21563,DL_pipecolic_acid,bmse000237,6,24.2597,11.72
21564,alpha_naphthoic_acid,bmse000178,1,180.9525,1.22
21565,alpha_naphthoic_acid,bmse000178,2,140.3164,2.38
21566,alpha_naphthoic_acid,bmse000178,3,136.0023,3.43
21567,alpha_naphthoic_acid,bmse000178,4,131.8378,2.83
21568,alpha_naphthoic_acid,bmse000178,5,131.5775,11.93
21569,alpha_naphthoic_acid,bmse000178,6,130.9661,12.32
21570,alpha_naphthoic_acid,bmse000178,7,129.4469,11.78
21571,alpha_naphthoic_acid,bmse000178,8,128.9278,12.24
21572,alpha_naphthoic_acid,bmse000178,9,128.3008,11.2
21573,alpha_naphthoic_acid,bmse000178,10,128.1263,11.47
21574,alpha_naphthoic_acid,bmse000178,11,126.9179,12.5
21575,L_lactic_acid,bmse000208,1,185.2568,1.47
21576,L_lactic_acid,bmse000208,2,71.1986,10.31
21577,L_lactic_acid,bmse000208,3,22.7605,12.5
21578,thymidine,bmse000244,1,169.2606,1.96
21579,thymidine,bmse000244,2,154.4362,2.17
21580,thymidine,bmse000244,3,140.2111,10.41
21581,thymidine,bmse000244,4,114.1556,4.85
21582,thymidine,bmse000244,5,89.1962,12.5
21583,thymidine,bmse000244,6,87.7135,11.37
21584,thymidine,bmse000244,7,73.1301,12.1
21585,thymidine,bmse000244,8,63.8632,10.49
21586,thymidine,bmse000244,9,41.1957,10.46
21587,thymidine,bmse000244,10,14.2614,10.1
21588,citraconic_acid,bmse000199,1,182.5855,1.19
21589,citraconic_acid,bmse000199,2,177.0006,1.62
21590,citraconic_acid,bmse000199,3,150.7235,3.14
21591,citraconic_acid,bmse000199,4,122.9987,12.5
21592,citraconic_acid,bmse000199,5,23.083,10.26
21593,homogentisic_acid,bmse000200,1,183.4495,2.25
21594,homogentisic_acid,bmse000200,2,151.5798,3.49
21595,homogentisic_acid,bmse000200,3,150.3577,2.71
21596,homogentisic_acid,bmse000200,4,128.3103,4.07
21597,homogentisic_acid,bmse000200,5,120.3611,12.12
21598,homogentisic_acid,bmse000200,6,119.7948,12.5
21599,homogentisic_acid,bmse000200,7,117.1989,12.11
21600,homogentisic_acid,bmse000200,8,42.6626,11.69
21601,isonicotinic_acid,bmse000133,1,152.265,11.27
21602,isonicotinic_acid,bmse000133,2,143.3482,1.49
21603,isonicotinic_acid,bmse000133,3,124.3227,12.5
21604,homovanillic_acid,bmse000132,1,184.0342,2.31
21605,homovanillic_acid,bmse000132,2,149.9125,2.75
21606,homovanillic_acid,bmse000132,3,145.8277,2.64
21607,homovanillic_acid,bmse000132,4,132.7556,4.92
21608,homovanillic_acid,bmse000132,5,124.6363,12.01
21609,homovanillic_acid,bmse000132,6,118.1634,12.5
21610,homovanillic_acid,bmse000132,7,116.1596,11.86
21611,homovanillic_acid,bmse000132,8,58.5972,11.89
21612,homovanillic_acid,bmse000132,9,46.5865,11.75
21613,cyanuric_acid,bmse000135,1,158.7585,12.5
21614,ethacrynic_acid,bmse000134,1,202.3118,4.43
21615,ethacrynic_acid,bmse000134,2,177.9826,5
21616,ethacrynic_acid,bmse000134,3,158.7271,7.04
21617,ethacrynic_acid,bmse000134,4,152.4416,9.11
21618,ethacrynic_acid,bmse000134,5,134.6377,7.45
21619,ethacrynic_acid,bmse000134,6,134.3055,7.14
21620,ethacrynic_acid,bmse000134,7,133.1034,4.2
21621,ethacrynic_acid,bmse000134,8,130.6445,11.98
21622,ethacrynic_acid,bmse000134,9,124.6188,3.16
21623,ethacrynic_acid,bmse000134,10,113.5528,12.1
21624,ethacrynic_acid,bmse000134,11,70.3721,12.5
21625,ethacrynic_acid,bmse000134,12,25.8093,12.14
21626,ethacrynic_acid,bmse000134,13,14.5372,10.57
21627,itaconic_acid,bmse000137,1,183.4319,1.66
21628,itaconic_acid,bmse000137,2,144.4598,3.08
21629,itaconic_acid,bmse000137,3,124.7498,11.94
21630,itaconic_acid,bmse000137,4,44.7199,12.5
21631,amygdalin,bmse000139,1,135.1591,3.04
21632,amygdalin,bmse000139,2,133.2211,4.82
21633,amygdalin,bmse000139,3,132.0805,12.5
21634,amygdalin,bmse000139,4,130.5071,12.26
21635,amygdalin,bmse000139,5,121.2539,2.79
21636,amygdalin,bmse000139,6,105.5549,5
21637,amygdalin,bmse000139,7,104.1485,4.67
21638,amygdalin,bmse000139,8,78.6035,5.33
21639,amygdalin,bmse000139,9,78.2945,5.19
21640,amygdalin,bmse000139,10,78.182,4.9
21641,amygdalin,bmse000139,11,78.0819,4.95
21642,amygdalin,bmse000139,12,75.9,5.09
21643,amygdalin,bmse000139,13,75.4567,4.78
21644,amygdalin,bmse000139,14,72.369,5.36
21645,amygdalin,bmse000139,15,71.8621,4.67
21646,amygdalin,bmse000139,16,71.7644,5.77
21647,amygdalin,bmse000139,17,70.9831,3.34
21648,amygdalin,bmse000139,18,63.4233,3.79
21649,D_cellobiose,bmse000138,1,105.2663,8.21
21650,D_cellobiose,bmse000138,2,105.2381,5.61
21651,D_cellobiose,bmse000138,3,98.4528,7.32
21652,D_cellobiose,bmse000138,4,94.5197,4.61
21653,D_cellobiose,bmse000138,5,81.4215,4.68
21654,D_cellobiose,bmse000138,6,81.2838,7.67
21655,D_cellobiose,bmse000138,7,78.6932,12.12
21656,D_cellobiose,bmse000138,8,78.1874,12.5
21657,D_cellobiose,bmse000138,9,77.5013,7.76
21658,D_cellobiose,bmse000138,10,76.9856,7.78
21659,D_cellobiose,bmse000138,11,76.5907,7.38
21660,D_cellobiose,bmse000138,12,75.8703,9.08
21661,D_cellobiose,bmse000138,13,74.0348,4.8
21662,D_cellobiose,bmse000138,14,73.925,5.13
21663,D_cellobiose,bmse000138,15,72.8163,4.72
21664,D_cellobiose,bmse000138,16,72.1615,6.12
21665,D_cellobiose,bmse000138,17,72.1439,8.59
21666,D_cellobiose,bmse000138,18,63.2643,6.56
21667,D_cellobiose,bmse000138,19,62.74,5.36
21668,D_cellobiose,bmse000138,20,62.606,3.56
21669,gamma_D_galactonolactone,bmse000141,1,178.7234,2.86
21670,gamma_D_galactonolactone,bmse000141,2,82.7298,12.5
21671,gamma_D_galactonolactone,bmse000141,3,76.4007,12.48
21672,gamma_D_galactonolactone,bmse000141,4,75.5187,12.19
21673,gamma_D_galactonolactone,bmse000141,5,74.2346,3.63
21674,gamma_D_galactonolactone,bmse000141,6,74.0161,3.26
21675,gamma_D_galactonolactone,bmse000141,7,72.7812,3.45
21676,gamma_D_galactonolactone,bmse000141,8,72.4324,3.36
21677,gamma_D_galactonolactone,bmse000141,9,71.5773,12.34
21678,gamma_D_galactonolactone,bmse000141,10,66.0277,3.07
21679,gamma_D_galactonolactone,bmse000141,11,64.6899,11.19
21680,D_glucuronate,bmse000140,1,179.6525,1.52
21681,D_glucuronate,bmse000140,2,178.6724,2.78
21682,D_glucuronate,bmse000140,3,98.5755,11.73
21683,D_glucuronate,bmse000140,4,94.8123,7.69
21684,D_glucuronate,bmse000140,5,78.959,12.5
21685,D_glucuronate,bmse000140,6,78.2467,11.99
21686,D_glucuronate,bmse000140,7,76.6906,11.59
21687,D_glucuronate,bmse000140,8,75.2591,7.37
21688,D_glucuronate,bmse000140,9,74.8051,6.93
21689,D_glucuronate,bmse000140,10,74.5748,8
21690,D_glucuronate,bmse000140,11,74.5431,12.46
21691,D_glucuronate,bmse000140,12,73.9985,7.55
21692,L_gulonolactone,bmse000235,1,180.7006,2.42
21693,L_gulonolactone,bmse000235,2,84.0626,11.74
21694,L_gulonolactone,bmse000235,3,76.1965,2.96
21695,L_gulonolactone,bmse000235,4,75.331,3.02
21696,L_gulonolactone,bmse000235,5,74.9955,3.01
21697,L_gulonolactone,bmse000235,6,73.5223,12.5
21698,L_gulonolactone,bmse000235,7,73.1631,3.21
21699,L_gulonolactone,bmse000235,8,72.7983,12.19
21700,L_gulonolactone,bmse000235,9,72.2798,12.42
21701,L_gulonolactone,bmse000235,10,65.2205,2.74
21702,L_gulonolactone,bmse000235,11,64.1843,11.09
21703,glycogen,bmse000232,1,102.5103,8.96
21704,glycogen,bmse000232,2,79.5505,5.53
21705,glycogen,bmse000232,3,75.5834,9.32
21706,glycogen,bmse000232,4,74.2061,12.5
21707,glycogen,bmse000232,5,72.0454,4.53
21708,glycogen,bmse000232,6,63.2055,9.29
21709,melibiose,bmse000233,1,100.9084,5.19
21710,melibiose,bmse000233,2,100.8632,7.98
21711,melibiose,bmse000233,3,98.7735,7.66
21712,melibiose,bmse000233,4,94.8931,4.76
21713,melibiose,bmse000233,5,78.5818,7.97
21714,melibiose,bmse000233,6,77.0484,7.73
21715,melibiose,bmse000233,7,76.7428,7.76
21716,melibiose,bmse000233,8,75.6402,4.58
21717,melibiose,bmse000233,9,74.1149,4.63
21718,melibiose,bmse000233,10,73.6528,8.49
21719,melibiose,bmse000233,11,72.7893,4.29
21720,melibiose,bmse000233,12,72.267,4.52
21721,melibiose,bmse000233,13,72.1674,11.07
21722,melibiose,bmse000233,14,72.1167,8.55
21723,melibiose,bmse000233,15,71.8963,12.5
21724,melibiose,bmse000233,16,71.1803,5.19
21725,melibiose,bmse000233,17,71.1491,7.83
21726,melibiose,bmse000233,18,68.5995,3.44
21727,melibiose,bmse000233,19,68.5046,5.7
21728,melibiose,bmse000233,20,63.7983,7.42
21729,D_glucono_1_5_lactone,bmse000230,1,181.2312,2.98
21730,D_glucono_1_5_lactone,bmse000230,2,76.6877,12.5
21731,D_glucono_1_5_lactone,bmse000230,3,75.204,12.42
21732,D_glucono_1_5_lactone,bmse000230,4,73.8622,12.42
21733,D_glucono_1_5_lactone,bmse000230,5,73.6372,12.42
21734,D_glucono_1_5_lactone,bmse000230,6,65.3046,10.99
21735,N_acetyl_D_glucosamine,bmse000231,1,177.4899,2.8
21736,N_acetyl_D_glucosamine,bmse000231,2,177.2462,4.07
21737,N_acetyl_D_glucosamine,bmse000231,3,97.6343,8.26
21738,N_acetyl_D_glucosamine,bmse000231,4,93.5456,12.5
21739,N_acetyl_D_glucosamine,bmse000231,5,78.6606,9.02
21740,N_acetyl_D_glucosamine,bmse000231,6,76.5921,8.56
21741,N_acetyl_D_glucosamine,bmse000231,7,74.2719,12.4
21742,N_acetyl_D_glucosamine,bmse000231,8,73.3628,12.21
21743,N_acetyl_D_glucosamine,bmse000231,9,72.7507,12.34
21744,N_acetyl_D_glucosamine,bmse000231,10,72.5242,8.84
21745,N_acetyl_D_glucosamine,bmse000231,11,63.4249,7.22
21746,N_acetyl_D_glucosamine,bmse000231,12,63.2564,10.49
21747,N_acetyl_D_glucosamine,bmse000231,13,59.3824,8.25
21748,N_acetyl_D_glucosamine,bmse000231,14,56.8002,11.86
21749,N_acetyl_D_glucosamine,bmse000231,15,24.8865,6.38
21750,N_acetyl_D_glucosamine,bmse000231,16,24.609,9.19
21751,polygalacturonic_acid,bmse000228,1,178.1914,12.5
21752,polygalacturonic_acid,bmse000228,2,101.6522,9.97
21753,polygalacturonic_acid,bmse000228,3,80.5569,9.65
21754,polygalacturonic_acid,bmse000228,4,73.9772,8.45
21755,polygalacturonic_acid,bmse000228,5,71.4996,8.28
21756,polygalacturonic_acid,bmse000228,6,70.7598,8.29
21757,polygalacturonic_acid,bmse000228,7,26.4074,3.65
21758,D_saccharate,bmse000239,1,181.3679,2.13
21759,D_saccharate,bmse000239,2,181.237,1.95
21760,D_saccharate,bmse000239,3,76.4264,11.96
21761,D_saccharate,bmse000239,4,76.4165,12.5
21762,D_saccharate,bmse000239,5,76.2846,9.51
21763,D_saccharate,bmse000239,6,74.3621,9.95
21764,stachyose,bmse000240,1,106.5168,12.21
21765,stachyose,bmse000240,2,101.06,8.92
21766,stachyose,bmse000240,3,100.7169,10.76
21767,stachyose,bmse000240,4,94.8219,8.89
21768,stachyose,bmse000240,5,84.0524,9.16
21769,stachyose,bmse000240,6,78.9976,9.04
21770,stachyose,bmse000240,7,76.6795,9.2
21771,stachyose,bmse000240,8,75.4111,9
21772,stachyose,bmse000240,9,73.9757,8.23
21773,stachyose,bmse000240,10,73.7006,10.47
21774,stachyose,bmse000240,11,73.6476,9.63
21775,stachyose,bmse000240,12,72.1972,12.5
21776,stachyose,bmse000240,13,72.173,10.25
21777,stachyose,bmse000240,14,72.0684,10.06
21778,stachyose,bmse000240,15,72.0362,10.92
21779,stachyose,bmse000240,16,71.9303,12.49
21780,stachyose,bmse000240,17,71.5019,8.73
21781,stachyose,bmse000240,18,71.1393,9.07
21782,stachyose,bmse000240,19,70.9835,10.63
21783,stachyose,bmse000240,20,69.1734,6.48
21784,stachyose,bmse000240,21,68.5201,5.87
21785,stachyose,bmse000240,22,65.1886,8.65
21786,stachyose,bmse000240,23,64.0756,7.23
21787,stachyose,bmse000240,24,63.8499,10.36
21788,L_tartaric_acid,bmse000167,1,181.2992,12.5
21789,D_xylonate_cadmium,bmse000166,1,181.2863,3.14
21790,D_xylonate_cadmium,bmse000166,2,75.334,10.18
21791,D_xylonate_cadmium,bmse000166,3,75.0844,12.5
21792,D_xylonate_cadmium,bmse000166,4,65.059,9.59
21793,N_acetyl_D_glucosamine_1_phosphate,bmse000163,1,177.4252,6.68
21794,N_acetyl_D_glucosamine_1_phosphate,bmse000163,2,95.4941,6.42
21795,N_acetyl_D_glucosamine_1_phosphate,bmse000163,3,95.4396,6.74
21796,N_acetyl_D_glucosamine_1_phosphate,bmse000163,4,74.801,12.35
21797,N_acetyl_D_glucosamine_1_phosphate,bmse000163,5,74.139,11.43
21798,N_acetyl_D_glucosamine_1_phosphate,bmse000163,6,72.7232,12.5
21799,N_acetyl_D_glucosamine_1_phosphate,bmse000163,7,63.4049,10.26
21800,N_acetyl_D_glucosamine_1_phosphate,bmse000163,8,60.1376,1.31
21801,N_acetyl_D_glucosamine_1_phosphate,bmse000163,9,56.8998,5.8
21802,N_acetyl_D_glucosamine_1_phosphate,bmse000163,10,56.8264,6.12
21803,N_acetyl_D_glucosamine_1_phosphate,bmse000163,11,24.8578,11.78
21804,N_acetyl_D_glucosamine_1_phosphate,bmse000163,12,19.5062,1.22
21805,L_ornithine,bmse000162,1,177.052,2.52
21806,L_ornithine,bmse000162,2,56.8032,12.42
21807,L_ornithine,bmse000162,3,41.5581,10.67
21808,L_ornithine,bmse000162,4,30.183,12.5
21809,L_ornithine,bmse000162,5,25.4674,10.78
21810,D_alanine,bmse000236,1,178.5839,1.59
21811,D_alanine,bmse000236,2,53.2011,9.79
21812,D_alanine,bmse000236,3,18.8519,12.5
21813,4_nitrophenol,bmse000223,1,130.0111,12.5
21814,4_nitrophenol,bmse000223,2,129.9947,12.29
21815,4_nitrophenol,bmse000223,3,120.3011,8.51
21816,4_nitrophenol,bmse000223,4,120.2591,10.79
21817,D_L_glyceraldehyde,bmse000225,1,92.4597,11.03
21818,D_L_glyceraldehyde,bmse000225,2,76.7639,11.48
21819,D_L_glyceraldehyde,bmse000225,3,64.6759,12.5
21820,4_hydroxycinnamic_acid,bmse000150,1,178.908,1.38
21821,4_hydroxycinnamic_acid,bmse000150,2,159.818,1.85
21822,4_hydroxycinnamic_acid,bmse000150,3,143.5246,4.55
21823,4_hydroxycinnamic_acid,bmse000150,4,132.2994,11.74
21824,4_hydroxycinnamic_acid,bmse000150,5,130.1932,2.25
21825,4_hydroxycinnamic_acid,bmse000150,6,124.1229,4.91
21826,4_hydroxycinnamic_acid,bmse000150,7,118.5321,12.5
21827,alpha_D_galactose_1_phosphate,bmse000151,1,96.62,5.96
21828,alpha_D_galactose_1_phosphate,bmse000151,2,96.566,5.93
21829,alpha_D_galactose_1_phosphate,bmse000151,3,73.8281,11.4
21830,alpha_D_galactose_1_phosphate,bmse000151,4,72.304,10.42
21831,alpha_D_galactose_1_phosphate,bmse000151,5,72.1558,12.5
21832,alpha_D_galactose_1_phosphate,bmse000151,6,71.7402,5.87
21833,alpha_D_galactose_1_phosphate,bmse000151,7,71.6737,5.84
21834,alpha_D_galactose_1_phosphate,bmse000151,8,64.0705,10.09
21835,dAMP,bmse000250,1,155.0627,3.71
21836,dAMP,bmse000250,2,142.9366,3.42
21837,dAMP,bmse000250,3,90.1821,11.54
21838,dAMP,bmse000250,4,87.3797,7.1
21839,dAMP,bmse000250,5,74.0139,10.26
21840,dAMP,bmse000250,6,64.4148,12.5
21841,dAMP,bmse000250,7,41.7694,7.82
21842,Oxalosuccinate,bmse000251,1,184.1371,2.15
21843,Oxalosuccinate,bmse000251,2,172.7664,1.95
21844,Oxalosuccinate,bmse000251,3,52.8383,1.48
21845,Oxalosuccinate,bmse000251,4,38.5758,5.93
21846,Oxalosuccinate,bmse000251,5,38.454,1.48
21847,Oxalosuccinate,bmse000251,6,38.2644,1.54
21848,Oxalosuccinate,bmse000251,7,38.0683,1.39
21849,Oxalosuccinate,bmse000251,8,36.9355,3.83
21850,Oxalosuccinate,bmse000251,9,35.3007,1.19
21851,Oxalosuccinate,bmse000251,10,34.9692,1.16
21852,Oxalosuccinate,bmse000251,11,33.3147,5.48
21853,Oxalosuccinate,bmse000251,12,33.2611,6.95
21854,Oxalosuccinate,bmse000251,13,33.2048,12.5
21855,Oxalosuccinate,bmse000251,14,25.9719,1.99
21856,Salicylate,bmse000252,1,178.336,1.8
21857,Salicylate,bmse000252,2,162.3095,1.9
21858,Salicylate,bmse000252,3,136.7054,12.5
21859,Salicylate,bmse000252,4,133.2002,11.8
21860,Salicylate,bmse000252,5,122.0978,11.69
21861,Salicylate,bmse000252,6,120.713,2.32
21862,Salicylate,bmse000252,7,119.007,12.31
21863,dADP,bmse000253,1,158.1421,4.9
21864,dADP,bmse000253,2,155.3005,9.18
21865,dADP,bmse000253,3,151.2181,2.23
21866,dADP,bmse000253,4,142.6258,3.6
21867,dADP,bmse000253,5,121.1832,1.88
21868,dADP,bmse000253,6,88.4189,5.03
21869,dADP,bmse000253,7,88.3329,5.02
21870,dADP,bmse000253,8,86.1412,10.03
21871,dADP,bmse000253,9,73.3197,12.5
21872,dADP,bmse000253,10,67.3652,4.1
21873,dADP,bmse000253,11,67.3129,3.98
21874,dADP,bmse000253,12,41.5514,9.81
21875,D_Fructose_1_phosphate,bmse000254,1,100.8301,3.74
21876,D_Fructose_1_phosphate,bmse000254,2,100.7578,3.97
21877,D_Fructose_1_phosphate,bmse000254,3,83.1443,1.21
21878,D_Fructose_1_phosphate,bmse000254,4,78.79,1.8
21879,D_Fructose_1_phosphate,bmse000254,5,76.8304,1.21
21880,D_Fructose_1_phosphate,bmse000254,6,72.0493,12.5
21881,D_Fructose_1_phosphate,bmse000254,7,71.8351,11.69
21882,D_Fructose_1_phosphate,bmse000254,8,70.5098,12.35
21883,D_Fructose_1_phosphate,bmse000254,9,68.9967,5.19
21884,D_Fructose_1_phosphate,bmse000254,10,68.9492,5.25
21885,D_Fructose_1_phosphate,bmse000254,11,66.0887,9.73
21886,D_Fructose_1_phosphate,bmse000254,12,64.969,2.12
21887,D_Fructose_1_phosphate,bmse000254,13,64.1264,1.29
21888,ITP,bmse000255,1,161.4399,4.25
21889,ITP,bmse000255,2,151.5943,2.62
21890,ITP,bmse000255,3,149.0201,9.65
21891,ITP,bmse000255,4,142.5226,5.74
21892,ITP,bmse000255,5,126.3562,2.24
21893,ITP,bmse000255,6,90.276,1.56
21894,ITP,bmse000255,7,89.9312,10.81
21895,ITP,bmse000255,8,86.8306,5.65
21896,ITP,bmse000255,9,86.7415,5.81
21897,ITP,bmse000255,10,77.2254,2.18
21898,ITP,bmse000255,11,77.1273,12.5
21899,ITP,bmse000255,12,72.8596,11.68
21900,ITP,bmse000255,13,72.5243,2.14
21901,ITP,bmse000255,14,67.7479,4.35
21902,ITP,bmse000255,15,67.695,4.23
21903,Formaldehyde,bmse000256,1,84.4358,12.5
21904,FMN,bmse000257,1,163.2526,6.78
21905,FMN,bmse000257,2,160.3175,7.33
21906,FMN,bmse000257,3,153.429,6.6
21907,FMN,bmse000257,4,152.3129,4.11
21908,FMN,bmse000257,5,142.1584,7.18
21909,FMN,bmse000257,6,136.6282,6.86
21910,FMN,bmse000257,7,136.1877,6.82
21911,FMN,bmse000257,8,134.1083,4
21912,FMN,bmse000257,9,132.8224,4.98
21913,FMN,bmse000257,10,119.7064,4.78
21914,FMN,bmse000257,11,75.2209,6.14
21915,FMN,bmse000257,12,74.4868,3.9
21916,FMN,bmse000257,13,74.4237,3.92
21917,FMN,bmse000257,14,72.0087,6.36
21918,FMN,bmse000257,15,67.8012,3.52
21919,FMN,bmse000257,16,50.1474,2.93
21920,FMN,bmse000257,17,23.466,11.62
21921,FMN,bmse000257,18,21.3437,12.5
21922,Glycolaldehyde,bmse000258,1,92.374,9.81
21923,Glycolaldehyde,bmse000258,2,67.1623,12.5
21924,4_Hydroxybenzaldehyde,bmse000259,1,197.0798,3.76
21925,4_Hydroxybenzaldehyde,bmse000259,2,136.1538,9.71
21926,4_Hydroxybenzaldehyde,bmse000259,3,129.545,1.03
21927,4_Hydroxybenzaldehyde,bmse000259,4,119.8609,12.5
21928,Nicotinamide_D_ribonucleotide,bmse000260,1,175.8236,3.35
21929,Nicotinamide_D_ribonucleotide,bmse000260,2,141.0654,10.52
21930,Nicotinamide_D_ribonucleotide,bmse000260,3,127.6138,9.12
21931,Nicotinamide_D_ribonucleotide,bmse000260,4,108.182,10.66
21932,Nicotinamide_D_ribonucleotide,bmse000260,5,103.4044,6.52
21933,Nicotinamide_D_ribonucleotide,bmse000260,6,103.1839,1.61
21934,Nicotinamide_D_ribonucleotide,bmse000260,7,97.6396,11.48
21935,Nicotinamide_D_ribonucleotide,bmse000260,8,85.9422,6.34
21936,Nicotinamide_D_ribonucleotide,bmse000260,9,85.8555,6.04
21937,Nicotinamide_D_ribonucleotide,bmse000260,10,80.4925,1.81
21938,Nicotinamide_D_ribonucleotide,bmse000260,11,74.2063,1.79
21939,Nicotinamide_D_ribonucleotide,bmse000260,12,73.4952,12.5
21940,Nicotinamide_D_ribonucleotide,bmse000260,13,73.3372,12.21
21941,Nicotinamide_D_ribonucleotide,bmse000260,14,66.7617,5.06
21942,Nicotinamide_D_ribonucleotide,bmse000260,15,66.7167,4.78
21943,Nicotinamide_D_ribonucleotide,bmse000260,16,24.6964,9.6
21944,Acetyl_phosphate,bmse000261,1,175.0096,3.44
21945,Acetyl_phosphate,bmse000261,2,25.9801,10.24
21946,Acetyl_phosphate,bmse000261,3,24.7883,12.5
21947,Acetyl_phosphate,bmse000261,4,24.7425,11.1
21948,3_4_Hydroxyphenyl_pyruvate,bmse000262,1,157.3242,1.3
21949,3_4_Hydroxyphenyl_pyruvate,bmse000262,2,133.865,7.91
21950,3_4_Hydroxyphenyl_pyruvate,bmse000262,3,118.3826,12.5
21951,3_4_Hydroxyphenyl_pyruvate,bmse000262,4,117.7478,1.45
21952,NADP,bmse000263,1,167.8496,4.47
21953,NADP,bmse000263,2,158.1147,5.39
21954,NADP,bmse000263,3,155.428,9.01
21955,NADP,bmse000263,4,151.6757,5.76
21956,NADP,bmse000263,5,148.3745,7.75
21957,NADP,bmse000263,6,145.0167,6.29
21958,NADP,bmse000263,7,142.8886,8.29
21959,NADP,bmse000263,8,142.5477,5.92
21960,NADP,bmse000263,9,136.304,8.28
21961,NADP,bmse000263,10,131.3453,8.51
21962,NADP,bmse000263,11,121.1612,3.82
21963,NADP,bmse000263,12,102.729,11.11
21964,NADP,bmse000263,13,89.8221,5.86
21965,NADP,bmse000263,14,89.7336,5.64
21966,NADP,bmse000263,15,89.2538,5.26
21967,NADP,bmse000263,16,89.1719,5.28
21968,NADP,bmse000263,17,85.7472,5.48
21969,NADP,bmse000263,18,85.6577,5.52
21970,NADP,bmse000263,19,80.3221,12.5
21971,NADP,bmse000263,20,78.7636,5.55
21972,NADP,bmse000263,21,78.722,5.71
21973,NADP,bmse000263,22,73.3731,12.23
21974,NADP,bmse000263,23,72.7335,7.06
21975,NADP,bmse000263,24,68.2193,4.11
21976,NADP,bmse000263,25,67.6754,4.43
21977,NADP,bmse000263,26,57.0544,1.98
21978,4_Nitrophenyl_phosphate,bmse000264,1,163.0405,1.08
21979,4_Nitrophenyl_phosphate,bmse000264,2,144.5179,1.04
21980,4_Nitrophenyl_phosphate,bmse000264,3,128.4131,12.5
21981,4_Nitrophenyl_phosphate,bmse000264,4,122.6671,7.06
21982,4_Nitrophenyl_phosphate,bmse000264,5,122.6148,7.04
21983,4_Nitrocatechol,bmse000265,1,164.1278,1.69
21984,4_Nitrocatechol,bmse000265,2,148.5107,2.32
21985,4_Nitrocatechol,bmse000265,3,138.4594,1.3
21986,4_Nitrocatechol,bmse000265,4,122.9045,11.12
21987,4_Nitrocatechol,bmse000265,5,118.6529,12.08
21988,4_Nitrocatechol,bmse000265,6,112.45,12.5
21989,UDP,bmse000266,1,169.0888,5
21990,UDP,bmse000266,2,154.545,3.74
21991,UDP,bmse000266,3,144.5243,8.52
21992,UDP,bmse000266,4,105.234,10.35
21993,UDP,bmse000266,5,91.4445,11.2
21994,UDP,bmse000266,6,85.9024,5.62
21995,UDP,bmse000266,7,85.8136,5.66
21996,UDP,bmse000266,8,76.5959,12.5
21997,UDP,bmse000266,9,71.8259,11.92
21998,UDP,bmse000266,10,66.8315,4.4
21999,UDP,bmse000266,11,66.7792,4.54
22000,Formamide,bmse000267,1,169.4492,12.5
22001,R_Lactate,bmse000269,1,185.265,2.92
22002,R_Lactate,bmse000269,2,71.1978,10.49
22003,R_Lactate,bmse000269,3,22.7641,12.5
22004,GDP,bmse000270,1,161.6068,4.89
22005,GDP,bmse000270,2,156.6326,5.27
22006,GDP,bmse000270,3,154.1538,4.67
22007,GDP,bmse000270,4,140.2801,1.14
22008,GDP,bmse000270,5,140.1096,6.84
22009,GDP,bmse000270,6,118.7579,3.69
22010,GDP,bmse000270,7,89.8065,11.14
22011,GDP,bmse000270,8,86.2198,5.66
22012,GDP,bmse000270,9,86.132,5.77
22013,GDP,bmse000270,10,76.7534,12.5
22014,GDP,bmse000270,11,72.5131,12.28
22015,GDP,bmse000270,12,67.1729,4.45
22016,GDP,bmse000270,13,67.1215,4.26
22017,CoA,bmse000271,1,177.6817,2.7
22018,CoA,bmse000271,2,177.4294,8.2
22019,CoA,bmse000271,3,176.8233,2.08
22020,CoA,bmse000271,4,176.7106,6.6
22021,CoA,bmse000271,5,158.389,5.21
22022,CoA,bmse000271,6,155.6654,8.04
22023,CoA,bmse000271,7,155.5753,5.97
22024,CoA,bmse000271,8,152.1398,5.55
22025,CoA,bmse000271,9,152.0219,2.76
22026,CoA,bmse000271,10,142.9347,4.88
22027,CoA,bmse000271,11,142.6212,6.68
22028,CoA,bmse000271,12,121.3186,3.76
22029,CoA,bmse000271,13,89.3885,6.08
22030,CoA,bmse000271,14,89.1901,9.09
22031,CoA,bmse000271,15,87.3585,1.54
22032,CoA,bmse000271,16,87.3087,1.85
22033,CoA,bmse000271,17,87.2237,1.74
22034,CoA,bmse000271,18,86.8498,2.3
22035,CoA,bmse000271,19,86.7595,2.57
22036,CoA,bmse000271,20,85.3884,1.1
22037,CoA,bmse000271,21,79.6453,1.28
22038,CoA,bmse000271,22,79.1396,1.19
22039,CoA,bmse000271,23,78.2226,1.22
22040,CoA,bmse000271,24,77.5422,4.25
22041,CoA,bmse000271,25,77.2177,3.82
22042,CoA,bmse000271,26,77.1851,3.69
22043,CoA,bmse000271,27,76.9949,5.4
22044,CoA,bmse000271,28,76.9604,4.74
22045,CoA,bmse000271,29,76.7805,9.52
22046,CoA,bmse000271,30,76.4673,4.19
22047,CoA,bmse000271,31,76.4236,8.22
22048,CoA,bmse000271,32,76.3796,5.46
22049,CoA,bmse000271,33,74.5542,4.24
22050,CoA,bmse000271,34,74.4922,3.65
22051,CoA,bmse000271,35,73.328,2.2
22052,CoA,bmse000271,36,73.2765,1.86
22053,CoA,bmse000271,37,68.4744,3.83
22054,CoA,bmse000271,38,68.4222,3.88
22055,CoA,bmse000271,39,66.6691,2.47
22056,CoA,bmse000271,40,66.6238,2.86
22057,CoA,bmse000271,41,45.0428,4.93
22058,CoA,bmse000271,42,44.9976,11.76
22059,CoA,bmse000271,43,44.9048,1.18
22060,CoA,bmse000271,44,41.1259,2.81
22061,CoA,bmse000271,45,41.0359,6.14
22062,CoA,bmse000271,46,40.9558,6.01
22063,CoA,bmse000271,47,40.7593,1.76
22064,CoA,bmse000271,48,39.1263,1.74
22065,CoA,bmse000271,49,38.2973,1.72
22066,CoA,bmse000271,50,38.1621,9.87
22067,CoA,bmse000271,51,38.0817,9.25
22068,CoA,bmse000271,52,25.7997,12.5
22069,CoA,bmse000271,53,24.0869,1.45
22070,CoA,bmse000271,54,23.9984,3.96
22071,CoA,bmse000271,55,23.5128,8.93
22072,CoA,bmse000271,56,22.6789,1.36
22073,CoA,bmse000271,57,20.9419,3.81
22074,CoA,bmse000271,58,20.7819,9.63
22075,CoA,bmse000271,59,20.1012,1.78
22076,CDP,bmse000272,1,168.8761,4.9
22077,CDP,bmse000272,2,160.4002,4.39
22078,CDP,bmse000272,3,144.5698,1.09
22079,CDP,bmse000272,4,144.266,8.55
22080,CDP,bmse000272,5,99.3648,1.46
22081,CDP,bmse000272,6,99.2242,9.38
22082,CDP,bmse000272,7,92.2295,11.24
22083,CDP,bmse000272,8,91.8456,1.72
22084,CDP,bmse000272,9,85.3396,5.74
22085,CDP,bmse000272,10,85.2502,5.69
22086,CDP,bmse000272,11,77.0076,12.5
22087,CDP,bmse000272,12,72.3706,1.47
22088,CDP,bmse000272,13,71.4858,12.07
22089,CDP,bmse000272,14,66.6366,4.51
22090,CDP,bmse000272,15,66.5841,4.41
22091,D_Aspartate,bmse000273,1,180.3052,2.2
22092,D_Aspartate,bmse000273,2,177.0122,1.98
22093,D_Aspartate,bmse000273,3,54.9072,9.91
22094,D_Aspartate,bmse000273,4,39.2644,12.5
22095,Thiamin,bmse000274,1,171.726,5.58
22096,Thiamin,bmse000274,2,164.5163,3.11
22097,Thiamin,bmse000274,3,159.8969,10.99
22098,Thiamin,bmse000274,4,145.552,3.59
22099,Thiamin,bmse000274,5,138.7379,4.97
22100,Thiamin,bmse000274,6,107.1899,6.29
22101,Thiamin,bmse000274,7,63.1255,12.5
22102,Thiamin,bmse000274,8,53.7574,10.69
22103,Thiamin,bmse000274,9,31.9248,12.41
22104,Thiamin,bmse000274,10,26.7632,11.25
22105,Thiamin,bmse000274,11,13.8517,12.02
22106,D_Fructose_2_6_bisphosphate,bmse000275,1,106.8714,4.79
22107,D_Fructose_2_6_bisphosphate,bmse000275,2,106.8017,4.74
22108,D_Fructose_2_6_bisphosphate,bmse000275,3,82.9825,6.41
22109,D_Fructose_2_6_bisphosphate,bmse000275,4,82.912,6.28
22110,D_Fructose_2_6_bisphosphate,bmse000275,5,80.0513,6.58
22111,D_Fructose_2_6_bisphosphate,bmse000275,6,80.0052,6.39
22112,D_Fructose_2_6_bisphosphate,bmse000275,7,78.0543,12.5
22113,D_Fructose_2_6_bisphosphate,bmse000275,8,68.3553,5.53
22114,D_Fructose_2_6_bisphosphate,bmse000275,9,68.3079,5.71
22115,D_Fructose_2_6_bisphosphate,bmse000275,10,65.2002,7.1
22116,D_Fructose_2_6_bisphosphate,bmse000275,11,60.1397,1.11
22117,D_Fructose_2_6_bisphosphate,bmse000275,12,19.51,1.19
22118,Ethanolamine,bmse000276,1,60.3171,12.5
22119,Ethanolamine,bmse000276,2,43.9507,8.05
22120,CTP,bmse000277,1,168.8983,5.15
22121,CTP,bmse000277,2,160.5208,4.42
22122,CTP,bmse000277,3,144.2311,8.6
22123,CTP,bmse000277,4,99.3524,9.52
22124,CTP,bmse000277,5,91.8085,11.04
22125,CTP,bmse000277,6,85.501,5.68
22126,CTP,bmse000277,7,85.4107,5.57
22127,CTP,bmse000277,8,77.0203,1.35
22128,CTP,bmse000277,9,76.8989,12.5
22129,CTP,bmse000277,10,71.7933,11.89
22130,CTP,bmse000277,11,71.4631,1.06
22131,CTP,bmse000277,12,67.272,4.2
22132,CTP,bmse000277,13,67.2177,4.39
22133,D_Ribulose_5_phosphate,bmse000278,1,103.8241,7.82
22134,D_Ribulose_5_phosphate,bmse000278,2,98.9771,2.24
22135,D_Ribulose_5_phosphate,bmse000278,3,85.3023,1.6
22136,D_Ribulose_5_phosphate,bmse000278,4,84.6704,3.81
22137,D_Ribulose_5_phosphate,bmse000278,5,84.5875,4.13
22138,D_Ribulose_5_phosphate,bmse000278,6,78.03,9.99
22139,D_Ribulose_5_phosphate,bmse000278,7,73.4112,12.5
22140,D_Ribulose_5_phosphate,bmse000278,8,72.931,3.83
22141,D_Ribulose_5_phosphate,bmse000278,9,67.3547,5.39
22142,D_Ribulose_5_phosphate,bmse000278,10,67.3093,5.5
22143,D_Ribulose_5_phosphate,bmse000278,11,66.4813,2.3
22144,Urocanate,bmse000279,1,178.6198,2.5
22145,Urocanate,bmse000279,2,140.3626,11.29
22146,Urocanate,bmse000279,3,137.0776,2.14
22147,Urocanate,bmse000279,4,133.668,10.36
22148,Urocanate,bmse000279,5,124.4849,12.5
22149,Urocanate,bmse000279,6,123.9802,8.38
22150,UMP,bmse000280,1,169.0839,4.57
22151,UMP,bmse000280,2,154.6578,3.41
22152,UMP,bmse000280,3,144.8275,8.54
22153,UMP,bmse000280,4,105.3924,10.43
22154,UMP,bmse000280,5,91.006,11.31
22155,UMP,bmse000280,6,86.9204,5.97
22156,UMP,bmse000280,7,86.8326,6.05
22157,UMP,bmse000280,8,76.6643,12.5
22158,UMP,bmse000280,9,72.7729,12.16
22159,UMP,bmse000280,10,65.9126,4.79
22160,UMP,bmse000280,11,65.8681,4.9
22161,Nicotinamide,bmse000281,1,154.5266,12.5
22162,Nicotinamide,bmse000281,2,150.344,11.49
22163,Nicotinamide,bmse000281,3,139.1539,11.48
22164,Nicotinamide,bmse000281,4,131.9398,1.76
22165,Nicotinamide,bmse000281,5,126.9235,10.76
22166,DL_Alanine,bmse000282,1,178.5738,1.77
22167,DL_Alanine,bmse000282,2,53.2017,9.6
22168,DL_Alanine,bmse000282,3,18.85,12.5
22169,Orotate,bmse000283,1,104.064,12.5
22170,Benzonitrile,bmse000284,1,136.2019,8.6
22171,Benzonitrile,bmse000284,2,135.1116,12.5
22172,Benzonitrile,bmse000284,3,131.8912,12.48
22173,Choline,bmse000285,1,70.1479,3.39
22174,Choline,bmse000285,2,70.1177,3.59
22175,Choline,bmse000285,3,70.0875,3.34
22176,Choline,bmse000285,4,58.3089,8.06
22177,Choline,bmse000285,5,56.621,11.8
22178,Choline,bmse000285,6,56.5813,12.5
22179,Choline,bmse000285,7,56.542,12.01
22180,Acetophenone,bmse000286,1,136.8469,7.17
22181,Acetophenone,bmse000286,2,131.5104,12.5
22182,Acetophenone,bmse000286,3,131.2516,11.84
22183,Acetophenone,bmse000286,4,28.9711,3.47
22184,Pantothenate,bmse000287,1,183.0208,3.24
22185,Pantothenate,bmse000287,2,177.6531,4.02
22186,Pantothenate,bmse000287,3,78.4586,12.5
22187,Pantothenate,bmse000287,4,71.0985,10.81
22188,Pantothenate,bmse000287,5,41.2778,8.26
22189,Pantothenate,bmse000287,6,39.3779,10.45
22190,Pantothenate,bmse000287,7,38.8533,9.94
22191,Pantothenate,bmse000287,8,23.2349,9.96
22192,Pantothenate,bmse000287,9,21.8424,10.1
22193,Pyridoxine,bmse000288,1,163.4259,2.28
22194,Pyridoxine,bmse000288,2,146.9983,3.52
22195,Pyridoxine,bmse000288,3,141.4468,3.78
22196,Pyridoxine,bmse000288,4,138.1842,4.52
22197,Pyridoxine,bmse000288,5,127.4073,3.84
22198,Pyridoxine,bmse000288,6,61.4656,12.5
22199,Pyridoxine,bmse000288,7,58.6687,10.33
22200,Pyridoxine,bmse000288,8,18.2013,8.23
22201,S_Adenosyl_L_homocysteine,bmse000289,1,176.8876,4.61
22202,S_Adenosyl_L_homocysteine,bmse000289,2,158.3878,3.44
22203,S_Adenosyl_L_homocysteine,bmse000289,3,155.6615,9.39
22204,S_Adenosyl_L_homocysteine,bmse000289,4,151.6956,3.2
22205,S_Adenosyl_L_homocysteine,bmse000289,5,142.814,7.91
22206,S_Adenosyl_L_homocysteine,bmse000289,6,121.5644,2.04
22207,S_Adenosyl_L_homocysteine,bmse000289,7,90.125,10.63
22208,S_Adenosyl_L_homocysteine,bmse000289,8,90.0104,2.04
22209,S_Adenosyl_L_homocysteine,bmse000289,9,86.1029,11.9
22210,S_Adenosyl_L_homocysteine,bmse000289,10,75.9715,11.38
22211,S_Adenosyl_L_homocysteine,bmse000289,11,75.0004,12.5
22212,S_Adenosyl_L_homocysteine,bmse000289,12,56.4364,10.43
22213,S_Adenosyl_L_homocysteine,bmse000289,13,36.2065,8.4
22214,S_Adenosyl_L_homocysteine,bmse000289,14,33.1203,8.91
22215,S_Adenosyl_L_homocysteine,bmse000289,15,30.4627,9.14
22216,Phenol,bmse000290,1,132.703,11.87
22217,Phenol,bmse000290,2,123.3534,6.56
22218,Phenol,bmse000290,3,118.0886,12.5
22219,Selenomethionine,bmse000291,1,176.8764,2.7
22220,Selenomethionine,bmse000291,2,57.3265,11.71
22221,Selenomethionine,bmse000291,3,33.5106,11.73
22222,Selenomethionine,bmse000291,4,21.8408,12.5
22223,Selenomethionine,bmse000291,5,5.875,6.96
22224,UDPglucuronate,bmse000292,1,179.1513,4.63
22225,UDPglucuronate,bmse000292,2,169.0242,5.14
22226,UDPglucuronate,bmse000292,3,154.6097,3.93
22227,UDPglucuronate,bmse000292,4,144.2873,8.42
22228,UDPglucuronate,bmse000292,5,105.4108,10.1
22229,UDPglucuronate,bmse000292,6,98.1166,5.83
22230,UDPglucuronate,bmse000292,7,98.0506,5.78
22231,UDPglucuronate,bmse000292,8,91.0126,10.69
22232,UDPglucuronate,bmse000292,9,86.0368,5.52
22233,UDPglucuronate,bmse000292,10,85.9455,5.68
22234,UDPglucuronate,bmse000292,11,76.498,12.5
22235,UDPglucuronate,bmse000292,12,75.7603,10.99
22236,UDPglucuronate,bmse000292,13,75.2986,10.18
22237,UDPglucuronate,bmse000292,14,74.5675,11.19
22238,UDPglucuronate,bmse000292,15,74.1227,5.66
22239,UDPglucuronate,bmse000292,16,74.0395,5.54
22240,UDPglucuronate,bmse000292,17,72.367,11.96
22241,UDPglucuronate,bmse000292,18,67.7081,4.35
22242,UDPglucuronate,bmse000292,19,67.6532,4.54
22243,UDPglucuronate,bmse000292,20,60.142,1.01
22244,UDPglucuronate,bmse000292,21,19.5053,1.3
22245,Hydroquinone,bmse000293,1,151.6552,1.09
22246,Hydroquinone,bmse000293,2,119.0705,12.5
22247,Methanol,bmse000294,1,51.571,12.5
22248,Methanol,bmse000294,2,8.3835,1.29
22249,UTP,bmse000295,1,169.0527,4.84
22250,UTP,bmse000295,2,154.6305,3.56
22251,UTP,bmse000295,3,144.4685,8.62
22252,UTP,bmse000295,4,105.3558,9.9
22253,UTP,bmse000295,5,90.9803,10.91
22254,UTP,bmse000295,6,86.0794,5.45
22255,UTP,bmse000295,7,85.9897,5.66
22256,UTP,bmse000295,8,76.4645,12.5
22257,UTP,bmse000295,9,72.1667,11.59
22258,UTP,bmse000295,10,67.5196,4.26
22259,UTP,bmse000295,11,67.4644,4.32
22260,UTP,bmse000295,12,60.1427,1.1
22261,dTMP,bmse000296,1,169.2356,1.23
22262,dTMP,bmse000296,2,160.5265,1.29
22263,dTMP,bmse000296,3,154.4333,1.31
22264,dTMP,bmse000296,4,140.1216,3.35
22265,dTMP,bmse000296,5,114.2982,2.37
22266,dTMP,bmse000296,6,88.3382,2.04
22267,dTMP,bmse000296,7,88.2519,1.87
22268,dTMP,bmse000296,8,87.8416,3.66
22269,dTMP,bmse000296,9,73.7576,4.03
22270,dTMP,bmse000296,10,69.7071,3.43
22271,dTMP,bmse000296,11,69.6331,3.39
22272,dTMP,bmse000296,12,68.674,6.88
22273,dTMP,bmse000296,13,67.0077,1.54
22274,dTMP,bmse000296,14,66.9519,1.6
22275,dTMP,bmse000296,15,57.1741,5.62
22276,dTMP,bmse000296,16,50.7174,6.42
22277,dTMP,bmse000296,17,47.4494,6.5
22278,dTMP,bmse000296,18,41.3959,3.4
22279,dTMP,bmse000296,19,35.6124,12.5
22280,dTMP,bmse000296,20,27.378,11.97
22281,dTMP,bmse000296,21,27.3297,7.39
22282,dTMP,bmse000296,22,14.3887,4.03
22283,Ethanol,bmse000297,1,60.1347,10.57
22284,Ethanol,bmse000297,2,19.4922,12.5
22285,D_Glyceraldehyde,bmse000298,1,92.4619,11.47
22286,D_Glyceraldehyde,bmse000298,2,76.7643,11.97
22287,D_Glyceraldehyde,bmse000298,3,67.5383,2.02
22288,D_Glyceraldehyde,bmse000298,4,64.6757,12.5
22289,Folate,bmse000299,1,185.1947,10.02
22290,Folate,bmse000299,2,182.1813,8.33
22291,Folate,bmse000299,3,171.6618,6.23
22292,Folate,bmse000299,4,167.4706,1.1
22293,Folate,bmse000299,5,156.8561,3.58
22294,Folate,bmse000299,6,154.9662,1.2
22295,Folate,bmse000299,7,152.4534,5.63
22296,Folate,bmse000299,8,150.9644,2.57
22297,Folate,bmse000299,9,150.4027,4.37
22298,Folate,bmse000299,10,131.6987,1.03
22299,Folate,bmse000299,11,131.3015,7.38
22300,Folate,bmse000299,12,129.0129,4.84
22301,Folate,bmse000299,13,123.0856,5.17
22302,Folate,bmse000299,14,113.9108,6.41
22303,Folate,bmse000299,15,58.6333,8.76
22304,Folate,bmse000299,16,47.4239,2.98
22305,Folate,bmse000299,17,37.0651,12.5
22306,Folate,bmse000299,18,31.1742,7.87
22307,Benzoate,bmse000300,1,138.9121,1.04
22308,Benzoate,bmse000300,2,133.9731,7.03
22309,Benzoate,bmse000300,3,131.4957,12.46
22310,Benzoate,bmse000300,4,131.0181,12.5
22311,1_3_diaminopropane,bmse000001,1,39.3182,12.5
22312,1_3_diaminopropane,bmse000001,2,27.6038,6.62
22313,2_3_diphospho_D_glyceric_acid,bmse000002,1,180.6244,6.14
22314,2_3_diphospho_D_glyceric_acid,bmse000002,2,77.8926,9.81
22315,2_3_diphospho_D_glyceric_acid,bmse000002,3,77.8397,8.95
22316,2_3_diphospho_D_glyceric_acid,bmse000002,4,77.8017,8.58
22317,2_3_diphospho_D_glyceric_acid,bmse000002,5,77.7593,8.04
22318,2_3_diphospho_D_glyceric_acid,bmse000002,6,69.2089,12.5
22319,2_deoxyguanosine,bmse000003,1,140.4376,7.32
22320,2_deoxyguanosine,bmse000003,2,89.8652,7.61
22321,2_deoxyguanosine,bmse000003,3,86.6745,9.57
22322,2_deoxyguanosine,bmse000003,4,73.9059,12.5
22323,2_deoxyguanosine,bmse000003,5,64.3305,8.45
22324,2_deoxyguanosine,bmse000003,6,41.3976,8.86
22325,adenine,bmse000060,1,153.1875,0.8
22326,adenine,bmse000060,2,151.829,1.02
22327,adenine,bmse000060,3,147.5748,11.47
22328,adenine,bmse000060,4,146.3944,12.5
22329,adenine,bmse000060,5,118.324,0.66
22330,adenosine,bmse000061,1,155.2065,8.59
22331,adenosine,bmse000061,2,151.091,3.13
22332,adenosine,bmse000061,3,143.2708,6.58
22333,adenosine,bmse000061,4,91.0332,10.74
22334,adenosine,bmse000061,5,88.5401,11.36
22335,adenosine,bmse000061,6,76.3929,12.5
22336,adenosine,bmse000061,7,73.3525,11.01
22337,adenosine,bmse000061,8,64.2162,10.03
22338,adenosine,bmse000061,9,133.0864,1.07
22339,adonitol,bmse000062,1,74.8925,6.76
22340,adonitol,bmse000062,2,74.8008,11.44
22341,adonitol,bmse000062,3,65.0705,12.5
22342,ADP,bmse000004,1,158.1533,6.68
22343,ADP,bmse000004,2,155.4207,12.01
22344,ADP,bmse000004,3,151.6456,1.97
22345,ADP,bmse000004,4,151.5495,1.81
22346,ADP,bmse000004,5,142.8127,2.95
22347,ADP,bmse000004,6,142.5832,3.64
22348,ADP,bmse000004,7,121.1747,1.72
22349,ADP,bmse000004,8,89.778,10.17
22350,ADP,bmse000004,9,89.5551,6.01
22351,ADP,bmse000004,10,87.4621,3.15
22352,ADP,bmse000004,11,87.3746,3.43
22353,ADP,bmse000004,12,86.4858,4.81
22354,ADP,bmse000004,13,86.3979,5.28
22355,ADP,bmse000004,14,77.2288,6.53
22356,ADP,bmse000004,15,77.0622,12.5
22357,ADP,bmse000004,16,73.4056,6.43
22358,ADP,bmse000004,17,72.6057,12.04
22359,ADP,bmse000004,18,67.1794,3.82
22360,ADP,bmse000004,19,67.1297,3.91
22361,ADP,bmse000004,20,66.2518,2.61
22362,ADP,bmse000004,21,66.2091,2.71
22363,agmatine,bmse000063,1,159.5178,1.15
22364,agmatine,bmse000063,2,43.1542,9.26
22365,agmatine,bmse000063,3,41.7324,8.53
22366,agmatine,bmse000063,4,27.7024,11.07
22367,agmatine,bmse000063,5,26.715,12.5
22368,D_allose,bmse000008,1,96.1036,10.7
22369,D_allose,bmse000008,2,95.5286,1.55
22370,D_allose,bmse000008,3,76.2932,11.82
22371,D_allose,bmse000008,4,74.3841,1.58
22372,D_allose,bmse000008,5,73.9304,11.03
22373,D_allose,bmse000008,6,73.8513,12.02
22374,D_allose,bmse000008,7,69.7109,1.21
22375,D_allose,bmse000008,8,69.5516,1.22
22376,D_allose,bmse000008,9,69.4757,12.5
22377,D_allose,bmse000008,10,68.7507,2.03
22378,D_allose,bmse000008,11,63.8517,10.79
22379,D_allose,bmse000008,12,63.3663,1.24
22380,D_fructose,bmse000010,1,100.7878,2.8
22381,D_fructose,bmse000010,2,83.3844,4
22382,D_fructose,bmse000010,3,78.7409,1.35
22383,D_fructose,bmse000010,4,78.0833,3.23
22384,D_fructose,bmse000010,5,77.1431,3.97
22385,D_fructose,bmse000010,6,72.3808,12.5
22386,D_fructose,bmse000010,7,71.9017,10.92
22387,D_fructose,bmse000010,8,70.2559,10.72
22388,D_fructose,bmse000010,9,66.587,11.06
22389,D_fructose,bmse000010,10,66.0735,12.1
22390,D_fructose,bmse000010,11,65.3682,3.85
22391,D_fructose,bmse000010,12,65.074,4.07
22392,D_galactose,bmse000013,1,99.1714,10.5
22393,D_galactose,bmse000013,2,94.9986,5.59
22394,D_galactose,bmse000013,3,77.8681,12.5
22395,D_galactose,bmse000013,4,75.5121,11.36
22396,D_galactose,bmse000013,5,74.5893,11.5
22397,D_galactose,bmse000013,6,73.1956,6.08
22398,D_galactose,bmse000013,7,72.0185,5.93
22399,D_galactose,bmse000013,8,71.879,5.94
22400,D_galactose,bmse000013,9,71.4595,12.5
22401,D_galactose,bmse000013,10,71.0589,5.22
22402,D_galactose,bmse000013,11,63.8951,5.64
22403,D_galactose,bmse000013,12,63.6909,11.96
22404,D_glucose,bmse000015,1,98.6177,12.18
22405,D_glucose,bmse000015,2,94.8017,7.46
22406,D_glucose,bmse000015,3,78.6602,12.5
22407,D_glucose,bmse000015,4,78.46,12.38
22408,D_glucose,bmse000015,5,76.8429,11.94
22409,D_glucose,bmse000015,6,75.4621,6.95
22410,D_glucose,bmse000015,7,74.1868,7.96
22411,D_glucose,bmse000015,8,74.1521,7.85
22412,D_glucose,bmse000015,9,72.3476,7.59
22413,D_glucose,bmse000015,10,72.3041,12.25
22414,D_glucose,bmse000015,11,63.4496,11.55
22415,D_glucose,bmse000015,12,63.2877,6.43
22416,D_mannose,bmse000018,1,96.747,10.66
22417,D_mannose,bmse000018,2,96.3827,5.27
22418,D_mannose,bmse000018,3,78.8753,4.9
22419,D_mannose,bmse000018,4,75.7486,5.48
22420,D_mannose,bmse000018,5,75.1093,11.15
22421,D_mannose,bmse000018,6,73.9252,5.51
22422,D_mannose,bmse000018,7,73.3921,10.59
22423,D_mannose,bmse000018,8,72.9329,10.68
22424,D_mannose,bmse000018,9,69.5495,10.82
22425,D_mannose,bmse000018,10,69.3058,5.88
22426,D_mannose,bmse000018,11,63.666,12.5
22427,D_psicose,bmse000020,1,105.9793,2.62
22428,D_psicose,bmse000020,2,101.1482,2.31
22429,D_psicose,bmse000020,3,85.4184,12.5
22430,D_psicose,bmse000020,4,77.3405,2.67
22431,D_psicose,bmse000020,5,74.437,5.54
22432,D_psicose,bmse000020,6,73.7152,3.61
22433,D_psicose,bmse000020,7,73.0555,10.59
22434,D_psicose,bmse000020,8,73.0326,11.16
22435,D_psicose,bmse000020,9,72.9119,5.49
22436,D_psicose,bmse000020,10,71.7174,6.08
22437,D_psicose,bmse000020,11,68.562,7.08
22438,D_psicose,bmse000020,12,68.1859,7.9
22439,D_psicose,bmse000020,13,67.7838,6.98
22440,D_psicose,bmse000020,14,66.8844,6.45
22441,D_psicose,bmse000020,15,66.6778,4.36
22442,D_psicose,bmse000020,16,65.9583,9.93
22443,D_psicose,bmse000020,17,65.7568,6.2
22444,D_psicose,bmse000020,18,65.5148,3.26
22445,D_psicose,bmse000020,19,65.0727,3.8
22446,D_psicose,bmse000020,20,64.029,7.13
22447,D_psicose,bmse000020,21,60.6736,5.34
22448,D_sorbose,bmse000022,1,100.4423,2.8
22449,D_sorbose,bmse000022,2,76.5308,8.63
22450,D_sorbose,bmse000022,3,73.0506,8.72
22451,D_sorbose,bmse000022,4,72.1197,12.5
22452,D_sorbose,bmse000022,5,66.1492,9.88
22453,D_sorbose,bmse000022,6,64.4696,11
22454,D_tagatose,bmse000023,1,100.9098,3.49
22455,D_tagatose,bmse000023,2,73.6229,12.5
22456,D_tagatose,bmse000023,3,72.484,10.38
22457,D_tagatose,bmse000023,4,71.9743,2.2
22458,D_tagatose,bmse000023,5,69.0595,10.53
22459,D_tagatose,bmse000023,6,66.5918,10.06
22460,D_tagatose,bmse000023,7,66.403,1.92
22461,D_tagatose,bmse000023,8,66.1917,1.73
22462,D_tagatose,bmse000023,9,64.9495,7.98
22463,D_tagatose,bmse000023,10,62.8345,1.69
22464,D_xylose,bmse000026,1,99.3304,11.78
22465,D_xylose,bmse000026,2,94.9405,6.48
22466,D_xylose,bmse000026,3,78.526,10.11
22467,D_xylose,bmse000026,4,76.7418,12.5
22468,D_xylose,bmse000026,5,75.5229,5.77
22469,D_xylose,bmse000026,6,74.1661,6.42
22470,D_xylose,bmse000026,7,72.1118,6.54
22471,D_xylose,bmse000026,8,71.9378,12.28
22472,D_xylose,bmse000026,9,67.899,10.25
22473,D_xylose,bmse000026,10,63.6456,5.21
22474,alpha_ketoglutaric_acid,bmse000064,1,184.1528,2.07
22475,alpha_ketoglutaric_acid,bmse000064,2,38.5723,12.5
22476,alpha_ketoglutaric_acid,bmse000064,3,33.3219,9.83
22477,alpha_lactose,bmse000065,1,105.6382,8.25
22478,alpha_lactose,bmse000065,2,98.4725,7.33
22479,alpha_lactose,bmse000065,3,94.539,4.05
22480,alpha_lactose,bmse000065,4,81.1636,3.89
22481,alpha_lactose,bmse000065,5,81.0377,6.84
22482,alpha_lactose,bmse000065,6,78.0734,12.5
22483,alpha_lactose,bmse000065,7,77.522,7.34
22484,alpha_lactose,bmse000065,8,77.0808,7.32
22485,alpha_lactose,bmse000065,9,76.5296,7.28
22486,alpha_lactose,bmse000065,10,75.2407,11.24
22487,alpha_lactose,bmse000065,11,74.1286,4.28
22488,alpha_lactose,bmse000065,12,73.8715,4.75
22489,alpha_lactose,bmse000065,13,73.6835,9.31
22490,alpha_lactose,bmse000065,14,72.8271,3.84
22491,alpha_lactose,bmse000065,15,71.272,8.2
22492,alpha_lactose,bmse000065,16,63.7524,7.27
22493,alpha_lactose,bmse000065,17,62.8108,4.95
22494,alpha_lactose,bmse000065,18,62.6765,3.11
22495,4_aminobenzoic_acid,bmse000066,1,133.5667,12.5
22496,4_aminobenzoic_acid,bmse000066,2,128.9442,1.1
22497,4_aminobenzoic_acid,bmse000066,3,117.8119,11.36
22498,AMP,bmse000005,1,158.1415,3.52
22499,AMP,bmse000005,2,155.4083,9.41
22500,AMP,bmse000005,3,151.6344,4.45
22501,AMP,bmse000005,4,142.8031,7.78
22502,AMP,bmse000005,5,121.1486,2.72
22503,AMP,bmse000005,6,89.5563,11.53
22504,AMP,bmse000005,7,87.4594,6.04
22505,AMP,bmse000005,8,87.3722,6.06
22506,AMP,bmse000005,9,77.2299,12.5
22507,AMP,bmse000005,10,73.4036,12.24
22508,AMP,bmse000005,11,66.25,4.83
22509,AMP,bmse000005,12,66.2055,5.13
22510,anthranilic_acid,bmse000067,1,150.2702,2.1
22511,anthranilic_acid,bmse000067,2,134.7227,10.28
22512,anthranilic_acid,bmse000067,3,133.6538,12.5
22513,anthranilic_acid,bmse000067,4,123.4956,1.99
22514,anthranilic_acid,bmse000067,5,120.6937,11.1
22515,anthranilic_acid,bmse000067,6,120.3926,11.42
22516,L_arabitol,bmse000068,1,73.609,12.5
22517,L_arabitol,bmse000068,2,73.1399,11.93
22518,L_arabitol,bmse000068,3,72.9514,12.49
22519,L_arabitol,bmse000068,4,65.7296,10.81
22520,L_arabitol,bmse000068,5,65.6383,9.86
22521,ATP,bmse000006,1,158.2621,4.05
22522,ATP,bmse000006,2,155.4997,9.32
22523,ATP,bmse000006,3,151.7848,3.62
22524,ATP,bmse000006,4,142.6155,7.12
22525,ATP,bmse000006,5,121.2616,2.51
22526,ATP,bmse000006,6,89.3634,10.94
22527,ATP,bmse000006,7,86.7432,5.75
22528,ATP,bmse000006,8,86.6543,5.65
22529,ATP,bmse000006,9,76.9481,12.5
22530,ATP,bmse000006,10,72.9427,11.75
22531,ATP,bmse000006,11,67.8017,4.32
22532,ATP,bmse000006,12,67.7473,4.42
22533,betaine,bmse000069,1,171.9654,1.21
22534,betaine,bmse000069,2,68.893,3.07
22535,betaine,bmse000069,3,68.8587,3.29
22536,betaine,bmse000069,4,68.8297,3.27
22537,betaine,bmse000069,5,56.0898,10.14
22538,betaine,bmse000069,6,56.0509,12.5
22539,betaine,bmse000069,7,56.0118,10.21
22540,betaine_aldehyde,bmse000070,1,87.5694,9.74
22541,betaine_aldehyde,bmse000070,2,56.9587,10.45
22542,betaine_aldehyde,bmse000070,3,56.9195,12.5
22543,betaine_aldehyde,bmse000070,4,56.8886,11.17
22544,cadaverine,bmse000072,1,41.871,11.66
22545,cadaverine,bmse000072,2,28.9617,12.5
22546,cadaverine,bmse000072,3,25.3762,5.64
22547,cAMP,bmse000071,1,158.0318,4.3
22548,cAMP,bmse000071,2,155.524,10.63
22549,cAMP,bmse000071,3,150.7719,4.62
22550,cAMP,bmse000071,4,142.3466,9.68
22551,cAMP,bmse000071,5,121.2041,3.29
22552,cAMP,bmse000071,6,94.2109,12.5
22553,cAMP,bmse000071,7,80.0206,6.2
22554,cAMP,bmse000071,8,79.9754,6.98
22555,cAMP,bmse000071,9,75.0214,7.05
22556,cAMP,bmse000071,10,74.9418,7.25
22557,cAMP,bmse000071,11,74.463,6.46
22558,cAMP,bmse000071,12,70.0836,5.58
22559,cAMP,bmse000071,13,70.0142,5.05
22560,L_canavanine,bmse000073,1,177.0117,3.9
22561,L_canavanine,bmse000073,2,161.2671,2
22562,L_canavanine,bmse000073,3,74.5403,11.99
22563,L_canavanine,bmse000073,4,55.2855,12.02
22564,L_canavanine,bmse000073,5,31.809,12.5
22565,D_carnitine,bmse000074,1,180.7779,2.25
22566,D_carnitine,bmse000074,2,72.8193,4.47
22567,D_carnitine,bmse000074,3,72.7942,3.83
22568,D_carnitine,bmse000074,4,66.791,9.37
22569,D_carnitine,bmse000074,5,56.8328,10.48
22570,D_carnitine,bmse000074,6,56.7941,12.5
22571,D_carnitine,bmse000074,7,56.7554,10.44
22572,D_carnitine,bmse000074,8,45.6802,6.79
22573,chorismic_acid,bmse000075,1,155.9825,4.51
22574,chorismic_acid,bmse000075,2,137.1007,3.63
22575,chorismic_acid,bmse000075,3,132.6303,11.7
22576,chorismic_acid,bmse000075,4,131.7674,9.54
22577,chorismic_acid,bmse000075,5,126.7891,9.9
22578,chorismic_acid,bmse000075,6,95.5643,8.84
22579,chorismic_acid,bmse000075,7,82.3153,12.5
22580,chorismic_acid,bmse000075,8,72.8256,12.45
22581,citrate,bmse000076,1,184.7215,1.13
22582,citrate,bmse000076,2,182.0353,2.11
22583,citrate,bmse000076,3,77.9249,1.44
22584,citrate,bmse000076,4,48.4023,12.5
22585,coumarin,bmse000077,1,163.4646,0.72
22586,coumarin,bmse000077,2,156.7265,1.12
22587,coumarin,bmse000077,3,146.1206,6.54
22588,coumarin,bmse000077,4,134.5133,12.5
22589,coumarin,bmse000077,5,130.5441,8.87
22590,coumarin,bmse000077,6,127.1083,11.93
22591,coumarin,bmse000077,7,121.5098,1.08
22592,coumarin,bmse000077,8,119.5804,6.82
22593,coumarin,bmse000077,9,119.3784,7.14
22594,creatine,bmse000078,1,177.3494,1.87
22595,creatine,bmse000078,2,56.549,12.5
22596,creatine,bmse000078,3,39.6249,7.16
22597,creatine_phosphate,bmse000079,1,177.5977,1.69
22598,creatine_phosphate,bmse000079,2,56.5658,12.5
22599,creatine_phosphate,bmse000079,3,39.5149,7.02
22600,dehydro_proline,bmse000080,1,174.9837,1.15
22601,dehydro_proline,bmse000080,2,128.3998,11.9
22602,dehydro_proline,bmse000080,3,128.1163,10.28
22603,dehydro_proline,bmse000080,4,71.129,8.12
22604,dehydro_proline,bmse000080,5,55.1054,12.5
22605,D_3_phosphoglyceric_acid,bmse000007,1,181.5589,4.18
22606,D_3_phosphoglyceric_acid,bmse000007,2,75.6758,11.64
22607,D_3_phosphoglyceric_acid,bmse000007,3,75.5997,9.71
22608,D_3_phosphoglyceric_acid,bmse000007,4,69.5144,10.45
22609,D_3_phosphoglyceric_acid,bmse000007,5,69.4639,12.5
22610,D_fructose_1_6_bisphosphate,bmse000011,1,107.7441,1.24
22611,D_fructose_1_6_bisphosphate,bmse000011,2,107.6859,1.45
22612,D_fructose_1_6_bisphosphate,bmse000011,3,103.7998,2.79
22613,D_fructose_1_6_bisphosphate,bmse000011,4,103.7169,2.58
22614,D_fructose_1_6_bisphosphate,bmse000011,5,84.7524,1.84
22615,D_fructose_1_6_bisphosphate,bmse000011,6,84.6734,1.8
22616,D_fructose_1_6_bisphosphate,bmse000011,7,84.1618,3.88
22617,D_fructose_1_6_bisphosphate,bmse000011,8,82.4331,4.33
22618,D_fructose_1_6_bisphosphate,bmse000011,9,82.3517,4.54
22619,D_fructose_1_6_bisphosphate,bmse000011,10,79.436,3.58
22620,D_fructose_1_6_bisphosphate,bmse000011,11,78.4857,12.5
22621,D_fructose_1_6_bisphosphate,bmse000011,12,76.8309,8.44
22622,D_fructose_1_6_bisphosphate,bmse000011,13,68.3534,4.96
22623,D_fructose_1_6_bisphosphate,bmse000011,14,67.3714,1.78
22624,D_fructose_1_6_bisphosphate,bmse000011,15,67.0519,6.07
22625,D_fructose_1_6_bisphosphate,bmse000011,16,67.0078,5.96
22626,D_fructose_1_6_bisphosphate,bmse000011,17,66.9036,2.2
22627,D_fructose_1_6_bisphosphate,bmse000011,18,66.8591,2.2
22628,D_fructose_6_phosphate,bmse000012,1,107.1352,1.18
22629,D_fructose_6_phosphate,bmse000012,2,104.1799,5.96
22630,D_fructose_6_phosphate,bmse000012,3,84.4579,2.69
22631,D_fructose_6_phosphate,bmse000012,4,83.1582,1.38
22632,D_fructose_6_phosphate,bmse000012,5,83.081,1.12
22633,D_fructose_6_phosphate,bmse000012,6,82.6592,6.1
22634,D_fructose_6_phosphate,bmse000012,7,82.5783,5.8
22635,D_fructose_6_phosphate,bmse000012,8,78.536,2.85
22636,D_fructose_6_phosphate,bmse000012,9,77.8697,12.5
22637,D_fructose_6_phosphate,bmse000012,10,77.0604,11.73
22638,D_fructose_6_phosphate,bmse000012,11,67.0498,5.65
22639,D_fructose_6_phosphate,bmse000012,12,67.0041,5.36
22640,D_fructose_6_phosphate,bmse000012,13,66.1661,1.42
22641,D_fructose_6_phosphate,bmse000012,14,65.5593,2.38
22642,D_fructose_6_phosphate,bmse000012,15,65.331,9.82
22643,D_glucosamine,bmse000014,1,96.4205,8.72
22644,D_glucosamine,bmse000014,2,92.2506,9.77
22645,D_glucosamine,bmse000014,3,78.8513,9.64
22646,D_glucosamine,bmse000014,4,75.5831,6.35
22647,D_glucosamine,bmse000014,5,74.3295,12.27
22648,D_glucosamine,bmse000014,6,72.756,10.13
22649,D_glucosamine,bmse000014,7,72.4003,6.63
22650,D_glucosamine,bmse000014,8,72.3164,12.5
22651,D_glucosamine,bmse000014,9,63.2588,6.09
22652,D_glucosamine,bmse000014,10,63.0618,8.38
22653,D_glucosamine,bmse000014,11,59.6201,8.02
22654,D_glucosamine,bmse000014,12,57.0959,11.82
22655,D_glucose_6_phosphate,bmse000016,1,98.7788,8.55
22656,D_glucose_6_phosphate,bmse000016,2,94.9276,4.89
22657,D_glucose_6_phosphate,bmse000016,3,78.1764,4.82
22658,D_glucose_6_phosphate,bmse000016,4,78.106,3.56
22659,D_glucose_6_phosphate,bmse000016,5,77.9455,6.69
22660,D_glucose_6_phosphate,bmse000016,6,76.9831,9.41
22661,D_glucose_6_phosphate,bmse000016,7,75.0341,3.92
22662,D_glucose_6_phosphate,bmse000016,8,74.314,4.27
22663,D_glucose_6_phosphate,bmse000016,9,73.8171,2.12
22664,D_glucose_6_phosphate,bmse000016,10,73.7484,2.83
22665,D_glucose_6_phosphate,bmse000016,11,71.7635,12.5
22666,D_glucose_6_phosphate,bmse000016,12,65.5737,3.84
22667,D_glucose_6_phosphate,bmse000016,13,65.5308,3.24
22668,D_glucose_6_phosphate,bmse000016,14,65.4799,2.31
22669,D_maltose,bmse000017,1,102.3099,6.16
22670,D_maltose,bmse000017,2,102.2275,9.38
22671,D_maltose,bmse000017,3,98.4704,10.34
22672,D_maltose,bmse000017,4,94.5912,6.33
22673,D_maltose,bmse000017,5,79.5285,5.17
22674,D_maltose,bmse000017,6,79.3217,8.47
22675,D_maltose,bmse000017,7,78.9276,9.15
22676,D_maltose,bmse000017,8,77.2648,10.83
22677,D_maltose,bmse000017,9,76.7045,8.61
22678,D_maltose,bmse000017,10,75.9471,5.48
22679,D_maltose,bmse000017,11,75.5584,7.84
22680,D_maltose,bmse000017,12,75.5345,10.55
22681,D_maltose,bmse000017,13,75.3859,9.92
22682,D_maltose,bmse000017,14,74.4492,5.89
22683,D_maltose,bmse000017,15,74.3558,8.17
22684,D_maltose,bmse000017,16,73.9924,5.77
22685,D_maltose,bmse000017,17,72.6486,6.16
22686,D_maltose,bmse000017,18,72.0198,8.44
22687,D_maltose,bmse000017,19,63.4361,6.09
22688,D_maltose,bmse000017,20,63.2871,4.41
22689,D_maltose,bmse000017,21,63.1596,12.5
22690,D_ornithine,bmse000019,1,56.8208,12.5
22691,D_ornithine,bmse000019,2,41.5722,10.12
22692,D_ornithine,bmse000019,3,30.1825,12.11
22693,D_ornithine,bmse000019,4,25.4604,8.77
22694,D_threo_isocitric_acid,bmse000025,1,183.683,6.79
22695,D_threo_isocitric_acid,bmse000025,2,182.958,3.11
22696,D_threo_isocitric_acid,bmse000025,3,76.3916,11.16
22697,D_threo_isocitric_acid,bmse000025,4,51.8047,12.5
22698,D_threo_isocitric_acid,bmse000025,5,40.3285,10.98
22699,D_xylulose,bmse000027,1,108.4502,1.01
22700,D_xylulose,bmse000027,2,105.6511,3.08
22701,D_xylulose,bmse000027,3,83.18,3.1
22702,D_xylulose,bmse000027,4,78.9065,11.61
22703,D_xylulose,bmse000027,5,78.5426,3.96
22704,D_xylulose,bmse000027,6,78.011,2.93
22705,D_xylulose,bmse000027,7,77.5565,9.89
22706,D_xylulose,bmse000027,8,74.6749,2.45
22707,D_xylulose,bmse000027,9,74.6163,2.47
22708,D_xylulose,bmse000027,10,72.5201,10.76
22709,D_xylulose,bmse000027,11,68.7345,3.03
22710,D_xylulose,bmse000027,12,65.6799,12.5
22711,D_xylulose,bmse000027,13,65.1062,3.07
22712,D_xylulose,bmse000027,14,64.5556,3.06
22713,fumaric_acid,bmse000083,1,177.424,1.91
22714,fumaric_acid,bmse000083,2,138.042,12.5
22715,gluconic_acid,bmse000084,1,181.3386,1.89
22716,gluconic_acid,bmse000084,2,76.7743,10.33
22717,gluconic_acid,bmse000084,3,75.2613,9.8
22718,gluconic_acid,bmse000084,4,73.8705,12.36
22719,gluconic_acid,bmse000084,5,73.6525,10.2
22720,gluconic_acid,bmse000084,6,65.308,12.5
22721,alpha_D_glucose_1_phosphate,bmse000086,1,96.3867,5.99
22722,alpha_D_glucose_1_phosphate,bmse000086,2,96.3335,6.2
22723,alpha_D_glucose_1_phosphate,bmse000086,3,75.8391,10.34
22724,alpha_D_glucose_1_phosphate,bmse000086,4,74.9392,5.94
22725,alpha_D_glucose_1_phosphate,bmse000086,5,74.871,6.51
22726,alpha_D_glucose_1_phosphate,bmse000086,6,74.7037,12.5
22727,alpha_D_glucose_1_phosphate,bmse000086,7,72.4482,11.49
22728,alpha_D_glucose_1_phosphate,bmse000086,8,63.3999,9.58
22729,alpha_D_glucose_1_6_bisphosphate,bmse000087,1,96.6014,6.13
22730,alpha_D_glucose_1_6_bisphosphate,bmse000087,2,96.5465,7.96
22731,alpha_D_glucose_1_6_bisphosphate,bmse000087,3,75.3449,11.03
22732,alpha_D_glucose_1_6_bisphosphate,bmse000087,4,75.0612,6.57
22733,alpha_D_glucose_1_6_bisphosphate,bmse000087,5,74.9873,7.68
22734,alpha_D_glucose_1_6_bisphosphate,bmse000087,6,74.3802,6.65
22735,alpha_D_glucose_1_6_bisphosphate,bmse000087,7,74.317,7.4
22736,alpha_D_glucose_1_6_bisphosphate,bmse000087,8,71.5781,12.5
22737,alpha_D_glucose_1_6_bisphosphate,bmse000087,9,65.3993,4.84
22738,alpha_D_glucose_1_6_bisphosphate,bmse000087,10,65.3536,5.06
22739,glycine,bmse000089,1,175.1557,1.97
22740,glycine,bmse000089,2,44.1252,12.5
22741,guanine,bmse000090,1,170.3632,9.04
22742,guanine,bmse000090,2,163.6535,12.5
22743,guanine,bmse000090,3,161.8796,11.9
22744,guanine,bmse000090,4,120.9619,9.12
22745,guanosine,bmse000091,1,170.5025,1.71
22746,guanosine,bmse000091,2,163.3657,1.47
22747,guanosine,bmse000091,3,153.5645,2.67
22748,guanosine,bmse000091,4,139.3656,9.14
22749,guanosine,bmse000091,5,121.0084,1.46
22750,guanosine,bmse000091,6,90.841,11.95
22751,guanosine,bmse000091,7,88.5938,12.21
22752,guanosine,bmse000091,8,75.8197,12.21
22753,guanosine,bmse000091,9,73.7609,12.5
22754,guanosine,bmse000091,10,64.5009,9.96
22755,4_hydroxybenzoic_acid,bmse000092,1,161.2131,1.26
22756,4_hydroxybenzoic_acid,bmse000092,2,133.942,12.5
22757,4_hydroxybenzoic_acid,bmse000092,3,130.8287,1.62
22758,4_hydroxybenzoic_acid,bmse000092,4,117.592,10.22
22759,trans_3_hydroxycinnamic_acid,bmse000093,1,178.4192,2.27
22760,trans_3_hydroxycinnamic_acid,bmse000093,2,158.5422,3.6
22761,trans_3_hydroxycinnamic_acid,bmse000093,3,143.1901,8.95
22762,trans_3_hydroxycinnamic_acid,bmse000093,4,139.6042,3.48
22763,trans_3_hydroxycinnamic_acid,bmse000093,5,133.0298,11.46
22764,trans_3_hydroxycinnamic_acid,bmse000093,6,127.174,8.41
22765,trans_3_hydroxycinnamic_acid,bmse000093,7,122.9365,12.5
22766,trans_3_hydroxycinnamic_acid,bmse000093,8,119.3249,10.36
22767,trans_3_hydroxycinnamic_acid,bmse000093,9,116.6163,10.36
22768,hypoxanthine,bmse000094,1,164.9523,1.17
22769,hypoxanthine,bmse000094,2,159.7264,2.08
22770,hypoxanthine,bmse000094,3,150.37,10.69
22771,hypoxanthine,bmse000094,4,149.1756,12.5
22772,hypoxanthine,bmse000094,5,123.2364,1.06
22773,imidazole,bmse000096,1,137.7708,3.03
22774,imidazole,bmse000096,2,123.4233,12.5
22775,indole,bmse000097,1,138.3981,1.25
22776,indole,bmse000097,2,130.4755,1.24
22777,indole,bmse000097,3,126.7831,8.65
22778,indole,bmse000097,4,124.6229,12.5
22779,indole,bmse000097,5,123.3758,10.66
22780,indole,bmse000097,6,122.4493,10.48
22781,indole,bmse000097,7,113.6756,9.74
22782,indole,bmse000097,8,105.2378,11.58
22783,inosine,bmse000098,1,151.078,2.3
22784,inosine,bmse000098,2,148.9185,8.98
22785,inosine,bmse000098,3,142.8874,7.4
22786,inosine,bmse000098,4,126.8411,1.65
22787,inosine,bmse000098,5,91.1086,8.08
22788,inosine,bmse000098,6,88.2694,11.43
22789,inosine,bmse000098,7,76.7759,12.5
22790,inosine,bmse000098,8,73.0828,10.32
22791,inosine,bmse000098,9,64.0173,8.72
22792,i_erythritol,bmse000095,1,74.6148,12.5
22793,i_erythritol,bmse000095,2,65.3077,8.45
22794,L_alanine,bmse000028,1,178.5574,1.16
22795,L_alanine,bmse000028,2,53.2035,9.48
22796,L_alanine,bmse000028,3,18.8465,12.5
22797,L_arginine,bmse000029,1,177.2125,3.21
22798,L_arginine,bmse000029,2,57.0216,10.14
22799,L_arginine,bmse000029,3,43.2011,12.5
22800,L_arginine,bmse000029,4,30.2885,11.19
22801,L_arginine,bmse000029,5,26.5758,9.54
22802,L_asparagine,bmse000030,1,177.1771,1.47
22803,L_asparagine,bmse000030,2,176.209,1.94
22804,L_asparagine,bmse000030,3,53.9932,12.5
22805,L_asparagine,bmse000030,4,37.2983,11.26
22806,L_aspartic_acid,bmse000031,1,180.297,3.41
22807,L_aspartic_acid,bmse000031,2,176.9954,2.67
22808,L_aspartic_acid,bmse000031,3,54.9142,11.68
22809,L_aspartic_acid,bmse000031,4,39.2604,12.5
22810,L_citrulline,bmse000032,1,177.3878,3.15
22811,L_citrulline,bmse000032,2,164.2805,1.25
22812,L_citrulline,bmse000032,3,57.2048,11.84
22813,L_citrulline,bmse000032,4,41.9551,1.88
22814,L_citrulline,bmse000032,5,30.4444,12.5
22815,L_citrulline,bmse000032,6,27.6682,7.93
22816,L_cystathionine,bmse000033,1,56.4392,8
22817,L_cystathionine,bmse000033,2,56.2614,10.81
22818,L_cystathionine,bmse000033,3,34.8058,9.84
22819,L_cystathionine,bmse000033,4,32.8913,9.2
22820,L_cystathionine,bmse000033,5,29.7625,12.5
22821,L_cysteine,bmse000034,1,58.731,9.48
22822,L_cysteine,bmse000034,2,27.687,12.5
22823,L_cystine,bmse000035,1,183.331,3.03
22824,L_cystine,bmse000035,2,57.5783,12.5
22825,L_cystine,bmse000035,3,46.0281,10.99
22826,L_fucose,bmse000036,1,98.936,11.78
22827,L_fucose,bmse000036,2,94.9206,4.76
22828,L_fucose,bmse000036,3,75.6252,9.59
22829,L_fucose,bmse000036,4,74.6014,4.86
22830,L_fucose,bmse000036,5,74.3627,10.92
22831,L_fucose,bmse000036,6,74.1543,8.8
22832,L_fucose,bmse000036,7,73.586,9.85
22833,L_fucose,bmse000036,8,71.9701,4.6
22834,L_fucose,bmse000036,9,70.7832,3.67
22835,L_fucose,bmse000036,10,69.0314,4.4
22836,L_fucose,bmse000036,11,18.2232,12.5
22837,L_glutamic_acid,bmse000037,1,184.0438,2.16
22838,L_glutamic_acid,bmse000037,2,177.297,1.79
22839,L_glutamic_acid,bmse000037,3,57.3356,12.29
22840,L_glutamic_acid,bmse000037,4,36.1753,9.58
22841,L_glutamic_acid,bmse000037,5,29.6742,12.5
22842,L_glutamine,bmse000038,1,180.3694,1.86
22843,L_glutamine,bmse000038,2,176.8264,2.47
22844,L_glutamine,bmse000038,3,56.8326,9.96
22845,L_glutamine,bmse000038,4,33.528,10.99
22846,L_glutamine,bmse000038,5,28.9528,12.5
22847,L_histidine,bmse000039,1,176.6511,1.83
22848,L_histidine,bmse000039,2,138.9728,9.16
22849,L_histidine,bmse000039,3,134.6686,2.25
22850,L_histidine,bmse000039,4,119.5492,8.47
22851,L_histidine,bmse000039,5,57.4737,12.5
22852,L_histidine,bmse000039,6,30.7804,11.71
22853,L_homoserine,bmse000040,1,177.2374,1.7
22854,L_homoserine,bmse000040,2,61.3363,12.5
22855,L_homoserine,bmse000040,3,56.0719,8.39
22856,L_homoserine,bmse000040,4,34.8823,11.17
22857,L_isoleucine,bmse000041,1,176.9223,1.89
22858,L_isoleucine,bmse000041,2,62.2493,12.5
22859,L_isoleucine,bmse000041,3,38.5957,9.56
22860,L_isoleucine,bmse000041,4,27.1531,12.15
22861,L_isoleucine,bmse000041,5,17.3893,8.4
22862,L_isoleucine,bmse000041,6,13.8035,7.76
22863,L_leucine,bmse000042,1,178.3284,2.9
22864,L_leucine,bmse000042,2,56.1175,11.06
22865,L_leucine,bmse000042,3,42.5151,11.41
22866,L_leucine,bmse000042,4,26.8579,12.5
22867,L_leucine,bmse000042,5,24.7283,9.43
22868,L_leucine,bmse000042,6,23.5808,12.45
22869,L_lysine,bmse000043,1,177.4077,2.58
22870,L_lysine,bmse000043,2,57.1969,9.77
22871,L_lysine,bmse000043,3,41.7595,10.04
22872,L_lysine,bmse000043,4,32.6068,10.59
22873,L_lysine,bmse000043,5,29.1125,12.5
22874,L_lysine,bmse000043,6,24.1325,10.95
22875,malic_acid,bmse000046,1,183.7669,2.25
22876,malic_acid,bmse000046,2,182.5706,2
22877,malic_acid,bmse000046,3,73.0495,9.52
22878,malic_acid,bmse000046,4,45.3174,12.5
22879,L_methionine,bmse000044,1,177.0256,1.63
22880,L_methionine,bmse000044,2,56.5949,11.7
22881,L_methionine,bmse000044,3,32.3948,11.02
22882,L_methionine,bmse000044,4,31.5117,12.5
22883,L_methionine,bmse000044,5,16.6207,5.66
22884,L_phenylalanine,bmse000045,1,137.8245,2.32
22885,L_phenylalanine,bmse000045,2,132.08,12.5
22886,L_phenylalanine,bmse000045,3,131.8234,9.6
22887,L_phenylalanine,bmse000045,4,130.4017,5.37
22888,L_phenylalanine,bmse000045,5,58.7477,5.25
22889,L_phenylalanine,bmse000045,6,39.0993,5.55
22890,L_proline,bmse000047,1,177.4144,1.3
22891,L_proline,bmse000047,2,63.9229,11.05
22892,L_proline,bmse000047,3,48.7631,9.32
22893,L_proline,bmse000047,4,31.6863,12.5
22894,L_proline,bmse000047,5,26.4548,9.6
22895,L_serine,bmse000048,1,62.8928,12.5
22896,L_serine,bmse000048,2,59.0815,8.62
22897,L_threonine,bmse000049,1,175.6411,1.16
22898,L_threonine,bmse000049,2,68.6408,12.03
22899,L_threonine,bmse000049,3,63.1368,12.5
22900,L_threonine,bmse000049,4,22.1352,12.2
22901,L_tryptophan,bmse000050,1,177.255,2.71
22902,L_tryptophan,bmse000050,2,139.0401,1.59
22903,L_tryptophan,bmse000050,3,129.3512,1.89
22904,L_tryptophan,bmse000050,4,127.7463,10.84
22905,L_tryptophan,bmse000050,5,124.8346,12.27
22906,L_tryptophan,bmse000050,6,122.1638,12.5
22907,L_tryptophan,bmse000050,7,121.1566,12.38
22908,L_tryptophan,bmse000050,8,114.6587,10.23
22909,L_tryptophan,bmse000050,9,110.1782,4.04
22910,L_tryptophan,bmse000050,10,57.7537,11.28
22911,L_tryptophan,bmse000050,11,29.1016,11.57
22912,L_tyrosine,bmse000051,1,184.1279,1.35
22913,L_tyrosine,bmse000051,2,163.7886,1.13
22914,L_tyrosine,bmse000051,3,133.3998,10.61
22915,L_tyrosine,bmse000051,4,128.0459,2.21
22916,L_tyrosine,bmse000051,5,120.2955,12.5
22917,L_tyrosine,bmse000051,6,60.0412,5.12
22918,L_tyrosine,bmse000051,7,41.8233,4.45
22919,L_valine,bmse000052,1,63.0706,10.1
22920,L_valine,bmse000052,2,31.7958,11.73
22921,L_valine,bmse000052,3,20.6547,12.29
22922,L_valine,bmse000052,4,19.3267,12.5
22923,D_mannitol,bmse000099,1,73.4901,12.5
22924,D_mannitol,bmse000099,2,71.9258,8.62
22925,D_mannitol,bmse000099,3,65.9197,11.81
22926,meso_erythritol,bmse000100,1,74.6159,12.5
22927,meso_erythritol,bmse000100,2,65.309,8.37
22928,methyl_oxobutanoic_acid,bmse000101,1,39.7045,5.48
22929,methyl_oxobutanoic_acid,bmse000101,2,19.0607,12.5
22930,muco_inositol,bmse000102,1,75.0137,6.8
22931,muco_inositol,bmse000102,2,72.8728,12.5
22932,myo_inositol,bmse000103,1,77.0519,5.9
22933,myo_inositol,bmse000103,2,75.1054,12.5
22934,myo_inositol,bmse000103,3,74.8867,4.4
22935,myo_inositol,bmse000103,4,73.8316,10.8
22936,NAD,bmse000053,1,167.8653,3.69
22937,NAD,bmse000053,2,158.0181,4.21
22938,NAD,bmse000053,3,155.468,8.5
22939,NAD,bmse000053,4,151.5966,5.8
22940,NAD,bmse000053,5,148.4441,6.77
22941,NAD,bmse000053,6,145.0618,5.64
22942,NAD,bmse000053,7,142.6338,5.11
22943,NAD,bmse000053,8,142.3914,7.13
22944,NAD,bmse000053,9,136.3277,6.28
22945,NAD,bmse000053,10,131.3233,7.72
22946,NAD,bmse000053,11,121.0165,3.15
22947,NAD,bmse000053,12,102.7367,9.04
22948,NAD,bmse000053,13,89.7361,5.45
22949,NAD,bmse000053,14,89.6488,5.15
22950,NAD,bmse000053,15,89.3547,10.54
22951,NAD,bmse000053,16,86.5859,5.25
22952,NAD,bmse000053,17,86.4979,5.24
22953,NAD,bmse000053,18,80.3065,12.5
22954,NAD,bmse000053,19,76.6526,12.24
22955,NAD,bmse000053,20,73.2929,11.75
22956,NAD,bmse000053,21,73.0829,11.48
22957,NAD,bmse000053,22,68.1579,4.36
22958,NAD,bmse000053,23,68.1059,4.27
22959,NAD,bmse000053,24,67.6491,4.7
22960,NAD,bmse000053,25,67.5973,4.24
22961,NADH,bmse000054,1,175.3474,5.48
22962,NADH,bmse000054,2,158.1968,4.24
22963,NADH,bmse000054,3,155.4171,8.83
22964,NADH,bmse000054,4,151.5844,5.71
22965,NADH,bmse000054,5,142.3515,6.8
22966,NADH,bmse000054,6,141.1257,9.71
22967,NADH,bmse000054,7,126.4094,7.79
22968,NADH,bmse000054,8,121.2963,4.16
22969,NADH,bmse000054,9,108.0387,9.52
22970,NADH,bmse000054,10,102.5371,7.01
22971,NADH,bmse000054,11,97.7448,9.22
22972,NADH,bmse000054,12,89.7936,11.06
22973,NADH,bmse000054,13,86.3582,5.51
22974,NADH,bmse000054,14,85.0981,5.6
22975,NADH,bmse000054,15,77.2518,12.23
22976,NADH,bmse000054,16,73.4643,12.14
22977,NADH,bmse000054,17,73.2824,12.5
22978,NADH,bmse000054,18,72.9239,9.04
22979,NADH,bmse000054,19,68.6321,4.65
22980,NADH,bmse000054,20,67.8556,4.52
22981,NADH,bmse000054,21,24.5551,8.23
22982,NADH,bmse000054,22,19.5029,3.45
22983,NADPH,bmse000055,1,175.4549,3.91
22984,NADPH,bmse000055,2,158.2562,4.4
22985,NADPH,bmse000055,3,155.3726,8.4
22986,NADPH,bmse000055,4,151.6612,4.78
22987,NADPH,bmse000055,5,142.7666,6.52
22988,NADPH,bmse000055,6,141.0746,8.37
22989,NADPH,bmse000055,7,126.4637,8.6
22990,NADPH,bmse000055,8,108.0154,8.41
22991,NADPH,bmse000055,9,102.5834,6.37
22992,NADPH,bmse000055,10,97.6847,9.4
22993,NADPH,bmse000055,11,89.5671,4.71
22994,NADPH,bmse000055,12,89.4832,4.7
22995,NADPH,bmse000055,13,85.6232,4.52
22996,NADPH,bmse000055,14,85.136,4.45
22997,NADPH,bmse000055,15,79.2632,4.94
22998,NADPH,bmse000055,16,73.4756,12.5
22999,NADPH,bmse000055,17,73.324,11.5
23000,NADPH,bmse000055,18,72.7309,8.21
23001,NADPH,bmse000055,19,68.5416,4.39
23002,NADPH,bmse000055,20,67.9571,5.25
23003,NADPH,bmse000055,21,24.6213,6.74
23004,niacin,bmse000104,1,176.0593,0.88
23005,niacin,bmse000104,2,153.1473,12.5
23006,niacin,bmse000104,3,151.7346,9.43
23007,niacin,bmse000104,4,140.3918,11.16
23008,niacin,bmse000104,5,135.0395,2.37
23009,niacin,bmse000104,6,126.6461,10.94
23010,nicotine,bmse000105,1,152.9553,11.86
23011,nicotine,bmse000105,2,151.8079,8.39
23012,nicotine,bmse000105,3,139.9786,11.24
23013,nicotine,bmse000105,4,132.2848,2.82
23014,nicotine,bmse000105,5,127.6138,11.08
23015,nicotine,bmse000105,6,72.3903,8.23
23016,nicotine,bmse000105,7,58.7754,9.8
23017,nicotine,bmse000105,8,40.9138,11.41
23018,nicotine,bmse000105,9,33.0757,8.96
23019,nicotine,bmse000105,10,24.2203,12.5
23020,N_acetylneuraminic_acid,bmse000057,1,179.4931,2.99
23021,N_acetylneuraminic_acid,bmse000057,2,177.4691,5.36
23022,N_acetylneuraminic_acid,bmse000057,3,99.1066,6.81
23023,N_acetylneuraminic_acid,bmse000057,4,73.0136,10.35
23024,N_acetylneuraminic_acid,bmse000057,5,72.9084,11.02
23025,N_acetylneuraminic_acid,bmse000057,6,71.2583,9.48
23026,N_acetylneuraminic_acid,bmse000057,7,70.0063,10.08
23027,N_acetylneuraminic_acid,bmse000057,8,66.0063,10.13
23028,N_acetylneuraminic_acid,bmse000057,9,54.9693,12.5
23029,N_acetylneuraminic_acid,bmse000057,10,42.0905,8.84
23030,N_acetylneuraminic_acid,bmse000057,11,24.8195,11.34
23031,N_acetyl_D_mannosamine,bmse000056,1,178.4248,1.93
23032,N_acetyl_D_mannosamine,bmse000056,2,177.4968,2.6
23033,N_acetyl_D_mannosamine,bmse000056,3,95.8209,8.31
23034,N_acetyl_D_mannosamine,bmse000056,4,95.688,9.13
23035,N_acetyl_D_mannosamine,bmse000056,5,79.0399,10.23
23036,N_acetyl_D_mannosamine,bmse000056,6,74.7525,9.08
23037,N_acetyl_D_mannosamine,bmse000056,7,74.6939,8.91
23038,N_acetyl_D_mannosamine,bmse000056,8,71.5593,11.26
23039,N_acetyl_D_mannosamine,bmse000056,9,69.4618,11.11
23040,N_acetyl_D_mannosamine,bmse000056,10,69.1894,8.23
23041,N_acetyl_D_mannosamine,bmse000056,11,63.0714,12.5
23042,N_acetyl_D_mannosamine,bmse000056,12,56.7834,6.76
23043,N_acetyl_D_mannosamine,bmse000056,13,55.9143,11.74
23044,N_acetyl_D_mannosamine,bmse000056,14,24.7467,6.42
23045,N_acetyl_D_mannosamine,bmse000056,15,24.6103,7.83
23046,oxalate,bmse000106,1,176.1386,12.5
23047,O_succinyl_L_homoserine,bmse000058,1,183.8863,2.56
23048,O_succinyl_L_homoserine,bmse000058,2,178.3647,2.14
23049,O_succinyl_L_homoserine,bmse000058,3,176.7702,2.64
23050,O_succinyl_L_homoserine,bmse000058,4,64.4599,9.53
23051,O_succinyl_L_homoserine,bmse000058,5,55.5165,8.79
23052,O_succinyl_L_homoserine,bmse000058,6,35.6935,1.47
23053,O_succinyl_L_homoserine,bmse000058,7,34.6435,11.39
23054,O_succinyl_L_homoserine,bmse000058,8,33.1998,12.5
23055,O_succinyl_L_homoserine,bmse000058,9,32.0477,7.9
23056,phosphoenolpyruvic_acid,bmse000107,1,152.4983,4.37
23057,phosphoenolpyruvic_acid,bmse000107,2,152.4267,2.42
23058,phosphoenolpyruvic_acid,bmse000107,3,102.8677,10.91
23059,phosphoenolpyruvic_acid,bmse000107,4,102.8401,12.5
23060,prephenic_acid,bmse000108,1,134.012,12.19
23061,prephenic_acid,bmse000108,2,130.3553,12.5
23062,prephenic_acid,bmse000108,3,64.0727,7.77
23063,prephenic_acid,bmse000108,4,51.2462,2.5
23064,prephenic_acid,bmse000108,5,50.6545,5.86
23065,putrescine,bmse000109,1,41.551,11.73
23066,putrescine,bmse000109,2,26.5984,12.5
23067,pyridoxal,bmse000110,1,161.5671,1.78
23068,pyridoxal,bmse000110,2,148.0785,2.3
23069,pyridoxal,bmse000110,3,140.9568,3.28
23070,pyridoxal,bmse000110,4,139.5279,4.52
23071,pyridoxal,bmse000110,5,120.0727,6.07
23072,pyridoxal,bmse000110,6,102.0212,10.48
23073,pyridoxal,bmse000110,7,72.5072,12.5
23074,pyridoxal,bmse000110,8,17.5108,7.09
23075,pyridoxal_5_phosphate,bmse000111,1,198.7901,4.06
23076,pyridoxal_5_phosphate,bmse000111,2,154.2739,7.56
23077,pyridoxal_5_phosphate,bmse000111,3,139.0553,2.73
23078,pyridoxal_5_phosphate,bmse000111,4,138.9802,2.7
23079,pyridoxal_5_phosphate,bmse000111,5,128.8539,3.48
23080,pyridoxal_5_phosphate,bmse000111,6,126.7748,3.24
23081,pyridoxal_5_phosphate,bmse000111,7,91.4524,2.95
23082,pyridoxal_5_phosphate,bmse000111,8,64.4322,9.86
23083,pyridoxal_5_phosphate,bmse000111,9,64.3954,7.79
23084,pyridoxal_5_phosphate,bmse000111,10,18.7125,12.5
23085,pyridoxal_5_phosphate,bmse000111,11,17.3618,2.26
23086,pyridoxamine,bmse000130,1,165.5851,1.63
23087,pyridoxamine,bmse000130,2,148.1236,2.38
23088,pyridoxamine,bmse000130,3,138.2661,5.06
23089,pyridoxamine,bmse000130,4,134.7636,2.63
23090,pyridoxamine,bmse000130,5,126.6506,8.52
23091,pyridoxamine,bmse000130,6,61.8257,9.73
23092,pyridoxamine,bmse000130,7,39.2287,12.5
23093,pyridoxamine,bmse000130,8,18.1093,10.27
23094,pyridoxamine_5_phosphate,bmse000131,1,165.6996,3.42
23095,pyridoxamine_5_phosphate,bmse000131,2,147.3396,4.49
23096,pyridoxamine_5_phosphate,bmse000131,3,137.5932,4.37
23097,pyridoxamine_5_phosphate,bmse000131,4,137.5201,3.66
23098,pyridoxamine_5_phosphate,bmse000131,5,135.8735,6.9
23099,pyridoxamine_5_phosphate,bmse000131,6,125.9833,8.38
23100,pyridoxamine_5_phosphate,bmse000131,7,64.3374,8.14
23101,pyridoxamine_5_phosphate,bmse000131,8,64.2962,7.45
23102,pyridoxamine_5_phosphate,bmse000131,9,38.955,12.5
23103,pyridoxamine_5_phosphate,bmse000131,10,17.7372,11.91
23104,scyllo_inositol,bmse000113,1,76.2821,12.5
23105,shikimic_acid,bmse000114,1,178.0757,1.84
23106,shikimic_acid,bmse000114,2,138.7121,3.69
23107,shikimic_acid,bmse000114,3,133.2065,8.63
23108,shikimic_acid,bmse000114,4,74.7462,8.91
23109,shikimic_acid,bmse000114,5,69.5201,11.73
23110,shikimic_acid,bmse000114,6,68.9871,12.5
23111,shikimic_acid,bmse000114,7,35.3685,8.86
23112,D_sorbitol,bmse000115,1,75.6364,11.8
23113,D_sorbitol,bmse000115,2,73.7844,11.91
23114,D_sorbitol,bmse000115,3,73.6628,11.46
23115,D_sorbitol,bmse000115,4,72.3478,12.5
23116,D_sorbitol,bmse000115,5,65.5074,7.86
23117,D_sorbitol,bmse000115,6,65.1126,9.65
23118,spermidine,bmse000116,1,49.7685,12.5
23119,spermidine,bmse000116,2,47.255,9.6
23120,spermidine,bmse000116,3,41.5152,10.94
23121,spermidine,bmse000116,4,39.2998,10.61
23122,spermidine,bmse000116,5,26.64,10.09
23123,spermidine,bmse000116,6,26.5227,9.51
23124,spermidine,bmse000116,7,25.4882,11.59
23125,spermine,bmse000117,1,50.4642,10.16
23126,spermine,bmse000117,2,48.3361,12.5
23127,spermine,bmse000117,3,40.6981,12.1
23128,spermine,bmse000117,4,30.823,7.1
23129,spermine,bmse000117,5,27.6835,10.97
23130,succinic_acid,bmse000118,1,185.1648,1.78
23131,succinic_acid,bmse000118,2,36.8897,12.5
23132,sucrose,bmse000119,1,106.3887,6.15
23133,sucrose,bmse000119,2,94.8829,11.39
23134,sucrose,bmse000119,3,84.0666,11.94
23135,sucrose,bmse000119,4,79.0967,11.54
23136,sucrose,bmse000119,5,76.6892,12.13
23137,sucrose,bmse000119,6,75.2562,11.56
23138,sucrose,bmse000119,7,75.107,12.4
23139,sucrose,bmse000119,8,73.7694,11.94
23140,sucrose,bmse000119,9,71.9114,12.5
23141,sucrose,bmse000119,10,65.0741,11.11
23142,sucrose,bmse000119,11,64.0305,10.38
23143,sucrose,bmse000119,12,62.8059,9.96
23144,S_adenosyl_L_methionine,bmse000059,1,177.2049,1.06
23145,S_adenosyl_L_methionine,bmse000059,2,175.5374,3.57
23146,S_adenosyl_L_methionine,bmse000059,3,158.2573,4.07
23147,S_adenosyl_L_methionine,bmse000059,4,158.1473,1.23
23148,S_adenosyl_L_methionine,bmse000059,5,155.5574,8.68
23149,S_adenosyl_L_methionine,bmse000059,6,155.4871,3.71
23150,S_adenosyl_L_methionine,bmse000059,7,154.9459,1.28
23151,S_adenosyl_L_methionine,bmse000059,8,151.4918,1.4
23152,S_adenosyl_L_methionine,bmse000059,9,151.3094,4.84
23153,S_adenosyl_L_methionine,bmse000059,10,143.3489,7.53
23154,S_adenosyl_L_methionine,bmse000059,11,142.6447,2.96
23155,S_adenosyl_L_methionine,bmse000059,12,121.7408,3.05
23156,S_adenosyl_L_methionine,bmse000059,13,91.8,12.5
23157,S_adenosyl_L_methionine,bmse000059,14,90.1262,1.08
23158,S_adenosyl_L_methionine,bmse000059,15,90.0407,3.67
23159,S_adenosyl_L_methionine,bmse000059,16,85.9474,3.7
23160,S_adenosyl_L_methionine,bmse000059,17,81.4782,2.83
23161,S_adenosyl_L_methionine,bmse000059,18,80.8642,9.06
23162,S_adenosyl_L_methionine,bmse000059,19,76.1774,4.19
23163,S_adenosyl_L_methionine,bmse000059,20,75.6933,3.46
23164,S_adenosyl_L_methionine,bmse000059,21,75.4417,10.55
23165,S_adenosyl_L_methionine,bmse000059,22,75.2896,11.21
23166,S_adenosyl_L_methionine,bmse000059,23,75.2102,3.9
23167,S_adenosyl_L_methionine,bmse000059,24,75.0576,4.66
23168,S_adenosyl_L_methionine,bmse000059,25,61.3914,4.52
23169,S_adenosyl_L_methionine,bmse000059,26,60.181,3.6
23170,S_adenosyl_L_methionine,bmse000059,27,56.1328,4.11
23171,S_adenosyl_L_methionine,bmse000059,28,55.5398,11.64
23172,S_adenosyl_L_methionine,bmse000059,29,55.4732,3.85
23173,S_adenosyl_L_methionine,bmse000059,30,51.6245,1.02
23174,S_adenosyl_L_methionine,bmse000059,31,47.0027,7.3
23175,S_adenosyl_L_methionine,bmse000059,32,41.6503,2.53
23176,S_adenosyl_L_methionine,bmse000059,33,41.5608,8
23177,S_adenosyl_L_methionine,bmse000059,34,39.296,1.04
23178,S_adenosyl_L_methionine,bmse000059,35,38.5747,3.27
23179,S_adenosyl_L_methionine,bmse000059,36,34.9032,4.07
23180,S_adenosyl_L_methionine,bmse000059,37,28.138,8.12
23181,S_adenosyl_L_methionine,bmse000059,38,27.9802,2.58
23182,S_adenosyl_L_methionine,bmse000059,39,26.5384,1.05
23183,S_adenosyl_L_methionine,bmse000059,40,26.4688,3.89
23184,S_adenosyl_L_methionine,bmse000059,41,26.1398,11.37
23185,S_adenosyl_L_methionine,bmse000059,42,19.5416,3.82
23186,S_adenosyl_L_methionine,bmse000059,43,18.0425,2.93
23187,taurine,bmse000120,1,50.2124,12.5
23188,taurine,bmse000120,2,38.0682,11.7
23189,L_threitol,bmse000121,1,74.3047,12.5
23190,L_threitol,bmse000121,2,65.3263,12.42
23191,trans_4_hydroxy_L_proline,bmse000123,1,177.0263,1.29
23192,trans_4_hydroxy_L_proline,bmse000123,2,72.7686,12.34
23193,trans_4_hydroxy_L_proline,bmse000123,3,62.5265,8.41
23194,trans_4_hydroxy_L_proline,bmse000123,4,55.643,12.5
23195,trans_4_hydroxy_L_proline,bmse000123,5,40.1298,9.82
23196,trans_cinnamic_acid,bmse000124,1,143.5556,4.31
23197,trans_cinnamic_acid,bmse000124,2,137.8775,1.34
23198,trans_cinnamic_acid,bmse000124,3,132.3324,6.15
23199,trans_cinnamic_acid,bmse000124,4,131.6902,9.94
23200,trans_cinnamic_acid,bmse000124,5,130.4135,12.5
23201,trans_cinnamic_acid,bmse000124,6,126.8267,3.92
23202,D_trehalose,bmse000125,1,95.9171,12.5
23203,D_trehalose,bmse000125,2,75.2081,11.88
23204,D_trehalose,bmse000125,3,74.8491,10.1
23205,D_trehalose,bmse000125,4,73.7422,9.97
23206,D_trehalose,bmse000125,5,72.3894,11.58
23207,D_trehalose,bmse000125,6,63.2132,8.55
23208,uric_acid,bmse000126,1,167.6653,6.04
23209,uric_acid,bmse000126,2,165.3393,12.5
23210,uric_acid,bmse000126,3,162.2146,6.72
23211,uric_acid,bmse000126,4,156.4958,8.87
23212,uric_acid,bmse000126,5,104.5779,6.55
23213,xanthine,bmse000127,1,163.3303,1.9
23214,xanthine,bmse000127,2,161.9958,1.23
23215,xanthine,bmse000127,3,158.0123,1.54
23216,xanthine,bmse000127,4,142.7225,12.5
23217,xanthine,bmse000127,5,116.2503,1.15
23218,xanthosine,bmse000128,1,163.7475,1.41
23219,xanthosine,bmse000128,2,162.2764,1.3
23220,xanthosine,bmse000128,3,155.8547,2.56
23221,xanthosine,bmse000128,4,140.0607,9.27
23222,xanthosine,bmse000128,5,118.2068,1.28
23223,xanthosine,bmse000128,6,90.6608,11.73
23224,xanthosine,bmse000128,7,88.5324,12.41
23225,xanthosine,bmse000128,8,75.9737,12.5
23226,xanthosine,bmse000128,9,73.5577,11.03
23227,xanthosine,bmse000128,10,64.3556,8.81
23228,xylitol,bmse000129,1,74.6275,11.33
23229,xylitol,bmse000129,2,73.4743,6.7
23230,xylitol,bmse000129,3,65.3143,12.5
23231,tyramine,bmse000243,1,157.2984,1.41
23232,tyramine,bmse000243,2,132.9956,12.5
23233,tyramine,bmse000243,3,131.1649,2.03
23234,tyramine,bmse000243,4,118.5125,12.18
23235,tyramine,bmse000243,5,43.4518,5.34
23236,tyramine,bmse000243,6,34.6329,6.06
23237,L_carnosine,bmse000246,1,180.2008,3.84
23238,L_carnosine,bmse000246,2,174.3323,4.86
23239,L_carnosine,bmse000246,3,137.5197,9.53
23240,L_carnosine,bmse000246,4,134.6631,4.69
23241,L_carnosine,bmse000246,5,119.8491,10.48
23242,L_carnosine,bmse000246,6,57.5784,11.65
23243,L_carnosine,bmse000246,7,38.3703,11.44
23244,L_carnosine,bmse000246,8,34.7671,12.5
23245,L_carnosine,bmse000246,9,30.9947,9.98
23246,glycolate,bmse000245,1,182.6562,5.25
23247,glycolate,bmse000245,2,63.9098,12.5
23248,1_3_dimethylurea,bmse000248,1,29.1399,12.5
23249,D_glucosamine,bmse000247,1,96.7337,8.51
23250,D_glucosamine,bmse000247,2,92.4167,12.41
23251,D_glucosamine,bmse000247,3,78.843,9.89
23252,D_glucosamine,bmse000247,4,75.8685,8.3
23253,D_glucosamine,bmse000247,5,74.3489,12.5
23254,D_glucosamine,bmse000247,6,72.9419,11.22
23255,D_glucosamine,bmse000247,7,72.4037,9.8
23256,D_glucosamine,bmse000247,8,72.3301,12.04
23257,D_glucosamine,bmse000247,9,63.2894,7.62
23258,D_glucosamine,bmse000247,10,63.0782,11.08
23259,D_glucosamine,bmse000247,11,59.6847,8.44
23260,D_glucosamine,bmse000247,12,57.1428,11.73
23261,isethionic_acid,bmse000242,1,59.6397,12.02
23262,isethionic_acid,bmse000242,2,55.5295,12.5
23263,N_N_dimethylglycine,bmse000241,1,62.5717,6.55
23264,N_N_dimethylglycine,bmse000241,2,46.2286,12.5
23265,dihydroxyacetone,bmse000144,1,214.7833,3.78
23266,dihydroxyacetone,bmse000144,2,97.773,1.6
23267,dihydroxyacetone,bmse000144,3,66.2429,12.5
23268,N_acetyl_L_glutamine,bmse000145,1,181.3622,2.37
23269,N_acetyl_L_glutamine,bmse000145,2,181.1277,3.44
23270,N_acetyl_L_glutamine,bmse000145,3,176.3862,3.32
23271,N_acetyl_L_glutamine,bmse000145,4,57.3658,12.5
23272,N_acetyl_L_glutamine,bmse000145,5,34.4405,9.75
23273,N_acetyl_L_glutamine,bmse000145,6,30.4549,10.18
23274,N_acetyl_L_glutamine,bmse000145,7,24.6247,9.17
23275,ADA,bmse000146,1,180.0279,1.66
23276,ADA,bmse000146,2,60.0622,12.5
23277,ADA,bmse000146,3,59.955,1.44
23278,4_aminoantipyrine,bmse000147,1,144.7673,1.72
23279,4_aminoantipyrine,bmse000147,2,135.763,1.74
23280,4_aminoantipyrine,bmse000147,3,132.3952,12.5
23281,4_aminoantipyrine,bmse000147,4,131.8174,5.85
23282,4_aminoantipyrine,bmse000147,5,129.3212,12.35
23283,4_aminoantipyrine,bmse000147,6,37.2322,4.81
23284,4_aminoantipyrine,bmse000147,7,11.7408,4.42
23285,acetylcarnitine,bmse000142,1,179.354,4.03
23286,acetylcarnitine,bmse000142,2,175.4615,4.06
23287,acetylcarnitine,bmse000142,3,70.835,4.53
23288,acetylcarnitine,bmse000142,4,69.5734,12.5
23289,acetylcarnitine,bmse000142,5,56.5103,12.2
23290,acetylcarnitine,bmse000142,6,42.9071,9.73
23291,acetylcarnitine,bmse000142,7,23.3168,9.11
23292,5_acetylamido_2_chloroaniline,bmse000143,1,139.2064,3.06
23293,5_acetylamido_2_chloroaniline,bmse000143,2,132.3826,12.5
23294,5_acetylamido_2_chloroaniline,bmse000143,3,116.2078,11.5
23295,5_acetylamido_2_chloroaniline,bmse000143,4,112.9825,11.85
23296,5_acetylamido_2_chloroaniline,bmse000143,5,25.522,8.76
23297,uracil,bmse000187,1,170.2202,1.35
23298,uracil,bmse000187,2,146.2032,10.52
23299,uracil,bmse000187,3,103.7407,12.5
23300,cytidine,bmse000190,1,168.8862,2.92
23301,cytidine,bmse000190,2,160.3399,2.39
23302,cytidine,bmse000190,3,144.3268,8.93
23303,cytidine,bmse000190,4,98.9421,9.02
23304,cytidine,bmse000190,5,92.9764,11.59
23305,cytidine,bmse000190,6,86.4726,11.93
23306,cytidine,bmse000190,7,76.6665,12.26
23307,cytidine,bmse000190,8,71.9801,12.5
23308,cytidine,bmse000190,9,63.4255,9.89
23309,propionic_acid,bmse000179,1,187.7472,2.27
23310,propionic_acid,bmse000179,2,33.4143,12.5
23311,propionic_acid,bmse000179,3,12.8911,11.53
23312,cytosine,bmse000180,1,170.1095,1.09
23313,cytosine,bmse000180,2,145.8461,10.28
23314,cytosine,bmse000180,3,97.8181,12.5
23315,3_hydroxybutyrate,bmse000161,1,183.1934,2.18
23316,3_hydroxybutyrate,bmse000161,2,68.3994,9.53
23317,3_hydroxybutyrate,bmse000161,3,49.2195,12.5
23318,3_hydroxybutyrate,bmse000161,4,24.4317,11.28
23319,sarcosine,bmse000160,1,174.1787,1.69
23320,sarcosine,bmse000160,2,53.5151,12.5
23321,sarcosine,bmse000160,3,35.3495,10.56
23322,beta_alanine,bmse000159,1,181.1398,1.61
23323,beta_alanine,bmse000159,2,39.2339,9.51
23324,beta_alanine,bmse000159,3,36.2855,12.5
23325,uridine,bmse000158,1,169.0394,2.54
23326,uridine,bmse000158,2,154.4569,2.08
23327,uridine,bmse000158,3,144.529,8.58
23328,uridine,bmse000158,4,104.9743,9.81
23329,uridine,bmse000158,5,92.0363,11.1
23330,uridine,bmse000158,6,86.9005,11.88
23331,uridine,bmse000158,7,76.3651,11.81
23332,uridine,bmse000158,8,72.0985,12.5
23333,uridine,bmse000158,9,63.4211,9.74
23334,N_acetyl_L_alanine,bmse000157,1,183.142,2.18
23335,N_acetyl_L_alanine,bmse000157,2,176.0277,2.41
23336,N_acetyl_L_alanine,bmse000157,3,53.6895,12.5
23337,N_acetyl_L_alanine,bmse000157,4,24.5618,8.98
23338,N_acetyl_L_alanine,bmse000157,5,20.0042,11.11
23339,trimethyl_phosphonoacetate,bmse000156,1,56.6257,8.02
23340,trimethyl_phosphonoacetate,bmse000156,2,56.5607,8.02
23341,trimethyl_phosphonoacetate,bmse000156,3,55.9903,12.5
23342,creatinine,bmse000155,1,191.713,2.26
23343,creatinine,bmse000155,2,59.1239,12.5
23344,creatinine,bmse000155,3,58.8527,2.53
23345,creatinine,bmse000155,4,58.6295,1.96
23346,creatinine,bmse000155,5,32.9001,9.73
23347,4_2_aminoethyl_morpholine,bmse000154,1,68.8872,12.21
23348,4_2_aminoethyl_morpholine,bmse000154,2,56.9694,6.45
23349,4_2_aminoethyl_morpholine,bmse000154,3,55.1945,12.5
23350,4_2_aminoethyl_morpholine,bmse000154,4,38.3707,5.31
23351,L_methionine_methylsulfonium_iodide,bmse000153,1,176.1278,2.46
23352,L_methionine_methylsulfonium_iodide,bmse000153,2,55.6328,12.37
23353,L_methionine_methylsulfonium_iodide,bmse000153,3,42.2714,10.53
23354,L_methionine_methylsulfonium_iodide,bmse000153,4,28.1127,10.06
23355,L_methionine_methylsulfonium_iodide,bmse000153,5,27.4753,11.87
23356,L_methionine_methylsulfonium_iodide,bmse000153,6,27.4428,12.5
23357,trigonelline,bmse000152,1,170.5429,1.63
23358,trigonelline,bmse000152,2,148.7294,3.53
23359,trigonelline,bmse000152,3,148.5432,3.12
23360,trigonelline,bmse000152,4,147.4509,9.81
23361,trigonelline,bmse000152,5,139.591,3.58
23362,trigonelline,bmse000152,6,130.3808,12.5
23363,trigonelline,bmse000152,7,50.9868,3.8
23364,L_kynurenine,bmse000172,1,202.7838,4.18
23365,L_kynurenine,bmse000172,2,176.9655,3.82
23366,L_kynurenine,bmse000172,3,153.0281,3.8
23367,L_kynurenine,bmse000172,4,138.3201,10.63
23368,L_kynurenine,bmse000172,5,134.0077,10.47
23369,L_kynurenine,bmse000172,6,120.7487,12.5
23370,L_kynurenine,bmse000172,7,120.1347,3.19
23371,L_kynurenine,bmse000172,8,119.5469,11.71
23372,L_kynurenine,bmse000172,9,53.4373,9.6
23373,L_kynurenine,bmse000172,10,53.3893,1.75
23374,L_kynurenine,bmse000172,11,41.6724,9.4
23375,4_hydroxyphenethyl_alcohol,bmse000173,1,156.5231,1.3
23376,4_hydroxyphenethyl_alcohol,bmse000173,2,133.6531,2.03
23377,4_hydroxyphenethyl_alcohol,bmse000173,3,133.0108,12.05
23378,4_hydroxyphenethyl_alcohol,bmse000173,4,118.0973,12.5
23379,4_hydroxyphenethyl_alcohol,bmse000173,5,65.4628,5.4
23380,4_hydroxyphenethyl_alcohol,bmse000173,6,39.6054,5.27
23381,L_glutathione_oxidized,bmse000170,1,179.0431,5.08
23382,L_glutathione_oxidized,bmse000170,2,177.7295,7.27
23383,L_glutathione_oxidized,bmse000170,3,176.8436,5.71
23384,L_glutathione_oxidized,bmse000170,4,174.576,7.14
23385,L_glutathione_oxidized,bmse000170,5,56.7983,12.5
23386,L_glutathione_oxidized,bmse000170,6,55.2962,6.93
23387,L_glutathione_oxidized,bmse000170,7,46.1769,10
23388,L_glutathione_oxidized,bmse000170,8,41.3939,5.3
23389,L_glutathione_oxidized,bmse000170,9,34.0976,8.71
23390,L_glutathione_oxidized,bmse000170,10,28.9834,9.22
23391,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,1,137.9087,2.24
23392,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,2,137.8673,2.37
23393,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,3,131.376,12.5
23394,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,4,131.3613,12.49
23395,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,5,130.699,5.71
23396,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,6,130.6797,5.71
23397,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,7,130.3647,10.88
23398,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,8,130.3201,11.19
23399,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,9,58.3213,5.52
23400,1_amino_1_phenylmethyl_phosphonic_acid,bmse000171,10,57.0571,5.41
23401,2_amino_5_ethyl_1_3_4_thiadiazole,bmse000176,1,168.4472,1.23
23402,2_amino_5_ethyl_1_3_4_thiadiazole,bmse000176,2,25.8692,12.5
23403,2_amino_5_ethyl_1_3_4_thiadiazole,bmse000176,3,15.8228,11.49
23404,indole_3_acetic_acid,bmse000177,1,184.4014,2.14
23405,indole_3_acetic_acid,bmse000177,2,138.8639,1.78
23406,indole_3_acetic_acid,bmse000177,3,129.8341,1.84
23407,indole_3_acetic_acid,bmse000177,4,126.7302,9.37
23408,indole_3_acetic_acid,bmse000177,5,124.4124,12.5
23409,indole_3_acetic_acid,bmse000177,6,121.7961,11.6
23410,indole_3_acetic_acid,bmse000177,7,121.3961,11.96
23411,indole_3_acetic_acid,bmse000177,8,114.4077,11.75
23412,indole_3_acetic_acid,bmse000177,9,113.0393,2.26
23413,indole_3_acetic_acid,bmse000177,10,36.6627,11.8
23414,5_acetylamino_2_nitrobenzoic_acid,bmse000174,1,177.1121,2.86
23415,5_acetylamino_2_nitrobenzoic_acid,bmse000174,2,175.8429,2.97
23416,5_acetylamino_2_nitrobenzoic_acid,bmse000174,3,146.1205,4.91
23417,5_acetylamino_2_nitrobenzoic_acid,bmse000174,4,142.1751,2.25
23418,5_acetylamino_2_nitrobenzoic_acid,bmse000174,5,140.3992,5.19
23419,5_acetylamino_2_nitrobenzoic_acid,bmse000174,6,135.1671,1.17
23420,5_acetylamino_2_nitrobenzoic_acid,bmse000174,7,128.5755,12.5
23421,5_acetylamino_2_nitrobenzoic_acid,bmse000174,8,122.2003,7.85
23422,5_acetylamino_2_nitrobenzoic_acid,bmse000174,9,120.5307,8.5
23423,5_acetylamino_2_nitrobenzoic_acid,bmse000174,10,26.0734,7.9
23424,inosine_5_monophosphate,bmse000175,1,161.425,3.75
23425,inosine_5_monophosphate,bmse000175,2,151.4802,4.81
23426,inosine_5_monophosphate,bmse000175,3,149.0993,9.26
23427,inosine_5_monophosphate,bmse000175,4,142.6513,8.28
23428,inosine_5_monophosphate,bmse000175,5,126.224,3.55
23429,inosine_5_monophosphate,bmse000175,6,90.0513,11.57
23430,inosine_5_monophosphate,bmse000175,7,87.5897,6.17
23431,inosine_5_monophosphate,bmse000175,8,87.5029,6.25
23432,inosine_5_monophosphate,bmse000175,9,77.4723,12.43
23433,inosine_5_monophosphate,bmse000175,10,73.3415,12.5
23434,inosine_5_monophosphate,bmse000175,11,66.1817,4.69
23435,inosine_5_monophosphate,bmse000175,12,66.1371,4.9
23436,acetylcholine,bmse000168,1,175.9351,1.7
23437,acetylcholine,bmse000168,2,67.2352,3.17
23438,acetylcholine,bmse000168,3,67.2022,3.69
23439,acetylcholine,bmse000168,4,67.1693,3.21
23440,acetylcholine,bmse000168,5,61.0489,9.91
23441,acetylcholine,bmse000168,6,56.5037,10.75
23442,acetylcholine,bmse000168,7,56.4653,12.5
23443,acetylcholine,bmse000168,8,56.4269,11.09
23444,acetylcholine,bmse000168,9,22.907,5.01
23445,L_selenomethionine,bmse000169,1,177.0007,2.6
23446,L_selenomethionine,bmse000169,2,57.4374,11.47
23447,L_selenomethionine,bmse000169,3,33.6291,11.68
23448,L_selenomethionine,bmse000169,4,21.9577,12.5
23449,L_selenomethionine,bmse000169,5,5.9908,6.84
23450,L_carnitine,bmse000211,1,180.7932,2.55
23451,L_carnitine,bmse000211,2,72.8484,3.55
23452,L_carnitine,bmse000211,3,72.8194,4.35
23453,L_carnitine,bmse000211,4,72.7905,3.77
23454,L_carnitine,bmse000211,5,66.787,9.83
23455,L_carnitine,bmse000211,6,56.8352,10.16
23456,L_carnitine,bmse000211,7,56.7971,12.5
23457,L_carnitine,bmse000211,8,56.7587,10.72
23458,L_carnitine,bmse000211,9,45.6836,6.68
23459,2_deoxyguanosine_5_triphosphate,bmse000210,1,161.5994,4.1
23460,2_deoxyguanosine_5_triphosphate,bmse000210,2,156.5483,6.62
23461,2_deoxyguanosine_5_triphosphate,bmse000210,3,153.9201,3.76
23462,2_deoxyguanosine_5_triphosphate,bmse000210,4,140.177,4.97
23463,2_deoxyguanosine_5_triphosphate,bmse000210,5,118.7094,3.56
23464,2_deoxyguanosine_5_triphosphate,bmse000210,6,88.3356,4.95
23465,2_deoxyguanosine_5_triphosphate,bmse000210,7,88.2497,5.03
23466,2_deoxyguanosine_5_triphosphate,bmse000210,8,86.1217,10.42
23467,2_deoxyguanosine_5_triphosphate,bmse000210,9,85.9663,1.24
23468,2_deoxyguanosine_5_triphosphate,bmse000210,10,73.5912,12.5
23469,2_deoxyguanosine_5_triphosphate,bmse000210,11,73.4257,1.36
23470,2_deoxyguanosine_5_triphosphate,bmse000210,12,68.0836,4.3
23471,2_deoxyguanosine_5_triphosphate,bmse000210,13,68.0298,4.01
23472,2_deoxyguanosine_5_triphosphate,bmse000210,14,60.1564,2.92
23473,2_deoxyguanosine_5_triphosphate,bmse000210,15,41.4696,9.7
23474,2_deoxyguanosine_5_triphosphate,bmse000210,16,19.5226,3.19
23475,L_glutathione_reduced,bmse000185,1,179.0844,3.34
23476,L_glutathione_reduced,bmse000185,2,177.7381,6.24
23477,L_glutathione_reduced,bmse000185,3,176.8762,4.09
23478,L_glutathione_reduced,bmse000185,4,174.517,4.49
23479,L_glutathione_reduced,bmse000185,5,58.485,9.28
23480,L_glutathione_reduced,bmse000185,6,56.8252,12.5
23481,L_glutathione_reduced,bmse000185,7,46.0594,11.98
23482,L_glutathione_reduced,bmse000185,8,34.0617,10.25
23483,L_glutathione_reduced,bmse000185,9,28.9279,10.05
23484,L_glutathione_reduced,bmse000185,10,28.2991,8.79
23485,L-ascorbate,bmse000182,1,180.3168,1.43
23486,L-ascorbate,bmse000182,2,178.4832,2.74
23487,L-ascorbate,bmse000182,3,115.802,1.21
23488,L-ascorbate,bmse000182,4,81.1004,12.5
23489,L-ascorbate,bmse000182,5,72.2534,11.82
23490,L-ascorbate,bmse000182,6,65.2522,10.99
23491,glycerol,bmse000184,1,74.7687,5.34
23492,glycerol,bmse000184,2,65.1855,12.5
23493,succinic_acid,bmse000183,1,185.1723,12.5
23494,diethyl_oxalacetate,bmse000148,1,175.4103,2.81
23495,diethyl_oxalacetate,bmse000148,2,174.3091,2.64
23496,diethyl_oxalacetate,bmse000148,3,173.4326,3.11
23497,diethyl_oxalacetate,bmse000148,4,168.1048,3.57
23498,diethyl_oxalacetate,bmse000148,5,163.0751,2.84
23499,diethyl_oxalacetate,bmse000148,6,107.9727,2.93
23500,diethyl_oxalacetate,bmse000148,7,66.4032,12.5
23501,diethyl_oxalacetate,bmse000148,8,64.8073,11.65
23502,diethyl_oxalacetate,bmse000148,9,63.2252,12.35
23503,diethyl_oxalacetate,bmse000148,10,60.1425,6.53
23504,diethyl_oxalacetate,bmse000148,11,19.5054,7.69
23505,diethyl_oxalacetate,bmse000148,12,16.4349,10.31
23506,diethyl_oxalacetate,bmse000148,13,16.0264,10.85
23507,diethyl_oxalacetate,bmse000148,14,15.8307,11.05
23508,diethyl_oxalacetate,bmse000148,15,8.3719,1.46
23509,methyl_4_aminobutyrate,bmse000249,1,178.332,2.3
23510,methyl_4_aminobutyrate,bmse000249,2,55.0318,9.91
23511,methyl_4_aminobutyrate,bmse000249,3,41.3931,9.31
23512,methyl_4_aminobutyrate,bmse000249,4,33.2371,12.5
23513,methyl_4_aminobutyrate,bmse000249,5,24.7364,10.01
23514,acetic_acid,bmse000191,1,25.9921,12.5
23515,DL_alpha_glycerol_phosphate,bmse000193,1,74.017,6.6
23516,DL_alpha_glycerol_phosphate,bmse000193,2,73.9509,6.61
23517,DL_alpha_glycerol_phosphate,bmse000193,3,67.5764,6.42
23518,DL_alpha_glycerol_phosphate,bmse000193,4,67.5279,6.33
23519,DL_alpha_glycerol_phosphate,bmse000193,5,64.9909,12.5
23520,L_arginine_L_glutamate,bmse000194,1,184.0271,2.62
23521,L_arginine_L_glutamate,bmse000194,2,177.3004,2.69
23522,L_arginine_L_glutamate,bmse000194,3,177.2486,3.51
23523,L_arginine_L_glutamate,bmse000194,4,159.5217,1.58
23524,L_arginine_L_glutamate,bmse000194,5,57.3276,11.34
23525,L_arginine_L_glutamate,bmse000194,6,56.9877,12.33
23526,L_arginine_L_glutamate,bmse000194,7,43.187,10.69
23527,L_arginine_L_glutamate,bmse000194,8,36.1773,12.5
23528,L_arginine_L_glutamate,bmse000194,9,30.2821,11.31
23529,L_arginine_L_glutamate,bmse000194,10,29.6813,11.66
23530,L_arginine_L_glutamate,bmse000194,11,26.565,9.36
23531,N_alpha_acetyl_DL_ornithine,bmse000195,1,181.278,2.84
23532,N_alpha_acetyl_DL_ornithine,bmse000195,2,176.3942,3.3
23533,N_alpha_acetyl_DL_ornithine,bmse000195,3,57.2647,12.5
23534,N_alpha_acetyl_DL_ornithine,bmse000195,4,41.7026,11.36
23535,N_alpha_acetyl_DL_ornithine,bmse000195,5,31.2562,11.58
23536,N_alpha_acetyl_DL_ornithine,bmse000195,6,26.1175,10.85
23537,N_alpha_acetyl_DL_ornithine,bmse000195,7,24.6039,9.43
23538,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,1,177.1802,4.22
23539,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,2,100.7816,12.14
23540,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,3,74.3693,12.5
23541,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,4,73.8173,11.87
23542,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,5,72.6604,11.86
23543,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,6,63.2442,9.78
23544,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,7,57.84,10.7
23545,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,8,56.3295,11.36
23546,methyl_N_acetyl_alpha_D_glucosaminide,bmse000196,9,24.5939,9.03
23547,N_acetyl_D_glucosamine_1_phosphate,bmse000197,1,177.4262,6.89
24140,FMN,bmse000257,6,136.6282,6.86
23548,N_acetyl_D_glucosamine_1_phosphate,bmse000197,2,95.5064,6.59
23549,N_acetyl_D_glucosamine_1_phosphate,bmse000197,3,95.4519,6.61
23550,N_acetyl_D_glucosamine_1_phosphate,bmse000197,4,74.8112,12.48
23551,N_acetyl_D_glucosamine_1_phosphate,bmse000197,5,74.1248,11.53
23552,N_acetyl_D_glucosamine_1_phosphate,bmse000197,6,72.717,12.5
23553,N_acetyl_D_glucosamine_1_phosphate,bmse000197,7,63.3991,10.48
23554,N_acetyl_D_glucosamine_1_phosphate,bmse000197,8,60.1385,1.19
23555,N_acetyl_D_glucosamine_1_phosphate,bmse000197,9,56.8941,6.31
23556,N_acetyl_D_glucosamine_1_phosphate,bmse000197,10,56.82,5.92
23557,N_acetyl_D_glucosamine_1_phosphate,bmse000197,11,24.8547,11.82
23558,N_acetyl_D_glucosamine_1_phosphate,bmse000197,12,19.5064,1.35
23559,6_phosphogluconic_acid,bmse000198,1,181.6058,3.57
23560,6_phosphogluconic_acid,bmse000198,2,76.871,10.24
23561,6_phosphogluconic_acid,bmse000198,3,74.5728,12.34
23562,6_phosphogluconic_acid,bmse000198,4,73.5923,12.5
23563,6_phosphogluconic_acid,bmse000198,5,73.3427,6.13
23564,6_phosphogluconic_acid,bmse000198,6,73.2817,6
23565,6_phosphogluconic_acid,bmse000198,7,67.8378,5.3
23566,6_phosphogluconic_acid,bmse000198,8,67.7897,5.02
23567,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,1,177.4856,7.09
23568,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,2,169.018,6.26
23569,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,3,154.5678,4.71
23570,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,4,144.3458,8.41
23571,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,5,105.3664,9.76
23572,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,6,97.2217,5.52
23573,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,7,97.1586,5.3
23574,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,8,91.2324,10.4
23575,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,9,85.9265,5.45
23576,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,10,85.8356,5.37
23577,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,11,76.5038,12.5
23578,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,12,75.7265,10.47
23579,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,13,73.618,9.4
23580,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,14,72.3363,12.03
23581,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,15,72.1894,10.68
23582,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,16,67.7104,4.06
23583,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,17,67.6547,4.21
23584,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,18,63.011,8.29
23585,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,19,56.4123,4.85
23586,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,20,56.3279,4.86
23587,uridine_5_diphospho_N_acetlyglucosamine,bmse000188,21,24.8017,11.06
23588,D_glucosamine_6_phosphate,bmse000189,1,96.7641,3.96
23589,D_glucosamine_6_phosphate,bmse000189,2,92.5468,9.11
23590,D_glucosamine_6_phosphate,bmse000189,3,78.573,7.72
23591,D_glucosamine_6_phosphate,bmse000189,4,78.5029,8.09
23592,D_glucosamine_6_phosphate,bmse000189,5,75.3,3.82
23593,D_glucosamine_6_phosphate,bmse000189,6,74.241,8.9
23594,D_glucosamine_6_phosphate,bmse000189,7,74.1735,8.79
23595,D_glucosamine_6_phosphate,bmse000189,8,72.61,7.6
23596,D_glucosamine_6_phosphate,bmse000189,9,72.216,8.01
23597,D_glucosamine_6_phosphate,bmse000189,10,72.0861,11.81
23598,D_glucosamine_6_phosphate,bmse000189,11,65.6945,5.67
23599,D_glucosamine_6_phosphate,bmse000189,12,65.5318,8.2
23600,D_glucosamine_6_phosphate,bmse000189,13,59.9922,8.37
23601,D_glucosamine_6_phosphate,bmse000189,14,57.442,12.5
23602,N_acetyl_D_glucosamine_6_phosphate,bmse000205,1,177.6459,3.99
23603,N_acetyl_D_glucosamine_6_phosphate,bmse000205,2,177.3558,6.21
23604,N_acetyl_D_glucosamine_6_phosphate,bmse000205,3,97.9785,9.64
23605,N_acetyl_D_glucosamine_6_phosphate,bmse000205,4,93.8355,12.5
23606,N_acetyl_D_glucosamine_6_phosphate,bmse000205,5,78.3788,4.55
23607,N_acetyl_D_glucosamine_6_phosphate,bmse000205,6,78.3082,5
23608,N_acetyl_D_glucosamine_6_phosphate,bmse000205,7,76.3335,8.77
23609,N_acetyl_D_glucosamine_6_phosphate,bmse000205,8,74.1312,5.77
23610,N_acetyl_D_glucosamine_6_phosphate,bmse000205,9,74.0636,5.71
23611,N_acetyl_D_glucosamine_6_phosphate,bmse000205,10,73.273,9.62
23612,N_acetyl_D_glucosamine_6_phosphate,bmse000205,11,72.5985,6.43
23613,N_acetyl_D_glucosamine_6_phosphate,bmse000205,12,72.4066,4.3
23614,N_acetyl_D_glucosamine_6_phosphate,bmse000205,13,65.8183,6.34
23615,N_acetyl_D_glucosamine_6_phosphate,bmse000205,14,59.7314,6.92
23616,N_acetyl_D_glucosamine_6_phosphate,bmse000205,15,57.09,11.32
23617,N_acetyl_D_glucosamine_6_phosphate,bmse000205,16,25.09,7.17
23618,N_acetyl_D_glucosamine_6_phosphate,bmse000205,17,24.8284,8.82
23619,N_acetyl_D_glucosamine_6_phosphate,bmse000205,18,24.6366,2.13
23620,N_acetyl_D_glucosamine_6_phosphate,bmse000205,19,8.3826,2.3
23621,formate,bmse000203,1,173.8915,12.5
23622,HEPES,bmse000202,1,60.8048,5.44
23623,HEPES,bmse000202,2,58.5772,7.51
23624,HEPES,bmse000202,3,54.5149,8.11
23625,HEPES,bmse000202,4,54.0844,12.5
23626,HEPES,bmse000202,5,52.383,11.07
23627,HEPES,bmse000202,6,50.0053,7.83
23628,D_citrulline,bmse000209,1,177.3935,5.6
23629,D_citrulline,bmse000209,2,164.2858,1.35
23630,D_citrulline,bmse000209,3,57.1942,10.87
23631,D_citrulline,bmse000209,4,41.9172,1.9
23632,D_citrulline,bmse000209,5,30.442,12.5
23633,D_citrulline,bmse000209,6,27.6603,6.22
23634,tryptamine,bmse000207,1,139.1467,1.96
23635,tryptamine,bmse000207,2,129.1548,2.05
23636,tryptamine,bmse000207,3,127.0515,9.42
23637,tryptamine,bmse000207,4,124.8771,12.23
23638,tryptamine,bmse000207,5,122.1292,11.7
23639,tryptamine,bmse000207,6,121.0332,11.62
23640,tryptamine,bmse000207,7,114.7782,11.66
23641,tryptamine,bmse000207,8,111.7871,2.5
23642,tryptamine,bmse000207,9,42.4461,10.28
23643,tryptamine,bmse000207,10,25.3872,12.5
23644,caffeine,bmse000206,1,158.3677,2.3
23645,caffeine,bmse000206,2,154.8444,2.1
23646,caffeine,bmse000206,3,150.6943,2.53
23647,caffeine,bmse000206,4,146.1726,12.5
23648,caffeine,bmse000206,5,109.992,1.93
23649,caffeine,bmse000206,6,36.1671,12
23650,caffeine,bmse000206,7,32.5176,11.72
23651,caffeine,bmse000206,8,30.6092,12.15
23652,DL_serine,bmse000222,1,175.1858,1.49
23653,DL_serine,bmse000222,2,62.8818,12.5
23654,DL_serine,bmse000222,3,59.0696,9.18
23655,kanamycin,bmse000201,1,103.0882,11.25
23656,kanamycin,bmse000201,2,99.3708,11.19
23657,kanamycin,bmse000201,3,87.4547,11.03
23658,kanamycin,bmse000201,4,82.3518,10.12
23659,kanamycin,bmse000201,5,76.1335,11.05
23660,kanamycin,bmse000201,6,75.2746,11.27
23661,kanamycin,bmse000201,7,74.8051,11.96
23662,kanamycin,bmse000201,8,73.8216,11.92
23663,kanamycin,bmse000201,9,73.7132,12.5
23664,kanamycin,bmse000201,10,71.3274,11.8
23665,kanamycin,bmse000201,11,71.2135,10.89
23666,kanamycin,bmse000201,12,68.4669,11.25
23667,kanamycin,bmse000201,13,62.5738,8.79
23668,kanamycin,bmse000201,14,57.6876,10.31
23669,kanamycin,bmse000201,15,52.8142,10.87
23670,kanamycin,bmse000201,16,50.8624,10.67
23671,kanamycin,bmse000201,17,43.1772,9.79
23672,kanamycin,bmse000201,18,32.4006,6.43
23673,D_galacturonic_acid,bmse000216,1,178.7328,1.92
23674,D_galacturonic_acid,bmse000216,2,177.8683,2.95
23675,D_galacturonic_acid,bmse000216,3,103.6266,1.14
23676,D_galacturonic_acid,bmse000216,4,98.6973,11.64
23677,D_galacturonic_acid,bmse000216,5,94.8821,8.1
23678,D_galacturonic_acid,bmse000216,6,86.1096,1.16
23679,D_galacturonic_acid,bmse000216,7,83.8927,1.25
23680,D_galacturonic_acid,bmse000216,8,78.2191,12.5
23681,D_galacturonic_acid,bmse000216,9,75.5921,12.15
23682,D_galacturonic_acid,bmse000216,10,74.2733,11.54
23683,D_galacturonic_acid,bmse000216,11,74.0687,8.3
23684,D_galacturonic_acid,bmse000216,12,73.5175,7.92
23685,D_galacturonic_acid,bmse000216,13,73.4128,1.2
23686,D_galacturonic_acid,bmse000216,14,73.0403,11.9
23687,D_galacturonic_acid,bmse000216,15,72.0425,8.11
23688,D_galacturonic_acid,bmse000216,16,70.7295,8.19
23689,melibiose,bmse000215,1,100.9074,4.94
23690,melibiose,bmse000215,2,100.8624,8.18
23691,melibiose,bmse000215,3,98.7735,7.77
23692,melibiose,bmse000215,4,94.8936,4.8
23693,melibiose,bmse000215,5,78.5818,7.92
23694,melibiose,bmse000215,6,77.0481,7.86
23695,melibiose,bmse000215,7,76.7432,7.91
23696,melibiose,bmse000215,8,75.641,4.51
23697,melibiose,bmse000215,9,74.115,4.66
23698,melibiose,bmse000215,10,73.6521,8.63
23699,melibiose,bmse000215,11,72.7897,4.38
23700,melibiose,bmse000215,12,72.2675,4.58
23701,melibiose,bmse000215,13,72.1681,11.13
23702,melibiose,bmse000215,14,72.1168,8.41
23703,melibiose,bmse000215,15,71.8969,12.5
23704,melibiose,bmse000215,16,71.1809,5.01
23705,melibiose,bmse000215,17,71.1499,8
23706,melibiose,bmse000215,18,68.5997,3.4
23707,melibiose,bmse000215,19,68.5048,5.74
23708,melibiose,bmse000215,20,63.7993,7.48
23709,raffinose,bmse000221,1,106.4984,12
23710,raffinose,bmse000221,2,101.1619,11.75
23711,raffinose,bmse000221,3,94.8107,10.5
23712,raffinose,bmse000221,4,84.0386,10.37
23713,raffinose,bmse000221,5,78.9908,10.66
23714,raffinose,bmse000221,6,76.6708,10.74
23715,raffinose,bmse000221,7,75.3481,10.62
23716,raffinose,bmse000221,8,74.0893,10.03
23717,raffinose,bmse000221,9,73.7298,10.76
23718,raffinose,bmse000221,10,73.6491,10.76
23719,raffinose,bmse000221,11,72.1375,11.45
23720,raffinose,bmse000221,12,72.0811,10.61
23721,raffinose,bmse000221,13,71.8977,12.5
23722,raffinose,bmse000221,14,71.1782,10.63
23723,raffinose,bmse000221,15,68.5609,7.4
23724,raffinose,bmse000221,16,65.174,9.27
23725,raffinose,bmse000221,17,64.0591,8.59
23726,raffinose,bmse000221,18,63.8064,10.78
23727,phenylacetic_acid,bmse000220,1,140.0132,1.48
23728,phenylacetic_acid,bmse000220,2,131.8678,12.4
23729,phenylacetic_acid,bmse000220,3,131.3739,12.5
23730,phenylacetic_acid,bmse000220,4,129.1624,7.27
23731,phenylacetic_acid,bmse000220,5,47.1763,7.68
23732,quinolinic_acid,bmse000219,1,151.0633,4.64
23733,quinolinic_acid,bmse000219,2,139.9295,12.5
23734,quinolinic_acid,bmse000219,3,134.2225,1.66
23735,quinolinic_acid,bmse000219,4,126.3609,1.43
23736,L_arabinose,bmse000213,1,99.4707,11.84
23737,L_arabinose,bmse000213,2,95.2773,6.36
23738,L_arabinose,bmse000213,3,85.6557,1.01
23739,L_arabinose,bmse000213,4,75.1558,12.46
23740,L_arabinose,bmse000213,5,74.5445,11.65
23741,L_arabinose,bmse000213,6,71.3975,5.23
23742,L_arabinose,bmse000213,7,71.291,6.33
23743,L_arabinose,bmse000213,8,71.19,12.5
23744,L_arabinose,bmse000213,9,71.1316,6.46
23745,L_arabinose,bmse000213,10,69.092,10.76
23746,L_arabinose,bmse000213,11,65.1629,5.63
23747,L_arabinose,bmse000213,12,63.7809,1.01
23748,maleic_acid,bmse000212,1,178.0156,12.5
23749,maleic_acid,bmse000212,2,138.0455,2.52
23750,trimethylamine,bmse000224,1,47.3627,12.5
23751,FAD,bmse000226,1,164.0687,6.03
23752,FAD,bmse000226,2,160.4644,6.44
23753,FAD,bmse000226,3,157.4008,5.27
23754,FAD,bmse000226,4,155.0401,6.79
23755,FAD,bmse000226,5,153.2024,6.31
23756,FAD,bmse000226,6,152.7018,4.88
23757,FAD,bmse000226,7,150.7506,8.42
23758,FAD,bmse000226,8,141.8033,9.25
23759,FAD,bmse000226,9,137.3022,7.38
23760,FAD,bmse000226,10,136.7199,6.9
23761,FAD,bmse000226,11,134.1126,5.24
23762,FAD,bmse000226,12,133.1145,6.31
23763,FAD,bmse000226,13,120.4006,4.97
23764,FAD,bmse000226,14,119.1392,5.98
23765,FAD,bmse000226,15,89.8286,8.42
23766,FAD,bmse000226,16,86.1706,4.9
23767,FAD,bmse000226,17,77.5902,9.53
23768,FAD,bmse000226,18,75.1902,7.63
23769,FAD,bmse000226,19,73.8874,4.74
23770,FAD,bmse000226,20,72.6742,9.77
23771,FAD,bmse000226,21,72.0204,7.14
23772,FAD,bmse000226,22,49.8304,4.6
23773,FAD,bmse000226,23,23.4503,12.23
23774,FAD,bmse000226,24,21.3064,12.5
23775,biotin,bmse000227,1,186.5202,3.08
23776,biotin,bmse000227,2,168.1155,1.31
23777,biotin,bmse000227,3,64.7083,11.47
23778,biotin,bmse000227,4,62.9655,10.94
23779,biotin,bmse000227,5,58.0656,12.5
23780,biotin,bmse000227,6,42.4481,10.02
23781,biotin,bmse000227,7,40.0331,11.31
23782,biotin,bmse000227,8,30.9897,10.73
23783,biotin,bmse000227,9,30.4007,10.87
23784,biotin,bmse000227,10,28.3888,11.03
23785,L_malic_acid,bmse000238,1,183.7653,2.22
23786,L_malic_acid,bmse000238,2,182.5621,2.11
23787,L_malic_acid,bmse000238,3,73.0565,11
23788,L_malic_acid,bmse000238,4,45.325,12.5
23789,DL_pipecolic_acid,bmse000237,1,177.3687,2.02
23790,DL_pipecolic_acid,bmse000237,2,61.7014,10.46
23791,DL_pipecolic_acid,bmse000237,3,46.3684,11.14
23792,DL_pipecolic_acid,bmse000237,4,29.2254,12.03
23793,DL_pipecolic_acid,bmse000237,5,24.5183,12.5
23794,DL_pipecolic_acid,bmse000237,6,24.2597,11.72
23795,alpha_naphthoic_acid,bmse000178,1,180.9525,1.22
23796,alpha_naphthoic_acid,bmse000178,2,140.3164,2.38
23797,alpha_naphthoic_acid,bmse000178,3,136.0023,3.43
23798,alpha_naphthoic_acid,bmse000178,4,131.8378,2.83
23799,alpha_naphthoic_acid,bmse000178,5,131.5775,11.93
23800,alpha_naphthoic_acid,bmse000178,6,130.9661,12.32
23801,alpha_naphthoic_acid,bmse000178,7,129.4469,11.78
23802,alpha_naphthoic_acid,bmse000178,8,128.9278,12.24
23803,alpha_naphthoic_acid,bmse000178,9,128.3008,11.2
23804,alpha_naphthoic_acid,bmse000178,10,128.1263,11.47
23805,alpha_naphthoic_acid,bmse000178,11,126.9179,12.5
23806,L_lactic_acid,bmse000208,1,185.2568,1.47
23807,L_lactic_acid,bmse000208,2,71.1986,10.31
23808,L_lactic_acid,bmse000208,3,22.7605,12.5
23809,thymidine,bmse000244,1,169.2606,1.96
23810,thymidine,bmse000244,2,154.4362,2.17
23811,thymidine,bmse000244,3,140.2111,10.41
23812,thymidine,bmse000244,4,114.1556,4.85
23813,thymidine,bmse000244,5,89.1962,12.5
23814,thymidine,bmse000244,6,87.7135,11.37
23815,thymidine,bmse000244,7,73.1301,12.1
23816,thymidine,bmse000244,8,63.8632,10.49
23817,thymidine,bmse000244,9,41.1957,10.46
23818,thymidine,bmse000244,10,14.2614,10.1
23819,citraconic_acid,bmse000199,1,182.5855,1.19
23820,citraconic_acid,bmse000199,2,177.0006,1.62
23821,citraconic_acid,bmse000199,3,150.7235,3.14
23822,citraconic_acid,bmse000199,4,122.9987,12.5
23823,citraconic_acid,bmse000199,5,23.083,10.26
23824,homogentisic_acid,bmse000200,1,183.4495,2.25
23825,homogentisic_acid,bmse000200,2,151.5798,3.49
23826,homogentisic_acid,bmse000200,3,150.3577,2.71
23827,homogentisic_acid,bmse000200,4,128.3103,4.07
23828,homogentisic_acid,bmse000200,5,120.3611,12.12
23829,homogentisic_acid,bmse000200,6,119.7948,12.5
23830,homogentisic_acid,bmse000200,7,117.1989,12.11
23831,homogentisic_acid,bmse000200,8,42.6626,11.69
23832,isonicotinic_acid,bmse000133,1,152.265,11.27
23833,isonicotinic_acid,bmse000133,2,143.3482,1.49
23834,isonicotinic_acid,bmse000133,3,124.3227,12.5
23835,homovanillic_acid,bmse000132,1,184.0342,2.31
23836,homovanillic_acid,bmse000132,2,149.9125,2.75
23837,homovanillic_acid,bmse000132,3,145.8277,2.64
23838,homovanillic_acid,bmse000132,4,132.7556,4.92
23839,homovanillic_acid,bmse000132,5,124.6363,12.01
23840,homovanillic_acid,bmse000132,6,118.1634,12.5
23841,homovanillic_acid,bmse000132,7,116.1596,11.86
23842,homovanillic_acid,bmse000132,8,58.5972,11.89
23843,homovanillic_acid,bmse000132,9,46.5865,11.75
23844,cyanuric_acid,bmse000135,1,158.7585,12.5
23845,ethacrynic_acid,bmse000134,1,202.3118,4.43
23846,ethacrynic_acid,bmse000134,2,177.9826,5
23847,ethacrynic_acid,bmse000134,3,158.7271,7.04
23848,ethacrynic_acid,bmse000134,4,152.4416,9.11
23849,ethacrynic_acid,bmse000134,5,134.6377,7.45
23850,ethacrynic_acid,bmse000134,6,134.3055,7.14
23851,ethacrynic_acid,bmse000134,7,133.1034,4.2
23852,ethacrynic_acid,bmse000134,8,130.6445,11.98
23853,ethacrynic_acid,bmse000134,9,124.6188,3.16
23854,ethacrynic_acid,bmse000134,10,113.5528,12.1
23855,ethacrynic_acid,bmse000134,11,70.3721,12.5
23856,ethacrynic_acid,bmse000134,12,25.8093,12.14
23857,ethacrynic_acid,bmse000134,13,14.5372,10.57
23858,itaconic_acid,bmse000137,1,183.4319,1.66
23859,itaconic_acid,bmse000137,2,144.4598,3.08
23860,itaconic_acid,bmse000137,3,124.7498,11.94
23861,itaconic_acid,bmse000137,4,44.7199,12.5
23862,amygdalin,bmse000139,1,135.1591,3.04
23863,amygdalin,bmse000139,2,133.2211,4.82
23864,amygdalin,bmse000139,3,132.0805,12.5
23865,amygdalin,bmse000139,4,130.5071,12.26
23866,amygdalin,bmse000139,5,121.2539,2.79
23867,amygdalin,bmse000139,6,105.5549,5
23868,amygdalin,bmse000139,7,104.1485,4.67
23869,amygdalin,bmse000139,8,78.6035,5.33
23870,amygdalin,bmse000139,9,78.2945,5.19
23871,amygdalin,bmse000139,10,78.182,4.9
23872,amygdalin,bmse000139,11,78.0819,4.95
23873,amygdalin,bmse000139,12,75.9,5.09
23874,amygdalin,bmse000139,13,75.4567,4.78
23875,amygdalin,bmse000139,14,72.369,5.36
23876,amygdalin,bmse000139,15,71.8621,4.67
23877,amygdalin,bmse000139,16,71.7644,5.77
23878,amygdalin,bmse000139,17,70.9831,3.34
23879,amygdalin,bmse000139,18,63.4233,3.79
23880,D_cellobiose,bmse000138,1,105.2663,8.21
23881,D_cellobiose,bmse000138,2,105.2381,5.61
23882,D_cellobiose,bmse000138,3,98.4528,7.32
23883,D_cellobiose,bmse000138,4,94.5197,4.61
23884,D_cellobiose,bmse000138,5,81.4215,4.68
23885,D_cellobiose,bmse000138,6,81.2838,7.67
23886,D_cellobiose,bmse000138,7,78.6932,12.12
23887,D_cellobiose,bmse000138,8,78.1874,12.5
23888,D_cellobiose,bmse000138,9,77.5013,7.76
23889,D_cellobiose,bmse000138,10,76.9856,7.78
23890,D_cellobiose,bmse000138,11,76.5907,7.38
23891,D_cellobiose,bmse000138,12,75.8703,9.08
23892,D_cellobiose,bmse000138,13,74.0348,4.8
23893,D_cellobiose,bmse000138,14,73.925,5.13
23894,D_cellobiose,bmse000138,15,72.8163,4.72
23895,D_cellobiose,bmse000138,16,72.1615,6.12
23896,D_cellobiose,bmse000138,17,72.1439,8.59
23897,D_cellobiose,bmse000138,18,63.2643,6.56
23898,D_cellobiose,bmse000138,19,62.74,5.36
23899,D_cellobiose,bmse000138,20,62.606,3.56
23900,gamma_D_galactonolactone,bmse000141,1,178.7234,2.86
23901,gamma_D_galactonolactone,bmse000141,2,82.7298,12.5
23902,gamma_D_galactonolactone,bmse000141,3,76.4007,12.48
23903,gamma_D_galactonolactone,bmse000141,4,75.5187,12.19
23904,gamma_D_galactonolactone,bmse000141,5,74.2346,3.63
23905,gamma_D_galactonolactone,bmse000141,6,74.0161,3.26
23906,gamma_D_galactonolactone,bmse000141,7,72.7812,3.45
23907,gamma_D_galactonolactone,bmse000141,8,72.4324,3.36
23908,gamma_D_galactonolactone,bmse000141,9,71.5773,12.34
23909,gamma_D_galactonolactone,bmse000141,10,66.0277,3.07
23910,gamma_D_galactonolactone,bmse000141,11,64.6899,11.19
23911,D_glucuronate,bmse000140,1,179.6525,1.52
23912,D_glucuronate,bmse000140,2,178.6724,2.78
23913,D_glucuronate,bmse000140,3,98.5755,11.73
23914,D_glucuronate,bmse000140,4,94.8123,7.69
23915,D_glucuronate,bmse000140,5,78.959,12.5
23916,D_glucuronate,bmse000140,6,78.2467,11.99
23917,D_glucuronate,bmse000140,7,76.6906,11.59
23918,D_glucuronate,bmse000140,8,75.2591,7.37
23919,D_glucuronate,bmse000140,9,74.8051,6.93
23920,D_glucuronate,bmse000140,10,74.5748,8
23921,D_glucuronate,bmse000140,11,74.5431,12.46
23922,D_glucuronate,bmse000140,12,73.9985,7.55
23923,L_gulonolactone,bmse000235,1,180.7006,2.42
23924,L_gulonolactone,bmse000235,2,84.0626,11.74
23925,L_gulonolactone,bmse000235,3,76.1965,2.96
23926,L_gulonolactone,bmse000235,4,75.331,3.02
23927,L_gulonolactone,bmse000235,5,74.9955,3.01
23928,L_gulonolactone,bmse000235,6,73.5223,12.5
23929,L_gulonolactone,bmse000235,7,73.1631,3.21
23930,L_gulonolactone,bmse000235,8,72.7983,12.19
23931,L_gulonolactone,bmse000235,9,72.2798,12.42
23932,L_gulonolactone,bmse000235,10,65.2205,2.74
23933,L_gulonolactone,bmse000235,11,64.1843,11.09
23934,glycogen,bmse000232,1,102.5103,8.96
23935,glycogen,bmse000232,2,79.5505,5.53
23936,glycogen,bmse000232,3,75.5834,9.32
23937,glycogen,bmse000232,4,74.2061,12.5
23938,glycogen,bmse000232,5,72.0454,4.53
23939,glycogen,bmse000232,6,63.2055,9.29
23940,melibiose,bmse000233,1,100.9084,5.19
23941,melibiose,bmse000233,2,100.8632,7.98
23942,melibiose,bmse000233,3,98.7735,7.66
23943,melibiose,bmse000233,4,94.8931,4.76
23944,melibiose,bmse000233,5,78.5818,7.97
23945,melibiose,bmse000233,6,77.0484,7.73
23946,melibiose,bmse000233,7,76.7428,7.76
23947,melibiose,bmse000233,8,75.6402,4.58
23948,melibiose,bmse000233,9,74.1149,4.63
23949,melibiose,bmse000233,10,73.6528,8.49
23950,melibiose,bmse000233,11,72.7893,4.29
23951,melibiose,bmse000233,12,72.267,4.52
23952,melibiose,bmse000233,13,72.1674,11.07
23953,melibiose,bmse000233,14,72.1167,8.55
23954,melibiose,bmse000233,15,71.8963,12.5
23955,melibiose,bmse000233,16,71.1803,5.19
23956,melibiose,bmse000233,17,71.1491,7.83
23957,melibiose,bmse000233,18,68.5995,3.44
23958,melibiose,bmse000233,19,68.5046,5.7
23959,melibiose,bmse000233,20,63.7983,7.42
23960,D_glucono_1_5_lactone,bmse000230,1,181.2312,2.98
23961,D_glucono_1_5_lactone,bmse000230,2,76.6877,12.5
23962,D_glucono_1_5_lactone,bmse000230,3,75.204,12.42
23963,D_glucono_1_5_lactone,bmse000230,4,73.8622,12.42
23964,D_glucono_1_5_lactone,bmse000230,5,73.6372,12.42
23965,D_glucono_1_5_lactone,bmse000230,6,65.3046,10.99
23966,N_acetyl_D_glucosamine,bmse000231,1,177.4899,2.8
23967,N_acetyl_D_glucosamine,bmse000231,2,177.2462,4.07
23968,N_acetyl_D_glucosamine,bmse000231,3,97.6343,8.26
23969,N_acetyl_D_glucosamine,bmse000231,4,93.5456,12.5
23970,N_acetyl_D_glucosamine,bmse000231,5,78.6606,9.02
23971,N_acetyl_D_glucosamine,bmse000231,6,76.5921,8.56
23972,N_acetyl_D_glucosamine,bmse000231,7,74.2719,12.4
23973,N_acetyl_D_glucosamine,bmse000231,8,73.3628,12.21
23974,N_acetyl_D_glucosamine,bmse000231,9,72.7507,12.34
23975,N_acetyl_D_glucosamine,bmse000231,10,72.5242,8.84
23976,N_acetyl_D_glucosamine,bmse000231,11,63.4249,7.22
23977,N_acetyl_D_glucosamine,bmse000231,12,63.2564,10.49
23978,N_acetyl_D_glucosamine,bmse000231,13,59.3824,8.25
23979,N_acetyl_D_glucosamine,bmse000231,14,56.8002,11.86
23980,N_acetyl_D_glucosamine,bmse000231,15,24.8865,6.38
23981,N_acetyl_D_glucosamine,bmse000231,16,24.609,9.19
23982,polygalacturonic_acid,bmse000228,1,178.1914,12.5
23983,polygalacturonic_acid,bmse000228,2,101.6522,9.97
23984,polygalacturonic_acid,bmse000228,3,80.5569,9.65
23985,polygalacturonic_acid,bmse000228,4,73.9772,8.45
23986,polygalacturonic_acid,bmse000228,5,71.4996,8.28
23987,polygalacturonic_acid,bmse000228,6,70.7598,8.29
23988,polygalacturonic_acid,bmse000228,7,26.4074,3.65
23989,D_saccharate,bmse000239,1,181.3679,2.13
23990,D_saccharate,bmse000239,2,181.237,1.95
23991,D_saccharate,bmse000239,3,76.4264,11.96
23992,D_saccharate,bmse000239,4,76.4165,12.5
23993,D_saccharate,bmse000239,5,76.2846,9.51
23994,D_saccharate,bmse000239,6,74.3621,9.95
23995,stachyose,bmse000240,1,106.5168,12.21
23996,stachyose,bmse000240,2,101.06,8.92
23997,stachyose,bmse000240,3,100.7169,10.76
23998,stachyose,bmse000240,4,94.8219,8.89
23999,stachyose,bmse000240,5,84.0524,9.16
24000,stachyose,bmse000240,6,78.9976,9.04
24001,stachyose,bmse000240,7,76.6795,9.2
24002,stachyose,bmse000240,8,75.4111,9
24003,stachyose,bmse000240,9,73.9757,8.23
24004,stachyose,bmse000240,10,73.7006,10.47
24005,stachyose,bmse000240,11,73.6476,9.63
24006,stachyose,bmse000240,12,72.1972,12.5
24007,stachyose,bmse000240,13,72.173,10.25
24008,stachyose,bmse000240,14,72.0684,10.06
24009,stachyose,bmse000240,15,72.0362,10.92
24010,stachyose,bmse000240,16,71.9303,12.49
24011,stachyose,bmse000240,17,71.5019,8.73
24012,stachyose,bmse000240,18,71.1393,9.07
24013,stachyose,bmse000240,19,70.9835,10.63
24014,stachyose,bmse000240,20,69.1734,6.48
24015,stachyose,bmse000240,21,68.5201,5.87
24016,stachyose,bmse000240,22,65.1886,8.65
24017,stachyose,bmse000240,23,64.0756,7.23
24018,stachyose,bmse000240,24,63.8499,10.36
24019,L_tartaric_acid,bmse000167,1,181.2992,12.5
24020,D_xylonate_cadmium,bmse000166,1,181.2863,3.14
24021,D_xylonate_cadmium,bmse000166,2,75.334,10.18
24022,D_xylonate_cadmium,bmse000166,3,75.0844,12.5
24023,D_xylonate_cadmium,bmse000166,4,65.059,9.59
24024,N_acetyl_D_glucosamine_1_phosphate,bmse000163,1,177.4252,6.68
24025,N_acetyl_D_glucosamine_1_phosphate,bmse000163,2,95.4941,6.42
24026,N_acetyl_D_glucosamine_1_phosphate,bmse000163,3,95.4396,6.74
24027,N_acetyl_D_glucosamine_1_phosphate,bmse000163,4,74.801,12.35
24028,N_acetyl_D_glucosamine_1_phosphate,bmse000163,5,74.139,11.43
24029,N_acetyl_D_glucosamine_1_phosphate,bmse000163,6,72.7232,12.5
24030,N_acetyl_D_glucosamine_1_phosphate,bmse000163,7,63.4049,10.26
24031,N_acetyl_D_glucosamine_1_phosphate,bmse000163,8,60.1376,1.31
24032,N_acetyl_D_glucosamine_1_phosphate,bmse000163,9,56.8998,5.8
24033,N_acetyl_D_glucosamine_1_phosphate,bmse000163,10,56.8264,6.12
24034,N_acetyl_D_glucosamine_1_phosphate,bmse000163,11,24.8578,11.78
24035,N_acetyl_D_glucosamine_1_phosphate,bmse000163,12,19.5062,1.22
24036,L_ornithine,bmse000162,1,177.052,2.52
24037,L_ornithine,bmse000162,2,56.8032,12.42
24038,L_ornithine,bmse000162,3,41.5581,10.67
24039,L_ornithine,bmse000162,4,30.183,12.5
24040,L_ornithine,bmse000162,5,25.4674,10.78
24041,D_alanine,bmse000236,1,178.5839,1.59
24042,D_alanine,bmse000236,2,53.2011,9.79
24043,D_alanine,bmse000236,3,18.8519,12.5
24044,4_nitrophenol,bmse000223,1,130.0111,12.5
24045,4_nitrophenol,bmse000223,2,129.9947,12.29
24046,4_nitrophenol,bmse000223,3,120.3011,8.51
24047,4_nitrophenol,bmse000223,4,120.2591,10.79
24048,D_L_glyceraldehyde,bmse000225,1,92.4597,11.03
24049,D_L_glyceraldehyde,bmse000225,2,76.7639,11.48
24050,D_L_glyceraldehyde,bmse000225,3,64.6759,12.5
24051,4_hydroxycinnamic_acid,bmse000150,1,178.908,1.38
24052,4_hydroxycinnamic_acid,bmse000150,2,159.818,1.85
24053,4_hydroxycinnamic_acid,bmse000150,3,143.5246,4.55
24054,4_hydroxycinnamic_acid,bmse000150,4,132.2994,11.74
24055,4_hydroxycinnamic_acid,bmse000150,5,130.1932,2.25
24056,4_hydroxycinnamic_acid,bmse000150,6,124.1229,4.91
24057,4_hydroxycinnamic_acid,bmse000150,7,118.5321,12.5
24058,alpha_D_galactose_1_phosphate,bmse000151,1,96.62,5.96
24059,alpha_D_galactose_1_phosphate,bmse000151,2,96.566,5.93
24060,alpha_D_galactose_1_phosphate,bmse000151,3,73.8281,11.4
24061,alpha_D_galactose_1_phosphate,bmse000151,4,72.304,10.42
24062,alpha_D_galactose_1_phosphate,bmse000151,5,72.1558,12.5
24063,alpha_D_galactose_1_phosphate,bmse000151,6,71.7402,5.87
24064,alpha_D_galactose_1_phosphate,bmse000151,7,71.6737,5.84
24065,alpha_D_galactose_1_phosphate,bmse000151,8,64.0705,10.09
24066,dAMP,bmse000250,1,155.0627,3.71
24067,dAMP,bmse000250,2,142.9366,3.42
24068,dAMP,bmse000250,3,90.1821,11.54
24069,dAMP,bmse000250,4,87.3797,7.1
24070,dAMP,bmse000250,5,74.0139,10.26
24071,dAMP,bmse000250,6,64.4148,12.5
24072,dAMP,bmse000250,7,41.7694,7.82
24073,Oxalosuccinate,bmse000251,1,184.1371,2.15
24074,Oxalosuccinate,bmse000251,2,172.7664,1.95
24075,Oxalosuccinate,bmse000251,3,52.8383,1.48
24076,Oxalosuccinate,bmse000251,4,38.5758,5.93
24077,Oxalosuccinate,bmse000251,5,38.454,1.48
24078,Oxalosuccinate,bmse000251,6,38.2644,1.54
24079,Oxalosuccinate,bmse000251,7,38.0683,1.39
24080,Oxalosuccinate,bmse000251,8,36.9355,3.83
24081,Oxalosuccinate,bmse000251,9,35.3007,1.19
24082,Oxalosuccinate,bmse000251,10,34.9692,1.16
24083,Oxalosuccinate,bmse000251,11,33.3147,5.48
24084,Oxalosuccinate,bmse000251,12,33.2611,6.95
24085,Oxalosuccinate,bmse000251,13,33.2048,12.5
24086,Oxalosuccinate,bmse000251,14,25.9719,1.99
24087,Salicylate,bmse000252,1,178.336,1.8
24088,Salicylate,bmse000252,2,162.3095,1.9
24089,Salicylate,bmse000252,3,136.7054,12.5
24090,Salicylate,bmse000252,4,133.2002,11.8
24091,Salicylate,bmse000252,5,122.0978,11.69
24092,Salicylate,bmse000252,6,120.713,2.32
24093,Salicylate,bmse000252,7,119.007,12.31
24094,dADP,bmse000253,1,158.1421,4.9
24095,dADP,bmse000253,2,155.3005,9.18
24096,dADP,bmse000253,3,151.2181,2.23
24097,dADP,bmse000253,4,142.6258,3.6
24098,dADP,bmse000253,5,121.1832,1.88
24099,dADP,bmse000253,6,88.4189,5.03
24100,dADP,bmse000253,7,88.3329,5.02
24101,dADP,bmse000253,8,86.1412,10.03
24102,dADP,bmse000253,9,73.3197,12.5
24103,dADP,bmse000253,10,67.3652,4.1
24104,dADP,bmse000253,11,67.3129,3.98
24105,dADP,bmse000253,12,41.5514,9.81
24106,D_Fructose_1_phosphate,bmse000254,1,100.8301,3.74
24107,D_Fructose_1_phosphate,bmse000254,2,100.7578,3.97
24108,D_Fructose_1_phosphate,bmse000254,3,83.1443,1.21
24109,D_Fructose_1_phosphate,bmse000254,4,78.79,1.8
24110,D_Fructose_1_phosphate,bmse000254,5,76.8304,1.21
24111,D_Fructose_1_phosphate,bmse000254,6,72.0493,12.5
24112,D_Fructose_1_phosphate,bmse000254,7,71.8351,11.69
24113,D_Fructose_1_phosphate,bmse000254,8,70.5098,12.35
24114,D_Fructose_1_phosphate,bmse000254,9,68.9967,5.19
24115,D_Fructose_1_phosphate,bmse000254,10,68.9492,5.25
24116,D_Fructose_1_phosphate,bmse000254,11,66.0887,9.73
24117,D_Fructose_1_phosphate,bmse000254,12,64.969,2.12
24118,D_Fructose_1_phosphate,bmse000254,13,64.1264,1.29
24119,ITP,bmse000255,1,161.4399,4.25
24120,ITP,bmse000255,2,151.5943,2.62
24121,ITP,bmse000255,3,149.0201,9.65
24122,ITP,bmse000255,4,142.5226,5.74
24123,ITP,bmse000255,5,126.3562,2.24
24124,ITP,bmse000255,6,90.276,1.56
24125,ITP,bmse000255,7,89.9312,10.81
24126,ITP,bmse000255,8,86.8306,5.65
24127,ITP,bmse000255,9,86.7415,5.81
24128,ITP,bmse000255,10,77.2254,2.18
24129,ITP,bmse000255,11,77.1273,12.5
24130,ITP,bmse000255,12,72.8596,11.68
24131,ITP,bmse000255,13,72.5243,2.14
24132,ITP,bmse000255,14,67.7479,4.35
24133,ITP,bmse000255,15,67.695,4.23
24134,Formaldehyde,bmse000256,1,84.4358,12.5
24135,FMN,bmse000257,1,163.2526,6.78
24136,FMN,bmse000257,2,160.3175,7.33
24137,FMN,bmse000257,3,153.429,6.6
24138,FMN,bmse000257,4,152.3129,4.11
24139,FMN,bmse000257,5,142.1584,7.18
24141,FMN,bmse000257,7,136.1877,6.82
24142,FMN,bmse000257,8,134.1083,4
24143,FMN,bmse000257,9,132.8224,4.98
24144,FMN,bmse000257,10,119.7064,4.78
24145,FMN,bmse000257,11,75.2209,6.14
24146,FMN,bmse000257,12,74.4868,3.9
24147,FMN,bmse000257,13,74.4237,3.92
24148,FMN,bmse000257,14,72.0087,6.36
24149,FMN,bmse000257,15,67.8012,3.52
24150,FMN,bmse000257,16,50.1474,2.93
24151,FMN,bmse000257,17,23.466,11.62
24152,FMN,bmse000257,18,21.3437,12.5
24153,Glycolaldehyde,bmse000258,1,92.374,9.81
24154,Glycolaldehyde,bmse000258,2,67.1623,12.5
24155,4_Hydroxybenzaldehyde,bmse000259,1,197.0798,3.76
24156,4_Hydroxybenzaldehyde,bmse000259,2,136.1538,9.71
24157,4_Hydroxybenzaldehyde,bmse000259,3,129.545,1.03
24158,4_Hydroxybenzaldehyde,bmse000259,4,119.8609,12.5
24159,Nicotinamide_D_ribonucleotide,bmse000260,1,175.8236,3.35
24160,Nicotinamide_D_ribonucleotide,bmse000260,2,141.0654,10.52
24161,Nicotinamide_D_ribonucleotide,bmse000260,3,127.6138,9.12
24162,Nicotinamide_D_ribonucleotide,bmse000260,4,108.182,10.66
24163,Nicotinamide_D_ribonucleotide,bmse000260,5,103.4044,6.52
24164,Nicotinamide_D_ribonucleotide,bmse000260,6,103.1839,1.61
24165,Nicotinamide_D_ribonucleotide,bmse000260,7,97.6396,11.48
24166,Nicotinamide_D_ribonucleotide,bmse000260,8,85.9422,6.34
24167,Nicotinamide_D_ribonucleotide,bmse000260,9,85.8555,6.04
24168,Nicotinamide_D_ribonucleotide,bmse000260,10,80.4925,1.81
24169,Nicotinamide_D_ribonucleotide,bmse000260,11,74.2063,1.79
24170,Nicotinamide_D_ribonucleotide,bmse000260,12,73.4952,12.5
24171,Nicotinamide_D_ribonucleotide,bmse000260,13,73.3372,12.21
24172,Nicotinamide_D_ribonucleotide,bmse000260,14,66.7617,5.06
24173,Nicotinamide_D_ribonucleotide,bmse000260,15,66.7167,4.78
24174,Nicotinamide_D_ribonucleotide,bmse000260,16,24.6964,9.6
24175,Acetyl_phosphate,bmse000261,1,175.0096,3.44
24176,Acetyl_phosphate,bmse000261,2,25.9801,10.24
24177,Acetyl_phosphate,bmse000261,3,24.7883,12.5
24178,Acetyl_phosphate,bmse000261,4,24.7425,11.1
24179,3_4_Hydroxyphenyl_pyruvate,bmse000262,1,157.3242,1.3
24180,3_4_Hydroxyphenyl_pyruvate,bmse000262,2,133.865,7.91
24181,3_4_Hydroxyphenyl_pyruvate,bmse000262,3,118.3826,12.5
24182,3_4_Hydroxyphenyl_pyruvate,bmse000262,4,117.7478,1.45
24183,NADP,bmse000263,1,167.8496,4.47
24184,NADP,bmse000263,2,158.1147,5.39
24185,NADP,bmse000263,3,155.428,9.01
24186,NADP,bmse000263,4,151.6757,5.76
24187,NADP,bmse000263,5,148.3745,7.75
24188,NADP,bmse000263,6,145.0167,6.29
24189,NADP,bmse000263,7,142.8886,8.29
24190,NADP,bmse000263,8,142.5477,5.92
24191,NADP,bmse000263,9,136.304,8.28
24192,NADP,bmse000263,10,131.3453,8.51
24193,NADP,bmse000263,11,121.1612,3.82
24194,NADP,bmse000263,12,102.729,11.11
24195,NADP,bmse000263,13,89.8221,5.86
24196,NADP,bmse000263,14,89.7336,5.64
24197,NADP,bmse000263,15,89.2538,5.26
24198,NADP,bmse000263,16,89.1719,5.28
24199,NADP,bmse000263,17,85.7472,5.48
24200,NADP,bmse000263,18,85.6577,5.52
24201,NADP,bmse000263,19,80.3221,12.5
24202,NADP,bmse000263,20,78.7636,5.55
24203,NADP,bmse000263,21,78.722,5.71
24204,NADP,bmse000263,22,73.3731,12.23
24205,NADP,bmse000263,23,72.7335,7.06
24206,NADP,bmse000263,24,68.2193,4.11
24207,NADP,bmse000263,25,67.6754,4.43
24208,NADP,bmse000263,26,57.0544,1.98
24209,4_Nitrophenyl_phosphate,bmse000264,1,163.0405,1.08
24210,4_Nitrophenyl_phosphate,bmse000264,2,144.5179,1.04
24211,4_Nitrophenyl_phosphate,bmse000264,3,128.4131,12.5
24212,4_Nitrophenyl_phosphate,bmse000264,4,122.6671,7.06
24213,4_Nitrophenyl_phosphate,bmse000264,5,122.6148,7.04
24214,4_Nitrocatechol,bmse000265,1,164.1278,1.69
24215,4_Nitrocatechol,bmse000265,2,148.5107,2.32
24216,4_Nitrocatechol,bmse000265,3,138.4594,1.3
24217,4_Nitrocatechol,bmse000265,4,122.9045,11.12
24218,4_Nitrocatechol,bmse000265,5,118.6529,12.08
24219,4_Nitrocatechol,bmse000265,6,112.45,12.5
24220,UDP,bmse000266,1,169.0888,5
24221,UDP,bmse000266,2,154.545,3.74
24222,UDP,bmse000266,3,144.5243,8.52
24223,UDP,bmse000266,4,105.234,10.35
24224,UDP,bmse000266,5,91.4445,11.2
24225,UDP,bmse000266,6,85.9024,5.62
24226,UDP,bmse000266,7,85.8136,5.66
24227,UDP,bmse000266,8,76.5959,12.5
24228,UDP,bmse000266,9,71.8259,11.92
24229,UDP,bmse000266,10,66.8315,4.4
24230,UDP,bmse000266,11,66.7792,4.54
24231,Formamide,bmse000267,1,169.4492,12.5
24232,R_Lactate,bmse000269,1,185.265,2.92
24233,R_Lactate,bmse000269,2,71.1978,10.49
24234,R_Lactate,bmse000269,3,22.7641,12.5
24235,GDP,bmse000270,1,161.6068,4.89
24236,GDP,bmse000270,2,156.6326,5.27
24237,GDP,bmse000270,3,154.1538,4.67
24238,GDP,bmse000270,4,140.2801,1.14
24239,GDP,bmse000270,5,140.1096,6.84
24240,GDP,bmse000270,6,118.7579,3.69
24241,GDP,bmse000270,7,89.8065,11.14
24242,GDP,bmse000270,8,86.2198,5.66
24243,GDP,bmse000270,9,86.132,5.77
24244,GDP,bmse000270,10,76.7534,12.5
24245,GDP,bmse000270,11,72.5131,12.28
24246,GDP,bmse000270,12,67.1729,4.45
24247,GDP,bmse000270,13,67.1215,4.26
24248,CoA,bmse000271,1,177.6817,2.7
24249,CoA,bmse000271,2,177.4294,8.2
24250,CoA,bmse000271,3,176.8233,2.08
24251,CoA,bmse000271,4,176.7106,6.6
24252,CoA,bmse000271,5,158.389,5.21
24253,CoA,bmse000271,6,155.6654,8.04
24254,CoA,bmse000271,7,155.5753,5.97
24255,CoA,bmse000271,8,152.1398,5.55
24256,CoA,bmse000271,9,152.0219,2.76
24257,CoA,bmse000271,10,142.9347,4.88
24258,CoA,bmse000271,11,142.6212,6.68
24259,CoA,bmse000271,12,121.3186,3.76
24260,CoA,bmse000271,13,89.3885,6.08
24261,CoA,bmse000271,14,89.1901,9.09
24262,CoA,bmse000271,15,87.3585,1.54
24263,CoA,bmse000271,16,87.3087,1.85
24264,CoA,bmse000271,17,87.2237,1.74
24265,CoA,bmse000271,18,86.8498,2.3
24266,CoA,bmse000271,19,86.7595,2.57
24267,CoA,bmse000271,20,85.3884,1.1
24268,CoA,bmse000271,21,79.6453,1.28
24269,CoA,bmse000271,22,79.1396,1.19
24270,CoA,bmse000271,23,78.2226,1.22
24271,CoA,bmse000271,24,77.5422,4.25
24272,CoA,bmse000271,25,77.2177,3.82
24273,CoA,bmse000271,26,77.1851,3.69
24274,CoA,bmse000271,27,76.9949,5.4
24275,CoA,bmse000271,28,76.9604,4.74
24276,CoA,bmse000271,29,76.7805,9.52
24277,CoA,bmse000271,30,76.4673,4.19
24278,CoA,bmse000271,31,76.4236,8.22
24279,CoA,bmse000271,32,76.3796,5.46
24280,CoA,bmse000271,33,74.5542,4.24
24281,CoA,bmse000271,34,74.4922,3.65
24282,CoA,bmse000271,35,73.328,2.2
24283,CoA,bmse000271,36,73.2765,1.86
24284,CoA,bmse000271,37,68.4744,3.83
24285,CoA,bmse000271,38,68.4222,3.88
24286,CoA,bmse000271,39,66.6691,2.47
24287,CoA,bmse000271,40,66.6238,2.86
24288,CoA,bmse000271,41,45.0428,4.93
24289,CoA,bmse000271,42,44.9976,11.76
24290,CoA,bmse000271,43,44.9048,1.18
24291,CoA,bmse000271,44,41.1259,2.81
24292,CoA,bmse000271,45,41.0359,6.14
24293,CoA,bmse000271,46,40.9558,6.01
24294,CoA,bmse000271,47,40.7593,1.76
24295,CoA,bmse000271,48,39.1263,1.74
24296,CoA,bmse000271,49,38.2973,1.72
24297,CoA,bmse000271,50,38.1621,9.87
24298,CoA,bmse000271,51,38.0817,9.25
24299,CoA,bmse000271,52,25.7997,12.5
24300,CoA,bmse000271,53,24.0869,1.45
24301,CoA,bmse000271,54,23.9984,3.96
24302,CoA,bmse000271,55,23.5128,8.93
24303,CoA,bmse000271,56,22.6789,1.36
24304,CoA,bmse000271,57,20.9419,3.81
24305,CoA,bmse000271,58,20.7819,9.63
24306,CoA,bmse000271,59,20.1012,1.78
24307,CDP,bmse000272,1,168.8761,4.9
24308,CDP,bmse000272,2,160.4002,4.39
24309,CDP,bmse000272,3,144.5698,1.09
24310,CDP,bmse000272,4,144.266,8.55
24311,CDP,bmse000272,5,99.3648,1.46
24312,CDP,bmse000272,6,99.2242,9.38
24313,CDP,bmse000272,7,92.2295,11.24
24314,CDP,bmse000272,8,91.8456,1.72
24315,CDP,bmse000272,9,85.3396,5.74
24316,CDP,bmse000272,10,85.2502,5.69
24317,CDP,bmse000272,11,77.0076,12.5
24318,CDP,bmse000272,12,72.3706,1.47
24319,CDP,bmse000272,13,71.4858,12.07
24320,CDP,bmse000272,14,66.6366,4.51
24321,CDP,bmse000272,15,66.5841,4.41
24322,D_Aspartate,bmse000273,1,180.3052,2.2
24323,D_Aspartate,bmse000273,2,177.0122,1.98
24324,D_Aspartate,bmse000273,3,54.9072,9.91
24325,D_Aspartate,bmse000273,4,39.2644,12.5
24326,Thiamin,bmse000274,1,171.726,5.58
24327,Thiamin,bmse000274,2,164.5163,3.11
24328,Thiamin,bmse000274,3,159.8969,10.99
24329,Thiamin,bmse000274,4,145.552,3.59
24330,Thiamin,bmse000274,5,138.7379,4.97
24331,Thiamin,bmse000274,6,107.1899,6.29
24332,Thiamin,bmse000274,7,63.1255,12.5
24333,Thiamin,bmse000274,8,53.7574,10.69
24334,Thiamin,bmse000274,9,31.9248,12.41
24335,Thiamin,bmse000274,10,26.7632,11.25
24336,Thiamin,bmse000274,11,13.8517,12.02
24337,D_Fructose_2_6_bisphosphate,bmse000275,1,106.8714,4.79
24338,D_Fructose_2_6_bisphosphate,bmse000275,2,106.8017,4.74
24339,D_Fructose_2_6_bisphosphate,bmse000275,3,82.9825,6.41
24340,D_Fructose_2_6_bisphosphate,bmse000275,4,82.912,6.28
24341,D_Fructose_2_6_bisphosphate,bmse000275,5,80.0513,6.58
24342,D_Fructose_2_6_bisphosphate,bmse000275,6,80.0052,6.39
24343,D_Fructose_2_6_bisphosphate,bmse000275,7,78.0543,12.5
24344,D_Fructose_2_6_bisphosphate,bmse000275,8,68.3553,5.53
24345,D_Fructose_2_6_bisphosphate,bmse000275,9,68.3079,5.71
24346,D_Fructose_2_6_bisphosphate,bmse000275,10,65.2002,7.1
24347,D_Fructose_2_6_bisphosphate,bmse000275,11,60.1397,1.11
24348,D_Fructose_2_6_bisphosphate,bmse000275,12,19.51,1.19
24349,Ethanolamine,bmse000276,1,60.3171,12.5
24350,Ethanolamine,bmse000276,2,43.9507,8.05
24351,CTP,bmse000277,1,168.8983,5.15
24352,CTP,bmse000277,2,160.5208,4.42
24353,CTP,bmse000277,3,144.2311,8.6
24354,CTP,bmse000277,4,99.3524,9.52
24355,CTP,bmse000277,5,91.8085,11.04
24356,CTP,bmse000277,6,85.501,5.68
24357,CTP,bmse000277,7,85.4107,5.57
24358,CTP,bmse000277,8,77.0203,1.35
24359,CTP,bmse000277,9,76.8989,12.5
24360,CTP,bmse000277,10,71.7933,11.89
24361,CTP,bmse000277,11,71.4631,1.06
24362,CTP,bmse000277,12,67.272,4.2
24363,CTP,bmse000277,13,67.2177,4.39
24364,D_Ribulose_5_phosphate,bmse000278,1,103.8241,7.82
24365,D_Ribulose_5_phosphate,bmse000278,2,98.9771,2.24
24366,D_Ribulose_5_phosphate,bmse000278,3,85.3023,1.6
24367,D_Ribulose_5_phosphate,bmse000278,4,84.6704,3.81
24368,D_Ribulose_5_phosphate,bmse000278,5,84.5875,4.13
24369,D_Ribulose_5_phosphate,bmse000278,6,78.03,9.99
24370,D_Ribulose_5_phosphate,bmse000278,7,73.4112,12.5
24371,D_Ribulose_5_phosphate,bmse000278,8,72.931,3.83
24372,D_Ribulose_5_phosphate,bmse000278,9,67.3547,5.39
24373,D_Ribulose_5_phosphate,bmse000278,10,67.3093,5.5
24374,D_Ribulose_5_phosphate,bmse000278,11,66.4813,2.3
24375,Urocanate,bmse000279,1,178.6198,2.5
24376,Urocanate,bmse000279,2,140.3626,11.29
24377,Urocanate,bmse000279,3,137.0776,2.14
24378,Urocanate,bmse000279,4,133.668,10.36
24379,Urocanate,bmse000279,5,124.4849,12.5
24380,Urocanate,bmse000279,6,123.9802,8.38
24381,UMP,bmse000280,1,169.0839,4.57
24382,UMP,bmse000280,2,154.6578,3.41
24383,UMP,bmse000280,3,144.8275,8.54
24384,UMP,bmse000280,4,105.3924,10.43
24385,UMP,bmse000280,5,91.006,11.31
24386,UMP,bmse000280,6,86.9204,5.97
24387,UMP,bmse000280,7,86.8326,6.05
24388,UMP,bmse000280,8,76.6643,12.5
24389,UMP,bmse000280,9,72.7729,12.16
24390,UMP,bmse000280,10,65.9126,4.79
24391,UMP,bmse000280,11,65.8681,4.9
24392,Nicotinamide,bmse000281,1,154.5266,12.5
24393,Nicotinamide,bmse000281,2,150.344,11.49
24394,Nicotinamide,bmse000281,3,139.1539,11.48
24395,Nicotinamide,bmse000281,4,131.9398,1.76
24396,Nicotinamide,bmse000281,5,126.9235,10.76
24397,DL_Alanine,bmse000282,1,178.5738,1.77
24398,DL_Alanine,bmse000282,2,53.2017,9.6
24399,DL_Alanine,bmse000282,3,18.85,12.5
24400,Orotate,bmse000283,1,104.064,12.5
24401,Benzonitrile,bmse000284,1,136.2019,8.6
24402,Benzonitrile,bmse000284,2,135.1116,12.5
24403,Benzonitrile,bmse000284,3,131.8912,12.48
24404,Choline,bmse000285,1,70.1479,3.39
24405,Choline,bmse000285,2,70.1177,3.59
24406,Choline,bmse000285,3,70.0875,3.34
24407,Choline,bmse000285,4,58.3089,8.06
24408,Choline,bmse000285,5,56.621,11.8
24409,Choline,bmse000285,6,56.5813,12.5
24410,Choline,bmse000285,7,56.542,12.01
24411,Acetophenone,bmse000286,1,136.8469,7.17
24412,Acetophenone,bmse000286,2,131.5104,12.5
24413,Acetophenone,bmse000286,3,131.2516,11.84
24414,Acetophenone,bmse000286,4,28.9711,3.47
24415,Pantothenate,bmse000287,1,183.0208,3.24
24416,Pantothenate,bmse000287,2,177.6531,4.02
24417,Pantothenate,bmse000287,3,78.4586,12.5
24418,Pantothenate,bmse000287,4,71.0985,10.81
24419,Pantothenate,bmse000287,5,41.2778,8.26
24420,Pantothenate,bmse000287,6,39.3779,10.45
24421,Pantothenate,bmse000287,7,38.8533,9.94
24422,Pantothenate,bmse000287,8,23.2349,9.96
24423,Pantothenate,bmse000287,9,21.8424,10.1
24424,Pyridoxine,bmse000288,1,163.4259,2.28
24425,Pyridoxine,bmse000288,2,146.9983,3.52
24426,Pyridoxine,bmse000288,3,141.4468,3.78
24427,Pyridoxine,bmse000288,4,138.1842,4.52
24428,Pyridoxine,bmse000288,5,127.4073,3.84
24429,Pyridoxine,bmse000288,6,61.4656,12.5
24430,Pyridoxine,bmse000288,7,58.6687,10.33
24431,Pyridoxine,bmse000288,8,18.2013,8.23
24432,S_Adenosyl_L_homocysteine,bmse000289,1,176.8876,4.61
24433,S_Adenosyl_L_homocysteine,bmse000289,2,158.3878,3.44
24434,S_Adenosyl_L_homocysteine,bmse000289,3,155.6615,9.39
24435,S_Adenosyl_L_homocysteine,bmse000289,4,151.6956,3.2
24436,S_Adenosyl_L_homocysteine,bmse000289,5,142.814,7.91
24437,S_Adenosyl_L_homocysteine,bmse000289,6,121.5644,2.04
24438,S_Adenosyl_L_homocysteine,bmse000289,7,90.125,10.63
24439,S_Adenosyl_L_homocysteine,bmse000289,8,90.0104,2.04
24440,S_Adenosyl_L_homocysteine,bmse000289,9,86.1029,11.9
24441,S_Adenosyl_L_homocysteine,bmse000289,10,75.9715,11.38
24442,S_Adenosyl_L_homocysteine,bmse000289,11,75.0004,12.5
24443,S_Adenosyl_L_homocysteine,bmse000289,12,56.4364,10.43
24444,S_Adenosyl_L_homocysteine,bmse000289,13,36.2065,8.4
24445,S_Adenosyl_L_homocysteine,bmse000289,14,33.1203,8.91
24446,S_Adenosyl_L_homocysteine,bmse000289,15,30.4627,9.14
24447,Phenol,bmse000290,1,132.703,11.87
24448,Phenol,bmse000290,2,123.3534,6.56
24449,Phenol,bmse000290,3,118.0886,12.5
24450,Selenomethionine,bmse000291,1,176.8764,2.7
24451,Selenomethionine,bmse000291,2,57.3265,11.71
24452,Selenomethionine,bmse000291,3,33.5106,11.73
24453,Selenomethionine,bmse000291,4,21.8408,12.5
24454,Selenomethionine,bmse000291,5,5.875,6.96
24455,UDPglucuronate,bmse000292,1,179.1513,4.63
24456,UDPglucuronate,bmse000292,2,169.0242,5.14
24457,UDPglucuronate,bmse000292,3,154.6097,3.93
24458,UDPglucuronate,bmse000292,4,144.2873,8.42
24459,UDPglucuronate,bmse000292,5,105.4108,10.1
24460,UDPglucuronate,bmse000292,6,98.1166,5.83
24461,UDPglucuronate,bmse000292,7,98.0506,5.78
24462,UDPglucuronate,bmse000292,8,91.0126,10.69
24463,UDPglucuronate,bmse000292,9,86.0368,5.52
24464,UDPglucuronate,bmse000292,10,85.9455,5.68
24465,UDPglucuronate,bmse000292,11,76.498,12.5
24466,UDPglucuronate,bmse000292,12,75.7603,10.99
24467,UDPglucuronate,bmse000292,13,75.2986,10.18
24468,UDPglucuronate,bmse000292,14,74.5675,11.19
24469,UDPglucuronate,bmse000292,15,74.1227,5.66
24470,UDPglucuronate,bmse000292,16,74.0395,5.54
24471,UDPglucuronate,bmse000292,17,72.367,11.96
24472,UDPglucuronate,bmse000292,18,67.7081,4.35
24473,UDPglucuronate,bmse000292,19,67.6532,4.54
24474,UDPglucuronate,bmse000292,20,60.142,1.01
24475,UDPglucuronate,bmse000292,21,19.5053,1.3
24476,Hydroquinone,bmse000293,1,151.6552,1.09
24477,Hydroquinone,bmse000293,2,119.0705,12.5
24478,Methanol,bmse000294,1,51.571,12.5
24479,Methanol,bmse000294,2,8.3835,1.29
24480,UTP,bmse000295,1,169.0527,4.84
24481,UTP,bmse000295,2,154.6305,3.56
24482,UTP,bmse000295,3,144.4685,8.62
24483,UTP,bmse000295,4,105.3558,9.9
24484,UTP,bmse000295,5,90.9803,10.91
24485,UTP,bmse000295,6,86.0794,5.45
24486,UTP,bmse000295,7,85.9897,5.66
24487,UTP,bmse000295,8,76.4645,12.5
24488,UTP,bmse000295,9,72.1667,11.59
24489,UTP,bmse000295,10,67.5196,4.26
24490,UTP,bmse000295,11,67.4644,4.32
24491,UTP,bmse000295,12,60.1427,1.1
24492,dTMP,bmse000296,1,169.2356,1.23
24493,dTMP,bmse000296,2,160.5265,1.29
24494,dTMP,bmse000296,3,154.4333,1.31
24495,dTMP,bmse000296,4,140.1216,3.35
24496,dTMP,bmse000296,5,114.2982,2.37
24497,dTMP,bmse000296,6,88.3382,2.04
24498,dTMP,bmse000296,7,88.2519,1.87
24499,dTMP,bmse000296,8,87.8416,3.66
24500,dTMP,bmse000296,9,73.7576,4.03
24501,dTMP,bmse000296,10,69.7071,3.43
24502,dTMP,bmse000296,11,69.6331,3.39
24503,dTMP,bmse000296,12,68.674,6.88
24504,dTMP,bmse000296,13,67.0077,1.54
24505,dTMP,bmse000296,14,66.9519,1.6
24506,dTMP,bmse000296,15,57.1741,5.62
24507,dTMP,bmse000296,16,50.7174,6.42
24508,dTMP,bmse000296,17,47.4494,6.5
24509,dTMP,bmse000296,18,41.3959,3.4
24510,dTMP,bmse000296,19,35.6124,12.5
24511,dTMP,bmse000296,20,27.378,11.97
24512,dTMP,bmse000296,21,27.3297,7.39
24513,dTMP,bmse000296,22,14.3887,4.03
24514,Ethanol,bmse000297,1,60.1347,10.57
24515,Ethanol,bmse000297,2,19.4922,12.5
24516,D_Glyceraldehyde,bmse000298,1,92.4619,11.47
24517,D_Glyceraldehyde,bmse000298,2,76.7643,11.97
24518,D_Glyceraldehyde,bmse000298,3,67.5383,2.02
24519,D_Glyceraldehyde,bmse000298,4,64.6757,12.5
24520,Folate,bmse000299,1,185.1947,10.02
24521,Folate,bmse000299,2,182.1813,8.33
24522,Folate,bmse000299,3,171.6618,6.23
24523,Folate,bmse000299,4,167.4706,1.1
24524,Folate,bmse000299,5,156.8561,3.58
24525,Folate,bmse000299,6,154.9662,1.2
24526,Folate,bmse000299,7,152.4534,5.63
24527,Folate,bmse000299,8,150.9644,2.57
24528,Folate,bmse000299,9,150.4027,4.37
24529,Folate,bmse000299,10,131.6987,1.03
24530,Folate,bmse000299,11,131.3015,7.38
24531,Folate,bmse000299,12,129.0129,4.84
24532,Folate,bmse000299,13,123.0856,5.17
24533,Folate,bmse000299,14,113.9108,6.41
24534,Folate,bmse000299,15,58.6333,8.76
24535,Folate,bmse000299,16,47.4239,2.98
24536,Folate,bmse000299,17,37.0651,12.5
24537,Folate,bmse000299,18,31.1742,7.87
24538,Benzoate,bmse000300,1,138.9121,1.04
24539,Benzoate,bmse000300,2,133.9731,7.03
24540,Benzoate,bmse000300,3,131.4957,12.46
24541,Benzoate,bmse000300,4,131.0181,12.5