"1_3_diaminopropane","bmse000001",1,39.3182,12.5
"1_3_diaminopropane","bmse000001",2,27.6038,6.62
"2_3_diphospho_D_glyceric_acid","bmse000002",1,180.6244,6.14
"2_3_diphospho_D_glyceric_acid","bmse000002",2,77.8926,9.81
"2_3_diphospho_D_glyceric_acid","bmse000002",3,77.8397,8.95
"2_3_diphospho_D_glyceric_acid","bmse000002",4,77.8017,8.58
"2_3_diphospho_D_glyceric_acid","bmse000002",5,77.7593,8.04
"2_3_diphospho_D_glyceric_acid","bmse000002",6,69.2089,12.5
"2_deoxyguanosine","bmse000003",1,140.4376,7.32
"2_deoxyguanosine","bmse000003",2,89.8652,7.61
"2_deoxyguanosine","bmse000003",3,86.6745,9.57
"2_deoxyguanosine","bmse000003",4,73.9059,12.5
"2_deoxyguanosine","bmse000003",5,64.3305,8.45
"2_deoxyguanosine","bmse000003",6,41.3976,8.86
"adenine","bmse000060",1,153.1875,0.8
"adenine","bmse000060",2,151.829,1.02
"adenine","bmse000060",3,147.5748,11.47
"adenine","bmse000060",4,146.3944,12.5
"adenine","bmse000060",5,118.324,0.66
"adenosine","bmse000061",1,155.2065,8.59
"adenosine","bmse000061",2,151.091,3.13
"adenosine","bmse000061",3,143.2708,6.58
"adenosine","bmse000061",4,91.0332,10.74
"adenosine","bmse000061",5,88.5401,11.36
"adenosine","bmse000061",6,76.3929,12.5
"adenosine","bmse000061",7,73.3525,11.01
"adenosine","bmse000061",8,64.2162,10.03
"adenosine","bmse000061",9,133.0864,1.07
"adonitol","bmse000062",1,74.8925,6.76
"adonitol","bmse000062",2,74.8008,11.44
"adonitol","bmse000062",3,65.0705,12.5
"ADP","bmse000004",1,158.1533,6.68
"ADP","bmse000004",2,155.4207,12.01
"ADP","bmse000004",3,151.6456,1.97
"ADP","bmse000004",4,151.5495,1.81
"ADP","bmse000004",5,142.8127,2.95
"ADP","bmse000004",6,142.5832,3.64
"ADP","bmse000004",7,121.1747,1.72
"ADP","bmse000004",8,89.778,10.17
"ADP","bmse000004",9,89.5551,6.01
"ADP","bmse000004",10,87.4621,3.15
"ADP","bmse000004",11,87.3746,3.43
"ADP","bmse000004",12,86.4858,4.81
"ADP","bmse000004",13,86.3979,5.28
"ADP","bmse000004",14,77.2288,6.53
"ADP","bmse000004",15,77.0622,12.5
"ADP","bmse000004",16,73.4056,6.43
"ADP","bmse000004",17,72.6057,12.04
"ADP","bmse000004",18,67.1794,3.82
"ADP","bmse000004",19,67.1297,3.91
"ADP","bmse000004",20,66.2518,2.61
"ADP","bmse000004",21,66.2091,2.71
"agmatine","bmse000063",1,159.5178,1.15
"agmatine","bmse000063",2,43.1542,9.26
"agmatine","bmse000063",3,41.7324,8.53
"agmatine","bmse000063",4,27.7024,11.07
"agmatine","bmse000063",5,26.715,12.5
"D_allose","bmse000008",1,96.1036,10.7
"D_allose","bmse000008",2,95.5286,1.55
"D_allose","bmse000008",3,76.2932,11.82
"D_allose","bmse000008",4,74.3841,1.58
"D_allose","bmse000008",5,73.9304,11.03
"D_allose","bmse000008",6,73.8513,12.02
"D_allose","bmse000008",7,69.7109,1.21
"D_allose","bmse000008",8,69.5516,1.22
"D_allose","bmse000008",9,69.4757,12.5
"D_allose","bmse000008",10,68.7507,2.03
"D_allose","bmse000008",11,63.8517,10.79
"D_allose","bmse000008",12,63.3663,1.24
"D_fructose","bmse000010",1,100.7878,2.8
"D_fructose","bmse000010",2,83.3844,4
"D_fructose","bmse000010",3,78.7409,1.35
"D_fructose","bmse000010",4,78.0833,3.23
"D_fructose","bmse000010",5,77.1431,3.97
"D_fructose","bmse000010",6,72.3808,12.5
"D_fructose","bmse000010",7,71.9017,10.92
"D_fructose","bmse000010",8,70.2559,10.72
"D_fructose","bmse000010",9,66.587,11.06
"D_fructose","bmse000010",10,66.0735,12.1
"D_fructose","bmse000010",11,65.3682,3.85
"D_fructose","bmse000010",12,65.074,4.07
"D_galactose","bmse000013",1,99.1714,10.5
"D_galactose","bmse000013",2,94.9986,5.59
"D_galactose","bmse000013",3,77.8681,12.5
"D_galactose","bmse000013",4,75.5121,11.36
"D_galactose","bmse000013",5,74.5893,11.5
"D_galactose","bmse000013",6,73.1956,6.08
"D_galactose","bmse000013",7,72.0185,5.93
"D_galactose","bmse000013",8,71.879,5.94
"D_galactose","bmse000013",9,71.4595,12.5
"D_galactose","bmse000013",10,71.0589,5.22
"D_galactose","bmse000013",11,63.8951,5.64
"D_galactose","bmse000013",12,63.6909,11.96
"D_glucose","bmse000015",1,98.6177,12.18
"D_glucose","bmse000015",2,94.8017,7.46
"D_glucose","bmse000015",3,78.6602,12.5
"D_glucose","bmse000015",4,78.46,12.38
"D_glucose","bmse000015",5,76.8429,11.94
"D_glucose","bmse000015",6,75.4621,6.95
"D_glucose","bmse000015",7,74.1868,7.96
"D_glucose","bmse000015",8,74.1521,7.85
"D_glucose","bmse000015",9,72.3476,7.59
"D_glucose","bmse000015",10,72.3041,12.25
"D_glucose","bmse000015",11,63.4496,11.55
"D_glucose","bmse000015",12,63.2877,6.43
"D_mannose","bmse000018",1,96.747,10.66
"D_mannose","bmse000018",2,96.3827,5.27
"D_mannose","bmse000018",3,78.8753,4.9
"D_mannose","bmse000018",4,75.7486,5.48
"D_mannose","bmse000018",5,75.1093,11.15
"D_mannose","bmse000018",6,73.9252,5.51
"D_mannose","bmse000018",7,73.3921,10.59
"D_mannose","bmse000018",8,72.9329,10.68
"D_mannose","bmse000018",9,69.5495,10.82
"D_mannose","bmse000018",10,69.3058,5.88
"D_mannose","bmse000018",11,63.666,12.5
"D_psicose","bmse000020",1,105.9793,2.62
"D_psicose","bmse000020",2,101.1482,2.31
"D_psicose","bmse000020",3,85.4184,12.5
"D_psicose","bmse000020",4,77.3405,2.67
"D_psicose","bmse000020",5,74.437,5.54
"D_psicose","bmse000020",6,73.7152,3.61
"D_psicose","bmse000020",7,73.0555,10.59
"D_psicose","bmse000020",8,73.0326,11.16
"D_psicose","bmse000020",9,72.9119,5.49
"D_psicose","bmse000020",10,71.7174,6.08
"D_psicose","bmse000020",11,68.562,7.08
"D_psicose","bmse000020",12,68.1859,7.9
"D_psicose","bmse000020",13,67.7838,6.98
"D_psicose","bmse000020",14,66.8844,6.45
"D_psicose","bmse000020",15,66.6778,4.36
"D_psicose","bmse000020",16,65.9583,9.93
"D_psicose","bmse000020",17,65.7568,6.2
"D_psicose","bmse000020",18,65.5148,3.26
"D_psicose","bmse000020",19,65.0727,3.8
"D_psicose","bmse000020",20,64.029,7.13
"D_psicose","bmse000020",21,60.6736,5.34
"D_sorbose","bmse000022",1,100.4423,2.8
"D_sorbose","bmse000022",2,76.5308,8.63
"D_sorbose","bmse000022",3,73.0506,8.72
"D_sorbose","bmse000022",4,72.1197,12.5
"D_sorbose","bmse000022",5,66.1492,9.88
"D_sorbose","bmse000022",6,64.4696,11
"D_tagatose","bmse000023",1,100.9098,3.49
"D_tagatose","bmse000023",2,73.6229,12.5
"D_tagatose","bmse000023",3,72.484,10.38
"D_tagatose","bmse000023",4,71.9743,2.2
"D_tagatose","bmse000023",5,69.0595,10.53
"D_tagatose","bmse000023",6,66.5918,10.06
"D_tagatose","bmse000023",7,66.403,1.92
"D_tagatose","bmse000023",8,66.1917,1.73
"D_tagatose","bmse000023",9,64.9495,7.98
"D_tagatose","bmse000023",10,62.8345,1.69
"D_xylose","bmse000026",1,99.3304,11.78
"D_xylose","bmse000026",2,94.9405,6.48
"D_xylose","bmse000026",3,78.526,10.11
"D_xylose","bmse000026",4,76.7418,12.5
"D_xylose","bmse000026",5,75.5229,5.77
"D_xylose","bmse000026",6,74.1661,6.42
"D_xylose","bmse000026",7,72.1118,6.54
"D_xylose","bmse000026",8,71.9378,12.28
"D_xylose","bmse000026",9,67.899,10.25
"D_xylose","bmse000026",10,63.6456,5.21
"alpha_ketoglutaric_acid","bmse000064",1,184.1528,2.07
"alpha_ketoglutaric_acid","bmse000064",2,38.5723,12.5
"alpha_ketoglutaric_acid","bmse000064",3,33.3219,9.83
"alpha_lactose","bmse000065",1,105.6382,8.25
"alpha_lactose","bmse000065",2,98.4725,7.33
"alpha_lactose","bmse000065",3,94.539,4.05
"alpha_lactose","bmse000065",4,81.1636,3.89
"alpha_lactose","bmse000065",5,81.0377,6.84
"alpha_lactose","bmse000065",6,78.0734,12.5
"alpha_lactose","bmse000065",7,77.522,7.34
"alpha_lactose","bmse000065",8,77.0808,7.32
"alpha_lactose","bmse000065",9,76.5296,7.28
"alpha_lactose","bmse000065",10,75.2407,11.24
"alpha_lactose","bmse000065",11,74.1286,4.28
"alpha_lactose","bmse000065",12,73.8715,4.75
"alpha_lactose","bmse000065",13,73.6835,9.31
"alpha_lactose","bmse000065",14,72.8271,3.84
"alpha_lactose","bmse000065",15,71.272,8.2
"alpha_lactose","bmse000065",16,63.7524,7.27
"alpha_lactose","bmse000065",17,62.8108,4.95
"alpha_lactose","bmse000065",18,62.6765,3.11
"4_aminobenzoic_acid","bmse000066",1,133.5667,12.5
"4_aminobenzoic_acid","bmse000066",2,128.9442,1.1
"4_aminobenzoic_acid","bmse000066",3,117.8119,11.36
"AMP","bmse000005",1,158.1415,3.52
"AMP","bmse000005",2,155.4083,9.41
"AMP","bmse000005",3,151.6344,4.45
"AMP","bmse000005",4,142.8031,7.78
"AMP","bmse000005",5,121.1486,2.72
"AMP","bmse000005",6,89.5563,11.53
"AMP","bmse000005",7,87.4594,6.04
"AMP","bmse000005",8,87.3722,6.06
"AMP","bmse000005",9,77.2299,12.5
"AMP","bmse000005",10,73.4036,12.24
"AMP","bmse000005",11,66.25,4.83
"AMP","bmse000005",12,66.2055,5.13
"anthranilic_acid","bmse000067",1,150.2702,2.1
"anthranilic_acid","bmse000067",2,134.7227,10.28
"anthranilic_acid","bmse000067",3,133.6538,12.5
"anthranilic_acid","bmse000067",4,123.4956,1.99
"anthranilic_acid","bmse000067",5,120.6937,11.1
"anthranilic_acid","bmse000067",6,120.3926,11.42
"L_arabitol","bmse000068",1,73.609,12.5
"L_arabitol","bmse000068",2,73.1399,11.93
"L_arabitol","bmse000068",3,72.9514,12.49
"L_arabitol","bmse000068",4,65.7296,10.81
"L_arabitol","bmse000068",5,65.6383,9.86
"ATP","bmse000006",1,158.2621,4.05
"ATP","bmse000006",2,155.4997,9.32
"ATP","bmse000006",3,151.7848,3.62
"ATP","bmse000006",4,142.6155,7.12
"ATP","bmse000006",5,121.2616,2.51
"ATP","bmse000006",6,89.3634,10.94
"ATP","bmse000006",7,86.7432,5.75
"ATP","bmse000006",8,86.6543,5.65
"ATP","bmse000006",9,76.9481,12.5
"ATP","bmse000006",10,72.9427,11.75
"ATP","bmse000006",11,67.8017,4.32
"ATP","bmse000006",12,67.7473,4.42
"betaine","bmse000069",1,171.9654,1.21
"betaine","bmse000069",2,68.893,3.07
"betaine","bmse000069",3,68.8587,3.29
"betaine","bmse000069",4,68.8297,3.27
"betaine","bmse000069",5,56.0898,10.14
"betaine","bmse000069",6,56.0509,12.5
"betaine","bmse000069",7,56.0118,10.21
"betaine_aldehyde","bmse000070",1,87.5694,9.74
"betaine_aldehyde","bmse000070",2,56.9587,10.45
"betaine_aldehyde","bmse000070",3,56.9195,12.5
"betaine_aldehyde","bmse000070",4,56.8886,11.17
"cadaverine","bmse000072",1,41.871,11.66
"cadaverine","bmse000072",2,28.9617,12.5
"cadaverine","bmse000072",3,25.3762,5.64
"cAMP","bmse000071",1,158.0318,4.3
"cAMP","bmse000071",2,155.524,10.63
"cAMP","bmse000071",3,150.7719,4.62
"cAMP","bmse000071",4,142.3466,9.68
"cAMP","bmse000071",5,121.2041,3.29
"cAMP","bmse000071",6,94.2109,12.5
"cAMP","bmse000071",7,80.0206,6.2
"cAMP","bmse000071",8,79.9754,6.98
"cAMP","bmse000071",9,75.0214,7.05
"cAMP","bmse000071",10,74.9418,7.25
"cAMP","bmse000071",11,74.463,6.46
"cAMP","bmse000071",12,70.0836,5.58
"cAMP","bmse000071",13,70.0142,5.05
"L_canavanine","bmse000073",1,177.0117,3.9
"L_canavanine","bmse000073",2,161.2671,2
"L_canavanine","bmse000073",3,74.5403,11.99
"L_canavanine","bmse000073",4,55.2855,12.02
"L_canavanine","bmse000073",5,31.809,12.5
"D_carnitine","bmse000074",1,180.7779,2.25
"D_carnitine","bmse000074",2,72.8193,4.47
"D_carnitine","bmse000074",3,72.7942,3.83
"D_carnitine","bmse000074",4,66.791,9.37
"D_carnitine","bmse000074",5,56.8328,10.48
"D_carnitine","bmse000074",6,56.7941,12.5
"D_carnitine","bmse000074",7,56.7554,10.44
"D_carnitine","bmse000074",8,45.6802,6.79
"chorismic_acid","bmse000075",1,155.9825,4.51
"chorismic_acid","bmse000075",2,137.1007,3.63
"chorismic_acid","bmse000075",3,132.6303,11.7
"chorismic_acid","bmse000075",4,131.7674,9.54
"chorismic_acid","bmse000075",5,126.7891,9.9
"chorismic_acid","bmse000075",6,95.5643,8.84
"chorismic_acid","bmse000075",7,82.3153,12.5
"chorismic_acid","bmse000075",8,72.8256,12.45
"citrate","bmse000076",1,184.7215,1.13
"citrate","bmse000076",2,182.0353,2.11
"citrate","bmse000076",3,77.9249,1.44
"citrate","bmse000076",4,48.4023,12.5
"coumarin","bmse000077",1,163.4646,0.72
"coumarin","bmse000077",2,156.7265,1.12
"coumarin","bmse000077",3,146.1206,6.54
"coumarin","bmse000077",4,134.5133,12.5
"coumarin","bmse000077",5,130.5441,8.87
"coumarin","bmse000077",6,127.1083,11.93
"coumarin","bmse000077",7,121.5098,1.08
"coumarin","bmse000077",8,119.5804,6.82
"coumarin","bmse000077",9,119.3784,7.14
"creatine","bmse000078",1,177.3494,1.87
"creatine","bmse000078",2,56.549,12.5
"creatine","bmse000078",3,39.6249,7.16
"creatine_phosphate","bmse000079",1,177.5977,1.69
"creatine_phosphate","bmse000079",2,56.5658,12.5
"creatine_phosphate","bmse000079",3,39.5149,7.02
"dehydro_proline","bmse000080",1,174.9837,1.15
"dehydro_proline","bmse000080",2,128.3998,11.9
"dehydro_proline","bmse000080",3,128.1163,10.28
"dehydro_proline","bmse000080",4,71.129,8.12
"dehydro_proline","bmse000080",5,55.1054,12.5
"D_3_phosphoglyceric_acid","bmse000007",1,181.5589,4.18
"D_3_phosphoglyceric_acid","bmse000007",2,75.6758,11.64
"D_3_phosphoglyceric_acid","bmse000007",3,75.5997,9.71
"D_3_phosphoglyceric_acid","bmse000007",4,69.5144,10.45
"D_3_phosphoglyceric_acid","bmse000007",5,69.4639,12.5
"D_fructose_1_6_bisphosphate","bmse000011",1,107.7441,1.24
"D_fructose_1_6_bisphosphate","bmse000011",2,107.6859,1.45
"D_fructose_1_6_bisphosphate","bmse000011",3,103.7998,2.79
"D_fructose_1_6_bisphosphate","bmse000011",4,103.7169,2.58
"D_fructose_1_6_bisphosphate","bmse000011",5,84.7524,1.84
"D_fructose_1_6_bisphosphate","bmse000011",6,84.6734,1.8
"D_fructose_1_6_bisphosphate","bmse000011",7,84.1618,3.88
"D_fructose_1_6_bisphosphate","bmse000011",8,82.4331,4.33
"D_fructose_1_6_bisphosphate","bmse000011",9,82.3517,4.54
"D_fructose_1_6_bisphosphate","bmse000011",10,79.436,3.58
"D_fructose_1_6_bisphosphate","bmse000011",11,78.4857,12.5
"D_fructose_1_6_bisphosphate","bmse000011",12,76.8309,8.44
"D_fructose_1_6_bisphosphate","bmse000011",13,68.3534,4.96
"D_fructose_1_6_bisphosphate","bmse000011",14,67.3714,1.78
"D_fructose_1_6_bisphosphate","bmse000011",15,67.0519,6.07
"D_fructose_1_6_bisphosphate","bmse000011",16,67.0078,5.96
"D_fructose_1_6_bisphosphate","bmse000011",17,66.9036,2.2
"D_fructose_1_6_bisphosphate","bmse000011",18,66.8591,2.2
"D_fructose_6_phosphate","bmse000012",1,107.1352,1.18
"D_fructose_6_phosphate","bmse000012",2,104.1799,5.96
"D_fructose_6_phosphate","bmse000012",3,84.4579,2.69
"D_fructose_6_phosphate","bmse000012",4,83.1582,1.38
"D_fructose_6_phosphate","bmse000012",5,83.081,1.12
"D_fructose_6_phosphate","bmse000012",6,82.6592,6.1
"D_fructose_6_phosphate","bmse000012",7,82.5783,5.8
"D_fructose_6_phosphate","bmse000012",8,78.536,2.85
"D_fructose_6_phosphate","bmse000012",9,77.8697,12.5
"D_fructose_6_phosphate","bmse000012",10,77.0604,11.73
"D_fructose_6_phosphate","bmse000012",11,67.0498,5.65
"D_fructose_6_phosphate","bmse000012",12,67.0041,5.36
"D_fructose_6_phosphate","bmse000012",13,66.1661,1.42
"D_fructose_6_phosphate","bmse000012",14,65.5593,2.38
"D_fructose_6_phosphate","bmse000012",15,65.331,9.82
"D_glucosamine","bmse000014",1,96.4205,8.72
"D_glucosamine","bmse000014",2,92.2506,9.77
"D_glucosamine","bmse000014",3,78.8513,9.64
"D_glucosamine","bmse000014",4,75.5831,6.35
"D_glucosamine","bmse000014",5,74.3295,12.27
"D_glucosamine","bmse000014",6,72.756,10.13
"D_glucosamine","bmse000014",7,72.4003,6.63
"D_glucosamine","bmse000014",8,72.3164,12.5
"D_glucosamine","bmse000014",9,63.2588,6.09
"D_glucosamine","bmse000014",10,63.0618,8.38
"D_glucosamine","bmse000014",11,59.6201,8.02
"D_glucosamine","bmse000014",12,57.0959,11.82
"D_glucose_6_phosphate","bmse000016",1,98.7788,8.55
"D_glucose_6_phosphate","bmse000016",2,94.9276,4.89
"D_glucose_6_phosphate","bmse000016",3,78.1764,4.82
"D_glucose_6_phosphate","bmse000016",4,78.106,3.56
"D_glucose_6_phosphate","bmse000016",5,77.9455,6.69
"D_glucose_6_phosphate","bmse000016",6,76.9831,9.41
"D_glucose_6_phosphate","bmse000016",7,75.0341,3.92
"D_glucose_6_phosphate","bmse000016",8,74.314,4.27
"D_glucose_6_phosphate","bmse000016",9,73.8171,2.12
"D_glucose_6_phosphate","bmse000016",10,73.7484,2.83
"D_glucose_6_phosphate","bmse000016",11,71.7635,12.5
"D_glucose_6_phosphate","bmse000016",12,65.5737,3.84
"D_glucose_6_phosphate","bmse000016",13,65.5308,3.24
"D_glucose_6_phosphate","bmse000016",14,65.4799,2.31
"D_maltose","bmse000017",1,102.3099,6.16
"D_maltose","bmse000017",2,102.2275,9.38
"D_maltose","bmse000017",3,98.4704,10.34
"D_maltose","bmse000017",4,94.5912,6.33
"D_maltose","bmse000017",5,79.5285,5.17
"D_maltose","bmse000017",6,79.3217,8.47
"D_maltose","bmse000017",7,78.9276,9.15
"D_maltose","bmse000017",8,77.2648,10.83
"D_maltose","bmse000017",9,76.7045,8.61
"D_maltose","bmse000017",10,75.9471,5.48
"D_maltose","bmse000017",11,75.5584,7.84
"D_maltose","bmse000017",12,75.5345,10.55
"D_maltose","bmse000017",13,75.3859,9.92
"D_maltose","bmse000017",14,74.4492,5.89
"D_maltose","bmse000017",15,74.3558,8.17
"D_maltose","bmse000017",16,73.9924,5.77
"D_maltose","bmse000017",17,72.6486,6.16
"D_maltose","bmse000017",18,72.0198,8.44
"D_maltose","bmse000017",19,63.4361,6.09
"D_maltose","bmse000017",20,63.2871,4.41
"D_maltose","bmse000017",21,63.1596,12.5
"D_ornithine","bmse000019",1,56.8208,12.5
"D_ornithine","bmse000019",2,41.5722,10.12
"D_ornithine","bmse000019",3,30.1825,12.11
"D_ornithine","bmse000019",4,25.4604,8.77
"D_threo_isocitric_acid","bmse000025",1,183.683,6.79
"D_threo_isocitric_acid","bmse000025",2,182.958,3.11
"D_threo_isocitric_acid","bmse000025",3,76.3916,11.16
"D_threo_isocitric_acid","bmse000025",4,51.8047,12.5
"D_threo_isocitric_acid","bmse000025",5,40.3285,10.98
"D_xylulose","bmse000027",1,108.4502,1.01
"D_xylulose","bmse000027",2,105.6511,3.08
"D_xylulose","bmse000027",3,83.18,3.1
"D_xylulose","bmse000027",4,78.9065,11.61
"D_xylulose","bmse000027",5,78.5426,3.96
"D_xylulose","bmse000027",6,78.011,2.93
"D_xylulose","bmse000027",7,77.5565,9.89
"D_xylulose","bmse000027",8,74.6749,2.45
"D_xylulose","bmse000027",9,74.6163,2.47
"D_xylulose","bmse000027",10,72.5201,10.76
"D_xylulose","bmse000027",11,68.7345,3.03
"D_xylulose","bmse000027",12,65.6799,12.5
"D_xylulose","bmse000027",13,65.1062,3.07
"D_xylulose","bmse000027",14,64.5556,3.06
"fumaric_acid","bmse000083",1,177.424,1.91
"fumaric_acid","bmse000083",2,138.042,12.5
"gluconic_acid","bmse000084",1,181.3386,1.89
"gluconic_acid","bmse000084",2,76.7743,10.33
"gluconic_acid","bmse000084",3,75.2613,9.8
"gluconic_acid","bmse000084",4,73.8705,12.36
"gluconic_acid","bmse000084",5,73.6525,10.2
"gluconic_acid","bmse000084",6,65.308,12.5
"alpha_D_glucose_1_phosphate","bmse000086",1,96.3867,5.99
"alpha_D_glucose_1_phosphate","bmse000086",2,96.3335,6.2
"alpha_D_glucose_1_phosphate","bmse000086",3,75.8391,10.34
"alpha_D_glucose_1_phosphate","bmse000086",4,74.9392,5.94
"alpha_D_glucose_1_phosphate","bmse000086",5,74.871,6.51
"alpha_D_glucose_1_phosphate","bmse000086",6,74.7037,12.5
"alpha_D_glucose_1_phosphate","bmse000086",7,72.4482,11.49
"alpha_D_glucose_1_phosphate","bmse000086",8,63.3999,9.58
"alpha_D_glucose_1_6_bisphosphate","bmse000087",1,96.6014,6.13
"alpha_D_glucose_1_6_bisphosphate","bmse000087",2,96.5465,7.96
"alpha_D_glucose_1_6_bisphosphate","bmse000087",3,75.3449,11.03
"alpha_D_glucose_1_6_bisphosphate","bmse000087",4,75.0612,6.57
"alpha_D_glucose_1_6_bisphosphate","bmse000087",5,74.9873,7.68
"alpha_D_glucose_1_6_bisphosphate","bmse000087",6,74.3802,6.65
"alpha_D_glucose_1_6_bisphosphate","bmse000087",7,74.317,7.4
"alpha_D_glucose_1_6_bisphosphate","bmse000087",8,71.5781,12.5
"alpha_D_glucose_1_6_bisphosphate","bmse000087",9,65.3993,4.84
"alpha_D_glucose_1_6_bisphosphate","bmse000087",10,65.3536,5.06
"glycine","bmse000089",1,175.1557,1.97
"glycine","bmse000089",2,44.1252,12.5
"guanine","bmse000090",1,170.3632,9.04
"guanine","bmse000090",2,163.6535,12.5
"guanine","bmse000090",3,161.8796,11.9
"guanine","bmse000090",4,120.9619,9.12
"guanosine","bmse000091",1,170.5025,1.71
"guanosine","bmse000091",2,163.3657,1.47
"guanosine","bmse000091",3,153.5645,2.67
"guanosine","bmse000091",4,139.3656,9.14
"guanosine","bmse000091",5,121.0084,1.46
"guanosine","bmse000091",6,90.841,11.95
"guanosine","bmse000091",7,88.5938,12.21
"guanosine","bmse000091",8,75.8197,12.21
"guanosine","bmse000091",9,73.7609,12.5
"guanosine","bmse000091",10,64.5009,9.96
"4_hydroxybenzoic_acid","bmse000092",1,161.2131,1.26
"4_hydroxybenzoic_acid","bmse000092",2,133.942,12.5
"4_hydroxybenzoic_acid","bmse000092",3,130.8287,1.62
"4_hydroxybenzoic_acid","bmse000092",4,117.592,10.22
"trans_3_hydroxycinnamic_acid","bmse000093",1,178.4192,2.27
"trans_3_hydroxycinnamic_acid","bmse000093",2,158.5422,3.6
"trans_3_hydroxycinnamic_acid","bmse000093",3,143.1901,8.95
"trans_3_hydroxycinnamic_acid","bmse000093",4,139.6042,3.48
"trans_3_hydroxycinnamic_acid","bmse000093",5,133.0298,11.46
"trans_3_hydroxycinnamic_acid","bmse000093",6,127.174,8.41
"trans_3_hydroxycinnamic_acid","bmse000093",7,122.9365,12.5
"trans_3_hydroxycinnamic_acid","bmse000093",8,119.3249,10.36
"trans_3_hydroxycinnamic_acid","bmse000093",9,116.6163,10.36
"hypoxanthine","bmse000094",1,164.9523,1.17
"hypoxanthine","bmse000094",2,159.7264,2.08
"hypoxanthine","bmse000094",3,150.37,10.69
"hypoxanthine","bmse000094",4,149.1756,12.5
"hypoxanthine","bmse000094",5,123.2364,1.06
"imidazole","bmse000096",1,137.7708,3.03
"imidazole","bmse000096",2,123.4233,12.5
"indole","bmse000097",1,138.3981,1.25
"indole","bmse000097",2,130.4755,1.24
"indole","bmse000097",3,126.7831,8.65
"indole","bmse000097",4,124.6229,12.5
"indole","bmse000097",5,123.3758,10.66
"indole","bmse000097",6,122.4493,10.48
"indole","bmse000097",7,113.6756,9.74
"indole","bmse000097",8,105.2378,11.58
"inosine","bmse000098",1,151.078,2.3
"inosine","bmse000098",2,148.9185,8.98
"inosine","bmse000098",3,142.8874,7.4
"inosine","bmse000098",4,126.8411,1.65
"inosine","bmse000098",5,91.1086,8.08
"inosine","bmse000098",6,88.2694,11.43
"inosine","bmse000098",7,76.7759,12.5
"inosine","bmse000098",8,73.0828,10.32
"inosine","bmse000098",9,64.0173,8.72
"i_erythritol","bmse000095",1,74.6148,12.5
"i_erythritol","bmse000095",2,65.3077,8.45
"L_alanine","bmse000028",1,178.5574,1.16
"L_alanine","bmse000028",2,53.2035,9.48
"L_alanine","bmse000028",3,18.8465,12.5
"L_arginine","bmse000029",1,177.2125,3.21
"L_arginine","bmse000029",2,57.0216,10.14
"L_arginine","bmse000029",3,43.2011,12.5
"L_arginine","bmse000029",4,30.2885,11.19
"L_arginine","bmse000029",5,26.5758,9.54
"L_asparagine","bmse000030",1,177.1771,1.47
"L_asparagine","bmse000030",2,176.209,1.94
"L_asparagine","bmse000030",3,53.9932,12.5
"L_asparagine","bmse000030",4,37.2983,11.26
"L_aspartic_acid","bmse000031",1,180.297,3.41
"L_aspartic_acid","bmse000031",2,176.9954,2.67
"L_aspartic_acid","bmse000031",3,54.9142,11.68
"L_aspartic_acid","bmse000031",4,39.2604,12.5
"L_citrulline","bmse000032",1,177.3878,3.15
"L_citrulline","bmse000032",2,164.2805,1.25
"L_citrulline","bmse000032",3,57.2048,11.84
"L_citrulline","bmse000032",4,41.9551,1.88
"L_citrulline","bmse000032",5,30.4444,12.5
"L_citrulline","bmse000032",6,27.6682,7.93
"L_cystathionine","bmse000033",1,56.4392,8
"L_cystathionine","bmse000033",2,56.2614,10.81
"L_cystathionine","bmse000033",3,34.8058,9.84
"L_cystathionine","bmse000033",4,32.8913,9.2
"L_cystathionine","bmse000033",5,29.7625,12.5
"L_cysteine","bmse000034",1,58.731,9.48
"L_cysteine","bmse000034",2,27.687,12.5
"L_cystine","bmse000035",1,183.331,3.03
"L_cystine","bmse000035",2,57.5783,12.5
"L_cystine","bmse000035",3,46.0281,10.99
"L_fucose","bmse000036",1,98.936,11.78
"L_fucose","bmse000036",2,94.9206,4.76
"L_fucose","bmse000036",3,75.6252,9.59
"L_fucose","bmse000036",4,74.6014,4.86
"L_fucose","bmse000036",5,74.3627,10.92
"L_fucose","bmse000036",6,74.1543,8.8
"L_fucose","bmse000036",7,73.586,9.85
"L_fucose","bmse000036",8,71.9701,4.6
"L_fucose","bmse000036",9,70.7832,3.67
"L_fucose","bmse000036",10,69.0314,4.4
"L_fucose","bmse000036",11,18.2232,12.5
"L_glutamic_acid","bmse000037",1,184.0438,2.16
"L_glutamic_acid","bmse000037",2,177.297,1.79
"L_glutamic_acid","bmse000037",3,57.3356,12.29
"L_glutamic_acid","bmse000037",4,36.1753,9.58
"L_glutamic_acid","bmse000037",5,29.6742,12.5
"L_glutamine","bmse000038",1,180.3694,1.86
"L_glutamine","bmse000038",2,176.8264,2.47
"L_glutamine","bmse000038",3,56.8326,9.96
"L_glutamine","bmse000038",4,33.528,10.99
"L_glutamine","bmse000038",5,28.9528,12.5
"L_histidine","bmse000039",1,176.6511,1.83
"L_histidine","bmse000039",2,138.9728,9.16
"L_histidine","bmse000039",3,134.6686,2.25
"L_histidine","bmse000039",4,119.5492,8.47
"L_histidine","bmse000039",5,57.4737,12.5
"L_histidine","bmse000039",6,30.7804,11.71
"L_homoserine","bmse000040",1,177.2374,1.7
"L_homoserine","bmse000040",2,61.3363,12.5
"L_homoserine","bmse000040",3,56.0719,8.39
"L_homoserine","bmse000040",4,34.8823,11.17
"L_isoleucine","bmse000041",1,176.9223,1.89
"L_isoleucine","bmse000041",2,62.2493,12.5
"L_isoleucine","bmse000041",3,38.5957,9.56
"L_isoleucine","bmse000041",4,27.1531,12.15
"L_isoleucine","bmse000041",5,17.3893,8.4
"L_isoleucine","bmse000041",6,13.8035,7.76
"L_leucine","bmse000042",1,178.3284,2.9
"L_leucine","bmse000042",2,56.1175,11.06
"L_leucine","bmse000042",3,42.5151,11.41
"L_leucine","bmse000042",4,26.8579,12.5
"L_leucine","bmse000042",5,24.7283,9.43
"L_leucine","bmse000042",6,23.5808,12.45
"L_lysine","bmse000043",1,177.4077,2.58
"L_lysine","bmse000043",2,57.1969,9.77
"L_lysine","bmse000043",3,41.7595,10.04
"L_lysine","bmse000043",4,32.6068,10.59
"L_lysine","bmse000043",5,29.1125,12.5
"L_lysine","bmse000043",6,24.1325,10.95
"malic_acid","bmse000046",1,183.7669,2.25
"malic_acid","bmse000046",2,182.5706,2
"malic_acid","bmse000046",3,73.0495,9.52
"malic_acid","bmse000046",4,45.3174,12.5
"L_methionine","bmse000044",1,177.0256,1.63
"L_methionine","bmse000044",2,56.5949,11.7
"L_methionine","bmse000044",3,32.3948,11.02
"L_methionine","bmse000044",4,31.5117,12.5
"L_methionine","bmse000044",5,16.6207,5.66
"L_phenylalanine","bmse000045",1,137.8245,2.32
"L_phenylalanine","bmse000045",2,132.08,12.5
"L_phenylalanine","bmse000045",3,131.8234,9.6
"L_phenylalanine","bmse000045",4,130.4017,5.37
"L_phenylalanine","bmse000045",5,58.7477,5.25
"L_phenylalanine","bmse000045",6,39.0993,5.55
"L_proline","bmse000047",1,177.4144,1.3
"L_proline","bmse000047",2,63.9229,11.05
"L_proline","bmse000047",3,48.7631,9.32
"L_proline","bmse000047",4,31.6863,12.5
"L_proline","bmse000047",5,26.4548,9.6
"L_serine","bmse000048",1,62.8928,12.5
"L_serine","bmse000048",2,59.0815,8.62
"L_threonine","bmse000049",1,175.6411,1.16
"L_threonine","bmse000049",2,68.6408,12.03
"L_threonine","bmse000049",3,63.1368,12.5
"L_threonine","bmse000049",4,22.1352,12.2
"L_tryptophan","bmse000050",1,177.255,2.71
"L_tryptophan","bmse000050",2,139.0401,1.59
"L_tryptophan","bmse000050",3,129.3512,1.89
"L_tryptophan","bmse000050",4,127.7463,10.84
"L_tryptophan","bmse000050",5,124.8346,12.27
"L_tryptophan","bmse000050",6,122.1638,12.5
"L_tryptophan","bmse000050",7,121.1566,12.38
"L_tryptophan","bmse000050",8,114.6587,10.23
"L_tryptophan","bmse000050",9,110.1782,4.04
"L_tryptophan","bmse000050",10,57.7537,11.28
"L_tryptophan","bmse000050",11,29.1016,11.57
"L_tyrosine","bmse000051",1,184.1279,1.35
"L_tyrosine","bmse000051",2,163.7886,1.13
"L_tyrosine","bmse000051",3,133.3998,10.61
"L_tyrosine","bmse000051",4,128.0459,2.21
"L_tyrosine","bmse000051",5,120.2955,12.5
"L_tyrosine","bmse000051",6,60.0412,5.12
"L_tyrosine","bmse000051",7,41.8233,4.45
"L_valine","bmse000052",1,63.0706,10.1
"L_valine","bmse000052",2,31.7958,11.73
"L_valine","bmse000052",3,20.6547,12.29
"L_valine","bmse000052",4,19.3267,12.5
"D_mannitol","bmse000099",1,73.4901,12.5
"D_mannitol","bmse000099",2,71.9258,8.62
"D_mannitol","bmse000099",3,65.9197,11.81
"meso_erythritol","bmse000100",1,74.6159,12.5
"meso_erythritol","bmse000100",2,65.309,8.37
"methyl_oxobutanoic_acid","bmse000101",1,39.7045,5.48
"methyl_oxobutanoic_acid","bmse000101",2,19.0607,12.5
"muco_inositol","bmse000102",1,75.0137,6.8
"muco_inositol","bmse000102",2,72.8728,12.5
"myo_inositol","bmse000103",1,77.0519,5.9
"myo_inositol","bmse000103",2,75.1054,12.5
"myo_inositol","bmse000103",3,74.8867,4.4
"myo_inositol","bmse000103",4,73.8316,10.8
"NAD","bmse000053",1,167.8653,3.69
"NAD","bmse000053",2,158.0181,4.21
"NAD","bmse000053",3,155.468,8.5
"NAD","bmse000053",4,151.5966,5.8
"NAD","bmse000053",5,148.4441,6.77
"NAD","bmse000053",6,145.0618,5.64
"NAD","bmse000053",7,142.6338,5.11
"NAD","bmse000053",8,142.3914,7.13
"NAD","bmse000053",9,136.3277,6.28
"NAD","bmse000053",10,131.3233,7.72
"NAD","bmse000053",11,121.0165,3.15
"NAD","bmse000053",12,102.7367,9.04
"NAD","bmse000053",13,89.7361,5.45
"NAD","bmse000053",14,89.6488,5.15
"NAD","bmse000053",15,89.3547,10.54
"NAD","bmse000053",16,86.5859,5.25
"NAD","bmse000053",17,86.4979,5.24
"NAD","bmse000053",18,80.3065,12.5
"NAD","bmse000053",19,76.6526,12.24
"NAD","bmse000053",20,73.2929,11.75
"NAD","bmse000053",21,73.0829,11.48
"NAD","bmse000053",22,68.1579,4.36
"NAD","bmse000053",23,68.1059,4.27
"NAD","bmse000053",24,67.6491,4.7
"NAD","bmse000053",25,67.5973,4.24
"NADH","bmse000054",1,175.3474,5.48
"NADH","bmse000054",2,158.1968,4.24
"NADH","bmse000054",3,155.4171,8.83
"NADH","bmse000054",4,151.5844,5.71
"NADH","bmse000054",5,142.3515,6.8
"NADH","bmse000054",6,141.1257,9.71
"NADH","bmse000054",7,126.4094,7.79
"NADH","bmse000054",8,121.2963,4.16
"NADH","bmse000054",9,108.0387,9.52
"NADH","bmse000054",10,102.5371,7.01
"NADH","bmse000054",11,97.7448,9.22
"NADH","bmse000054",12,89.7936,11.06
"NADH","bmse000054",13,86.3582,5.51
"NADH","bmse000054",14,85.0981,5.6
"NADH","bmse000054",15,77.2518,12.23
"NADH","bmse000054",16,73.4643,12.14
"NADH","bmse000054",17,73.2824,12.5
"NADH","bmse000054",18,72.9239,9.04
"NADH","bmse000054",19,68.6321,4.65
"NADH","bmse000054",20,67.8556,4.52
"NADH","bmse000054",21,24.5551,8.23
"NADH","bmse000054",22,19.5029,3.45
"NADPH","bmse000055",1,175.4549,3.91
"NADPH","bmse000055",2,158.2562,4.4
"NADPH","bmse000055",3,155.3726,8.4
"NADPH","bmse000055",4,151.6612,4.78
"NADPH","bmse000055",5,142.7666,6.52
"NADPH","bmse000055",6,141.0746,8.37
"NADPH","bmse000055",7,126.4637,8.6
"NADPH","bmse000055",8,108.0154,8.41
"NADPH","bmse000055",9,102.5834,6.37
"NADPH","bmse000055",10,97.6847,9.4
"NADPH","bmse000055",11,89.5671,4.71
"NADPH","bmse000055",12,89.4832,4.7
"NADPH","bmse000055",13,85.6232,4.52
"NADPH","bmse000055",14,85.136,4.45
"NADPH","bmse000055",15,79.2632,4.94
"NADPH","bmse000055",16,73.4756,12.5
"NADPH","bmse000055",17,73.324,11.5
"NADPH","bmse000055",18,72.7309,8.21
"NADPH","bmse000055",19,68.5416,4.39
"NADPH","bmse000055",20,67.9571,5.25
"NADPH","bmse000055",21,24.6213,6.74
"niacin","bmse000104",1,176.0593,0.88
"niacin","bmse000104",2,153.1473,12.5
"niacin","bmse000104",3,151.7346,9.43
"niacin","bmse000104",4,140.3918,11.16
"niacin","bmse000104",5,135.0395,2.37
"niacin","bmse000104",6,126.6461,10.94
"nicotine","bmse000105",1,152.9553,11.86
"nicotine","bmse000105",2,151.8079,8.39
"nicotine","bmse000105",3,139.9786,11.24
"nicotine","bmse000105",4,132.2848,2.82
"nicotine","bmse000105",5,127.6138,11.08
"nicotine","bmse000105",6,72.3903,8.23
"nicotine","bmse000105",7,58.7754,9.8
"nicotine","bmse000105",8,40.9138,11.41
"nicotine","bmse000105",9,33.0757,8.96
"nicotine","bmse000105",10,24.2203,12.5
"N_acetylneuraminic_acid","bmse000057",1,179.4931,2.99
"N_acetylneuraminic_acid","bmse000057",2,177.4691,5.36
"N_acetylneuraminic_acid","bmse000057",3,99.1066,6.81
"N_acetylneuraminic_acid","bmse000057",4,73.0136,10.35
"N_acetylneuraminic_acid","bmse000057",5,72.9084,11.02
"N_acetylneuraminic_acid","bmse000057",6,71.2583,9.48
"N_acetylneuraminic_acid","bmse000057",7,70.0063,10.08
"N_acetylneuraminic_acid","bmse000057",8,66.0063,10.13
"N_acetylneuraminic_acid","bmse000057",9,54.9693,12.5
"N_acetylneuraminic_acid","bmse000057",10,42.0905,8.84
"N_acetylneuraminic_acid","bmse000057",11,24.8195,11.34
"N_acetyl_D_mannosamine","bmse000056",1,178.4248,1.93
"N_acetyl_D_mannosamine","bmse000056",2,177.4968,2.6
"N_acetyl_D_mannosamine","bmse000056",3,95.8209,8.31
"N_acetyl_D_mannosamine","bmse000056",4,95.688,9.13
"N_acetyl_D_mannosamine","bmse000056",5,79.0399,10.23
"N_acetyl_D_mannosamine","bmse000056",6,74.7525,9.08
"N_acetyl_D_mannosamine","bmse000056",7,74.6939,8.91
"N_acetyl_D_mannosamine","bmse000056",8,71.5593,11.26
"N_acetyl_D_mannosamine","bmse000056",9,69.4618,11.11
"N_acetyl_D_mannosamine","bmse000056",10,69.1894,8.23
"N_acetyl_D_mannosamine","bmse000056",11,63.0714,12.5
"N_acetyl_D_mannosamine","bmse000056",12,56.7834,6.76
"N_acetyl_D_mannosamine","bmse000056",13,55.9143,11.74
"N_acetyl_D_mannosamine","bmse000056",14,24.7467,6.42
"N_acetyl_D_mannosamine","bmse000056",15,24.6103,7.83
"oxalate","bmse000106",1,176.1386,12.5
"O_succinyl_L_homoserine","bmse000058",1,183.8863,2.56
"O_succinyl_L_homoserine","bmse000058",2,178.3647,2.14
"O_succinyl_L_homoserine","bmse000058",3,176.7702,2.64
"O_succinyl_L_homoserine","bmse000058",4,64.4599,9.53
"O_succinyl_L_homoserine","bmse000058",5,55.5165,8.79
"O_succinyl_L_homoserine","bmse000058",6,35.6935,1.47
"O_succinyl_L_homoserine","bmse000058",7,34.6435,11.39
"O_succinyl_L_homoserine","bmse000058",8,33.1998,12.5
"O_succinyl_L_homoserine","bmse000058",9,32.0477,7.9
"phosphoenolpyruvic_acid","bmse000107",1,152.4983,4.37
"phosphoenolpyruvic_acid","bmse000107",2,152.4267,2.42
"phosphoenolpyruvic_acid","bmse000107",3,102.8677,10.91
"phosphoenolpyruvic_acid","bmse000107",4,102.8401,12.5
"prephenic_acid","bmse000108",1,134.012,12.19
"prephenic_acid","bmse000108",2,130.3553,12.5
"prephenic_acid","bmse000108",3,64.0727,7.77
"prephenic_acid","bmse000108",4,51.2462,2.5
"prephenic_acid","bmse000108",5,50.6545,5.86
"putrescine","bmse000109",1,41.551,11.73
"putrescine","bmse000109",2,26.5984,12.5
"pyridoxal","bmse000110",1,161.5671,1.78
"pyridoxal","bmse000110",2,148.0785,2.3
"pyridoxal","bmse000110",3,140.9568,3.28
"pyridoxal","bmse000110",4,139.5279,4.52
"pyridoxal","bmse000110",5,120.0727,6.07
"pyridoxal","bmse000110",6,102.0212,10.48
"pyridoxal","bmse000110",7,72.5072,12.5
"pyridoxal","bmse000110",8,17.5108,7.09
"pyridoxal_5_phosphate","bmse000111",1,198.7901,4.06
"pyridoxal_5_phosphate","bmse000111",2,154.2739,7.56
"pyridoxal_5_phosphate","bmse000111",3,139.0553,2.73
"pyridoxal_5_phosphate","bmse000111",4,138.9802,2.7
"pyridoxal_5_phosphate","bmse000111",5,128.8539,3.48
"pyridoxal_5_phosphate","bmse000111",6,126.7748,3.24
"pyridoxal_5_phosphate","bmse000111",7,91.4524,2.95
"pyridoxal_5_phosphate","bmse000111",8,64.4322,9.86
"pyridoxal_5_phosphate","bmse000111",9,64.3954,7.79
"pyridoxal_5_phosphate","bmse000111",10,18.7125,12.5
"pyridoxal_5_phosphate","bmse000111",11,17.3618,2.26
"pyridoxamine","bmse000130",1,165.5851,1.63
"pyridoxamine","bmse000130",2,148.1236,2.38
"pyridoxamine","bmse000130",3,138.2661,5.06
"pyridoxamine","bmse000130",4,134.7636,2.63
"pyridoxamine","bmse000130",5,126.6506,8.52
"pyridoxamine","bmse000130",6,61.8257,9.73
"pyridoxamine","bmse000130",7,39.2287,12.5
"pyridoxamine","bmse000130",8,18.1093,10.27
"pyridoxamine_5_phosphate","bmse000131",1,165.6996,3.42
"pyridoxamine_5_phosphate","bmse000131",2,147.3396,4.49
"pyridoxamine_5_phosphate","bmse000131",3,137.5932,4.37
"pyridoxamine_5_phosphate","bmse000131",4,137.5201,3.66
"pyridoxamine_5_phosphate","bmse000131",5,135.8735,6.9
"pyridoxamine_5_phosphate","bmse000131",6,125.9833,8.38
"pyridoxamine_5_phosphate","bmse000131",7,64.3374,8.14
"pyridoxamine_5_phosphate","bmse000131",8,64.2962,7.45
"pyridoxamine_5_phosphate","bmse000131",9,38.955,12.5
"pyridoxamine_5_phosphate","bmse000131",10,17.7372,11.91
"scyllo_inositol","bmse000113",1,76.2821,12.5
"shikimic_acid","bmse000114",1,178.0757,1.84
"shikimic_acid","bmse000114",2,138.7121,3.69
"shikimic_acid","bmse000114",3,133.2065,8.63
"shikimic_acid","bmse000114",4,74.7462,8.91
"shikimic_acid","bmse000114",5,69.5201,11.73
"shikimic_acid","bmse000114",6,68.9871,12.5
"shikimic_acid","bmse000114",7,35.3685,8.86
"D_sorbitol","bmse000115",1,75.6364,11.8
"D_sorbitol","bmse000115",2,73.7844,11.91
"D_sorbitol","bmse000115",3,73.6628,11.46
"D_sorbitol","bmse000115",4,72.3478,12.5
"D_sorbitol","bmse000115",5,65.5074,7.86
"D_sorbitol","bmse000115",6,65.1126,9.65
"spermidine","bmse000116",1,49.7685,12.5
"spermidine","bmse000116",2,47.255,9.6
"spermidine","bmse000116",3,41.5152,10.94
"spermidine","bmse000116",4,39.2998,10.61
"spermidine","bmse000116",5,26.64,10.09
"spermidine","bmse000116",6,26.5227,9.51
"spermidine","bmse000116",7,25.4882,11.59
"spermine","bmse000117",1,50.4642,10.16
"spermine","bmse000117",2,48.3361,12.5
"spermine","bmse000117",3,40.6981,12.1
"spermine","bmse000117",4,30.823,7.1
"spermine","bmse000117",5,27.6835,10.97
"succinic_acid","bmse000118",1,185.1648,1.78
"succinic_acid","bmse000118",2,36.8897,12.5
"sucrose","bmse000119",1,106.3887,6.15
"sucrose","bmse000119",2,94.8829,11.39
"sucrose","bmse000119",3,84.0666,11.94
"sucrose","bmse000119",4,79.0967,11.54
"sucrose","bmse000119",5,76.6892,12.13
"sucrose","bmse000119",6,75.2562,11.56
"sucrose","bmse000119",7,75.107,12.4
"sucrose","bmse000119",8,73.7694,11.94
"sucrose","bmse000119",9,71.9114,12.5
"sucrose","bmse000119",10,65.0741,11.11
"sucrose","bmse000119",11,64.0305,10.38
"sucrose","bmse000119",12,62.8059,9.96
"S_adenosyl_L_methionine","bmse000059",1,177.2049,1.06
"S_adenosyl_L_methionine","bmse000059",2,175.5374,3.57
"S_adenosyl_L_methionine","bmse000059",3,158.2573,4.07
"S_adenosyl_L_methionine","bmse000059",4,158.1473,1.23
"S_adenosyl_L_methionine","bmse000059",5,155.5574,8.68
"S_adenosyl_L_methionine","bmse000059",6,155.4871,3.71
"S_adenosyl_L_methionine","bmse000059",7,154.9459,1.28
"S_adenosyl_L_methionine","bmse000059",8,151.4918,1.4
"S_adenosyl_L_methionine","bmse000059",9,151.3094,4.84
"S_adenosyl_L_methionine","bmse000059",10,143.3489,7.53
"S_adenosyl_L_methionine","bmse000059",11,142.6447,2.96
"S_adenosyl_L_methionine","bmse000059",12,121.7408,3.05
"S_adenosyl_L_methionine","bmse000059",13,91.8,12.5
"S_adenosyl_L_methionine","bmse000059",14,90.1262,1.08
"S_adenosyl_L_methionine","bmse000059",15,90.0407,3.67
"S_adenosyl_L_methionine","bmse000059",16,85.9474,3.7
"S_adenosyl_L_methionine","bmse000059",17,81.4782,2.83
"S_adenosyl_L_methionine","bmse000059",18,80.8642,9.06
"S_adenosyl_L_methionine","bmse000059",19,76.1774,4.19
"S_adenosyl_L_methionine","bmse000059",20,75.6933,3.46
"S_adenosyl_L_methionine","bmse000059",21,75.4417,10.55
"S_adenosyl_L_methionine","bmse000059",22,75.2896,11.21
"S_adenosyl_L_methionine","bmse000059",23,75.2102,3.9
"S_adenosyl_L_methionine","bmse000059",24,75.0576,4.66
"S_adenosyl_L_methionine","bmse000059",25,61.3914,4.52
"S_adenosyl_L_methionine","bmse000059",26,60.181,3.6
"S_adenosyl_L_methionine","bmse000059",27,56.1328,4.11
"S_adenosyl_L_methionine","bmse000059",28,55.5398,11.64
"S_adenosyl_L_methionine","bmse000059",29,55.4732,3.85
"S_adenosyl_L_methionine","bmse000059",30,51.6245,1.02
"S_adenosyl_L_methionine","bmse000059",31,47.0027,7.3
"S_adenosyl_L_methionine","bmse000059",32,41.6503,2.53
"S_adenosyl_L_methionine","bmse000059",33,41.5608,8
"S_adenosyl_L_methionine","bmse000059",34,39.296,1.04
"S_adenosyl_L_methionine","bmse000059",35,38.5747,3.27
"S_adenosyl_L_methionine","bmse000059",36,34.9032,4.07
"S_adenosyl_L_methionine","bmse000059",37,28.138,8.12
"S_adenosyl_L_methionine","bmse000059",38,27.9802,2.58
"S_adenosyl_L_methionine","bmse000059",39,26.5384,1.05
"S_adenosyl_L_methionine","bmse000059",40,26.4688,3.89
"S_adenosyl_L_methionine","bmse000059",41,26.1398,11.37
"S_adenosyl_L_methionine","bmse000059",42,19.5416,3.82
"S_adenosyl_L_methionine","bmse000059",43,18.0425,2.93
"taurine","bmse000120",1,50.2124,12.5
"taurine","bmse000120",2,38.0682,11.7
"L_threitol","bmse000121",1,74.3047,12.5
"L_threitol","bmse000121",2,65.3263,12.42
"trans_4_hydroxy_L_proline","bmse000123",1,177.0263,1.29
"trans_4_hydroxy_L_proline","bmse000123",2,72.7686,12.34
"trans_4_hydroxy_L_proline","bmse000123",3,62.5265,8.41
"trans_4_hydroxy_L_proline","bmse000123",4,55.643,12.5
"trans_4_hydroxy_L_proline","bmse000123",5,40.1298,9.82
"trans_cinnamic_acid","bmse000124",1,143.5556,4.31
"trans_cinnamic_acid","bmse000124",2,137.8775,1.34
"trans_cinnamic_acid","bmse000124",3,132.3324,6.15
"trans_cinnamic_acid","bmse000124",4,131.6902,9.94
"trans_cinnamic_acid","bmse000124",5,130.4135,12.5
"trans_cinnamic_acid","bmse000124",6,126.8267,3.92
"D_trehalose","bmse000125",1,95.9171,12.5
"D_trehalose","bmse000125",2,75.2081,11.88
"D_trehalose","bmse000125",3,74.8491,10.1
"D_trehalose","bmse000125",4,73.7422,9.97
"D_trehalose","bmse000125",5,72.3894,11.58
"D_trehalose","bmse000125",6,63.2132,8.55
"uric_acid","bmse000126",1,167.6653,6.04
"uric_acid","bmse000126",2,165.3393,12.5
"uric_acid","bmse000126",3,162.2146,6.72
"uric_acid","bmse000126",4,156.4958,8.87
"uric_acid","bmse000126",5,104.5779,6.55
"xanthine","bmse000127",1,163.3303,1.9
"xanthine","bmse000127",2,161.9958,1.23
"xanthine","bmse000127",3,158.0123,1.54
"xanthine","bmse000127",4,142.7225,12.5
"xanthine","bmse000127",5,116.2503,1.15
"xanthosine","bmse000128",1,163.7475,1.41
"xanthosine","bmse000128",2,162.2764,1.3
"xanthosine","bmse000128",3,155.8547,2.56
"xanthosine","bmse000128",4,140.0607,9.27
"xanthosine","bmse000128",5,118.2068,1.28
"xanthosine","bmse000128",6,90.6608,11.73
"xanthosine","bmse000128",7,88.5324,12.41
"xanthosine","bmse000128",8,75.9737,12.5
"xanthosine","bmse000128",9,73.5577,11.03
"xanthosine","bmse000128",10,64.3556,8.81
"xylitol","bmse000129",1,74.6275,11.33
"xylitol","bmse000129",2,73.4743,6.7
"xylitol","bmse000129",3,65.3143,12.5
"tyramine","bmse000243",1,157.2984,1.41
"tyramine","bmse000243",2,132.9956,12.5
"tyramine","bmse000243",3,131.1649,2.03
"tyramine","bmse000243",4,118.5125,12.18
"tyramine","bmse000243",5,43.4518,5.34
"tyramine","bmse000243",6,34.6329,6.06
"L_carnosine","bmse000246",1,180.2008,3.84
"L_carnosine","bmse000246",2,174.3323,4.86
"L_carnosine","bmse000246",3,137.5197,9.53
"L_carnosine","bmse000246",4,134.6631,4.69
"L_carnosine","bmse000246",5,119.8491,10.48
"L_carnosine","bmse000246",6,57.5784,11.65
"L_carnosine","bmse000246",7,38.3703,11.44
"L_carnosine","bmse000246",8,34.7671,12.5
"L_carnosine","bmse000246",9,30.9947,9.98
"glycolate","bmse000245",1,182.6562,5.25
"glycolate","bmse000245",2,63.9098,12.5
"1_3_dimethylurea","bmse000248",1,29.1399,12.5
"D_glucosamine","bmse000247",1,96.7337,8.51
"D_glucosamine","bmse000247",2,92.4167,12.41
"D_glucosamine","bmse000247",3,78.843,9.89
"D_glucosamine","bmse000247",4,75.8685,8.3
"D_glucosamine","bmse000247",5,74.3489,12.5
"D_glucosamine","bmse000247",6,72.9419,11.22
"D_glucosamine","bmse000247",7,72.4037,9.8
"D_glucosamine","bmse000247",8,72.3301,12.04
"D_glucosamine","bmse000247",9,63.2894,7.62
"D_glucosamine","bmse000247",10,63.0782,11.08
"D_glucosamine","bmse000247",11,59.6847,8.44
"D_glucosamine","bmse000247",12,57.1428,11.73
"isethionic_acid","bmse000242",1,59.6397,12.02
"isethionic_acid","bmse000242",2,55.5295,12.5
"N_N_dimethylglycine","bmse000241",1,62.5717,6.55
"N_N_dimethylglycine","bmse000241",2,46.2286,12.5
"dihydroxyacetone","bmse000144",1,214.7833,3.78
"dihydroxyacetone","bmse000144",2,97.773,1.6
"dihydroxyacetone","bmse000144",3,66.2429,12.5
"N_acetyl_L_glutamine","bmse000145",1,181.3622,2.37
"N_acetyl_L_glutamine","bmse000145",2,181.1277,3.44
"N_acetyl_L_glutamine","bmse000145",3,176.3862,3.32
"N_acetyl_L_glutamine","bmse000145",4,57.3658,12.5
"N_acetyl_L_glutamine","bmse000145",5,34.4405,9.75
"N_acetyl_L_glutamine","bmse000145",6,30.4549,10.18
"N_acetyl_L_glutamine","bmse000145",7,24.6247,9.17
"ADA","bmse000146",1,180.0279,1.66
"ADA","bmse000146",2,60.0622,12.5
"ADA","bmse000146",3,59.955,1.44
"4_aminoantipyrine","bmse000147",1,144.7673,1.72
"4_aminoantipyrine","bmse000147",2,135.763,1.74
"4_aminoantipyrine","bmse000147",3,132.3952,12.5
"4_aminoantipyrine","bmse000147",4,131.8174,5.85
"4_aminoantipyrine","bmse000147",5,129.3212,12.35
"4_aminoantipyrine","bmse000147",6,37.2322,4.81
"4_aminoantipyrine","bmse000147",7,11.7408,4.42
"acetylcarnitine","bmse000142",1,179.354,4.03
"acetylcarnitine","bmse000142",2,175.4615,4.06
"acetylcarnitine","bmse000142",3,70.835,4.53
"acetylcarnitine","bmse000142",4,69.5734,12.5
"acetylcarnitine","bmse000142",5,56.5103,12.2
"acetylcarnitine","bmse000142",6,42.9071,9.73
"acetylcarnitine","bmse000142",7,23.3168,9.11
"5_acetylamido_2_chloroaniline","bmse000143",1,139.2064,3.06
"5_acetylamido_2_chloroaniline","bmse000143",2,132.3826,12.5
"5_acetylamido_2_chloroaniline","bmse000143",3,116.2078,11.5
"5_acetylamido_2_chloroaniline","bmse000143",4,112.9825,11.85
"5_acetylamido_2_chloroaniline","bmse000143",5,25.522,8.76
"uracil","bmse000187",1,170.2202,1.35
"uracil","bmse000187",2,146.2032,10.52
"uracil","bmse000187",3,103.7407,12.5
"cytidine","bmse000190",1,168.8862,2.92
"cytidine","bmse000190",2,160.3399,2.39
"cytidine","bmse000190",3,144.3268,8.93
"cytidine","bmse000190",4,98.9421,9.02
"cytidine","bmse000190",5,92.9764,11.59
"cytidine","bmse000190",6,86.4726,11.93
"cytidine","bmse000190",7,76.6665,12.26
"cytidine","bmse000190",8,71.9801,12.5
"cytidine","bmse000190",9,63.4255,9.89
"propionic_acid","bmse000179",1,187.7472,2.27
"propionic_acid","bmse000179",2,33.4143,12.5
"propionic_acid","bmse000179",3,12.8911,11.53
"cytosine","bmse000180",1,170.1095,1.09
"cytosine","bmse000180",2,145.8461,10.28
"cytosine","bmse000180",3,97.8181,12.5
"3_hydroxybutyrate","bmse000161",1,183.1934,2.18
"3_hydroxybutyrate","bmse000161",2,68.3994,9.53
"3_hydroxybutyrate","bmse000161",3,49.2195,12.5
"3_hydroxybutyrate","bmse000161",4,24.4317,11.28
"sarcosine","bmse000160",1,174.1787,1.69
"sarcosine","bmse000160",2,53.5151,12.5
"sarcosine","bmse000160",3,35.3495,10.56
"beta_alanine","bmse000159",1,181.1398,1.61
"beta_alanine","bmse000159",2,39.2339,9.51
"beta_alanine","bmse000159",3,36.2855,12.5
"uridine","bmse000158",1,169.0394,2.54
"uridine","bmse000158",2,154.4569,2.08
"uridine","bmse000158",3,144.529,8.58
"uridine","bmse000158",4,104.9743,9.81
"uridine","bmse000158",5,92.0363,11.1
"uridine","bmse000158",6,86.9005,11.88
"uridine","bmse000158",7,76.3651,11.81
"uridine","bmse000158",8,72.0985,12.5
"uridine","bmse000158",9,63.4211,9.74
"N_acetyl_L_alanine","bmse000157",1,183.142,2.18
"N_acetyl_L_alanine","bmse000157",2,176.0277,2.41
"N_acetyl_L_alanine","bmse000157",3,53.6895,12.5
"N_acetyl_L_alanine","bmse000157",4,24.5618,8.98
"N_acetyl_L_alanine","bmse000157",5,20.0042,11.11
"trimethyl_phosphonoacetate","bmse000156",1,56.6257,8.02
"trimethyl_phosphonoacetate","bmse000156",2,56.5607,8.02
"trimethyl_phosphonoacetate","bmse000156",3,55.9903,12.5
"creatinine","bmse000155",1,191.713,2.26
"creatinine","bmse000155",2,59.1239,12.5
"creatinine","bmse000155",3,58.8527,2.53
"creatinine","bmse000155",4,58.6295,1.96
"creatinine","bmse000155",5,32.9001,9.73
"4_2_aminoethyl_morpholine","bmse000154",1,68.8872,12.21
"4_2_aminoethyl_morpholine","bmse000154",2,56.9694,6.45
"4_2_aminoethyl_morpholine","bmse000154",3,55.1945,12.5
"4_2_aminoethyl_morpholine","bmse000154",4,38.3707,5.31
"L_methionine_methylsulfonium_iodide","bmse000153",1,176.1278,2.46
"L_methionine_methylsulfonium_iodide","bmse000153",2,55.6328,12.37
"L_methionine_methylsulfonium_iodide","bmse000153",3,42.2714,10.53
"L_methionine_methylsulfonium_iodide","bmse000153",4,28.1127,10.06
"L_methionine_methylsulfonium_iodide","bmse000153",5,27.4753,11.87
"L_methionine_methylsulfonium_iodide","bmse000153",6,27.4428,12.5
"trigonelline","bmse000152",1,170.5429,1.63
"trigonelline","bmse000152",2,148.7294,3.53
"trigonelline","bmse000152",3,148.5432,3.12
"trigonelline","bmse000152",4,147.4509,9.81
"trigonelline","bmse000152",5,139.591,3.58
"trigonelline","bmse000152",6,130.3808,12.5
"trigonelline","bmse000152",7,50.9868,3.8
"L_kynurenine","bmse000172",1,202.7838,4.18
"L_kynurenine","bmse000172",2,176.9655,3.82
"L_kynurenine","bmse000172",3,153.0281,3.8
"L_kynurenine","bmse000172",4,138.3201,10.63
"L_kynurenine","bmse000172",5,134.0077,10.47
"L_kynurenine","bmse000172",6,120.7487,12.5
"L_kynurenine","bmse000172",7,120.1347,3.19
"L_kynurenine","bmse000172",8,119.5469,11.71
"L_kynurenine","bmse000172",9,53.4373,9.6
"L_kynurenine","bmse000172",10,53.3893,1.75
"L_kynurenine","bmse000172",11,41.6724,9.4
"4_hydroxyphenethyl_alcohol","bmse000173",1,156.5231,1.3
"4_hydroxyphenethyl_alcohol","bmse000173",2,133.6531,2.03
"4_hydroxyphenethyl_alcohol","bmse000173",3,133.0108,12.05
"4_hydroxyphenethyl_alcohol","bmse000173",4,118.0973,12.5
"4_hydroxyphenethyl_alcohol","bmse000173",5,65.4628,5.4
"4_hydroxyphenethyl_alcohol","bmse000173",6,39.6054,5.27
"L_glutathione_oxidized","bmse000170",1,179.0431,5.08
"L_glutathione_oxidized","bmse000170",2,177.7295,7.27
"L_glutathione_oxidized","bmse000170",3,176.8436,5.71
"L_glutathione_oxidized","bmse000170",4,174.576,7.14
"L_glutathione_oxidized","bmse000170",5,56.7983,12.5
"L_glutathione_oxidized","bmse000170",6,55.2962,6.93
"L_glutathione_oxidized","bmse000170",7,46.1769,10
"L_glutathione_oxidized","bmse000170",8,41.3939,5.3
"L_glutathione_oxidized","bmse000170",9,34.0976,8.71
"L_glutathione_oxidized","bmse000170",10,28.9834,9.22
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",1,137.9087,2.24
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",2,137.8673,2.37
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",3,131.376,12.5
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",4,131.3613,12.49
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",5,130.699,5.71
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",6,130.6797,5.71
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",7,130.3647,10.88
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",8,130.3201,11.19
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",9,58.3213,5.52
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",10,57.0571,5.41
"2_amino_5_ethyl_1_3_4_thiadiazole","bmse000176",1,168.4472,1.23
"2_amino_5_ethyl_1_3_4_thiadiazole","bmse000176",2,25.8692,12.5
"2_amino_5_ethyl_1_3_4_thiadiazole","bmse000176",3,15.8228,11.49
"indole_3_acetic_acid","bmse000177",1,184.4014,2.14
"indole_3_acetic_acid","bmse000177",2,138.8639,1.78
"indole_3_acetic_acid","bmse000177",3,129.8341,1.84
"indole_3_acetic_acid","bmse000177",4,126.7302,9.37
"indole_3_acetic_acid","bmse000177",5,124.4124,12.5
"indole_3_acetic_acid","bmse000177",6,121.7961,11.6
"indole_3_acetic_acid","bmse000177",7,121.3961,11.96
"indole_3_acetic_acid","bmse000177",8,114.4077,11.75
"indole_3_acetic_acid","bmse000177",9,113.0393,2.26
"indole_3_acetic_acid","bmse000177",10,36.6627,11.8
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",1,177.1121,2.86
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",2,175.8429,2.97
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",3,146.1205,4.91
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",4,142.1751,2.25
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",5,140.3992,5.19
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",6,135.1671,1.17
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",7,128.5755,12.5
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",8,122.2003,7.85
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",9,120.5307,8.5
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",10,26.0734,7.9
"inosine_5_monophosphate","bmse000175",1,161.425,3.75
"inosine_5_monophosphate","bmse000175",2,151.4802,4.81
"inosine_5_monophosphate","bmse000175",3,149.0993,9.26
"inosine_5_monophosphate","bmse000175",4,142.6513,8.28
"inosine_5_monophosphate","bmse000175",5,126.224,3.55
"inosine_5_monophosphate","bmse000175",6,90.0513,11.57
"inosine_5_monophosphate","bmse000175",7,87.5897,6.17
"inosine_5_monophosphate","bmse000175",8,87.5029,6.25
"inosine_5_monophosphate","bmse000175",9,77.4723,12.43
"inosine_5_monophosphate","bmse000175",10,73.3415,12.5
"inosine_5_monophosphate","bmse000175",11,66.1817,4.69
"inosine_5_monophosphate","bmse000175",12,66.1371,4.9
"acetylcholine","bmse000168",1,175.9351,1.7
"acetylcholine","bmse000168",2,67.2352,3.17
"acetylcholine","bmse000168",3,67.2022,3.69
"acetylcholine","bmse000168",4,67.1693,3.21
"acetylcholine","bmse000168",5,61.0489,9.91
"acetylcholine","bmse000168",6,56.5037,10.75
"acetylcholine","bmse000168",7,56.4653,12.5
"acetylcholine","bmse000168",8,56.4269,11.09
"acetylcholine","bmse000168",9,22.907,5.01
"L_selenomethionine","bmse000169",1,177.0007,2.6
"L_selenomethionine","bmse000169",2,57.4374,11.47
"L_selenomethionine","bmse000169",3,33.6291,11.68
"L_selenomethionine","bmse000169",4,21.9577,12.5
"L_selenomethionine","bmse000169",5,5.9908,6.84
"L_carnitine","bmse000211",1,180.7932,2.55
"L_carnitine","bmse000211",2,72.8484,3.55
"L_carnitine","bmse000211",3,72.8194,4.35
"L_carnitine","bmse000211",4,72.7905,3.77
"L_carnitine","bmse000211",5,66.787,9.83
"L_carnitine","bmse000211",6,56.8352,10.16
"L_carnitine","bmse000211",7,56.7971,12.5
"L_carnitine","bmse000211",8,56.7587,10.72
"L_carnitine","bmse000211",9,45.6836,6.68
"2_deoxyguanosine_5_triphosphate","bmse000210",1,161.5994,4.1
"2_deoxyguanosine_5_triphosphate","bmse000210",2,156.5483,6.62
"2_deoxyguanosine_5_triphosphate","bmse000210",3,153.9201,3.76
"2_deoxyguanosine_5_triphosphate","bmse000210",4,140.177,4.97
"2_deoxyguanosine_5_triphosphate","bmse000210",5,118.7094,3.56
"2_deoxyguanosine_5_triphosphate","bmse000210",6,88.3356,4.95
"2_deoxyguanosine_5_triphosphate","bmse000210",7,88.2497,5.03
"2_deoxyguanosine_5_triphosphate","bmse000210",8,86.1217,10.42
"2_deoxyguanosine_5_triphosphate","bmse000210",9,85.9663,1.24
"2_deoxyguanosine_5_triphosphate","bmse000210",10,73.5912,12.5
"2_deoxyguanosine_5_triphosphate","bmse000210",11,73.4257,1.36
"2_deoxyguanosine_5_triphosphate","bmse000210",12,68.0836,4.3
"2_deoxyguanosine_5_triphosphate","bmse000210",13,68.0298,4.01
"2_deoxyguanosine_5_triphosphate","bmse000210",14,60.1564,2.92
"2_deoxyguanosine_5_triphosphate","bmse000210",15,41.4696,9.7
"2_deoxyguanosine_5_triphosphate","bmse000210",16,19.5226,3.19
"L_glutathione_reduced","bmse000185",1,179.0844,3.34
"L_glutathione_reduced","bmse000185",2,177.7381,6.24
"L_glutathione_reduced","bmse000185",3,176.8762,4.09
"L_glutathione_reduced","bmse000185",4,174.517,4.49
"L_glutathione_reduced","bmse000185",5,58.485,9.28
"L_glutathione_reduced","bmse000185",6,56.8252,12.5
"L_glutathione_reduced","bmse000185",7,46.0594,11.98
"L_glutathione_reduced","bmse000185",8,34.0617,10.25
"L_glutathione_reduced","bmse000185",9,28.9279,10.05
"L_glutathione_reduced","bmse000185",10,28.2991,8.79
"L-ascorbate","bmse000182",1,180.3168,1.43
"L-ascorbate","bmse000182",2,178.4832,2.74
"L-ascorbate","bmse000182",3,115.802,1.21
"L-ascorbate","bmse000182",4,81.1004,12.5
"L-ascorbate","bmse000182",5,72.2534,11.82
"L-ascorbate","bmse000182",6,65.2522,10.99
"glycerol","bmse000184",1,74.7687,5.34
"glycerol","bmse000184",2,65.1855,12.5
"succinic_acid","bmse000183",1,185.1723,12.5
"diethyl_oxalacetate","bmse000148",1,175.4103,2.81
"diethyl_oxalacetate","bmse000148",2,174.3091,2.64
"diethyl_oxalacetate","bmse000148",3,173.4326,3.11
"diethyl_oxalacetate","bmse000148",4,168.1048,3.57
"diethyl_oxalacetate","bmse000148",5,163.0751,2.84
"diethyl_oxalacetate","bmse000148",6,107.9727,2.93
"diethyl_oxalacetate","bmse000148",7,66.4032,12.5
"diethyl_oxalacetate","bmse000148",8,64.8073,11.65
"diethyl_oxalacetate","bmse000148",9,63.2252,12.35
"diethyl_oxalacetate","bmse000148",10,60.1425,6.53
"diethyl_oxalacetate","bmse000148",11,19.5054,7.69
"diethyl_oxalacetate","bmse000148",12,16.4349,10.31
"diethyl_oxalacetate","bmse000148",13,16.0264,10.85
"diethyl_oxalacetate","bmse000148",14,15.8307,11.05
"diethyl_oxalacetate","bmse000148",15,8.3719,1.46
"methyl_4_aminobutyrate","bmse000249",1,178.332,2.3
"methyl_4_aminobutyrate","bmse000249",2,55.0318,9.91
"methyl_4_aminobutyrate","bmse000249",3,41.3931,9.31
"methyl_4_aminobutyrate","bmse000249",4,33.2371,12.5
"methyl_4_aminobutyrate","bmse000249",5,24.7364,10.01
"acetic_acid","bmse000191",1,25.9921,12.5
"DL_alpha_glycerol_phosphate","bmse000193",1,74.017,6.6
"DL_alpha_glycerol_phosphate","bmse000193",2,73.9509,6.61
"DL_alpha_glycerol_phosphate","bmse000193",3,67.5764,6.42
"DL_alpha_glycerol_phosphate","bmse000193",4,67.5279,6.33
"DL_alpha_glycerol_phosphate","bmse000193",5,64.9909,12.5
"L_arginine_L_glutamate","bmse000194",1,184.0271,2.62
"L_arginine_L_glutamate","bmse000194",2,177.3004,2.69
"L_arginine_L_glutamate","bmse000194",3,177.2486,3.51
"L_arginine_L_glutamate","bmse000194",4,159.5217,1.58
"L_arginine_L_glutamate","bmse000194",5,57.3276,11.34
"L_arginine_L_glutamate","bmse000194",6,56.9877,12.33
"L_arginine_L_glutamate","bmse000194",7,43.187,10.69
"L_arginine_L_glutamate","bmse000194",8,36.1773,12.5
"L_arginine_L_glutamate","bmse000194",9,30.2821,11.31
"L_arginine_L_glutamate","bmse000194",10,29.6813,11.66
"L_arginine_L_glutamate","bmse000194",11,26.565,9.36
"N_alpha_acetyl_DL_ornithine","bmse000195",1,181.278,2.84
"N_alpha_acetyl_DL_ornithine","bmse000195",2,176.3942,3.3
"N_alpha_acetyl_DL_ornithine","bmse000195",3,57.2647,12.5
"N_alpha_acetyl_DL_ornithine","bmse000195",4,41.7026,11.36
"N_alpha_acetyl_DL_ornithine","bmse000195",5,31.2562,11.58
"N_alpha_acetyl_DL_ornithine","bmse000195",6,26.1175,10.85
"N_alpha_acetyl_DL_ornithine","bmse000195",7,24.6039,9.43
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",1,177.1802,4.22
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",2,100.7816,12.14
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",3,74.3693,12.5
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",4,73.8173,11.87
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",5,72.6604,11.86
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",6,63.2442,9.78
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",7,57.84,10.7
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",8,56.3295,11.36
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",9,24.5939,9.03
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",1,177.4262,6.89
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",2,95.5064,6.59
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",3,95.4519,6.61
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",4,74.8112,12.48
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",5,74.1248,11.53
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",6,72.717,12.5
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",7,63.3991,10.48
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",8,60.1385,1.19
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",9,56.8941,6.31
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",10,56.82,5.92
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",11,24.8547,11.82
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",12,19.5064,1.35
"6_phosphogluconic_acid","bmse000198",1,181.6058,3.57
"6_phosphogluconic_acid","bmse000198",2,76.871,10.24
"6_phosphogluconic_acid","bmse000198",3,74.5728,12.34
"6_phosphogluconic_acid","bmse000198",4,73.5923,12.5
"6_phosphogluconic_acid","bmse000198",5,73.3427,6.13
"6_phosphogluconic_acid","bmse000198",6,73.2817,6
"6_phosphogluconic_acid","bmse000198",7,67.8378,5.3
"6_phosphogluconic_acid","bmse000198",8,67.7897,5.02
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",1,177.4856,7.09
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",2,169.018,6.26
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",3,154.5678,4.71
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",4,144.3458,8.41
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",5,105.3664,9.76
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",6,97.2217,5.52
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",7,97.1586,5.3
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",8,91.2324,10.4
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",9,85.9265,5.45
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",10,85.8356,5.37
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",11,76.5038,12.5
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",12,75.7265,10.47
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",13,73.618,9.4
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",14,72.3363,12.03
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",15,72.1894,10.68
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",16,67.7104,4.06
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",17,67.6547,4.21
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",18,63.011,8.29
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",19,56.4123,4.85
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",20,56.3279,4.86
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",21,24.8017,11.06
"D_glucosamine_6_phosphate","bmse000189",1,96.7641,3.96
"D_glucosamine_6_phosphate","bmse000189",2,92.5468,9.11
"D_glucosamine_6_phosphate","bmse000189",3,78.573,7.72
"D_glucosamine_6_phosphate","bmse000189",4,78.5029,8.09
"D_glucosamine_6_phosphate","bmse000189",5,75.3,3.82
"D_glucosamine_6_phosphate","bmse000189",6,74.241,8.9
"D_glucosamine_6_phosphate","bmse000189",7,74.1735,8.79
"D_glucosamine_6_phosphate","bmse000189",8,72.61,7.6
"D_glucosamine_6_phosphate","bmse000189",9,72.216,8.01
"D_glucosamine_6_phosphate","bmse000189",10,72.0861,11.81
"D_glucosamine_6_phosphate","bmse000189",11,65.6945,5.67
"D_glucosamine_6_phosphate","bmse000189",12,65.5318,8.2
"D_glucosamine_6_phosphate","bmse000189",13,59.9922,8.37
"D_glucosamine_6_phosphate","bmse000189",14,57.442,12.5
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",1,177.6459,3.99
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",2,177.3558,6.21
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",3,97.9785,9.64
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",4,93.8355,12.5
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",5,78.3788,4.55
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",6,78.3082,5
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",7,76.3335,8.77
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",8,74.1312,5.77
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",9,74.0636,5.71
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",10,73.273,9.62
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",11,72.5985,6.43
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",12,72.4066,4.3
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",13,65.8183,6.34
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",14,59.7314,6.92
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",15,57.09,11.32
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",16,25.09,7.17
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",17,24.8284,8.82
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",18,24.6366,2.13
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",19,8.3826,2.3
"formate","bmse000203",1,173.8915,12.5
"HEPES","bmse000202",1,60.8048,5.44
"HEPES","bmse000202",2,58.5772,7.51
"HEPES","bmse000202",3,54.5149,8.11
"HEPES","bmse000202",4,54.0844,12.5
"HEPES","bmse000202",5,52.383,11.07
"HEPES","bmse000202",6,50.0053,7.83
"D_citrulline","bmse000209",1,177.3935,5.6
"D_citrulline","bmse000209",2,164.2858,1.35
"D_citrulline","bmse000209",3,57.1942,10.87
"D_citrulline","bmse000209",4,41.9172,1.9
"D_citrulline","bmse000209",5,30.442,12.5
"D_citrulline","bmse000209",6,27.6603,6.22
"tryptamine","bmse000207",1,139.1467,1.96
"tryptamine","bmse000207",2,129.1548,2.05
"tryptamine","bmse000207",3,127.0515,9.42
"tryptamine","bmse000207",4,124.8771,12.23
"tryptamine","bmse000207",5,122.1292,11.7
"tryptamine","bmse000207",6,121.0332,11.62
"tryptamine","bmse000207",7,114.7782,11.66
"tryptamine","bmse000207",8,111.7871,2.5
"tryptamine","bmse000207",9,42.4461,10.28
"tryptamine","bmse000207",10,25.3872,12.5
"caffeine","bmse000206",1,158.3677,2.3
"caffeine","bmse000206",2,154.8444,2.1
"caffeine","bmse000206",3,150.6943,2.53
"caffeine","bmse000206",4,146.1726,12.5
"caffeine","bmse000206",5,109.992,1.93
"caffeine","bmse000206",6,36.1671,12
"caffeine","bmse000206",7,32.5176,11.72
"caffeine","bmse000206",8,30.6092,12.15
"DL_serine","bmse000222",1,175.1858,1.49
"DL_serine","bmse000222",2,62.8818,12.5
"DL_serine","bmse000222",3,59.0696,9.18
"kanamycin","bmse000201",1,103.0882,11.25
"kanamycin","bmse000201",2,99.3708,11.19
"kanamycin","bmse000201",3,87.4547,11.03
"kanamycin","bmse000201",4,82.3518,10.12
"kanamycin","bmse000201",5,76.1335,11.05
"kanamycin","bmse000201",6,75.2746,11.27
"kanamycin","bmse000201",7,74.8051,11.96
"kanamycin","bmse000201",8,73.8216,11.92
"kanamycin","bmse000201",9,73.7132,12.5
"kanamycin","bmse000201",10,71.3274,11.8
"kanamycin","bmse000201",11,71.2135,10.89
"kanamycin","bmse000201",12,68.4669,11.25
"kanamycin","bmse000201",13,62.5738,8.79
"kanamycin","bmse000201",14,57.6876,10.31
"kanamycin","bmse000201",15,52.8142,10.87
"kanamycin","bmse000201",16,50.8624,10.67
"kanamycin","bmse000201",17,43.1772,9.79
"kanamycin","bmse000201",18,32.4006,6.43
"D_galacturonic_acid","bmse000216",1,178.7328,1.92
"D_galacturonic_acid","bmse000216",2,177.8683,2.95
"D_galacturonic_acid","bmse000216",3,103.6266,1.14
"D_galacturonic_acid","bmse000216",4,98.6973,11.64
"D_galacturonic_acid","bmse000216",5,94.8821,8.1
"D_galacturonic_acid","bmse000216",6,86.1096,1.16
"D_galacturonic_acid","bmse000216",7,83.8927,1.25
"D_galacturonic_acid","bmse000216",8,78.2191,12.5
"D_galacturonic_acid","bmse000216",9,75.5921,12.15
"D_galacturonic_acid","bmse000216",10,74.2733,11.54
"D_galacturonic_acid","bmse000216",11,74.0687,8.3
"D_galacturonic_acid","bmse000216",12,73.5175,7.92
"D_galacturonic_acid","bmse000216",13,73.4128,1.2
"D_galacturonic_acid","bmse000216",14,73.0403,11.9
"D_galacturonic_acid","bmse000216",15,72.0425,8.11
"D_galacturonic_acid","bmse000216",16,70.7295,8.19
"melibiose","bmse000215",1,100.9074,4.94
"melibiose","bmse000215",2,100.8624,8.18
"melibiose","bmse000215",3,98.7735,7.77
"melibiose","bmse000215",4,94.8936,4.8
"melibiose","bmse000215",5,78.5818,7.92
"melibiose","bmse000215",6,77.0481,7.86
"melibiose","bmse000215",7,76.7432,7.91
"melibiose","bmse000215",8,75.641,4.51
"melibiose","bmse000215",9,74.115,4.66
"melibiose","bmse000215",10,73.6521,8.63
"melibiose","bmse000215",11,72.7897,4.38
"melibiose","bmse000215",12,72.2675,4.58
"melibiose","bmse000215",13,72.1681,11.13
"melibiose","bmse000215",14,72.1168,8.41
"melibiose","bmse000215",15,71.8969,12.5
"melibiose","bmse000215",16,71.1809,5.01
"melibiose","bmse000215",17,71.1499,8
"melibiose","bmse000215",18,68.5997,3.4
"melibiose","bmse000215",19,68.5048,5.74
"melibiose","bmse000215",20,63.7993,7.48
"raffinose","bmse000221",1,106.4984,12
"raffinose","bmse000221",2,101.1619,11.75
"raffinose","bmse000221",3,94.8107,10.5
"raffinose","bmse000221",4,84.0386,10.37
"raffinose","bmse000221",5,78.9908,10.66
"raffinose","bmse000221",6,76.6708,10.74
"raffinose","bmse000221",7,75.3481,10.62
"raffinose","bmse000221",8,74.0893,10.03
"raffinose","bmse000221",9,73.7298,10.76
"raffinose","bmse000221",10,73.6491,10.76
"raffinose","bmse000221",11,72.1375,11.45
"raffinose","bmse000221",12,72.0811,10.61
"raffinose","bmse000221",13,71.8977,12.5
"raffinose","bmse000221",14,71.1782,10.63
"raffinose","bmse000221",15,68.5609,7.4
"raffinose","bmse000221",16,65.174,9.27
"raffinose","bmse000221",17,64.0591,8.59
"raffinose","bmse000221",18,63.8064,10.78
"phenylacetic_acid","bmse000220",1,140.0132,1.48
"phenylacetic_acid","bmse000220",2,131.8678,12.4
"phenylacetic_acid","bmse000220",3,131.3739,12.5
"phenylacetic_acid","bmse000220",4,129.1624,7.27
"phenylacetic_acid","bmse000220",5,47.1763,7.68
"quinolinic_acid","bmse000219",1,151.0633,4.64
"quinolinic_acid","bmse000219",2,139.9295,12.5
"quinolinic_acid","bmse000219",3,134.2225,1.66
"quinolinic_acid","bmse000219",4,126.3609,1.43
"L_arabinose","bmse000213",1,99.4707,11.84
"L_arabinose","bmse000213",2,95.2773,6.36
"L_arabinose","bmse000213",3,85.6557,1.01
"L_arabinose","bmse000213",4,75.1558,12.46
"L_arabinose","bmse000213",5,74.5445,11.65
"L_arabinose","bmse000213",6,71.3975,5.23
"L_arabinose","bmse000213",7,71.291,6.33
"L_arabinose","bmse000213",8,71.19,12.5
"L_arabinose","bmse000213",9,71.1316,6.46
"L_arabinose","bmse000213",10,69.092,10.76
"L_arabinose","bmse000213",11,65.1629,5.63
"L_arabinose","bmse000213",12,63.7809,1.01
"maleic_acid","bmse000212",1,178.0156,12.5
"maleic_acid","bmse000212",2,138.0455,2.52
"trimethylamine","bmse000224",1,47.3627,12.5
"FAD","bmse000226",1,164.0687,6.03
"FAD","bmse000226",2,160.4644,6.44
"FAD","bmse000226",3,157.4008,5.27
"FAD","bmse000226",4,155.0401,6.79
"FAD","bmse000226",5,153.2024,6.31
"FAD","bmse000226",6,152.7018,4.88
"FAD","bmse000226",7,150.7506,8.42
"FAD","bmse000226",8,141.8033,9.25
"FAD","bmse000226",9,137.3022,7.38
"FAD","bmse000226",10,136.7199,6.9
"FAD","bmse000226",11,134.1126,5.24
"FAD","bmse000226",12,133.1145,6.31
"FAD","bmse000226",13,120.4006,4.97
"FAD","bmse000226",14,119.1392,5.98
"FAD","bmse000226",15,89.8286,8.42
"FAD","bmse000226",16,86.1706,4.9
"FAD","bmse000226",17,77.5902,9.53
"FAD","bmse000226",18,75.1902,7.63
"FAD","bmse000226",19,73.8874,4.74
"FAD","bmse000226",20,72.6742,9.77
"FAD","bmse000226",21,72.0204,7.14
"FAD","bmse000226",22,49.8304,4.6
"FAD","bmse000226",23,23.4503,12.23
"FAD","bmse000226",24,21.3064,12.5
"biotin","bmse000227",1,186.5202,3.08
"biotin","bmse000227",2,168.1155,1.31
"biotin","bmse000227",3,64.7083,11.47
"biotin","bmse000227",4,62.9655,10.94
"biotin","bmse000227",5,58.0656,12.5
"biotin","bmse000227",6,42.4481,10.02
"biotin","bmse000227",7,40.0331,11.31
"biotin","bmse000227",8,30.9897,10.73
"biotin","bmse000227",9,30.4007,10.87
"biotin","bmse000227",10,28.3888,11.03
"L_malic_acid","bmse000238",1,183.7653,2.22
"L_malic_acid","bmse000238",2,182.5621,2.11
"L_malic_acid","bmse000238",3,73.0565,11
"L_malic_acid","bmse000238",4,45.325,12.5
"DL_pipecolic_acid","bmse000237",1,177.3687,2.02
"DL_pipecolic_acid","bmse000237",2,61.7014,10.46
"DL_pipecolic_acid","bmse000237",3,46.3684,11.14
"DL_pipecolic_acid","bmse000237",4,29.2254,12.03
"DL_pipecolic_acid","bmse000237",5,24.5183,12.5
"DL_pipecolic_acid","bmse000237",6,24.2597,11.72
"alpha_naphthoic_acid","bmse000178",1,180.9525,1.22
"alpha_naphthoic_acid","bmse000178",2,140.3164,2.38
"alpha_naphthoic_acid","bmse000178",3,136.0023,3.43
"alpha_naphthoic_acid","bmse000178",4,131.8378,2.83
"alpha_naphthoic_acid","bmse000178",5,131.5775,11.93
"alpha_naphthoic_acid","bmse000178",6,130.9661,12.32
"alpha_naphthoic_acid","bmse000178",7,129.4469,11.78
"alpha_naphthoic_acid","bmse000178",8,128.9278,12.24
"alpha_naphthoic_acid","bmse000178",9,128.3008,11.2
"alpha_naphthoic_acid","bmse000178",10,128.1263,11.47
"alpha_naphthoic_acid","bmse000178",11,126.9179,12.5
"L_lactic_acid","bmse000208",1,185.2568,1.47
"L_lactic_acid","bmse000208",2,71.1986,10.31
"L_lactic_acid","bmse000208",3,22.7605,12.5
"thymidine","bmse000244",1,169.2606,1.96
"thymidine","bmse000244",2,154.4362,2.17
"thymidine","bmse000244",3,140.2111,10.41
"thymidine","bmse000244",4,114.1556,4.85
"thymidine","bmse000244",5,89.1962,12.5
"thymidine","bmse000244",6,87.7135,11.37
"thymidine","bmse000244",7,73.1301,12.1
"thymidine","bmse000244",8,63.8632,10.49
"thymidine","bmse000244",9,41.1957,10.46
"thymidine","bmse000244",10,14.2614,10.1
"citraconic_acid","bmse000199",1,182.5855,1.19
"citraconic_acid","bmse000199",2,177.0006,1.62
"citraconic_acid","bmse000199",3,150.7235,3.14
"citraconic_acid","bmse000199",4,122.9987,12.5
"citraconic_acid","bmse000199",5,23.083,10.26
"homogentisic_acid","bmse000200",1,183.4495,2.25
"homogentisic_acid","bmse000200",2,151.5798,3.49
"homogentisic_acid","bmse000200",3,150.3577,2.71
"homogentisic_acid","bmse000200",4,128.3103,4.07
"homogentisic_acid","bmse000200",5,120.3611,12.12
"homogentisic_acid","bmse000200",6,119.7948,12.5
"homogentisic_acid","bmse000200",7,117.1989,12.11
"homogentisic_acid","bmse000200",8,42.6626,11.69
"isonicotinic_acid","bmse000133",1,152.265,11.27
"isonicotinic_acid","bmse000133",2,143.3482,1.49
"isonicotinic_acid","bmse000133",3,124.3227,12.5
"homovanillic_acid","bmse000132",1,184.0342,2.31
"homovanillic_acid","bmse000132",2,149.9125,2.75
"homovanillic_acid","bmse000132",3,145.8277,2.64
"homovanillic_acid","bmse000132",4,132.7556,4.92
"homovanillic_acid","bmse000132",5,124.6363,12.01
"homovanillic_acid","bmse000132",6,118.1634,12.5
"homovanillic_acid","bmse000132",7,116.1596,11.86
"homovanillic_acid","bmse000132",8,58.5972,11.89
"homovanillic_acid","bmse000132",9,46.5865,11.75
"cyanuric_acid","bmse000135",1,158.7585,12.5
"ethacrynic_acid","bmse000134",1,202.3118,4.43
"ethacrynic_acid","bmse000134",2,177.9826,5
"ethacrynic_acid","bmse000134",3,158.7271,7.04
"ethacrynic_acid","bmse000134",4,152.4416,9.11
"ethacrynic_acid","bmse000134",5,134.6377,7.45
"ethacrynic_acid","bmse000134",6,134.3055,7.14
"ethacrynic_acid","bmse000134",7,133.1034,4.2
"ethacrynic_acid","bmse000134",8,130.6445,11.98
"ethacrynic_acid","bmse000134",9,124.6188,3.16
"ethacrynic_acid","bmse000134",10,113.5528,12.1
"ethacrynic_acid","bmse000134",11,70.3721,12.5
"ethacrynic_acid","bmse000134",12,25.8093,12.14
"ethacrynic_acid","bmse000134",13,14.5372,10.57
"itaconic_acid","bmse000137",1,183.4319,1.66
"itaconic_acid","bmse000137",2,144.4598,3.08
"itaconic_acid","bmse000137",3,124.7498,11.94
"itaconic_acid","bmse000137",4,44.7199,12.5
"amygdalin","bmse000139",1,135.1591,3.04
"amygdalin","bmse000139",2,133.2211,4.82
"amygdalin","bmse000139",3,132.0805,12.5
"amygdalin","bmse000139",4,130.5071,12.26
"amygdalin","bmse000139",5,121.2539,2.79
"amygdalin","bmse000139",6,105.5549,5
"amygdalin","bmse000139",7,104.1485,4.67
"amygdalin","bmse000139",8,78.6035,5.33
"amygdalin","bmse000139",9,78.2945,5.19
"amygdalin","bmse000139",10,78.182,4.9
"amygdalin","bmse000139",11,78.0819,4.95
"amygdalin","bmse000139",12,75.9,5.09
"amygdalin","bmse000139",13,75.4567,4.78
"amygdalin","bmse000139",14,72.369,5.36
"amygdalin","bmse000139",15,71.8621,4.67
"amygdalin","bmse000139",16,71.7644,5.77
"amygdalin","bmse000139",17,70.9831,3.34
"amygdalin","bmse000139",18,63.4233,3.79
"D_cellobiose","bmse000138",1,105.2663,8.21
"D_cellobiose","bmse000138",2,105.2381,5.61
"D_cellobiose","bmse000138",3,98.4528,7.32
"D_cellobiose","bmse000138",4,94.5197,4.61
"D_cellobiose","bmse000138",5,81.4215,4.68
"D_cellobiose","bmse000138",6,81.2838,7.67
"D_cellobiose","bmse000138",7,78.6932,12.12
"D_cellobiose","bmse000138",8,78.1874,12.5
"D_cellobiose","bmse000138",9,77.5013,7.76
"D_cellobiose","bmse000138",10,76.9856,7.78
"D_cellobiose","bmse000138",11,76.5907,7.38
"D_cellobiose","bmse000138",12,75.8703,9.08
"D_cellobiose","bmse000138",13,74.0348,4.8
"D_cellobiose","bmse000138",14,73.925,5.13
"D_cellobiose","bmse000138",15,72.8163,4.72
"D_cellobiose","bmse000138",16,72.1615,6.12
"D_cellobiose","bmse000138",17,72.1439,8.59
"D_cellobiose","bmse000138",18,63.2643,6.56
"D_cellobiose","bmse000138",19,62.74,5.36
"D_cellobiose","bmse000138",20,62.606,3.56
"gamma_D_galactonolactone","bmse000141",1,178.7234,2.86
"gamma_D_galactonolactone","bmse000141",2,82.7298,12.5
"gamma_D_galactonolactone","bmse000141",3,76.4007,12.48
"gamma_D_galactonolactone","bmse000141",4,75.5187,12.19
"gamma_D_galactonolactone","bmse000141",5,74.2346,3.63
"gamma_D_galactonolactone","bmse000141",6,74.0161,3.26
"gamma_D_galactonolactone","bmse000141",7,72.7812,3.45
"gamma_D_galactonolactone","bmse000141",8,72.4324,3.36
"gamma_D_galactonolactone","bmse000141",9,71.5773,12.34
"gamma_D_galactonolactone","bmse000141",10,66.0277,3.07
"gamma_D_galactonolactone","bmse000141",11,64.6899,11.19
"D_glucuronate","bmse000140",1,179.6525,1.52
"D_glucuronate","bmse000140",2,178.6724,2.78
"D_glucuronate","bmse000140",3,98.5755,11.73
"D_glucuronate","bmse000140",4,94.8123,7.69
"D_glucuronate","bmse000140",5,78.959,12.5
"D_glucuronate","bmse000140",6,78.2467,11.99
"D_glucuronate","bmse000140",7,76.6906,11.59
"D_glucuronate","bmse000140",8,75.2591,7.37
"D_glucuronate","bmse000140",9,74.8051,6.93
"D_glucuronate","bmse000140",10,74.5748,8
"D_glucuronate","bmse000140",11,74.5431,12.46
"D_glucuronate","bmse000140",12,73.9985,7.55
"L_gulonolactone","bmse000235",1,180.7006,2.42
"L_gulonolactone","bmse000235",2,84.0626,11.74
"L_gulonolactone","bmse000235",3,76.1965,2.96
"L_gulonolactone","bmse000235",4,75.331,3.02
"L_gulonolactone","bmse000235",5,74.9955,3.01
"L_gulonolactone","bmse000235",6,73.5223,12.5
"L_gulonolactone","bmse000235",7,73.1631,3.21
"L_gulonolactone","bmse000235",8,72.7983,12.19
"L_gulonolactone","bmse000235",9,72.2798,12.42
"L_gulonolactone","bmse000235",10,65.2205,2.74
"L_gulonolactone","bmse000235",11,64.1843,11.09
"glycogen","bmse000232",1,102.5103,8.96
"glycogen","bmse000232",2,79.5505,5.53
"glycogen","bmse000232",3,75.5834,9.32
"glycogen","bmse000232",4,74.2061,12.5
"glycogen","bmse000232",5,72.0454,4.53
"glycogen","bmse000232",6,63.2055,9.29
"melibiose","bmse000233",1,100.9084,5.19
"melibiose","bmse000233",2,100.8632,7.98
"melibiose","bmse000233",3,98.7735,7.66
"melibiose","bmse000233",4,94.8931,4.76
"melibiose","bmse000233",5,78.5818,7.97
"melibiose","bmse000233",6,77.0484,7.73
"melibiose","bmse000233",7,76.7428,7.76
"melibiose","bmse000233",8,75.6402,4.58
"melibiose","bmse000233",9,74.1149,4.63
"melibiose","bmse000233",10,73.6528,8.49
"melibiose","bmse000233",11,72.7893,4.29
"melibiose","bmse000233",12,72.267,4.52
"melibiose","bmse000233",13,72.1674,11.07
"melibiose","bmse000233",14,72.1167,8.55
"melibiose","bmse000233",15,71.8963,12.5
"melibiose","bmse000233",16,71.1803,5.19
"melibiose","bmse000233",17,71.1491,7.83
"melibiose","bmse000233",18,68.5995,3.44
"melibiose","bmse000233",19,68.5046,5.7
"melibiose","bmse000233",20,63.7983,7.42
"D_glucono_1_5_lactone","bmse000230",1,181.2312,2.98
"D_glucono_1_5_lactone","bmse000230",2,76.6877,12.5
"D_glucono_1_5_lactone","bmse000230",3,75.204,12.42
"D_glucono_1_5_lactone","bmse000230",4,73.8622,12.42
"D_glucono_1_5_lactone","bmse000230",5,73.6372,12.42
"D_glucono_1_5_lactone","bmse000230",6,65.3046,10.99
"N_acetyl_D_glucosamine","bmse000231",1,177.4899,2.8
"N_acetyl_D_glucosamine","bmse000231",2,177.2462,4.07
"N_acetyl_D_glucosamine","bmse000231",3,97.6343,8.26
"N_acetyl_D_glucosamine","bmse000231",4,93.5456,12.5
"N_acetyl_D_glucosamine","bmse000231",5,78.6606,9.02
"N_acetyl_D_glucosamine","bmse000231",6,76.5921,8.56
"N_acetyl_D_glucosamine","bmse000231",7,74.2719,12.4
"N_acetyl_D_glucosamine","bmse000231",8,73.3628,12.21
"N_acetyl_D_glucosamine","bmse000231",9,72.7507,12.34
"N_acetyl_D_glucosamine","bmse000231",10,72.5242,8.84
"N_acetyl_D_glucosamine","bmse000231",11,63.4249,7.22
"N_acetyl_D_glucosamine","bmse000231",12,63.2564,10.49
"N_acetyl_D_glucosamine","bmse000231",13,59.3824,8.25
"N_acetyl_D_glucosamine","bmse000231",14,56.8002,11.86
"N_acetyl_D_glucosamine","bmse000231",15,24.8865,6.38
"N_acetyl_D_glucosamine","bmse000231",16,24.609,9.19
"polygalacturonic_acid","bmse000228",1,178.1914,12.5
"polygalacturonic_acid","bmse000228",2,101.6522,9.97
"polygalacturonic_acid","bmse000228",3,80.5569,9.65
"polygalacturonic_acid","bmse000228",4,73.9772,8.45
"polygalacturonic_acid","bmse000228",5,71.4996,8.28
"polygalacturonic_acid","bmse000228",6,70.7598,8.29
"polygalacturonic_acid","bmse000228",7,26.4074,3.65
"D_saccharate","bmse000239",1,181.3679,2.13
"D_saccharate","bmse000239",2,181.237,1.95
"D_saccharate","bmse000239",3,76.4264,11.96
"D_saccharate","bmse000239",4,76.4165,12.5
"D_saccharate","bmse000239",5,76.2846,9.51
"D_saccharate","bmse000239",6,74.3621,9.95
"stachyose","bmse000240",1,106.5168,12.21
"stachyose","bmse000240",2,101.06,8.92
"stachyose","bmse000240",3,100.7169,10.76
"stachyose","bmse000240",4,94.8219,8.89
"stachyose","bmse000240",5,84.0524,9.16
"stachyose","bmse000240",6,78.9976,9.04
"stachyose","bmse000240",7,76.6795,9.2
"stachyose","bmse000240",8,75.4111,9
"stachyose","bmse000240",9,73.9757,8.23
"stachyose","bmse000240",10,73.7006,10.47
"stachyose","bmse000240",11,73.6476,9.63
"stachyose","bmse000240",12,72.1972,12.5
"stachyose","bmse000240",13,72.173,10.25
"stachyose","bmse000240",14,72.0684,10.06
"stachyose","bmse000240",15,72.0362,10.92
"stachyose","bmse000240",16,71.9303,12.49
"stachyose","bmse000240",17,71.5019,8.73
"stachyose","bmse000240",18,71.1393,9.07
"stachyose","bmse000240",19,70.9835,10.63
"stachyose","bmse000240",20,69.1734,6.48
"stachyose","bmse000240",21,68.5201,5.87
"stachyose","bmse000240",22,65.1886,8.65
"stachyose","bmse000240",23,64.0756,7.23
"stachyose","bmse000240",24,63.8499,10.36
"L_tartaric_acid","bmse000167",1,181.2992,12.5
"D_xylonate_cadmium","bmse000166",1,181.2863,3.14
"D_xylonate_cadmium","bmse000166",2,75.334,10.18
"D_xylonate_cadmium","bmse000166",3,75.0844,12.5
"D_xylonate_cadmium","bmse000166",4,65.059,9.59
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",1,177.4252,6.68
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",2,95.4941,6.42
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",3,95.4396,6.74
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",4,74.801,12.35
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",5,74.139,11.43
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",6,72.7232,12.5
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",7,63.4049,10.26
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",8,60.1376,1.31
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",9,56.8998,5.8
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",10,56.8264,6.12
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",11,24.8578,11.78
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",12,19.5062,1.22
"L_ornithine","bmse000162",1,177.052,2.52
"L_ornithine","bmse000162",2,56.8032,12.42
"L_ornithine","bmse000162",3,41.5581,10.67
"L_ornithine","bmse000162",4,30.183,12.5
"L_ornithine","bmse000162",5,25.4674,10.78
"D_alanine","bmse000236",1,178.5839,1.59
"D_alanine","bmse000236",2,53.2011,9.79
"D_alanine","bmse000236",3,18.8519,12.5
"4_nitrophenol","bmse000223",1,130.0111,12.5
"4_nitrophenol","bmse000223",2,129.9947,12.29
"4_nitrophenol","bmse000223",3,120.3011,8.51
"4_nitrophenol","bmse000223",4,120.2591,10.79
"D_L_glyceraldehyde","bmse000225",1,92.4597,11.03
"D_L_glyceraldehyde","bmse000225",2,76.7639,11.48
"D_L_glyceraldehyde","bmse000225",3,64.6759,12.5
"4_hydroxycinnamic_acid","bmse000150",1,178.908,1.38
"4_hydroxycinnamic_acid","bmse000150",2,159.818,1.85
"4_hydroxycinnamic_acid","bmse000150",3,143.5246,4.55
"4_hydroxycinnamic_acid","bmse000150",4,132.2994,11.74
"4_hydroxycinnamic_acid","bmse000150",5,130.1932,2.25
"4_hydroxycinnamic_acid","bmse000150",6,124.1229,4.91
"4_hydroxycinnamic_acid","bmse000150",7,118.5321,12.5
"alpha_D_galactose_1_phosphate","bmse000151",1,96.62,5.96
"alpha_D_galactose_1_phosphate","bmse000151",2,96.566,5.93
"alpha_D_galactose_1_phosphate","bmse000151",3,73.8281,11.4
"alpha_D_galactose_1_phosphate","bmse000151",4,72.304,10.42
"alpha_D_galactose_1_phosphate","bmse000151",5,72.1558,12.5
"alpha_D_galactose_1_phosphate","bmse000151",6,71.7402,5.87
"alpha_D_galactose_1_phosphate","bmse000151",7,71.6737,5.84
"alpha_D_galactose_1_phosphate","bmse000151",8,64.0705,10.09
"dAMP","bmse000250",1,155.0627,3.71
"dAMP","bmse000250",2,142.9366,3.42
"dAMP","bmse000250",3,90.1821,11.54
"dAMP","bmse000250",4,87.3797,7.1
"dAMP","bmse000250",5,74.0139,10.26
"dAMP","bmse000250",6,64.4148,12.5
"dAMP","bmse000250",7,41.7694,7.82
"Oxalosuccinate","bmse000251",1,184.1371,2.15
"Oxalosuccinate","bmse000251",2,172.7664,1.95
"Oxalosuccinate","bmse000251",3,52.8383,1.48
"Oxalosuccinate","bmse000251",4,38.5758,5.93
"Oxalosuccinate","bmse000251",5,38.454,1.48
"Oxalosuccinate","bmse000251",6,38.2644,1.54
"Oxalosuccinate","bmse000251",7,38.0683,1.39
"Oxalosuccinate","bmse000251",8,36.9355,3.83
"Oxalosuccinate","bmse000251",9,35.3007,1.19
"Oxalosuccinate","bmse000251",10,34.9692,1.16
"Oxalosuccinate","bmse000251",11,33.3147,5.48
"Oxalosuccinate","bmse000251",12,33.2611,6.95
"Oxalosuccinate","bmse000251",13,33.2048,12.5
"Oxalosuccinate","bmse000251",14,25.9719,1.99
"Salicylate","bmse000252",1,178.336,1.8
"Salicylate","bmse000252",2,162.3095,1.9
"Salicylate","bmse000252",3,136.7054,12.5
"Salicylate","bmse000252",4,133.2002,11.8
"Salicylate","bmse000252",5,122.0978,11.69
"Salicylate","bmse000252",6,120.713,2.32
"Salicylate","bmse000252",7,119.007,12.31
"dADP","bmse000253",1,158.1421,4.9
"dADP","bmse000253",2,155.3005,9.18
"dADP","bmse000253",3,151.2181,2.23
"dADP","bmse000253",4,142.6258,3.6
"dADP","bmse000253",5,121.1832,1.88
"dADP","bmse000253",6,88.4189,5.03
"dADP","bmse000253",7,88.3329,5.02
"dADP","bmse000253",8,86.1412,10.03
"dADP","bmse000253",9,73.3197,12.5
"dADP","bmse000253",10,67.3652,4.1
"dADP","bmse000253",11,67.3129,3.98
"dADP","bmse000253",12,41.5514,9.81
"D_Fructose_1_phosphate","bmse000254",1,100.8301,3.74
"D_Fructose_1_phosphate","bmse000254",2,100.7578,3.97
"D_Fructose_1_phosphate","bmse000254",3,83.1443,1.21
"D_Fructose_1_phosphate","bmse000254",4,78.79,1.8
"D_Fructose_1_phosphate","bmse000254",5,76.8304,1.21
"D_Fructose_1_phosphate","bmse000254",6,72.0493,12.5
"D_Fructose_1_phosphate","bmse000254",7,71.8351,11.69
"D_Fructose_1_phosphate","bmse000254",8,70.5098,12.35
"D_Fructose_1_phosphate","bmse000254",9,68.9967,5.19
"D_Fructose_1_phosphate","bmse000254",10,68.9492,5.25
"D_Fructose_1_phosphate","bmse000254",11,66.0887,9.73
"D_Fructose_1_phosphate","bmse000254",12,64.969,2.12
"D_Fructose_1_phosphate","bmse000254",13,64.1264,1.29
"ITP","bmse000255",1,161.4399,4.25
"ITP","bmse000255",2,151.5943,2.62
"ITP","bmse000255",3,149.0201,9.65
"ITP","bmse000255",4,142.5226,5.74
"ITP","bmse000255",5,126.3562,2.24
"ITP","bmse000255",6,90.276,1.56
"ITP","bmse000255",7,89.9312,10.81
"ITP","bmse000255",8,86.8306,5.65
"ITP","bmse000255",9,86.7415,5.81
"ITP","bmse000255",10,77.2254,2.18
"ITP","bmse000255",11,77.1273,12.5
"ITP","bmse000255",12,72.8596,11.68
"ITP","bmse000255",13,72.5243,2.14
"ITP","bmse000255",14,67.7479,4.35
"ITP","bmse000255",15,67.695,4.23
"Formaldehyde","bmse000256",1,84.4358,12.5
"FMN","bmse000257",1,163.2526,6.78
"FMN","bmse000257",2,160.3175,7.33
"FMN","bmse000257",3,153.429,6.6
"FMN","bmse000257",4,152.3129,4.11
"FMN","bmse000257",5,142.1584,7.18
"FMN","bmse000257",6,136.6282,6.86
"FMN","bmse000257",7,136.1877,6.82
"FMN","bmse000257",8,134.1083,4
"FMN","bmse000257",9,132.8224,4.98
"FMN","bmse000257",10,119.7064,4.78
"FMN","bmse000257",11,75.2209,6.14
"FMN","bmse000257",12,74.4868,3.9
"FMN","bmse000257",13,74.4237,3.92
"FMN","bmse000257",14,72.0087,6.36
"FMN","bmse000257",15,67.8012,3.52
"FMN","bmse000257",16,50.1474,2.93
"FMN","bmse000257",17,23.466,11.62
"FMN","bmse000257",18,21.3437,12.5
"Glycolaldehyde","bmse000258",1,92.374,9.81
"Glycolaldehyde","bmse000258",2,67.1623,12.5
"4_Hydroxybenzaldehyde","bmse000259",1,197.0798,3.76
"4_Hydroxybenzaldehyde","bmse000259",2,136.1538,9.71
"4_Hydroxybenzaldehyde","bmse000259",3,129.545,1.03
"4_Hydroxybenzaldehyde","bmse000259",4,119.8609,12.5
"Nicotinamide_D_ribonucleotide","bmse000260",1,175.8236,3.35
"Nicotinamide_D_ribonucleotide","bmse000260",2,141.0654,10.52
"Nicotinamide_D_ribonucleotide","bmse000260",3,127.6138,9.12
"Nicotinamide_D_ribonucleotide","bmse000260",4,108.182,10.66
"Nicotinamide_D_ribonucleotide","bmse000260",5,103.4044,6.52
"Nicotinamide_D_ribonucleotide","bmse000260",6,103.1839,1.61
"Nicotinamide_D_ribonucleotide","bmse000260",7,97.6396,11.48
"Nicotinamide_D_ribonucleotide","bmse000260",8,85.9422,6.34
"Nicotinamide_D_ribonucleotide","bmse000260",9,85.8555,6.04
"Nicotinamide_D_ribonucleotide","bmse000260",10,80.4925,1.81
"Nicotinamide_D_ribonucleotide","bmse000260",11,74.2063,1.79
"Nicotinamide_D_ribonucleotide","bmse000260",12,73.4952,12.5
"Nicotinamide_D_ribonucleotide","bmse000260",13,73.3372,12.21
"Nicotinamide_D_ribonucleotide","bmse000260",14,66.7617,5.06
"Nicotinamide_D_ribonucleotide","bmse000260",15,66.7167,4.78
"Nicotinamide_D_ribonucleotide","bmse000260",16,24.6964,9.6
"Acetyl_phosphate","bmse000261",1,175.0096,3.44
"Acetyl_phosphate","bmse000261",2,25.9801,10.24
"Acetyl_phosphate","bmse000261",3,24.7883,12.5
"Acetyl_phosphate","bmse000261",4,24.7425,11.1
"3_4_Hydroxyphenyl_pyruvate","bmse000262",1,157.3242,1.3
"3_4_Hydroxyphenyl_pyruvate","bmse000262",2,133.865,7.91
"3_4_Hydroxyphenyl_pyruvate","bmse000262",3,118.3826,12.5
"3_4_Hydroxyphenyl_pyruvate","bmse000262",4,117.7478,1.45
"NADP","bmse000263",1,167.8496,4.47
"NADP","bmse000263",2,158.1147,5.39
"NADP","bmse000263",3,155.428,9.01
"NADP","bmse000263",4,151.6757,5.76
"NADP","bmse000263",5,148.3745,7.75
"NADP","bmse000263",6,145.0167,6.29
"NADP","bmse000263",7,142.8886,8.29
"NADP","bmse000263",8,142.5477,5.92
"NADP","bmse000263",9,136.304,8.28
"NADP","bmse000263",10,131.3453,8.51
"NADP","bmse000263",11,121.1612,3.82
"NADP","bmse000263",12,102.729,11.11
"NADP","bmse000263",13,89.8221,5.86
"NADP","bmse000263",14,89.7336,5.64
"NADP","bmse000263",15,89.2538,5.26
"NADP","bmse000263",16,89.1719,5.28
"NADP","bmse000263",17,85.7472,5.48
"NADP","bmse000263",18,85.6577,5.52
"NADP","bmse000263",19,80.3221,12.5
"NADP","bmse000263",20,78.7636,5.55
"NADP","bmse000263",21,78.722,5.71
"NADP","bmse000263",22,73.3731,12.23
"NADP","bmse000263",23,72.7335,7.06
"NADP","bmse000263",24,68.2193,4.11
"NADP","bmse000263",25,67.6754,4.43
"NADP","bmse000263",26,57.0544,1.98
"4_Nitrophenyl_phosphate","bmse000264",1,163.0405,1.08
"4_Nitrophenyl_phosphate","bmse000264",2,144.5179,1.04
"4_Nitrophenyl_phosphate","bmse000264",3,128.4131,12.5
"4_Nitrophenyl_phosphate","bmse000264",4,122.6671,7.06
"4_Nitrophenyl_phosphate","bmse000264",5,122.6148,7.04
"4_Nitrocatechol","bmse000265",1,164.1278,1.69
"4_Nitrocatechol","bmse000265",2,148.5107,2.32
"4_Nitrocatechol","bmse000265",3,138.4594,1.3
"4_Nitrocatechol","bmse000265",4,122.9045,11.12
"4_Nitrocatechol","bmse000265",5,118.6529,12.08
"4_Nitrocatechol","bmse000265",6,112.45,12.5
"UDP","bmse000266",1,169.0888,5
"UDP","bmse000266",2,154.545,3.74
"UDP","bmse000266",3,144.5243,8.52
"UDP","bmse000266",4,105.234,10.35
"UDP","bmse000266",5,91.4445,11.2
"UDP","bmse000266",6,85.9024,5.62
"UDP","bmse000266",7,85.8136,5.66
"UDP","bmse000266",8,76.5959,12.5
"UDP","bmse000266",9,71.8259,11.92
"UDP","bmse000266",10,66.8315,4.4
"UDP","bmse000266",11,66.7792,4.54
"Formamide","bmse000267",1,169.4492,12.5
"R_Lactate","bmse000269",1,185.265,2.92
"R_Lactate","bmse000269",2,71.1978,10.49
"R_Lactate","bmse000269",3,22.7641,12.5
"GDP","bmse000270",1,161.6068,4.89
"GDP","bmse000270",2,156.6326,5.27
"GDP","bmse000270",3,154.1538,4.67
"GDP","bmse000270",4,140.2801,1.14
"GDP","bmse000270",5,140.1096,6.84
"GDP","bmse000270",6,118.7579,3.69
"GDP","bmse000270",7,89.8065,11.14
"GDP","bmse000270",8,86.2198,5.66
"GDP","bmse000270",9,86.132,5.77
"GDP","bmse000270",10,76.7534,12.5
"GDP","bmse000270",11,72.5131,12.28
"GDP","bmse000270",12,67.1729,4.45
"GDP","bmse000270",13,67.1215,4.26
"CoA","bmse000271",1,177.6817,2.7
"CoA","bmse000271",2,177.4294,8.2
"CoA","bmse000271",3,176.8233,2.08
"CoA","bmse000271",4,176.7106,6.6
"CoA","bmse000271",5,158.389,5.21
"CoA","bmse000271",6,155.6654,8.04
"CoA","bmse000271",7,155.5753,5.97
"CoA","bmse000271",8,152.1398,5.55
"CoA","bmse000271",9,152.0219,2.76
"CoA","bmse000271",10,142.9347,4.88
"CoA","bmse000271",11,142.6212,6.68
"CoA","bmse000271",12,121.3186,3.76
"CoA","bmse000271",13,89.3885,6.08
"CoA","bmse000271",14,89.1901,9.09
"CoA","bmse000271",15,87.3585,1.54
"CoA","bmse000271",16,87.3087,1.85
"CoA","bmse000271",17,87.2237,1.74
"CoA","bmse000271",18,86.8498,2.3
"CoA","bmse000271",19,86.7595,2.57
"CoA","bmse000271",20,85.3884,1.1
"CoA","bmse000271",21,79.6453,1.28
"CoA","bmse000271",22,79.1396,1.19
"CoA","bmse000271",23,78.2226,1.22
"CoA","bmse000271",24,77.5422,4.25
"CoA","bmse000271",25,77.2177,3.82
"CoA","bmse000271",26,77.1851,3.69
"CoA","bmse000271",27,76.9949,5.4
"CoA","bmse000271",28,76.9604,4.74
"CoA","bmse000271",29,76.7805,9.52
"CoA","bmse000271",30,76.4673,4.19
"CoA","bmse000271",31,76.4236,8.22
"CoA","bmse000271",32,76.3796,5.46
"CoA","bmse000271",33,74.5542,4.24
"CoA","bmse000271",34,74.4922,3.65
"CoA","bmse000271",35,73.328,2.2
"CoA","bmse000271",36,73.2765,1.86
"CoA","bmse000271",37,68.4744,3.83
"CoA","bmse000271",38,68.4222,3.88
"CoA","bmse000271",39,66.6691,2.47
"CoA","bmse000271",40,66.6238,2.86
"CoA","bmse000271",41,45.0428,4.93
"CoA","bmse000271",42,44.9976,11.76
"CoA","bmse000271",43,44.9048,1.18
"CoA","bmse000271",44,41.1259,2.81
"CoA","bmse000271",45,41.0359,6.14
"CoA","bmse000271",46,40.9558,6.01
"CoA","bmse000271",47,40.7593,1.76
"CoA","bmse000271",48,39.1263,1.74
"CoA","bmse000271",49,38.2973,1.72
"CoA","bmse000271",50,38.1621,9.87
"CoA","bmse000271",51,38.0817,9.25
"CoA","bmse000271",52,25.7997,12.5
"CoA","bmse000271",53,24.0869,1.45
"CoA","bmse000271",54,23.9984,3.96
"CoA","bmse000271",55,23.5128,8.93
"CoA","bmse000271",56,22.6789,1.36
"CoA","bmse000271",57,20.9419,3.81
"CoA","bmse000271",58,20.7819,9.63
"CoA","bmse000271",59,20.1012,1.78
"CDP","bmse000272",1,168.8761,4.9
"CDP","bmse000272",2,160.4002,4.39
"CDP","bmse000272",3,144.5698,1.09
"CDP","bmse000272",4,144.266,8.55
"CDP","bmse000272",5,99.3648,1.46
"CDP","bmse000272",6,99.2242,9.38
"CDP","bmse000272",7,92.2295,11.24
"CDP","bmse000272",8,91.8456,1.72
"CDP","bmse000272",9,85.3396,5.74
"CDP","bmse000272",10,85.2502,5.69
"CDP","bmse000272",11,77.0076,12.5
"CDP","bmse000272",12,72.3706,1.47
"CDP","bmse000272",13,71.4858,12.07
"CDP","bmse000272",14,66.6366,4.51
"CDP","bmse000272",15,66.5841,4.41
"D_Aspartate","bmse000273",1,180.3052,2.2
"D_Aspartate","bmse000273",2,177.0122,1.98
"D_Aspartate","bmse000273",3,54.9072,9.91
"D_Aspartate","bmse000273",4,39.2644,12.5
"Thiamin","bmse000274",1,171.726,5.58
"Thiamin","bmse000274",2,164.5163,3.11
"Thiamin","bmse000274",3,159.8969,10.99
"Thiamin","bmse000274",4,145.552,3.59
"Thiamin","bmse000274",5,138.7379,4.97
"Thiamin","bmse000274",6,107.1899,6.29
"Thiamin","bmse000274",7,63.1255,12.5
"Thiamin","bmse000274",8,53.7574,10.69
"Thiamin","bmse000274",9,31.9248,12.41
"Thiamin","bmse000274",10,26.7632,11.25
"Thiamin","bmse000274",11,13.8517,12.02
"D_Fructose_2_6_bisphosphate","bmse000275",1,106.8714,4.79
"D_Fructose_2_6_bisphosphate","bmse000275",2,106.8017,4.74
"D_Fructose_2_6_bisphosphate","bmse000275",3,82.9825,6.41
"D_Fructose_2_6_bisphosphate","bmse000275",4,82.912,6.28
"D_Fructose_2_6_bisphosphate","bmse000275",5,80.0513,6.58
"D_Fructose_2_6_bisphosphate","bmse000275",6,80.0052,6.39
"D_Fructose_2_6_bisphosphate","bmse000275",7,78.0543,12.5
"D_Fructose_2_6_bisphosphate","bmse000275",8,68.3553,5.53
"D_Fructose_2_6_bisphosphate","bmse000275",9,68.3079,5.71
"D_Fructose_2_6_bisphosphate","bmse000275",10,65.2002,7.1
"D_Fructose_2_6_bisphosphate","bmse000275",11,60.1397,1.11
"D_Fructose_2_6_bisphosphate","bmse000275",12,19.51,1.19
"Ethanolamine","bmse000276",1,60.3171,12.5
"Ethanolamine","bmse000276",2,43.9507,8.05
"CTP","bmse000277",1,168.8983,5.15
"CTP","bmse000277",2,160.5208,4.42
"CTP","bmse000277",3,144.2311,8.6
"CTP","bmse000277",4,99.3524,9.52
"CTP","bmse000277",5,91.8085,11.04
"CTP","bmse000277",6,85.501,5.68
"CTP","bmse000277",7,85.4107,5.57
"CTP","bmse000277",8,77.0203,1.35
"CTP","bmse000277",9,76.8989,12.5
"CTP","bmse000277",10,71.7933,11.89
"CTP","bmse000277",11,71.4631,1.06
"CTP","bmse000277",12,67.272,4.2
"CTP","bmse000277",13,67.2177,4.39
"D_Ribulose_5_phosphate","bmse000278",1,103.8241,7.82
"D_Ribulose_5_phosphate","bmse000278",2,98.9771,2.24
"D_Ribulose_5_phosphate","bmse000278",3,85.3023,1.6
"D_Ribulose_5_phosphate","bmse000278",4,84.6704,3.81
"D_Ribulose_5_phosphate","bmse000278",5,84.5875,4.13
"D_Ribulose_5_phosphate","bmse000278",6,78.03,9.99
"D_Ribulose_5_phosphate","bmse000278",7,73.4112,12.5
"D_Ribulose_5_phosphate","bmse000278",8,72.931,3.83
"D_Ribulose_5_phosphate","bmse000278",9,67.3547,5.39
"D_Ribulose_5_phosphate","bmse000278",10,67.3093,5.5
"D_Ribulose_5_phosphate","bmse000278",11,66.4813,2.3
"Urocanate","bmse000279",1,178.6198,2.5
"Urocanate","bmse000279",2,140.3626,11.29
"Urocanate","bmse000279",3,137.0776,2.14
"Urocanate","bmse000279",4,133.668,10.36
"Urocanate","bmse000279",5,124.4849,12.5
"Urocanate","bmse000279",6,123.9802,8.38
"UMP","bmse000280",1,169.0839,4.57
"UMP","bmse000280",2,154.6578,3.41
"UMP","bmse000280",3,144.8275,8.54
"UMP","bmse000280",4,105.3924,10.43
"UMP","bmse000280",5,91.006,11.31
"UMP","bmse000280",6,86.9204,5.97
"UMP","bmse000280",7,86.8326,6.05
"UMP","bmse000280",8,76.6643,12.5
"UMP","bmse000280",9,72.7729,12.16
"UMP","bmse000280",10,65.9126,4.79
"UMP","bmse000280",11,65.8681,4.9
"Nicotinamide","bmse000281",1,154.5266,12.5
"Nicotinamide","bmse000281",2,150.344,11.49
"Nicotinamide","bmse000281",3,139.1539,11.48
"Nicotinamide","bmse000281",4,131.9398,1.76
"Nicotinamide","bmse000281",5,126.9235,10.76
"DL_Alanine","bmse000282",1,178.5738,1.77
"DL_Alanine","bmse000282",2,53.2017,9.6
"DL_Alanine","bmse000282",3,18.85,12.5
"Orotate","bmse000283",1,104.064,12.5
"Benzonitrile","bmse000284",1,136.2019,8.6
"Benzonitrile","bmse000284",2,135.1116,12.5
"Benzonitrile","bmse000284",3,131.8912,12.48
"Choline","bmse000285",1,70.1479,3.39
"Choline","bmse000285",2,70.1177,3.59
"Choline","bmse000285",3,70.0875,3.34
"Choline","bmse000285",4,58.3089,8.06
"Choline","bmse000285",5,56.621,11.8
"Choline","bmse000285",6,56.5813,12.5
"Choline","bmse000285",7,56.542,12.01
"Acetophenone","bmse000286",1,136.8469,7.17
"Acetophenone","bmse000286",2,131.5104,12.5
"Acetophenone","bmse000286",3,131.2516,11.84
"Acetophenone","bmse000286",4,28.9711,3.47
"Pantothenate","bmse000287",1,183.0208,3.24
"Pantothenate","bmse000287",2,177.6531,4.02
"Pantothenate","bmse000287",3,78.4586,12.5
"Pantothenate","bmse000287",4,71.0985,10.81
"Pantothenate","bmse000287",5,41.2778,8.26
"Pantothenate","bmse000287",6,39.3779,10.45
"Pantothenate","bmse000287",7,38.8533,9.94
"Pantothenate","bmse000287",8,23.2349,9.96
"Pantothenate","bmse000287",9,21.8424,10.1
"Pyridoxine","bmse000288",1,163.4259,2.28
"Pyridoxine","bmse000288",2,146.9983,3.52
"Pyridoxine","bmse000288",3,141.4468,3.78
"Pyridoxine","bmse000288",4,138.1842,4.52
"Pyridoxine","bmse000288",5,127.4073,3.84
"Pyridoxine","bmse000288",6,61.4656,12.5
"Pyridoxine","bmse000288",7,58.6687,10.33
"Pyridoxine","bmse000288",8,18.2013,8.23
"S_Adenosyl_L_homocysteine","bmse000289",1,176.8876,4.61
"S_Adenosyl_L_homocysteine","bmse000289",2,158.3878,3.44
"S_Adenosyl_L_homocysteine","bmse000289",3,155.6615,9.39
"S_Adenosyl_L_homocysteine","bmse000289",4,151.6956,3.2
"S_Adenosyl_L_homocysteine","bmse000289",5,142.814,7.91
"S_Adenosyl_L_homocysteine","bmse000289",6,121.5644,2.04
"S_Adenosyl_L_homocysteine","bmse000289",7,90.125,10.63
"S_Adenosyl_L_homocysteine","bmse000289",8,90.0104,2.04
"S_Adenosyl_L_homocysteine","bmse000289",9,86.1029,11.9
"S_Adenosyl_L_homocysteine","bmse000289",10,75.9715,11.38
"S_Adenosyl_L_homocysteine","bmse000289",11,75.0004,12.5
"S_Adenosyl_L_homocysteine","bmse000289",12,56.4364,10.43
"S_Adenosyl_L_homocysteine","bmse000289",13,36.2065,8.4
"S_Adenosyl_L_homocysteine","bmse000289",14,33.1203,8.91
"S_Adenosyl_L_homocysteine","bmse000289",15,30.4627,9.14
"Phenol","bmse000290",1,132.703,11.87
"Phenol","bmse000290",2,123.3534,6.56
"Phenol","bmse000290",3,118.0886,12.5
"Selenomethionine","bmse000291",1,176.8764,2.7
"Selenomethionine","bmse000291",2,57.3265,11.71
"Selenomethionine","bmse000291",3,33.5106,11.73
"Selenomethionine","bmse000291",4,21.8408,12.5
"Selenomethionine","bmse000291",5,5.875,6.96
"UDPglucuronate","bmse000292",1,179.1513,4.63
"UDPglucuronate","bmse000292",2,169.0242,5.14
"UDPglucuronate","bmse000292",3,154.6097,3.93
"UDPglucuronate","bmse000292",4,144.2873,8.42
"UDPglucuronate","bmse000292",5,105.4108,10.1
"UDPglucuronate","bmse000292",6,98.1166,5.83
"UDPglucuronate","bmse000292",7,98.0506,5.78
"UDPglucuronate","bmse000292",8,91.0126,10.69
"UDPglucuronate","bmse000292",9,86.0368,5.52
"UDPglucuronate","bmse000292",10,85.9455,5.68
"UDPglucuronate","bmse000292",11,76.498,12.5
"UDPglucuronate","bmse000292",12,75.7603,10.99
"UDPglucuronate","bmse000292",13,75.2986,10.18
"UDPglucuronate","bmse000292",14,74.5675,11.19
"UDPglucuronate","bmse000292",15,74.1227,5.66
"UDPglucuronate","bmse000292",16,74.0395,5.54
"UDPglucuronate","bmse000292",17,72.367,11.96
"UDPglucuronate","bmse000292",18,67.7081,4.35
"UDPglucuronate","bmse000292",19,67.6532,4.54
"UDPglucuronate","bmse000292",20,60.142,1.01
"UDPglucuronate","bmse000292",21,19.5053,1.3
"Hydroquinone","bmse000293",1,151.6552,1.09
"Hydroquinone","bmse000293",2,119.0705,12.5
"Methanol","bmse000294",1,51.571,12.5
"Methanol","bmse000294",2,8.3835,1.29
"UTP","bmse000295",1,169.0527,4.84
"UTP","bmse000295",2,154.6305,3.56
"UTP","bmse000295",3,144.4685,8.62
"UTP","bmse000295",4,105.3558,9.9
"UTP","bmse000295",5,90.9803,10.91
"UTP","bmse000295",6,86.0794,5.45
"UTP","bmse000295",7,85.9897,5.66
"UTP","bmse000295",8,76.4645,12.5
"UTP","bmse000295",9,72.1667,11.59
"UTP","bmse000295",10,67.5196,4.26
"UTP","bmse000295",11,67.4644,4.32
"UTP","bmse000295",12,60.1427,1.1
"dTMP","bmse000296",1,169.2356,1.23
"dTMP","bmse000296",2,160.5265,1.29
"dTMP","bmse000296",3,154.4333,1.31
"dTMP","bmse000296",4,140.1216,3.35
"dTMP","bmse000296",5,114.2982,2.37
"dTMP","bmse000296",6,88.3382,2.04
"dTMP","bmse000296",7,88.2519,1.87
"dTMP","bmse000296",8,87.8416,3.66
"dTMP","bmse000296",9,73.7576,4.03
"dTMP","bmse000296",10,69.7071,3.43
"dTMP","bmse000296",11,69.6331,3.39
"dTMP","bmse000296",12,68.674,6.88
"dTMP","bmse000296",13,67.0077,1.54
"dTMP","bmse000296",14,66.9519,1.6
"dTMP","bmse000296",15,57.1741,5.62
"dTMP","bmse000296",16,50.7174,6.42
"dTMP","bmse000296",17,47.4494,6.5
"dTMP","bmse000296",18,41.3959,3.4
"dTMP","bmse000296",19,35.6124,12.5
"dTMP","bmse000296",20,27.378,11.97
"dTMP","bmse000296",21,27.3297,7.39
"dTMP","bmse000296",22,14.3887,4.03
"Ethanol","bmse000297",1,60.1347,10.57
"Ethanol","bmse000297",2,19.4922,12.5
"D_Glyceraldehyde","bmse000298",1,92.4619,11.47
"D_Glyceraldehyde","bmse000298",2,76.7643,11.97
"D_Glyceraldehyde","bmse000298",3,67.5383,2.02
"D_Glyceraldehyde","bmse000298",4,64.6757,12.5
"Folate","bmse000299",1,185.1947,10.02
"Folate","bmse000299",2,182.1813,8.33
"Folate","bmse000299",3,171.6618,6.23
"Folate","bmse000299",4,167.4706,1.1
"Folate","bmse000299",5,156.8561,3.58
"Folate","bmse000299",6,154.9662,1.2
"Folate","bmse000299",7,152.4534,5.63
"Folate","bmse000299",8,150.9644,2.57
"Folate","bmse000299",9,150.4027,4.37
"Folate","bmse000299",10,131.6987,1.03
"Folate","bmse000299",11,131.3015,7.38
"Folate","bmse000299",12,129.0129,4.84
"Folate","bmse000299",13,123.0856,5.17
"Folate","bmse000299",14,113.9108,6.41
"Folate","bmse000299",15,58.6333,8.76
"Folate","bmse000299",16,47.4239,2.98
"Folate","bmse000299",17,37.0651,12.5
"Folate","bmse000299",18,31.1742,7.87
"Benzoate","bmse000300",1,138.9121,1.04
"Benzoate","bmse000300",2,133.9731,7.03
"Benzoate","bmse000300",3,131.4957,12.46
"Benzoate","bmse000300",4,131.0181,12.5
"1_3_diaminopropane","bmse000001",1,39.3182,12.5
"1_3_diaminopropane","bmse000001",2,27.6038,6.62
"2_3_diphospho_D_glyceric_acid","bmse000002",1,180.6244,6.14
"2_3_diphospho_D_glyceric_acid","bmse000002",2,77.8926,9.81
"2_3_diphospho_D_glyceric_acid","bmse000002",3,77.8397,8.95
"2_3_diphospho_D_glyceric_acid","bmse000002",4,77.8017,8.58
"2_3_diphospho_D_glyceric_acid","bmse000002",5,77.7593,8.04
"2_3_diphospho_D_glyceric_acid","bmse000002",6,69.2089,12.5
"2_deoxyguanosine","bmse000003",1,140.4376,7.32
"2_deoxyguanosine","bmse000003",2,89.8652,7.61
"2_deoxyguanosine","bmse000003",3,86.6745,9.57
"2_deoxyguanosine","bmse000003",4,73.9059,12.5
"2_deoxyguanosine","bmse000003",5,64.3305,8.45
"2_deoxyguanosine","bmse000003",6,41.3976,8.86
"adenine","bmse000060",1,153.1875,0.8
"adenine","bmse000060",2,151.829,1.02
"adenine","bmse000060",3,147.5748,11.47
"adenine","bmse000060",4,146.3944,12.5
"adenine","bmse000060",5,118.324,0.66
"adenosine","bmse000061",1,155.2065,8.59
"adenosine","bmse000061",2,151.091,3.13
"adenosine","bmse000061",3,143.2708,6.58
"adenosine","bmse000061",4,91.0332,10.74
"adenosine","bmse000061",5,88.5401,11.36
"adenosine","bmse000061",6,76.3929,12.5
"adenosine","bmse000061",7,73.3525,11.01
"adenosine","bmse000061",8,64.2162,10.03
"adenosine","bmse000061",9,133.0864,1.07
"adonitol","bmse000062",1,74.8925,6.76
"adonitol","bmse000062",2,74.8008,11.44
"adonitol","bmse000062",3,65.0705,12.5
"ADP","bmse000004",1,158.1533,6.68
"ADP","bmse000004",2,155.4207,12.01
"ADP","bmse000004",3,151.6456,1.97
"ADP","bmse000004",4,151.5495,1.81
"ADP","bmse000004",5,142.8127,2.95
"ADP","bmse000004",6,142.5832,3.64
"ADP","bmse000004",7,121.1747,1.72
"ADP","bmse000004",8,89.778,10.17
"ADP","bmse000004",9,89.5551,6.01
"ADP","bmse000004",10,87.4621,3.15
"ADP","bmse000004",11,87.3746,3.43
"ADP","bmse000004",12,86.4858,4.81
"ADP","bmse000004",13,86.3979,5.28
"ADP","bmse000004",14,77.2288,6.53
"ADP","bmse000004",15,77.0622,12.5
"ADP","bmse000004",16,73.4056,6.43
"ADP","bmse000004",17,72.6057,12.04
"ADP","bmse000004",18,67.1794,3.82
"ADP","bmse000004",19,67.1297,3.91
"ADP","bmse000004",20,66.2518,2.61
"ADP","bmse000004",21,66.2091,2.71
"agmatine","bmse000063",1,159.5178,1.15
"agmatine","bmse000063",2,43.1542,9.26
"agmatine","bmse000063",3,41.7324,8.53
"agmatine","bmse000063",4,27.7024,11.07
"agmatine","bmse000063",5,26.715,12.5
"D_allose","bmse000008",1,96.1036,10.7
"D_allose","bmse000008",2,95.5286,1.55
"D_allose","bmse000008",3,76.2932,11.82
"D_allose","bmse000008",4,74.3841,1.58
"D_allose","bmse000008",5,73.9304,11.03
"D_allose","bmse000008",6,73.8513,12.02
"D_allose","bmse000008",7,69.7109,1.21
"D_allose","bmse000008",8,69.5516,1.22
"D_allose","bmse000008",9,69.4757,12.5
"D_allose","bmse000008",10,68.7507,2.03
"D_allose","bmse000008",11,63.8517,10.79
"D_allose","bmse000008",12,63.3663,1.24
"D_fructose","bmse000010",1,100.7878,2.8
"D_fructose","bmse000010",2,83.3844,4
"D_fructose","bmse000010",3,78.7409,1.35
"D_fructose","bmse000010",4,78.0833,3.23
"D_fructose","bmse000010",5,77.1431,3.97
"D_fructose","bmse000010",6,72.3808,12.5
"D_fructose","bmse000010",7,71.9017,10.92
"D_fructose","bmse000010",8,70.2559,10.72
"D_fructose","bmse000010",9,66.587,11.06
"D_fructose","bmse000010",10,66.0735,12.1
"D_fructose","bmse000010",11,65.3682,3.85
"D_fructose","bmse000010",12,65.074,4.07
"D_galactose","bmse000013",1,99.1714,10.5
"D_galactose","bmse000013",2,94.9986,5.59
"D_galactose","bmse000013",3,77.8681,12.5
"D_galactose","bmse000013",4,75.5121,11.36
"D_galactose","bmse000013",5,74.5893,11.5
"D_galactose","bmse000013",6,73.1956,6.08
"D_galactose","bmse000013",7,72.0185,5.93
"D_galactose","bmse000013",8,71.879,5.94
"D_galactose","bmse000013",9,71.4595,12.5
"D_galactose","bmse000013",10,71.0589,5.22
"D_galactose","bmse000013",11,63.8951,5.64
"D_galactose","bmse000013",12,63.6909,11.96
"D_glucose","bmse000015",1,98.6177,12.18
"D_glucose","bmse000015",2,94.8017,7.46
"D_glucose","bmse000015",3,78.6602,12.5
"D_glucose","bmse000015",4,78.46,12.38
"D_glucose","bmse000015",5,76.8429,11.94
"D_glucose","bmse000015",6,75.4621,6.95
"D_glucose","bmse000015",7,74.1868,7.96
"D_glucose","bmse000015",8,74.1521,7.85
"D_glucose","bmse000015",9,72.3476,7.59
"D_glucose","bmse000015",10,72.3041,12.25
"D_glucose","bmse000015",11,63.4496,11.55
"D_glucose","bmse000015",12,63.2877,6.43
"D_mannose","bmse000018",1,96.747,10.66
"D_mannose","bmse000018",2,96.3827,5.27
"D_mannose","bmse000018",3,78.8753,4.9
"D_mannose","bmse000018",4,75.7486,5.48
"D_mannose","bmse000018",5,75.1093,11.15
"D_mannose","bmse000018",6,73.9252,5.51
"D_mannose","bmse000018",7,73.3921,10.59
"D_mannose","bmse000018",8,72.9329,10.68
"D_mannose","bmse000018",9,69.5495,10.82
"D_mannose","bmse000018",10,69.3058,5.88
"D_mannose","bmse000018",11,63.666,12.5
"D_psicose","bmse000020",1,105.9793,2.62
"D_psicose","bmse000020",2,101.1482,2.31
"D_psicose","bmse000020",3,85.4184,12.5
"D_psicose","bmse000020",4,77.3405,2.67
"D_psicose","bmse000020",5,74.437,5.54
"D_psicose","bmse000020",6,73.7152,3.61
"D_psicose","bmse000020",7,73.0555,10.59
"D_psicose","bmse000020",8,73.0326,11.16
"D_psicose","bmse000020",9,72.9119,5.49
"D_psicose","bmse000020",10,71.7174,6.08
"D_psicose","bmse000020",11,68.562,7.08
"D_psicose","bmse000020",12,68.1859,7.9
"D_psicose","bmse000020",13,67.7838,6.98
"D_psicose","bmse000020",14,66.8844,6.45
"D_psicose","bmse000020",15,66.6778,4.36
"D_psicose","bmse000020",16,65.9583,9.93
"D_psicose","bmse000020",17,65.7568,6.2
"D_psicose","bmse000020",18,65.5148,3.26
"D_psicose","bmse000020",19,65.0727,3.8
"D_psicose","bmse000020",20,64.029,7.13
"D_psicose","bmse000020",21,60.6736,5.34
"D_sorbose","bmse000022",1,100.4423,2.8
"D_sorbose","bmse000022",2,76.5308,8.63
"D_sorbose","bmse000022",3,73.0506,8.72
"D_sorbose","bmse000022",4,72.1197,12.5
"D_sorbose","bmse000022",5,66.1492,9.88
"D_sorbose","bmse000022",6,64.4696,11
"D_tagatose","bmse000023",1,100.9098,3.49
"D_tagatose","bmse000023",2,73.6229,12.5
"D_tagatose","bmse000023",3,72.484,10.38
"D_tagatose","bmse000023",4,71.9743,2.2
"D_tagatose","bmse000023",5,69.0595,10.53
"D_tagatose","bmse000023",6,66.5918,10.06
"D_tagatose","bmse000023",7,66.403,1.92
"D_tagatose","bmse000023",8,66.1917,1.73
"D_tagatose","bmse000023",9,64.9495,7.98
"D_tagatose","bmse000023",10,62.8345,1.69
"D_xylose","bmse000026",1,99.3304,11.78
"D_xylose","bmse000026",2,94.9405,6.48
"D_xylose","bmse000026",3,78.526,10.11
"D_xylose","bmse000026",4,76.7418,12.5
"D_xylose","bmse000026",5,75.5229,5.77
"D_xylose","bmse000026",6,74.1661,6.42
"D_xylose","bmse000026",7,72.1118,6.54
"D_xylose","bmse000026",8,71.9378,12.28
"D_xylose","bmse000026",9,67.899,10.25
"D_xylose","bmse000026",10,63.6456,5.21
"alpha_ketoglutaric_acid","bmse000064",1,184.1528,2.07
"alpha_ketoglutaric_acid","bmse000064",2,38.5723,12.5
"alpha_ketoglutaric_acid","bmse000064",3,33.3219,9.83
"alpha_lactose","bmse000065",1,105.6382,8.25
"alpha_lactose","bmse000065",2,98.4725,7.33
"alpha_lactose","bmse000065",3,94.539,4.05
"alpha_lactose","bmse000065",4,81.1636,3.89
"alpha_lactose","bmse000065",5,81.0377,6.84
"alpha_lactose","bmse000065",6,78.0734,12.5
"alpha_lactose","bmse000065",7,77.522,7.34
"alpha_lactose","bmse000065",8,77.0808,7.32
"alpha_lactose","bmse000065",9,76.5296,7.28
"alpha_lactose","bmse000065",10,75.2407,11.24
"alpha_lactose","bmse000065",11,74.1286,4.28
"alpha_lactose","bmse000065",12,73.8715,4.75
"alpha_lactose","bmse000065",13,73.6835,9.31
"alpha_lactose","bmse000065",14,72.8271,3.84
"alpha_lactose","bmse000065",15,71.272,8.2
"alpha_lactose","bmse000065",16,63.7524,7.27
"alpha_lactose","bmse000065",17,62.8108,4.95
"alpha_lactose","bmse000065",18,62.6765,3.11
"4_aminobenzoic_acid","bmse000066",1,133.5667,12.5
"4_aminobenzoic_acid","bmse000066",2,128.9442,1.1
"4_aminobenzoic_acid","bmse000066",3,117.8119,11.36
"AMP","bmse000005",1,158.1415,3.52
"AMP","bmse000005",2,155.4083,9.41
"AMP","bmse000005",3,151.6344,4.45
"AMP","bmse000005",4,142.8031,7.78
"AMP","bmse000005",5,121.1486,2.72
"AMP","bmse000005",6,89.5563,11.53
"AMP","bmse000005",7,87.4594,6.04
"AMP","bmse000005",8,87.3722,6.06
"AMP","bmse000005",9,77.2299,12.5
"AMP","bmse000005",10,73.4036,12.24
"AMP","bmse000005",11,66.25,4.83
"AMP","bmse000005",12,66.2055,5.13
"anthranilic_acid","bmse000067",1,150.2702,2.1
"anthranilic_acid","bmse000067",2,134.7227,10.28
"anthranilic_acid","bmse000067",3,133.6538,12.5
"anthranilic_acid","bmse000067",4,123.4956,1.99
"anthranilic_acid","bmse000067",5,120.6937,11.1
"anthranilic_acid","bmse000067",6,120.3926,11.42
"L_arabitol","bmse000068",1,73.609,12.5
"L_arabitol","bmse000068",2,73.1399,11.93
"L_arabitol","bmse000068",3,72.9514,12.49
"L_arabitol","bmse000068",4,65.7296,10.81
"L_arabitol","bmse000068",5,65.6383,9.86
"ATP","bmse000006",1,158.2621,4.05
"ATP","bmse000006",2,155.4997,9.32
"ATP","bmse000006",3,151.7848,3.62
"ATP","bmse000006",4,142.6155,7.12
"ATP","bmse000006",5,121.2616,2.51
"ATP","bmse000006",6,89.3634,10.94
"ATP","bmse000006",7,86.7432,5.75
"ATP","bmse000006",8,86.6543,5.65
"ATP","bmse000006",9,76.9481,12.5
"ATP","bmse000006",10,72.9427,11.75
"ATP","bmse000006",11,67.8017,4.32
"ATP","bmse000006",12,67.7473,4.42
"betaine","bmse000069",1,171.9654,1.21
"betaine","bmse000069",2,68.893,3.07
"betaine","bmse000069",3,68.8587,3.29
"betaine","bmse000069",4,68.8297,3.27
"betaine","bmse000069",5,56.0898,10.14
"betaine","bmse000069",6,56.0509,12.5
"betaine","bmse000069",7,56.0118,10.21
"betaine_aldehyde","bmse000070",1,87.5694,9.74
"betaine_aldehyde","bmse000070",2,56.9587,10.45
"betaine_aldehyde","bmse000070",3,56.9195,12.5
"betaine_aldehyde","bmse000070",4,56.8886,11.17
"cadaverine","bmse000072",1,41.871,11.66
"cadaverine","bmse000072",2,28.9617,12.5
"cadaverine","bmse000072",3,25.3762,5.64
"cAMP","bmse000071",1,158.0318,4.3
"cAMP","bmse000071",2,155.524,10.63
"cAMP","bmse000071",3,150.7719,4.62
"cAMP","bmse000071",4,142.3466,9.68
"cAMP","bmse000071",5,121.2041,3.29
"cAMP","bmse000071",6,94.2109,12.5
"cAMP","bmse000071",7,80.0206,6.2
"cAMP","bmse000071",8,79.9754,6.98
"cAMP","bmse000071",9,75.0214,7.05
"cAMP","bmse000071",10,74.9418,7.25
"cAMP","bmse000071",11,74.463,6.46
"cAMP","bmse000071",12,70.0836,5.58
"cAMP","bmse000071",13,70.0142,5.05
"L_canavanine","bmse000073",1,177.0117,3.9
"L_canavanine","bmse000073",2,161.2671,2
"L_canavanine","bmse000073",3,74.5403,11.99
"L_canavanine","bmse000073",4,55.2855,12.02
"L_canavanine","bmse000073",5,31.809,12.5
"D_carnitine","bmse000074",1,180.7779,2.25
"D_carnitine","bmse000074",2,72.8193,4.47
"D_carnitine","bmse000074",3,72.7942,3.83
"D_carnitine","bmse000074",4,66.791,9.37
"D_carnitine","bmse000074",5,56.8328,10.48
"D_carnitine","bmse000074",6,56.7941,12.5
"D_carnitine","bmse000074",7,56.7554,10.44
"D_carnitine","bmse000074",8,45.6802,6.79
"chorismic_acid","bmse000075",1,155.9825,4.51
"chorismic_acid","bmse000075",2,137.1007,3.63
"chorismic_acid","bmse000075",3,132.6303,11.7
"chorismic_acid","bmse000075",4,131.7674,9.54
"chorismic_acid","bmse000075",5,126.7891,9.9
"chorismic_acid","bmse000075",6,95.5643,8.84
"chorismic_acid","bmse000075",7,82.3153,12.5
"chorismic_acid","bmse000075",8,72.8256,12.45
"citrate","bmse000076",1,184.7215,1.13
"citrate","bmse000076",2,182.0353,2.11
"citrate","bmse000076",3,77.9249,1.44
"citrate","bmse000076",4,48.4023,12.5
"coumarin","bmse000077",1,163.4646,0.72
"coumarin","bmse000077",2,156.7265,1.12
"coumarin","bmse000077",3,146.1206,6.54
"coumarin","bmse000077",4,134.5133,12.5
"coumarin","bmse000077",5,130.5441,8.87
"coumarin","bmse000077",6,127.1083,11.93
"coumarin","bmse000077",7,121.5098,1.08
"coumarin","bmse000077",8,119.5804,6.82
"coumarin","bmse000077",9,119.3784,7.14
"creatine","bmse000078",1,177.3494,1.87
"creatine","bmse000078",2,56.549,12.5
"creatine","bmse000078",3,39.6249,7.16
"creatine_phosphate","bmse000079",1,177.5977,1.69
"creatine_phosphate","bmse000079",2,56.5658,12.5
"creatine_phosphate","bmse000079",3,39.5149,7.02
"dehydro_proline","bmse000080",1,174.9837,1.15
"dehydro_proline","bmse000080",2,128.3998,11.9
"dehydro_proline","bmse000080",3,128.1163,10.28
"dehydro_proline","bmse000080",4,71.129,8.12
"dehydro_proline","bmse000080",5,55.1054,12.5
"D_3_phosphoglyceric_acid","bmse000007",1,181.5589,4.18
"D_3_phosphoglyceric_acid","bmse000007",2,75.6758,11.64
"D_3_phosphoglyceric_acid","bmse000007",3,75.5997,9.71
"D_3_phosphoglyceric_acid","bmse000007",4,69.5144,10.45
"D_3_phosphoglyceric_acid","bmse000007",5,69.4639,12.5
"D_fructose_1_6_bisphosphate","bmse000011",1,107.7441,1.24
"D_fructose_1_6_bisphosphate","bmse000011",2,107.6859,1.45
"D_fructose_1_6_bisphosphate","bmse000011",3,103.7998,2.79
"D_fructose_1_6_bisphosphate","bmse000011",4,103.7169,2.58
"D_fructose_1_6_bisphosphate","bmse000011",5,84.7524,1.84
"D_fructose_1_6_bisphosphate","bmse000011",6,84.6734,1.8
"D_fructose_1_6_bisphosphate","bmse000011",7,84.1618,3.88
"D_fructose_1_6_bisphosphate","bmse000011",8,82.4331,4.33
"D_fructose_1_6_bisphosphate","bmse000011",9,82.3517,4.54
"D_fructose_1_6_bisphosphate","bmse000011",10,79.436,3.58
"D_fructose_1_6_bisphosphate","bmse000011",11,78.4857,12.5
"D_fructose_1_6_bisphosphate","bmse000011",12,76.8309,8.44
"D_fructose_1_6_bisphosphate","bmse000011",13,68.3534,4.96
"D_fructose_1_6_bisphosphate","bmse000011",14,67.3714,1.78
"D_fructose_1_6_bisphosphate","bmse000011",15,67.0519,6.07
"D_fructose_1_6_bisphosphate","bmse000011",16,67.0078,5.96
"D_fructose_1_6_bisphosphate","bmse000011",17,66.9036,2.2
"D_fructose_1_6_bisphosphate","bmse000011",18,66.8591,2.2
"D_fructose_6_phosphate","bmse000012",1,107.1352,1.18
"D_fructose_6_phosphate","bmse000012",2,104.1799,5.96
"D_fructose_6_phosphate","bmse000012",3,84.4579,2.69
"D_fructose_6_phosphate","bmse000012",4,83.1582,1.38
"D_fructose_6_phosphate","bmse000012",5,83.081,1.12
"D_fructose_6_phosphate","bmse000012",6,82.6592,6.1
"D_fructose_6_phosphate","bmse000012",7,82.5783,5.8
"D_fructose_6_phosphate","bmse000012",8,78.536,2.85
"D_fructose_6_phosphate","bmse000012",9,77.8697,12.5
"D_fructose_6_phosphate","bmse000012",10,77.0604,11.73
"D_fructose_6_phosphate","bmse000012",11,67.0498,5.65
"D_fructose_6_phosphate","bmse000012",12,67.0041,5.36
"D_fructose_6_phosphate","bmse000012",13,66.1661,1.42
"D_fructose_6_phosphate","bmse000012",14,65.5593,2.38
"D_fructose_6_phosphate","bmse000012",15,65.331,9.82
"D_glucosamine","bmse000014",1,96.4205,8.72
"D_glucosamine","bmse000014",2,92.2506,9.77
"D_glucosamine","bmse000014",3,78.8513,9.64
"D_glucosamine","bmse000014",4,75.5831,6.35
"D_glucosamine","bmse000014",5,74.3295,12.27
"D_glucosamine","bmse000014",6,72.756,10.13
"D_glucosamine","bmse000014",7,72.4003,6.63
"D_glucosamine","bmse000014",8,72.3164,12.5
"D_glucosamine","bmse000014",9,63.2588,6.09
"D_glucosamine","bmse000014",10,63.0618,8.38
"D_glucosamine","bmse000014",11,59.6201,8.02
"D_glucosamine","bmse000014",12,57.0959,11.82
"D_glucose_6_phosphate","bmse000016",1,98.7788,8.55
"D_glucose_6_phosphate","bmse000016",2,94.9276,4.89
"D_glucose_6_phosphate","bmse000016",3,78.1764,4.82
"D_glucose_6_phosphate","bmse000016",4,78.106,3.56
"D_glucose_6_phosphate","bmse000016",5,77.9455,6.69
"D_glucose_6_phosphate","bmse000016",6,76.9831,9.41
"D_glucose_6_phosphate","bmse000016",7,75.0341,3.92
"D_glucose_6_phosphate","bmse000016",8,74.314,4.27
"D_glucose_6_phosphate","bmse000016",9,73.8171,2.12
"D_glucose_6_phosphate","bmse000016",10,73.7484,2.83
"D_glucose_6_phosphate","bmse000016",11,71.7635,12.5
"D_glucose_6_phosphate","bmse000016",12,65.5737,3.84
"D_glucose_6_phosphate","bmse000016",13,65.5308,3.24
"D_glucose_6_phosphate","bmse000016",14,65.4799,2.31
"D_maltose","bmse000017",1,102.3099,6.16
"D_maltose","bmse000017",2,102.2275,9.38
"D_maltose","bmse000017",3,98.4704,10.34
"D_maltose","bmse000017",4,94.5912,6.33
"D_maltose","bmse000017",5,79.5285,5.17
"D_maltose","bmse000017",6,79.3217,8.47
"D_maltose","bmse000017",7,78.9276,9.15
"D_maltose","bmse000017",8,77.2648,10.83
"D_maltose","bmse000017",9,76.7045,8.61
"D_maltose","bmse000017",10,75.9471,5.48
"D_maltose","bmse000017",11,75.5584,7.84
"D_maltose","bmse000017",12,75.5345,10.55
"D_maltose","bmse000017",13,75.3859,9.92
"D_maltose","bmse000017",14,74.4492,5.89
"D_maltose","bmse000017",15,74.3558,8.17
"D_maltose","bmse000017",16,73.9924,5.77
"D_maltose","bmse000017",17,72.6486,6.16
"D_maltose","bmse000017",18,72.0198,8.44
"D_maltose","bmse000017",19,63.4361,6.09
"D_maltose","bmse000017",20,63.2871,4.41
"D_maltose","bmse000017",21,63.1596,12.5
"D_ornithine","bmse000019",1,56.8208,12.5
"D_ornithine","bmse000019",2,41.5722,10.12
"D_ornithine","bmse000019",3,30.1825,12.11
"D_ornithine","bmse000019",4,25.4604,8.77
"D_threo_isocitric_acid","bmse000025",1,183.683,6.79
"D_threo_isocitric_acid","bmse000025",2,182.958,3.11
"D_threo_isocitric_acid","bmse000025",3,76.3916,11.16
"D_threo_isocitric_acid","bmse000025",4,51.8047,12.5
"D_threo_isocitric_acid","bmse000025",5,40.3285,10.98
"D_xylulose","bmse000027",1,108.4502,1.01
"D_xylulose","bmse000027",2,105.6511,3.08
"D_xylulose","bmse000027",3,83.18,3.1
"D_xylulose","bmse000027",4,78.9065,11.61
"D_xylulose","bmse000027",5,78.5426,3.96
"D_xylulose","bmse000027",6,78.011,2.93
"D_xylulose","bmse000027",7,77.5565,9.89
"D_xylulose","bmse000027",8,74.6749,2.45
"D_xylulose","bmse000027",9,74.6163,2.47
"D_xylulose","bmse000027",10,72.5201,10.76
"D_xylulose","bmse000027",11,68.7345,3.03
"D_xylulose","bmse000027",12,65.6799,12.5
"D_xylulose","bmse000027",13,65.1062,3.07
"D_xylulose","bmse000027",14,64.5556,3.06
"fumaric_acid","bmse000083",1,177.424,1.91
"fumaric_acid","bmse000083",2,138.042,12.5
"gluconic_acid","bmse000084",1,181.3386,1.89
"gluconic_acid","bmse000084",2,76.7743,10.33
"gluconic_acid","bmse000084",3,75.2613,9.8
"gluconic_acid","bmse000084",4,73.8705,12.36
"gluconic_acid","bmse000084",5,73.6525,10.2
"gluconic_acid","bmse000084",6,65.308,12.5
"alpha_D_glucose_1_phosphate","bmse000086",1,96.3867,5.99
"alpha_D_glucose_1_phosphate","bmse000086",2,96.3335,6.2
"alpha_D_glucose_1_phosphate","bmse000086",3,75.8391,10.34
"alpha_D_glucose_1_phosphate","bmse000086",4,74.9392,5.94
"alpha_D_glucose_1_phosphate","bmse000086",5,74.871,6.51
"alpha_D_glucose_1_phosphate","bmse000086",6,74.7037,12.5
"alpha_D_glucose_1_phosphate","bmse000086",7,72.4482,11.49
"alpha_D_glucose_1_phosphate","bmse000086",8,63.3999,9.58
"alpha_D_glucose_1_6_bisphosphate","bmse000087",1,96.6014,6.13
"alpha_D_glucose_1_6_bisphosphate","bmse000087",2,96.5465,7.96
"alpha_D_glucose_1_6_bisphosphate","bmse000087",3,75.3449,11.03
"alpha_D_glucose_1_6_bisphosphate","bmse000087",4,75.0612,6.57
"alpha_D_glucose_1_6_bisphosphate","bmse000087",5,74.9873,7.68
"alpha_D_glucose_1_6_bisphosphate","bmse000087",6,74.3802,6.65
"alpha_D_glucose_1_6_bisphosphate","bmse000087",7,74.317,7.4
"alpha_D_glucose_1_6_bisphosphate","bmse000087",8,71.5781,12.5
"alpha_D_glucose_1_6_bisphosphate","bmse000087",9,65.3993,4.84
"alpha_D_glucose_1_6_bisphosphate","bmse000087",10,65.3536,5.06
"glycine","bmse000089",1,175.1557,1.97
"glycine","bmse000089",2,44.1252,12.5
"guanine","bmse000090",1,170.3632,9.04
"guanine","bmse000090",2,163.6535,12.5
"guanine","bmse000090",3,161.8796,11.9
"guanine","bmse000090",4,120.9619,9.12
"guanosine","bmse000091",1,170.5025,1.71
"guanosine","bmse000091",2,163.3657,1.47
"guanosine","bmse000091",3,153.5645,2.67
"guanosine","bmse000091",4,139.3656,9.14
"guanosine","bmse000091",5,121.0084,1.46
"guanosine","bmse000091",6,90.841,11.95
"guanosine","bmse000091",7,88.5938,12.21
"guanosine","bmse000091",8,75.8197,12.21
"guanosine","bmse000091",9,73.7609,12.5
"guanosine","bmse000091",10,64.5009,9.96
"4_hydroxybenzoic_acid","bmse000092",1,161.2131,1.26
"4_hydroxybenzoic_acid","bmse000092",2,133.942,12.5
"4_hydroxybenzoic_acid","bmse000092",3,130.8287,1.62
"4_hydroxybenzoic_acid","bmse000092",4,117.592,10.22
"trans_3_hydroxycinnamic_acid","bmse000093",1,178.4192,2.27
"trans_3_hydroxycinnamic_acid","bmse000093",2,158.5422,3.6
"trans_3_hydroxycinnamic_acid","bmse000093",3,143.1901,8.95
"trans_3_hydroxycinnamic_acid","bmse000093",4,139.6042,3.48
"trans_3_hydroxycinnamic_acid","bmse000093",5,133.0298,11.46
"trans_3_hydroxycinnamic_acid","bmse000093",6,127.174,8.41
"trans_3_hydroxycinnamic_acid","bmse000093",7,122.9365,12.5
"trans_3_hydroxycinnamic_acid","bmse000093",8,119.3249,10.36
"trans_3_hydroxycinnamic_acid","bmse000093",9,116.6163,10.36
"hypoxanthine","bmse000094",1,164.9523,1.17
"hypoxanthine","bmse000094",2,159.7264,2.08
"hypoxanthine","bmse000094",3,150.37,10.69
"hypoxanthine","bmse000094",4,149.1756,12.5
"hypoxanthine","bmse000094",5,123.2364,1.06
"imidazole","bmse000096",1,137.7708,3.03
"imidazole","bmse000096",2,123.4233,12.5
"indole","bmse000097",1,138.3981,1.25
"indole","bmse000097",2,130.4755,1.24
"indole","bmse000097",3,126.7831,8.65
"indole","bmse000097",4,124.6229,12.5
"indole","bmse000097",5,123.3758,10.66
"indole","bmse000097",6,122.4493,10.48
"indole","bmse000097",7,113.6756,9.74
"indole","bmse000097",8,105.2378,11.58
"inosine","bmse000098",1,151.078,2.3
"inosine","bmse000098",2,148.9185,8.98
"inosine","bmse000098",3,142.8874,7.4
"inosine","bmse000098",4,126.8411,1.65
"inosine","bmse000098",5,91.1086,8.08
"inosine","bmse000098",6,88.2694,11.43
"inosine","bmse000098",7,76.7759,12.5
"inosine","bmse000098",8,73.0828,10.32
"inosine","bmse000098",9,64.0173,8.72
"i_erythritol","bmse000095",1,74.6148,12.5
"i_erythritol","bmse000095",2,65.3077,8.45
"L_alanine","bmse000028",1,178.5574,1.16
"L_alanine","bmse000028",2,53.2035,9.48
"L_alanine","bmse000028",3,18.8465,12.5
"L_arginine","bmse000029",1,177.2125,3.21
"L_arginine","bmse000029",2,57.0216,10.14
"L_arginine","bmse000029",3,43.2011,12.5
"L_arginine","bmse000029",4,30.2885,11.19
"L_arginine","bmse000029",5,26.5758,9.54
"L_asparagine","bmse000030",1,177.1771,1.47
"L_asparagine","bmse000030",2,176.209,1.94
"L_asparagine","bmse000030",3,53.9932,12.5
"L_asparagine","bmse000030",4,37.2983,11.26
"L_aspartic_acid","bmse000031",1,180.297,3.41
"L_aspartic_acid","bmse000031",2,176.9954,2.67
"L_aspartic_acid","bmse000031",3,54.9142,11.68
"L_aspartic_acid","bmse000031",4,39.2604,12.5
"L_citrulline","bmse000032",1,177.3878,3.15
"L_citrulline","bmse000032",2,164.2805,1.25
"L_citrulline","bmse000032",3,57.2048,11.84
"L_citrulline","bmse000032",4,41.9551,1.88
"L_citrulline","bmse000032",5,30.4444,12.5
"L_citrulline","bmse000032",6,27.6682,7.93
"L_cystathionine","bmse000033",1,56.4392,8
"L_cystathionine","bmse000033",2,56.2614,10.81
"L_cystathionine","bmse000033",3,34.8058,9.84
"L_cystathionine","bmse000033",4,32.8913,9.2
"L_cystathionine","bmse000033",5,29.7625,12.5
"L_cysteine","bmse000034",1,58.731,9.48
"L_cysteine","bmse000034",2,27.687,12.5
"L_cystine","bmse000035",1,183.331,3.03
"L_cystine","bmse000035",2,57.5783,12.5
"L_cystine","bmse000035",3,46.0281,10.99
"L_fucose","bmse000036",1,98.936,11.78
"L_fucose","bmse000036",2,94.9206,4.76
"L_fucose","bmse000036",3,75.6252,9.59
"L_fucose","bmse000036",4,74.6014,4.86
"L_fucose","bmse000036",5,74.3627,10.92
"L_fucose","bmse000036",6,74.1543,8.8
"L_fucose","bmse000036",7,73.586,9.85
"L_fucose","bmse000036",8,71.9701,4.6
"L_fucose","bmse000036",9,70.7832,3.67
"L_fucose","bmse000036",10,69.0314,4.4
"L_fucose","bmse000036",11,18.2232,12.5
"L_glutamic_acid","bmse000037",1,184.0438,2.16
"L_glutamic_acid","bmse000037",2,177.297,1.79
"L_glutamic_acid","bmse000037",3,57.3356,12.29
"L_glutamic_acid","bmse000037",4,36.1753,9.58
"L_glutamic_acid","bmse000037",5,29.6742,12.5
"L_glutamine","bmse000038",1,180.3694,1.86
"L_glutamine","bmse000038",2,176.8264,2.47
"L_glutamine","bmse000038",3,56.8326,9.96
"L_glutamine","bmse000038",4,33.528,10.99
"L_glutamine","bmse000038",5,28.9528,12.5
"L_histidine","bmse000039",1,176.6511,1.83
"L_histidine","bmse000039",2,138.9728,9.16
"L_histidine","bmse000039",3,134.6686,2.25
"L_histidine","bmse000039",4,119.5492,8.47
"L_histidine","bmse000039",5,57.4737,12.5
"L_histidine","bmse000039",6,30.7804,11.71
"L_homoserine","bmse000040",1,177.2374,1.7
"L_homoserine","bmse000040",2,61.3363,12.5
"L_homoserine","bmse000040",3,56.0719,8.39
"L_homoserine","bmse000040",4,34.8823,11.17
"L_isoleucine","bmse000041",1,176.9223,1.89
"L_isoleucine","bmse000041",2,62.2493,12.5
"L_isoleucine","bmse000041",3,38.5957,9.56
"L_isoleucine","bmse000041",4,27.1531,12.15
"L_isoleucine","bmse000041",5,17.3893,8.4
"L_isoleucine","bmse000041",6,13.8035,7.76
"L_leucine","bmse000042",1,178.3284,2.9
"L_leucine","bmse000042",2,56.1175,11.06
"L_leucine","bmse000042",3,42.5151,11.41
"L_leucine","bmse000042",4,26.8579,12.5
"L_leucine","bmse000042",5,24.7283,9.43
"L_leucine","bmse000042",6,23.5808,12.45
"L_lysine","bmse000043",1,177.4077,2.58
"L_lysine","bmse000043",2,57.1969,9.77
"L_lysine","bmse000043",3,41.7595,10.04
"L_lysine","bmse000043",4,32.6068,10.59
"L_lysine","bmse000043",5,29.1125,12.5
"L_lysine","bmse000043",6,24.1325,10.95
"malic_acid","bmse000046",1,183.7669,2.25
"malic_acid","bmse000046",2,182.5706,2
"malic_acid","bmse000046",3,73.0495,9.52
"malic_acid","bmse000046",4,45.3174,12.5
"L_methionine","bmse000044",1,177.0256,1.63
"L_methionine","bmse000044",2,56.5949,11.7
"L_methionine","bmse000044",3,32.3948,11.02
"L_methionine","bmse000044",4,31.5117,12.5
"L_methionine","bmse000044",5,16.6207,5.66
"L_phenylalanine","bmse000045",1,137.8245,2.32
"L_phenylalanine","bmse000045",2,132.08,12.5
"L_phenylalanine","bmse000045",3,131.8234,9.6
"L_phenylalanine","bmse000045",4,130.4017,5.37
"L_phenylalanine","bmse000045",5,58.7477,5.25
"L_phenylalanine","bmse000045",6,39.0993,5.55
"L_proline","bmse000047",1,177.4144,1.3
"L_proline","bmse000047",2,63.9229,11.05
"L_proline","bmse000047",3,48.7631,9.32
"L_proline","bmse000047",4,31.6863,12.5
"L_proline","bmse000047",5,26.4548,9.6
"L_serine","bmse000048",1,62.8928,12.5
"L_serine","bmse000048",2,59.0815,8.62
"L_threonine","bmse000049",1,175.6411,1.16
"L_threonine","bmse000049",2,68.6408,12.03
"L_threonine","bmse000049",3,63.1368,12.5
"L_threonine","bmse000049",4,22.1352,12.2
"L_tryptophan","bmse000050",1,177.255,2.71
"L_tryptophan","bmse000050",2,139.0401,1.59
"L_tryptophan","bmse000050",3,129.3512,1.89
"L_tryptophan","bmse000050",4,127.7463,10.84
"L_tryptophan","bmse000050",5,124.8346,12.27
"L_tryptophan","bmse000050",6,122.1638,12.5
"L_tryptophan","bmse000050",7,121.1566,12.38
"L_tryptophan","bmse000050",8,114.6587,10.23
"L_tryptophan","bmse000050",9,110.1782,4.04
"L_tryptophan","bmse000050",10,57.7537,11.28
"L_tryptophan","bmse000050",11,29.1016,11.57
"L_tyrosine","bmse000051",1,184.1279,1.35
"L_tyrosine","bmse000051",2,163.7886,1.13
"L_tyrosine","bmse000051",3,133.3998,10.61
"L_tyrosine","bmse000051",4,128.0459,2.21
"L_tyrosine","bmse000051",5,120.2955,12.5
"L_tyrosine","bmse000051",6,60.0412,5.12
"L_tyrosine","bmse000051",7,41.8233,4.45
"L_valine","bmse000052",1,63.0706,10.1
"L_valine","bmse000052",2,31.7958,11.73
"L_valine","bmse000052",3,20.6547,12.29
"L_valine","bmse000052",4,19.3267,12.5
"D_mannitol","bmse000099",1,73.4901,12.5
"D_mannitol","bmse000099",2,71.9258,8.62
"D_mannitol","bmse000099",3,65.9197,11.81
"meso_erythritol","bmse000100",1,74.6159,12.5
"meso_erythritol","bmse000100",2,65.309,8.37
"methyl_oxobutanoic_acid","bmse000101",1,39.7045,5.48
"methyl_oxobutanoic_acid","bmse000101",2,19.0607,12.5
"muco_inositol","bmse000102",1,75.0137,6.8
"muco_inositol","bmse000102",2,72.8728,12.5
"myo_inositol","bmse000103",1,77.0519,5.9
"myo_inositol","bmse000103",2,75.1054,12.5
"myo_inositol","bmse000103",3,74.8867,4.4
"myo_inositol","bmse000103",4,73.8316,10.8
"NAD","bmse000053",1,167.8653,3.69
"NAD","bmse000053",2,158.0181,4.21
"NAD","bmse000053",3,155.468,8.5
"NAD","bmse000053",4,151.5966,5.8
"NAD","bmse000053",5,148.4441,6.77
"NAD","bmse000053",6,145.0618,5.64
"NAD","bmse000053",7,142.6338,5.11
"NAD","bmse000053",8,142.3914,7.13
"NAD","bmse000053",9,136.3277,6.28
"NAD","bmse000053",10,131.3233,7.72
"NAD","bmse000053",11,121.0165,3.15
"NAD","bmse000053",12,102.7367,9.04
"NAD","bmse000053",13,89.7361,5.45
"NAD","bmse000053",14,89.6488,5.15
"NAD","bmse000053",15,89.3547,10.54
"NAD","bmse000053",16,86.5859,5.25
"NAD","bmse000053",17,86.4979,5.24
"NAD","bmse000053",18,80.3065,12.5
"NAD","bmse000053",19,76.6526,12.24
"NAD","bmse000053",20,73.2929,11.75
"NAD","bmse000053",21,73.0829,11.48
"NAD","bmse000053",22,68.1579,4.36
"NAD","bmse000053",23,68.1059,4.27
"NAD","bmse000053",24,67.6491,4.7
"NAD","bmse000053",25,67.5973,4.24
"NADH","bmse000054",1,175.3474,5.48
"NADH","bmse000054",2,158.1968,4.24
"NADH","bmse000054",3,155.4171,8.83
"NADH","bmse000054",4,151.5844,5.71
"NADH","bmse000054",5,142.3515,6.8
"NADH","bmse000054",6,141.1257,9.71
"NADH","bmse000054",7,126.4094,7.79
"NADH","bmse000054",8,121.2963,4.16
"NADH","bmse000054",9,108.0387,9.52
"NADH","bmse000054",10,102.5371,7.01
"NADH","bmse000054",11,97.7448,9.22
"NADH","bmse000054",12,89.7936,11.06
"NADH","bmse000054",13,86.3582,5.51
"NADH","bmse000054",14,85.0981,5.6
"NADH","bmse000054",15,77.2518,12.23
"NADH","bmse000054",16,73.4643,12.14
"NADH","bmse000054",17,73.2824,12.5
"NADH","bmse000054",18,72.9239,9.04
"NADH","bmse000054",19,68.6321,4.65
"NADH","bmse000054",20,67.8556,4.52
"NADH","bmse000054",21,24.5551,8.23
"NADH","bmse000054",22,19.5029,3.45
"NADPH","bmse000055",1,175.4549,3.91
"NADPH","bmse000055",2,158.2562,4.4
"NADPH","bmse000055",3,155.3726,8.4
"NADPH","bmse000055",4,151.6612,4.78
"NADPH","bmse000055",5,142.7666,6.52
"NADPH","bmse000055",6,141.0746,8.37
"NADPH","bmse000055",7,126.4637,8.6
"NADPH","bmse000055",8,108.0154,8.41
"NADPH","bmse000055",9,102.5834,6.37
"NADPH","bmse000055",10,97.6847,9.4
"NADPH","bmse000055",11,89.5671,4.71
"NADPH","bmse000055",12,89.4832,4.7
"NADPH","bmse000055",13,85.6232,4.52
"NADPH","bmse000055",14,85.136,4.45
"NADPH","bmse000055",15,79.2632,4.94
"NADPH","bmse000055",16,73.4756,12.5
"NADPH","bmse000055",17,73.324,11.5
"NADPH","bmse000055",18,72.7309,8.21
"NADPH","bmse000055",19,68.5416,4.39
"NADPH","bmse000055",20,67.9571,5.25
"NADPH","bmse000055",21,24.6213,6.74
"niacin","bmse000104",1,176.0593,0.88
"niacin","bmse000104",2,153.1473,12.5
"niacin","bmse000104",3,151.7346,9.43
"niacin","bmse000104",4,140.3918,11.16
"niacin","bmse000104",5,135.0395,2.37
"niacin","bmse000104",6,126.6461,10.94
"nicotine","bmse000105",1,152.9553,11.86
"nicotine","bmse000105",2,151.8079,8.39
"nicotine","bmse000105",3,139.9786,11.24
"nicotine","bmse000105",4,132.2848,2.82
"nicotine","bmse000105",5,127.6138,11.08
"nicotine","bmse000105",6,72.3903,8.23
"nicotine","bmse000105",7,58.7754,9.8
"nicotine","bmse000105",8,40.9138,11.41
"nicotine","bmse000105",9,33.0757,8.96
"nicotine","bmse000105",10,24.2203,12.5
"N_acetylneuraminic_acid","bmse000057",1,179.4931,2.99
"N_acetylneuraminic_acid","bmse000057",2,177.4691,5.36
"N_acetylneuraminic_acid","bmse000057",3,99.1066,6.81
"N_acetylneuraminic_acid","bmse000057",4,73.0136,10.35
"N_acetylneuraminic_acid","bmse000057",5,72.9084,11.02
"N_acetylneuraminic_acid","bmse000057",6,71.2583,9.48
"N_acetylneuraminic_acid","bmse000057",7,70.0063,10.08
"N_acetylneuraminic_acid","bmse000057",8,66.0063,10.13
"N_acetylneuraminic_acid","bmse000057",9,54.9693,12.5
"N_acetylneuraminic_acid","bmse000057",10,42.0905,8.84
"N_acetylneuraminic_acid","bmse000057",11,24.8195,11.34
"N_acetyl_D_mannosamine","bmse000056",1,178.4248,1.93
"N_acetyl_D_mannosamine","bmse000056",2,177.4968,2.6
"N_acetyl_D_mannosamine","bmse000056",3,95.8209,8.31
"N_acetyl_D_mannosamine","bmse000056",4,95.688,9.13
"N_acetyl_D_mannosamine","bmse000056",5,79.0399,10.23
"N_acetyl_D_mannosamine","bmse000056",6,74.7525,9.08
"N_acetyl_D_mannosamine","bmse000056",7,74.6939,8.91
"N_acetyl_D_mannosamine","bmse000056",8,71.5593,11.26
"N_acetyl_D_mannosamine","bmse000056",9,69.4618,11.11
"N_acetyl_D_mannosamine","bmse000056",10,69.1894,8.23
"N_acetyl_D_mannosamine","bmse000056",11,63.0714,12.5
"N_acetyl_D_mannosamine","bmse000056",12,56.7834,6.76
"N_acetyl_D_mannosamine","bmse000056",13,55.9143,11.74
"N_acetyl_D_mannosamine","bmse000056",14,24.7467,6.42
"N_acetyl_D_mannosamine","bmse000056",15,24.6103,7.83
"oxalate","bmse000106",1,176.1386,12.5
"O_succinyl_L_homoserine","bmse000058",1,183.8863,2.56
"O_succinyl_L_homoserine","bmse000058",2,178.3647,2.14
"O_succinyl_L_homoserine","bmse000058",3,176.7702,2.64
"O_succinyl_L_homoserine","bmse000058",4,64.4599,9.53
"O_succinyl_L_homoserine","bmse000058",5,55.5165,8.79
"O_succinyl_L_homoserine","bmse000058",6,35.6935,1.47
"O_succinyl_L_homoserine","bmse000058",7,34.6435,11.39
"O_succinyl_L_homoserine","bmse000058",8,33.1998,12.5
"O_succinyl_L_homoserine","bmse000058",9,32.0477,7.9
"phosphoenolpyruvic_acid","bmse000107",1,152.4983,4.37
"phosphoenolpyruvic_acid","bmse000107",2,152.4267,2.42
"phosphoenolpyruvic_acid","bmse000107",3,102.8677,10.91
"phosphoenolpyruvic_acid","bmse000107",4,102.8401,12.5
"prephenic_acid","bmse000108",1,134.012,12.19
"prephenic_acid","bmse000108",2,130.3553,12.5
"prephenic_acid","bmse000108",3,64.0727,7.77
"prephenic_acid","bmse000108",4,51.2462,2.5
"prephenic_acid","bmse000108",5,50.6545,5.86
"putrescine","bmse000109",1,41.551,11.73
"putrescine","bmse000109",2,26.5984,12.5
"pyridoxal","bmse000110",1,161.5671,1.78
"pyridoxal","bmse000110",2,148.0785,2.3
"pyridoxal","bmse000110",3,140.9568,3.28
"pyridoxal","bmse000110",4,139.5279,4.52
"pyridoxal","bmse000110",5,120.0727,6.07
"pyridoxal","bmse000110",6,102.0212,10.48
"pyridoxal","bmse000110",7,72.5072,12.5
"pyridoxal","bmse000110",8,17.5108,7.09
"pyridoxal_5_phosphate","bmse000111",1,198.7901,4.06
"pyridoxal_5_phosphate","bmse000111",2,154.2739,7.56
"pyridoxal_5_phosphate","bmse000111",3,139.0553,2.73
"pyridoxal_5_phosphate","bmse000111",4,138.9802,2.7
"pyridoxal_5_phosphate","bmse000111",5,128.8539,3.48
"pyridoxal_5_phosphate","bmse000111",6,126.7748,3.24
"pyridoxal_5_phosphate","bmse000111",7,91.4524,2.95
"pyridoxal_5_phosphate","bmse000111",8,64.4322,9.86
"pyridoxal_5_phosphate","bmse000111",9,64.3954,7.79
"pyridoxal_5_phosphate","bmse000111",10,18.7125,12.5
"pyridoxal_5_phosphate","bmse000111",11,17.3618,2.26
"pyridoxamine","bmse000130",1,165.5851,1.63
"pyridoxamine","bmse000130",2,148.1236,2.38
"pyridoxamine","bmse000130",3,138.2661,5.06
"pyridoxamine","bmse000130",4,134.7636,2.63
"pyridoxamine","bmse000130",5,126.6506,8.52
"pyridoxamine","bmse000130",6,61.8257,9.73
"pyridoxamine","bmse000130",7,39.2287,12.5
"pyridoxamine","bmse000130",8,18.1093,10.27
"pyridoxamine_5_phosphate","bmse000131",1,165.6996,3.42
"pyridoxamine_5_phosphate","bmse000131",2,147.3396,4.49
"pyridoxamine_5_phosphate","bmse000131",3,137.5932,4.37
"pyridoxamine_5_phosphate","bmse000131",4,137.5201,3.66
"pyridoxamine_5_phosphate","bmse000131",5,135.8735,6.9
"pyridoxamine_5_phosphate","bmse000131",6,125.9833,8.38
"pyridoxamine_5_phosphate","bmse000131",7,64.3374,8.14
"pyridoxamine_5_phosphate","bmse000131",8,64.2962,7.45
"pyridoxamine_5_phosphate","bmse000131",9,38.955,12.5
"pyridoxamine_5_phosphate","bmse000131",10,17.7372,11.91
"scyllo_inositol","bmse000113",1,76.2821,12.5
"shikimic_acid","bmse000114",1,178.0757,1.84
"shikimic_acid","bmse000114",2,138.7121,3.69
"shikimic_acid","bmse000114",3,133.2065,8.63
"shikimic_acid","bmse000114",4,74.7462,8.91
"shikimic_acid","bmse000114",5,69.5201,11.73
"shikimic_acid","bmse000114",6,68.9871,12.5
"shikimic_acid","bmse000114",7,35.3685,8.86
"D_sorbitol","bmse000115",1,75.6364,11.8
"D_sorbitol","bmse000115",2,73.7844,11.91
"D_sorbitol","bmse000115",3,73.6628,11.46
"D_sorbitol","bmse000115",4,72.3478,12.5
"D_sorbitol","bmse000115",5,65.5074,7.86
"D_sorbitol","bmse000115",6,65.1126,9.65
"spermidine","bmse000116",1,49.7685,12.5
"spermidine","bmse000116",2,47.255,9.6
"spermidine","bmse000116",3,41.5152,10.94
"spermidine","bmse000116",4,39.2998,10.61
"spermidine","bmse000116",5,26.64,10.09
"spermidine","bmse000116",6,26.5227,9.51
"spermidine","bmse000116",7,25.4882,11.59
"spermine","bmse000117",1,50.4642,10.16
"spermine","bmse000117",2,48.3361,12.5
"spermine","bmse000117",3,40.6981,12.1
"spermine","bmse000117",4,30.823,7.1
"spermine","bmse000117",5,27.6835,10.97
"succinic_acid","bmse000118",1,185.1648,1.78
"succinic_acid","bmse000118",2,36.8897,12.5
"sucrose","bmse000119",1,106.3887,6.15
"sucrose","bmse000119",2,94.8829,11.39
"sucrose","bmse000119",3,84.0666,11.94
"sucrose","bmse000119",4,79.0967,11.54
"sucrose","bmse000119",5,76.6892,12.13
"sucrose","bmse000119",6,75.2562,11.56
"sucrose","bmse000119",7,75.107,12.4
"sucrose","bmse000119",8,73.7694,11.94
"sucrose","bmse000119",9,71.9114,12.5
"sucrose","bmse000119",10,65.0741,11.11
"sucrose","bmse000119",11,64.0305,10.38
"sucrose","bmse000119",12,62.8059,9.96
"S_adenosyl_L_methionine","bmse000059",1,177.2049,1.06
"S_adenosyl_L_methionine","bmse000059",2,175.5374,3.57
"S_adenosyl_L_methionine","bmse000059",3,158.2573,4.07
"S_adenosyl_L_methionine","bmse000059",4,158.1473,1.23
"S_adenosyl_L_methionine","bmse000059",5,155.5574,8.68
"S_adenosyl_L_methionine","bmse000059",6,155.4871,3.71
"S_adenosyl_L_methionine","bmse000059",7,154.9459,1.28
"S_adenosyl_L_methionine","bmse000059",8,151.4918,1.4
"S_adenosyl_L_methionine","bmse000059",9,151.3094,4.84
"S_adenosyl_L_methionine","bmse000059",10,143.3489,7.53
"S_adenosyl_L_methionine","bmse000059",11,142.6447,2.96
"S_adenosyl_L_methionine","bmse000059",12,121.7408,3.05
"S_adenosyl_L_methionine","bmse000059",13,91.8,12.5
"S_adenosyl_L_methionine","bmse000059",14,90.1262,1.08
"S_adenosyl_L_methionine","bmse000059",15,90.0407,3.67
"S_adenosyl_L_methionine","bmse000059",16,85.9474,3.7
"S_adenosyl_L_methionine","bmse000059",17,81.4782,2.83
"S_adenosyl_L_methionine","bmse000059",18,80.8642,9.06
"S_adenosyl_L_methionine","bmse000059",19,76.1774,4.19
"S_adenosyl_L_methionine","bmse000059",20,75.6933,3.46
"S_adenosyl_L_methionine","bmse000059",21,75.4417,10.55
"S_adenosyl_L_methionine","bmse000059",22,75.2896,11.21
"S_adenosyl_L_methionine","bmse000059",23,75.2102,3.9
"S_adenosyl_L_methionine","bmse000059",24,75.0576,4.66
"S_adenosyl_L_methionine","bmse000059",25,61.3914,4.52
"S_adenosyl_L_methionine","bmse000059",26,60.181,3.6
"S_adenosyl_L_methionine","bmse000059",27,56.1328,4.11
"S_adenosyl_L_methionine","bmse000059",28,55.5398,11.64
"S_adenosyl_L_methionine","bmse000059",29,55.4732,3.85
"S_adenosyl_L_methionine","bmse000059",30,51.6245,1.02
"S_adenosyl_L_methionine","bmse000059",31,47.0027,7.3
"S_adenosyl_L_methionine","bmse000059",32,41.6503,2.53
"S_adenosyl_L_methionine","bmse000059",33,41.5608,8
"S_adenosyl_L_methionine","bmse000059",34,39.296,1.04
"S_adenosyl_L_methionine","bmse000059",35,38.5747,3.27
"S_adenosyl_L_methionine","bmse000059",36,34.9032,4.07
"S_adenosyl_L_methionine","bmse000059",37,28.138,8.12
"S_adenosyl_L_methionine","bmse000059",38,27.9802,2.58
"S_adenosyl_L_methionine","bmse000059",39,26.5384,1.05
"S_adenosyl_L_methionine","bmse000059",40,26.4688,3.89
"S_adenosyl_L_methionine","bmse000059",41,26.1398,11.37
"S_adenosyl_L_methionine","bmse000059",42,19.5416,3.82
"S_adenosyl_L_methionine","bmse000059",43,18.0425,2.93
"taurine","bmse000120",1,50.2124,12.5
"taurine","bmse000120",2,38.0682,11.7
"L_threitol","bmse000121",1,74.3047,12.5
"L_threitol","bmse000121",2,65.3263,12.42
"trans_4_hydroxy_L_proline","bmse000123",1,177.0263,1.29
"trans_4_hydroxy_L_proline","bmse000123",2,72.7686,12.34
"trans_4_hydroxy_L_proline","bmse000123",3,62.5265,8.41
"trans_4_hydroxy_L_proline","bmse000123",4,55.643,12.5
"trans_4_hydroxy_L_proline","bmse000123",5,40.1298,9.82
"trans_cinnamic_acid","bmse000124",1,143.5556,4.31
"trans_cinnamic_acid","bmse000124",2,137.8775,1.34
"trans_cinnamic_acid","bmse000124",3,132.3324,6.15
"trans_cinnamic_acid","bmse000124",4,131.6902,9.94
"trans_cinnamic_acid","bmse000124",5,130.4135,12.5
"trans_cinnamic_acid","bmse000124",6,126.8267,3.92
"D_trehalose","bmse000125",1,95.9171,12.5
"D_trehalose","bmse000125",2,75.2081,11.88
"D_trehalose","bmse000125",3,74.8491,10.1
"D_trehalose","bmse000125",4,73.7422,9.97
"D_trehalose","bmse000125",5,72.3894,11.58
"D_trehalose","bmse000125",6,63.2132,8.55
"uric_acid","bmse000126",1,167.6653,6.04
"uric_acid","bmse000126",2,165.3393,12.5
"uric_acid","bmse000126",3,162.2146,6.72
"uric_acid","bmse000126",4,156.4958,8.87
"uric_acid","bmse000126",5,104.5779,6.55
"xanthine","bmse000127",1,163.3303,1.9
"xanthine","bmse000127",2,161.9958,1.23
"xanthine","bmse000127",3,158.0123,1.54
"xanthine","bmse000127",4,142.7225,12.5
"xanthine","bmse000127",5,116.2503,1.15
"xanthosine","bmse000128",1,163.7475,1.41
"xanthosine","bmse000128",2,162.2764,1.3
"xanthosine","bmse000128",3,155.8547,2.56
"xanthosine","bmse000128",4,140.0607,9.27
"xanthosine","bmse000128",5,118.2068,1.28
"xanthosine","bmse000128",6,90.6608,11.73
"xanthosine","bmse000128",7,88.5324,12.41
"xanthosine","bmse000128",8,75.9737,12.5
"xanthosine","bmse000128",9,73.5577,11.03
"xanthosine","bmse000128",10,64.3556,8.81
"xylitol","bmse000129",1,74.6275,11.33
"xylitol","bmse000129",2,73.4743,6.7
"xylitol","bmse000129",3,65.3143,12.5
"tyramine","bmse000243",1,157.2984,1.41
"tyramine","bmse000243",2,132.9956,12.5
"tyramine","bmse000243",3,131.1649,2.03
"tyramine","bmse000243",4,118.5125,12.18
"tyramine","bmse000243",5,43.4518,5.34
"tyramine","bmse000243",6,34.6329,6.06
"L_carnosine","bmse000246",1,180.2008,3.84
"L_carnosine","bmse000246",2,174.3323,4.86
"L_carnosine","bmse000246",3,137.5197,9.53
"L_carnosine","bmse000246",4,134.6631,4.69
"L_carnosine","bmse000246",5,119.8491,10.48
"L_carnosine","bmse000246",6,57.5784,11.65
"L_carnosine","bmse000246",7,38.3703,11.44
"L_carnosine","bmse000246",8,34.7671,12.5
"L_carnosine","bmse000246",9,30.9947,9.98
"glycolate","bmse000245",1,182.6562,5.25
"glycolate","bmse000245",2,63.9098,12.5
"1_3_dimethylurea","bmse000248",1,29.1399,12.5
"D_glucosamine","bmse000247",1,96.7337,8.51
"D_glucosamine","bmse000247",2,92.4167,12.41
"D_glucosamine","bmse000247",3,78.843,9.89
"D_glucosamine","bmse000247",4,75.8685,8.3
"D_glucosamine","bmse000247",5,74.3489,12.5
"D_glucosamine","bmse000247",6,72.9419,11.22
"D_glucosamine","bmse000247",7,72.4037,9.8
"D_glucosamine","bmse000247",8,72.3301,12.04
"D_glucosamine","bmse000247",9,63.2894,7.62
"D_glucosamine","bmse000247",10,63.0782,11.08
"D_glucosamine","bmse000247",11,59.6847,8.44
"D_glucosamine","bmse000247",12,57.1428,11.73
"isethionic_acid","bmse000242",1,59.6397,12.02
"isethionic_acid","bmse000242",2,55.5295,12.5
"N_N_dimethylglycine","bmse000241",1,62.5717,6.55
"N_N_dimethylglycine","bmse000241",2,46.2286,12.5
"dihydroxyacetone","bmse000144",1,214.7833,3.78
"dihydroxyacetone","bmse000144",2,97.773,1.6
"dihydroxyacetone","bmse000144",3,66.2429,12.5
"N_acetyl_L_glutamine","bmse000145",1,181.3622,2.37
"N_acetyl_L_glutamine","bmse000145",2,181.1277,3.44
"N_acetyl_L_glutamine","bmse000145",3,176.3862,3.32
"N_acetyl_L_glutamine","bmse000145",4,57.3658,12.5
"N_acetyl_L_glutamine","bmse000145",5,34.4405,9.75
"N_acetyl_L_glutamine","bmse000145",6,30.4549,10.18
"N_acetyl_L_glutamine","bmse000145",7,24.6247,9.17
"ADA","bmse000146",1,180.0279,1.66
"ADA","bmse000146",2,60.0622,12.5
"ADA","bmse000146",3,59.955,1.44
"4_aminoantipyrine","bmse000147",1,144.7673,1.72
"4_aminoantipyrine","bmse000147",2,135.763,1.74
"4_aminoantipyrine","bmse000147",3,132.3952,12.5
"4_aminoantipyrine","bmse000147",4,131.8174,5.85
"4_aminoantipyrine","bmse000147",5,129.3212,12.35
"4_aminoantipyrine","bmse000147",6,37.2322,4.81
"4_aminoantipyrine","bmse000147",7,11.7408,4.42
"acetylcarnitine","bmse000142",1,179.354,4.03
"acetylcarnitine","bmse000142",2,175.4615,4.06
"acetylcarnitine","bmse000142",3,70.835,4.53
"acetylcarnitine","bmse000142",4,69.5734,12.5
"acetylcarnitine","bmse000142",5,56.5103,12.2
"acetylcarnitine","bmse000142",6,42.9071,9.73
"acetylcarnitine","bmse000142",7,23.3168,9.11
"5_acetylamido_2_chloroaniline","bmse000143",1,139.2064,3.06
"5_acetylamido_2_chloroaniline","bmse000143",2,132.3826,12.5
"5_acetylamido_2_chloroaniline","bmse000143",3,116.2078,11.5
"5_acetylamido_2_chloroaniline","bmse000143",4,112.9825,11.85
"5_acetylamido_2_chloroaniline","bmse000143",5,25.522,8.76
"uracil","bmse000187",1,170.2202,1.35
"uracil","bmse000187",2,146.2032,10.52
"uracil","bmse000187",3,103.7407,12.5
"cytidine","bmse000190",1,168.8862,2.92
"cytidine","bmse000190",2,160.3399,2.39
"cytidine","bmse000190",3,144.3268,8.93
"cytidine","bmse000190",4,98.9421,9.02
"cytidine","bmse000190",5,92.9764,11.59
"cytidine","bmse000190",6,86.4726,11.93
"cytidine","bmse000190",7,76.6665,12.26
"cytidine","bmse000190",8,71.9801,12.5
"cytidine","bmse000190",9,63.4255,9.89
"propionic_acid","bmse000179",1,187.7472,2.27
"propionic_acid","bmse000179",2,33.4143,12.5
"propionic_acid","bmse000179",3,12.8911,11.53
"cytosine","bmse000180",1,170.1095,1.09
"cytosine","bmse000180",2,145.8461,10.28
"cytosine","bmse000180",3,97.8181,12.5
"3_hydroxybutyrate","bmse000161",1,183.1934,2.18
"3_hydroxybutyrate","bmse000161",2,68.3994,9.53
"3_hydroxybutyrate","bmse000161",3,49.2195,12.5
"3_hydroxybutyrate","bmse000161",4,24.4317,11.28
"sarcosine","bmse000160",1,174.1787,1.69
"sarcosine","bmse000160",2,53.5151,12.5
"sarcosine","bmse000160",3,35.3495,10.56
"beta_alanine","bmse000159",1,181.1398,1.61
"beta_alanine","bmse000159",2,39.2339,9.51
"beta_alanine","bmse000159",3,36.2855,12.5
"uridine","bmse000158",1,169.0394,2.54
"uridine","bmse000158",2,154.4569,2.08
"uridine","bmse000158",3,144.529,8.58
"uridine","bmse000158",4,104.9743,9.81
"uridine","bmse000158",5,92.0363,11.1
"uridine","bmse000158",6,86.9005,11.88
"uridine","bmse000158",7,76.3651,11.81
"uridine","bmse000158",8,72.0985,12.5
"uridine","bmse000158",9,63.4211,9.74
"N_acetyl_L_alanine","bmse000157",1,183.142,2.18
"N_acetyl_L_alanine","bmse000157",2,176.0277,2.41
"N_acetyl_L_alanine","bmse000157",3,53.6895,12.5
"N_acetyl_L_alanine","bmse000157",4,24.5618,8.98
"N_acetyl_L_alanine","bmse000157",5,20.0042,11.11
"trimethyl_phosphonoacetate","bmse000156",1,56.6257,8.02
"trimethyl_phosphonoacetate","bmse000156",2,56.5607,8.02
"trimethyl_phosphonoacetate","bmse000156",3,55.9903,12.5
"creatinine","bmse000155",1,191.713,2.26
"creatinine","bmse000155",2,59.1239,12.5
"creatinine","bmse000155",3,58.8527,2.53
"creatinine","bmse000155",4,58.6295,1.96
"creatinine","bmse000155",5,32.9001,9.73
"4_2_aminoethyl_morpholine","bmse000154",1,68.8872,12.21
"4_2_aminoethyl_morpholine","bmse000154",2,56.9694,6.45
"4_2_aminoethyl_morpholine","bmse000154",3,55.1945,12.5
"4_2_aminoethyl_morpholine","bmse000154",4,38.3707,5.31
"L_methionine_methylsulfonium_iodide","bmse000153",1,176.1278,2.46
"L_methionine_methylsulfonium_iodide","bmse000153",2,55.6328,12.37
"L_methionine_methylsulfonium_iodide","bmse000153",3,42.2714,10.53
"L_methionine_methylsulfonium_iodide","bmse000153",4,28.1127,10.06
"L_methionine_methylsulfonium_iodide","bmse000153",5,27.4753,11.87
"L_methionine_methylsulfonium_iodide","bmse000153",6,27.4428,12.5
"trigonelline","bmse000152",1,170.5429,1.63
"trigonelline","bmse000152",2,148.7294,3.53
"trigonelline","bmse000152",3,148.5432,3.12
"trigonelline","bmse000152",4,147.4509,9.81
"trigonelline","bmse000152",5,139.591,3.58
"trigonelline","bmse000152",6,130.3808,12.5
"trigonelline","bmse000152",7,50.9868,3.8
"L_kynurenine","bmse000172",1,202.7838,4.18
"L_kynurenine","bmse000172",2,176.9655,3.82
"L_kynurenine","bmse000172",3,153.0281,3.8
"L_kynurenine","bmse000172",4,138.3201,10.63
"L_kynurenine","bmse000172",5,134.0077,10.47
"L_kynurenine","bmse000172",6,120.7487,12.5
"L_kynurenine","bmse000172",7,120.1347,3.19
"L_kynurenine","bmse000172",8,119.5469,11.71
"L_kynurenine","bmse000172",9,53.4373,9.6
"L_kynurenine","bmse000172",10,53.3893,1.75
"L_kynurenine","bmse000172",11,41.6724,9.4
"4_hydroxyphenethyl_alcohol","bmse000173",1,156.5231,1.3
"4_hydroxyphenethyl_alcohol","bmse000173",2,133.6531,2.03
"4_hydroxyphenethyl_alcohol","bmse000173",3,133.0108,12.05
"4_hydroxyphenethyl_alcohol","bmse000173",4,118.0973,12.5
"4_hydroxyphenethyl_alcohol","bmse000173",5,65.4628,5.4
"4_hydroxyphenethyl_alcohol","bmse000173",6,39.6054,5.27
"L_glutathione_oxidized","bmse000170",1,179.0431,5.08
"L_glutathione_oxidized","bmse000170",2,177.7295,7.27
"L_glutathione_oxidized","bmse000170",3,176.8436,5.71
"L_glutathione_oxidized","bmse000170",4,174.576,7.14
"L_glutathione_oxidized","bmse000170",5,56.7983,12.5
"L_glutathione_oxidized","bmse000170",6,55.2962,6.93
"L_glutathione_oxidized","bmse000170",7,46.1769,10
"L_glutathione_oxidized","bmse000170",8,41.3939,5.3
"L_glutathione_oxidized","bmse000170",9,34.0976,8.71
"L_glutathione_oxidized","bmse000170",10,28.9834,9.22
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",1,137.9087,2.24
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",2,137.8673,2.37
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",3,131.376,12.5
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",4,131.3613,12.49
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",5,130.699,5.71
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",6,130.6797,5.71
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",7,130.3647,10.88
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",8,130.3201,11.19
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",9,58.3213,5.52
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",10,57.0571,5.41
"2_amino_5_ethyl_1_3_4_thiadiazole","bmse000176",1,168.4472,1.23
"2_amino_5_ethyl_1_3_4_thiadiazole","bmse000176",2,25.8692,12.5
"2_amino_5_ethyl_1_3_4_thiadiazole","bmse000176",3,15.8228,11.49
"indole_3_acetic_acid","bmse000177",1,184.4014,2.14
"indole_3_acetic_acid","bmse000177",2,138.8639,1.78
"indole_3_acetic_acid","bmse000177",3,129.8341,1.84
"indole_3_acetic_acid","bmse000177",4,126.7302,9.37
"indole_3_acetic_acid","bmse000177",5,124.4124,12.5
"indole_3_acetic_acid","bmse000177",6,121.7961,11.6
"indole_3_acetic_acid","bmse000177",7,121.3961,11.96
"indole_3_acetic_acid","bmse000177",8,114.4077,11.75
"indole_3_acetic_acid","bmse000177",9,113.0393,2.26
"indole_3_acetic_acid","bmse000177",10,36.6627,11.8
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",1,177.1121,2.86
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",2,175.8429,2.97
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",3,146.1205,4.91
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",4,142.1751,2.25
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",5,140.3992,5.19
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",6,135.1671,1.17
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",7,128.5755,12.5
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",8,122.2003,7.85
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",9,120.5307,8.5
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",10,26.0734,7.9
"inosine_5_monophosphate","bmse000175",1,161.425,3.75
"inosine_5_monophosphate","bmse000175",2,151.4802,4.81
"inosine_5_monophosphate","bmse000175",3,149.0993,9.26
"inosine_5_monophosphate","bmse000175",4,142.6513,8.28
"inosine_5_monophosphate","bmse000175",5,126.224,3.55
"inosine_5_monophosphate","bmse000175",6,90.0513,11.57
"inosine_5_monophosphate","bmse000175",7,87.5897,6.17
"inosine_5_monophosphate","bmse000175",8,87.5029,6.25
"inosine_5_monophosphate","bmse000175",9,77.4723,12.43
"inosine_5_monophosphate","bmse000175",10,73.3415,12.5
"inosine_5_monophosphate","bmse000175",11,66.1817,4.69
"inosine_5_monophosphate","bmse000175",12,66.1371,4.9
"acetylcholine","bmse000168",1,175.9351,1.7
"acetylcholine","bmse000168",2,67.2352,3.17
"acetylcholine","bmse000168",3,67.2022,3.69
"acetylcholine","bmse000168",4,67.1693,3.21
"acetylcholine","bmse000168",5,61.0489,9.91
"acetylcholine","bmse000168",6,56.5037,10.75
"acetylcholine","bmse000168",7,56.4653,12.5
"acetylcholine","bmse000168",8,56.4269,11.09
"acetylcholine","bmse000168",9,22.907,5.01
"L_selenomethionine","bmse000169",1,177.0007,2.6
"L_selenomethionine","bmse000169",2,57.4374,11.47
"L_selenomethionine","bmse000169",3,33.6291,11.68
"L_selenomethionine","bmse000169",4,21.9577,12.5
"L_selenomethionine","bmse000169",5,5.9908,6.84
"L_carnitine","bmse000211",1,180.7932,2.55
"L_carnitine","bmse000211",2,72.8484,3.55
"L_carnitine","bmse000211",3,72.8194,4.35
"L_carnitine","bmse000211",4,72.7905,3.77
"L_carnitine","bmse000211",5,66.787,9.83
"L_carnitine","bmse000211",6,56.8352,10.16
"L_carnitine","bmse000211",7,56.7971,12.5
"L_carnitine","bmse000211",8,56.7587,10.72
"L_carnitine","bmse000211",9,45.6836,6.68
"2_deoxyguanosine_5_triphosphate","bmse000210",1,161.5994,4.1
"2_deoxyguanosine_5_triphosphate","bmse000210",2,156.5483,6.62
"2_deoxyguanosine_5_triphosphate","bmse000210",3,153.9201,3.76
"2_deoxyguanosine_5_triphosphate","bmse000210",4,140.177,4.97
"2_deoxyguanosine_5_triphosphate","bmse000210",5,118.7094,3.56
"2_deoxyguanosine_5_triphosphate","bmse000210",6,88.3356,4.95
"2_deoxyguanosine_5_triphosphate","bmse000210",7,88.2497,5.03
"2_deoxyguanosine_5_triphosphate","bmse000210",8,86.1217,10.42
"2_deoxyguanosine_5_triphosphate","bmse000210",9,85.9663,1.24
"2_deoxyguanosine_5_triphosphate","bmse000210",10,73.5912,12.5
"2_deoxyguanosine_5_triphosphate","bmse000210",11,73.4257,1.36
"2_deoxyguanosine_5_triphosphate","bmse000210",12,68.0836,4.3
"2_deoxyguanosine_5_triphosphate","bmse000210",13,68.0298,4.01
"2_deoxyguanosine_5_triphosphate","bmse000210",14,60.1564,2.92
"2_deoxyguanosine_5_triphosphate","bmse000210",15,41.4696,9.7
"2_deoxyguanosine_5_triphosphate","bmse000210",16,19.5226,3.19
"L_glutathione_reduced","bmse000185",1,179.0844,3.34
"L_glutathione_reduced","bmse000185",2,177.7381,6.24
"L_glutathione_reduced","bmse000185",3,176.8762,4.09
"L_glutathione_reduced","bmse000185",4,174.517,4.49
"L_glutathione_reduced","bmse000185",5,58.485,9.28
"L_glutathione_reduced","bmse000185",6,56.8252,12.5
"L_glutathione_reduced","bmse000185",7,46.0594,11.98
"L_glutathione_reduced","bmse000185",8,34.0617,10.25
"L_glutathione_reduced","bmse000185",9,28.9279,10.05
"L_glutathione_reduced","bmse000185",10,28.2991,8.79
"L-ascorbate","bmse000182",1,180.3168,1.43
"L-ascorbate","bmse000182",2,178.4832,2.74
"L-ascorbate","bmse000182",3,115.802,1.21
"L-ascorbate","bmse000182",4,81.1004,12.5
"L-ascorbate","bmse000182",5,72.2534,11.82
"L-ascorbate","bmse000182",6,65.2522,10.99
"glycerol","bmse000184",1,74.7687,5.34
"glycerol","bmse000184",2,65.1855,12.5
"succinic_acid","bmse000183",1,185.1723,12.5
"diethyl_oxalacetate","bmse000148",1,175.4103,2.81
"diethyl_oxalacetate","bmse000148",2,174.3091,2.64
"diethyl_oxalacetate","bmse000148",3,173.4326,3.11
"diethyl_oxalacetate","bmse000148",4,168.1048,3.57
"diethyl_oxalacetate","bmse000148",5,163.0751,2.84
"diethyl_oxalacetate","bmse000148",6,107.9727,2.93
"diethyl_oxalacetate","bmse000148",7,66.4032,12.5
"diethyl_oxalacetate","bmse000148",8,64.8073,11.65
"diethyl_oxalacetate","bmse000148",9,63.2252,12.35
"diethyl_oxalacetate","bmse000148",10,60.1425,6.53
"diethyl_oxalacetate","bmse000148",11,19.5054,7.69
"diethyl_oxalacetate","bmse000148",12,16.4349,10.31
"diethyl_oxalacetate","bmse000148",13,16.0264,10.85
"diethyl_oxalacetate","bmse000148",14,15.8307,11.05
"diethyl_oxalacetate","bmse000148",15,8.3719,1.46
"methyl_4_aminobutyrate","bmse000249",1,178.332,2.3
"methyl_4_aminobutyrate","bmse000249",2,55.0318,9.91
"methyl_4_aminobutyrate","bmse000249",3,41.3931,9.31
"methyl_4_aminobutyrate","bmse000249",4,33.2371,12.5
"methyl_4_aminobutyrate","bmse000249",5,24.7364,10.01
"acetic_acid","bmse000191",1,25.9921,12.5
"DL_alpha_glycerol_phosphate","bmse000193",1,74.017,6.6
"DL_alpha_glycerol_phosphate","bmse000193",2,73.9509,6.61
"DL_alpha_glycerol_phosphate","bmse000193",3,67.5764,6.42
"DL_alpha_glycerol_phosphate","bmse000193",4,67.5279,6.33
"DL_alpha_glycerol_phosphate","bmse000193",5,64.9909,12.5
"L_arginine_L_glutamate","bmse000194",1,184.0271,2.62
"L_arginine_L_glutamate","bmse000194",2,177.3004,2.69
"L_arginine_L_glutamate","bmse000194",3,177.2486,3.51
"L_arginine_L_glutamate","bmse000194",4,159.5217,1.58
"L_arginine_L_glutamate","bmse000194",5,57.3276,11.34
"L_arginine_L_glutamate","bmse000194",6,56.9877,12.33
"L_arginine_L_glutamate","bmse000194",7,43.187,10.69
"L_arginine_L_glutamate","bmse000194",8,36.1773,12.5
"L_arginine_L_glutamate","bmse000194",9,30.2821,11.31
"L_arginine_L_glutamate","bmse000194",10,29.6813,11.66
"L_arginine_L_glutamate","bmse000194",11,26.565,9.36
"N_alpha_acetyl_DL_ornithine","bmse000195",1,181.278,2.84
"N_alpha_acetyl_DL_ornithine","bmse000195",2,176.3942,3.3
"N_alpha_acetyl_DL_ornithine","bmse000195",3,57.2647,12.5
"N_alpha_acetyl_DL_ornithine","bmse000195",4,41.7026,11.36
"N_alpha_acetyl_DL_ornithine","bmse000195",5,31.2562,11.58
"N_alpha_acetyl_DL_ornithine","bmse000195",6,26.1175,10.85
"N_alpha_acetyl_DL_ornithine","bmse000195",7,24.6039,9.43
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",1,177.1802,4.22
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",2,100.7816,12.14
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",3,74.3693,12.5
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",4,73.8173,11.87
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",5,72.6604,11.86
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",6,63.2442,9.78
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",7,57.84,10.7
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",8,56.3295,11.36
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",9,24.5939,9.03
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",1,177.4262,6.89
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",2,95.5064,6.59
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",3,95.4519,6.61
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",4,74.8112,12.48
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",5,74.1248,11.53
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",6,72.717,12.5
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",7,63.3991,10.48
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",8,60.1385,1.19
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",9,56.8941,6.31
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",10,56.82,5.92
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",11,24.8547,11.82
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",12,19.5064,1.35
"6_phosphogluconic_acid","bmse000198",1,181.6058,3.57
"6_phosphogluconic_acid","bmse000198",2,76.871,10.24
"6_phosphogluconic_acid","bmse000198",3,74.5728,12.34
"6_phosphogluconic_acid","bmse000198",4,73.5923,12.5
"6_phosphogluconic_acid","bmse000198",5,73.3427,6.13
"6_phosphogluconic_acid","bmse000198",6,73.2817,6
"6_phosphogluconic_acid","bmse000198",7,67.8378,5.3
"6_phosphogluconic_acid","bmse000198",8,67.7897,5.02
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",1,177.4856,7.09
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",2,169.018,6.26
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",3,154.5678,4.71
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",4,144.3458,8.41
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",5,105.3664,9.76
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",6,97.2217,5.52
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",7,97.1586,5.3
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",8,91.2324,10.4
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",9,85.9265,5.45
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",10,85.8356,5.37
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",11,76.5038,12.5
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",12,75.7265,10.47
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",13,73.618,9.4
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",14,72.3363,12.03
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",15,72.1894,10.68
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",16,67.7104,4.06
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",17,67.6547,4.21
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",18,63.011,8.29
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",19,56.4123,4.85
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",20,56.3279,4.86
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",21,24.8017,11.06
"D_glucosamine_6_phosphate","bmse000189",1,96.7641,3.96
"D_glucosamine_6_phosphate","bmse000189",2,92.5468,9.11
"D_glucosamine_6_phosphate","bmse000189",3,78.573,7.72
"D_glucosamine_6_phosphate","bmse000189",4,78.5029,8.09
"D_glucosamine_6_phosphate","bmse000189",5,75.3,3.82
"D_glucosamine_6_phosphate","bmse000189",6,74.241,8.9
"D_glucosamine_6_phosphate","bmse000189",7,74.1735,8.79
"D_glucosamine_6_phosphate","bmse000189",8,72.61,7.6
"D_glucosamine_6_phosphate","bmse000189",9,72.216,8.01
"D_glucosamine_6_phosphate","bmse000189",10,72.0861,11.81
"D_glucosamine_6_phosphate","bmse000189",11,65.6945,5.67
"D_glucosamine_6_phosphate","bmse000189",12,65.5318,8.2
"D_glucosamine_6_phosphate","bmse000189",13,59.9922,8.37
"D_glucosamine_6_phosphate","bmse000189",14,57.442,12.5
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",1,177.6459,3.99
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",2,177.3558,6.21
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",3,97.9785,9.64
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",4,93.8355,12.5
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",5,78.3788,4.55
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",6,78.3082,5
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",7,76.3335,8.77
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",8,74.1312,5.77
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",9,74.0636,5.71
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",10,73.273,9.62
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",11,72.5985,6.43
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",12,72.4066,4.3
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",13,65.8183,6.34
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",14,59.7314,6.92
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",15,57.09,11.32
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",16,25.09,7.17
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",17,24.8284,8.82
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",18,24.6366,2.13
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",19,8.3826,2.3
"formate","bmse000203",1,173.8915,12.5
"HEPES","bmse000202",1,60.8048,5.44
"HEPES","bmse000202",2,58.5772,7.51
"HEPES","bmse000202",3,54.5149,8.11
"HEPES","bmse000202",4,54.0844,12.5
"HEPES","bmse000202",5,52.383,11.07
"HEPES","bmse000202",6,50.0053,7.83
"D_citrulline","bmse000209",1,177.3935,5.6
"D_citrulline","bmse000209",2,164.2858,1.35
"D_citrulline","bmse000209",3,57.1942,10.87
"D_citrulline","bmse000209",4,41.9172,1.9
"D_citrulline","bmse000209",5,30.442,12.5
"D_citrulline","bmse000209",6,27.6603,6.22
"tryptamine","bmse000207",1,139.1467,1.96
"tryptamine","bmse000207",2,129.1548,2.05
"tryptamine","bmse000207",3,127.0515,9.42
"tryptamine","bmse000207",4,124.8771,12.23
"tryptamine","bmse000207",5,122.1292,11.7
"tryptamine","bmse000207",6,121.0332,11.62
"tryptamine","bmse000207",7,114.7782,11.66
"tryptamine","bmse000207",8,111.7871,2.5
"tryptamine","bmse000207",9,42.4461,10.28
"tryptamine","bmse000207",10,25.3872,12.5
"caffeine","bmse000206",1,158.3677,2.3
"caffeine","bmse000206",2,154.8444,2.1
"caffeine","bmse000206",3,150.6943,2.53
"caffeine","bmse000206",4,146.1726,12.5
"caffeine","bmse000206",5,109.992,1.93
"caffeine","bmse000206",6,36.1671,12
"caffeine","bmse000206",7,32.5176,11.72
"caffeine","bmse000206",8,30.6092,12.15
"DL_serine","bmse000222",1,175.1858,1.49
"DL_serine","bmse000222",2,62.8818,12.5
"DL_serine","bmse000222",3,59.0696,9.18
"kanamycin","bmse000201",1,103.0882,11.25
"kanamycin","bmse000201",2,99.3708,11.19
"kanamycin","bmse000201",3,87.4547,11.03
"kanamycin","bmse000201",4,82.3518,10.12
"kanamycin","bmse000201",5,76.1335,11.05
"kanamycin","bmse000201",6,75.2746,11.27
"kanamycin","bmse000201",7,74.8051,11.96
"kanamycin","bmse000201",8,73.8216,11.92
"kanamycin","bmse000201",9,73.7132,12.5
"kanamycin","bmse000201",10,71.3274,11.8
"kanamycin","bmse000201",11,71.2135,10.89
"kanamycin","bmse000201",12,68.4669,11.25
"kanamycin","bmse000201",13,62.5738,8.79
"kanamycin","bmse000201",14,57.6876,10.31
"kanamycin","bmse000201",15,52.8142,10.87
"kanamycin","bmse000201",16,50.8624,10.67
"kanamycin","bmse000201",17,43.1772,9.79
"kanamycin","bmse000201",18,32.4006,6.43
"D_galacturonic_acid","bmse000216",1,178.7328,1.92
"D_galacturonic_acid","bmse000216",2,177.8683,2.95
"D_galacturonic_acid","bmse000216",3,103.6266,1.14
"D_galacturonic_acid","bmse000216",4,98.6973,11.64
"D_galacturonic_acid","bmse000216",5,94.8821,8.1
"D_galacturonic_acid","bmse000216",6,86.1096,1.16
"D_galacturonic_acid","bmse000216",7,83.8927,1.25
"D_galacturonic_acid","bmse000216",8,78.2191,12.5
"D_galacturonic_acid","bmse000216",9,75.5921,12.15
"D_galacturonic_acid","bmse000216",10,74.2733,11.54
"D_galacturonic_acid","bmse000216",11,74.0687,8.3
"D_galacturonic_acid","bmse000216",12,73.5175,7.92
"D_galacturonic_acid","bmse000216",13,73.4128,1.2
"D_galacturonic_acid","bmse000216",14,73.0403,11.9
"D_galacturonic_acid","bmse000216",15,72.0425,8.11
"D_galacturonic_acid","bmse000216",16,70.7295,8.19
"melibiose","bmse000215",1,100.9074,4.94
"melibiose","bmse000215",2,100.8624,8.18
"melibiose","bmse000215",3,98.7735,7.77
"melibiose","bmse000215",4,94.8936,4.8
"melibiose","bmse000215",5,78.5818,7.92
"melibiose","bmse000215",6,77.0481,7.86
"melibiose","bmse000215",7,76.7432,7.91
"melibiose","bmse000215",8,75.641,4.51
"melibiose","bmse000215",9,74.115,4.66
"melibiose","bmse000215",10,73.6521,8.63
"melibiose","bmse000215",11,72.7897,4.38
"melibiose","bmse000215",12,72.2675,4.58
"melibiose","bmse000215",13,72.1681,11.13
"melibiose","bmse000215",14,72.1168,8.41
"melibiose","bmse000215",15,71.8969,12.5
"melibiose","bmse000215",16,71.1809,5.01
"melibiose","bmse000215",17,71.1499,8
"melibiose","bmse000215",18,68.5997,3.4
"melibiose","bmse000215",19,68.5048,5.74
"melibiose","bmse000215",20,63.7993,7.48
"raffinose","bmse000221",1,106.4984,12
"raffinose","bmse000221",2,101.1619,11.75
"raffinose","bmse000221",3,94.8107,10.5
"raffinose","bmse000221",4,84.0386,10.37
"raffinose","bmse000221",5,78.9908,10.66
"raffinose","bmse000221",6,76.6708,10.74
"raffinose","bmse000221",7,75.3481,10.62
"raffinose","bmse000221",8,74.0893,10.03
"raffinose","bmse000221",9,73.7298,10.76
"raffinose","bmse000221",10,73.6491,10.76
"raffinose","bmse000221",11,72.1375,11.45
"raffinose","bmse000221",12,72.0811,10.61
"raffinose","bmse000221",13,71.8977,12.5
"raffinose","bmse000221",14,71.1782,10.63
"raffinose","bmse000221",15,68.5609,7.4
"raffinose","bmse000221",16,65.174,9.27
"raffinose","bmse000221",17,64.0591,8.59
"raffinose","bmse000221",18,63.8064,10.78
"phenylacetic_acid","bmse000220",1,140.0132,1.48
"phenylacetic_acid","bmse000220",2,131.8678,12.4
"phenylacetic_acid","bmse000220",3,131.3739,12.5
"phenylacetic_acid","bmse000220",4,129.1624,7.27
"phenylacetic_acid","bmse000220",5,47.1763,7.68
"quinolinic_acid","bmse000219",1,151.0633,4.64
"quinolinic_acid","bmse000219",2,139.9295,12.5
"quinolinic_acid","bmse000219",3,134.2225,1.66
"quinolinic_acid","bmse000219",4,126.3609,1.43
"L_arabinose","bmse000213",1,99.4707,11.84
"L_arabinose","bmse000213",2,95.2773,6.36
"L_arabinose","bmse000213",3,85.6557,1.01
"L_arabinose","bmse000213",4,75.1558,12.46
"L_arabinose","bmse000213",5,74.5445,11.65
"L_arabinose","bmse000213",6,71.3975,5.23
"L_arabinose","bmse000213",7,71.291,6.33
"L_arabinose","bmse000213",8,71.19,12.5
"L_arabinose","bmse000213",9,71.1316,6.46
"L_arabinose","bmse000213",10,69.092,10.76
"L_arabinose","bmse000213",11,65.1629,5.63
"L_arabinose","bmse000213",12,63.7809,1.01
"maleic_acid","bmse000212",1,178.0156,12.5
"maleic_acid","bmse000212",2,138.0455,2.52
"trimethylamine","bmse000224",1,47.3627,12.5
"FAD","bmse000226",1,164.0687,6.03
"FAD","bmse000226",2,160.4644,6.44
"FAD","bmse000226",3,157.4008,5.27
"FAD","bmse000226",4,155.0401,6.79
"FAD","bmse000226",5,153.2024,6.31
"FAD","bmse000226",6,152.7018,4.88
"FAD","bmse000226",7,150.7506,8.42
"FAD","bmse000226",8,141.8033,9.25
"FAD","bmse000226",9,137.3022,7.38
"FAD","bmse000226",10,136.7199,6.9
"FAD","bmse000226",11,134.1126,5.24
"FAD","bmse000226",12,133.1145,6.31
"FAD","bmse000226",13,120.4006,4.97
"FAD","bmse000226",14,119.1392,5.98
"FAD","bmse000226",15,89.8286,8.42
"FAD","bmse000226",16,86.1706,4.9
"FAD","bmse000226",17,77.5902,9.53
"FAD","bmse000226",18,75.1902,7.63
"FAD","bmse000226",19,73.8874,4.74
"FAD","bmse000226",20,72.6742,9.77
"FAD","bmse000226",21,72.0204,7.14
"FAD","bmse000226",22,49.8304,4.6
"FAD","bmse000226",23,23.4503,12.23
"FAD","bmse000226",24,21.3064,12.5
"biotin","bmse000227",1,186.5202,3.08
"biotin","bmse000227",2,168.1155,1.31
"biotin","bmse000227",3,64.7083,11.47
"biotin","bmse000227",4,62.9655,10.94
"biotin","bmse000227",5,58.0656,12.5
"biotin","bmse000227",6,42.4481,10.02
"biotin","bmse000227",7,40.0331,11.31
"biotin","bmse000227",8,30.9897,10.73
"biotin","bmse000227",9,30.4007,10.87
"biotin","bmse000227",10,28.3888,11.03
"L_malic_acid","bmse000238",1,183.7653,2.22
"L_malic_acid","bmse000238",2,182.5621,2.11
"L_malic_acid","bmse000238",3,73.0565,11
"L_malic_acid","bmse000238",4,45.325,12.5
"DL_pipecolic_acid","bmse000237",1,177.3687,2.02
"DL_pipecolic_acid","bmse000237",2,61.7014,10.46
"DL_pipecolic_acid","bmse000237",3,46.3684,11.14
"DL_pipecolic_acid","bmse000237",4,29.2254,12.03
"DL_pipecolic_acid","bmse000237",5,24.5183,12.5
"DL_pipecolic_acid","bmse000237",6,24.2597,11.72
"alpha_naphthoic_acid","bmse000178",1,180.9525,1.22
"alpha_naphthoic_acid","bmse000178",2,140.3164,2.38
"alpha_naphthoic_acid","bmse000178",3,136.0023,3.43
"alpha_naphthoic_acid","bmse000178",4,131.8378,2.83
"alpha_naphthoic_acid","bmse000178",5,131.5775,11.93
"alpha_naphthoic_acid","bmse000178",6,130.9661,12.32
"alpha_naphthoic_acid","bmse000178",7,129.4469,11.78
"alpha_naphthoic_acid","bmse000178",8,128.9278,12.24
"alpha_naphthoic_acid","bmse000178",9,128.3008,11.2
"alpha_naphthoic_acid","bmse000178",10,128.1263,11.47
"alpha_naphthoic_acid","bmse000178",11,126.9179,12.5
"L_lactic_acid","bmse000208",1,185.2568,1.47
"L_lactic_acid","bmse000208",2,71.1986,10.31
"L_lactic_acid","bmse000208",3,22.7605,12.5
"thymidine","bmse000244",1,169.2606,1.96
"thymidine","bmse000244",2,154.4362,2.17
"thymidine","bmse000244",3,140.2111,10.41
"thymidine","bmse000244",4,114.1556,4.85
"thymidine","bmse000244",5,89.1962,12.5
"thymidine","bmse000244",6,87.7135,11.37
"thymidine","bmse000244",7,73.1301,12.1
"thymidine","bmse000244",8,63.8632,10.49
"thymidine","bmse000244",9,41.1957,10.46
"thymidine","bmse000244",10,14.2614,10.1
"citraconic_acid","bmse000199",1,182.5855,1.19
"citraconic_acid","bmse000199",2,177.0006,1.62
"citraconic_acid","bmse000199",3,150.7235,3.14
"citraconic_acid","bmse000199",4,122.9987,12.5
"citraconic_acid","bmse000199",5,23.083,10.26
"homogentisic_acid","bmse000200",1,183.4495,2.25
"homogentisic_acid","bmse000200",2,151.5798,3.49
"homogentisic_acid","bmse000200",3,150.3577,2.71
"homogentisic_acid","bmse000200",4,128.3103,4.07
"homogentisic_acid","bmse000200",5,120.3611,12.12
"homogentisic_acid","bmse000200",6,119.7948,12.5
"homogentisic_acid","bmse000200",7,117.1989,12.11
"homogentisic_acid","bmse000200",8,42.6626,11.69
"isonicotinic_acid","bmse000133",1,152.265,11.27
"isonicotinic_acid","bmse000133",2,143.3482,1.49
"isonicotinic_acid","bmse000133",3,124.3227,12.5
"homovanillic_acid","bmse000132",1,184.0342,2.31
"homovanillic_acid","bmse000132",2,149.9125,2.75
"homovanillic_acid","bmse000132",3,145.8277,2.64
"homovanillic_acid","bmse000132",4,132.7556,4.92
"homovanillic_acid","bmse000132",5,124.6363,12.01
"homovanillic_acid","bmse000132",6,118.1634,12.5
"homovanillic_acid","bmse000132",7,116.1596,11.86
"homovanillic_acid","bmse000132",8,58.5972,11.89
"homovanillic_acid","bmse000132",9,46.5865,11.75
"cyanuric_acid","bmse000135",1,158.7585,12.5
"ethacrynic_acid","bmse000134",1,202.3118,4.43
"ethacrynic_acid","bmse000134",2,177.9826,5
"ethacrynic_acid","bmse000134",3,158.7271,7.04
"ethacrynic_acid","bmse000134",4,152.4416,9.11
"ethacrynic_acid","bmse000134",5,134.6377,7.45
"ethacrynic_acid","bmse000134",6,134.3055,7.14
"ethacrynic_acid","bmse000134",7,133.1034,4.2
"ethacrynic_acid","bmse000134",8,130.6445,11.98
"ethacrynic_acid","bmse000134",9,124.6188,3.16
"ethacrynic_acid","bmse000134",10,113.5528,12.1
"ethacrynic_acid","bmse000134",11,70.3721,12.5
"ethacrynic_acid","bmse000134",12,25.8093,12.14
"ethacrynic_acid","bmse000134",13,14.5372,10.57
"itaconic_acid","bmse000137",1,183.4319,1.66
"itaconic_acid","bmse000137",2,144.4598,3.08
"itaconic_acid","bmse000137",3,124.7498,11.94
"itaconic_acid","bmse000137",4,44.7199,12.5
"amygdalin","bmse000139",1,135.1591,3.04
"amygdalin","bmse000139",2,133.2211,4.82
"amygdalin","bmse000139",3,132.0805,12.5
"amygdalin","bmse000139",4,130.5071,12.26
"amygdalin","bmse000139",5,121.2539,2.79
"amygdalin","bmse000139",6,105.5549,5
"amygdalin","bmse000139",7,104.1485,4.67
"amygdalin","bmse000139",8,78.6035,5.33
"amygdalin","bmse000139",9,78.2945,5.19
"amygdalin","bmse000139",10,78.182,4.9
"amygdalin","bmse000139",11,78.0819,4.95
"amygdalin","bmse000139",12,75.9,5.09
"amygdalin","bmse000139",13,75.4567,4.78
"amygdalin","bmse000139",14,72.369,5.36
"amygdalin","bmse000139",15,71.8621,4.67
"amygdalin","bmse000139",16,71.7644,5.77
"amygdalin","bmse000139",17,70.9831,3.34
"amygdalin","bmse000139",18,63.4233,3.79
"D_cellobiose","bmse000138",1,105.2663,8.21
"D_cellobiose","bmse000138",2,105.2381,5.61
"D_cellobiose","bmse000138",3,98.4528,7.32
"D_cellobiose","bmse000138",4,94.5197,4.61
"D_cellobiose","bmse000138",5,81.4215,4.68
"D_cellobiose","bmse000138",6,81.2838,7.67
"D_cellobiose","bmse000138",7,78.6932,12.12
"D_cellobiose","bmse000138",8,78.1874,12.5
"D_cellobiose","bmse000138",9,77.5013,7.76
"D_cellobiose","bmse000138",10,76.9856,7.78
"D_cellobiose","bmse000138",11,76.5907,7.38
"D_cellobiose","bmse000138",12,75.8703,9.08
"D_cellobiose","bmse000138",13,74.0348,4.8
"D_cellobiose","bmse000138",14,73.925,5.13
"D_cellobiose","bmse000138",15,72.8163,4.72
"D_cellobiose","bmse000138",16,72.1615,6.12
"D_cellobiose","bmse000138",17,72.1439,8.59
"D_cellobiose","bmse000138",18,63.2643,6.56
"D_cellobiose","bmse000138",19,62.74,5.36
"D_cellobiose","bmse000138",20,62.606,3.56
"gamma_D_galactonolactone","bmse000141",1,178.7234,2.86
"gamma_D_galactonolactone","bmse000141",2,82.7298,12.5
"gamma_D_galactonolactone","bmse000141",3,76.4007,12.48
"gamma_D_galactonolactone","bmse000141",4,75.5187,12.19
"gamma_D_galactonolactone","bmse000141",5,74.2346,3.63
"gamma_D_galactonolactone","bmse000141",6,74.0161,3.26
"gamma_D_galactonolactone","bmse000141",7,72.7812,3.45
"gamma_D_galactonolactone","bmse000141",8,72.4324,3.36
"gamma_D_galactonolactone","bmse000141",9,71.5773,12.34
"gamma_D_galactonolactone","bmse000141",10,66.0277,3.07
"gamma_D_galactonolactone","bmse000141",11,64.6899,11.19
"D_glucuronate","bmse000140",1,179.6525,1.52
"D_glucuronate","bmse000140",2,178.6724,2.78
"D_glucuronate","bmse000140",3,98.5755,11.73
"D_glucuronate","bmse000140",4,94.8123,7.69
"D_glucuronate","bmse000140",5,78.959,12.5
"D_glucuronate","bmse000140",6,78.2467,11.99
"D_glucuronate","bmse000140",7,76.6906,11.59
"D_glucuronate","bmse000140",8,75.2591,7.37
"D_glucuronate","bmse000140",9,74.8051,6.93
"D_glucuronate","bmse000140",10,74.5748,8
"D_glucuronate","bmse000140",11,74.5431,12.46
"D_glucuronate","bmse000140",12,73.9985,7.55
"L_gulonolactone","bmse000235",1,180.7006,2.42
"L_gulonolactone","bmse000235",2,84.0626,11.74
"L_gulonolactone","bmse000235",3,76.1965,2.96
"L_gulonolactone","bmse000235",4,75.331,3.02
"L_gulonolactone","bmse000235",5,74.9955,3.01
"L_gulonolactone","bmse000235",6,73.5223,12.5
"L_gulonolactone","bmse000235",7,73.1631,3.21
"L_gulonolactone","bmse000235",8,72.7983,12.19
"L_gulonolactone","bmse000235",9,72.2798,12.42
"L_gulonolactone","bmse000235",10,65.2205,2.74
"L_gulonolactone","bmse000235",11,64.1843,11.09
"glycogen","bmse000232",1,102.5103,8.96
"glycogen","bmse000232",2,79.5505,5.53
"glycogen","bmse000232",3,75.5834,9.32
"glycogen","bmse000232",4,74.2061,12.5
"glycogen","bmse000232",5,72.0454,4.53
"glycogen","bmse000232",6,63.2055,9.29
"melibiose","bmse000233",1,100.9084,5.19
"melibiose","bmse000233",2,100.8632,7.98
"melibiose","bmse000233",3,98.7735,7.66
"melibiose","bmse000233",4,94.8931,4.76
"melibiose","bmse000233",5,78.5818,7.97
"melibiose","bmse000233",6,77.0484,7.73
"melibiose","bmse000233",7,76.7428,7.76
"melibiose","bmse000233",8,75.6402,4.58
"melibiose","bmse000233",9,74.1149,4.63
"melibiose","bmse000233",10,73.6528,8.49
"melibiose","bmse000233",11,72.7893,4.29
"melibiose","bmse000233",12,72.267,4.52
"melibiose","bmse000233",13,72.1674,11.07
"melibiose","bmse000233",14,72.1167,8.55
"melibiose","bmse000233",15,71.8963,12.5
"melibiose","bmse000233",16,71.1803,5.19
"melibiose","bmse000233",17,71.1491,7.83
"melibiose","bmse000233",18,68.5995,3.44
"melibiose","bmse000233",19,68.5046,5.7
"melibiose","bmse000233",20,63.7983,7.42
"D_glucono_1_5_lactone","bmse000230",1,181.2312,2.98
"D_glucono_1_5_lactone","bmse000230",2,76.6877,12.5
"D_glucono_1_5_lactone","bmse000230",3,75.204,12.42
"D_glucono_1_5_lactone","bmse000230",4,73.8622,12.42
"D_glucono_1_5_lactone","bmse000230",5,73.6372,12.42
"D_glucono_1_5_lactone","bmse000230",6,65.3046,10.99
"N_acetyl_D_glucosamine","bmse000231",1,177.4899,2.8
"N_acetyl_D_glucosamine","bmse000231",2,177.2462,4.07
"N_acetyl_D_glucosamine","bmse000231",3,97.6343,8.26
"N_acetyl_D_glucosamine","bmse000231",4,93.5456,12.5
"N_acetyl_D_glucosamine","bmse000231",5,78.6606,9.02
"N_acetyl_D_glucosamine","bmse000231",6,76.5921,8.56
"N_acetyl_D_glucosamine","bmse000231",7,74.2719,12.4
"N_acetyl_D_glucosamine","bmse000231",8,73.3628,12.21
"N_acetyl_D_glucosamine","bmse000231",9,72.7507,12.34
"N_acetyl_D_glucosamine","bmse000231",10,72.5242,8.84
"N_acetyl_D_glucosamine","bmse000231",11,63.4249,7.22
"N_acetyl_D_glucosamine","bmse000231",12,63.2564,10.49
"N_acetyl_D_glucosamine","bmse000231",13,59.3824,8.25
"N_acetyl_D_glucosamine","bmse000231",14,56.8002,11.86
"N_acetyl_D_glucosamine","bmse000231",15,24.8865,6.38
"N_acetyl_D_glucosamine","bmse000231",16,24.609,9.19
"polygalacturonic_acid","bmse000228",1,178.1914,12.5
"polygalacturonic_acid","bmse000228",2,101.6522,9.97
"polygalacturonic_acid","bmse000228",3,80.5569,9.65
"polygalacturonic_acid","bmse000228",4,73.9772,8.45
"polygalacturonic_acid","bmse000228",5,71.4996,8.28
"polygalacturonic_acid","bmse000228",6,70.7598,8.29
"polygalacturonic_acid","bmse000228",7,26.4074,3.65
"D_saccharate","bmse000239",1,181.3679,2.13
"D_saccharate","bmse000239",2,181.237,1.95
"D_saccharate","bmse000239",3,76.4264,11.96
"D_saccharate","bmse000239",4,76.4165,12.5
"D_saccharate","bmse000239",5,76.2846,9.51
"D_saccharate","bmse000239",6,74.3621,9.95
"stachyose","bmse000240",1,106.5168,12.21
"stachyose","bmse000240",2,101.06,8.92
"stachyose","bmse000240",3,100.7169,10.76
"stachyose","bmse000240",4,94.8219,8.89
"stachyose","bmse000240",5,84.0524,9.16
"stachyose","bmse000240",6,78.9976,9.04
"stachyose","bmse000240",7,76.6795,9.2
"stachyose","bmse000240",8,75.4111,9
"stachyose","bmse000240",9,73.9757,8.23
"stachyose","bmse000240",10,73.7006,10.47
"stachyose","bmse000240",11,73.6476,9.63
"stachyose","bmse000240",12,72.1972,12.5
"stachyose","bmse000240",13,72.173,10.25
"stachyose","bmse000240",14,72.0684,10.06
"stachyose","bmse000240",15,72.0362,10.92
"stachyose","bmse000240",16,71.9303,12.49
"stachyose","bmse000240",17,71.5019,8.73
"stachyose","bmse000240",18,71.1393,9.07
"stachyose","bmse000240",19,70.9835,10.63
"stachyose","bmse000240",20,69.1734,6.48
"stachyose","bmse000240",21,68.5201,5.87
"stachyose","bmse000240",22,65.1886,8.65
"stachyose","bmse000240",23,64.0756,7.23
"stachyose","bmse000240",24,63.8499,10.36
"L_tartaric_acid","bmse000167",1,181.2992,12.5
"D_xylonate_cadmium","bmse000166",1,181.2863,3.14
"D_xylonate_cadmium","bmse000166",2,75.334,10.18
"D_xylonate_cadmium","bmse000166",3,75.0844,12.5
"D_xylonate_cadmium","bmse000166",4,65.059,9.59
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",1,177.4252,6.68
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",2,95.4941,6.42
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",3,95.4396,6.74
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",4,74.801,12.35
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",5,74.139,11.43
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",6,72.7232,12.5
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",7,63.4049,10.26
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",8,60.1376,1.31
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",9,56.8998,5.8
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",10,56.8264,6.12
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",11,24.8578,11.78
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",12,19.5062,1.22
"L_ornithine","bmse000162",1,177.052,2.52
"L_ornithine","bmse000162",2,56.8032,12.42
"L_ornithine","bmse000162",3,41.5581,10.67
"L_ornithine","bmse000162",4,30.183,12.5
"L_ornithine","bmse000162",5,25.4674,10.78
"D_alanine","bmse000236",1,178.5839,1.59
"D_alanine","bmse000236",2,53.2011,9.79
"D_alanine","bmse000236",3,18.8519,12.5
"4_nitrophenol","bmse000223",1,130.0111,12.5
"4_nitrophenol","bmse000223",2,129.9947,12.29
"4_nitrophenol","bmse000223",3,120.3011,8.51
"4_nitrophenol","bmse000223",4,120.2591,10.79
"D_L_glyceraldehyde","bmse000225",1,92.4597,11.03
"D_L_glyceraldehyde","bmse000225",2,76.7639,11.48
"D_L_glyceraldehyde","bmse000225",3,64.6759,12.5
"4_hydroxycinnamic_acid","bmse000150",1,178.908,1.38
"4_hydroxycinnamic_acid","bmse000150",2,159.818,1.85
"4_hydroxycinnamic_acid","bmse000150",3,143.5246,4.55
"4_hydroxycinnamic_acid","bmse000150",4,132.2994,11.74
"4_hydroxycinnamic_acid","bmse000150",5,130.1932,2.25
"4_hydroxycinnamic_acid","bmse000150",6,124.1229,4.91
"4_hydroxycinnamic_acid","bmse000150",7,118.5321,12.5
"alpha_D_galactose_1_phosphate","bmse000151",1,96.62,5.96
"alpha_D_galactose_1_phosphate","bmse000151",2,96.566,5.93
"alpha_D_galactose_1_phosphate","bmse000151",3,73.8281,11.4
"alpha_D_galactose_1_phosphate","bmse000151",4,72.304,10.42
"alpha_D_galactose_1_phosphate","bmse000151",5,72.1558,12.5
"alpha_D_galactose_1_phosphate","bmse000151",6,71.7402,5.87
"alpha_D_galactose_1_phosphate","bmse000151",7,71.6737,5.84
"alpha_D_galactose_1_phosphate","bmse000151",8,64.0705,10.09
"dAMP","bmse000250",1,155.0627,3.71
"dAMP","bmse000250",2,142.9366,3.42
"dAMP","bmse000250",3,90.1821,11.54
"dAMP","bmse000250",4,87.3797,7.1
"dAMP","bmse000250",5,74.0139,10.26
"dAMP","bmse000250",6,64.4148,12.5
"dAMP","bmse000250",7,41.7694,7.82
"Oxalosuccinate","bmse000251",1,184.1371,2.15
"Oxalosuccinate","bmse000251",2,172.7664,1.95
"Oxalosuccinate","bmse000251",3,52.8383,1.48
"Oxalosuccinate","bmse000251",4,38.5758,5.93
"Oxalosuccinate","bmse000251",5,38.454,1.48
"Oxalosuccinate","bmse000251",6,38.2644,1.54
"Oxalosuccinate","bmse000251",7,38.0683,1.39
"Oxalosuccinate","bmse000251",8,36.9355,3.83
"Oxalosuccinate","bmse000251",9,35.3007,1.19
"Oxalosuccinate","bmse000251",10,34.9692,1.16
"Oxalosuccinate","bmse000251",11,33.3147,5.48
"Oxalosuccinate","bmse000251",12,33.2611,6.95
"Oxalosuccinate","bmse000251",13,33.2048,12.5
"Oxalosuccinate","bmse000251",14,25.9719,1.99
"Salicylate","bmse000252",1,178.336,1.8
"Salicylate","bmse000252",2,162.3095,1.9
"Salicylate","bmse000252",3,136.7054,12.5
"Salicylate","bmse000252",4,133.2002,11.8
"Salicylate","bmse000252",5,122.0978,11.69
"Salicylate","bmse000252",6,120.713,2.32
"Salicylate","bmse000252",7,119.007,12.31
"dADP","bmse000253",1,158.1421,4.9
"dADP","bmse000253",2,155.3005,9.18
"dADP","bmse000253",3,151.2181,2.23
"dADP","bmse000253",4,142.6258,3.6
"dADP","bmse000253",5,121.1832,1.88
"dADP","bmse000253",6,88.4189,5.03
"dADP","bmse000253",7,88.3329,5.02
"dADP","bmse000253",8,86.1412,10.03
"dADP","bmse000253",9,73.3197,12.5
"dADP","bmse000253",10,67.3652,4.1
"dADP","bmse000253",11,67.3129,3.98
"dADP","bmse000253",12,41.5514,9.81
"D_Fructose_1_phosphate","bmse000254",1,100.8301,3.74
"D_Fructose_1_phosphate","bmse000254",2,100.7578,3.97
"D_Fructose_1_phosphate","bmse000254",3,83.1443,1.21
"D_Fructose_1_phosphate","bmse000254",4,78.79,1.8
"D_Fructose_1_phosphate","bmse000254",5,76.8304,1.21
"D_Fructose_1_phosphate","bmse000254",6,72.0493,12.5
"D_Fructose_1_phosphate","bmse000254",7,71.8351,11.69
"D_Fructose_1_phosphate","bmse000254",8,70.5098,12.35
"D_Fructose_1_phosphate","bmse000254",9,68.9967,5.19
"D_Fructose_1_phosphate","bmse000254",10,68.9492,5.25
"D_Fructose_1_phosphate","bmse000254",11,66.0887,9.73
"D_Fructose_1_phosphate","bmse000254",12,64.969,2.12
"D_Fructose_1_phosphate","bmse000254",13,64.1264,1.29
"ITP","bmse000255",1,161.4399,4.25
"ITP","bmse000255",2,151.5943,2.62
"ITP","bmse000255",3,149.0201,9.65
"ITP","bmse000255",4,142.5226,5.74
"ITP","bmse000255",5,126.3562,2.24
"ITP","bmse000255",6,90.276,1.56
"ITP","bmse000255",7,89.9312,10.81
"ITP","bmse000255",8,86.8306,5.65
"ITP","bmse000255",9,86.7415,5.81
"ITP","bmse000255",10,77.2254,2.18
"ITP","bmse000255",11,77.1273,12.5
"ITP","bmse000255",12,72.8596,11.68
"ITP","bmse000255",13,72.5243,2.14
"ITP","bmse000255",14,67.7479,4.35
"ITP","bmse000255",15,67.695,4.23
"Formaldehyde","bmse000256",1,84.4358,12.5
"FMN","bmse000257",1,163.2526,6.78
"FMN","bmse000257",2,160.3175,7.33
"FMN","bmse000257",3,153.429,6.6
"FMN","bmse000257",4,152.3129,4.11
"FMN","bmse000257",5,142.1584,7.18
"FMN","bmse000257",6,136.6282,6.86
"FMN","bmse000257",7,136.1877,6.82
"FMN","bmse000257",8,134.1083,4
"FMN","bmse000257",9,132.8224,4.98
"FMN","bmse000257",10,119.7064,4.78
"FMN","bmse000257",11,75.2209,6.14
"FMN","bmse000257",12,74.4868,3.9
"FMN","bmse000257",13,74.4237,3.92
"FMN","bmse000257",14,72.0087,6.36
"FMN","bmse000257",15,67.8012,3.52
"FMN","bmse000257",16,50.1474,2.93
"FMN","bmse000257",17,23.466,11.62
"FMN","bmse000257",18,21.3437,12.5
"Glycolaldehyde","bmse000258",1,92.374,9.81
"Glycolaldehyde","bmse000258",2,67.1623,12.5
"4_Hydroxybenzaldehyde","bmse000259",1,197.0798,3.76
"4_Hydroxybenzaldehyde","bmse000259",2,136.1538,9.71
"4_Hydroxybenzaldehyde","bmse000259",3,129.545,1.03
"4_Hydroxybenzaldehyde","bmse000259",4,119.8609,12.5
"Nicotinamide_D_ribonucleotide","bmse000260",1,175.8236,3.35
"Nicotinamide_D_ribonucleotide","bmse000260",2,141.0654,10.52
"Nicotinamide_D_ribonucleotide","bmse000260",3,127.6138,9.12
"Nicotinamide_D_ribonucleotide","bmse000260",4,108.182,10.66
"Nicotinamide_D_ribonucleotide","bmse000260",5,103.4044,6.52
"Nicotinamide_D_ribonucleotide","bmse000260",6,103.1839,1.61
"Nicotinamide_D_ribonucleotide","bmse000260",7,97.6396,11.48
"Nicotinamide_D_ribonucleotide","bmse000260",8,85.9422,6.34
"Nicotinamide_D_ribonucleotide","bmse000260",9,85.8555,6.04
"Nicotinamide_D_ribonucleotide","bmse000260",10,80.4925,1.81
"Nicotinamide_D_ribonucleotide","bmse000260",11,74.2063,1.79
"Nicotinamide_D_ribonucleotide","bmse000260",12,73.4952,12.5
"Nicotinamide_D_ribonucleotide","bmse000260",13,73.3372,12.21
"Nicotinamide_D_ribonucleotide","bmse000260",14,66.7617,5.06
"Nicotinamide_D_ribonucleotide","bmse000260",15,66.7167,4.78
"Nicotinamide_D_ribonucleotide","bmse000260",16,24.6964,9.6
"Acetyl_phosphate","bmse000261",1,175.0096,3.44
"Acetyl_phosphate","bmse000261",2,25.9801,10.24
"Acetyl_phosphate","bmse000261",3,24.7883,12.5
"Acetyl_phosphate","bmse000261",4,24.7425,11.1
"3_4_Hydroxyphenyl_pyruvate","bmse000262",1,157.3242,1.3
"3_4_Hydroxyphenyl_pyruvate","bmse000262",2,133.865,7.91
"3_4_Hydroxyphenyl_pyruvate","bmse000262",3,118.3826,12.5
"3_4_Hydroxyphenyl_pyruvate","bmse000262",4,117.7478,1.45
"NADP","bmse000263",1,167.8496,4.47
"NADP","bmse000263",2,158.1147,5.39
"NADP","bmse000263",3,155.428,9.01
"NADP","bmse000263",4,151.6757,5.76
"NADP","bmse000263",5,148.3745,7.75
"NADP","bmse000263",6,145.0167,6.29
"NADP","bmse000263",7,142.8886,8.29
"NADP","bmse000263",8,142.5477,5.92
"NADP","bmse000263",9,136.304,8.28
"NADP","bmse000263",10,131.3453,8.51
"NADP","bmse000263",11,121.1612,3.82
"NADP","bmse000263",12,102.729,11.11
"NADP","bmse000263",13,89.8221,5.86
"NADP","bmse000263",14,89.7336,5.64
"NADP","bmse000263",15,89.2538,5.26
"NADP","bmse000263",16,89.1719,5.28
"NADP","bmse000263",17,85.7472,5.48
"NADP","bmse000263",18,85.6577,5.52
"NADP","bmse000263",19,80.3221,12.5
"NADP","bmse000263",20,78.7636,5.55
"NADP","bmse000263",21,78.722,5.71
"NADP","bmse000263",22,73.3731,12.23
"NADP","bmse000263",23,72.7335,7.06
"NADP","bmse000263",24,68.2193,4.11
"NADP","bmse000263",25,67.6754,4.43
"NADP","bmse000263",26,57.0544,1.98
"4_Nitrophenyl_phosphate","bmse000264",1,163.0405,1.08
"4_Nitrophenyl_phosphate","bmse000264",2,144.5179,1.04
"4_Nitrophenyl_phosphate","bmse000264",3,128.4131,12.5
"4_Nitrophenyl_phosphate","bmse000264",4,122.6671,7.06
"4_Nitrophenyl_phosphate","bmse000264",5,122.6148,7.04
"4_Nitrocatechol","bmse000265",1,164.1278,1.69
"4_Nitrocatechol","bmse000265",2,148.5107,2.32
"4_Nitrocatechol","bmse000265",3,138.4594,1.3
"4_Nitrocatechol","bmse000265",4,122.9045,11.12
"4_Nitrocatechol","bmse000265",5,118.6529,12.08
"4_Nitrocatechol","bmse000265",6,112.45,12.5
"UDP","bmse000266",1,169.0888,5
"UDP","bmse000266",2,154.545,3.74
"UDP","bmse000266",3,144.5243,8.52
"UDP","bmse000266",4,105.234,10.35
"UDP","bmse000266",5,91.4445,11.2
"UDP","bmse000266",6,85.9024,5.62
"UDP","bmse000266",7,85.8136,5.66
"UDP","bmse000266",8,76.5959,12.5
"UDP","bmse000266",9,71.8259,11.92
"UDP","bmse000266",10,66.8315,4.4
"UDP","bmse000266",11,66.7792,4.54
"Formamide","bmse000267",1,169.4492,12.5
"R_Lactate","bmse000269",1,185.265,2.92
"R_Lactate","bmse000269",2,71.1978,10.49
"R_Lactate","bmse000269",3,22.7641,12.5
"GDP","bmse000270",1,161.6068,4.89
"GDP","bmse000270",2,156.6326,5.27
"GDP","bmse000270",3,154.1538,4.67
"GDP","bmse000270",4,140.2801,1.14
"GDP","bmse000270",5,140.1096,6.84
"GDP","bmse000270",6,118.7579,3.69
"GDP","bmse000270",7,89.8065,11.14
"GDP","bmse000270",8,86.2198,5.66
"GDP","bmse000270",9,86.132,5.77
"GDP","bmse000270",10,76.7534,12.5
"GDP","bmse000270",11,72.5131,12.28
"GDP","bmse000270",12,67.1729,4.45
"GDP","bmse000270",13,67.1215,4.26
"CoA","bmse000271",1,177.6817,2.7
"CoA","bmse000271",2,177.4294,8.2
"CoA","bmse000271",3,176.8233,2.08
"CoA","bmse000271",4,176.7106,6.6
"CoA","bmse000271",5,158.389,5.21
"CoA","bmse000271",6,155.6654,8.04
"CoA","bmse000271",7,155.5753,5.97
"CoA","bmse000271",8,152.1398,5.55
"CoA","bmse000271",9,152.0219,2.76
"CoA","bmse000271",10,142.9347,4.88
"CoA","bmse000271",11,142.6212,6.68
"CoA","bmse000271",12,121.3186,3.76
"CoA","bmse000271",13,89.3885,6.08
"CoA","bmse000271",14,89.1901,9.09
"CoA","bmse000271",15,87.3585,1.54
"CoA","bmse000271",16,87.3087,1.85
"CoA","bmse000271",17,87.2237,1.74
"CoA","bmse000271",18,86.8498,2.3
"CoA","bmse000271",19,86.7595,2.57
"CoA","bmse000271",20,85.3884,1.1
"CoA","bmse000271",21,79.6453,1.28
"CoA","bmse000271",22,79.1396,1.19
"CoA","bmse000271",23,78.2226,1.22
"CoA","bmse000271",24,77.5422,4.25
"CoA","bmse000271",25,77.2177,3.82
"CoA","bmse000271",26,77.1851,3.69
"CoA","bmse000271",27,76.9949,5.4
"CoA","bmse000271",28,76.9604,4.74
"CoA","bmse000271",29,76.7805,9.52
"CoA","bmse000271",30,76.4673,4.19
"CoA","bmse000271",31,76.4236,8.22
"CoA","bmse000271",32,76.3796,5.46
"CoA","bmse000271",33,74.5542,4.24
"CoA","bmse000271",34,74.4922,3.65
"CoA","bmse000271",35,73.328,2.2
"CoA","bmse000271",36,73.2765,1.86
"CoA","bmse000271",37,68.4744,3.83
"CoA","bmse000271",38,68.4222,3.88
"CoA","bmse000271",39,66.6691,2.47
"CoA","bmse000271",40,66.6238,2.86
"CoA","bmse000271",41,45.0428,4.93
"CoA","bmse000271",42,44.9976,11.76
"CoA","bmse000271",43,44.9048,1.18
"CoA","bmse000271",44,41.1259,2.81
"CoA","bmse000271",45,41.0359,6.14
"CoA","bmse000271",46,40.9558,6.01
"CoA","bmse000271",47,40.7593,1.76
"CoA","bmse000271",48,39.1263,1.74
"CoA","bmse000271",49,38.2973,1.72
"CoA","bmse000271",50,38.1621,9.87
"CoA","bmse000271",51,38.0817,9.25
"CoA","bmse000271",52,25.7997,12.5
"CoA","bmse000271",53,24.0869,1.45
"CoA","bmse000271",54,23.9984,3.96
"CoA","bmse000271",55,23.5128,8.93
"CoA","bmse000271",56,22.6789,1.36
"CoA","bmse000271",57,20.9419,3.81
"CoA","bmse000271",58,20.7819,9.63
"CoA","bmse000271",59,20.1012,1.78
"CDP","bmse000272",1,168.8761,4.9
"CDP","bmse000272",2,160.4002,4.39
"CDP","bmse000272",3,144.5698,1.09
"CDP","bmse000272",4,144.266,8.55
"CDP","bmse000272",5,99.3648,1.46
"CDP","bmse000272",6,99.2242,9.38
"CDP","bmse000272",7,92.2295,11.24
"CDP","bmse000272",8,91.8456,1.72
"CDP","bmse000272",9,85.3396,5.74
"CDP","bmse000272",10,85.2502,5.69
"CDP","bmse000272",11,77.0076,12.5
"CDP","bmse000272",12,72.3706,1.47
"CDP","bmse000272",13,71.4858,12.07
"CDP","bmse000272",14,66.6366,4.51
"CDP","bmse000272",15,66.5841,4.41
"D_Aspartate","bmse000273",1,180.3052,2.2
"D_Aspartate","bmse000273",2,177.0122,1.98
"D_Aspartate","bmse000273",3,54.9072,9.91
"D_Aspartate","bmse000273",4,39.2644,12.5
"Thiamin","bmse000274",1,171.726,5.58
"Thiamin","bmse000274",2,164.5163,3.11
"Thiamin","bmse000274",3,159.8969,10.99
"Thiamin","bmse000274",4,145.552,3.59
"Thiamin","bmse000274",5,138.7379,4.97
"Thiamin","bmse000274",6,107.1899,6.29
"Thiamin","bmse000274",7,63.1255,12.5
"Thiamin","bmse000274",8,53.7574,10.69
"Thiamin","bmse000274",9,31.9248,12.41
"Thiamin","bmse000274",10,26.7632,11.25
"Thiamin","bmse000274",11,13.8517,12.02
"D_Fructose_2_6_bisphosphate","bmse000275",1,106.8714,4.79
"D_Fructose_2_6_bisphosphate","bmse000275",2,106.8017,4.74
"D_Fructose_2_6_bisphosphate","bmse000275",3,82.9825,6.41
"D_Fructose_2_6_bisphosphate","bmse000275",4,82.912,6.28
"D_Fructose_2_6_bisphosphate","bmse000275",5,80.0513,6.58
"D_Fructose_2_6_bisphosphate","bmse000275",6,80.0052,6.39
"D_Fructose_2_6_bisphosphate","bmse000275",7,78.0543,12.5
"D_Fructose_2_6_bisphosphate","bmse000275",8,68.3553,5.53
"D_Fructose_2_6_bisphosphate","bmse000275",9,68.3079,5.71
"D_Fructose_2_6_bisphosphate","bmse000275",10,65.2002,7.1
"D_Fructose_2_6_bisphosphate","bmse000275",11,60.1397,1.11
"D_Fructose_2_6_bisphosphate","bmse000275",12,19.51,1.19
"Ethanolamine","bmse000276",1,60.3171,12.5
"Ethanolamine","bmse000276",2,43.9507,8.05
"CTP","bmse000277",1,168.8983,5.15
"CTP","bmse000277",2,160.5208,4.42
"CTP","bmse000277",3,144.2311,8.6
"CTP","bmse000277",4,99.3524,9.52
"CTP","bmse000277",5,91.8085,11.04
"CTP","bmse000277",6,85.501,5.68
"CTP","bmse000277",7,85.4107,5.57
"CTP","bmse000277",8,77.0203,1.35
"CTP","bmse000277",9,76.8989,12.5
"CTP","bmse000277",10,71.7933,11.89
"CTP","bmse000277",11,71.4631,1.06
"CTP","bmse000277",12,67.272,4.2
"CTP","bmse000277",13,67.2177,4.39
"D_Ribulose_5_phosphate","bmse000278",1,103.8241,7.82
"D_Ribulose_5_phosphate","bmse000278",2,98.9771,2.24
"D_Ribulose_5_phosphate","bmse000278",3,85.3023,1.6
"D_Ribulose_5_phosphate","bmse000278",4,84.6704,3.81
"D_Ribulose_5_phosphate","bmse000278",5,84.5875,4.13
"D_Ribulose_5_phosphate","bmse000278",6,78.03,9.99
"D_Ribulose_5_phosphate","bmse000278",7,73.4112,12.5
"D_Ribulose_5_phosphate","bmse000278",8,72.931,3.83
"D_Ribulose_5_phosphate","bmse000278",9,67.3547,5.39
"D_Ribulose_5_phosphate","bmse000278",10,67.3093,5.5
"D_Ribulose_5_phosphate","bmse000278",11,66.4813,2.3
"Urocanate","bmse000279",1,178.6198,2.5
"Urocanate","bmse000279",2,140.3626,11.29
"Urocanate","bmse000279",3,137.0776,2.14
"Urocanate","bmse000279",4,133.668,10.36
"Urocanate","bmse000279",5,124.4849,12.5
"Urocanate","bmse000279",6,123.9802,8.38
"UMP","bmse000280",1,169.0839,4.57
"UMP","bmse000280",2,154.6578,3.41
"UMP","bmse000280",3,144.8275,8.54
"UMP","bmse000280",4,105.3924,10.43
"UMP","bmse000280",5,91.006,11.31
"UMP","bmse000280",6,86.9204,5.97
"UMP","bmse000280",7,86.8326,6.05
"UMP","bmse000280",8,76.6643,12.5
"UMP","bmse000280",9,72.7729,12.16
"UMP","bmse000280",10,65.9126,4.79
"UMP","bmse000280",11,65.8681,4.9
"Nicotinamide","bmse000281",1,154.5266,12.5
"Nicotinamide","bmse000281",2,150.344,11.49
"Nicotinamide","bmse000281",3,139.1539,11.48
"Nicotinamide","bmse000281",4,131.9398,1.76
"Nicotinamide","bmse000281",5,126.9235,10.76
"DL_Alanine","bmse000282",1,178.5738,1.77
"DL_Alanine","bmse000282",2,53.2017,9.6
"DL_Alanine","bmse000282",3,18.85,12.5
"Orotate","bmse000283",1,104.064,12.5
"Benzonitrile","bmse000284",1,136.2019,8.6
"Benzonitrile","bmse000284",2,135.1116,12.5
"Benzonitrile","bmse000284",3,131.8912,12.48
"Choline","bmse000285",1,70.1479,3.39
"Choline","bmse000285",2,70.1177,3.59
"Choline","bmse000285",3,70.0875,3.34
"Choline","bmse000285",4,58.3089,8.06
"Choline","bmse000285",5,56.621,11.8
"Choline","bmse000285",6,56.5813,12.5
"Choline","bmse000285",7,56.542,12.01
"Acetophenone","bmse000286",1,136.8469,7.17
"Acetophenone","bmse000286",2,131.5104,12.5
"Acetophenone","bmse000286",3,131.2516,11.84
"Acetophenone","bmse000286",4,28.9711,3.47
"Pantothenate","bmse000287",1,183.0208,3.24
"Pantothenate","bmse000287",2,177.6531,4.02
"Pantothenate","bmse000287",3,78.4586,12.5
"Pantothenate","bmse000287",4,71.0985,10.81
"Pantothenate","bmse000287",5,41.2778,8.26
"Pantothenate","bmse000287",6,39.3779,10.45
"Pantothenate","bmse000287",7,38.8533,9.94
"Pantothenate","bmse000287",8,23.2349,9.96
"Pantothenate","bmse000287",9,21.8424,10.1
"Pyridoxine","bmse000288",1,163.4259,2.28
"Pyridoxine","bmse000288",2,146.9983,3.52
"Pyridoxine","bmse000288",3,141.4468,3.78
"Pyridoxine","bmse000288",4,138.1842,4.52
"Pyridoxine","bmse000288",5,127.4073,3.84
"Pyridoxine","bmse000288",6,61.4656,12.5
"Pyridoxine","bmse000288",7,58.6687,10.33
"Pyridoxine","bmse000288",8,18.2013,8.23
"S_Adenosyl_L_homocysteine","bmse000289",1,176.8876,4.61
"S_Adenosyl_L_homocysteine","bmse000289",2,158.3878,3.44
"S_Adenosyl_L_homocysteine","bmse000289",3,155.6615,9.39
"S_Adenosyl_L_homocysteine","bmse000289",4,151.6956,3.2
"S_Adenosyl_L_homocysteine","bmse000289",5,142.814,7.91
"S_Adenosyl_L_homocysteine","bmse000289",6,121.5644,2.04
"S_Adenosyl_L_homocysteine","bmse000289",7,90.125,10.63
"S_Adenosyl_L_homocysteine","bmse000289",8,90.0104,2.04
"S_Adenosyl_L_homocysteine","bmse000289",9,86.1029,11.9
"S_Adenosyl_L_homocysteine","bmse000289",10,75.9715,11.38
"S_Adenosyl_L_homocysteine","bmse000289",11,75.0004,12.5
"S_Adenosyl_L_homocysteine","bmse000289",12,56.4364,10.43
"S_Adenosyl_L_homocysteine","bmse000289",13,36.2065,8.4
"S_Adenosyl_L_homocysteine","bmse000289",14,33.1203,8.91
"S_Adenosyl_L_homocysteine","bmse000289",15,30.4627,9.14
"Phenol","bmse000290",1,132.703,11.87
"Phenol","bmse000290",2,123.3534,6.56
"Phenol","bmse000290",3,118.0886,12.5
"Selenomethionine","bmse000291",1,176.8764,2.7
"Selenomethionine","bmse000291",2,57.3265,11.71
"Selenomethionine","bmse000291",3,33.5106,11.73
"Selenomethionine","bmse000291",4,21.8408,12.5
"Selenomethionine","bmse000291",5,5.875,6.96
"UDPglucuronate","bmse000292",1,179.1513,4.63
"UDPglucuronate","bmse000292",2,169.0242,5.14
"UDPglucuronate","bmse000292",3,154.6097,3.93
"UDPglucuronate","bmse000292",4,144.2873,8.42
"UDPglucuronate","bmse000292",5,105.4108,10.1
"UDPglucuronate","bmse000292",6,98.1166,5.83
"UDPglucuronate","bmse000292",7,98.0506,5.78
"UDPglucuronate","bmse000292",8,91.0126,10.69
"UDPglucuronate","bmse000292",9,86.0368,5.52
"UDPglucuronate","bmse000292",10,85.9455,5.68
"UDPglucuronate","bmse000292",11,76.498,12.5
"UDPglucuronate","bmse000292",12,75.7603,10.99
"UDPglucuronate","bmse000292",13,75.2986,10.18
"UDPglucuronate","bmse000292",14,74.5675,11.19
"UDPglucuronate","bmse000292",15,74.1227,5.66
"UDPglucuronate","bmse000292",16,74.0395,5.54
"UDPglucuronate","bmse000292",17,72.367,11.96
"UDPglucuronate","bmse000292",18,67.7081,4.35
"UDPglucuronate","bmse000292",19,67.6532,4.54
"UDPglucuronate","bmse000292",20,60.142,1.01
"UDPglucuronate","bmse000292",21,19.5053,1.3
"Hydroquinone","bmse000293",1,151.6552,1.09
"Hydroquinone","bmse000293",2,119.0705,12.5
"Methanol","bmse000294",1,51.571,12.5
"Methanol","bmse000294",2,8.3835,1.29
"UTP","bmse000295",1,169.0527,4.84
"UTP","bmse000295",2,154.6305,3.56
"UTP","bmse000295",3,144.4685,8.62
"UTP","bmse000295",4,105.3558,9.9
"UTP","bmse000295",5,90.9803,10.91
"UTP","bmse000295",6,86.0794,5.45
"UTP","bmse000295",7,85.9897,5.66
"UTP","bmse000295",8,76.4645,12.5
"UTP","bmse000295",9,72.1667,11.59
"UTP","bmse000295",10,67.5196,4.26
"UTP","bmse000295",11,67.4644,4.32
"UTP","bmse000295",12,60.1427,1.1
"dTMP","bmse000296",1,169.2356,1.23
"dTMP","bmse000296",2,160.5265,1.29
"dTMP","bmse000296",3,154.4333,1.31
"dTMP","bmse000296",4,140.1216,3.35
"dTMP","bmse000296",5,114.2982,2.37
"dTMP","bmse000296",6,88.3382,2.04
"dTMP","bmse000296",7,88.2519,1.87
"dTMP","bmse000296",8,87.8416,3.66
"dTMP","bmse000296",9,73.7576,4.03
"dTMP","bmse000296",10,69.7071,3.43
"dTMP","bmse000296",11,69.6331,3.39
"dTMP","bmse000296",12,68.674,6.88
"dTMP","bmse000296",13,67.0077,1.54
"dTMP","bmse000296",14,66.9519,1.6
"dTMP","bmse000296",15,57.1741,5.62
"dTMP","bmse000296",16,50.7174,6.42
"dTMP","bmse000296",17,47.4494,6.5
"dTMP","bmse000296",18,41.3959,3.4
"dTMP","bmse000296",19,35.6124,12.5
"dTMP","bmse000296",20,27.378,11.97
"dTMP","bmse000296",21,27.3297,7.39
"dTMP","bmse000296",22,14.3887,4.03
"Ethanol","bmse000297",1,60.1347,10.57
"Ethanol","bmse000297",2,19.4922,12.5
"D_Glyceraldehyde","bmse000298",1,92.4619,11.47
"D_Glyceraldehyde","bmse000298",2,76.7643,11.97
"D_Glyceraldehyde","bmse000298",3,67.5383,2.02
"D_Glyceraldehyde","bmse000298",4,64.6757,12.5
"Folate","bmse000299",1,185.1947,10.02
"Folate","bmse000299",2,182.1813,8.33
"Folate","bmse000299",3,171.6618,6.23
"Folate","bmse000299",4,167.4706,1.1
"Folate","bmse000299",5,156.8561,3.58
"Folate","bmse000299",6,154.9662,1.2
"Folate","bmse000299",7,152.4534,5.63
"Folate","bmse000299",8,150.9644,2.57
"Folate","bmse000299",9,150.4027,4.37
"Folate","bmse000299",10,131.6987,1.03
"Folate","bmse000299",11,131.3015,7.38
"Folate","bmse000299",12,129.0129,4.84
"Folate","bmse000299",13,123.0856,5.17
"Folate","bmse000299",14,113.9108,6.41
"Folate","bmse000299",15,58.6333,8.76
"Folate","bmse000299",16,47.4239,2.98
"Folate","bmse000299",17,37.0651,12.5
"Folate","bmse000299",18,31.1742,7.87
"Benzoate","bmse000300",1,138.9121,1.04
"Benzoate","bmse000300",2,133.9731,7.03
"Benzoate","bmse000300",3,131.4957,12.46
"Benzoate","bmse000300",4,131.0181,12.5
"1_3_diaminopropane","bmse000001",1,39.3182,12.5
"1_3_diaminopropane","bmse000001",2,27.6038,6.62
"2_3_diphospho_D_glyceric_acid","bmse000002",1,180.6244,6.14
"2_3_diphospho_D_glyceric_acid","bmse000002",2,77.8926,9.81
"2_3_diphospho_D_glyceric_acid","bmse000002",3,77.8397,8.95
"2_3_diphospho_D_glyceric_acid","bmse000002",4,77.8017,8.58
"2_3_diphospho_D_glyceric_acid","bmse000002",5,77.7593,8.04
"2_3_diphospho_D_glyceric_acid","bmse000002",6,69.2089,12.5
"2_deoxyguanosine","bmse000003",1,140.4376,7.32
"2_deoxyguanosine","bmse000003",2,89.8652,7.61
"2_deoxyguanosine","bmse000003",3,86.6745,9.57
"2_deoxyguanosine","bmse000003",4,73.9059,12.5
"2_deoxyguanosine","bmse000003",5,64.3305,8.45
"2_deoxyguanosine","bmse000003",6,41.3976,8.86
"adenine","bmse000060",1,153.1875,0.8
"adenine","bmse000060",2,151.829,1.02
"adenine","bmse000060",3,147.5748,11.47
"adenine","bmse000060",4,146.3944,12.5
"adenine","bmse000060",5,118.324,0.66
"adenosine","bmse000061",1,155.2065,8.59
"adenosine","bmse000061",2,151.091,3.13
"adenosine","bmse000061",3,143.2708,6.58
"adenosine","bmse000061",4,91.0332,10.74
"adenosine","bmse000061",5,88.5401,11.36
"adenosine","bmse000061",6,76.3929,12.5
"adenosine","bmse000061",7,73.3525,11.01
"adenosine","bmse000061",8,64.2162,10.03
"adenosine","bmse000061",9,133.0864,1.07
"adonitol","bmse000062",1,74.8925,6.76
"adonitol","bmse000062",2,74.8008,11.44
"adonitol","bmse000062",3,65.0705,12.5
"ADP","bmse000004",1,158.1533,6.68
"ADP","bmse000004",2,155.4207,12.01
"ADP","bmse000004",3,151.6456,1.97
"ADP","bmse000004",4,151.5495,1.81
"ADP","bmse000004",5,142.8127,2.95
"ADP","bmse000004",6,142.5832,3.64
"ADP","bmse000004",7,121.1747,1.72
"ADP","bmse000004",8,89.778,10.17
"ADP","bmse000004",9,89.5551,6.01
"ADP","bmse000004",10,87.4621,3.15
"ADP","bmse000004",11,87.3746,3.43
"ADP","bmse000004",12,86.4858,4.81
"ADP","bmse000004",13,86.3979,5.28
"ADP","bmse000004",14,77.2288,6.53
"ADP","bmse000004",15,77.0622,12.5
"ADP","bmse000004",16,73.4056,6.43
"ADP","bmse000004",17,72.6057,12.04
"ADP","bmse000004",18,67.1794,3.82
"ADP","bmse000004",19,67.1297,3.91
"ADP","bmse000004",20,66.2518,2.61
"ADP","bmse000004",21,66.2091,2.71
"agmatine","bmse000063",1,159.5178,1.15
"agmatine","bmse000063",2,43.1542,9.26
"agmatine","bmse000063",3,41.7324,8.53
"agmatine","bmse000063",4,27.7024,11.07
"agmatine","bmse000063",5,26.715,12.5
"D_allose","bmse000008",1,96.1036,10.7
"D_allose","bmse000008",2,95.5286,1.55
"D_allose","bmse000008",3,76.2932,11.82
"D_allose","bmse000008",4,74.3841,1.58
"D_allose","bmse000008",5,73.9304,11.03
"D_allose","bmse000008",6,73.8513,12.02
"D_allose","bmse000008",7,69.7109,1.21
"D_allose","bmse000008",8,69.5516,1.22
"D_allose","bmse000008",9,69.4757,12.5
"D_allose","bmse000008",10,68.7507,2.03
"D_allose","bmse000008",11,63.8517,10.79
"D_allose","bmse000008",12,63.3663,1.24
"D_fructose","bmse000010",1,100.7878,2.8
"D_fructose","bmse000010",2,83.3844,4
"D_fructose","bmse000010",3,78.7409,1.35
"D_fructose","bmse000010",4,78.0833,3.23
"D_fructose","bmse000010",5,77.1431,3.97
"D_fructose","bmse000010",6,72.3808,12.5
"D_fructose","bmse000010",7,71.9017,10.92
"D_fructose","bmse000010",8,70.2559,10.72
"D_fructose","bmse000010",9,66.587,11.06
"D_fructose","bmse000010",10,66.0735,12.1
"D_fructose","bmse000010",11,65.3682,3.85
"D_fructose","bmse000010",12,65.074,4.07
"D_galactose","bmse000013",1,99.1714,10.5
"D_galactose","bmse000013",2,94.9986,5.59
"D_galactose","bmse000013",3,77.8681,12.5
"D_galactose","bmse000013",4,75.5121,11.36
"D_galactose","bmse000013",5,74.5893,11.5
"D_galactose","bmse000013",6,73.1956,6.08
"D_galactose","bmse000013",7,72.0185,5.93
"D_galactose","bmse000013",8,71.879,5.94
"D_galactose","bmse000013",9,71.4595,12.5
"D_galactose","bmse000013",10,71.0589,5.22
"D_galactose","bmse000013",11,63.8951,5.64
"D_galactose","bmse000013",12,63.6909,11.96
"D_glucose","bmse000015",1,98.6177,12.18
"D_glucose","bmse000015",2,94.8017,7.46
"D_glucose","bmse000015",3,78.6602,12.5
"D_glucose","bmse000015",4,78.46,12.38
"D_glucose","bmse000015",5,76.8429,11.94
"D_glucose","bmse000015",6,75.4621,6.95
"D_glucose","bmse000015",7,74.1868,7.96
"D_glucose","bmse000015",8,74.1521,7.85
"D_glucose","bmse000015",9,72.3476,7.59
"D_glucose","bmse000015",10,72.3041,12.25
"D_glucose","bmse000015",11,63.4496,11.55
"D_glucose","bmse000015",12,63.2877,6.43
"D_mannose","bmse000018",1,96.747,10.66
"D_mannose","bmse000018",2,96.3827,5.27
"D_mannose","bmse000018",3,78.8753,4.9
"D_mannose","bmse000018",4,75.7486,5.48
"D_mannose","bmse000018",5,75.1093,11.15
"D_mannose","bmse000018",6,73.9252,5.51
"D_mannose","bmse000018",7,73.3921,10.59
"D_mannose","bmse000018",8,72.9329,10.68
"D_mannose","bmse000018",9,69.5495,10.82
"D_mannose","bmse000018",10,69.3058,5.88
"D_mannose","bmse000018",11,63.666,12.5
"D_psicose","bmse000020",1,105.9793,2.62
"D_psicose","bmse000020",2,101.1482,2.31
"D_psicose","bmse000020",3,85.4184,12.5
"D_psicose","bmse000020",4,77.3405,2.67
"D_psicose","bmse000020",5,74.437,5.54
"D_psicose","bmse000020",6,73.7152,3.61
"D_psicose","bmse000020",7,73.0555,10.59
"D_psicose","bmse000020",8,73.0326,11.16
"D_psicose","bmse000020",9,72.9119,5.49
"D_psicose","bmse000020",10,71.7174,6.08
"D_psicose","bmse000020",11,68.562,7.08
"D_psicose","bmse000020",12,68.1859,7.9
"D_psicose","bmse000020",13,67.7838,6.98
"D_psicose","bmse000020",14,66.8844,6.45
"D_psicose","bmse000020",15,66.6778,4.36
"D_psicose","bmse000020",16,65.9583,9.93
"D_psicose","bmse000020",17,65.7568,6.2
"D_psicose","bmse000020",18,65.5148,3.26
"D_psicose","bmse000020",19,65.0727,3.8
"D_psicose","bmse000020",20,64.029,7.13
"D_psicose","bmse000020",21,60.6736,5.34
"D_sorbose","bmse000022",1,100.4423,2.8
"D_sorbose","bmse000022",2,76.5308,8.63
"D_sorbose","bmse000022",3,73.0506,8.72
"D_sorbose","bmse000022",4,72.1197,12.5
"D_sorbose","bmse000022",5,66.1492,9.88
"D_sorbose","bmse000022",6,64.4696,11
"D_tagatose","bmse000023",1,100.9098,3.49
"D_tagatose","bmse000023",2,73.6229,12.5
"D_tagatose","bmse000023",3,72.484,10.38
"D_tagatose","bmse000023",4,71.9743,2.2
"D_tagatose","bmse000023",5,69.0595,10.53
"D_tagatose","bmse000023",6,66.5918,10.06
"D_tagatose","bmse000023",7,66.403,1.92
"D_tagatose","bmse000023",8,66.1917,1.73
"D_tagatose","bmse000023",9,64.9495,7.98
"D_tagatose","bmse000023",10,62.8345,1.69
"D_xylose","bmse000026",1,99.3304,11.78
"D_xylose","bmse000026",2,94.9405,6.48
"D_xylose","bmse000026",3,78.526,10.11
"D_xylose","bmse000026",4,76.7418,12.5
"D_xylose","bmse000026",5,75.5229,5.77
"D_xylose","bmse000026",6,74.1661,6.42
"D_xylose","bmse000026",7,72.1118,6.54
"D_xylose","bmse000026",8,71.9378,12.28
"D_xylose","bmse000026",9,67.899,10.25
"D_xylose","bmse000026",10,63.6456,5.21
"alpha_ketoglutaric_acid","bmse000064",1,184.1528,2.07
"alpha_ketoglutaric_acid","bmse000064",2,38.5723,12.5
"alpha_ketoglutaric_acid","bmse000064",3,33.3219,9.83
"alpha_lactose","bmse000065",1,105.6382,8.25
"alpha_lactose","bmse000065",2,98.4725,7.33
"alpha_lactose","bmse000065",3,94.539,4.05
"alpha_lactose","bmse000065",4,81.1636,3.89
"alpha_lactose","bmse000065",5,81.0377,6.84
"alpha_lactose","bmse000065",6,78.0734,12.5
"alpha_lactose","bmse000065",7,77.522,7.34
"alpha_lactose","bmse000065",8,77.0808,7.32
"alpha_lactose","bmse000065",9,76.5296,7.28
"alpha_lactose","bmse000065",10,75.2407,11.24
"alpha_lactose","bmse000065",11,74.1286,4.28
"alpha_lactose","bmse000065",12,73.8715,4.75
"alpha_lactose","bmse000065",13,73.6835,9.31
"alpha_lactose","bmse000065",14,72.8271,3.84
"alpha_lactose","bmse000065",15,71.272,8.2
"alpha_lactose","bmse000065",16,63.7524,7.27
"alpha_lactose","bmse000065",17,62.8108,4.95
"alpha_lactose","bmse000065",18,62.6765,3.11
"4_aminobenzoic_acid","bmse000066",1,133.5667,12.5
"4_aminobenzoic_acid","bmse000066",2,128.9442,1.1
"4_aminobenzoic_acid","bmse000066",3,117.8119,11.36
"AMP","bmse000005",1,158.1415,3.52
"AMP","bmse000005",2,155.4083,9.41
"AMP","bmse000005",3,151.6344,4.45
"AMP","bmse000005",4,142.8031,7.78
"AMP","bmse000005",5,121.1486,2.72
"AMP","bmse000005",6,89.5563,11.53
"AMP","bmse000005",7,87.4594,6.04
"AMP","bmse000005",8,87.3722,6.06
"AMP","bmse000005",9,77.2299,12.5
"AMP","bmse000005",10,73.4036,12.24
"AMP","bmse000005",11,66.25,4.83
"AMP","bmse000005",12,66.2055,5.13
"anthranilic_acid","bmse000067",1,150.2702,2.1
"anthranilic_acid","bmse000067",2,134.7227,10.28
"anthranilic_acid","bmse000067",3,133.6538,12.5
"anthranilic_acid","bmse000067",4,123.4956,1.99
"anthranilic_acid","bmse000067",5,120.6937,11.1
"anthranilic_acid","bmse000067",6,120.3926,11.42
"L_arabitol","bmse000068",1,73.609,12.5
"L_arabitol","bmse000068",2,73.1399,11.93
"L_arabitol","bmse000068",3,72.9514,12.49
"L_arabitol","bmse000068",4,65.7296,10.81
"L_arabitol","bmse000068",5,65.6383,9.86
"ATP","bmse000006",1,158.2621,4.05
"ATP","bmse000006",2,155.4997,9.32
"ATP","bmse000006",3,151.7848,3.62
"ATP","bmse000006",4,142.6155,7.12
"ATP","bmse000006",5,121.2616,2.51
"ATP","bmse000006",6,89.3634,10.94
"ATP","bmse000006",7,86.7432,5.75
"ATP","bmse000006",8,86.6543,5.65
"ATP","bmse000006",9,76.9481,12.5
"ATP","bmse000006",10,72.9427,11.75
"ATP","bmse000006",11,67.8017,4.32
"ATP","bmse000006",12,67.7473,4.42
"betaine","bmse000069",1,171.9654,1.21
"betaine","bmse000069",2,68.893,3.07
"betaine","bmse000069",3,68.8587,3.29
"betaine","bmse000069",4,68.8297,3.27
"betaine","bmse000069",5,56.0898,10.14
"betaine","bmse000069",6,56.0509,12.5
"betaine","bmse000069",7,56.0118,10.21
"betaine_aldehyde","bmse000070",1,87.5694,9.74
"betaine_aldehyde","bmse000070",2,56.9587,10.45
"betaine_aldehyde","bmse000070",3,56.9195,12.5
"betaine_aldehyde","bmse000070",4,56.8886,11.17
"cadaverine","bmse000072",1,41.871,11.66
"cadaverine","bmse000072",2,28.9617,12.5
"cadaverine","bmse000072",3,25.3762,5.64
"cAMP","bmse000071",1,158.0318,4.3
"cAMP","bmse000071",2,155.524,10.63
"cAMP","bmse000071",3,150.7719,4.62
"cAMP","bmse000071",4,142.3466,9.68
"cAMP","bmse000071",5,121.2041,3.29
"cAMP","bmse000071",6,94.2109,12.5
"cAMP","bmse000071",7,80.0206,6.2
"cAMP","bmse000071",8,79.9754,6.98
"cAMP","bmse000071",9,75.0214,7.05
"cAMP","bmse000071",10,74.9418,7.25
"cAMP","bmse000071",11,74.463,6.46
"cAMP","bmse000071",12,70.0836,5.58
"cAMP","bmse000071",13,70.0142,5.05
"L_canavanine","bmse000073",1,177.0117,3.9
"L_canavanine","bmse000073",2,161.2671,2
"L_canavanine","bmse000073",3,74.5403,11.99
"L_canavanine","bmse000073",4,55.2855,12.02
"L_canavanine","bmse000073",5,31.809,12.5
"D_carnitine","bmse000074",1,180.7779,2.25
"D_carnitine","bmse000074",2,72.8193,4.47
"D_carnitine","bmse000074",3,72.7942,3.83
"D_carnitine","bmse000074",4,66.791,9.37
"D_carnitine","bmse000074",5,56.8328,10.48
"D_carnitine","bmse000074",6,56.7941,12.5
"D_carnitine","bmse000074",7,56.7554,10.44
"D_carnitine","bmse000074",8,45.6802,6.79
"chorismic_acid","bmse000075",1,155.9825,4.51
"chorismic_acid","bmse000075",2,137.1007,3.63
"chorismic_acid","bmse000075",3,132.6303,11.7
"chorismic_acid","bmse000075",4,131.7674,9.54
"chorismic_acid","bmse000075",5,126.7891,9.9
"chorismic_acid","bmse000075",6,95.5643,8.84
"chorismic_acid","bmse000075",7,82.3153,12.5
"chorismic_acid","bmse000075",8,72.8256,12.45
"citrate","bmse000076",1,184.7215,1.13
"citrate","bmse000076",2,182.0353,2.11
"citrate","bmse000076",3,77.9249,1.44
"citrate","bmse000076",4,48.4023,12.5
"coumarin","bmse000077",1,163.4646,0.72
"coumarin","bmse000077",2,156.7265,1.12
"coumarin","bmse000077",3,146.1206,6.54
"coumarin","bmse000077",4,134.5133,12.5
"coumarin","bmse000077",5,130.5441,8.87
"coumarin","bmse000077",6,127.1083,11.93
"coumarin","bmse000077",7,121.5098,1.08
"coumarin","bmse000077",8,119.5804,6.82
"coumarin","bmse000077",9,119.3784,7.14
"creatine","bmse000078",1,177.3494,1.87
"creatine","bmse000078",2,56.549,12.5
"creatine","bmse000078",3,39.6249,7.16
"creatine_phosphate","bmse000079",1,177.5977,1.69
"creatine_phosphate","bmse000079",2,56.5658,12.5
"creatine_phosphate","bmse000079",3,39.5149,7.02
"dehydro_proline","bmse000080",1,174.9837,1.15
"dehydro_proline","bmse000080",2,128.3998,11.9
"dehydro_proline","bmse000080",3,128.1163,10.28
"dehydro_proline","bmse000080",4,71.129,8.12
"dehydro_proline","bmse000080",5,55.1054,12.5
"D_3_phosphoglyceric_acid","bmse000007",1,181.5589,4.18
"D_3_phosphoglyceric_acid","bmse000007",2,75.6758,11.64
"D_3_phosphoglyceric_acid","bmse000007",3,75.5997,9.71
"D_3_phosphoglyceric_acid","bmse000007",4,69.5144,10.45
"D_3_phosphoglyceric_acid","bmse000007",5,69.4639,12.5
"D_fructose_1_6_bisphosphate","bmse000011",1,107.7441,1.24
"D_fructose_1_6_bisphosphate","bmse000011",2,107.6859,1.45
"D_fructose_1_6_bisphosphate","bmse000011",3,103.7998,2.79
"D_fructose_1_6_bisphosphate","bmse000011",4,103.7169,2.58
"D_fructose_1_6_bisphosphate","bmse000011",5,84.7524,1.84
"D_fructose_1_6_bisphosphate","bmse000011",6,84.6734,1.8
"D_fructose_1_6_bisphosphate","bmse000011",7,84.1618,3.88
"D_fructose_1_6_bisphosphate","bmse000011",8,82.4331,4.33
"D_fructose_1_6_bisphosphate","bmse000011",9,82.3517,4.54
"D_fructose_1_6_bisphosphate","bmse000011",10,79.436,3.58
"D_fructose_1_6_bisphosphate","bmse000011",11,78.4857,12.5
"D_fructose_1_6_bisphosphate","bmse000011",12,76.8309,8.44
"D_fructose_1_6_bisphosphate","bmse000011",13,68.3534,4.96
"D_fructose_1_6_bisphosphate","bmse000011",14,67.3714,1.78
"D_fructose_1_6_bisphosphate","bmse000011",15,67.0519,6.07
"D_fructose_1_6_bisphosphate","bmse000011",16,67.0078,5.96
"D_fructose_1_6_bisphosphate","bmse000011",17,66.9036,2.2
"D_fructose_1_6_bisphosphate","bmse000011",18,66.8591,2.2
"D_fructose_6_phosphate","bmse000012",1,107.1352,1.18
"D_fructose_6_phosphate","bmse000012",2,104.1799,5.96
"D_fructose_6_phosphate","bmse000012",3,84.4579,2.69
"D_fructose_6_phosphate","bmse000012",4,83.1582,1.38
"D_fructose_6_phosphate","bmse000012",5,83.081,1.12
"D_fructose_6_phosphate","bmse000012",6,82.6592,6.1
"D_fructose_6_phosphate","bmse000012",7,82.5783,5.8
"D_fructose_6_phosphate","bmse000012",8,78.536,2.85
"D_fructose_6_phosphate","bmse000012",9,77.8697,12.5
"D_fructose_6_phosphate","bmse000012",10,77.0604,11.73
"D_fructose_6_phosphate","bmse000012",11,67.0498,5.65
"D_fructose_6_phosphate","bmse000012",12,67.0041,5.36
"D_fructose_6_phosphate","bmse000012",13,66.1661,1.42
"D_fructose_6_phosphate","bmse000012",14,65.5593,2.38
"D_fructose_6_phosphate","bmse000012",15,65.331,9.82
"D_glucosamine","bmse000014",1,96.4205,8.72
"D_glucosamine","bmse000014",2,92.2506,9.77
"D_glucosamine","bmse000014",3,78.8513,9.64
"D_glucosamine","bmse000014",4,75.5831,6.35
"D_glucosamine","bmse000014",5,74.3295,12.27
"D_glucosamine","bmse000014",6,72.756,10.13
"D_glucosamine","bmse000014",7,72.4003,6.63
"D_glucosamine","bmse000014",8,72.3164,12.5
"D_glucosamine","bmse000014",9,63.2588,6.09
"D_glucosamine","bmse000014",10,63.0618,8.38
"D_glucosamine","bmse000014",11,59.6201,8.02
"D_glucosamine","bmse000014",12,57.0959,11.82
"D_glucose_6_phosphate","bmse000016",1,98.7788,8.55
"D_glucose_6_phosphate","bmse000016",2,94.9276,4.89
"D_glucose_6_phosphate","bmse000016",3,78.1764,4.82
"D_glucose_6_phosphate","bmse000016",4,78.106,3.56
"D_glucose_6_phosphate","bmse000016",5,77.9455,6.69
"D_glucose_6_phosphate","bmse000016",6,76.9831,9.41
"D_glucose_6_phosphate","bmse000016",7,75.0341,3.92
"D_glucose_6_phosphate","bmse000016",8,74.314,4.27
"D_glucose_6_phosphate","bmse000016",9,73.8171,2.12
"D_glucose_6_phosphate","bmse000016",10,73.7484,2.83
"D_glucose_6_phosphate","bmse000016",11,71.7635,12.5
"D_glucose_6_phosphate","bmse000016",12,65.5737,3.84
"D_glucose_6_phosphate","bmse000016",13,65.5308,3.24
"D_glucose_6_phosphate","bmse000016",14,65.4799,2.31
"D_maltose","bmse000017",1,102.3099,6.16
"D_maltose","bmse000017",2,102.2275,9.38
"D_maltose","bmse000017",3,98.4704,10.34
"D_maltose","bmse000017",4,94.5912,6.33
"D_maltose","bmse000017",5,79.5285,5.17
"D_maltose","bmse000017",6,79.3217,8.47
"D_maltose","bmse000017",7,78.9276,9.15
"D_maltose","bmse000017",8,77.2648,10.83
"D_maltose","bmse000017",9,76.7045,8.61
"D_maltose","bmse000017",10,75.9471,5.48
"D_maltose","bmse000017",11,75.5584,7.84
"D_maltose","bmse000017",12,75.5345,10.55
"D_maltose","bmse000017",13,75.3859,9.92
"D_maltose","bmse000017",14,74.4492,5.89
"D_maltose","bmse000017",15,74.3558,8.17
"D_maltose","bmse000017",16,73.9924,5.77
"D_maltose","bmse000017",17,72.6486,6.16
"D_maltose","bmse000017",18,72.0198,8.44
"D_maltose","bmse000017",19,63.4361,6.09
"D_maltose","bmse000017",20,63.2871,4.41
"D_maltose","bmse000017",21,63.1596,12.5
"D_ornithine","bmse000019",1,56.8208,12.5
"D_ornithine","bmse000019",2,41.5722,10.12
"D_ornithine","bmse000019",3,30.1825,12.11
"D_ornithine","bmse000019",4,25.4604,8.77
"D_threo_isocitric_acid","bmse000025",1,183.683,6.79
"D_threo_isocitric_acid","bmse000025",2,182.958,3.11
"D_threo_isocitric_acid","bmse000025",3,76.3916,11.16
"D_threo_isocitric_acid","bmse000025",4,51.8047,12.5
"D_threo_isocitric_acid","bmse000025",5,40.3285,10.98
"D_xylulose","bmse000027",1,108.4502,1.01
"D_xylulose","bmse000027",2,105.6511,3.08
"D_xylulose","bmse000027",3,83.18,3.1
"D_xylulose","bmse000027",4,78.9065,11.61
"D_xylulose","bmse000027",5,78.5426,3.96
"D_xylulose","bmse000027",6,78.011,2.93
"D_xylulose","bmse000027",7,77.5565,9.89
"D_xylulose","bmse000027",8,74.6749,2.45
"D_xylulose","bmse000027",9,74.6163,2.47
"D_xylulose","bmse000027",10,72.5201,10.76
"D_xylulose","bmse000027",11,68.7345,3.03
"D_xylulose","bmse000027",12,65.6799,12.5
"D_xylulose","bmse000027",13,65.1062,3.07
"D_xylulose","bmse000027",14,64.5556,3.06
"fumaric_acid","bmse000083",1,177.424,1.91
"fumaric_acid","bmse000083",2,138.042,12.5
"gluconic_acid","bmse000084",1,181.3386,1.89
"gluconic_acid","bmse000084",2,76.7743,10.33
"gluconic_acid","bmse000084",3,75.2613,9.8
"gluconic_acid","bmse000084",4,73.8705,12.36
"gluconic_acid","bmse000084",5,73.6525,10.2
"gluconic_acid","bmse000084",6,65.308,12.5
"alpha_D_glucose_1_phosphate","bmse000086",1,96.3867,5.99
"alpha_D_glucose_1_phosphate","bmse000086",2,96.3335,6.2
"alpha_D_glucose_1_phosphate","bmse000086",3,75.8391,10.34
"alpha_D_glucose_1_phosphate","bmse000086",4,74.9392,5.94
"alpha_D_glucose_1_phosphate","bmse000086",5,74.871,6.51
"alpha_D_glucose_1_phosphate","bmse000086",6,74.7037,12.5
"alpha_D_glucose_1_phosphate","bmse000086",7,72.4482,11.49
"alpha_D_glucose_1_phosphate","bmse000086",8,63.3999,9.58
"alpha_D_glucose_1_6_bisphosphate","bmse000087",1,96.6014,6.13
"alpha_D_glucose_1_6_bisphosphate","bmse000087",2,96.5465,7.96
"alpha_D_glucose_1_6_bisphosphate","bmse000087",3,75.3449,11.03
"alpha_D_glucose_1_6_bisphosphate","bmse000087",4,75.0612,6.57
"alpha_D_glucose_1_6_bisphosphate","bmse000087",5,74.9873,7.68
"alpha_D_glucose_1_6_bisphosphate","bmse000087",6,74.3802,6.65
"alpha_D_glucose_1_6_bisphosphate","bmse000087",7,74.317,7.4
"alpha_D_glucose_1_6_bisphosphate","bmse000087",8,71.5781,12.5
"alpha_D_glucose_1_6_bisphosphate","bmse000087",9,65.3993,4.84
"alpha_D_glucose_1_6_bisphosphate","bmse000087",10,65.3536,5.06
"glycine","bmse000089",1,175.1557,1.97
"glycine","bmse000089",2,44.1252,12.5
"guanine","bmse000090",1,170.3632,9.04
"guanine","bmse000090",2,163.6535,12.5
"guanine","bmse000090",3,161.8796,11.9
"guanine","bmse000090",4,120.9619,9.12
"guanosine","bmse000091",1,170.5025,1.71
"guanosine","bmse000091",2,163.3657,1.47
"guanosine","bmse000091",3,153.5645,2.67
"guanosine","bmse000091",4,139.3656,9.14
"guanosine","bmse000091",5,121.0084,1.46
"guanosine","bmse000091",6,90.841,11.95
"guanosine","bmse000091",7,88.5938,12.21
"guanosine","bmse000091",8,75.8197,12.21
"guanosine","bmse000091",9,73.7609,12.5
"guanosine","bmse000091",10,64.5009,9.96
"4_hydroxybenzoic_acid","bmse000092",1,161.2131,1.26
"4_hydroxybenzoic_acid","bmse000092",2,133.942,12.5
"4_hydroxybenzoic_acid","bmse000092",3,130.8287,1.62
"4_hydroxybenzoic_acid","bmse000092",4,117.592,10.22
"trans_3_hydroxycinnamic_acid","bmse000093",1,178.4192,2.27
"trans_3_hydroxycinnamic_acid","bmse000093",2,158.5422,3.6
"trans_3_hydroxycinnamic_acid","bmse000093",3,143.1901,8.95
"trans_3_hydroxycinnamic_acid","bmse000093",4,139.6042,3.48
"trans_3_hydroxycinnamic_acid","bmse000093",5,133.0298,11.46
"trans_3_hydroxycinnamic_acid","bmse000093",6,127.174,8.41
"trans_3_hydroxycinnamic_acid","bmse000093",7,122.9365,12.5
"trans_3_hydroxycinnamic_acid","bmse000093",8,119.3249,10.36
"trans_3_hydroxycinnamic_acid","bmse000093",9,116.6163,10.36
"hypoxanthine","bmse000094",1,164.9523,1.17
"hypoxanthine","bmse000094",2,159.7264,2.08
"hypoxanthine","bmse000094",3,150.37,10.69
"hypoxanthine","bmse000094",4,149.1756,12.5
"hypoxanthine","bmse000094",5,123.2364,1.06
"imidazole","bmse000096",1,137.7708,3.03
"imidazole","bmse000096",2,123.4233,12.5
"indole","bmse000097",1,138.3981,1.25
"indole","bmse000097",2,130.4755,1.24
"indole","bmse000097",3,126.7831,8.65
"indole","bmse000097",4,124.6229,12.5
"indole","bmse000097",5,123.3758,10.66
"indole","bmse000097",6,122.4493,10.48
"indole","bmse000097",7,113.6756,9.74
"indole","bmse000097",8,105.2378,11.58
"inosine","bmse000098",1,151.078,2.3
"inosine","bmse000098",2,148.9185,8.98
"inosine","bmse000098",3,142.8874,7.4
"inosine","bmse000098",4,126.8411,1.65
"inosine","bmse000098",5,91.1086,8.08
"inosine","bmse000098",6,88.2694,11.43
"inosine","bmse000098",7,76.7759,12.5
"inosine","bmse000098",8,73.0828,10.32
"inosine","bmse000098",9,64.0173,8.72
"i_erythritol","bmse000095",1,74.6148,12.5
"i_erythritol","bmse000095",2,65.3077,8.45
"L_alanine","bmse000028",1,178.5574,1.16
"L_alanine","bmse000028",2,53.2035,9.48
"L_alanine","bmse000028",3,18.8465,12.5
"L_arginine","bmse000029",1,177.2125,3.21
"L_arginine","bmse000029",2,57.0216,10.14
"L_arginine","bmse000029",3,43.2011,12.5
"L_arginine","bmse000029",4,30.2885,11.19
"L_arginine","bmse000029",5,26.5758,9.54
"L_asparagine","bmse000030",1,177.1771,1.47
"L_asparagine","bmse000030",2,176.209,1.94
"L_asparagine","bmse000030",3,53.9932,12.5
"L_asparagine","bmse000030",4,37.2983,11.26
"L_aspartic_acid","bmse000031",1,180.297,3.41
"L_aspartic_acid","bmse000031",2,176.9954,2.67
"L_aspartic_acid","bmse000031",3,54.9142,11.68
"L_aspartic_acid","bmse000031",4,39.2604,12.5
"L_citrulline","bmse000032",1,177.3878,3.15
"L_citrulline","bmse000032",2,164.2805,1.25
"L_citrulline","bmse000032",3,57.2048,11.84
"L_citrulline","bmse000032",4,41.9551,1.88
"L_citrulline","bmse000032",5,30.4444,12.5
"L_citrulline","bmse000032",6,27.6682,7.93
"L_cystathionine","bmse000033",1,56.4392,8
"L_cystathionine","bmse000033",2,56.2614,10.81
"L_cystathionine","bmse000033",3,34.8058,9.84
"L_cystathionine","bmse000033",4,32.8913,9.2
"L_cystathionine","bmse000033",5,29.7625,12.5
"L_cysteine","bmse000034",1,58.731,9.48
"L_cysteine","bmse000034",2,27.687,12.5
"L_cystine","bmse000035",1,183.331,3.03
"L_cystine","bmse000035",2,57.5783,12.5
"L_cystine","bmse000035",3,46.0281,10.99
"L_fucose","bmse000036",1,98.936,11.78
"L_fucose","bmse000036",2,94.9206,4.76
"L_fucose","bmse000036",3,75.6252,9.59
"L_fucose","bmse000036",4,74.6014,4.86
"L_fucose","bmse000036",5,74.3627,10.92
"L_fucose","bmse000036",6,74.1543,8.8
"L_fucose","bmse000036",7,73.586,9.85
"L_fucose","bmse000036",8,71.9701,4.6
"L_fucose","bmse000036",9,70.7832,3.67
"L_fucose","bmse000036",10,69.0314,4.4
"L_fucose","bmse000036",11,18.2232,12.5
"L_glutamic_acid","bmse000037",1,184.0438,2.16
"L_glutamic_acid","bmse000037",2,177.297,1.79
"L_glutamic_acid","bmse000037",3,57.3356,12.29
"L_glutamic_acid","bmse000037",4,36.1753,9.58
"L_glutamic_acid","bmse000037",5,29.6742,12.5
"L_glutamine","bmse000038",1,180.3694,1.86
"L_glutamine","bmse000038",2,176.8264,2.47
"L_glutamine","bmse000038",3,56.8326,9.96
"L_glutamine","bmse000038",4,33.528,10.99
"L_glutamine","bmse000038",5,28.9528,12.5
"L_histidine","bmse000039",1,176.6511,1.83
"L_histidine","bmse000039",2,138.9728,9.16
"L_histidine","bmse000039",3,134.6686,2.25
"L_histidine","bmse000039",4,119.5492,8.47
"L_histidine","bmse000039",5,57.4737,12.5
"L_histidine","bmse000039",6,30.7804,11.71
"L_homoserine","bmse000040",1,177.2374,1.7
"L_homoserine","bmse000040",2,61.3363,12.5
"L_homoserine","bmse000040",3,56.0719,8.39
"L_homoserine","bmse000040",4,34.8823,11.17
"L_isoleucine","bmse000041",1,176.9223,1.89
"L_isoleucine","bmse000041",2,62.2493,12.5
"L_isoleucine","bmse000041",3,38.5957,9.56
"L_isoleucine","bmse000041",4,27.1531,12.15
"L_isoleucine","bmse000041",5,17.3893,8.4
"L_isoleucine","bmse000041",6,13.8035,7.76
"L_leucine","bmse000042",1,178.3284,2.9
"L_leucine","bmse000042",2,56.1175,11.06
"L_leucine","bmse000042",3,42.5151,11.41
"L_leucine","bmse000042",4,26.8579,12.5
"L_leucine","bmse000042",5,24.7283,9.43
"L_leucine","bmse000042",6,23.5808,12.45
"L_lysine","bmse000043",1,177.4077,2.58
"L_lysine","bmse000043",2,57.1969,9.77
"L_lysine","bmse000043",3,41.7595,10.04
"L_lysine","bmse000043",4,32.6068,10.59
"L_lysine","bmse000043",5,29.1125,12.5
"L_lysine","bmse000043",6,24.1325,10.95
"malic_acid","bmse000046",1,183.7669,2.25
"malic_acid","bmse000046",2,182.5706,2
"malic_acid","bmse000046",3,73.0495,9.52
"malic_acid","bmse000046",4,45.3174,12.5
"L_methionine","bmse000044",1,177.0256,1.63
"L_methionine","bmse000044",2,56.5949,11.7
"L_methionine","bmse000044",3,32.3948,11.02
"L_methionine","bmse000044",4,31.5117,12.5
"L_methionine","bmse000044",5,16.6207,5.66
"L_phenylalanine","bmse000045",1,137.8245,2.32
"L_phenylalanine","bmse000045",2,132.08,12.5
"L_phenylalanine","bmse000045",3,131.8234,9.6
"L_phenylalanine","bmse000045",4,130.4017,5.37
"L_phenylalanine","bmse000045",5,58.7477,5.25
"L_phenylalanine","bmse000045",6,39.0993,5.55
"L_proline","bmse000047",1,177.4144,1.3
"L_proline","bmse000047",2,63.9229,11.05
"L_proline","bmse000047",3,48.7631,9.32
"L_proline","bmse000047",4,31.6863,12.5
"L_proline","bmse000047",5,26.4548,9.6
"L_serine","bmse000048",1,62.8928,12.5
"L_serine","bmse000048",2,59.0815,8.62
"L_threonine","bmse000049",1,175.6411,1.16
"L_threonine","bmse000049",2,68.6408,12.03
"L_threonine","bmse000049",3,63.1368,12.5
"L_threonine","bmse000049",4,22.1352,12.2
"L_tryptophan","bmse000050",1,177.255,2.71
"L_tryptophan","bmse000050",2,139.0401,1.59
"L_tryptophan","bmse000050",3,129.3512,1.89
"L_tryptophan","bmse000050",4,127.7463,10.84
"L_tryptophan","bmse000050",5,124.8346,12.27
"L_tryptophan","bmse000050",6,122.1638,12.5
"L_tryptophan","bmse000050",7,121.1566,12.38
"L_tryptophan","bmse000050",8,114.6587,10.23
"L_tryptophan","bmse000050",9,110.1782,4.04
"L_tryptophan","bmse000050",10,57.7537,11.28
"L_tryptophan","bmse000050",11,29.1016,11.57
"L_tyrosine","bmse000051",1,184.1279,1.35
"L_tyrosine","bmse000051",2,163.7886,1.13
"L_tyrosine","bmse000051",3,133.3998,10.61
"L_tyrosine","bmse000051",4,128.0459,2.21
"L_tyrosine","bmse000051",5,120.2955,12.5
"L_tyrosine","bmse000051",6,60.0412,5.12
"L_tyrosine","bmse000051",7,41.8233,4.45
"L_valine","bmse000052",1,63.0706,10.1
"L_valine","bmse000052",2,31.7958,11.73
"L_valine","bmse000052",3,20.6547,12.29
"L_valine","bmse000052",4,19.3267,12.5
"D_mannitol","bmse000099",1,73.4901,12.5
"D_mannitol","bmse000099",2,71.9258,8.62
"D_mannitol","bmse000099",3,65.9197,11.81
"meso_erythritol","bmse000100",1,74.6159,12.5
"meso_erythritol","bmse000100",2,65.309,8.37
"methyl_oxobutanoic_acid","bmse000101",1,39.7045,5.48
"methyl_oxobutanoic_acid","bmse000101",2,19.0607,12.5
"muco_inositol","bmse000102",1,75.0137,6.8
"muco_inositol","bmse000102",2,72.8728,12.5
"myo_inositol","bmse000103",1,77.0519,5.9
"myo_inositol","bmse000103",2,75.1054,12.5
"myo_inositol","bmse000103",3,74.8867,4.4
"myo_inositol","bmse000103",4,73.8316,10.8
"NAD","bmse000053",1,167.8653,3.69
"NAD","bmse000053",2,158.0181,4.21
"NAD","bmse000053",3,155.468,8.5
"NAD","bmse000053",4,151.5966,5.8
"NAD","bmse000053",5,148.4441,6.77
"NAD","bmse000053",6,145.0618,5.64
"NAD","bmse000053",7,142.6338,5.11
"NAD","bmse000053",8,142.3914,7.13
"NAD","bmse000053",9,136.3277,6.28
"NAD","bmse000053",10,131.3233,7.72
"NAD","bmse000053",11,121.0165,3.15
"NAD","bmse000053",12,102.7367,9.04
"NAD","bmse000053",13,89.7361,5.45
"NAD","bmse000053",14,89.6488,5.15
"NAD","bmse000053",15,89.3547,10.54
"NAD","bmse000053",16,86.5859,5.25
"NAD","bmse000053",17,86.4979,5.24
"NAD","bmse000053",18,80.3065,12.5
"NAD","bmse000053",19,76.6526,12.24
"NAD","bmse000053",20,73.2929,11.75
"NAD","bmse000053",21,73.0829,11.48
"NAD","bmse000053",22,68.1579,4.36
"NAD","bmse000053",23,68.1059,4.27
"NAD","bmse000053",24,67.6491,4.7
"NAD","bmse000053",25,67.5973,4.24
"NADH","bmse000054",1,175.3474,5.48
"NADH","bmse000054",2,158.1968,4.24
"NADH","bmse000054",3,155.4171,8.83
"NADH","bmse000054",4,151.5844,5.71
"NADH","bmse000054",5,142.3515,6.8
"NADH","bmse000054",6,141.1257,9.71
"NADH","bmse000054",7,126.4094,7.79
"NADH","bmse000054",8,121.2963,4.16
"NADH","bmse000054",9,108.0387,9.52
"NADH","bmse000054",10,102.5371,7.01
"NADH","bmse000054",11,97.7448,9.22
"NADH","bmse000054",12,89.7936,11.06
"NADH","bmse000054",13,86.3582,5.51
"NADH","bmse000054",14,85.0981,5.6
"NADH","bmse000054",15,77.2518,12.23
"NADH","bmse000054",16,73.4643,12.14
"NADH","bmse000054",17,73.2824,12.5
"NADH","bmse000054",18,72.9239,9.04
"NADH","bmse000054",19,68.6321,4.65
"NADH","bmse000054",20,67.8556,4.52
"NADH","bmse000054",21,24.5551,8.23
"NADH","bmse000054",22,19.5029,3.45
"NADPH","bmse000055",1,175.4549,3.91
"NADPH","bmse000055",2,158.2562,4.4
"NADPH","bmse000055",3,155.3726,8.4
"NADPH","bmse000055",4,151.6612,4.78
"NADPH","bmse000055",5,142.7666,6.52
"NADPH","bmse000055",6,141.0746,8.37
"NADPH","bmse000055",7,126.4637,8.6
"NADPH","bmse000055",8,108.0154,8.41
"NADPH","bmse000055",9,102.5834,6.37
"NADPH","bmse000055",10,97.6847,9.4
"NADPH","bmse000055",11,89.5671,4.71
"NADPH","bmse000055",12,89.4832,4.7
"NADPH","bmse000055",13,85.6232,4.52
"NADPH","bmse000055",14,85.136,4.45
"NADPH","bmse000055",15,79.2632,4.94
"NADPH","bmse000055",16,73.4756,12.5
"NADPH","bmse000055",17,73.324,11.5
"NADPH","bmse000055",18,72.7309,8.21
"NADPH","bmse000055",19,68.5416,4.39
"NADPH","bmse000055",20,67.9571,5.25
"NADPH","bmse000055",21,24.6213,6.74
"niacin","bmse000104",1,176.0593,0.88
"niacin","bmse000104",2,153.1473,12.5
"niacin","bmse000104",3,151.7346,9.43
"niacin","bmse000104",4,140.3918,11.16
"niacin","bmse000104",5,135.0395,2.37
"niacin","bmse000104",6,126.6461,10.94
"nicotine","bmse000105",1,152.9553,11.86
"nicotine","bmse000105",2,151.8079,8.39
"nicotine","bmse000105",3,139.9786,11.24
"nicotine","bmse000105",4,132.2848,2.82
"nicotine","bmse000105",5,127.6138,11.08
"nicotine","bmse000105",6,72.3903,8.23
"nicotine","bmse000105",7,58.7754,9.8
"nicotine","bmse000105",8,40.9138,11.41
"nicotine","bmse000105",9,33.0757,8.96
"nicotine","bmse000105",10,24.2203,12.5
"N_acetylneuraminic_acid","bmse000057",1,179.4931,2.99
"N_acetylneuraminic_acid","bmse000057",2,177.4691,5.36
"N_acetylneuraminic_acid","bmse000057",3,99.1066,6.81
"N_acetylneuraminic_acid","bmse000057",4,73.0136,10.35
"N_acetylneuraminic_acid","bmse000057",5,72.9084,11.02
"N_acetylneuraminic_acid","bmse000057",6,71.2583,9.48
"N_acetylneuraminic_acid","bmse000057",7,70.0063,10.08
"N_acetylneuraminic_acid","bmse000057",8,66.0063,10.13
"N_acetylneuraminic_acid","bmse000057",9,54.9693,12.5
"N_acetylneuraminic_acid","bmse000057",10,42.0905,8.84
"N_acetylneuraminic_acid","bmse000057",11,24.8195,11.34
"N_acetyl_D_mannosamine","bmse000056",1,178.4248,1.93
"N_acetyl_D_mannosamine","bmse000056",2,177.4968,2.6
"N_acetyl_D_mannosamine","bmse000056",3,95.8209,8.31
"N_acetyl_D_mannosamine","bmse000056",4,95.688,9.13
"N_acetyl_D_mannosamine","bmse000056",5,79.0399,10.23
"N_acetyl_D_mannosamine","bmse000056",6,74.7525,9.08
"N_acetyl_D_mannosamine","bmse000056",7,74.6939,8.91
"N_acetyl_D_mannosamine","bmse000056",8,71.5593,11.26
"N_acetyl_D_mannosamine","bmse000056",9,69.4618,11.11
"N_acetyl_D_mannosamine","bmse000056",10,69.1894,8.23
"N_acetyl_D_mannosamine","bmse000056",11,63.0714,12.5
"N_acetyl_D_mannosamine","bmse000056",12,56.7834,6.76
"N_acetyl_D_mannosamine","bmse000056",13,55.9143,11.74
"N_acetyl_D_mannosamine","bmse000056",14,24.7467,6.42
"N_acetyl_D_mannosamine","bmse000056",15,24.6103,7.83
"oxalate","bmse000106",1,176.1386,12.5
"O_succinyl_L_homoserine","bmse000058",1,183.8863,2.56
"O_succinyl_L_homoserine","bmse000058",2,178.3647,2.14
"O_succinyl_L_homoserine","bmse000058",3,176.7702,2.64
"O_succinyl_L_homoserine","bmse000058",4,64.4599,9.53
"O_succinyl_L_homoserine","bmse000058",5,55.5165,8.79
"O_succinyl_L_homoserine","bmse000058",6,35.6935,1.47
"O_succinyl_L_homoserine","bmse000058",7,34.6435,11.39
"O_succinyl_L_homoserine","bmse000058",8,33.1998,12.5
"O_succinyl_L_homoserine","bmse000058",9,32.0477,7.9
"phosphoenolpyruvic_acid","bmse000107",1,152.4983,4.37
"phosphoenolpyruvic_acid","bmse000107",2,152.4267,2.42
"phosphoenolpyruvic_acid","bmse000107",3,102.8677,10.91
"phosphoenolpyruvic_acid","bmse000107",4,102.8401,12.5
"prephenic_acid","bmse000108",1,134.012,12.19
"prephenic_acid","bmse000108",2,130.3553,12.5
"prephenic_acid","bmse000108",3,64.0727,7.77
"prephenic_acid","bmse000108",4,51.2462,2.5
"prephenic_acid","bmse000108",5,50.6545,5.86
"putrescine","bmse000109",1,41.551,11.73
"putrescine","bmse000109",2,26.5984,12.5
"pyridoxal","bmse000110",1,161.5671,1.78
"pyridoxal","bmse000110",2,148.0785,2.3
"pyridoxal","bmse000110",3,140.9568,3.28
"pyridoxal","bmse000110",4,139.5279,4.52
"pyridoxal","bmse000110",5,120.0727,6.07
"pyridoxal","bmse000110",6,102.0212,10.48
"pyridoxal","bmse000110",7,72.5072,12.5
"pyridoxal","bmse000110",8,17.5108,7.09
"pyridoxal_5_phosphate","bmse000111",1,198.7901,4.06
"pyridoxal_5_phosphate","bmse000111",2,154.2739,7.56
"pyridoxal_5_phosphate","bmse000111",3,139.0553,2.73
"pyridoxal_5_phosphate","bmse000111",4,138.9802,2.7
"pyridoxal_5_phosphate","bmse000111",5,128.8539,3.48
"pyridoxal_5_phosphate","bmse000111",6,126.7748,3.24
"pyridoxal_5_phosphate","bmse000111",7,91.4524,2.95
"pyridoxal_5_phosphate","bmse000111",8,64.4322,9.86
"pyridoxal_5_phosphate","bmse000111",9,64.3954,7.79
"pyridoxal_5_phosphate","bmse000111",10,18.7125,12.5
"pyridoxal_5_phosphate","bmse000111",11,17.3618,2.26
"pyridoxamine","bmse000130",1,165.5851,1.63
"pyridoxamine","bmse000130",2,148.1236,2.38
"pyridoxamine","bmse000130",3,138.2661,5.06
"pyridoxamine","bmse000130",4,134.7636,2.63
"pyridoxamine","bmse000130",5,126.6506,8.52
"pyridoxamine","bmse000130",6,61.8257,9.73
"pyridoxamine","bmse000130",7,39.2287,12.5
"pyridoxamine","bmse000130",8,18.1093,10.27
"pyridoxamine_5_phosphate","bmse000131",1,165.6996,3.42
"pyridoxamine_5_phosphate","bmse000131",2,147.3396,4.49
"pyridoxamine_5_phosphate","bmse000131",3,137.5932,4.37
"pyridoxamine_5_phosphate","bmse000131",4,137.5201,3.66
"pyridoxamine_5_phosphate","bmse000131",5,135.8735,6.9
"pyridoxamine_5_phosphate","bmse000131",6,125.9833,8.38
"pyridoxamine_5_phosphate","bmse000131",7,64.3374,8.14
"pyridoxamine_5_phosphate","bmse000131",8,64.2962,7.45
"pyridoxamine_5_phosphate","bmse000131",9,38.955,12.5
"pyridoxamine_5_phosphate","bmse000131",10,17.7372,11.91
"scyllo_inositol","bmse000113",1,76.2821,12.5
"shikimic_acid","bmse000114",1,178.0757,1.84
"shikimic_acid","bmse000114",2,138.7121,3.69
"shikimic_acid","bmse000114",3,133.2065,8.63
"shikimic_acid","bmse000114",4,74.7462,8.91
"shikimic_acid","bmse000114",5,69.5201,11.73
"shikimic_acid","bmse000114",6,68.9871,12.5
"shikimic_acid","bmse000114",7,35.3685,8.86
"D_sorbitol","bmse000115",1,75.6364,11.8
"D_sorbitol","bmse000115",2,73.7844,11.91
"D_sorbitol","bmse000115",3,73.6628,11.46
"D_sorbitol","bmse000115",4,72.3478,12.5
"D_sorbitol","bmse000115",5,65.5074,7.86
"D_sorbitol","bmse000115",6,65.1126,9.65
"spermidine","bmse000116",1,49.7685,12.5
"spermidine","bmse000116",2,47.255,9.6
"spermidine","bmse000116",3,41.5152,10.94
"spermidine","bmse000116",4,39.2998,10.61
"spermidine","bmse000116",5,26.64,10.09
"spermidine","bmse000116",6,26.5227,9.51
"spermidine","bmse000116",7,25.4882,11.59
"spermine","bmse000117",1,50.4642,10.16
"spermine","bmse000117",2,48.3361,12.5
"spermine","bmse000117",3,40.6981,12.1
"spermine","bmse000117",4,30.823,7.1
"spermine","bmse000117",5,27.6835,10.97
"succinic_acid","bmse000118",1,185.1648,1.78
"succinic_acid","bmse000118",2,36.8897,12.5
"sucrose","bmse000119",1,106.3887,6.15
"sucrose","bmse000119",2,94.8829,11.39
"sucrose","bmse000119",3,84.0666,11.94
"sucrose","bmse000119",4,79.0967,11.54
"sucrose","bmse000119",5,76.6892,12.13
"sucrose","bmse000119",6,75.2562,11.56
"sucrose","bmse000119",7,75.107,12.4
"sucrose","bmse000119",8,73.7694,11.94
"sucrose","bmse000119",9,71.9114,12.5
"sucrose","bmse000119",10,65.0741,11.11
"sucrose","bmse000119",11,64.0305,10.38
"sucrose","bmse000119",12,62.8059,9.96
"S_adenosyl_L_methionine","bmse000059",1,177.2049,1.06
"S_adenosyl_L_methionine","bmse000059",2,175.5374,3.57
"S_adenosyl_L_methionine","bmse000059",3,158.2573,4.07
"S_adenosyl_L_methionine","bmse000059",4,158.1473,1.23
"S_adenosyl_L_methionine","bmse000059",5,155.5574,8.68
"S_adenosyl_L_methionine","bmse000059",6,155.4871,3.71
"S_adenosyl_L_methionine","bmse000059",7,154.9459,1.28
"S_adenosyl_L_methionine","bmse000059",8,151.4918,1.4
"S_adenosyl_L_methionine","bmse000059",9,151.3094,4.84
"S_adenosyl_L_methionine","bmse000059",10,143.3489,7.53
"S_adenosyl_L_methionine","bmse000059",11,142.6447,2.96
"S_adenosyl_L_methionine","bmse000059",12,121.7408,3.05
"S_adenosyl_L_methionine","bmse000059",13,91.8,12.5
"S_adenosyl_L_methionine","bmse000059",14,90.1262,1.08
"S_adenosyl_L_methionine","bmse000059",15,90.0407,3.67
"S_adenosyl_L_methionine","bmse000059",16,85.9474,3.7
"S_adenosyl_L_methionine","bmse000059",17,81.4782,2.83
"S_adenosyl_L_methionine","bmse000059",18,80.8642,9.06
"S_adenosyl_L_methionine","bmse000059",19,76.1774,4.19
"S_adenosyl_L_methionine","bmse000059",20,75.6933,3.46
"S_adenosyl_L_methionine","bmse000059",21,75.4417,10.55
"S_adenosyl_L_methionine","bmse000059",22,75.2896,11.21
"S_adenosyl_L_methionine","bmse000059",23,75.2102,3.9
"S_adenosyl_L_methionine","bmse000059",24,75.0576,4.66
"S_adenosyl_L_methionine","bmse000059",25,61.3914,4.52
"S_adenosyl_L_methionine","bmse000059",26,60.181,3.6
"S_adenosyl_L_methionine","bmse000059",27,56.1328,4.11
"S_adenosyl_L_methionine","bmse000059",28,55.5398,11.64
"S_adenosyl_L_methionine","bmse000059",29,55.4732,3.85
"S_adenosyl_L_methionine","bmse000059",30,51.6245,1.02
"S_adenosyl_L_methionine","bmse000059",31,47.0027,7.3
"S_adenosyl_L_methionine","bmse000059",32,41.6503,2.53
"S_adenosyl_L_methionine","bmse000059",33,41.5608,8
"S_adenosyl_L_methionine","bmse000059",34,39.296,1.04
"S_adenosyl_L_methionine","bmse000059",35,38.5747,3.27
"S_adenosyl_L_methionine","bmse000059",36,34.9032,4.07
"S_adenosyl_L_methionine","bmse000059",37,28.138,8.12
"S_adenosyl_L_methionine","bmse000059",38,27.9802,2.58
"S_adenosyl_L_methionine","bmse000059",39,26.5384,1.05
"S_adenosyl_L_methionine","bmse000059",40,26.4688,3.89
"S_adenosyl_L_methionine","bmse000059",41,26.1398,11.37
"S_adenosyl_L_methionine","bmse000059",42,19.5416,3.82
"S_adenosyl_L_methionine","bmse000059",43,18.0425,2.93
"taurine","bmse000120",1,50.2124,12.5
"taurine","bmse000120",2,38.0682,11.7
"L_threitol","bmse000121",1,74.3047,12.5
"L_threitol","bmse000121",2,65.3263,12.42
"trans_4_hydroxy_L_proline","bmse000123",1,177.0263,1.29
"trans_4_hydroxy_L_proline","bmse000123",2,72.7686,12.34
"trans_4_hydroxy_L_proline","bmse000123",3,62.5265,8.41
"trans_4_hydroxy_L_proline","bmse000123",4,55.643,12.5
"trans_4_hydroxy_L_proline","bmse000123",5,40.1298,9.82
"trans_cinnamic_acid","bmse000124",1,143.5556,4.31
"trans_cinnamic_acid","bmse000124",2,137.8775,1.34
"trans_cinnamic_acid","bmse000124",3,132.3324,6.15
"trans_cinnamic_acid","bmse000124",4,131.6902,9.94
"trans_cinnamic_acid","bmse000124",5,130.4135,12.5
"trans_cinnamic_acid","bmse000124",6,126.8267,3.92
"D_trehalose","bmse000125",1,95.9171,12.5
"D_trehalose","bmse000125",2,75.2081,11.88
"D_trehalose","bmse000125",3,74.8491,10.1
"D_trehalose","bmse000125",4,73.7422,9.97
"D_trehalose","bmse000125",5,72.3894,11.58
"D_trehalose","bmse000125",6,63.2132,8.55
"uric_acid","bmse000126",1,167.6653,6.04
"uric_acid","bmse000126",2,165.3393,12.5
"uric_acid","bmse000126",3,162.2146,6.72
"uric_acid","bmse000126",4,156.4958,8.87
"uric_acid","bmse000126",5,104.5779,6.55
"xanthine","bmse000127",1,163.3303,1.9
"xanthine","bmse000127",2,161.9958,1.23
"xanthine","bmse000127",3,158.0123,1.54
"xanthine","bmse000127",4,142.7225,12.5
"xanthine","bmse000127",5,116.2503,1.15
"xanthosine","bmse000128",1,163.7475,1.41
"xanthosine","bmse000128",2,162.2764,1.3
"xanthosine","bmse000128",3,155.8547,2.56
"xanthosine","bmse000128",4,140.0607,9.27
"xanthosine","bmse000128",5,118.2068,1.28
"xanthosine","bmse000128",6,90.6608,11.73
"xanthosine","bmse000128",7,88.5324,12.41
"xanthosine","bmse000128",8,75.9737,12.5
"xanthosine","bmse000128",9,73.5577,11.03
"xanthosine","bmse000128",10,64.3556,8.81
"xylitol","bmse000129",1,74.6275,11.33
"xylitol","bmse000129",2,73.4743,6.7
"xylitol","bmse000129",3,65.3143,12.5
"tyramine","bmse000243",1,157.2984,1.41
"tyramine","bmse000243",2,132.9956,12.5
"tyramine","bmse000243",3,131.1649,2.03
"tyramine","bmse000243",4,118.5125,12.18
"tyramine","bmse000243",5,43.4518,5.34
"tyramine","bmse000243",6,34.6329,6.06
"L_carnosine","bmse000246",1,180.2008,3.84
"L_carnosine","bmse000246",2,174.3323,4.86
"L_carnosine","bmse000246",3,137.5197,9.53
"L_carnosine","bmse000246",4,134.6631,4.69
"L_carnosine","bmse000246",5,119.8491,10.48
"L_carnosine","bmse000246",6,57.5784,11.65
"L_carnosine","bmse000246",7,38.3703,11.44
"L_carnosine","bmse000246",8,34.7671,12.5
"L_carnosine","bmse000246",9,30.9947,9.98
"glycolate","bmse000245",1,182.6562,5.25
"glycolate","bmse000245",2,63.9098,12.5
"1_3_dimethylurea","bmse000248",1,29.1399,12.5
"D_glucosamine","bmse000247",1,96.7337,8.51
"D_glucosamine","bmse000247",2,92.4167,12.41
"D_glucosamine","bmse000247",3,78.843,9.89
"D_glucosamine","bmse000247",4,75.8685,8.3
"D_glucosamine","bmse000247",5,74.3489,12.5
"D_glucosamine","bmse000247",6,72.9419,11.22
"D_glucosamine","bmse000247",7,72.4037,9.8
"D_glucosamine","bmse000247",8,72.3301,12.04
"D_glucosamine","bmse000247",9,63.2894,7.62
"D_glucosamine","bmse000247",10,63.0782,11.08
"D_glucosamine","bmse000247",11,59.6847,8.44
"D_glucosamine","bmse000247",12,57.1428,11.73
"isethionic_acid","bmse000242",1,59.6397,12.02
"isethionic_acid","bmse000242",2,55.5295,12.5
"N_N_dimethylglycine","bmse000241",1,62.5717,6.55
"N_N_dimethylglycine","bmse000241",2,46.2286,12.5
"dihydroxyacetone","bmse000144",1,214.7833,3.78
"dihydroxyacetone","bmse000144",2,97.773,1.6
"dihydroxyacetone","bmse000144",3,66.2429,12.5
"N_acetyl_L_glutamine","bmse000145",1,181.3622,2.37
"N_acetyl_L_glutamine","bmse000145",2,181.1277,3.44
"N_acetyl_L_glutamine","bmse000145",3,176.3862,3.32
"N_acetyl_L_glutamine","bmse000145",4,57.3658,12.5
"N_acetyl_L_glutamine","bmse000145",5,34.4405,9.75
"N_acetyl_L_glutamine","bmse000145",6,30.4549,10.18
"N_acetyl_L_glutamine","bmse000145",7,24.6247,9.17
"ADA","bmse000146",1,180.0279,1.66
"ADA","bmse000146",2,60.0622,12.5
"ADA","bmse000146",3,59.955,1.44
"4_aminoantipyrine","bmse000147",1,144.7673,1.72
"4_aminoantipyrine","bmse000147",2,135.763,1.74
"4_aminoantipyrine","bmse000147",3,132.3952,12.5
"4_aminoantipyrine","bmse000147",4,131.8174,5.85
"4_aminoantipyrine","bmse000147",5,129.3212,12.35
"4_aminoantipyrine","bmse000147",6,37.2322,4.81
"4_aminoantipyrine","bmse000147",7,11.7408,4.42
"acetylcarnitine","bmse000142",1,179.354,4.03
"acetylcarnitine","bmse000142",2,175.4615,4.06
"acetylcarnitine","bmse000142",3,70.835,4.53
"acetylcarnitine","bmse000142",4,69.5734,12.5
"acetylcarnitine","bmse000142",5,56.5103,12.2
"acetylcarnitine","bmse000142",6,42.9071,9.73
"acetylcarnitine","bmse000142",7,23.3168,9.11
"5_acetylamido_2_chloroaniline","bmse000143",1,139.2064,3.06
"5_acetylamido_2_chloroaniline","bmse000143",2,132.3826,12.5
"5_acetylamido_2_chloroaniline","bmse000143",3,116.2078,11.5
"5_acetylamido_2_chloroaniline","bmse000143",4,112.9825,11.85
"5_acetylamido_2_chloroaniline","bmse000143",5,25.522,8.76
"uracil","bmse000187",1,170.2202,1.35
"uracil","bmse000187",2,146.2032,10.52
"uracil","bmse000187",3,103.7407,12.5
"cytidine","bmse000190",1,168.8862,2.92
"cytidine","bmse000190",2,160.3399,2.39
"cytidine","bmse000190",3,144.3268,8.93
"cytidine","bmse000190",4,98.9421,9.02
"cytidine","bmse000190",5,92.9764,11.59
"cytidine","bmse000190",6,86.4726,11.93
"cytidine","bmse000190",7,76.6665,12.26
"cytidine","bmse000190",8,71.9801,12.5
"cytidine","bmse000190",9,63.4255,9.89
"propionic_acid","bmse000179",1,187.7472,2.27
"propionic_acid","bmse000179",2,33.4143,12.5
"propionic_acid","bmse000179",3,12.8911,11.53
"cytosine","bmse000180",1,170.1095,1.09
"cytosine","bmse000180",2,145.8461,10.28
"cytosine","bmse000180",3,97.8181,12.5
"3_hydroxybutyrate","bmse000161",1,183.1934,2.18
"3_hydroxybutyrate","bmse000161",2,68.3994,9.53
"3_hydroxybutyrate","bmse000161",3,49.2195,12.5
"3_hydroxybutyrate","bmse000161",4,24.4317,11.28
"sarcosine","bmse000160",1,174.1787,1.69
"sarcosine","bmse000160",2,53.5151,12.5
"sarcosine","bmse000160",3,35.3495,10.56
"beta_alanine","bmse000159",1,181.1398,1.61
"beta_alanine","bmse000159",2,39.2339,9.51
"beta_alanine","bmse000159",3,36.2855,12.5
"uridine","bmse000158",1,169.0394,2.54
"uridine","bmse000158",2,154.4569,2.08
"uridine","bmse000158",3,144.529,8.58
"uridine","bmse000158",4,104.9743,9.81
"uridine","bmse000158",5,92.0363,11.1
"uridine","bmse000158",6,86.9005,11.88
"uridine","bmse000158",7,76.3651,11.81
"uridine","bmse000158",8,72.0985,12.5
"uridine","bmse000158",9,63.4211,9.74
"N_acetyl_L_alanine","bmse000157",1,183.142,2.18
"N_acetyl_L_alanine","bmse000157",2,176.0277,2.41
"N_acetyl_L_alanine","bmse000157",3,53.6895,12.5
"N_acetyl_L_alanine","bmse000157",4,24.5618,8.98
"N_acetyl_L_alanine","bmse000157",5,20.0042,11.11
"trimethyl_phosphonoacetate","bmse000156",1,56.6257,8.02
"trimethyl_phosphonoacetate","bmse000156",2,56.5607,8.02
"trimethyl_phosphonoacetate","bmse000156",3,55.9903,12.5
"creatinine","bmse000155",1,191.713,2.26
"creatinine","bmse000155",2,59.1239,12.5
"creatinine","bmse000155",3,58.8527,2.53
"creatinine","bmse000155",4,58.6295,1.96
"creatinine","bmse000155",5,32.9001,9.73
"4_2_aminoethyl_morpholine","bmse000154",1,68.8872,12.21
"4_2_aminoethyl_morpholine","bmse000154",2,56.9694,6.45
"4_2_aminoethyl_morpholine","bmse000154",3,55.1945,12.5
"4_2_aminoethyl_morpholine","bmse000154",4,38.3707,5.31
"L_methionine_methylsulfonium_iodide","bmse000153",1,176.1278,2.46
"L_methionine_methylsulfonium_iodide","bmse000153",2,55.6328,12.37
"L_methionine_methylsulfonium_iodide","bmse000153",3,42.2714,10.53
"L_methionine_methylsulfonium_iodide","bmse000153",4,28.1127,10.06
"L_methionine_methylsulfonium_iodide","bmse000153",5,27.4753,11.87
"L_methionine_methylsulfonium_iodide","bmse000153",6,27.4428,12.5
"trigonelline","bmse000152",1,170.5429,1.63
"trigonelline","bmse000152",2,148.7294,3.53
"trigonelline","bmse000152",3,148.5432,3.12
"trigonelline","bmse000152",4,147.4509,9.81
"trigonelline","bmse000152",5,139.591,3.58
"trigonelline","bmse000152",6,130.3808,12.5
"trigonelline","bmse000152",7,50.9868,3.8
"L_kynurenine","bmse000172",1,202.7838,4.18
"L_kynurenine","bmse000172",2,176.9655,3.82
"L_kynurenine","bmse000172",3,153.0281,3.8
"L_kynurenine","bmse000172",4,138.3201,10.63
"L_kynurenine","bmse000172",5,134.0077,10.47
"L_kynurenine","bmse000172",6,120.7487,12.5
"L_kynurenine","bmse000172",7,120.1347,3.19
"L_kynurenine","bmse000172",8,119.5469,11.71
"L_kynurenine","bmse000172",9,53.4373,9.6
"L_kynurenine","bmse000172",10,53.3893,1.75
"L_kynurenine","bmse000172",11,41.6724,9.4
"4_hydroxyphenethyl_alcohol","bmse000173",1,156.5231,1.3
"4_hydroxyphenethyl_alcohol","bmse000173",2,133.6531,2.03
"4_hydroxyphenethyl_alcohol","bmse000173",3,133.0108,12.05
"4_hydroxyphenethyl_alcohol","bmse000173",4,118.0973,12.5
"4_hydroxyphenethyl_alcohol","bmse000173",5,65.4628,5.4
"4_hydroxyphenethyl_alcohol","bmse000173",6,39.6054,5.27
"L_glutathione_oxidized","bmse000170",1,179.0431,5.08
"L_glutathione_oxidized","bmse000170",2,177.7295,7.27
"L_glutathione_oxidized","bmse000170",3,176.8436,5.71
"L_glutathione_oxidized","bmse000170",4,174.576,7.14
"L_glutathione_oxidized","bmse000170",5,56.7983,12.5
"L_glutathione_oxidized","bmse000170",6,55.2962,6.93
"L_glutathione_oxidized","bmse000170",7,46.1769,10
"L_glutathione_oxidized","bmse000170",8,41.3939,5.3
"L_glutathione_oxidized","bmse000170",9,34.0976,8.71
"L_glutathione_oxidized","bmse000170",10,28.9834,9.22
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",1,137.9087,2.24
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",2,137.8673,2.37
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",3,131.376,12.5
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",4,131.3613,12.49
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",5,130.699,5.71
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",6,130.6797,5.71
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",7,130.3647,10.88
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",8,130.3201,11.19
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",9,58.3213,5.52
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",10,57.0571,5.41
"2_amino_5_ethyl_1_3_4_thiadiazole","bmse000176",1,168.4472,1.23
"2_amino_5_ethyl_1_3_4_thiadiazole","bmse000176",2,25.8692,12.5
"2_amino_5_ethyl_1_3_4_thiadiazole","bmse000176",3,15.8228,11.49
"indole_3_acetic_acid","bmse000177",1,184.4014,2.14
"indole_3_acetic_acid","bmse000177",2,138.8639,1.78
"indole_3_acetic_acid","bmse000177",3,129.8341,1.84
"indole_3_acetic_acid","bmse000177",4,126.7302,9.37
"indole_3_acetic_acid","bmse000177",5,124.4124,12.5
"indole_3_acetic_acid","bmse000177",6,121.7961,11.6
"indole_3_acetic_acid","bmse000177",7,121.3961,11.96
"indole_3_acetic_acid","bmse000177",8,114.4077,11.75
"indole_3_acetic_acid","bmse000177",9,113.0393,2.26
"indole_3_acetic_acid","bmse000177",10,36.6627,11.8
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",1,177.1121,2.86
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",2,175.8429,2.97
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",3,146.1205,4.91
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",4,142.1751,2.25
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",5,140.3992,5.19
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",6,135.1671,1.17
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",7,128.5755,12.5
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",8,122.2003,7.85
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",9,120.5307,8.5
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",10,26.0734,7.9
"inosine_5_monophosphate","bmse000175",1,161.425,3.75
"inosine_5_monophosphate","bmse000175",2,151.4802,4.81
"inosine_5_monophosphate","bmse000175",3,149.0993,9.26
"inosine_5_monophosphate","bmse000175",4,142.6513,8.28
"inosine_5_monophosphate","bmse000175",5,126.224,3.55
"inosine_5_monophosphate","bmse000175",6,90.0513,11.57
"inosine_5_monophosphate","bmse000175",7,87.5897,6.17
"inosine_5_monophosphate","bmse000175",8,87.5029,6.25
"inosine_5_monophosphate","bmse000175",9,77.4723,12.43
"inosine_5_monophosphate","bmse000175",10,73.3415,12.5
"inosine_5_monophosphate","bmse000175",11,66.1817,4.69
"inosine_5_monophosphate","bmse000175",12,66.1371,4.9
"acetylcholine","bmse000168",1,175.9351,1.7
"acetylcholine","bmse000168",2,67.2352,3.17
"acetylcholine","bmse000168",3,67.2022,3.69
"acetylcholine","bmse000168",4,67.1693,3.21
"acetylcholine","bmse000168",5,61.0489,9.91
"acetylcholine","bmse000168",6,56.5037,10.75
"acetylcholine","bmse000168",7,56.4653,12.5
"acetylcholine","bmse000168",8,56.4269,11.09
"acetylcholine","bmse000168",9,22.907,5.01
"L_selenomethionine","bmse000169",1,177.0007,2.6
"L_selenomethionine","bmse000169",2,57.4374,11.47
"L_selenomethionine","bmse000169",3,33.6291,11.68
"L_selenomethionine","bmse000169",4,21.9577,12.5
"L_selenomethionine","bmse000169",5,5.9908,6.84
"L_carnitine","bmse000211",1,180.7932,2.55
"L_carnitine","bmse000211",2,72.8484,3.55
"L_carnitine","bmse000211",3,72.8194,4.35
"L_carnitine","bmse000211",4,72.7905,3.77
"L_carnitine","bmse000211",5,66.787,9.83
"L_carnitine","bmse000211",6,56.8352,10.16
"L_carnitine","bmse000211",7,56.7971,12.5
"L_carnitine","bmse000211",8,56.7587,10.72
"L_carnitine","bmse000211",9,45.6836,6.68
"2_deoxyguanosine_5_triphosphate","bmse000210",1,161.5994,4.1
"2_deoxyguanosine_5_triphosphate","bmse000210",2,156.5483,6.62
"2_deoxyguanosine_5_triphosphate","bmse000210",3,153.9201,3.76
"2_deoxyguanosine_5_triphosphate","bmse000210",4,140.177,4.97
"2_deoxyguanosine_5_triphosphate","bmse000210",5,118.7094,3.56
"2_deoxyguanosine_5_triphosphate","bmse000210",6,88.3356,4.95
"2_deoxyguanosine_5_triphosphate","bmse000210",7,88.2497,5.03
"2_deoxyguanosine_5_triphosphate","bmse000210",8,86.1217,10.42
"2_deoxyguanosine_5_triphosphate","bmse000210",9,85.9663,1.24
"2_deoxyguanosine_5_triphosphate","bmse000210",10,73.5912,12.5
"2_deoxyguanosine_5_triphosphate","bmse000210",11,73.4257,1.36
"2_deoxyguanosine_5_triphosphate","bmse000210",12,68.0836,4.3
"2_deoxyguanosine_5_triphosphate","bmse000210",13,68.0298,4.01
"2_deoxyguanosine_5_triphosphate","bmse000210",14,60.1564,2.92
"2_deoxyguanosine_5_triphosphate","bmse000210",15,41.4696,9.7
"2_deoxyguanosine_5_triphosphate","bmse000210",16,19.5226,3.19
"L_glutathione_reduced","bmse000185",1,179.0844,3.34
"L_glutathione_reduced","bmse000185",2,177.7381,6.24
"L_glutathione_reduced","bmse000185",3,176.8762,4.09
"L_glutathione_reduced","bmse000185",4,174.517,4.49
"L_glutathione_reduced","bmse000185",5,58.485,9.28
"L_glutathione_reduced","bmse000185",6,56.8252,12.5
"L_glutathione_reduced","bmse000185",7,46.0594,11.98
"L_glutathione_reduced","bmse000185",8,34.0617,10.25
"L_glutathione_reduced","bmse000185",9,28.9279,10.05
"L_glutathione_reduced","bmse000185",10,28.2991,8.79
"L-ascorbate","bmse000182",1,180.3168,1.43
"L-ascorbate","bmse000182",2,178.4832,2.74
"L-ascorbate","bmse000182",3,115.802,1.21
"L-ascorbate","bmse000182",4,81.1004,12.5
"L-ascorbate","bmse000182",5,72.2534,11.82
"L-ascorbate","bmse000182",6,65.2522,10.99
"glycerol","bmse000184",1,74.7687,5.34
"glycerol","bmse000184",2,65.1855,12.5
"succinic_acid","bmse000183",1,185.1723,12.5
"diethyl_oxalacetate","bmse000148",1,175.4103,2.81
"diethyl_oxalacetate","bmse000148",2,174.3091,2.64
"diethyl_oxalacetate","bmse000148",3,173.4326,3.11
"diethyl_oxalacetate","bmse000148",4,168.1048,3.57
"diethyl_oxalacetate","bmse000148",5,163.0751,2.84
"diethyl_oxalacetate","bmse000148",6,107.9727,2.93
"diethyl_oxalacetate","bmse000148",7,66.4032,12.5
"diethyl_oxalacetate","bmse000148",8,64.8073,11.65
"diethyl_oxalacetate","bmse000148",9,63.2252,12.35
"diethyl_oxalacetate","bmse000148",10,60.1425,6.53
"diethyl_oxalacetate","bmse000148",11,19.5054,7.69
"diethyl_oxalacetate","bmse000148",12,16.4349,10.31
"diethyl_oxalacetate","bmse000148",13,16.0264,10.85
"diethyl_oxalacetate","bmse000148",14,15.8307,11.05
"diethyl_oxalacetate","bmse000148",15,8.3719,1.46
"methyl_4_aminobutyrate","bmse000249",1,178.332,2.3
"methyl_4_aminobutyrate","bmse000249",2,55.0318,9.91
"methyl_4_aminobutyrate","bmse000249",3,41.3931,9.31
"methyl_4_aminobutyrate","bmse000249",4,33.2371,12.5
"methyl_4_aminobutyrate","bmse000249",5,24.7364,10.01
"acetic_acid","bmse000191",1,25.9921,12.5
"DL_alpha_glycerol_phosphate","bmse000193",1,74.017,6.6
"DL_alpha_glycerol_phosphate","bmse000193",2,73.9509,6.61
"DL_alpha_glycerol_phosphate","bmse000193",3,67.5764,6.42
"DL_alpha_glycerol_phosphate","bmse000193",4,67.5279,6.33
"DL_alpha_glycerol_phosphate","bmse000193",5,64.9909,12.5
"L_arginine_L_glutamate","bmse000194",1,184.0271,2.62
"L_arginine_L_glutamate","bmse000194",2,177.3004,2.69
"L_arginine_L_glutamate","bmse000194",3,177.2486,3.51
"L_arginine_L_glutamate","bmse000194",4,159.5217,1.58
"L_arginine_L_glutamate","bmse000194",5,57.3276,11.34
"L_arginine_L_glutamate","bmse000194",6,56.9877,12.33
"L_arginine_L_glutamate","bmse000194",7,43.187,10.69
"L_arginine_L_glutamate","bmse000194",8,36.1773,12.5
"L_arginine_L_glutamate","bmse000194",9,30.2821,11.31
"L_arginine_L_glutamate","bmse000194",10,29.6813,11.66
"L_arginine_L_glutamate","bmse000194",11,26.565,9.36
"N_alpha_acetyl_DL_ornithine","bmse000195",1,181.278,2.84
"N_alpha_acetyl_DL_ornithine","bmse000195",2,176.3942,3.3
"N_alpha_acetyl_DL_ornithine","bmse000195",3,57.2647,12.5
"N_alpha_acetyl_DL_ornithine","bmse000195",4,41.7026,11.36
"N_alpha_acetyl_DL_ornithine","bmse000195",5,31.2562,11.58
"N_alpha_acetyl_DL_ornithine","bmse000195",6,26.1175,10.85
"N_alpha_acetyl_DL_ornithine","bmse000195",7,24.6039,9.43
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",1,177.1802,4.22
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",2,100.7816,12.14
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",3,74.3693,12.5
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",4,73.8173,11.87
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",5,72.6604,11.86
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",6,63.2442,9.78
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",7,57.84,10.7
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",8,56.3295,11.36
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",9,24.5939,9.03
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",1,177.4262,6.89
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",2,95.5064,6.59
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",3,95.4519,6.61
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",4,74.8112,12.48
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",5,74.1248,11.53
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",6,72.717,12.5
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",7,63.3991,10.48
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",8,60.1385,1.19
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",9,56.8941,6.31
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",10,56.82,5.92
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",11,24.8547,11.82
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",12,19.5064,1.35
"6_phosphogluconic_acid","bmse000198",1,181.6058,3.57
"6_phosphogluconic_acid","bmse000198",2,76.871,10.24
"6_phosphogluconic_acid","bmse000198",3,74.5728,12.34
"6_phosphogluconic_acid","bmse000198",4,73.5923,12.5
"6_phosphogluconic_acid","bmse000198",5,73.3427,6.13
"6_phosphogluconic_acid","bmse000198",6,73.2817,6
"6_phosphogluconic_acid","bmse000198",7,67.8378,5.3
"6_phosphogluconic_acid","bmse000198",8,67.7897,5.02
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",1,177.4856,7.09
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",2,169.018,6.26
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",3,154.5678,4.71
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",4,144.3458,8.41
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",5,105.3664,9.76
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",6,97.2217,5.52
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",7,97.1586,5.3
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",8,91.2324,10.4
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",9,85.9265,5.45
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",10,85.8356,5.37
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",11,76.5038,12.5
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",12,75.7265,10.47
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",13,73.618,9.4
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",14,72.3363,12.03
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",15,72.1894,10.68
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",16,67.7104,4.06
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",17,67.6547,4.21
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",18,63.011,8.29
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",19,56.4123,4.85
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",20,56.3279,4.86
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",21,24.8017,11.06
"D_glucosamine_6_phosphate","bmse000189",1,96.7641,3.96
"D_glucosamine_6_phosphate","bmse000189",2,92.5468,9.11
"D_glucosamine_6_phosphate","bmse000189",3,78.573,7.72
"D_glucosamine_6_phosphate","bmse000189",4,78.5029,8.09
"D_glucosamine_6_phosphate","bmse000189",5,75.3,3.82
"D_glucosamine_6_phosphate","bmse000189",6,74.241,8.9
"D_glucosamine_6_phosphate","bmse000189",7,74.1735,8.79
"D_glucosamine_6_phosphate","bmse000189",8,72.61,7.6
"D_glucosamine_6_phosphate","bmse000189",9,72.216,8.01
"D_glucosamine_6_phosphate","bmse000189",10,72.0861,11.81
"D_glucosamine_6_phosphate","bmse000189",11,65.6945,5.67
"D_glucosamine_6_phosphate","bmse000189",12,65.5318,8.2
"D_glucosamine_6_phosphate","bmse000189",13,59.9922,8.37
"D_glucosamine_6_phosphate","bmse000189",14,57.442,12.5
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",1,177.6459,3.99
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",2,177.3558,6.21
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",3,97.9785,9.64
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",4,93.8355,12.5
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",5,78.3788,4.55
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",6,78.3082,5
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",7,76.3335,8.77
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",8,74.1312,5.77
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",9,74.0636,5.71
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",10,73.273,9.62
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",11,72.5985,6.43
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",12,72.4066,4.3
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",13,65.8183,6.34
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",14,59.7314,6.92
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",15,57.09,11.32
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",16,25.09,7.17
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",17,24.8284,8.82
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",18,24.6366,2.13
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",19,8.3826,2.3
"formate","bmse000203",1,173.8915,12.5
"HEPES","bmse000202",1,60.8048,5.44
"HEPES","bmse000202",2,58.5772,7.51
"HEPES","bmse000202",3,54.5149,8.11
"HEPES","bmse000202",4,54.0844,12.5
"HEPES","bmse000202",5,52.383,11.07
"HEPES","bmse000202",6,50.0053,7.83
"D_citrulline","bmse000209",1,177.3935,5.6
"D_citrulline","bmse000209",2,164.2858,1.35
"D_citrulline","bmse000209",3,57.1942,10.87
"D_citrulline","bmse000209",4,41.9172,1.9
"D_citrulline","bmse000209",5,30.442,12.5
"D_citrulline","bmse000209",6,27.6603,6.22
"tryptamine","bmse000207",1,139.1467,1.96
"tryptamine","bmse000207",2,129.1548,2.05
"tryptamine","bmse000207",3,127.0515,9.42
"tryptamine","bmse000207",4,124.8771,12.23
"tryptamine","bmse000207",5,122.1292,11.7
"tryptamine","bmse000207",6,121.0332,11.62
"tryptamine","bmse000207",7,114.7782,11.66
"tryptamine","bmse000207",8,111.7871,2.5
"tryptamine","bmse000207",9,42.4461,10.28
"tryptamine","bmse000207",10,25.3872,12.5
"caffeine","bmse000206",1,158.3677,2.3
"caffeine","bmse000206",2,154.8444,2.1
"caffeine","bmse000206",3,150.6943,2.53
"caffeine","bmse000206",4,146.1726,12.5
"caffeine","bmse000206",5,109.992,1.93
"caffeine","bmse000206",6,36.1671,12
"caffeine","bmse000206",7,32.5176,11.72
"caffeine","bmse000206",8,30.6092,12.15
"DL_serine","bmse000222",1,175.1858,1.49
"DL_serine","bmse000222",2,62.8818,12.5
"DL_serine","bmse000222",3,59.0696,9.18
"kanamycin","bmse000201",1,103.0882,11.25
"kanamycin","bmse000201",2,99.3708,11.19
"kanamycin","bmse000201",3,87.4547,11.03
"kanamycin","bmse000201",4,82.3518,10.12
"kanamycin","bmse000201",5,76.1335,11.05
"kanamycin","bmse000201",6,75.2746,11.27
"kanamycin","bmse000201",7,74.8051,11.96
"kanamycin","bmse000201",8,73.8216,11.92
"kanamycin","bmse000201",9,73.7132,12.5
"kanamycin","bmse000201",10,71.3274,11.8
"kanamycin","bmse000201",11,71.2135,10.89
"kanamycin","bmse000201",12,68.4669,11.25
"kanamycin","bmse000201",13,62.5738,8.79
"kanamycin","bmse000201",14,57.6876,10.31
"kanamycin","bmse000201",15,52.8142,10.87
"kanamycin","bmse000201",16,50.8624,10.67
"kanamycin","bmse000201",17,43.1772,9.79
"kanamycin","bmse000201",18,32.4006,6.43
"D_galacturonic_acid","bmse000216",1,178.7328,1.92
"D_galacturonic_acid","bmse000216",2,177.8683,2.95
"D_galacturonic_acid","bmse000216",3,103.6266,1.14
"D_galacturonic_acid","bmse000216",4,98.6973,11.64
"D_galacturonic_acid","bmse000216",5,94.8821,8.1
"D_galacturonic_acid","bmse000216",6,86.1096,1.16
"D_galacturonic_acid","bmse000216",7,83.8927,1.25
"D_galacturonic_acid","bmse000216",8,78.2191,12.5
"D_galacturonic_acid","bmse000216",9,75.5921,12.15
"D_galacturonic_acid","bmse000216",10,74.2733,11.54
"D_galacturonic_acid","bmse000216",11,74.0687,8.3
"D_galacturonic_acid","bmse000216",12,73.5175,7.92
"D_galacturonic_acid","bmse000216",13,73.4128,1.2
"D_galacturonic_acid","bmse000216",14,73.0403,11.9
"D_galacturonic_acid","bmse000216",15,72.0425,8.11
"D_galacturonic_acid","bmse000216",16,70.7295,8.19
"melibiose","bmse000215",1,100.9074,4.94
"melibiose","bmse000215",2,100.8624,8.18
"melibiose","bmse000215",3,98.7735,7.77
"melibiose","bmse000215",4,94.8936,4.8
"melibiose","bmse000215",5,78.5818,7.92
"melibiose","bmse000215",6,77.0481,7.86
"melibiose","bmse000215",7,76.7432,7.91
"melibiose","bmse000215",8,75.641,4.51
"melibiose","bmse000215",9,74.115,4.66
"melibiose","bmse000215",10,73.6521,8.63
"melibiose","bmse000215",11,72.7897,4.38
"melibiose","bmse000215",12,72.2675,4.58
"melibiose","bmse000215",13,72.1681,11.13
"melibiose","bmse000215",14,72.1168,8.41
"melibiose","bmse000215",15,71.8969,12.5
"melibiose","bmse000215",16,71.1809,5.01
"melibiose","bmse000215",17,71.1499,8
"melibiose","bmse000215",18,68.5997,3.4
"melibiose","bmse000215",19,68.5048,5.74
"melibiose","bmse000215",20,63.7993,7.48
"raffinose","bmse000221",1,106.4984,12
"raffinose","bmse000221",2,101.1619,11.75
"raffinose","bmse000221",3,94.8107,10.5
"raffinose","bmse000221",4,84.0386,10.37
"raffinose","bmse000221",5,78.9908,10.66
"raffinose","bmse000221",6,76.6708,10.74
"raffinose","bmse000221",7,75.3481,10.62
"raffinose","bmse000221",8,74.0893,10.03
"raffinose","bmse000221",9,73.7298,10.76
"raffinose","bmse000221",10,73.6491,10.76
"raffinose","bmse000221",11,72.1375,11.45
"raffinose","bmse000221",12,72.0811,10.61
"raffinose","bmse000221",13,71.8977,12.5
"raffinose","bmse000221",14,71.1782,10.63
"raffinose","bmse000221",15,68.5609,7.4
"raffinose","bmse000221",16,65.174,9.27
"raffinose","bmse000221",17,64.0591,8.59
"raffinose","bmse000221",18,63.8064,10.78
"phenylacetic_acid","bmse000220",1,140.0132,1.48
"phenylacetic_acid","bmse000220",2,131.8678,12.4
"phenylacetic_acid","bmse000220",3,131.3739,12.5
"phenylacetic_acid","bmse000220",4,129.1624,7.27
"phenylacetic_acid","bmse000220",5,47.1763,7.68
"quinolinic_acid","bmse000219",1,151.0633,4.64
"quinolinic_acid","bmse000219",2,139.9295,12.5
"quinolinic_acid","bmse000219",3,134.2225,1.66
"quinolinic_acid","bmse000219",4,126.3609,1.43
"L_arabinose","bmse000213",1,99.4707,11.84
"L_arabinose","bmse000213",2,95.2773,6.36
"L_arabinose","bmse000213",3,85.6557,1.01
"L_arabinose","bmse000213",4,75.1558,12.46
"L_arabinose","bmse000213",5,74.5445,11.65
"L_arabinose","bmse000213",6,71.3975,5.23
"L_arabinose","bmse000213",7,71.291,6.33
"L_arabinose","bmse000213",8,71.19,12.5
"L_arabinose","bmse000213",9,71.1316,6.46
"L_arabinose","bmse000213",10,69.092,10.76
"L_arabinose","bmse000213",11,65.1629,5.63
"L_arabinose","bmse000213",12,63.7809,1.01
"maleic_acid","bmse000212",1,178.0156,12.5
"maleic_acid","bmse000212",2,138.0455,2.52
"trimethylamine","bmse000224",1,47.3627,12.5
"FAD","bmse000226",1,164.0687,6.03
"FAD","bmse000226",2,160.4644,6.44
"FAD","bmse000226",3,157.4008,5.27
"FAD","bmse000226",4,155.0401,6.79
"FAD","bmse000226",5,153.2024,6.31
"FAD","bmse000226",6,152.7018,4.88
"FAD","bmse000226",7,150.7506,8.42
"FAD","bmse000226",8,141.8033,9.25
"FAD","bmse000226",9,137.3022,7.38
"FAD","bmse000226",10,136.7199,6.9
"FAD","bmse000226",11,134.1126,5.24
"FAD","bmse000226",12,133.1145,6.31
"FAD","bmse000226",13,120.4006,4.97
"FAD","bmse000226",14,119.1392,5.98
"FAD","bmse000226",15,89.8286,8.42
"FAD","bmse000226",16,86.1706,4.9
"FAD","bmse000226",17,77.5902,9.53
"FAD","bmse000226",18,75.1902,7.63
"FAD","bmse000226",19,73.8874,4.74
"FAD","bmse000226",20,72.6742,9.77
"FAD","bmse000226",21,72.0204,7.14
"FAD","bmse000226",22,49.8304,4.6
"FAD","bmse000226",23,23.4503,12.23
"FAD","bmse000226",24,21.3064,12.5
"biotin","bmse000227",1,186.5202,3.08
"biotin","bmse000227",2,168.1155,1.31
"biotin","bmse000227",3,64.7083,11.47
"biotin","bmse000227",4,62.9655,10.94
"biotin","bmse000227",5,58.0656,12.5
"biotin","bmse000227",6,42.4481,10.02
"biotin","bmse000227",7,40.0331,11.31
"biotin","bmse000227",8,30.9897,10.73
"biotin","bmse000227",9,30.4007,10.87
"biotin","bmse000227",10,28.3888,11.03
"L_malic_acid","bmse000238",1,183.7653,2.22
"L_malic_acid","bmse000238",2,182.5621,2.11
"L_malic_acid","bmse000238",3,73.0565,11
"L_malic_acid","bmse000238",4,45.325,12.5
"DL_pipecolic_acid","bmse000237",1,177.3687,2.02
"DL_pipecolic_acid","bmse000237",2,61.7014,10.46
"DL_pipecolic_acid","bmse000237",3,46.3684,11.14
"DL_pipecolic_acid","bmse000237",4,29.2254,12.03
"DL_pipecolic_acid","bmse000237",5,24.5183,12.5
"DL_pipecolic_acid","bmse000237",6,24.2597,11.72
"alpha_naphthoic_acid","bmse000178",1,180.9525,1.22
"alpha_naphthoic_acid","bmse000178",2,140.3164,2.38
"alpha_naphthoic_acid","bmse000178",3,136.0023,3.43
"alpha_naphthoic_acid","bmse000178",4,131.8378,2.83
"alpha_naphthoic_acid","bmse000178",5,131.5775,11.93
"alpha_naphthoic_acid","bmse000178",6,130.9661,12.32
"alpha_naphthoic_acid","bmse000178",7,129.4469,11.78
"alpha_naphthoic_acid","bmse000178",8,128.9278,12.24
"alpha_naphthoic_acid","bmse000178",9,128.3008,11.2
"alpha_naphthoic_acid","bmse000178",10,128.1263,11.47
"alpha_naphthoic_acid","bmse000178",11,126.9179,12.5
"L_lactic_acid","bmse000208",1,185.2568,1.47
"L_lactic_acid","bmse000208",2,71.1986,10.31
"L_lactic_acid","bmse000208",3,22.7605,12.5
"thymidine","bmse000244",1,169.2606,1.96
"thymidine","bmse000244",2,154.4362,2.17
"thymidine","bmse000244",3,140.2111,10.41
"thymidine","bmse000244",4,114.1556,4.85
"thymidine","bmse000244",5,89.1962,12.5
"thymidine","bmse000244",6,87.7135,11.37
"thymidine","bmse000244",7,73.1301,12.1
"thymidine","bmse000244",8,63.8632,10.49
"thymidine","bmse000244",9,41.1957,10.46
"thymidine","bmse000244",10,14.2614,10.1
"citraconic_acid","bmse000199",1,182.5855,1.19
"citraconic_acid","bmse000199",2,177.0006,1.62
"citraconic_acid","bmse000199",3,150.7235,3.14
"citraconic_acid","bmse000199",4,122.9987,12.5
"citraconic_acid","bmse000199",5,23.083,10.26
"homogentisic_acid","bmse000200",1,183.4495,2.25
"homogentisic_acid","bmse000200",2,151.5798,3.49
"homogentisic_acid","bmse000200",3,150.3577,2.71
"homogentisic_acid","bmse000200",4,128.3103,4.07
"homogentisic_acid","bmse000200",5,120.3611,12.12
"homogentisic_acid","bmse000200",6,119.7948,12.5
"homogentisic_acid","bmse000200",7,117.1989,12.11
"homogentisic_acid","bmse000200",8,42.6626,11.69
"isonicotinic_acid","bmse000133",1,152.265,11.27
"isonicotinic_acid","bmse000133",2,143.3482,1.49
"isonicotinic_acid","bmse000133",3,124.3227,12.5
"homovanillic_acid","bmse000132",1,184.0342,2.31
"homovanillic_acid","bmse000132",2,149.9125,2.75
"homovanillic_acid","bmse000132",3,145.8277,2.64
"homovanillic_acid","bmse000132",4,132.7556,4.92
"homovanillic_acid","bmse000132",5,124.6363,12.01
"homovanillic_acid","bmse000132",6,118.1634,12.5
"homovanillic_acid","bmse000132",7,116.1596,11.86
"homovanillic_acid","bmse000132",8,58.5972,11.89
"homovanillic_acid","bmse000132",9,46.5865,11.75
"cyanuric_acid","bmse000135",1,158.7585,12.5
"ethacrynic_acid","bmse000134",1,202.3118,4.43
"ethacrynic_acid","bmse000134",2,177.9826,5
"ethacrynic_acid","bmse000134",3,158.7271,7.04
"ethacrynic_acid","bmse000134",4,152.4416,9.11
"ethacrynic_acid","bmse000134",5,134.6377,7.45
"ethacrynic_acid","bmse000134",6,134.3055,7.14
"ethacrynic_acid","bmse000134",7,133.1034,4.2
"ethacrynic_acid","bmse000134",8,130.6445,11.98
"ethacrynic_acid","bmse000134",9,124.6188,3.16
"ethacrynic_acid","bmse000134",10,113.5528,12.1
"ethacrynic_acid","bmse000134",11,70.3721,12.5
"ethacrynic_acid","bmse000134",12,25.8093,12.14
"ethacrynic_acid","bmse000134",13,14.5372,10.57
"itaconic_acid","bmse000137",1,183.4319,1.66
"itaconic_acid","bmse000137",2,144.4598,3.08
"itaconic_acid","bmse000137",3,124.7498,11.94
"itaconic_acid","bmse000137",4,44.7199,12.5
"amygdalin","bmse000139",1,135.1591,3.04
"amygdalin","bmse000139",2,133.2211,4.82
"amygdalin","bmse000139",3,132.0805,12.5
"amygdalin","bmse000139",4,130.5071,12.26
"amygdalin","bmse000139",5,121.2539,2.79
"amygdalin","bmse000139",6,105.5549,5
"amygdalin","bmse000139",7,104.1485,4.67
"amygdalin","bmse000139",8,78.6035,5.33
"amygdalin","bmse000139",9,78.2945,5.19
"amygdalin","bmse000139",10,78.182,4.9
"amygdalin","bmse000139",11,78.0819,4.95
"amygdalin","bmse000139",12,75.9,5.09
"amygdalin","bmse000139",13,75.4567,4.78
"amygdalin","bmse000139",14,72.369,5.36
"amygdalin","bmse000139",15,71.8621,4.67
"amygdalin","bmse000139",16,71.7644,5.77
"amygdalin","bmse000139",17,70.9831,3.34
"amygdalin","bmse000139",18,63.4233,3.79
"D_cellobiose","bmse000138",1,105.2663,8.21
"D_cellobiose","bmse000138",2,105.2381,5.61
"D_cellobiose","bmse000138",3,98.4528,7.32
"D_cellobiose","bmse000138",4,94.5197,4.61
"D_cellobiose","bmse000138",5,81.4215,4.68
"D_cellobiose","bmse000138",6,81.2838,7.67
"D_cellobiose","bmse000138",7,78.6932,12.12
"D_cellobiose","bmse000138",8,78.1874,12.5
"D_cellobiose","bmse000138",9,77.5013,7.76
"D_cellobiose","bmse000138",10,76.9856,7.78
"D_cellobiose","bmse000138",11,76.5907,7.38
"D_cellobiose","bmse000138",12,75.8703,9.08
"D_cellobiose","bmse000138",13,74.0348,4.8
"D_cellobiose","bmse000138",14,73.925,5.13
"D_cellobiose","bmse000138",15,72.8163,4.72
"D_cellobiose","bmse000138",16,72.1615,6.12
"D_cellobiose","bmse000138",17,72.1439,8.59
"D_cellobiose","bmse000138",18,63.2643,6.56
"D_cellobiose","bmse000138",19,62.74,5.36
"D_cellobiose","bmse000138",20,62.606,3.56
"gamma_D_galactonolactone","bmse000141",1,178.7234,2.86
"gamma_D_galactonolactone","bmse000141",2,82.7298,12.5
"gamma_D_galactonolactone","bmse000141",3,76.4007,12.48
"gamma_D_galactonolactone","bmse000141",4,75.5187,12.19
"gamma_D_galactonolactone","bmse000141",5,74.2346,3.63
"gamma_D_galactonolactone","bmse000141",6,74.0161,3.26
"gamma_D_galactonolactone","bmse000141",7,72.7812,3.45
"gamma_D_galactonolactone","bmse000141",8,72.4324,3.36
"gamma_D_galactonolactone","bmse000141",9,71.5773,12.34
"gamma_D_galactonolactone","bmse000141",10,66.0277,3.07
"gamma_D_galactonolactone","bmse000141",11,64.6899,11.19
"D_glucuronate","bmse000140",1,179.6525,1.52
"D_glucuronate","bmse000140",2,178.6724,2.78
"D_glucuronate","bmse000140",3,98.5755,11.73
"D_glucuronate","bmse000140",4,94.8123,7.69
"D_glucuronate","bmse000140",5,78.959,12.5
"D_glucuronate","bmse000140",6,78.2467,11.99
"D_glucuronate","bmse000140",7,76.6906,11.59
"D_glucuronate","bmse000140",8,75.2591,7.37
"D_glucuronate","bmse000140",9,74.8051,6.93
"D_glucuronate","bmse000140",10,74.5748,8
"D_glucuronate","bmse000140",11,74.5431,12.46
"D_glucuronate","bmse000140",12,73.9985,7.55
"L_gulonolactone","bmse000235",1,180.7006,2.42
"L_gulonolactone","bmse000235",2,84.0626,11.74
"L_gulonolactone","bmse000235",3,76.1965,2.96
"L_gulonolactone","bmse000235",4,75.331,3.02
"L_gulonolactone","bmse000235",5,74.9955,3.01
"L_gulonolactone","bmse000235",6,73.5223,12.5
"L_gulonolactone","bmse000235",7,73.1631,3.21
"L_gulonolactone","bmse000235",8,72.7983,12.19
"L_gulonolactone","bmse000235",9,72.2798,12.42
"L_gulonolactone","bmse000235",10,65.2205,2.74
"L_gulonolactone","bmse000235",11,64.1843,11.09
"glycogen","bmse000232",1,102.5103,8.96
"glycogen","bmse000232",2,79.5505,5.53
"glycogen","bmse000232",3,75.5834,9.32
"glycogen","bmse000232",4,74.2061,12.5
"glycogen","bmse000232",5,72.0454,4.53
"glycogen","bmse000232",6,63.2055,9.29
"melibiose","bmse000233",1,100.9084,5.19
"melibiose","bmse000233",2,100.8632,7.98
"melibiose","bmse000233",3,98.7735,7.66
"melibiose","bmse000233",4,94.8931,4.76
"melibiose","bmse000233",5,78.5818,7.97
"melibiose","bmse000233",6,77.0484,7.73
"melibiose","bmse000233",7,76.7428,7.76
"melibiose","bmse000233",8,75.6402,4.58
"melibiose","bmse000233",9,74.1149,4.63
"melibiose","bmse000233",10,73.6528,8.49
"melibiose","bmse000233",11,72.7893,4.29
"melibiose","bmse000233",12,72.267,4.52
"melibiose","bmse000233",13,72.1674,11.07
"melibiose","bmse000233",14,72.1167,8.55
"melibiose","bmse000233",15,71.8963,12.5
"melibiose","bmse000233",16,71.1803,5.19
"melibiose","bmse000233",17,71.1491,7.83
"melibiose","bmse000233",18,68.5995,3.44
"melibiose","bmse000233",19,68.5046,5.7
"melibiose","bmse000233",20,63.7983,7.42
"D_glucono_1_5_lactone","bmse000230",1,181.2312,2.98
"D_glucono_1_5_lactone","bmse000230",2,76.6877,12.5
"D_glucono_1_5_lactone","bmse000230",3,75.204,12.42
"D_glucono_1_5_lactone","bmse000230",4,73.8622,12.42
"D_glucono_1_5_lactone","bmse000230",5,73.6372,12.42
"D_glucono_1_5_lactone","bmse000230",6,65.3046,10.99
"N_acetyl_D_glucosamine","bmse000231",1,177.4899,2.8
"N_acetyl_D_glucosamine","bmse000231",2,177.2462,4.07
"N_acetyl_D_glucosamine","bmse000231",3,97.6343,8.26
"N_acetyl_D_glucosamine","bmse000231",4,93.5456,12.5
"N_acetyl_D_glucosamine","bmse000231",5,78.6606,9.02
"N_acetyl_D_glucosamine","bmse000231",6,76.5921,8.56
"N_acetyl_D_glucosamine","bmse000231",7,74.2719,12.4
"N_acetyl_D_glucosamine","bmse000231",8,73.3628,12.21
"N_acetyl_D_glucosamine","bmse000231",9,72.7507,12.34
"N_acetyl_D_glucosamine","bmse000231",10,72.5242,8.84
"N_acetyl_D_glucosamine","bmse000231",11,63.4249,7.22
"N_acetyl_D_glucosamine","bmse000231",12,63.2564,10.49
"N_acetyl_D_glucosamine","bmse000231",13,59.3824,8.25
"N_acetyl_D_glucosamine","bmse000231",14,56.8002,11.86
"N_acetyl_D_glucosamine","bmse000231",15,24.8865,6.38
"N_acetyl_D_glucosamine","bmse000231",16,24.609,9.19
"polygalacturonic_acid","bmse000228",1,178.1914,12.5
"polygalacturonic_acid","bmse000228",2,101.6522,9.97
"polygalacturonic_acid","bmse000228",3,80.5569,9.65
"polygalacturonic_acid","bmse000228",4,73.9772,8.45
"polygalacturonic_acid","bmse000228",5,71.4996,8.28
"polygalacturonic_acid","bmse000228",6,70.7598,8.29
"polygalacturonic_acid","bmse000228",7,26.4074,3.65
"D_saccharate","bmse000239",1,181.3679,2.13
"D_saccharate","bmse000239",2,181.237,1.95
"D_saccharate","bmse000239",3,76.4264,11.96
"D_saccharate","bmse000239",4,76.4165,12.5
"D_saccharate","bmse000239",5,76.2846,9.51
"D_saccharate","bmse000239",6,74.3621,9.95
"stachyose","bmse000240",1,106.5168,12.21
"stachyose","bmse000240",2,101.06,8.92
"stachyose","bmse000240",3,100.7169,10.76
"stachyose","bmse000240",4,94.8219,8.89
"stachyose","bmse000240",5,84.0524,9.16
"stachyose","bmse000240",6,78.9976,9.04
"stachyose","bmse000240",7,76.6795,9.2
"stachyose","bmse000240",8,75.4111,9
"stachyose","bmse000240",9,73.9757,8.23
"stachyose","bmse000240",10,73.7006,10.47
"stachyose","bmse000240",11,73.6476,9.63
"stachyose","bmse000240",12,72.1972,12.5
"stachyose","bmse000240",13,72.173,10.25
"stachyose","bmse000240",14,72.0684,10.06
"stachyose","bmse000240",15,72.0362,10.92
"stachyose","bmse000240",16,71.9303,12.49
"stachyose","bmse000240",17,71.5019,8.73
"stachyose","bmse000240",18,71.1393,9.07
"stachyose","bmse000240",19,70.9835,10.63
"stachyose","bmse000240",20,69.1734,6.48
"stachyose","bmse000240",21,68.5201,5.87
"stachyose","bmse000240",22,65.1886,8.65
"stachyose","bmse000240",23,64.0756,7.23
"stachyose","bmse000240",24,63.8499,10.36
"L_tartaric_acid","bmse000167",1,181.2992,12.5
"D_xylonate_cadmium","bmse000166",1,181.2863,3.14
"D_xylonate_cadmium","bmse000166",2,75.334,10.18
"D_xylonate_cadmium","bmse000166",3,75.0844,12.5
"D_xylonate_cadmium","bmse000166",4,65.059,9.59
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",1,177.4252,6.68
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",2,95.4941,6.42
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",3,95.4396,6.74
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",4,74.801,12.35
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",5,74.139,11.43
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",6,72.7232,12.5
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",7,63.4049,10.26
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",8,60.1376,1.31
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",9,56.8998,5.8
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",10,56.8264,6.12
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",11,24.8578,11.78
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",12,19.5062,1.22
"L_ornithine","bmse000162",1,177.052,2.52
"L_ornithine","bmse000162",2,56.8032,12.42
"L_ornithine","bmse000162",3,41.5581,10.67
"L_ornithine","bmse000162",4,30.183,12.5
"L_ornithine","bmse000162",5,25.4674,10.78
"D_alanine","bmse000236",1,178.5839,1.59
"D_alanine","bmse000236",2,53.2011,9.79
"D_alanine","bmse000236",3,18.8519,12.5
"4_nitrophenol","bmse000223",1,130.0111,12.5
"4_nitrophenol","bmse000223",2,129.9947,12.29
"4_nitrophenol","bmse000223",3,120.3011,8.51
"4_nitrophenol","bmse000223",4,120.2591,10.79
"D_L_glyceraldehyde","bmse000225",1,92.4597,11.03
"D_L_glyceraldehyde","bmse000225",2,76.7639,11.48
"D_L_glyceraldehyde","bmse000225",3,64.6759,12.5
"4_hydroxycinnamic_acid","bmse000150",1,178.908,1.38
"4_hydroxycinnamic_acid","bmse000150",2,159.818,1.85
"4_hydroxycinnamic_acid","bmse000150",3,143.5246,4.55
"4_hydroxycinnamic_acid","bmse000150",4,132.2994,11.74
"4_hydroxycinnamic_acid","bmse000150",5,130.1932,2.25
"4_hydroxycinnamic_acid","bmse000150",6,124.1229,4.91
"4_hydroxycinnamic_acid","bmse000150",7,118.5321,12.5
"alpha_D_galactose_1_phosphate","bmse000151",1,96.62,5.96
"alpha_D_galactose_1_phosphate","bmse000151",2,96.566,5.93
"alpha_D_galactose_1_phosphate","bmse000151",3,73.8281,11.4
"alpha_D_galactose_1_phosphate","bmse000151",4,72.304,10.42
"alpha_D_galactose_1_phosphate","bmse000151",5,72.1558,12.5
"alpha_D_galactose_1_phosphate","bmse000151",6,71.7402,5.87
"alpha_D_galactose_1_phosphate","bmse000151",7,71.6737,5.84
"alpha_D_galactose_1_phosphate","bmse000151",8,64.0705,10.09
"dAMP","bmse000250",1,155.0627,3.71
"dAMP","bmse000250",2,142.9366,3.42
"dAMP","bmse000250",3,90.1821,11.54
"dAMP","bmse000250",4,87.3797,7.1
"dAMP","bmse000250",5,74.0139,10.26
"dAMP","bmse000250",6,64.4148,12.5
"dAMP","bmse000250",7,41.7694,7.82
"Oxalosuccinate","bmse000251",1,184.1371,2.15
"Oxalosuccinate","bmse000251",2,172.7664,1.95
"Oxalosuccinate","bmse000251",3,52.8383,1.48
"Oxalosuccinate","bmse000251",4,38.5758,5.93
"Oxalosuccinate","bmse000251",5,38.454,1.48
"Oxalosuccinate","bmse000251",6,38.2644,1.54
"Oxalosuccinate","bmse000251",7,38.0683,1.39
"Oxalosuccinate","bmse000251",8,36.9355,3.83
"Oxalosuccinate","bmse000251",9,35.3007,1.19
"Oxalosuccinate","bmse000251",10,34.9692,1.16
"Oxalosuccinate","bmse000251",11,33.3147,5.48
"Oxalosuccinate","bmse000251",12,33.2611,6.95
"Oxalosuccinate","bmse000251",13,33.2048,12.5
"Oxalosuccinate","bmse000251",14,25.9719,1.99
"Salicylate","bmse000252",1,178.336,1.8
"Salicylate","bmse000252",2,162.3095,1.9
"Salicylate","bmse000252",3,136.7054,12.5
"Salicylate","bmse000252",4,133.2002,11.8
"Salicylate","bmse000252",5,122.0978,11.69
"Salicylate","bmse000252",6,120.713,2.32
"Salicylate","bmse000252",7,119.007,12.31
"dADP","bmse000253",1,158.1421,4.9
"dADP","bmse000253",2,155.3005,9.18
"dADP","bmse000253",3,151.2181,2.23
"dADP","bmse000253",4,142.6258,3.6
"dADP","bmse000253",5,121.1832,1.88
"dADP","bmse000253",6,88.4189,5.03
"dADP","bmse000253",7,88.3329,5.02
"dADP","bmse000253",8,86.1412,10.03
"dADP","bmse000253",9,73.3197,12.5
"dADP","bmse000253",10,67.3652,4.1
"dADP","bmse000253",11,67.3129,3.98
"dADP","bmse000253",12,41.5514,9.81
"D_Fructose_1_phosphate","bmse000254",1,100.8301,3.74
"D_Fructose_1_phosphate","bmse000254",2,100.7578,3.97
"D_Fructose_1_phosphate","bmse000254",3,83.1443,1.21
"D_Fructose_1_phosphate","bmse000254",4,78.79,1.8
"D_Fructose_1_phosphate","bmse000254",5,76.8304,1.21
"D_Fructose_1_phosphate","bmse000254",6,72.0493,12.5
"D_Fructose_1_phosphate","bmse000254",7,71.8351,11.69
"D_Fructose_1_phosphate","bmse000254",8,70.5098,12.35
"D_Fructose_1_phosphate","bmse000254",9,68.9967,5.19
"D_Fructose_1_phosphate","bmse000254",10,68.9492,5.25
"D_Fructose_1_phosphate","bmse000254",11,66.0887,9.73
"D_Fructose_1_phosphate","bmse000254",12,64.969,2.12
"D_Fructose_1_phosphate","bmse000254",13,64.1264,1.29
"ITP","bmse000255",1,161.4399,4.25
"ITP","bmse000255",2,151.5943,2.62
"ITP","bmse000255",3,149.0201,9.65
"ITP","bmse000255",4,142.5226,5.74
"ITP","bmse000255",5,126.3562,2.24
"ITP","bmse000255",6,90.276,1.56
"ITP","bmse000255",7,89.9312,10.81
"ITP","bmse000255",8,86.8306,5.65
"ITP","bmse000255",9,86.7415,5.81
"ITP","bmse000255",10,77.2254,2.18
"ITP","bmse000255",11,77.1273,12.5
"ITP","bmse000255",12,72.8596,11.68
"ITP","bmse000255",13,72.5243,2.14
"ITP","bmse000255",14,67.7479,4.35
"ITP","bmse000255",15,67.695,4.23
"Formaldehyde","bmse000256",1,84.4358,12.5
"FMN","bmse000257",1,163.2526,6.78
"FMN","bmse000257",2,160.3175,7.33
"FMN","bmse000257",3,153.429,6.6
"FMN","bmse000257",4,152.3129,4.11
"FMN","bmse000257",5,142.1584,7.18
"FMN","bmse000257",6,136.6282,6.86
"FMN","bmse000257",7,136.1877,6.82
"FMN","bmse000257",8,134.1083,4
"FMN","bmse000257",9,132.8224,4.98
"FMN","bmse000257",10,119.7064,4.78
"FMN","bmse000257",11,75.2209,6.14
"FMN","bmse000257",12,74.4868,3.9
"FMN","bmse000257",13,74.4237,3.92
"FMN","bmse000257",14,72.0087,6.36
"FMN","bmse000257",15,67.8012,3.52
"FMN","bmse000257",16,50.1474,2.93
"FMN","bmse000257",17,23.466,11.62
"FMN","bmse000257",18,21.3437,12.5
"Glycolaldehyde","bmse000258",1,92.374,9.81
"Glycolaldehyde","bmse000258",2,67.1623,12.5
"4_Hydroxybenzaldehyde","bmse000259",1,197.0798,3.76
"4_Hydroxybenzaldehyde","bmse000259",2,136.1538,9.71
"4_Hydroxybenzaldehyde","bmse000259",3,129.545,1.03
"4_Hydroxybenzaldehyde","bmse000259",4,119.8609,12.5
"Nicotinamide_D_ribonucleotide","bmse000260",1,175.8236,3.35
"Nicotinamide_D_ribonucleotide","bmse000260",2,141.0654,10.52
"Nicotinamide_D_ribonucleotide","bmse000260",3,127.6138,9.12
"Nicotinamide_D_ribonucleotide","bmse000260",4,108.182,10.66
"Nicotinamide_D_ribonucleotide","bmse000260",5,103.4044,6.52
"Nicotinamide_D_ribonucleotide","bmse000260",6,103.1839,1.61
"Nicotinamide_D_ribonucleotide","bmse000260",7,97.6396,11.48
"Nicotinamide_D_ribonucleotide","bmse000260",8,85.9422,6.34
"Nicotinamide_D_ribonucleotide","bmse000260",9,85.8555,6.04
"Nicotinamide_D_ribonucleotide","bmse000260",10,80.4925,1.81
"Nicotinamide_D_ribonucleotide","bmse000260",11,74.2063,1.79
"Nicotinamide_D_ribonucleotide","bmse000260",12,73.4952,12.5
"Nicotinamide_D_ribonucleotide","bmse000260",13,73.3372,12.21
"Nicotinamide_D_ribonucleotide","bmse000260",14,66.7617,5.06
"Nicotinamide_D_ribonucleotide","bmse000260",15,66.7167,4.78
"Nicotinamide_D_ribonucleotide","bmse000260",16,24.6964,9.6
"Acetyl_phosphate","bmse000261",1,175.0096,3.44
"Acetyl_phosphate","bmse000261",2,25.9801,10.24
"Acetyl_phosphate","bmse000261",3,24.7883,12.5
"Acetyl_phosphate","bmse000261",4,24.7425,11.1
"3_4_Hydroxyphenyl_pyruvate","bmse000262",1,157.3242,1.3
"3_4_Hydroxyphenyl_pyruvate","bmse000262",2,133.865,7.91
"3_4_Hydroxyphenyl_pyruvate","bmse000262",3,118.3826,12.5
"3_4_Hydroxyphenyl_pyruvate","bmse000262",4,117.7478,1.45
"NADP","bmse000263",1,167.8496,4.47
"NADP","bmse000263",2,158.1147,5.39
"NADP","bmse000263",3,155.428,9.01
"NADP","bmse000263",4,151.6757,5.76
"NADP","bmse000263",5,148.3745,7.75
"NADP","bmse000263",6,145.0167,6.29
"NADP","bmse000263",7,142.8886,8.29
"NADP","bmse000263",8,142.5477,5.92
"NADP","bmse000263",9,136.304,8.28
"NADP","bmse000263",10,131.3453,8.51
"NADP","bmse000263",11,121.1612,3.82
"NADP","bmse000263",12,102.729,11.11
"NADP","bmse000263",13,89.8221,5.86
"NADP","bmse000263",14,89.7336,5.64
"NADP","bmse000263",15,89.2538,5.26
"NADP","bmse000263",16,89.1719,5.28
"NADP","bmse000263",17,85.7472,5.48
"NADP","bmse000263",18,85.6577,5.52
"NADP","bmse000263",19,80.3221,12.5
"NADP","bmse000263",20,78.7636,5.55
"NADP","bmse000263",21,78.722,5.71
"NADP","bmse000263",22,73.3731,12.23
"NADP","bmse000263",23,72.7335,7.06
"NADP","bmse000263",24,68.2193,4.11
"NADP","bmse000263",25,67.6754,4.43
"NADP","bmse000263",26,57.0544,1.98
"4_Nitrophenyl_phosphate","bmse000264",1,163.0405,1.08
"4_Nitrophenyl_phosphate","bmse000264",2,144.5179,1.04
"4_Nitrophenyl_phosphate","bmse000264",3,128.4131,12.5
"4_Nitrophenyl_phosphate","bmse000264",4,122.6671,7.06
"4_Nitrophenyl_phosphate","bmse000264",5,122.6148,7.04
"4_Nitrocatechol","bmse000265",1,164.1278,1.69
"4_Nitrocatechol","bmse000265",2,148.5107,2.32
"4_Nitrocatechol","bmse000265",3,138.4594,1.3
"4_Nitrocatechol","bmse000265",4,122.9045,11.12
"4_Nitrocatechol","bmse000265",5,118.6529,12.08
"4_Nitrocatechol","bmse000265",6,112.45,12.5
"UDP","bmse000266",1,169.0888,5
"UDP","bmse000266",2,154.545,3.74
"UDP","bmse000266",3,144.5243,8.52
"UDP","bmse000266",4,105.234,10.35
"UDP","bmse000266",5,91.4445,11.2
"UDP","bmse000266",6,85.9024,5.62
"UDP","bmse000266",7,85.8136,5.66
"UDP","bmse000266",8,76.5959,12.5
"UDP","bmse000266",9,71.8259,11.92
"UDP","bmse000266",10,66.8315,4.4
"UDP","bmse000266",11,66.7792,4.54
"Formamide","bmse000267",1,169.4492,12.5
"R_Lactate","bmse000269",1,185.265,2.92
"R_Lactate","bmse000269",2,71.1978,10.49
"R_Lactate","bmse000269",3,22.7641,12.5
"GDP","bmse000270",1,161.6068,4.89
"GDP","bmse000270",2,156.6326,5.27
"GDP","bmse000270",3,154.1538,4.67
"GDP","bmse000270",4,140.2801,1.14
"GDP","bmse000270",5,140.1096,6.84
"GDP","bmse000270",6,118.7579,3.69
"GDP","bmse000270",7,89.8065,11.14
"GDP","bmse000270",8,86.2198,5.66
"GDP","bmse000270",9,86.132,5.77
"GDP","bmse000270",10,76.7534,12.5
"GDP","bmse000270",11,72.5131,12.28
"GDP","bmse000270",12,67.1729,4.45
"GDP","bmse000270",13,67.1215,4.26
"CoA","bmse000271",1,177.6817,2.7
"CoA","bmse000271",2,177.4294,8.2
"CoA","bmse000271",3,176.8233,2.08
"CoA","bmse000271",4,176.7106,6.6
"CoA","bmse000271",5,158.389,5.21
"CoA","bmse000271",6,155.6654,8.04
"CoA","bmse000271",7,155.5753,5.97
"CoA","bmse000271",8,152.1398,5.55
"CoA","bmse000271",9,152.0219,2.76
"CoA","bmse000271",10,142.9347,4.88
"CoA","bmse000271",11,142.6212,6.68
"CoA","bmse000271",12,121.3186,3.76
"CoA","bmse000271",13,89.3885,6.08
"CoA","bmse000271",14,89.1901,9.09
"CoA","bmse000271",15,87.3585,1.54
"CoA","bmse000271",16,87.3087,1.85
"CoA","bmse000271",17,87.2237,1.74
"CoA","bmse000271",18,86.8498,2.3
"CoA","bmse000271",19,86.7595,2.57
"CoA","bmse000271",20,85.3884,1.1
"CoA","bmse000271",21,79.6453,1.28
"CoA","bmse000271",22,79.1396,1.19
"CoA","bmse000271",23,78.2226,1.22
"CoA","bmse000271",24,77.5422,4.25
"CoA","bmse000271",25,77.2177,3.82
"CoA","bmse000271",26,77.1851,3.69
"CoA","bmse000271",27,76.9949,5.4
"CoA","bmse000271",28,76.9604,4.74
"CoA","bmse000271",29,76.7805,9.52
"CoA","bmse000271",30,76.4673,4.19
"CoA","bmse000271",31,76.4236,8.22
"CoA","bmse000271",32,76.3796,5.46
"CoA","bmse000271",33,74.5542,4.24
"CoA","bmse000271",34,74.4922,3.65
"CoA","bmse000271",35,73.328,2.2
"CoA","bmse000271",36,73.2765,1.86
"CoA","bmse000271",37,68.4744,3.83
"CoA","bmse000271",38,68.4222,3.88
"CoA","bmse000271",39,66.6691,2.47
"CoA","bmse000271",40,66.6238,2.86
"CoA","bmse000271",41,45.0428,4.93
"CoA","bmse000271",42,44.9976,11.76
"CoA","bmse000271",43,44.9048,1.18
"CoA","bmse000271",44,41.1259,2.81
"CoA","bmse000271",45,41.0359,6.14
"CoA","bmse000271",46,40.9558,6.01
"CoA","bmse000271",47,40.7593,1.76
"CoA","bmse000271",48,39.1263,1.74
"CoA","bmse000271",49,38.2973,1.72
"CoA","bmse000271",50,38.1621,9.87
"CoA","bmse000271",51,38.0817,9.25
"CoA","bmse000271",52,25.7997,12.5
"CoA","bmse000271",53,24.0869,1.45
"CoA","bmse000271",54,23.9984,3.96
"CoA","bmse000271",55,23.5128,8.93
"CoA","bmse000271",56,22.6789,1.36
"CoA","bmse000271",57,20.9419,3.81
"CoA","bmse000271",58,20.7819,9.63
"CoA","bmse000271",59,20.1012,1.78
"CDP","bmse000272",1,168.8761,4.9
"CDP","bmse000272",2,160.4002,4.39
"CDP","bmse000272",3,144.5698,1.09
"CDP","bmse000272",4,144.266,8.55
"CDP","bmse000272",5,99.3648,1.46
"CDP","bmse000272",6,99.2242,9.38
"CDP","bmse000272",7,92.2295,11.24
"CDP","bmse000272",8,91.8456,1.72
"CDP","bmse000272",9,85.3396,5.74
"CDP","bmse000272",10,85.2502,5.69
"CDP","bmse000272",11,77.0076,12.5
"CDP","bmse000272",12,72.3706,1.47
"CDP","bmse000272",13,71.4858,12.07
"CDP","bmse000272",14,66.6366,4.51
"CDP","bmse000272",15,66.5841,4.41
"D_Aspartate","bmse000273",1,180.3052,2.2
"D_Aspartate","bmse000273",2,177.0122,1.98
"D_Aspartate","bmse000273",3,54.9072,9.91
"D_Aspartate","bmse000273",4,39.2644,12.5
"Thiamin","bmse000274",1,171.726,5.58
"Thiamin","bmse000274",2,164.5163,3.11
"Thiamin","bmse000274",3,159.8969,10.99
"Thiamin","bmse000274",4,145.552,3.59
"Thiamin","bmse000274",5,138.7379,4.97
"Thiamin","bmse000274",6,107.1899,6.29
"Thiamin","bmse000274",7,63.1255,12.5
"Thiamin","bmse000274",8,53.7574,10.69
"Thiamin","bmse000274",9,31.9248,12.41
"Thiamin","bmse000274",10,26.7632,11.25
"Thiamin","bmse000274",11,13.8517,12.02
"D_Fructose_2_6_bisphosphate","bmse000275",1,106.8714,4.79
"D_Fructose_2_6_bisphosphate","bmse000275",2,106.8017,4.74
"D_Fructose_2_6_bisphosphate","bmse000275",3,82.9825,6.41
"D_Fructose_2_6_bisphosphate","bmse000275",4,82.912,6.28
"D_Fructose_2_6_bisphosphate","bmse000275",5,80.0513,6.58
"D_Fructose_2_6_bisphosphate","bmse000275",6,80.0052,6.39
"D_Fructose_2_6_bisphosphate","bmse000275",7,78.0543,12.5
"D_Fructose_2_6_bisphosphate","bmse000275",8,68.3553,5.53
"D_Fructose_2_6_bisphosphate","bmse000275",9,68.3079,5.71
"D_Fructose_2_6_bisphosphate","bmse000275",10,65.2002,7.1
"D_Fructose_2_6_bisphosphate","bmse000275",11,60.1397,1.11
"D_Fructose_2_6_bisphosphate","bmse000275",12,19.51,1.19
"Ethanolamine","bmse000276",1,60.3171,12.5
"Ethanolamine","bmse000276",2,43.9507,8.05
"CTP","bmse000277",1,168.8983,5.15
"CTP","bmse000277",2,160.5208,4.42
"CTP","bmse000277",3,144.2311,8.6
"CTP","bmse000277",4,99.3524,9.52
"CTP","bmse000277",5,91.8085,11.04
"CTP","bmse000277",6,85.501,5.68
"CTP","bmse000277",7,85.4107,5.57
"CTP","bmse000277",8,77.0203,1.35
"CTP","bmse000277",9,76.8989,12.5
"CTP","bmse000277",10,71.7933,11.89
"CTP","bmse000277",11,71.4631,1.06
"CTP","bmse000277",12,67.272,4.2
"CTP","bmse000277",13,67.2177,4.39
"D_Ribulose_5_phosphate","bmse000278",1,103.8241,7.82
"D_Ribulose_5_phosphate","bmse000278",2,98.9771,2.24
"D_Ribulose_5_phosphate","bmse000278",3,85.3023,1.6
"D_Ribulose_5_phosphate","bmse000278",4,84.6704,3.81
"D_Ribulose_5_phosphate","bmse000278",5,84.5875,4.13
"D_Ribulose_5_phosphate","bmse000278",6,78.03,9.99
"D_Ribulose_5_phosphate","bmse000278",7,73.4112,12.5
"D_Ribulose_5_phosphate","bmse000278",8,72.931,3.83
"D_Ribulose_5_phosphate","bmse000278",9,67.3547,5.39
"D_Ribulose_5_phosphate","bmse000278",10,67.3093,5.5
"D_Ribulose_5_phosphate","bmse000278",11,66.4813,2.3
"Urocanate","bmse000279",1,178.6198,2.5
"Urocanate","bmse000279",2,140.3626,11.29
"Urocanate","bmse000279",3,137.0776,2.14
"Urocanate","bmse000279",4,133.668,10.36
"Urocanate","bmse000279",5,124.4849,12.5
"Urocanate","bmse000279",6,123.9802,8.38
"UMP","bmse000280",1,169.0839,4.57
"UMP","bmse000280",2,154.6578,3.41
"UMP","bmse000280",3,144.8275,8.54
"UMP","bmse000280",4,105.3924,10.43
"UMP","bmse000280",5,91.006,11.31
"UMP","bmse000280",6,86.9204,5.97
"UMP","bmse000280",7,86.8326,6.05
"UMP","bmse000280",8,76.6643,12.5
"UMP","bmse000280",9,72.7729,12.16
"UMP","bmse000280",10,65.9126,4.79
"UMP","bmse000280",11,65.8681,4.9
"Nicotinamide","bmse000281",1,154.5266,12.5
"Nicotinamide","bmse000281",2,150.344,11.49
"Nicotinamide","bmse000281",3,139.1539,11.48
"Nicotinamide","bmse000281",4,131.9398,1.76
"Nicotinamide","bmse000281",5,126.9235,10.76
"DL_Alanine","bmse000282",1,178.5738,1.77
"DL_Alanine","bmse000282",2,53.2017,9.6
"DL_Alanine","bmse000282",3,18.85,12.5
"Orotate","bmse000283",1,104.064,12.5
"Benzonitrile","bmse000284",1,136.2019,8.6
"Benzonitrile","bmse000284",2,135.1116,12.5
"Benzonitrile","bmse000284",3,131.8912,12.48
"Choline","bmse000285",1,70.1479,3.39
"Choline","bmse000285",2,70.1177,3.59
"Choline","bmse000285",3,70.0875,3.34
"Choline","bmse000285",4,58.3089,8.06
"Choline","bmse000285",5,56.621,11.8
"Choline","bmse000285",6,56.5813,12.5
"Choline","bmse000285",7,56.542,12.01
"Acetophenone","bmse000286",1,136.8469,7.17
"Acetophenone","bmse000286",2,131.5104,12.5
"Acetophenone","bmse000286",3,131.2516,11.84
"Acetophenone","bmse000286",4,28.9711,3.47
"Pantothenate","bmse000287",1,183.0208,3.24
"Pantothenate","bmse000287",2,177.6531,4.02
"Pantothenate","bmse000287",3,78.4586,12.5
"Pantothenate","bmse000287",4,71.0985,10.81
"Pantothenate","bmse000287",5,41.2778,8.26
"Pantothenate","bmse000287",6,39.3779,10.45
"Pantothenate","bmse000287",7,38.8533,9.94
"Pantothenate","bmse000287",8,23.2349,9.96
"Pantothenate","bmse000287",9,21.8424,10.1
"Pyridoxine","bmse000288",1,163.4259,2.28
"Pyridoxine","bmse000288",2,146.9983,3.52
"Pyridoxine","bmse000288",3,141.4468,3.78
"Pyridoxine","bmse000288",4,138.1842,4.52
"Pyridoxine","bmse000288",5,127.4073,3.84
"Pyridoxine","bmse000288",6,61.4656,12.5
"Pyridoxine","bmse000288",7,58.6687,10.33
"Pyridoxine","bmse000288",8,18.2013,8.23
"S_Adenosyl_L_homocysteine","bmse000289",1,176.8876,4.61
"S_Adenosyl_L_homocysteine","bmse000289",2,158.3878,3.44
"S_Adenosyl_L_homocysteine","bmse000289",3,155.6615,9.39
"S_Adenosyl_L_homocysteine","bmse000289",4,151.6956,3.2
"S_Adenosyl_L_homocysteine","bmse000289",5,142.814,7.91
"S_Adenosyl_L_homocysteine","bmse000289",6,121.5644,2.04
"S_Adenosyl_L_homocysteine","bmse000289",7,90.125,10.63
"S_Adenosyl_L_homocysteine","bmse000289",8,90.0104,2.04
"S_Adenosyl_L_homocysteine","bmse000289",9,86.1029,11.9
"S_Adenosyl_L_homocysteine","bmse000289",10,75.9715,11.38
"S_Adenosyl_L_homocysteine","bmse000289",11,75.0004,12.5
"S_Adenosyl_L_homocysteine","bmse000289",12,56.4364,10.43
"S_Adenosyl_L_homocysteine","bmse000289",13,36.2065,8.4
"S_Adenosyl_L_homocysteine","bmse000289",14,33.1203,8.91
"S_Adenosyl_L_homocysteine","bmse000289",15,30.4627,9.14
"Phenol","bmse000290",1,132.703,11.87
"Phenol","bmse000290",2,123.3534,6.56
"Phenol","bmse000290",3,118.0886,12.5
"Selenomethionine","bmse000291",1,176.8764,2.7
"Selenomethionine","bmse000291",2,57.3265,11.71
"Selenomethionine","bmse000291",3,33.5106,11.73
"Selenomethionine","bmse000291",4,21.8408,12.5
"Selenomethionine","bmse000291",5,5.875,6.96
"UDPglucuronate","bmse000292",1,179.1513,4.63
"UDPglucuronate","bmse000292",2,169.0242,5.14
"UDPglucuronate","bmse000292",3,154.6097,3.93
"UDPglucuronate","bmse000292",4,144.2873,8.42
"UDPglucuronate","bmse000292",5,105.4108,10.1
"UDPglucuronate","bmse000292",6,98.1166,5.83
"UDPglucuronate","bmse000292",7,98.0506,5.78
"UDPglucuronate","bmse000292",8,91.0126,10.69
"UDPglucuronate","bmse000292",9,86.0368,5.52
"UDPglucuronate","bmse000292",10,85.9455,5.68
"UDPglucuronate","bmse000292",11,76.498,12.5
"UDPglucuronate","bmse000292",12,75.7603,10.99
"UDPglucuronate","bmse000292",13,75.2986,10.18
"UDPglucuronate","bmse000292",14,74.5675,11.19
"UDPglucuronate","bmse000292",15,74.1227,5.66
"UDPglucuronate","bmse000292",16,74.0395,5.54
"UDPglucuronate","bmse000292",17,72.367,11.96
"UDPglucuronate","bmse000292",18,67.7081,4.35
"UDPglucuronate","bmse000292",19,67.6532,4.54
"UDPglucuronate","bmse000292",20,60.142,1.01
"UDPglucuronate","bmse000292",21,19.5053,1.3
"Hydroquinone","bmse000293",1,151.6552,1.09
"Hydroquinone","bmse000293",2,119.0705,12.5
"Methanol","bmse000294",1,51.571,12.5
"Methanol","bmse000294",2,8.3835,1.29
"UTP","bmse000295",1,169.0527,4.84
"UTP","bmse000295",2,154.6305,3.56
"UTP","bmse000295",3,144.4685,8.62
"UTP","bmse000295",4,105.3558,9.9
"UTP","bmse000295",5,90.9803,10.91
"UTP","bmse000295",6,86.0794,5.45
"UTP","bmse000295",7,85.9897,5.66
"UTP","bmse000295",8,76.4645,12.5
"UTP","bmse000295",9,72.1667,11.59
"UTP","bmse000295",10,67.5196,4.26
"UTP","bmse000295",11,67.4644,4.32
"UTP","bmse000295",12,60.1427,1.1
"dTMP","bmse000296",1,169.2356,1.23
"dTMP","bmse000296",2,160.5265,1.29
"dTMP","bmse000296",3,154.4333,1.31
"dTMP","bmse000296",4,140.1216,3.35
"dTMP","bmse000296",5,114.2982,2.37
"dTMP","bmse000296",6,88.3382,2.04
"dTMP","bmse000296",7,88.2519,1.87
"dTMP","bmse000296",8,87.8416,3.66
"dTMP","bmse000296",9,73.7576,4.03
"dTMP","bmse000296",10,69.7071,3.43
"dTMP","bmse000296",11,69.6331,3.39
"dTMP","bmse000296",12,68.674,6.88
"dTMP","bmse000296",13,67.0077,1.54
"dTMP","bmse000296",14,66.9519,1.6
"dTMP","bmse000296",15,57.1741,5.62
"dTMP","bmse000296",16,50.7174,6.42
"dTMP","bmse000296",17,47.4494,6.5
"dTMP","bmse000296",18,41.3959,3.4
"dTMP","bmse000296",19,35.6124,12.5
"dTMP","bmse000296",20,27.378,11.97
"dTMP","bmse000296",21,27.3297,7.39
"dTMP","bmse000296",22,14.3887,4.03
"Ethanol","bmse000297",1,60.1347,10.57
"Ethanol","bmse000297",2,19.4922,12.5
"D_Glyceraldehyde","bmse000298",1,92.4619,11.47
"D_Glyceraldehyde","bmse000298",2,76.7643,11.97
"D_Glyceraldehyde","bmse000298",3,67.5383,2.02
"D_Glyceraldehyde","bmse000298",4,64.6757,12.5
"Folate","bmse000299",1,185.1947,10.02
"Folate","bmse000299",2,182.1813,8.33
"Folate","bmse000299",3,171.6618,6.23
"Folate","bmse000299",4,167.4706,1.1
"Folate","bmse000299",5,156.8561,3.58
"Folate","bmse000299",6,154.9662,1.2
"Folate","bmse000299",7,152.4534,5.63
"Folate","bmse000299",8,150.9644,2.57
"Folate","bmse000299",9,150.4027,4.37
"Folate","bmse000299",10,131.6987,1.03
"Folate","bmse000299",11,131.3015,7.38
"Folate","bmse000299",12,129.0129,4.84
"Folate","bmse000299",13,123.0856,5.17
"Folate","bmse000299",14,113.9108,6.41
"Folate","bmse000299",15,58.6333,8.76
"Folate","bmse000299",16,47.4239,2.98
"Folate","bmse000299",17,37.0651,12.5
"Folate","bmse000299",18,31.1742,7.87
"Benzoate","bmse000300",1,138.9121,1.04
"Benzoate","bmse000300",2,133.9731,7.03
"Benzoate","bmse000300",3,131.4957,12.46
"Benzoate","bmse000300",4,131.0181,12.5
"1_3_diaminopropane","bmse000001",1,39.3182,12.5
"1_3_diaminopropane","bmse000001",2,27.6038,6.62
"2_3_diphospho_D_glyceric_acid","bmse000002",1,180.6244,6.14
"2_3_diphospho_D_glyceric_acid","bmse000002",2,77.8926,9.81
"2_3_diphospho_D_glyceric_acid","bmse000002",3,77.8397,8.95
"2_3_diphospho_D_glyceric_acid","bmse000002",4,77.8017,8.58
"2_3_diphospho_D_glyceric_acid","bmse000002",5,77.7593,8.04
"2_3_diphospho_D_glyceric_acid","bmse000002",6,69.2089,12.5
"2_deoxyguanosine","bmse000003",1,140.4376,7.32
"2_deoxyguanosine","bmse000003",2,89.8652,7.61
"2_deoxyguanosine","bmse000003",3,86.6745,9.57
"2_deoxyguanosine","bmse000003",4,73.9059,12.5
"2_deoxyguanosine","bmse000003",5,64.3305,8.45
"2_deoxyguanosine","bmse000003",6,41.3976,8.86
"adenine","bmse000060",1,153.1875,0.8
"adenine","bmse000060",2,151.829,1.02
"adenine","bmse000060",3,147.5748,11.47
"adenine","bmse000060",4,146.3944,12.5
"adenine","bmse000060",5,118.324,0.66
"adenosine","bmse000061",1,155.2065,8.59
"adenosine","bmse000061",2,151.091,3.13
"adenosine","bmse000061",3,143.2708,6.58
"adenosine","bmse000061",4,91.0332,10.74
"adenosine","bmse000061",5,88.5401,11.36
"adenosine","bmse000061",6,76.3929,12.5
"adenosine","bmse000061",7,73.3525,11.01
"adenosine","bmse000061",8,64.2162,10.03
"adenosine","bmse000061",9,133.0864,1.07
"adonitol","bmse000062",1,74.8925,6.76
"adonitol","bmse000062",2,74.8008,11.44
"adonitol","bmse000062",3,65.0705,12.5
"ADP","bmse000004",1,158.1533,6.68
"ADP","bmse000004",2,155.4207,12.01
"ADP","bmse000004",3,151.6456,1.97
"ADP","bmse000004",4,151.5495,1.81
"ADP","bmse000004",5,142.8127,2.95
"ADP","bmse000004",6,142.5832,3.64
"ADP","bmse000004",7,121.1747,1.72
"ADP","bmse000004",8,89.778,10.17
"ADP","bmse000004",9,89.5551,6.01
"ADP","bmse000004",10,87.4621,3.15
"ADP","bmse000004",11,87.3746,3.43
"ADP","bmse000004",12,86.4858,4.81
"ADP","bmse000004",13,86.3979,5.28
"ADP","bmse000004",14,77.2288,6.53
"ADP","bmse000004",15,77.0622,12.5
"ADP","bmse000004",16,73.4056,6.43
"ADP","bmse000004",17,72.6057,12.04
"ADP","bmse000004",18,67.1794,3.82
"ADP","bmse000004",19,67.1297,3.91
"ADP","bmse000004",20,66.2518,2.61
"ADP","bmse000004",21,66.2091,2.71
"agmatine","bmse000063",1,159.5178,1.15
"agmatine","bmse000063",2,43.1542,9.26
"agmatine","bmse000063",3,41.7324,8.53
"agmatine","bmse000063",4,27.7024,11.07
"agmatine","bmse000063",5,26.715,12.5
"D_allose","bmse000008",1,96.1036,10.7
"D_allose","bmse000008",2,95.5286,1.55
"D_allose","bmse000008",3,76.2932,11.82
"D_allose","bmse000008",4,74.3841,1.58
"D_allose","bmse000008",5,73.9304,11.03
"D_allose","bmse000008",6,73.8513,12.02
"D_allose","bmse000008",7,69.7109,1.21
"D_allose","bmse000008",8,69.5516,1.22
"D_allose","bmse000008",9,69.4757,12.5
"D_allose","bmse000008",10,68.7507,2.03
"D_allose","bmse000008",11,63.8517,10.79
"D_allose","bmse000008",12,63.3663,1.24
"D_fructose","bmse000010",1,100.7878,2.8
"D_fructose","bmse000010",2,83.3844,4
"D_fructose","bmse000010",3,78.7409,1.35
"D_fructose","bmse000010",4,78.0833,3.23
"D_fructose","bmse000010",5,77.1431,3.97
"D_fructose","bmse000010",6,72.3808,12.5
"D_fructose","bmse000010",7,71.9017,10.92
"D_fructose","bmse000010",8,70.2559,10.72
"D_fructose","bmse000010",9,66.587,11.06
"D_fructose","bmse000010",10,66.0735,12.1
"D_fructose","bmse000010",11,65.3682,3.85
"D_fructose","bmse000010",12,65.074,4.07
"D_galactose","bmse000013",1,99.1714,10.5
"D_galactose","bmse000013",2,94.9986,5.59
"D_galactose","bmse000013",3,77.8681,12.5
"D_galactose","bmse000013",4,75.5121,11.36
"D_galactose","bmse000013",5,74.5893,11.5
"D_galactose","bmse000013",6,73.1956,6.08
"D_galactose","bmse000013",7,72.0185,5.93
"D_galactose","bmse000013",8,71.879,5.94
"D_galactose","bmse000013",9,71.4595,12.5
"D_galactose","bmse000013",10,71.0589,5.22
"D_galactose","bmse000013",11,63.8951,5.64
"D_galactose","bmse000013",12,63.6909,11.96
"D_glucose","bmse000015",1,98.6177,12.18
"D_glucose","bmse000015",2,94.8017,7.46
"D_glucose","bmse000015",3,78.6602,12.5
"D_glucose","bmse000015",4,78.46,12.38
"D_glucose","bmse000015",5,76.8429,11.94
"D_glucose","bmse000015",6,75.4621,6.95
"D_glucose","bmse000015",7,74.1868,7.96
"D_glucose","bmse000015",8,74.1521,7.85
"D_glucose","bmse000015",9,72.3476,7.59
"D_glucose","bmse000015",10,72.3041,12.25
"D_glucose","bmse000015",11,63.4496,11.55
"D_glucose","bmse000015",12,63.2877,6.43
"D_mannose","bmse000018",1,96.747,10.66
"D_mannose","bmse000018",2,96.3827,5.27
"D_mannose","bmse000018",3,78.8753,4.9
"D_mannose","bmse000018",4,75.7486,5.48
"D_mannose","bmse000018",5,75.1093,11.15
"D_mannose","bmse000018",6,73.9252,5.51
"D_mannose","bmse000018",7,73.3921,10.59
"D_mannose","bmse000018",8,72.9329,10.68
"D_mannose","bmse000018",9,69.5495,10.82
"D_mannose","bmse000018",10,69.3058,5.88
"D_mannose","bmse000018",11,63.666,12.5
"D_psicose","bmse000020",1,105.9793,2.62
"D_psicose","bmse000020",2,101.1482,2.31
"D_psicose","bmse000020",3,85.4184,12.5
"D_psicose","bmse000020",4,77.3405,2.67
"D_psicose","bmse000020",5,74.437,5.54
"D_psicose","bmse000020",6,73.7152,3.61
"D_psicose","bmse000020",7,73.0555,10.59
"D_psicose","bmse000020",8,73.0326,11.16
"D_psicose","bmse000020",9,72.9119,5.49
"D_psicose","bmse000020",10,71.7174,6.08
"D_psicose","bmse000020",11,68.562,7.08
"D_psicose","bmse000020",12,68.1859,7.9
"D_psicose","bmse000020",13,67.7838,6.98
"D_psicose","bmse000020",14,66.8844,6.45
"D_psicose","bmse000020",15,66.6778,4.36
"D_psicose","bmse000020",16,65.9583,9.93
"D_psicose","bmse000020",17,65.7568,6.2
"D_psicose","bmse000020",18,65.5148,3.26
"D_psicose","bmse000020",19,65.0727,3.8
"D_psicose","bmse000020",20,64.029,7.13
"D_psicose","bmse000020",21,60.6736,5.34
"D_sorbose","bmse000022",1,100.4423,2.8
"D_sorbose","bmse000022",2,76.5308,8.63
"D_sorbose","bmse000022",3,73.0506,8.72
"D_sorbose","bmse000022",4,72.1197,12.5
"D_sorbose","bmse000022",5,66.1492,9.88
"D_sorbose","bmse000022",6,64.4696,11
"D_tagatose","bmse000023",1,100.9098,3.49
"D_tagatose","bmse000023",2,73.6229,12.5
"D_tagatose","bmse000023",3,72.484,10.38
"D_tagatose","bmse000023",4,71.9743,2.2
"D_tagatose","bmse000023",5,69.0595,10.53
"D_tagatose","bmse000023",6,66.5918,10.06
"D_tagatose","bmse000023",7,66.403,1.92
"D_tagatose","bmse000023",8,66.1917,1.73
"D_tagatose","bmse000023",9,64.9495,7.98
"D_tagatose","bmse000023",10,62.8345,1.69
"D_xylose","bmse000026",1,99.3304,11.78
"D_xylose","bmse000026",2,94.9405,6.48
"D_xylose","bmse000026",3,78.526,10.11
"D_xylose","bmse000026",4,76.7418,12.5
"D_xylose","bmse000026",5,75.5229,5.77
"D_xylose","bmse000026",6,74.1661,6.42
"D_xylose","bmse000026",7,72.1118,6.54
"D_xylose","bmse000026",8,71.9378,12.28
"D_xylose","bmse000026",9,67.899,10.25
"D_xylose","bmse000026",10,63.6456,5.21
"alpha_ketoglutaric_acid","bmse000064",1,184.1528,2.07
"alpha_ketoglutaric_acid","bmse000064",2,38.5723,12.5
"alpha_ketoglutaric_acid","bmse000064",3,33.3219,9.83
"alpha_lactose","bmse000065",1,105.6382,8.25
"alpha_lactose","bmse000065",2,98.4725,7.33
"alpha_lactose","bmse000065",3,94.539,4.05
"alpha_lactose","bmse000065",4,81.1636,3.89
"alpha_lactose","bmse000065",5,81.0377,6.84
"alpha_lactose","bmse000065",6,78.0734,12.5
"alpha_lactose","bmse000065",7,77.522,7.34
"alpha_lactose","bmse000065",8,77.0808,7.32
"alpha_lactose","bmse000065",9,76.5296,7.28
"alpha_lactose","bmse000065",10,75.2407,11.24
"alpha_lactose","bmse000065",11,74.1286,4.28
"alpha_lactose","bmse000065",12,73.8715,4.75
"alpha_lactose","bmse000065",13,73.6835,9.31
"alpha_lactose","bmse000065",14,72.8271,3.84
"alpha_lactose","bmse000065",15,71.272,8.2
"alpha_lactose","bmse000065",16,63.7524,7.27
"alpha_lactose","bmse000065",17,62.8108,4.95
"alpha_lactose","bmse000065",18,62.6765,3.11
"4_aminobenzoic_acid","bmse000066",1,133.5667,12.5
"4_aminobenzoic_acid","bmse000066",2,128.9442,1.1
"4_aminobenzoic_acid","bmse000066",3,117.8119,11.36
"AMP","bmse000005",1,158.1415,3.52
"AMP","bmse000005",2,155.4083,9.41
"AMP","bmse000005",3,151.6344,4.45
"AMP","bmse000005",4,142.8031,7.78
"AMP","bmse000005",5,121.1486,2.72
"AMP","bmse000005",6,89.5563,11.53
"AMP","bmse000005",7,87.4594,6.04
"AMP","bmse000005",8,87.3722,6.06
"AMP","bmse000005",9,77.2299,12.5
"AMP","bmse000005",10,73.4036,12.24
"AMP","bmse000005",11,66.25,4.83
"AMP","bmse000005",12,66.2055,5.13
"anthranilic_acid","bmse000067",1,150.2702,2.1
"anthranilic_acid","bmse000067",2,134.7227,10.28
"anthranilic_acid","bmse000067",3,133.6538,12.5
"anthranilic_acid","bmse000067",4,123.4956,1.99
"anthranilic_acid","bmse000067",5,120.6937,11.1
"anthranilic_acid","bmse000067",6,120.3926,11.42
"L_arabitol","bmse000068",1,73.609,12.5
"L_arabitol","bmse000068",2,73.1399,11.93
"L_arabitol","bmse000068",3,72.9514,12.49
"L_arabitol","bmse000068",4,65.7296,10.81
"L_arabitol","bmse000068",5,65.6383,9.86
"ATP","bmse000006",1,158.2621,4.05
"ATP","bmse000006",2,155.4997,9.32
"ATP","bmse000006",3,151.7848,3.62
"ATP","bmse000006",4,142.6155,7.12
"ATP","bmse000006",5,121.2616,2.51
"ATP","bmse000006",6,89.3634,10.94
"ATP","bmse000006",7,86.7432,5.75
"ATP","bmse000006",8,86.6543,5.65
"ATP","bmse000006",9,76.9481,12.5
"ATP","bmse000006",10,72.9427,11.75
"ATP","bmse000006",11,67.8017,4.32
"ATP","bmse000006",12,67.7473,4.42
"betaine","bmse000069",1,171.9654,1.21
"betaine","bmse000069",2,68.893,3.07
"betaine","bmse000069",3,68.8587,3.29
"betaine","bmse000069",4,68.8297,3.27
"betaine","bmse000069",5,56.0898,10.14
"betaine","bmse000069",6,56.0509,12.5
"betaine","bmse000069",7,56.0118,10.21
"betaine_aldehyde","bmse000070",1,87.5694,9.74
"betaine_aldehyde","bmse000070",2,56.9587,10.45
"betaine_aldehyde","bmse000070",3,56.9195,12.5
"betaine_aldehyde","bmse000070",4,56.8886,11.17
"cadaverine","bmse000072",1,41.871,11.66
"cadaverine","bmse000072",2,28.9617,12.5
"cadaverine","bmse000072",3,25.3762,5.64
"cAMP","bmse000071",1,158.0318,4.3
"cAMP","bmse000071",2,155.524,10.63
"cAMP","bmse000071",3,150.7719,4.62
"cAMP","bmse000071",4,142.3466,9.68
"cAMP","bmse000071",5,121.2041,3.29
"cAMP","bmse000071",6,94.2109,12.5
"cAMP","bmse000071",7,80.0206,6.2
"cAMP","bmse000071",8,79.9754,6.98
"cAMP","bmse000071",9,75.0214,7.05
"cAMP","bmse000071",10,74.9418,7.25
"cAMP","bmse000071",11,74.463,6.46
"cAMP","bmse000071",12,70.0836,5.58
"cAMP","bmse000071",13,70.0142,5.05
"L_canavanine","bmse000073",1,177.0117,3.9
"L_canavanine","bmse000073",2,161.2671,2
"L_canavanine","bmse000073",3,74.5403,11.99
"L_canavanine","bmse000073",4,55.2855,12.02
"L_canavanine","bmse000073",5,31.809,12.5
"D_carnitine","bmse000074",1,180.7779,2.25
"D_carnitine","bmse000074",2,72.8193,4.47
"D_carnitine","bmse000074",3,72.7942,3.83
"D_carnitine","bmse000074",4,66.791,9.37
"D_carnitine","bmse000074",5,56.8328,10.48
"D_carnitine","bmse000074",6,56.7941,12.5
"D_carnitine","bmse000074",7,56.7554,10.44
"D_carnitine","bmse000074",8,45.6802,6.79
"chorismic_acid","bmse000075",1,155.9825,4.51
"chorismic_acid","bmse000075",2,137.1007,3.63
"chorismic_acid","bmse000075",3,132.6303,11.7
"chorismic_acid","bmse000075",4,131.7674,9.54
"chorismic_acid","bmse000075",5,126.7891,9.9
"chorismic_acid","bmse000075",6,95.5643,8.84
"chorismic_acid","bmse000075",7,82.3153,12.5
"chorismic_acid","bmse000075",8,72.8256,12.45
"citrate","bmse000076",1,184.7215,1.13
"citrate","bmse000076",2,182.0353,2.11
"citrate","bmse000076",3,77.9249,1.44
"citrate","bmse000076",4,48.4023,12.5
"coumarin","bmse000077",1,163.4646,0.72
"coumarin","bmse000077",2,156.7265,1.12
"coumarin","bmse000077",3,146.1206,6.54
"coumarin","bmse000077",4,134.5133,12.5
"coumarin","bmse000077",5,130.5441,8.87
"coumarin","bmse000077",6,127.1083,11.93
"coumarin","bmse000077",7,121.5098,1.08
"coumarin","bmse000077",8,119.5804,6.82
"coumarin","bmse000077",9,119.3784,7.14
"creatine","bmse000078",1,177.3494,1.87
"creatine","bmse000078",2,56.549,12.5
"creatine","bmse000078",3,39.6249,7.16
"creatine_phosphate","bmse000079",1,177.5977,1.69
"creatine_phosphate","bmse000079",2,56.5658,12.5
"creatine_phosphate","bmse000079",3,39.5149,7.02
"dehydro_proline","bmse000080",1,174.9837,1.15
"dehydro_proline","bmse000080",2,128.3998,11.9
"dehydro_proline","bmse000080",3,128.1163,10.28
"dehydro_proline","bmse000080",4,71.129,8.12
"dehydro_proline","bmse000080",5,55.1054,12.5
"D_3_phosphoglyceric_acid","bmse000007",1,181.5589,4.18
"D_3_phosphoglyceric_acid","bmse000007",2,75.6758,11.64
"D_3_phosphoglyceric_acid","bmse000007",3,75.5997,9.71
"D_3_phosphoglyceric_acid","bmse000007",4,69.5144,10.45
"D_3_phosphoglyceric_acid","bmse000007",5,69.4639,12.5
"D_fructose_1_6_bisphosphate","bmse000011",1,107.7441,1.24
"D_fructose_1_6_bisphosphate","bmse000011",2,107.6859,1.45
"D_fructose_1_6_bisphosphate","bmse000011",3,103.7998,2.79
"D_fructose_1_6_bisphosphate","bmse000011",4,103.7169,2.58
"D_fructose_1_6_bisphosphate","bmse000011",5,84.7524,1.84
"D_fructose_1_6_bisphosphate","bmse000011",6,84.6734,1.8
"D_fructose_1_6_bisphosphate","bmse000011",7,84.1618,3.88
"D_fructose_1_6_bisphosphate","bmse000011",8,82.4331,4.33
"D_fructose_1_6_bisphosphate","bmse000011",9,82.3517,4.54
"D_fructose_1_6_bisphosphate","bmse000011",10,79.436,3.58
"D_fructose_1_6_bisphosphate","bmse000011",11,78.4857,12.5
"D_fructose_1_6_bisphosphate","bmse000011",12,76.8309,8.44
"D_fructose_1_6_bisphosphate","bmse000011",13,68.3534,4.96
"D_fructose_1_6_bisphosphate","bmse000011",14,67.3714,1.78
"D_fructose_1_6_bisphosphate","bmse000011",15,67.0519,6.07
"D_fructose_1_6_bisphosphate","bmse000011",16,67.0078,5.96
"D_fructose_1_6_bisphosphate","bmse000011",17,66.9036,2.2
"D_fructose_1_6_bisphosphate","bmse000011",18,66.8591,2.2
"D_fructose_6_phosphate","bmse000012",1,107.1352,1.18
"D_fructose_6_phosphate","bmse000012",2,104.1799,5.96
"D_fructose_6_phosphate","bmse000012",3,84.4579,2.69
"D_fructose_6_phosphate","bmse000012",4,83.1582,1.38
"D_fructose_6_phosphate","bmse000012",5,83.081,1.12
"D_fructose_6_phosphate","bmse000012",6,82.6592,6.1
"D_fructose_6_phosphate","bmse000012",7,82.5783,5.8
"D_fructose_6_phosphate","bmse000012",8,78.536,2.85
"D_fructose_6_phosphate","bmse000012",9,77.8697,12.5
"D_fructose_6_phosphate","bmse000012",10,77.0604,11.73
"D_fructose_6_phosphate","bmse000012",11,67.0498,5.65
"D_fructose_6_phosphate","bmse000012",12,67.0041,5.36
"D_fructose_6_phosphate","bmse000012",13,66.1661,1.42
"D_fructose_6_phosphate","bmse000012",14,65.5593,2.38
"D_fructose_6_phosphate","bmse000012",15,65.331,9.82
"D_glucosamine","bmse000014",1,96.4205,8.72
"D_glucosamine","bmse000014",2,92.2506,9.77
"D_glucosamine","bmse000014",3,78.8513,9.64
"D_glucosamine","bmse000014",4,75.5831,6.35
"D_glucosamine","bmse000014",5,74.3295,12.27
"D_glucosamine","bmse000014",6,72.756,10.13
"D_glucosamine","bmse000014",7,72.4003,6.63
"D_glucosamine","bmse000014",8,72.3164,12.5
"D_glucosamine","bmse000014",9,63.2588,6.09
"D_glucosamine","bmse000014",10,63.0618,8.38
"D_glucosamine","bmse000014",11,59.6201,8.02
"D_glucosamine","bmse000014",12,57.0959,11.82
"D_glucose_6_phosphate","bmse000016",1,98.7788,8.55
"D_glucose_6_phosphate","bmse000016",2,94.9276,4.89
"D_glucose_6_phosphate","bmse000016",3,78.1764,4.82
"D_glucose_6_phosphate","bmse000016",4,78.106,3.56
"D_glucose_6_phosphate","bmse000016",5,77.9455,6.69
"D_glucose_6_phosphate","bmse000016",6,76.9831,9.41
"D_glucose_6_phosphate","bmse000016",7,75.0341,3.92
"D_glucose_6_phosphate","bmse000016",8,74.314,4.27
"D_glucose_6_phosphate","bmse000016",9,73.8171,2.12
"D_glucose_6_phosphate","bmse000016",10,73.7484,2.83
"D_glucose_6_phosphate","bmse000016",11,71.7635,12.5
"D_glucose_6_phosphate","bmse000016",12,65.5737,3.84
"D_glucose_6_phosphate","bmse000016",13,65.5308,3.24
"D_glucose_6_phosphate","bmse000016",14,65.4799,2.31
"D_maltose","bmse000017",1,102.3099,6.16
"D_maltose","bmse000017",2,102.2275,9.38
"D_maltose","bmse000017",3,98.4704,10.34
"D_maltose","bmse000017",4,94.5912,6.33
"D_maltose","bmse000017",5,79.5285,5.17
"D_maltose","bmse000017",6,79.3217,8.47
"D_maltose","bmse000017",7,78.9276,9.15
"D_maltose","bmse000017",8,77.2648,10.83
"D_maltose","bmse000017",9,76.7045,8.61
"D_maltose","bmse000017",10,75.9471,5.48
"D_maltose","bmse000017",11,75.5584,7.84
"D_maltose","bmse000017",12,75.5345,10.55
"D_maltose","bmse000017",13,75.3859,9.92
"D_maltose","bmse000017",14,74.4492,5.89
"D_maltose","bmse000017",15,74.3558,8.17
"D_maltose","bmse000017",16,73.9924,5.77
"D_maltose","bmse000017",17,72.6486,6.16
"D_maltose","bmse000017",18,72.0198,8.44
"D_maltose","bmse000017",19,63.4361,6.09
"D_maltose","bmse000017",20,63.2871,4.41
"D_maltose","bmse000017",21,63.1596,12.5
"D_ornithine","bmse000019",1,56.8208,12.5
"D_ornithine","bmse000019",2,41.5722,10.12
"D_ornithine","bmse000019",3,30.1825,12.11
"D_ornithine","bmse000019",4,25.4604,8.77
"D_threo_isocitric_acid","bmse000025",1,183.683,6.79
"D_threo_isocitric_acid","bmse000025",2,182.958,3.11
"D_threo_isocitric_acid","bmse000025",3,76.3916,11.16
"D_threo_isocitric_acid","bmse000025",4,51.8047,12.5
"D_threo_isocitric_acid","bmse000025",5,40.3285,10.98
"D_xylulose","bmse000027",1,108.4502,1.01
"D_xylulose","bmse000027",2,105.6511,3.08
"D_xylulose","bmse000027",3,83.18,3.1
"D_xylulose","bmse000027",4,78.9065,11.61
"D_xylulose","bmse000027",5,78.5426,3.96
"D_xylulose","bmse000027",6,78.011,2.93
"D_xylulose","bmse000027",7,77.5565,9.89
"D_xylulose","bmse000027",8,74.6749,2.45
"D_xylulose","bmse000027",9,74.6163,2.47
"D_xylulose","bmse000027",10,72.5201,10.76
"D_xylulose","bmse000027",11,68.7345,3.03
"D_xylulose","bmse000027",12,65.6799,12.5
"D_xylulose","bmse000027",13,65.1062,3.07
"D_xylulose","bmse000027",14,64.5556,3.06
"fumaric_acid","bmse000083",1,177.424,1.91
"fumaric_acid","bmse000083",2,138.042,12.5
"gluconic_acid","bmse000084",1,181.3386,1.89
"gluconic_acid","bmse000084",2,76.7743,10.33
"gluconic_acid","bmse000084",3,75.2613,9.8
"gluconic_acid","bmse000084",4,73.8705,12.36
"gluconic_acid","bmse000084",5,73.6525,10.2
"gluconic_acid","bmse000084",6,65.308,12.5
"alpha_D_glucose_1_phosphate","bmse000086",1,96.3867,5.99
"alpha_D_glucose_1_phosphate","bmse000086",2,96.3335,6.2
"alpha_D_glucose_1_phosphate","bmse000086",3,75.8391,10.34
"alpha_D_glucose_1_phosphate","bmse000086",4,74.9392,5.94
"alpha_D_glucose_1_phosphate","bmse000086",5,74.871,6.51
"alpha_D_glucose_1_phosphate","bmse000086",6,74.7037,12.5
"alpha_D_glucose_1_phosphate","bmse000086",7,72.4482,11.49
"alpha_D_glucose_1_phosphate","bmse000086",8,63.3999,9.58
"alpha_D_glucose_1_6_bisphosphate","bmse000087",1,96.6014,6.13
"alpha_D_glucose_1_6_bisphosphate","bmse000087",2,96.5465,7.96
"alpha_D_glucose_1_6_bisphosphate","bmse000087",3,75.3449,11.03
"alpha_D_glucose_1_6_bisphosphate","bmse000087",4,75.0612,6.57
"alpha_D_glucose_1_6_bisphosphate","bmse000087",5,74.9873,7.68
"alpha_D_glucose_1_6_bisphosphate","bmse000087",6,74.3802,6.65
"alpha_D_glucose_1_6_bisphosphate","bmse000087",7,74.317,7.4
"alpha_D_glucose_1_6_bisphosphate","bmse000087",8,71.5781,12.5
"alpha_D_glucose_1_6_bisphosphate","bmse000087",9,65.3993,4.84
"alpha_D_glucose_1_6_bisphosphate","bmse000087",10,65.3536,5.06
"glycine","bmse000089",1,175.1557,1.97
"glycine","bmse000089",2,44.1252,12.5
"guanine","bmse000090",1,170.3632,9.04
"guanine","bmse000090",2,163.6535,12.5
"guanine","bmse000090",3,161.8796,11.9
"guanine","bmse000090",4,120.9619,9.12
"guanosine","bmse000091",1,170.5025,1.71
"guanosine","bmse000091",2,163.3657,1.47
"guanosine","bmse000091",3,153.5645,2.67
"guanosine","bmse000091",4,139.3656,9.14
"guanosine","bmse000091",5,121.0084,1.46
"guanosine","bmse000091",6,90.841,11.95
"guanosine","bmse000091",7,88.5938,12.21
"guanosine","bmse000091",8,75.8197,12.21
"guanosine","bmse000091",9,73.7609,12.5
"guanosine","bmse000091",10,64.5009,9.96
"4_hydroxybenzoic_acid","bmse000092",1,161.2131,1.26
"4_hydroxybenzoic_acid","bmse000092",2,133.942,12.5
"4_hydroxybenzoic_acid","bmse000092",3,130.8287,1.62
"4_hydroxybenzoic_acid","bmse000092",4,117.592,10.22
"trans_3_hydroxycinnamic_acid","bmse000093",1,178.4192,2.27
"trans_3_hydroxycinnamic_acid","bmse000093",2,158.5422,3.6
"trans_3_hydroxycinnamic_acid","bmse000093",3,143.1901,8.95
"trans_3_hydroxycinnamic_acid","bmse000093",4,139.6042,3.48
"trans_3_hydroxycinnamic_acid","bmse000093",5,133.0298,11.46
"trans_3_hydroxycinnamic_acid","bmse000093",6,127.174,8.41
"trans_3_hydroxycinnamic_acid","bmse000093",7,122.9365,12.5
"trans_3_hydroxycinnamic_acid","bmse000093",8,119.3249,10.36
"trans_3_hydroxycinnamic_acid","bmse000093",9,116.6163,10.36
"hypoxanthine","bmse000094",1,164.9523,1.17
"hypoxanthine","bmse000094",2,159.7264,2.08
"hypoxanthine","bmse000094",3,150.37,10.69
"hypoxanthine","bmse000094",4,149.1756,12.5
"hypoxanthine","bmse000094",5,123.2364,1.06
"imidazole","bmse000096",1,137.7708,3.03
"imidazole","bmse000096",2,123.4233,12.5
"indole","bmse000097",1,138.3981,1.25
"indole","bmse000097",2,130.4755,1.24
"indole","bmse000097",3,126.7831,8.65
"indole","bmse000097",4,124.6229,12.5
"indole","bmse000097",5,123.3758,10.66
"indole","bmse000097",6,122.4493,10.48
"indole","bmse000097",7,113.6756,9.74
"indole","bmse000097",8,105.2378,11.58
"inosine","bmse000098",1,151.078,2.3
"inosine","bmse000098",2,148.9185,8.98
"inosine","bmse000098",3,142.8874,7.4
"inosine","bmse000098",4,126.8411,1.65
"inosine","bmse000098",5,91.1086,8.08
"inosine","bmse000098",6,88.2694,11.43
"inosine","bmse000098",7,76.7759,12.5
"inosine","bmse000098",8,73.0828,10.32
"inosine","bmse000098",9,64.0173,8.72
"i_erythritol","bmse000095",1,74.6148,12.5
"i_erythritol","bmse000095",2,65.3077,8.45
"L_alanine","bmse000028",1,178.5574,1.16
"L_alanine","bmse000028",2,53.2035,9.48
"L_alanine","bmse000028",3,18.8465,12.5
"L_arginine","bmse000029",1,177.2125,3.21
"L_arginine","bmse000029",2,57.0216,10.14
"L_arginine","bmse000029",3,43.2011,12.5
"L_arginine","bmse000029",4,30.2885,11.19
"L_arginine","bmse000029",5,26.5758,9.54
"L_asparagine","bmse000030",1,177.1771,1.47
"L_asparagine","bmse000030",2,176.209,1.94
"L_asparagine","bmse000030",3,53.9932,12.5
"L_asparagine","bmse000030",4,37.2983,11.26
"L_aspartic_acid","bmse000031",1,180.297,3.41
"L_aspartic_acid","bmse000031",2,176.9954,2.67
"L_aspartic_acid","bmse000031",3,54.9142,11.68
"L_aspartic_acid","bmse000031",4,39.2604,12.5
"L_citrulline","bmse000032",1,177.3878,3.15
"L_citrulline","bmse000032",2,164.2805,1.25
"L_citrulline","bmse000032",3,57.2048,11.84
"L_citrulline","bmse000032",4,41.9551,1.88
"L_citrulline","bmse000032",5,30.4444,12.5
"L_citrulline","bmse000032",6,27.6682,7.93
"L_cystathionine","bmse000033",1,56.4392,8
"L_cystathionine","bmse000033",2,56.2614,10.81
"L_cystathionine","bmse000033",3,34.8058,9.84
"L_cystathionine","bmse000033",4,32.8913,9.2
"L_cystathionine","bmse000033",5,29.7625,12.5
"L_cysteine","bmse000034",1,58.731,9.48
"L_cysteine","bmse000034",2,27.687,12.5
"L_cystine","bmse000035",1,183.331,3.03
"L_cystine","bmse000035",2,57.5783,12.5
"L_cystine","bmse000035",3,46.0281,10.99
"L_fucose","bmse000036",1,98.936,11.78
"L_fucose","bmse000036",2,94.9206,4.76
"L_fucose","bmse000036",3,75.6252,9.59
"L_fucose","bmse000036",4,74.6014,4.86
"L_fucose","bmse000036",5,74.3627,10.92
"L_fucose","bmse000036",6,74.1543,8.8
"L_fucose","bmse000036",7,73.586,9.85
"L_fucose","bmse000036",8,71.9701,4.6
"L_fucose","bmse000036",9,70.7832,3.67
"L_fucose","bmse000036",10,69.0314,4.4
"L_fucose","bmse000036",11,18.2232,12.5
"L_glutamic_acid","bmse000037",1,184.0438,2.16
"L_glutamic_acid","bmse000037",2,177.297,1.79
"L_glutamic_acid","bmse000037",3,57.3356,12.29
"L_glutamic_acid","bmse000037",4,36.1753,9.58
"L_glutamic_acid","bmse000037",5,29.6742,12.5
"L_glutamine","bmse000038",1,180.3694,1.86
"L_glutamine","bmse000038",2,176.8264,2.47
"L_glutamine","bmse000038",3,56.8326,9.96
"L_glutamine","bmse000038",4,33.528,10.99
"L_glutamine","bmse000038",5,28.9528,12.5
"L_histidine","bmse000039",1,176.6511,1.83
"L_histidine","bmse000039",2,138.9728,9.16
"L_histidine","bmse000039",3,134.6686,2.25
"L_histidine","bmse000039",4,119.5492,8.47
"L_histidine","bmse000039",5,57.4737,12.5
"L_histidine","bmse000039",6,30.7804,11.71
"L_homoserine","bmse000040",1,177.2374,1.7
"L_homoserine","bmse000040",2,61.3363,12.5
"L_homoserine","bmse000040",3,56.0719,8.39
"L_homoserine","bmse000040",4,34.8823,11.17
"L_isoleucine","bmse000041",1,176.9223,1.89
"L_isoleucine","bmse000041",2,62.2493,12.5
"L_isoleucine","bmse000041",3,38.5957,9.56
"L_isoleucine","bmse000041",4,27.1531,12.15
"L_isoleucine","bmse000041",5,17.3893,8.4
"L_isoleucine","bmse000041",6,13.8035,7.76
"L_leucine","bmse000042",1,178.3284,2.9
"L_leucine","bmse000042",2,56.1175,11.06
"L_leucine","bmse000042",3,42.5151,11.41
"L_leucine","bmse000042",4,26.8579,12.5
"L_leucine","bmse000042",5,24.7283,9.43
"L_leucine","bmse000042",6,23.5808,12.45
"L_lysine","bmse000043",1,177.4077,2.58
"L_lysine","bmse000043",2,57.1969,9.77
"L_lysine","bmse000043",3,41.7595,10.04
"L_lysine","bmse000043",4,32.6068,10.59
"L_lysine","bmse000043",5,29.1125,12.5
"L_lysine","bmse000043",6,24.1325,10.95
"malic_acid","bmse000046",1,183.7669,2.25
"malic_acid","bmse000046",2,182.5706,2
"malic_acid","bmse000046",3,73.0495,9.52
"malic_acid","bmse000046",4,45.3174,12.5
"L_methionine","bmse000044",1,177.0256,1.63
"L_methionine","bmse000044",2,56.5949,11.7
"L_methionine","bmse000044",3,32.3948,11.02
"L_methionine","bmse000044",4,31.5117,12.5
"L_methionine","bmse000044",5,16.6207,5.66
"L_phenylalanine","bmse000045",1,137.8245,2.32
"L_phenylalanine","bmse000045",2,132.08,12.5
"L_phenylalanine","bmse000045",3,131.8234,9.6
"L_phenylalanine","bmse000045",4,130.4017,5.37
"L_phenylalanine","bmse000045",5,58.7477,5.25
"L_phenylalanine","bmse000045",6,39.0993,5.55
"L_proline","bmse000047",1,177.4144,1.3
"L_proline","bmse000047",2,63.9229,11.05
"L_proline","bmse000047",3,48.7631,9.32
"L_proline","bmse000047",4,31.6863,12.5
"L_proline","bmse000047",5,26.4548,9.6
"L_serine","bmse000048",1,62.8928,12.5
"L_serine","bmse000048",2,59.0815,8.62
"L_threonine","bmse000049",1,175.6411,1.16
"L_threonine","bmse000049",2,68.6408,12.03
"L_threonine","bmse000049",3,63.1368,12.5
"L_threonine","bmse000049",4,22.1352,12.2
"L_tryptophan","bmse000050",1,177.255,2.71
"L_tryptophan","bmse000050",2,139.0401,1.59
"L_tryptophan","bmse000050",3,129.3512,1.89
"L_tryptophan","bmse000050",4,127.7463,10.84
"L_tryptophan","bmse000050",5,124.8346,12.27
"L_tryptophan","bmse000050",6,122.1638,12.5
"L_tryptophan","bmse000050",7,121.1566,12.38
"L_tryptophan","bmse000050",8,114.6587,10.23
"L_tryptophan","bmse000050",9,110.1782,4.04
"L_tryptophan","bmse000050",10,57.7537,11.28
"L_tryptophan","bmse000050",11,29.1016,11.57
"L_tyrosine","bmse000051",1,184.1279,1.35
"L_tyrosine","bmse000051",2,163.7886,1.13
"L_tyrosine","bmse000051",3,133.3998,10.61
"L_tyrosine","bmse000051",4,128.0459,2.21
"L_tyrosine","bmse000051",5,120.2955,12.5
"L_tyrosine","bmse000051",6,60.0412,5.12
"L_tyrosine","bmse000051",7,41.8233,4.45
"L_valine","bmse000052",1,63.0706,10.1
"L_valine","bmse000052",2,31.7958,11.73
"L_valine","bmse000052",3,20.6547,12.29
"L_valine","bmse000052",4,19.3267,12.5
"D_mannitol","bmse000099",1,73.4901,12.5
"D_mannitol","bmse000099",2,71.9258,8.62
"D_mannitol","bmse000099",3,65.9197,11.81
"meso_erythritol","bmse000100",1,74.6159,12.5
"meso_erythritol","bmse000100",2,65.309,8.37
"methyl_oxobutanoic_acid","bmse000101",1,39.7045,5.48
"methyl_oxobutanoic_acid","bmse000101",2,19.0607,12.5
"muco_inositol","bmse000102",1,75.0137,6.8
"muco_inositol","bmse000102",2,72.8728,12.5
"myo_inositol","bmse000103",1,77.0519,5.9
"myo_inositol","bmse000103",2,75.1054,12.5
"myo_inositol","bmse000103",3,74.8867,4.4
"myo_inositol","bmse000103",4,73.8316,10.8
"NAD","bmse000053",1,167.8653,3.69
"NAD","bmse000053",2,158.0181,4.21
"NAD","bmse000053",3,155.468,8.5
"NAD","bmse000053",4,151.5966,5.8
"NAD","bmse000053",5,148.4441,6.77
"NAD","bmse000053",6,145.0618,5.64
"NAD","bmse000053",7,142.6338,5.11
"NAD","bmse000053",8,142.3914,7.13
"NAD","bmse000053",9,136.3277,6.28
"NAD","bmse000053",10,131.3233,7.72
"NAD","bmse000053",11,121.0165,3.15
"NAD","bmse000053",12,102.7367,9.04
"NAD","bmse000053",13,89.7361,5.45
"NAD","bmse000053",14,89.6488,5.15
"NAD","bmse000053",15,89.3547,10.54
"NAD","bmse000053",16,86.5859,5.25
"NAD","bmse000053",17,86.4979,5.24
"NAD","bmse000053",18,80.3065,12.5
"NAD","bmse000053",19,76.6526,12.24
"NAD","bmse000053",20,73.2929,11.75
"NAD","bmse000053",21,73.0829,11.48
"NAD","bmse000053",22,68.1579,4.36
"NAD","bmse000053",23,68.1059,4.27
"NAD","bmse000053",24,67.6491,4.7
"NAD","bmse000053",25,67.5973,4.24
"NADH","bmse000054",1,175.3474,5.48
"NADH","bmse000054",2,158.1968,4.24
"NADH","bmse000054",3,155.4171,8.83
"NADH","bmse000054",4,151.5844,5.71
"NADH","bmse000054",5,142.3515,6.8
"NADH","bmse000054",6,141.1257,9.71
"NADH","bmse000054",7,126.4094,7.79
"NADH","bmse000054",8,121.2963,4.16
"NADH","bmse000054",9,108.0387,9.52
"NADH","bmse000054",10,102.5371,7.01
"NADH","bmse000054",11,97.7448,9.22
"NADH","bmse000054",12,89.7936,11.06
"NADH","bmse000054",13,86.3582,5.51
"NADH","bmse000054",14,85.0981,5.6
"NADH","bmse000054",15,77.2518,12.23
"NADH","bmse000054",16,73.4643,12.14
"NADH","bmse000054",17,73.2824,12.5
"NADH","bmse000054",18,72.9239,9.04
"NADH","bmse000054",19,68.6321,4.65
"NADH","bmse000054",20,67.8556,4.52
"NADH","bmse000054",21,24.5551,8.23
"NADH","bmse000054",22,19.5029,3.45
"NADPH","bmse000055",1,175.4549,3.91
"NADPH","bmse000055",2,158.2562,4.4
"NADPH","bmse000055",3,155.3726,8.4
"NADPH","bmse000055",4,151.6612,4.78
"NADPH","bmse000055",5,142.7666,6.52
"NADPH","bmse000055",6,141.0746,8.37
"NADPH","bmse000055",7,126.4637,8.6
"NADPH","bmse000055",8,108.0154,8.41
"NADPH","bmse000055",9,102.5834,6.37
"NADPH","bmse000055",10,97.6847,9.4
"NADPH","bmse000055",11,89.5671,4.71
"NADPH","bmse000055",12,89.4832,4.7
"NADPH","bmse000055",13,85.6232,4.52
"NADPH","bmse000055",14,85.136,4.45
"NADPH","bmse000055",15,79.2632,4.94
"NADPH","bmse000055",16,73.4756,12.5
"NADPH","bmse000055",17,73.324,11.5
"NADPH","bmse000055",18,72.7309,8.21
"NADPH","bmse000055",19,68.5416,4.39
"NADPH","bmse000055",20,67.9571,5.25
"NADPH","bmse000055",21,24.6213,6.74
"niacin","bmse000104",1,176.0593,0.88
"niacin","bmse000104",2,153.1473,12.5
"niacin","bmse000104",3,151.7346,9.43
"niacin","bmse000104",4,140.3918,11.16
"niacin","bmse000104",5,135.0395,2.37
"niacin","bmse000104",6,126.6461,10.94
"nicotine","bmse000105",1,152.9553,11.86
"nicotine","bmse000105",2,151.8079,8.39
"nicotine","bmse000105",3,139.9786,11.24
"nicotine","bmse000105",4,132.2848,2.82
"nicotine","bmse000105",5,127.6138,11.08
"nicotine","bmse000105",6,72.3903,8.23
"nicotine","bmse000105",7,58.7754,9.8
"nicotine","bmse000105",8,40.9138,11.41
"nicotine","bmse000105",9,33.0757,8.96
"nicotine","bmse000105",10,24.2203,12.5
"N_acetylneuraminic_acid","bmse000057",1,179.4931,2.99
"N_acetylneuraminic_acid","bmse000057",2,177.4691,5.36
"N_acetylneuraminic_acid","bmse000057",3,99.1066,6.81
"N_acetylneuraminic_acid","bmse000057",4,73.0136,10.35
"N_acetylneuraminic_acid","bmse000057",5,72.9084,11.02
"N_acetylneuraminic_acid","bmse000057",6,71.2583,9.48
"N_acetylneuraminic_acid","bmse000057",7,70.0063,10.08
"N_acetylneuraminic_acid","bmse000057",8,66.0063,10.13
"N_acetylneuraminic_acid","bmse000057",9,54.9693,12.5
"N_acetylneuraminic_acid","bmse000057",10,42.0905,8.84
"N_acetylneuraminic_acid","bmse000057",11,24.8195,11.34
"N_acetyl_D_mannosamine","bmse000056",1,178.4248,1.93
"N_acetyl_D_mannosamine","bmse000056",2,177.4968,2.6
"N_acetyl_D_mannosamine","bmse000056",3,95.8209,8.31
"N_acetyl_D_mannosamine","bmse000056",4,95.688,9.13
"N_acetyl_D_mannosamine","bmse000056",5,79.0399,10.23
"N_acetyl_D_mannosamine","bmse000056",6,74.7525,9.08
"N_acetyl_D_mannosamine","bmse000056",7,74.6939,8.91
"N_acetyl_D_mannosamine","bmse000056",8,71.5593,11.26
"N_acetyl_D_mannosamine","bmse000056",9,69.4618,11.11
"N_acetyl_D_mannosamine","bmse000056",10,69.1894,8.23
"N_acetyl_D_mannosamine","bmse000056",11,63.0714,12.5
"N_acetyl_D_mannosamine","bmse000056",12,56.7834,6.76
"N_acetyl_D_mannosamine","bmse000056",13,55.9143,11.74
"N_acetyl_D_mannosamine","bmse000056",14,24.7467,6.42
"N_acetyl_D_mannosamine","bmse000056",15,24.6103,7.83
"oxalate","bmse000106",1,176.1386,12.5
"O_succinyl_L_homoserine","bmse000058",1,183.8863,2.56
"O_succinyl_L_homoserine","bmse000058",2,178.3647,2.14
"O_succinyl_L_homoserine","bmse000058",3,176.7702,2.64
"O_succinyl_L_homoserine","bmse000058",4,64.4599,9.53
"O_succinyl_L_homoserine","bmse000058",5,55.5165,8.79
"O_succinyl_L_homoserine","bmse000058",6,35.6935,1.47
"O_succinyl_L_homoserine","bmse000058",7,34.6435,11.39
"O_succinyl_L_homoserine","bmse000058",8,33.1998,12.5
"O_succinyl_L_homoserine","bmse000058",9,32.0477,7.9
"phosphoenolpyruvic_acid","bmse000107",1,152.4983,4.37
"phosphoenolpyruvic_acid","bmse000107",2,152.4267,2.42
"phosphoenolpyruvic_acid","bmse000107",3,102.8677,10.91
"phosphoenolpyruvic_acid","bmse000107",4,102.8401,12.5
"prephenic_acid","bmse000108",1,134.012,12.19
"prephenic_acid","bmse000108",2,130.3553,12.5
"prephenic_acid","bmse000108",3,64.0727,7.77
"prephenic_acid","bmse000108",4,51.2462,2.5
"prephenic_acid","bmse000108",5,50.6545,5.86
"putrescine","bmse000109",1,41.551,11.73
"putrescine","bmse000109",2,26.5984,12.5
"pyridoxal","bmse000110",1,161.5671,1.78
"pyridoxal","bmse000110",2,148.0785,2.3
"pyridoxal","bmse000110",3,140.9568,3.28
"pyridoxal","bmse000110",4,139.5279,4.52
"pyridoxal","bmse000110",5,120.0727,6.07
"pyridoxal","bmse000110",6,102.0212,10.48
"pyridoxal","bmse000110",7,72.5072,12.5
"pyridoxal","bmse000110",8,17.5108,7.09
"pyridoxal_5_phosphate","bmse000111",1,198.7901,4.06
"pyridoxal_5_phosphate","bmse000111",2,154.2739,7.56
"pyridoxal_5_phosphate","bmse000111",3,139.0553,2.73
"pyridoxal_5_phosphate","bmse000111",4,138.9802,2.7
"pyridoxal_5_phosphate","bmse000111",5,128.8539,3.48
"pyridoxal_5_phosphate","bmse000111",6,126.7748,3.24
"pyridoxal_5_phosphate","bmse000111",7,91.4524,2.95
"pyridoxal_5_phosphate","bmse000111",8,64.4322,9.86
"pyridoxal_5_phosphate","bmse000111",9,64.3954,7.79
"pyridoxal_5_phosphate","bmse000111",10,18.7125,12.5
"pyridoxal_5_phosphate","bmse000111",11,17.3618,2.26
"pyridoxamine","bmse000130",1,165.5851,1.63
"pyridoxamine","bmse000130",2,148.1236,2.38
"pyridoxamine","bmse000130",3,138.2661,5.06
"pyridoxamine","bmse000130",4,134.7636,2.63
"pyridoxamine","bmse000130",5,126.6506,8.52
"pyridoxamine","bmse000130",6,61.8257,9.73
"pyridoxamine","bmse000130",7,39.2287,12.5
"pyridoxamine","bmse000130",8,18.1093,10.27
"pyridoxamine_5_phosphate","bmse000131",1,165.6996,3.42
"pyridoxamine_5_phosphate","bmse000131",2,147.3396,4.49
"pyridoxamine_5_phosphate","bmse000131",3,137.5932,4.37
"pyridoxamine_5_phosphate","bmse000131",4,137.5201,3.66
"pyridoxamine_5_phosphate","bmse000131",5,135.8735,6.9
"pyridoxamine_5_phosphate","bmse000131",6,125.9833,8.38
"pyridoxamine_5_phosphate","bmse000131",7,64.3374,8.14
"pyridoxamine_5_phosphate","bmse000131",8,64.2962,7.45
"pyridoxamine_5_phosphate","bmse000131",9,38.955,12.5
"pyridoxamine_5_phosphate","bmse000131",10,17.7372,11.91
"scyllo_inositol","bmse000113",1,76.2821,12.5
"shikimic_acid","bmse000114",1,178.0757,1.84
"shikimic_acid","bmse000114",2,138.7121,3.69
"shikimic_acid","bmse000114",3,133.2065,8.63
"shikimic_acid","bmse000114",4,74.7462,8.91
"shikimic_acid","bmse000114",5,69.5201,11.73
"shikimic_acid","bmse000114",6,68.9871,12.5
"shikimic_acid","bmse000114",7,35.3685,8.86
"D_sorbitol","bmse000115",1,75.6364,11.8
"D_sorbitol","bmse000115",2,73.7844,11.91
"D_sorbitol","bmse000115",3,73.6628,11.46
"D_sorbitol","bmse000115",4,72.3478,12.5
"D_sorbitol","bmse000115",5,65.5074,7.86
"D_sorbitol","bmse000115",6,65.1126,9.65
"spermidine","bmse000116",1,49.7685,12.5
"spermidine","bmse000116",2,47.255,9.6
"spermidine","bmse000116",3,41.5152,10.94
"spermidine","bmse000116",4,39.2998,10.61
"spermidine","bmse000116",5,26.64,10.09
"spermidine","bmse000116",6,26.5227,9.51
"spermidine","bmse000116",7,25.4882,11.59
"spermine","bmse000117",1,50.4642,10.16
"spermine","bmse000117",2,48.3361,12.5
"spermine","bmse000117",3,40.6981,12.1
"spermine","bmse000117",4,30.823,7.1
"spermine","bmse000117",5,27.6835,10.97
"succinic_acid","bmse000118",1,185.1648,1.78
"succinic_acid","bmse000118",2,36.8897,12.5
"sucrose","bmse000119",1,106.3887,6.15
"sucrose","bmse000119",2,94.8829,11.39
"sucrose","bmse000119",3,84.0666,11.94
"sucrose","bmse000119",4,79.0967,11.54
"sucrose","bmse000119",5,76.6892,12.13
"sucrose","bmse000119",6,75.2562,11.56
"sucrose","bmse000119",7,75.107,12.4
"sucrose","bmse000119",8,73.7694,11.94
"sucrose","bmse000119",9,71.9114,12.5
"sucrose","bmse000119",10,65.0741,11.11
"sucrose","bmse000119",11,64.0305,10.38
"sucrose","bmse000119",12,62.8059,9.96
"S_adenosyl_L_methionine","bmse000059",1,177.2049,1.06
"S_adenosyl_L_methionine","bmse000059",2,175.5374,3.57
"S_adenosyl_L_methionine","bmse000059",3,158.2573,4.07
"S_adenosyl_L_methionine","bmse000059",4,158.1473,1.23
"S_adenosyl_L_methionine","bmse000059",5,155.5574,8.68
"S_adenosyl_L_methionine","bmse000059",6,155.4871,3.71
"S_adenosyl_L_methionine","bmse000059",7,154.9459,1.28
"S_adenosyl_L_methionine","bmse000059",8,151.4918,1.4
"S_adenosyl_L_methionine","bmse000059",9,151.3094,4.84
"S_adenosyl_L_methionine","bmse000059",10,143.3489,7.53
"S_adenosyl_L_methionine","bmse000059",11,142.6447,2.96
"S_adenosyl_L_methionine","bmse000059",12,121.7408,3.05
"S_adenosyl_L_methionine","bmse000059",13,91.8,12.5
"S_adenosyl_L_methionine","bmse000059",14,90.1262,1.08
"S_adenosyl_L_methionine","bmse000059",15,90.0407,3.67
"S_adenosyl_L_methionine","bmse000059",16,85.9474,3.7
"S_adenosyl_L_methionine","bmse000059",17,81.4782,2.83
"S_adenosyl_L_methionine","bmse000059",18,80.8642,9.06
"S_adenosyl_L_methionine","bmse000059",19,76.1774,4.19
"S_adenosyl_L_methionine","bmse000059",20,75.6933,3.46
"S_adenosyl_L_methionine","bmse000059",21,75.4417,10.55
"S_adenosyl_L_methionine","bmse000059",22,75.2896,11.21
"S_adenosyl_L_methionine","bmse000059",23,75.2102,3.9
"S_adenosyl_L_methionine","bmse000059",24,75.0576,4.66
"S_adenosyl_L_methionine","bmse000059",25,61.3914,4.52
"S_adenosyl_L_methionine","bmse000059",26,60.181,3.6
"S_adenosyl_L_methionine","bmse000059",27,56.1328,4.11
"S_adenosyl_L_methionine","bmse000059",28,55.5398,11.64
"S_adenosyl_L_methionine","bmse000059",29,55.4732,3.85
"S_adenosyl_L_methionine","bmse000059",30,51.6245,1.02
"S_adenosyl_L_methionine","bmse000059",31,47.0027,7.3
"S_adenosyl_L_methionine","bmse000059",32,41.6503,2.53
"S_adenosyl_L_methionine","bmse000059",33,41.5608,8
"S_adenosyl_L_methionine","bmse000059",34,39.296,1.04
"S_adenosyl_L_methionine","bmse000059",35,38.5747,3.27
"S_adenosyl_L_methionine","bmse000059",36,34.9032,4.07
"S_adenosyl_L_methionine","bmse000059",37,28.138,8.12
"S_adenosyl_L_methionine","bmse000059",38,27.9802,2.58
"S_adenosyl_L_methionine","bmse000059",39,26.5384,1.05
"S_adenosyl_L_methionine","bmse000059",40,26.4688,3.89
"S_adenosyl_L_methionine","bmse000059",41,26.1398,11.37
"S_adenosyl_L_methionine","bmse000059",42,19.5416,3.82
"S_adenosyl_L_methionine","bmse000059",43,18.0425,2.93
"taurine","bmse000120",1,50.2124,12.5
"taurine","bmse000120",2,38.0682,11.7
"L_threitol","bmse000121",1,74.3047,12.5
"L_threitol","bmse000121",2,65.3263,12.42
"trans_4_hydroxy_L_proline","bmse000123",1,177.0263,1.29
"trans_4_hydroxy_L_proline","bmse000123",2,72.7686,12.34
"trans_4_hydroxy_L_proline","bmse000123",3,62.5265,8.41
"trans_4_hydroxy_L_proline","bmse000123",4,55.643,12.5
"trans_4_hydroxy_L_proline","bmse000123",5,40.1298,9.82
"trans_cinnamic_acid","bmse000124",1,143.5556,4.31
"trans_cinnamic_acid","bmse000124",2,137.8775,1.34
"trans_cinnamic_acid","bmse000124",3,132.3324,6.15
"trans_cinnamic_acid","bmse000124",4,131.6902,9.94
"trans_cinnamic_acid","bmse000124",5,130.4135,12.5
"trans_cinnamic_acid","bmse000124",6,126.8267,3.92
"D_trehalose","bmse000125",1,95.9171,12.5
"D_trehalose","bmse000125",2,75.2081,11.88
"D_trehalose","bmse000125",3,74.8491,10.1
"D_trehalose","bmse000125",4,73.7422,9.97
"D_trehalose","bmse000125",5,72.3894,11.58
"D_trehalose","bmse000125",6,63.2132,8.55
"uric_acid","bmse000126",1,167.6653,6.04
"uric_acid","bmse000126",2,165.3393,12.5
"uric_acid","bmse000126",3,162.2146,6.72
"uric_acid","bmse000126",4,156.4958,8.87
"uric_acid","bmse000126",5,104.5779,6.55
"xanthine","bmse000127",1,163.3303,1.9
"xanthine","bmse000127",2,161.9958,1.23
"xanthine","bmse000127",3,158.0123,1.54
"xanthine","bmse000127",4,142.7225,12.5
"xanthine","bmse000127",5,116.2503,1.15
"xanthosine","bmse000128",1,163.7475,1.41
"xanthosine","bmse000128",2,162.2764,1.3
"xanthosine","bmse000128",3,155.8547,2.56
"xanthosine","bmse000128",4,140.0607,9.27
"xanthosine","bmse000128",5,118.2068,1.28
"xanthosine","bmse000128",6,90.6608,11.73
"xanthosine","bmse000128",7,88.5324,12.41
"xanthosine","bmse000128",8,75.9737,12.5
"xanthosine","bmse000128",9,73.5577,11.03
"xanthosine","bmse000128",10,64.3556,8.81
"xylitol","bmse000129",1,74.6275,11.33
"xylitol","bmse000129",2,73.4743,6.7
"xylitol","bmse000129",3,65.3143,12.5
"tyramine","bmse000243",1,157.2984,1.41
"tyramine","bmse000243",2,132.9956,12.5
"tyramine","bmse000243",3,131.1649,2.03
"tyramine","bmse000243",4,118.5125,12.18
"tyramine","bmse000243",5,43.4518,5.34
"tyramine","bmse000243",6,34.6329,6.06
"L_carnosine","bmse000246",1,180.2008,3.84
"L_carnosine","bmse000246",2,174.3323,4.86
"L_carnosine","bmse000246",3,137.5197,9.53
"L_carnosine","bmse000246",4,134.6631,4.69
"L_carnosine","bmse000246",5,119.8491,10.48
"L_carnosine","bmse000246",6,57.5784,11.65
"L_carnosine","bmse000246",7,38.3703,11.44
"L_carnosine","bmse000246",8,34.7671,12.5
"L_carnosine","bmse000246",9,30.9947,9.98
"glycolate","bmse000245",1,182.6562,5.25
"glycolate","bmse000245",2,63.9098,12.5
"1_3_dimethylurea","bmse000248",1,29.1399,12.5
"D_glucosamine","bmse000247",1,96.7337,8.51
"D_glucosamine","bmse000247",2,92.4167,12.41
"D_glucosamine","bmse000247",3,78.843,9.89
"D_glucosamine","bmse000247",4,75.8685,8.3
"D_glucosamine","bmse000247",5,74.3489,12.5
"D_glucosamine","bmse000247",6,72.9419,11.22
"D_glucosamine","bmse000247",7,72.4037,9.8
"D_glucosamine","bmse000247",8,72.3301,12.04
"D_glucosamine","bmse000247",9,63.2894,7.62
"D_glucosamine","bmse000247",10,63.0782,11.08
"D_glucosamine","bmse000247",11,59.6847,8.44
"D_glucosamine","bmse000247",12,57.1428,11.73
"isethionic_acid","bmse000242",1,59.6397,12.02
"isethionic_acid","bmse000242",2,55.5295,12.5
"N_N_dimethylglycine","bmse000241",1,62.5717,6.55
"N_N_dimethylglycine","bmse000241",2,46.2286,12.5
"dihydroxyacetone","bmse000144",1,214.7833,3.78
"dihydroxyacetone","bmse000144",2,97.773,1.6
"dihydroxyacetone","bmse000144",3,66.2429,12.5
"N_acetyl_L_glutamine","bmse000145",1,181.3622,2.37
"N_acetyl_L_glutamine","bmse000145",2,181.1277,3.44
"N_acetyl_L_glutamine","bmse000145",3,176.3862,3.32
"N_acetyl_L_glutamine","bmse000145",4,57.3658,12.5
"N_acetyl_L_glutamine","bmse000145",5,34.4405,9.75
"N_acetyl_L_glutamine","bmse000145",6,30.4549,10.18
"N_acetyl_L_glutamine","bmse000145",7,24.6247,9.17
"ADA","bmse000146",1,180.0279,1.66
"ADA","bmse000146",2,60.0622,12.5
"ADA","bmse000146",3,59.955,1.44
"4_aminoantipyrine","bmse000147",1,144.7673,1.72
"4_aminoantipyrine","bmse000147",2,135.763,1.74
"4_aminoantipyrine","bmse000147",3,132.3952,12.5
"4_aminoantipyrine","bmse000147",4,131.8174,5.85
"4_aminoantipyrine","bmse000147",5,129.3212,12.35
"4_aminoantipyrine","bmse000147",6,37.2322,4.81
"4_aminoantipyrine","bmse000147",7,11.7408,4.42
"acetylcarnitine","bmse000142",1,179.354,4.03
"acetylcarnitine","bmse000142",2,175.4615,4.06
"acetylcarnitine","bmse000142",3,70.835,4.53
"acetylcarnitine","bmse000142",4,69.5734,12.5
"acetylcarnitine","bmse000142",5,56.5103,12.2
"acetylcarnitine","bmse000142",6,42.9071,9.73
"acetylcarnitine","bmse000142",7,23.3168,9.11
"5_acetylamido_2_chloroaniline","bmse000143",1,139.2064,3.06
"5_acetylamido_2_chloroaniline","bmse000143",2,132.3826,12.5
"5_acetylamido_2_chloroaniline","bmse000143",3,116.2078,11.5
"5_acetylamido_2_chloroaniline","bmse000143",4,112.9825,11.85
"5_acetylamido_2_chloroaniline","bmse000143",5,25.522,8.76
"uracil","bmse000187",1,170.2202,1.35
"uracil","bmse000187",2,146.2032,10.52
"uracil","bmse000187",3,103.7407,12.5
"cytidine","bmse000190",1,168.8862,2.92
"cytidine","bmse000190",2,160.3399,2.39
"cytidine","bmse000190",3,144.3268,8.93
"cytidine","bmse000190",4,98.9421,9.02
"cytidine","bmse000190",5,92.9764,11.59
"cytidine","bmse000190",6,86.4726,11.93
"cytidine","bmse000190",7,76.6665,12.26
"cytidine","bmse000190",8,71.9801,12.5
"cytidine","bmse000190",9,63.4255,9.89
"propionic_acid","bmse000179",1,187.7472,2.27
"propionic_acid","bmse000179",2,33.4143,12.5
"propionic_acid","bmse000179",3,12.8911,11.53
"cytosine","bmse000180",1,170.1095,1.09
"cytosine","bmse000180",2,145.8461,10.28
"cytosine","bmse000180",3,97.8181,12.5
"3_hydroxybutyrate","bmse000161",1,183.1934,2.18
"3_hydroxybutyrate","bmse000161",2,68.3994,9.53
"3_hydroxybutyrate","bmse000161",3,49.2195,12.5
"3_hydroxybutyrate","bmse000161",4,24.4317,11.28
"sarcosine","bmse000160",1,174.1787,1.69
"sarcosine","bmse000160",2,53.5151,12.5
"sarcosine","bmse000160",3,35.3495,10.56
"beta_alanine","bmse000159",1,181.1398,1.61
"beta_alanine","bmse000159",2,39.2339,9.51
"beta_alanine","bmse000159",3,36.2855,12.5
"uridine","bmse000158",1,169.0394,2.54
"uridine","bmse000158",2,154.4569,2.08
"uridine","bmse000158",3,144.529,8.58
"uridine","bmse000158",4,104.9743,9.81
"uridine","bmse000158",5,92.0363,11.1
"uridine","bmse000158",6,86.9005,11.88
"uridine","bmse000158",7,76.3651,11.81
"uridine","bmse000158",8,72.0985,12.5
"uridine","bmse000158",9,63.4211,9.74
"N_acetyl_L_alanine","bmse000157",1,183.142,2.18
"N_acetyl_L_alanine","bmse000157",2,176.0277,2.41
"N_acetyl_L_alanine","bmse000157",3,53.6895,12.5
"N_acetyl_L_alanine","bmse000157",4,24.5618,8.98
"N_acetyl_L_alanine","bmse000157",5,20.0042,11.11
"trimethyl_phosphonoacetate","bmse000156",1,56.6257,8.02
"trimethyl_phosphonoacetate","bmse000156",2,56.5607,8.02
"trimethyl_phosphonoacetate","bmse000156",3,55.9903,12.5
"creatinine","bmse000155",1,191.713,2.26
"creatinine","bmse000155",2,59.1239,12.5
"creatinine","bmse000155",3,58.8527,2.53
"creatinine","bmse000155",4,58.6295,1.96
"creatinine","bmse000155",5,32.9001,9.73
"4_2_aminoethyl_morpholine","bmse000154",1,68.8872,12.21
"4_2_aminoethyl_morpholine","bmse000154",2,56.9694,6.45
"4_2_aminoethyl_morpholine","bmse000154",3,55.1945,12.5
"4_2_aminoethyl_morpholine","bmse000154",4,38.3707,5.31
"L_methionine_methylsulfonium_iodide","bmse000153",1,176.1278,2.46
"L_methionine_methylsulfonium_iodide","bmse000153",2,55.6328,12.37
"L_methionine_methylsulfonium_iodide","bmse000153",3,42.2714,10.53
"L_methionine_methylsulfonium_iodide","bmse000153",4,28.1127,10.06
"L_methionine_methylsulfonium_iodide","bmse000153",5,27.4753,11.87
"L_methionine_methylsulfonium_iodide","bmse000153",6,27.4428,12.5
"trigonelline","bmse000152",1,170.5429,1.63
"trigonelline","bmse000152",2,148.7294,3.53
"trigonelline","bmse000152",3,148.5432,3.12
"trigonelline","bmse000152",4,147.4509,9.81
"trigonelline","bmse000152",5,139.591,3.58
"trigonelline","bmse000152",6,130.3808,12.5
"trigonelline","bmse000152",7,50.9868,3.8
"L_kynurenine","bmse000172",1,202.7838,4.18
"L_kynurenine","bmse000172",2,176.9655,3.82
"L_kynurenine","bmse000172",3,153.0281,3.8
"L_kynurenine","bmse000172",4,138.3201,10.63
"L_kynurenine","bmse000172",5,134.0077,10.47
"L_kynurenine","bmse000172",6,120.7487,12.5
"L_kynurenine","bmse000172",7,120.1347,3.19
"L_kynurenine","bmse000172",8,119.5469,11.71
"L_kynurenine","bmse000172",9,53.4373,9.6
"L_kynurenine","bmse000172",10,53.3893,1.75
"L_kynurenine","bmse000172",11,41.6724,9.4
"4_hydroxyphenethyl_alcohol","bmse000173",1,156.5231,1.3
"4_hydroxyphenethyl_alcohol","bmse000173",2,133.6531,2.03
"4_hydroxyphenethyl_alcohol","bmse000173",3,133.0108,12.05
"4_hydroxyphenethyl_alcohol","bmse000173",4,118.0973,12.5
"4_hydroxyphenethyl_alcohol","bmse000173",5,65.4628,5.4
"4_hydroxyphenethyl_alcohol","bmse000173",6,39.6054,5.27
"L_glutathione_oxidized","bmse000170",1,179.0431,5.08
"L_glutathione_oxidized","bmse000170",2,177.7295,7.27
"L_glutathione_oxidized","bmse000170",3,176.8436,5.71
"L_glutathione_oxidized","bmse000170",4,174.576,7.14
"L_glutathione_oxidized","bmse000170",5,56.7983,12.5
"L_glutathione_oxidized","bmse000170",6,55.2962,6.93
"L_glutathione_oxidized","bmse000170",7,46.1769,10
"L_glutathione_oxidized","bmse000170",8,41.3939,5.3
"L_glutathione_oxidized","bmse000170",9,34.0976,8.71
"L_glutathione_oxidized","bmse000170",10,28.9834,9.22
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",1,137.9087,2.24
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",2,137.8673,2.37
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",3,131.376,12.5
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",4,131.3613,12.49
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",5,130.699,5.71
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",6,130.6797,5.71
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",7,130.3647,10.88
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",8,130.3201,11.19
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",9,58.3213,5.52
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",10,57.0571,5.41
"2_amino_5_ethyl_1_3_4_thiadiazole","bmse000176",1,168.4472,1.23
"2_amino_5_ethyl_1_3_4_thiadiazole","bmse000176",2,25.8692,12.5
"2_amino_5_ethyl_1_3_4_thiadiazole","bmse000176",3,15.8228,11.49
"indole_3_acetic_acid","bmse000177",1,184.4014,2.14
"indole_3_acetic_acid","bmse000177",2,138.8639,1.78
"indole_3_acetic_acid","bmse000177",3,129.8341,1.84
"indole_3_acetic_acid","bmse000177",4,126.7302,9.37
"indole_3_acetic_acid","bmse000177",5,124.4124,12.5
"indole_3_acetic_acid","bmse000177",6,121.7961,11.6
"indole_3_acetic_acid","bmse000177",7,121.3961,11.96
"indole_3_acetic_acid","bmse000177",8,114.4077,11.75
"indole_3_acetic_acid","bmse000177",9,113.0393,2.26
"indole_3_acetic_acid","bmse000177",10,36.6627,11.8
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",1,177.1121,2.86
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",2,175.8429,2.97
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",3,146.1205,4.91
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",4,142.1751,2.25
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",5,140.3992,5.19
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",6,135.1671,1.17
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",7,128.5755,12.5
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",8,122.2003,7.85
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",9,120.5307,8.5
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",10,26.0734,7.9
"inosine_5_monophosphate","bmse000175",1,161.425,3.75
"inosine_5_monophosphate","bmse000175",2,151.4802,4.81
"inosine_5_monophosphate","bmse000175",3,149.0993,9.26
"inosine_5_monophosphate","bmse000175",4,142.6513,8.28
"inosine_5_monophosphate","bmse000175",5,126.224,3.55
"inosine_5_monophosphate","bmse000175",6,90.0513,11.57
"inosine_5_monophosphate","bmse000175",7,87.5897,6.17
"inosine_5_monophosphate","bmse000175",8,87.5029,6.25
"inosine_5_monophosphate","bmse000175",9,77.4723,12.43
"inosine_5_monophosphate","bmse000175",10,73.3415,12.5
"inosine_5_monophosphate","bmse000175",11,66.1817,4.69
"inosine_5_monophosphate","bmse000175",12,66.1371,4.9
"acetylcholine","bmse000168",1,175.9351,1.7
"acetylcholine","bmse000168",2,67.2352,3.17
"acetylcholine","bmse000168",3,67.2022,3.69
"acetylcholine","bmse000168",4,67.1693,3.21
"acetylcholine","bmse000168",5,61.0489,9.91
"acetylcholine","bmse000168",6,56.5037,10.75
"acetylcholine","bmse000168",7,56.4653,12.5
"acetylcholine","bmse000168",8,56.4269,11.09
"acetylcholine","bmse000168",9,22.907,5.01
"L_selenomethionine","bmse000169",1,177.0007,2.6
"L_selenomethionine","bmse000169",2,57.4374,11.47
"L_selenomethionine","bmse000169",3,33.6291,11.68
"L_selenomethionine","bmse000169",4,21.9577,12.5
"L_selenomethionine","bmse000169",5,5.9908,6.84
"L_carnitine","bmse000211",1,180.7932,2.55
"L_carnitine","bmse000211",2,72.8484,3.55
"L_carnitine","bmse000211",3,72.8194,4.35
"L_carnitine","bmse000211",4,72.7905,3.77
"L_carnitine","bmse000211",5,66.787,9.83
"L_carnitine","bmse000211",6,56.8352,10.16
"L_carnitine","bmse000211",7,56.7971,12.5
"L_carnitine","bmse000211",8,56.7587,10.72
"L_carnitine","bmse000211",9,45.6836,6.68
"2_deoxyguanosine_5_triphosphate","bmse000210",1,161.5994,4.1
"2_deoxyguanosine_5_triphosphate","bmse000210",2,156.5483,6.62
"2_deoxyguanosine_5_triphosphate","bmse000210",3,153.9201,3.76
"2_deoxyguanosine_5_triphosphate","bmse000210",4,140.177,4.97
"2_deoxyguanosine_5_triphosphate","bmse000210",5,118.7094,3.56
"2_deoxyguanosine_5_triphosphate","bmse000210",6,88.3356,4.95
"2_deoxyguanosine_5_triphosphate","bmse000210",7,88.2497,5.03
"2_deoxyguanosine_5_triphosphate","bmse000210",8,86.1217,10.42
"2_deoxyguanosine_5_triphosphate","bmse000210",9,85.9663,1.24
"2_deoxyguanosine_5_triphosphate","bmse000210",10,73.5912,12.5
"2_deoxyguanosine_5_triphosphate","bmse000210",11,73.4257,1.36
"2_deoxyguanosine_5_triphosphate","bmse000210",12,68.0836,4.3
"2_deoxyguanosine_5_triphosphate","bmse000210",13,68.0298,4.01
"2_deoxyguanosine_5_triphosphate","bmse000210",14,60.1564,2.92
"2_deoxyguanosine_5_triphosphate","bmse000210",15,41.4696,9.7
"2_deoxyguanosine_5_triphosphate","bmse000210",16,19.5226,3.19
"L_glutathione_reduced","bmse000185",1,179.0844,3.34
"L_glutathione_reduced","bmse000185",2,177.7381,6.24
"L_glutathione_reduced","bmse000185",3,176.8762,4.09
"L_glutathione_reduced","bmse000185",4,174.517,4.49
"L_glutathione_reduced","bmse000185",5,58.485,9.28
"L_glutathione_reduced","bmse000185",6,56.8252,12.5
"L_glutathione_reduced","bmse000185",7,46.0594,11.98
"L_glutathione_reduced","bmse000185",8,34.0617,10.25
"L_glutathione_reduced","bmse000185",9,28.9279,10.05
"L_glutathione_reduced","bmse000185",10,28.2991,8.79
"L-ascorbate","bmse000182",1,180.3168,1.43
"L-ascorbate","bmse000182",2,178.4832,2.74
"L-ascorbate","bmse000182",3,115.802,1.21
"L-ascorbate","bmse000182",4,81.1004,12.5
"L-ascorbate","bmse000182",5,72.2534,11.82
"L-ascorbate","bmse000182",6,65.2522,10.99
"glycerol","bmse000184",1,74.7687,5.34
"glycerol","bmse000184",2,65.1855,12.5
"succinic_acid","bmse000183",1,185.1723,12.5
"diethyl_oxalacetate","bmse000148",1,175.4103,2.81
"diethyl_oxalacetate","bmse000148",2,174.3091,2.64
"diethyl_oxalacetate","bmse000148",3,173.4326,3.11
"diethyl_oxalacetate","bmse000148",4,168.1048,3.57
"diethyl_oxalacetate","bmse000148",5,163.0751,2.84
"diethyl_oxalacetate","bmse000148",6,107.9727,2.93
"diethyl_oxalacetate","bmse000148",7,66.4032,12.5
"diethyl_oxalacetate","bmse000148",8,64.8073,11.65
"diethyl_oxalacetate","bmse000148",9,63.2252,12.35
"diethyl_oxalacetate","bmse000148",10,60.1425,6.53
"diethyl_oxalacetate","bmse000148",11,19.5054,7.69
"diethyl_oxalacetate","bmse000148",12,16.4349,10.31
"diethyl_oxalacetate","bmse000148",13,16.0264,10.85
"diethyl_oxalacetate","bmse000148",14,15.8307,11.05
"diethyl_oxalacetate","bmse000148",15,8.3719,1.46
"methyl_4_aminobutyrate","bmse000249",1,178.332,2.3
"methyl_4_aminobutyrate","bmse000249",2,55.0318,9.91
"methyl_4_aminobutyrate","bmse000249",3,41.3931,9.31
"methyl_4_aminobutyrate","bmse000249",4,33.2371,12.5
"methyl_4_aminobutyrate","bmse000249",5,24.7364,10.01
"acetic_acid","bmse000191",1,25.9921,12.5
"DL_alpha_glycerol_phosphate","bmse000193",1,74.017,6.6
"DL_alpha_glycerol_phosphate","bmse000193",2,73.9509,6.61
"DL_alpha_glycerol_phosphate","bmse000193",3,67.5764,6.42
"DL_alpha_glycerol_phosphate","bmse000193",4,67.5279,6.33
"DL_alpha_glycerol_phosphate","bmse000193",5,64.9909,12.5
"L_arginine_L_glutamate","bmse000194",1,184.0271,2.62
"L_arginine_L_glutamate","bmse000194",2,177.3004,2.69
"L_arginine_L_glutamate","bmse000194",3,177.2486,3.51
"L_arginine_L_glutamate","bmse000194",4,159.5217,1.58
"L_arginine_L_glutamate","bmse000194",5,57.3276,11.34
"L_arginine_L_glutamate","bmse000194",6,56.9877,12.33
"L_arginine_L_glutamate","bmse000194",7,43.187,10.69
"L_arginine_L_glutamate","bmse000194",8,36.1773,12.5
"L_arginine_L_glutamate","bmse000194",9,30.2821,11.31
"L_arginine_L_glutamate","bmse000194",10,29.6813,11.66
"L_arginine_L_glutamate","bmse000194",11,26.565,9.36
"N_alpha_acetyl_DL_ornithine","bmse000195",1,181.278,2.84
"N_alpha_acetyl_DL_ornithine","bmse000195",2,176.3942,3.3
"N_alpha_acetyl_DL_ornithine","bmse000195",3,57.2647,12.5
"N_alpha_acetyl_DL_ornithine","bmse000195",4,41.7026,11.36
"N_alpha_acetyl_DL_ornithine","bmse000195",5,31.2562,11.58
"N_alpha_acetyl_DL_ornithine","bmse000195",6,26.1175,10.85
"N_alpha_acetyl_DL_ornithine","bmse000195",7,24.6039,9.43
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",1,177.1802,4.22
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",2,100.7816,12.14
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",3,74.3693,12.5
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",4,73.8173,11.87
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",5,72.6604,11.86
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",6,63.2442,9.78
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",7,57.84,10.7
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",8,56.3295,11.36
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",9,24.5939,9.03
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",1,177.4262,6.89
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",2,95.5064,6.59
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",3,95.4519,6.61
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",4,74.8112,12.48
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",5,74.1248,11.53
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",6,72.717,12.5
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",7,63.3991,10.48
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",8,60.1385,1.19
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",9,56.8941,6.31
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",10,56.82,5.92
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",11,24.8547,11.82
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",12,19.5064,1.35
"6_phosphogluconic_acid","bmse000198",1,181.6058,3.57
"6_phosphogluconic_acid","bmse000198",2,76.871,10.24
"6_phosphogluconic_acid","bmse000198",3,74.5728,12.34
"6_phosphogluconic_acid","bmse000198",4,73.5923,12.5
"6_phosphogluconic_acid","bmse000198",5,73.3427,6.13
"6_phosphogluconic_acid","bmse000198",6,73.2817,6
"6_phosphogluconic_acid","bmse000198",7,67.8378,5.3
"6_phosphogluconic_acid","bmse000198",8,67.7897,5.02
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",1,177.4856,7.09
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",2,169.018,6.26
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",3,154.5678,4.71
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",4,144.3458,8.41
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",5,105.3664,9.76
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",6,97.2217,5.52
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",7,97.1586,5.3
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",8,91.2324,10.4
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",9,85.9265,5.45
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",10,85.8356,5.37
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",11,76.5038,12.5
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",12,75.7265,10.47
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",13,73.618,9.4
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",14,72.3363,12.03
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",15,72.1894,10.68
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",16,67.7104,4.06
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",17,67.6547,4.21
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",18,63.011,8.29
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",19,56.4123,4.85
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",20,56.3279,4.86
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",21,24.8017,11.06
"D_glucosamine_6_phosphate","bmse000189",1,96.7641,3.96
"D_glucosamine_6_phosphate","bmse000189",2,92.5468,9.11
"D_glucosamine_6_phosphate","bmse000189",3,78.573,7.72
"D_glucosamine_6_phosphate","bmse000189",4,78.5029,8.09
"D_glucosamine_6_phosphate","bmse000189",5,75.3,3.82
"D_glucosamine_6_phosphate","bmse000189",6,74.241,8.9
"D_glucosamine_6_phosphate","bmse000189",7,74.1735,8.79
"D_glucosamine_6_phosphate","bmse000189",8,72.61,7.6
"D_glucosamine_6_phosphate","bmse000189",9,72.216,8.01
"D_glucosamine_6_phosphate","bmse000189",10,72.0861,11.81
"D_glucosamine_6_phosphate","bmse000189",11,65.6945,5.67
"D_glucosamine_6_phosphate","bmse000189",12,65.5318,8.2
"D_glucosamine_6_phosphate","bmse000189",13,59.9922,8.37
"D_glucosamine_6_phosphate","bmse000189",14,57.442,12.5
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",1,177.6459,3.99
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",2,177.3558,6.21
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",3,97.9785,9.64
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",4,93.8355,12.5
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",5,78.3788,4.55
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",6,78.3082,5
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",7,76.3335,8.77
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",8,74.1312,5.77
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",9,74.0636,5.71
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",10,73.273,9.62
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",11,72.5985,6.43
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",12,72.4066,4.3
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",13,65.8183,6.34
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",14,59.7314,6.92
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",15,57.09,11.32
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",16,25.09,7.17
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",17,24.8284,8.82
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",18,24.6366,2.13
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",19,8.3826,2.3
"formate","bmse000203",1,173.8915,12.5
"HEPES","bmse000202",1,60.8048,5.44
"HEPES","bmse000202",2,58.5772,7.51
"HEPES","bmse000202",3,54.5149,8.11
"HEPES","bmse000202",4,54.0844,12.5
"HEPES","bmse000202",5,52.383,11.07
"HEPES","bmse000202",6,50.0053,7.83
"D_citrulline","bmse000209",1,177.3935,5.6
"D_citrulline","bmse000209",2,164.2858,1.35
"D_citrulline","bmse000209",3,57.1942,10.87
"D_citrulline","bmse000209",4,41.9172,1.9
"D_citrulline","bmse000209",5,30.442,12.5
"D_citrulline","bmse000209",6,27.6603,6.22
"tryptamine","bmse000207",1,139.1467,1.96
"tryptamine","bmse000207",2,129.1548,2.05
"tryptamine","bmse000207",3,127.0515,9.42
"tryptamine","bmse000207",4,124.8771,12.23
"tryptamine","bmse000207",5,122.1292,11.7
"tryptamine","bmse000207",6,121.0332,11.62
"tryptamine","bmse000207",7,114.7782,11.66
"tryptamine","bmse000207",8,111.7871,2.5
"tryptamine","bmse000207",9,42.4461,10.28
"tryptamine","bmse000207",10,25.3872,12.5
"caffeine","bmse000206",1,158.3677,2.3
"caffeine","bmse000206",2,154.8444,2.1
"caffeine","bmse000206",3,150.6943,2.53
"caffeine","bmse000206",4,146.1726,12.5
"caffeine","bmse000206",5,109.992,1.93
"caffeine","bmse000206",6,36.1671,12
"caffeine","bmse000206",7,32.5176,11.72
"caffeine","bmse000206",8,30.6092,12.15
"DL_serine","bmse000222",1,175.1858,1.49
"DL_serine","bmse000222",2,62.8818,12.5
"DL_serine","bmse000222",3,59.0696,9.18
"kanamycin","bmse000201",1,103.0882,11.25
"kanamycin","bmse000201",2,99.3708,11.19
"kanamycin","bmse000201",3,87.4547,11.03
"kanamycin","bmse000201",4,82.3518,10.12
"kanamycin","bmse000201",5,76.1335,11.05
"kanamycin","bmse000201",6,75.2746,11.27
"kanamycin","bmse000201",7,74.8051,11.96
"kanamycin","bmse000201",8,73.8216,11.92
"kanamycin","bmse000201",9,73.7132,12.5
"kanamycin","bmse000201",10,71.3274,11.8
"kanamycin","bmse000201",11,71.2135,10.89
"kanamycin","bmse000201",12,68.4669,11.25
"kanamycin","bmse000201",13,62.5738,8.79
"kanamycin","bmse000201",14,57.6876,10.31
"kanamycin","bmse000201",15,52.8142,10.87
"kanamycin","bmse000201",16,50.8624,10.67
"kanamycin","bmse000201",17,43.1772,9.79
"kanamycin","bmse000201",18,32.4006,6.43
"D_galacturonic_acid","bmse000216",1,178.7328,1.92
"D_galacturonic_acid","bmse000216",2,177.8683,2.95
"D_galacturonic_acid","bmse000216",3,103.6266,1.14
"D_galacturonic_acid","bmse000216",4,98.6973,11.64
"D_galacturonic_acid","bmse000216",5,94.8821,8.1
"D_galacturonic_acid","bmse000216",6,86.1096,1.16
"D_galacturonic_acid","bmse000216",7,83.8927,1.25
"D_galacturonic_acid","bmse000216",8,78.2191,12.5
"D_galacturonic_acid","bmse000216",9,75.5921,12.15
"D_galacturonic_acid","bmse000216",10,74.2733,11.54
"D_galacturonic_acid","bmse000216",11,74.0687,8.3
"D_galacturonic_acid","bmse000216",12,73.5175,7.92
"D_galacturonic_acid","bmse000216",13,73.4128,1.2
"D_galacturonic_acid","bmse000216",14,73.0403,11.9
"D_galacturonic_acid","bmse000216",15,72.0425,8.11
"D_galacturonic_acid","bmse000216",16,70.7295,8.19
"melibiose","bmse000215",1,100.9074,4.94
"melibiose","bmse000215",2,100.8624,8.18
"melibiose","bmse000215",3,98.7735,7.77
"melibiose","bmse000215",4,94.8936,4.8
"melibiose","bmse000215",5,78.5818,7.92
"melibiose","bmse000215",6,77.0481,7.86
"melibiose","bmse000215",7,76.7432,7.91
"melibiose","bmse000215",8,75.641,4.51
"melibiose","bmse000215",9,74.115,4.66
"melibiose","bmse000215",10,73.6521,8.63
"melibiose","bmse000215",11,72.7897,4.38
"melibiose","bmse000215",12,72.2675,4.58
"melibiose","bmse000215",13,72.1681,11.13
"melibiose","bmse000215",14,72.1168,8.41
"melibiose","bmse000215",15,71.8969,12.5
"melibiose","bmse000215",16,71.1809,5.01
"melibiose","bmse000215",17,71.1499,8
"melibiose","bmse000215",18,68.5997,3.4
"melibiose","bmse000215",19,68.5048,5.74
"melibiose","bmse000215",20,63.7993,7.48
"raffinose","bmse000221",1,106.4984,12
"raffinose","bmse000221",2,101.1619,11.75
"raffinose","bmse000221",3,94.8107,10.5
"raffinose","bmse000221",4,84.0386,10.37
"raffinose","bmse000221",5,78.9908,10.66
"raffinose","bmse000221",6,76.6708,10.74
"raffinose","bmse000221",7,75.3481,10.62
"raffinose","bmse000221",8,74.0893,10.03
"raffinose","bmse000221",9,73.7298,10.76
"raffinose","bmse000221",10,73.6491,10.76
"raffinose","bmse000221",11,72.1375,11.45
"raffinose","bmse000221",12,72.0811,10.61
"raffinose","bmse000221",13,71.8977,12.5
"raffinose","bmse000221",14,71.1782,10.63
"raffinose","bmse000221",15,68.5609,7.4
"raffinose","bmse000221",16,65.174,9.27
"raffinose","bmse000221",17,64.0591,8.59
"raffinose","bmse000221",18,63.8064,10.78
"phenylacetic_acid","bmse000220",1,140.0132,1.48
"phenylacetic_acid","bmse000220",2,131.8678,12.4
"phenylacetic_acid","bmse000220",3,131.3739,12.5
"phenylacetic_acid","bmse000220",4,129.1624,7.27
"phenylacetic_acid","bmse000220",5,47.1763,7.68
"quinolinic_acid","bmse000219",1,151.0633,4.64
"quinolinic_acid","bmse000219",2,139.9295,12.5
"quinolinic_acid","bmse000219",3,134.2225,1.66
"quinolinic_acid","bmse000219",4,126.3609,1.43
"L_arabinose","bmse000213",1,99.4707,11.84
"L_arabinose","bmse000213",2,95.2773,6.36
"L_arabinose","bmse000213",3,85.6557,1.01
"L_arabinose","bmse000213",4,75.1558,12.46
"L_arabinose","bmse000213",5,74.5445,11.65
"L_arabinose","bmse000213",6,71.3975,5.23
"L_arabinose","bmse000213",7,71.291,6.33
"L_arabinose","bmse000213",8,71.19,12.5
"L_arabinose","bmse000213",9,71.1316,6.46
"L_arabinose","bmse000213",10,69.092,10.76
"L_arabinose","bmse000213",11,65.1629,5.63
"L_arabinose","bmse000213",12,63.7809,1.01
"maleic_acid","bmse000212",1,178.0156,12.5
"maleic_acid","bmse000212",2,138.0455,2.52
"trimethylamine","bmse000224",1,47.3627,12.5
"FAD","bmse000226",1,164.0687,6.03
"FAD","bmse000226",2,160.4644,6.44
"FAD","bmse000226",3,157.4008,5.27
"FAD","bmse000226",4,155.0401,6.79
"FAD","bmse000226",5,153.2024,6.31
"FAD","bmse000226",6,152.7018,4.88
"FAD","bmse000226",7,150.7506,8.42
"FAD","bmse000226",8,141.8033,9.25
"FAD","bmse000226",9,137.3022,7.38
"FAD","bmse000226",10,136.7199,6.9
"FAD","bmse000226",11,134.1126,5.24
"FAD","bmse000226",12,133.1145,6.31
"FAD","bmse000226",13,120.4006,4.97
"FAD","bmse000226",14,119.1392,5.98
"FAD","bmse000226",15,89.8286,8.42
"FAD","bmse000226",16,86.1706,4.9
"FAD","bmse000226",17,77.5902,9.53
"FAD","bmse000226",18,75.1902,7.63
"FAD","bmse000226",19,73.8874,4.74
"FAD","bmse000226",20,72.6742,9.77
"FAD","bmse000226",21,72.0204,7.14
"FAD","bmse000226",22,49.8304,4.6
"FAD","bmse000226",23,23.4503,12.23
"FAD","bmse000226",24,21.3064,12.5
"biotin","bmse000227",1,186.5202,3.08
"biotin","bmse000227",2,168.1155,1.31
"biotin","bmse000227",3,64.7083,11.47
"biotin","bmse000227",4,62.9655,10.94
"biotin","bmse000227",5,58.0656,12.5
"biotin","bmse000227",6,42.4481,10.02
"biotin","bmse000227",7,40.0331,11.31
"biotin","bmse000227",8,30.9897,10.73
"biotin","bmse000227",9,30.4007,10.87
"biotin","bmse000227",10,28.3888,11.03
"L_malic_acid","bmse000238",1,183.7653,2.22
"L_malic_acid","bmse000238",2,182.5621,2.11
"L_malic_acid","bmse000238",3,73.0565,11
"L_malic_acid","bmse000238",4,45.325,12.5
"DL_pipecolic_acid","bmse000237",1,177.3687,2.02
"DL_pipecolic_acid","bmse000237",2,61.7014,10.46
"DL_pipecolic_acid","bmse000237",3,46.3684,11.14
"DL_pipecolic_acid","bmse000237",4,29.2254,12.03
"DL_pipecolic_acid","bmse000237",5,24.5183,12.5
"DL_pipecolic_acid","bmse000237",6,24.2597,11.72
"alpha_naphthoic_acid","bmse000178",1,180.9525,1.22
"alpha_naphthoic_acid","bmse000178",2,140.3164,2.38
"alpha_naphthoic_acid","bmse000178",3,136.0023,3.43
"alpha_naphthoic_acid","bmse000178",4,131.8378,2.83
"alpha_naphthoic_acid","bmse000178",5,131.5775,11.93
"alpha_naphthoic_acid","bmse000178",6,130.9661,12.32
"alpha_naphthoic_acid","bmse000178",7,129.4469,11.78
"alpha_naphthoic_acid","bmse000178",8,128.9278,12.24
"alpha_naphthoic_acid","bmse000178",9,128.3008,11.2
"alpha_naphthoic_acid","bmse000178",10,128.1263,11.47
"alpha_naphthoic_acid","bmse000178",11,126.9179,12.5
"L_lactic_acid","bmse000208",1,185.2568,1.47
"L_lactic_acid","bmse000208",2,71.1986,10.31
"L_lactic_acid","bmse000208",3,22.7605,12.5
"thymidine","bmse000244",1,169.2606,1.96
"thymidine","bmse000244",2,154.4362,2.17
"thymidine","bmse000244",3,140.2111,10.41
"thymidine","bmse000244",4,114.1556,4.85
"thymidine","bmse000244",5,89.1962,12.5
"thymidine","bmse000244",6,87.7135,11.37
"thymidine","bmse000244",7,73.1301,12.1
"thymidine","bmse000244",8,63.8632,10.49
"thymidine","bmse000244",9,41.1957,10.46
"thymidine","bmse000244",10,14.2614,10.1
"citraconic_acid","bmse000199",1,182.5855,1.19
"citraconic_acid","bmse000199",2,177.0006,1.62
"citraconic_acid","bmse000199",3,150.7235,3.14
"citraconic_acid","bmse000199",4,122.9987,12.5
"citraconic_acid","bmse000199",5,23.083,10.26
"homogentisic_acid","bmse000200",1,183.4495,2.25
"homogentisic_acid","bmse000200",2,151.5798,3.49
"homogentisic_acid","bmse000200",3,150.3577,2.71
"homogentisic_acid","bmse000200",4,128.3103,4.07
"homogentisic_acid","bmse000200",5,120.3611,12.12
"homogentisic_acid","bmse000200",6,119.7948,12.5
"homogentisic_acid","bmse000200",7,117.1989,12.11
"homogentisic_acid","bmse000200",8,42.6626,11.69
"isonicotinic_acid","bmse000133",1,152.265,11.27
"isonicotinic_acid","bmse000133",2,143.3482,1.49
"isonicotinic_acid","bmse000133",3,124.3227,12.5
"homovanillic_acid","bmse000132",1,184.0342,2.31
"homovanillic_acid","bmse000132",2,149.9125,2.75
"homovanillic_acid","bmse000132",3,145.8277,2.64
"homovanillic_acid","bmse000132",4,132.7556,4.92
"homovanillic_acid","bmse000132",5,124.6363,12.01
"homovanillic_acid","bmse000132",6,118.1634,12.5
"homovanillic_acid","bmse000132",7,116.1596,11.86
"homovanillic_acid","bmse000132",8,58.5972,11.89
"homovanillic_acid","bmse000132",9,46.5865,11.75
"cyanuric_acid","bmse000135",1,158.7585,12.5
"ethacrynic_acid","bmse000134",1,202.3118,4.43
"ethacrynic_acid","bmse000134",2,177.9826,5
"ethacrynic_acid","bmse000134",3,158.7271,7.04
"ethacrynic_acid","bmse000134",4,152.4416,9.11
"ethacrynic_acid","bmse000134",5,134.6377,7.45
"ethacrynic_acid","bmse000134",6,134.3055,7.14
"ethacrynic_acid","bmse000134",7,133.1034,4.2
"ethacrynic_acid","bmse000134",8,130.6445,11.98
"ethacrynic_acid","bmse000134",9,124.6188,3.16
"ethacrynic_acid","bmse000134",10,113.5528,12.1
"ethacrynic_acid","bmse000134",11,70.3721,12.5
"ethacrynic_acid","bmse000134",12,25.8093,12.14
"ethacrynic_acid","bmse000134",13,14.5372,10.57
"itaconic_acid","bmse000137",1,183.4319,1.66
"itaconic_acid","bmse000137",2,144.4598,3.08
"itaconic_acid","bmse000137",3,124.7498,11.94
"itaconic_acid","bmse000137",4,44.7199,12.5
"amygdalin","bmse000139",1,135.1591,3.04
"amygdalin","bmse000139",2,133.2211,4.82
"amygdalin","bmse000139",3,132.0805,12.5
"amygdalin","bmse000139",4,130.5071,12.26
"amygdalin","bmse000139",5,121.2539,2.79
"amygdalin","bmse000139",6,105.5549,5
"amygdalin","bmse000139",7,104.1485,4.67
"amygdalin","bmse000139",8,78.6035,5.33
"amygdalin","bmse000139",9,78.2945,5.19
"amygdalin","bmse000139",10,78.182,4.9
"amygdalin","bmse000139",11,78.0819,4.95
"amygdalin","bmse000139",12,75.9,5.09
"amygdalin","bmse000139",13,75.4567,4.78
"amygdalin","bmse000139",14,72.369,5.36
"amygdalin","bmse000139",15,71.8621,4.67
"amygdalin","bmse000139",16,71.7644,5.77
"amygdalin","bmse000139",17,70.9831,3.34
"amygdalin","bmse000139",18,63.4233,3.79
"D_cellobiose","bmse000138",1,105.2663,8.21
"D_cellobiose","bmse000138",2,105.2381,5.61
"D_cellobiose","bmse000138",3,98.4528,7.32
"D_cellobiose","bmse000138",4,94.5197,4.61
"D_cellobiose","bmse000138",5,81.4215,4.68
"D_cellobiose","bmse000138",6,81.2838,7.67
"D_cellobiose","bmse000138",7,78.6932,12.12
"D_cellobiose","bmse000138",8,78.1874,12.5
"D_cellobiose","bmse000138",9,77.5013,7.76
"D_cellobiose","bmse000138",10,76.9856,7.78
"D_cellobiose","bmse000138",11,76.5907,7.38
"D_cellobiose","bmse000138",12,75.8703,9.08
"D_cellobiose","bmse000138",13,74.0348,4.8
"D_cellobiose","bmse000138",14,73.925,5.13
"D_cellobiose","bmse000138",15,72.8163,4.72
"D_cellobiose","bmse000138",16,72.1615,6.12
"D_cellobiose","bmse000138",17,72.1439,8.59
"D_cellobiose","bmse000138",18,63.2643,6.56
"D_cellobiose","bmse000138",19,62.74,5.36
"D_cellobiose","bmse000138",20,62.606,3.56
"gamma_D_galactonolactone","bmse000141",1,178.7234,2.86
"gamma_D_galactonolactone","bmse000141",2,82.7298,12.5
"gamma_D_galactonolactone","bmse000141",3,76.4007,12.48
"gamma_D_galactonolactone","bmse000141",4,75.5187,12.19
"gamma_D_galactonolactone","bmse000141",5,74.2346,3.63
"gamma_D_galactonolactone","bmse000141",6,74.0161,3.26
"gamma_D_galactonolactone","bmse000141",7,72.7812,3.45
"gamma_D_galactonolactone","bmse000141",8,72.4324,3.36
"gamma_D_galactonolactone","bmse000141",9,71.5773,12.34
"gamma_D_galactonolactone","bmse000141",10,66.0277,3.07
"gamma_D_galactonolactone","bmse000141",11,64.6899,11.19
"D_glucuronate","bmse000140",1,179.6525,1.52
"D_glucuronate","bmse000140",2,178.6724,2.78
"D_glucuronate","bmse000140",3,98.5755,11.73
"D_glucuronate","bmse000140",4,94.8123,7.69
"D_glucuronate","bmse000140",5,78.959,12.5
"D_glucuronate","bmse000140",6,78.2467,11.99
"D_glucuronate","bmse000140",7,76.6906,11.59
"D_glucuronate","bmse000140",8,75.2591,7.37
"D_glucuronate","bmse000140",9,74.8051,6.93
"D_glucuronate","bmse000140",10,74.5748,8
"D_glucuronate","bmse000140",11,74.5431,12.46
"D_glucuronate","bmse000140",12,73.9985,7.55
"L_gulonolactone","bmse000235",1,180.7006,2.42
"L_gulonolactone","bmse000235",2,84.0626,11.74
"L_gulonolactone","bmse000235",3,76.1965,2.96
"L_gulonolactone","bmse000235",4,75.331,3.02
"L_gulonolactone","bmse000235",5,74.9955,3.01
"L_gulonolactone","bmse000235",6,73.5223,12.5
"L_gulonolactone","bmse000235",7,73.1631,3.21
"L_gulonolactone","bmse000235",8,72.7983,12.19
"L_gulonolactone","bmse000235",9,72.2798,12.42
"L_gulonolactone","bmse000235",10,65.2205,2.74
"L_gulonolactone","bmse000235",11,64.1843,11.09
"glycogen","bmse000232",1,102.5103,8.96
"glycogen","bmse000232",2,79.5505,5.53
"glycogen","bmse000232",3,75.5834,9.32
"glycogen","bmse000232",4,74.2061,12.5
"glycogen","bmse000232",5,72.0454,4.53
"glycogen","bmse000232",6,63.2055,9.29
"melibiose","bmse000233",1,100.9084,5.19
"melibiose","bmse000233",2,100.8632,7.98
"melibiose","bmse000233",3,98.7735,7.66
"melibiose","bmse000233",4,94.8931,4.76
"melibiose","bmse000233",5,78.5818,7.97
"melibiose","bmse000233",6,77.0484,7.73
"melibiose","bmse000233",7,76.7428,7.76
"melibiose","bmse000233",8,75.6402,4.58
"melibiose","bmse000233",9,74.1149,4.63
"melibiose","bmse000233",10,73.6528,8.49
"melibiose","bmse000233",11,72.7893,4.29
"melibiose","bmse000233",12,72.267,4.52
"melibiose","bmse000233",13,72.1674,11.07
"melibiose","bmse000233",14,72.1167,8.55
"melibiose","bmse000233",15,71.8963,12.5
"melibiose","bmse000233",16,71.1803,5.19
"melibiose","bmse000233",17,71.1491,7.83
"melibiose","bmse000233",18,68.5995,3.44
"melibiose","bmse000233",19,68.5046,5.7
"melibiose","bmse000233",20,63.7983,7.42
"D_glucono_1_5_lactone","bmse000230",1,181.2312,2.98
"D_glucono_1_5_lactone","bmse000230",2,76.6877,12.5
"D_glucono_1_5_lactone","bmse000230",3,75.204,12.42
"D_glucono_1_5_lactone","bmse000230",4,73.8622,12.42
"D_glucono_1_5_lactone","bmse000230",5,73.6372,12.42
"D_glucono_1_5_lactone","bmse000230",6,65.3046,10.99
"N_acetyl_D_glucosamine","bmse000231",1,177.4899,2.8
"N_acetyl_D_glucosamine","bmse000231",2,177.2462,4.07
"N_acetyl_D_glucosamine","bmse000231",3,97.6343,8.26
"N_acetyl_D_glucosamine","bmse000231",4,93.5456,12.5
"N_acetyl_D_glucosamine","bmse000231",5,78.6606,9.02
"N_acetyl_D_glucosamine","bmse000231",6,76.5921,8.56
"N_acetyl_D_glucosamine","bmse000231",7,74.2719,12.4
"N_acetyl_D_glucosamine","bmse000231",8,73.3628,12.21
"N_acetyl_D_glucosamine","bmse000231",9,72.7507,12.34
"N_acetyl_D_glucosamine","bmse000231",10,72.5242,8.84
"N_acetyl_D_glucosamine","bmse000231",11,63.4249,7.22
"N_acetyl_D_glucosamine","bmse000231",12,63.2564,10.49
"N_acetyl_D_glucosamine","bmse000231",13,59.3824,8.25
"N_acetyl_D_glucosamine","bmse000231",14,56.8002,11.86
"N_acetyl_D_glucosamine","bmse000231",15,24.8865,6.38
"N_acetyl_D_glucosamine","bmse000231",16,24.609,9.19
"polygalacturonic_acid","bmse000228",1,178.1914,12.5
"polygalacturonic_acid","bmse000228",2,101.6522,9.97
"polygalacturonic_acid","bmse000228",3,80.5569,9.65
"polygalacturonic_acid","bmse000228",4,73.9772,8.45
"polygalacturonic_acid","bmse000228",5,71.4996,8.28
"polygalacturonic_acid","bmse000228",6,70.7598,8.29
"polygalacturonic_acid","bmse000228",7,26.4074,3.65
"D_saccharate","bmse000239",1,181.3679,2.13
"D_saccharate","bmse000239",2,181.237,1.95
"D_saccharate","bmse000239",3,76.4264,11.96
"D_saccharate","bmse000239",4,76.4165,12.5
"D_saccharate","bmse000239",5,76.2846,9.51
"D_saccharate","bmse000239",6,74.3621,9.95
"stachyose","bmse000240",1,106.5168,12.21
"stachyose","bmse000240",2,101.06,8.92
"stachyose","bmse000240",3,100.7169,10.76
"stachyose","bmse000240",4,94.8219,8.89
"stachyose","bmse000240",5,84.0524,9.16
"stachyose","bmse000240",6,78.9976,9.04
"stachyose","bmse000240",7,76.6795,9.2
"stachyose","bmse000240",8,75.4111,9
"stachyose","bmse000240",9,73.9757,8.23
"stachyose","bmse000240",10,73.7006,10.47
"stachyose","bmse000240",11,73.6476,9.63
"stachyose","bmse000240",12,72.1972,12.5
"stachyose","bmse000240",13,72.173,10.25
"stachyose","bmse000240",14,72.0684,10.06
"stachyose","bmse000240",15,72.0362,10.92
"stachyose","bmse000240",16,71.9303,12.49
"stachyose","bmse000240",17,71.5019,8.73
"stachyose","bmse000240",18,71.1393,9.07
"stachyose","bmse000240",19,70.9835,10.63
"stachyose","bmse000240",20,69.1734,6.48
"stachyose","bmse000240",21,68.5201,5.87
"stachyose","bmse000240",22,65.1886,8.65
"stachyose","bmse000240",23,64.0756,7.23
"stachyose","bmse000240",24,63.8499,10.36
"L_tartaric_acid","bmse000167",1,181.2992,12.5
"D_xylonate_cadmium","bmse000166",1,181.2863,3.14
"D_xylonate_cadmium","bmse000166",2,75.334,10.18
"D_xylonate_cadmium","bmse000166",3,75.0844,12.5
"D_xylonate_cadmium","bmse000166",4,65.059,9.59
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",1,177.4252,6.68
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",2,95.4941,6.42
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",3,95.4396,6.74
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",4,74.801,12.35
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",5,74.139,11.43
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",6,72.7232,12.5
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",7,63.4049,10.26
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",8,60.1376,1.31
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",9,56.8998,5.8
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",10,56.8264,6.12
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",11,24.8578,11.78
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",12,19.5062,1.22
"L_ornithine","bmse000162",1,177.052,2.52
"L_ornithine","bmse000162",2,56.8032,12.42
"L_ornithine","bmse000162",3,41.5581,10.67
"L_ornithine","bmse000162",4,30.183,12.5
"L_ornithine","bmse000162",5,25.4674,10.78
"D_alanine","bmse000236",1,178.5839,1.59
"D_alanine","bmse000236",2,53.2011,9.79
"D_alanine","bmse000236",3,18.8519,12.5
"4_nitrophenol","bmse000223",1,130.0111,12.5
"4_nitrophenol","bmse000223",2,129.9947,12.29
"4_nitrophenol","bmse000223",3,120.3011,8.51
"4_nitrophenol","bmse000223",4,120.2591,10.79
"D_L_glyceraldehyde","bmse000225",1,92.4597,11.03
"D_L_glyceraldehyde","bmse000225",2,76.7639,11.48
"D_L_glyceraldehyde","bmse000225",3,64.6759,12.5
"4_hydroxycinnamic_acid","bmse000150",1,178.908,1.38
"4_hydroxycinnamic_acid","bmse000150",2,159.818,1.85
"4_hydroxycinnamic_acid","bmse000150",3,143.5246,4.55
"4_hydroxycinnamic_acid","bmse000150",4,132.2994,11.74
"4_hydroxycinnamic_acid","bmse000150",5,130.1932,2.25
"4_hydroxycinnamic_acid","bmse000150",6,124.1229,4.91
"4_hydroxycinnamic_acid","bmse000150",7,118.5321,12.5
"alpha_D_galactose_1_phosphate","bmse000151",1,96.62,5.96
"alpha_D_galactose_1_phosphate","bmse000151",2,96.566,5.93
"alpha_D_galactose_1_phosphate","bmse000151",3,73.8281,11.4
"alpha_D_galactose_1_phosphate","bmse000151",4,72.304,10.42
"alpha_D_galactose_1_phosphate","bmse000151",5,72.1558,12.5
"alpha_D_galactose_1_phosphate","bmse000151",6,71.7402,5.87
"alpha_D_galactose_1_phosphate","bmse000151",7,71.6737,5.84
"alpha_D_galactose_1_phosphate","bmse000151",8,64.0705,10.09
"dAMP","bmse000250",1,155.0627,3.71
"dAMP","bmse000250",2,142.9366,3.42
"dAMP","bmse000250",3,90.1821,11.54
"dAMP","bmse000250",4,87.3797,7.1
"dAMP","bmse000250",5,74.0139,10.26
"dAMP","bmse000250",6,64.4148,12.5
"dAMP","bmse000250",7,41.7694,7.82
"Oxalosuccinate","bmse000251",1,184.1371,2.15
"Oxalosuccinate","bmse000251",2,172.7664,1.95
"Oxalosuccinate","bmse000251",3,52.8383,1.48
"Oxalosuccinate","bmse000251",4,38.5758,5.93
"Oxalosuccinate","bmse000251",5,38.454,1.48
"Oxalosuccinate","bmse000251",6,38.2644,1.54
"Oxalosuccinate","bmse000251",7,38.0683,1.39
"Oxalosuccinate","bmse000251",8,36.9355,3.83
"Oxalosuccinate","bmse000251",9,35.3007,1.19
"Oxalosuccinate","bmse000251",10,34.9692,1.16
"Oxalosuccinate","bmse000251",11,33.3147,5.48
"Oxalosuccinate","bmse000251",12,33.2611,6.95
"Oxalosuccinate","bmse000251",13,33.2048,12.5
"Oxalosuccinate","bmse000251",14,25.9719,1.99
"Salicylate","bmse000252",1,178.336,1.8
"Salicylate","bmse000252",2,162.3095,1.9
"Salicylate","bmse000252",3,136.7054,12.5
"Salicylate","bmse000252",4,133.2002,11.8
"Salicylate","bmse000252",5,122.0978,11.69
"Salicylate","bmse000252",6,120.713,2.32
"Salicylate","bmse000252",7,119.007,12.31
"dADP","bmse000253",1,158.1421,4.9
"dADP","bmse000253",2,155.3005,9.18
"dADP","bmse000253",3,151.2181,2.23
"dADP","bmse000253",4,142.6258,3.6
"dADP","bmse000253",5,121.1832,1.88
"dADP","bmse000253",6,88.4189,5.03
"dADP","bmse000253",7,88.3329,5.02
"dADP","bmse000253",8,86.1412,10.03
"dADP","bmse000253",9,73.3197,12.5
"dADP","bmse000253",10,67.3652,4.1
"dADP","bmse000253",11,67.3129,3.98
"dADP","bmse000253",12,41.5514,9.81
"D_Fructose_1_phosphate","bmse000254",1,100.8301,3.74
"D_Fructose_1_phosphate","bmse000254",2,100.7578,3.97
"D_Fructose_1_phosphate","bmse000254",3,83.1443,1.21
"D_Fructose_1_phosphate","bmse000254",4,78.79,1.8
"D_Fructose_1_phosphate","bmse000254",5,76.8304,1.21
"D_Fructose_1_phosphate","bmse000254",6,72.0493,12.5
"D_Fructose_1_phosphate","bmse000254",7,71.8351,11.69
"D_Fructose_1_phosphate","bmse000254",8,70.5098,12.35
"D_Fructose_1_phosphate","bmse000254",9,68.9967,5.19
"D_Fructose_1_phosphate","bmse000254",10,68.9492,5.25
"D_Fructose_1_phosphate","bmse000254",11,66.0887,9.73
"D_Fructose_1_phosphate","bmse000254",12,64.969,2.12
"D_Fructose_1_phosphate","bmse000254",13,64.1264,1.29
"ITP","bmse000255",1,161.4399,4.25
"ITP","bmse000255",2,151.5943,2.62
"ITP","bmse000255",3,149.0201,9.65
"ITP","bmse000255",4,142.5226,5.74
"ITP","bmse000255",5,126.3562,2.24
"ITP","bmse000255",6,90.276,1.56
"ITP","bmse000255",7,89.9312,10.81
"ITP","bmse000255",8,86.8306,5.65
"ITP","bmse000255",9,86.7415,5.81
"ITP","bmse000255",10,77.2254,2.18
"ITP","bmse000255",11,77.1273,12.5
"ITP","bmse000255",12,72.8596,11.68
"ITP","bmse000255",13,72.5243,2.14
"ITP","bmse000255",14,67.7479,4.35
"ITP","bmse000255",15,67.695,4.23
"Formaldehyde","bmse000256",1,84.4358,12.5
"FMN","bmse000257",1,163.2526,6.78
"FMN","bmse000257",2,160.3175,7.33
"FMN","bmse000257",3,153.429,6.6
"FMN","bmse000257",4,152.3129,4.11
"FMN","bmse000257",5,142.1584,7.18
"FMN","bmse000257",6,136.6282,6.86
"FMN","bmse000257",7,136.1877,6.82
"FMN","bmse000257",8,134.1083,4
"FMN","bmse000257",9,132.8224,4.98
"FMN","bmse000257",10,119.7064,4.78
"FMN","bmse000257",11,75.2209,6.14
"FMN","bmse000257",12,74.4868,3.9
"FMN","bmse000257",13,74.4237,3.92
"FMN","bmse000257",14,72.0087,6.36
"FMN","bmse000257",15,67.8012,3.52
"FMN","bmse000257",16,50.1474,2.93
"FMN","bmse000257",17,23.466,11.62
"FMN","bmse000257",18,21.3437,12.5
"Glycolaldehyde","bmse000258",1,92.374,9.81
"Glycolaldehyde","bmse000258",2,67.1623,12.5
"4_Hydroxybenzaldehyde","bmse000259",1,197.0798,3.76
"4_Hydroxybenzaldehyde","bmse000259",2,136.1538,9.71
"4_Hydroxybenzaldehyde","bmse000259",3,129.545,1.03
"4_Hydroxybenzaldehyde","bmse000259",4,119.8609,12.5
"Nicotinamide_D_ribonucleotide","bmse000260",1,175.8236,3.35
"Nicotinamide_D_ribonucleotide","bmse000260",2,141.0654,10.52
"Nicotinamide_D_ribonucleotide","bmse000260",3,127.6138,9.12
"Nicotinamide_D_ribonucleotide","bmse000260",4,108.182,10.66
"Nicotinamide_D_ribonucleotide","bmse000260",5,103.4044,6.52
"Nicotinamide_D_ribonucleotide","bmse000260",6,103.1839,1.61
"Nicotinamide_D_ribonucleotide","bmse000260",7,97.6396,11.48
"Nicotinamide_D_ribonucleotide","bmse000260",8,85.9422,6.34
"Nicotinamide_D_ribonucleotide","bmse000260",9,85.8555,6.04
"Nicotinamide_D_ribonucleotide","bmse000260",10,80.4925,1.81
"Nicotinamide_D_ribonucleotide","bmse000260",11,74.2063,1.79
"Nicotinamide_D_ribonucleotide","bmse000260",12,73.4952,12.5
"Nicotinamide_D_ribonucleotide","bmse000260",13,73.3372,12.21
"Nicotinamide_D_ribonucleotide","bmse000260",14,66.7617,5.06
"Nicotinamide_D_ribonucleotide","bmse000260",15,66.7167,4.78
"Nicotinamide_D_ribonucleotide","bmse000260",16,24.6964,9.6
"Acetyl_phosphate","bmse000261",1,175.0096,3.44
"Acetyl_phosphate","bmse000261",2,25.9801,10.24
"Acetyl_phosphate","bmse000261",3,24.7883,12.5
"Acetyl_phosphate","bmse000261",4,24.7425,11.1
"3_4_Hydroxyphenyl_pyruvate","bmse000262",1,157.3242,1.3
"3_4_Hydroxyphenyl_pyruvate","bmse000262",2,133.865,7.91
"3_4_Hydroxyphenyl_pyruvate","bmse000262",3,118.3826,12.5
"3_4_Hydroxyphenyl_pyruvate","bmse000262",4,117.7478,1.45
"NADP","bmse000263",1,167.8496,4.47
"NADP","bmse000263",2,158.1147,5.39
"NADP","bmse000263",3,155.428,9.01
"NADP","bmse000263",4,151.6757,5.76
"NADP","bmse000263",5,148.3745,7.75
"NADP","bmse000263",6,145.0167,6.29
"NADP","bmse000263",7,142.8886,8.29
"NADP","bmse000263",8,142.5477,5.92
"NADP","bmse000263",9,136.304,8.28
"NADP","bmse000263",10,131.3453,8.51
"NADP","bmse000263",11,121.1612,3.82
"NADP","bmse000263",12,102.729,11.11
"NADP","bmse000263",13,89.8221,5.86
"NADP","bmse000263",14,89.7336,5.64
"NADP","bmse000263",15,89.2538,5.26
"NADP","bmse000263",16,89.1719,5.28
"NADP","bmse000263",17,85.7472,5.48
"NADP","bmse000263",18,85.6577,5.52
"NADP","bmse000263",19,80.3221,12.5
"NADP","bmse000263",20,78.7636,5.55
"NADP","bmse000263",21,78.722,5.71
"NADP","bmse000263",22,73.3731,12.23
"NADP","bmse000263",23,72.7335,7.06
"NADP","bmse000263",24,68.2193,4.11
"NADP","bmse000263",25,67.6754,4.43
"NADP","bmse000263",26,57.0544,1.98
"4_Nitrophenyl_phosphate","bmse000264",1,163.0405,1.08
"4_Nitrophenyl_phosphate","bmse000264",2,144.5179,1.04
"4_Nitrophenyl_phosphate","bmse000264",3,128.4131,12.5
"4_Nitrophenyl_phosphate","bmse000264",4,122.6671,7.06
"4_Nitrophenyl_phosphate","bmse000264",5,122.6148,7.04
"4_Nitrocatechol","bmse000265",1,164.1278,1.69
"4_Nitrocatechol","bmse000265",2,148.5107,2.32
"4_Nitrocatechol","bmse000265",3,138.4594,1.3
"4_Nitrocatechol","bmse000265",4,122.9045,11.12
"4_Nitrocatechol","bmse000265",5,118.6529,12.08
"4_Nitrocatechol","bmse000265",6,112.45,12.5
"UDP","bmse000266",1,169.0888,5
"UDP","bmse000266",2,154.545,3.74
"UDP","bmse000266",3,144.5243,8.52
"UDP","bmse000266",4,105.234,10.35
"UDP","bmse000266",5,91.4445,11.2
"UDP","bmse000266",6,85.9024,5.62
"UDP","bmse000266",7,85.8136,5.66
"UDP","bmse000266",8,76.5959,12.5
"UDP","bmse000266",9,71.8259,11.92
"UDP","bmse000266",10,66.8315,4.4
"UDP","bmse000266",11,66.7792,4.54
"Formamide","bmse000267",1,169.4492,12.5
"R_Lactate","bmse000269",1,185.265,2.92
"R_Lactate","bmse000269",2,71.1978,10.49
"R_Lactate","bmse000269",3,22.7641,12.5
"GDP","bmse000270",1,161.6068,4.89
"GDP","bmse000270",2,156.6326,5.27
"GDP","bmse000270",3,154.1538,4.67
"GDP","bmse000270",4,140.2801,1.14
"GDP","bmse000270",5,140.1096,6.84
"GDP","bmse000270",6,118.7579,3.69
"GDP","bmse000270",7,89.8065,11.14
"GDP","bmse000270",8,86.2198,5.66
"GDP","bmse000270",9,86.132,5.77
"GDP","bmse000270",10,76.7534,12.5
"GDP","bmse000270",11,72.5131,12.28
"GDP","bmse000270",12,67.1729,4.45
"GDP","bmse000270",13,67.1215,4.26
"CoA","bmse000271",1,177.6817,2.7
"CoA","bmse000271",2,177.4294,8.2
"CoA","bmse000271",3,176.8233,2.08
"CoA","bmse000271",4,176.7106,6.6
"CoA","bmse000271",5,158.389,5.21
"CoA","bmse000271",6,155.6654,8.04
"CoA","bmse000271",7,155.5753,5.97
"CoA","bmse000271",8,152.1398,5.55
"CoA","bmse000271",9,152.0219,2.76
"CoA","bmse000271",10,142.9347,4.88
"CoA","bmse000271",11,142.6212,6.68
"CoA","bmse000271",12,121.3186,3.76
"CoA","bmse000271",13,89.3885,6.08
"CoA","bmse000271",14,89.1901,9.09
"CoA","bmse000271",15,87.3585,1.54
"CoA","bmse000271",16,87.3087,1.85
"CoA","bmse000271",17,87.2237,1.74
"CoA","bmse000271",18,86.8498,2.3
"CoA","bmse000271",19,86.7595,2.57
"CoA","bmse000271",20,85.3884,1.1
"CoA","bmse000271",21,79.6453,1.28
"CoA","bmse000271",22,79.1396,1.19
"CoA","bmse000271",23,78.2226,1.22
"CoA","bmse000271",24,77.5422,4.25
"CoA","bmse000271",25,77.2177,3.82
"CoA","bmse000271",26,77.1851,3.69
"CoA","bmse000271",27,76.9949,5.4
"CoA","bmse000271",28,76.9604,4.74
"CoA","bmse000271",29,76.7805,9.52
"CoA","bmse000271",30,76.4673,4.19
"CoA","bmse000271",31,76.4236,8.22
"CoA","bmse000271",32,76.3796,5.46
"CoA","bmse000271",33,74.5542,4.24
"CoA","bmse000271",34,74.4922,3.65
"CoA","bmse000271",35,73.328,2.2
"CoA","bmse000271",36,73.2765,1.86
"CoA","bmse000271",37,68.4744,3.83
"CoA","bmse000271",38,68.4222,3.88
"CoA","bmse000271",39,66.6691,2.47
"CoA","bmse000271",40,66.6238,2.86
"CoA","bmse000271",41,45.0428,4.93
"CoA","bmse000271",42,44.9976,11.76
"CoA","bmse000271",43,44.9048,1.18
"CoA","bmse000271",44,41.1259,2.81
"CoA","bmse000271",45,41.0359,6.14
"CoA","bmse000271",46,40.9558,6.01
"CoA","bmse000271",47,40.7593,1.76
"CoA","bmse000271",48,39.1263,1.74
"CoA","bmse000271",49,38.2973,1.72
"CoA","bmse000271",50,38.1621,9.87
"CoA","bmse000271",51,38.0817,9.25
"CoA","bmse000271",52,25.7997,12.5
"CoA","bmse000271",53,24.0869,1.45
"CoA","bmse000271",54,23.9984,3.96
"CoA","bmse000271",55,23.5128,8.93
"CoA","bmse000271",56,22.6789,1.36
"CoA","bmse000271",57,20.9419,3.81
"CoA","bmse000271",58,20.7819,9.63
"CoA","bmse000271",59,20.1012,1.78
"CDP","bmse000272",1,168.8761,4.9
"CDP","bmse000272",2,160.4002,4.39
"CDP","bmse000272",3,144.5698,1.09
"CDP","bmse000272",4,144.266,8.55
"CDP","bmse000272",5,99.3648,1.46
"CDP","bmse000272",6,99.2242,9.38
"CDP","bmse000272",7,92.2295,11.24
"CDP","bmse000272",8,91.8456,1.72
"CDP","bmse000272",9,85.3396,5.74
"CDP","bmse000272",10,85.2502,5.69
"CDP","bmse000272",11,77.0076,12.5
"CDP","bmse000272",12,72.3706,1.47
"CDP","bmse000272",13,71.4858,12.07
"CDP","bmse000272",14,66.6366,4.51
"CDP","bmse000272",15,66.5841,4.41
"D_Aspartate","bmse000273",1,180.3052,2.2
"D_Aspartate","bmse000273",2,177.0122,1.98
"D_Aspartate","bmse000273",3,54.9072,9.91
"D_Aspartate","bmse000273",4,39.2644,12.5
"Thiamin","bmse000274",1,171.726,5.58
"Thiamin","bmse000274",2,164.5163,3.11
"Thiamin","bmse000274",3,159.8969,10.99
"Thiamin","bmse000274",4,145.552,3.59
"Thiamin","bmse000274",5,138.7379,4.97
"Thiamin","bmse000274",6,107.1899,6.29
"Thiamin","bmse000274",7,63.1255,12.5
"Thiamin","bmse000274",8,53.7574,10.69
"Thiamin","bmse000274",9,31.9248,12.41
"Thiamin","bmse000274",10,26.7632,11.25
"Thiamin","bmse000274",11,13.8517,12.02
"D_Fructose_2_6_bisphosphate","bmse000275",1,106.8714,4.79
"D_Fructose_2_6_bisphosphate","bmse000275",2,106.8017,4.74
"D_Fructose_2_6_bisphosphate","bmse000275",3,82.9825,6.41
"D_Fructose_2_6_bisphosphate","bmse000275",4,82.912,6.28
"D_Fructose_2_6_bisphosphate","bmse000275",5,80.0513,6.58
"D_Fructose_2_6_bisphosphate","bmse000275",6,80.0052,6.39
"D_Fructose_2_6_bisphosphate","bmse000275",7,78.0543,12.5
"D_Fructose_2_6_bisphosphate","bmse000275",8,68.3553,5.53
"D_Fructose_2_6_bisphosphate","bmse000275",9,68.3079,5.71
"D_Fructose_2_6_bisphosphate","bmse000275",10,65.2002,7.1
"D_Fructose_2_6_bisphosphate","bmse000275",11,60.1397,1.11
"D_Fructose_2_6_bisphosphate","bmse000275",12,19.51,1.19
"Ethanolamine","bmse000276",1,60.3171,12.5
"Ethanolamine","bmse000276",2,43.9507,8.05
"CTP","bmse000277",1,168.8983,5.15
"CTP","bmse000277",2,160.5208,4.42
"CTP","bmse000277",3,144.2311,8.6
"CTP","bmse000277",4,99.3524,9.52
"CTP","bmse000277",5,91.8085,11.04
"CTP","bmse000277",6,85.501,5.68
"CTP","bmse000277",7,85.4107,5.57
"CTP","bmse000277",8,77.0203,1.35
"CTP","bmse000277",9,76.8989,12.5
"CTP","bmse000277",10,71.7933,11.89
"CTP","bmse000277",11,71.4631,1.06
"CTP","bmse000277",12,67.272,4.2
"CTP","bmse000277",13,67.2177,4.39
"D_Ribulose_5_phosphate","bmse000278",1,103.8241,7.82
"D_Ribulose_5_phosphate","bmse000278",2,98.9771,2.24
"D_Ribulose_5_phosphate","bmse000278",3,85.3023,1.6
"D_Ribulose_5_phosphate","bmse000278",4,84.6704,3.81
"D_Ribulose_5_phosphate","bmse000278",5,84.5875,4.13
"D_Ribulose_5_phosphate","bmse000278",6,78.03,9.99
"D_Ribulose_5_phosphate","bmse000278",7,73.4112,12.5
"D_Ribulose_5_phosphate","bmse000278",8,72.931,3.83
"D_Ribulose_5_phosphate","bmse000278",9,67.3547,5.39
"D_Ribulose_5_phosphate","bmse000278",10,67.3093,5.5
"D_Ribulose_5_phosphate","bmse000278",11,66.4813,2.3
"Urocanate","bmse000279",1,178.6198,2.5
"Urocanate","bmse000279",2,140.3626,11.29
"Urocanate","bmse000279",3,137.0776,2.14
"Urocanate","bmse000279",4,133.668,10.36
"Urocanate","bmse000279",5,124.4849,12.5
"Urocanate","bmse000279",6,123.9802,8.38
"UMP","bmse000280",1,169.0839,4.57
"UMP","bmse000280",2,154.6578,3.41
"UMP","bmse000280",3,144.8275,8.54
"UMP","bmse000280",4,105.3924,10.43
"UMP","bmse000280",5,91.006,11.31
"UMP","bmse000280",6,86.9204,5.97
"UMP","bmse000280",7,86.8326,6.05
"UMP","bmse000280",8,76.6643,12.5
"UMP","bmse000280",9,72.7729,12.16
"UMP","bmse000280",10,65.9126,4.79
"UMP","bmse000280",11,65.8681,4.9
"Nicotinamide","bmse000281",1,154.5266,12.5
"Nicotinamide","bmse000281",2,150.344,11.49
"Nicotinamide","bmse000281",3,139.1539,11.48
"Nicotinamide","bmse000281",4,131.9398,1.76
"Nicotinamide","bmse000281",5,126.9235,10.76
"DL_Alanine","bmse000282",1,178.5738,1.77
"DL_Alanine","bmse000282",2,53.2017,9.6
"DL_Alanine","bmse000282",3,18.85,12.5
"Orotate","bmse000283",1,104.064,12.5
"Benzonitrile","bmse000284",1,136.2019,8.6
"Benzonitrile","bmse000284",2,135.1116,12.5
"Benzonitrile","bmse000284",3,131.8912,12.48
"Choline","bmse000285",1,70.1479,3.39
"Choline","bmse000285",2,70.1177,3.59
"Choline","bmse000285",3,70.0875,3.34
"Choline","bmse000285",4,58.3089,8.06
"Choline","bmse000285",5,56.621,11.8
"Choline","bmse000285",6,56.5813,12.5
"Choline","bmse000285",7,56.542,12.01
"Acetophenone","bmse000286",1,136.8469,7.17
"Acetophenone","bmse000286",2,131.5104,12.5
"Acetophenone","bmse000286",3,131.2516,11.84
"Acetophenone","bmse000286",4,28.9711,3.47
"Pantothenate","bmse000287",1,183.0208,3.24
"Pantothenate","bmse000287",2,177.6531,4.02
"Pantothenate","bmse000287",3,78.4586,12.5
"Pantothenate","bmse000287",4,71.0985,10.81
"Pantothenate","bmse000287",5,41.2778,8.26
"Pantothenate","bmse000287",6,39.3779,10.45
"Pantothenate","bmse000287",7,38.8533,9.94
"Pantothenate","bmse000287",8,23.2349,9.96
"Pantothenate","bmse000287",9,21.8424,10.1
"Pyridoxine","bmse000288",1,163.4259,2.28
"Pyridoxine","bmse000288",2,146.9983,3.52
"Pyridoxine","bmse000288",3,141.4468,3.78
"Pyridoxine","bmse000288",4,138.1842,4.52
"Pyridoxine","bmse000288",5,127.4073,3.84
"Pyridoxine","bmse000288",6,61.4656,12.5
"Pyridoxine","bmse000288",7,58.6687,10.33
"Pyridoxine","bmse000288",8,18.2013,8.23
"S_Adenosyl_L_homocysteine","bmse000289",1,176.8876,4.61
"S_Adenosyl_L_homocysteine","bmse000289",2,158.3878,3.44
"S_Adenosyl_L_homocysteine","bmse000289",3,155.6615,9.39
"S_Adenosyl_L_homocysteine","bmse000289",4,151.6956,3.2
"S_Adenosyl_L_homocysteine","bmse000289",5,142.814,7.91
"S_Adenosyl_L_homocysteine","bmse000289",6,121.5644,2.04
"S_Adenosyl_L_homocysteine","bmse000289",7,90.125,10.63
"S_Adenosyl_L_homocysteine","bmse000289",8,90.0104,2.04
"S_Adenosyl_L_homocysteine","bmse000289",9,86.1029,11.9
"S_Adenosyl_L_homocysteine","bmse000289",10,75.9715,11.38
"S_Adenosyl_L_homocysteine","bmse000289",11,75.0004,12.5
"S_Adenosyl_L_homocysteine","bmse000289",12,56.4364,10.43
"S_Adenosyl_L_homocysteine","bmse000289",13,36.2065,8.4
"S_Adenosyl_L_homocysteine","bmse000289",14,33.1203,8.91
"S_Adenosyl_L_homocysteine","bmse000289",15,30.4627,9.14
"Phenol","bmse000290",1,132.703,11.87
"Phenol","bmse000290",2,123.3534,6.56
"Phenol","bmse000290",3,118.0886,12.5
"Selenomethionine","bmse000291",1,176.8764,2.7
"Selenomethionine","bmse000291",2,57.3265,11.71
"Selenomethionine","bmse000291",3,33.5106,11.73
"Selenomethionine","bmse000291",4,21.8408,12.5
"Selenomethionine","bmse000291",5,5.875,6.96
"UDPglucuronate","bmse000292",1,179.1513,4.63
"UDPglucuronate","bmse000292",2,169.0242,5.14
"UDPglucuronate","bmse000292",3,154.6097,3.93
"UDPglucuronate","bmse000292",4,144.2873,8.42
"UDPglucuronate","bmse000292",5,105.4108,10.1
"UDPglucuronate","bmse000292",6,98.1166,5.83
"UDPglucuronate","bmse000292",7,98.0506,5.78
"UDPglucuronate","bmse000292",8,91.0126,10.69
"UDPglucuronate","bmse000292",9,86.0368,5.52
"UDPglucuronate","bmse000292",10,85.9455,5.68
"UDPglucuronate","bmse000292",11,76.498,12.5
"UDPglucuronate","bmse000292",12,75.7603,10.99
"UDPglucuronate","bmse000292",13,75.2986,10.18
"UDPglucuronate","bmse000292",14,74.5675,11.19
"UDPglucuronate","bmse000292",15,74.1227,5.66
"UDPglucuronate","bmse000292",16,74.0395,5.54
"UDPglucuronate","bmse000292",17,72.367,11.96
"UDPglucuronate","bmse000292",18,67.7081,4.35
"UDPglucuronate","bmse000292",19,67.6532,4.54
"UDPglucuronate","bmse000292",20,60.142,1.01
"UDPglucuronate","bmse000292",21,19.5053,1.3
"Hydroquinone","bmse000293",1,151.6552,1.09
"Hydroquinone","bmse000293",2,119.0705,12.5
"Methanol","bmse000294",1,51.571,12.5
"Methanol","bmse000294",2,8.3835,1.29
"UTP","bmse000295",1,169.0527,4.84
"UTP","bmse000295",2,154.6305,3.56
"UTP","bmse000295",3,144.4685,8.62
"UTP","bmse000295",4,105.3558,9.9
"UTP","bmse000295",5,90.9803,10.91
"UTP","bmse000295",6,86.0794,5.45
"UTP","bmse000295",7,85.9897,5.66
"UTP","bmse000295",8,76.4645,12.5
"UTP","bmse000295",9,72.1667,11.59
"UTP","bmse000295",10,67.5196,4.26
"UTP","bmse000295",11,67.4644,4.32
"UTP","bmse000295",12,60.1427,1.1
"dTMP","bmse000296",1,169.2356,1.23
"dTMP","bmse000296",2,160.5265,1.29
"dTMP","bmse000296",3,154.4333,1.31
"dTMP","bmse000296",4,140.1216,3.35
"dTMP","bmse000296",5,114.2982,2.37
"dTMP","bmse000296",6,88.3382,2.04
"dTMP","bmse000296",7,88.2519,1.87
"dTMP","bmse000296",8,87.8416,3.66
"dTMP","bmse000296",9,73.7576,4.03
"dTMP","bmse000296",10,69.7071,3.43
"dTMP","bmse000296",11,69.6331,3.39
"dTMP","bmse000296",12,68.674,6.88
"dTMP","bmse000296",13,67.0077,1.54
"dTMP","bmse000296",14,66.9519,1.6
"dTMP","bmse000296",15,57.1741,5.62
"dTMP","bmse000296",16,50.7174,6.42
"dTMP","bmse000296",17,47.4494,6.5
"dTMP","bmse000296",18,41.3959,3.4
"dTMP","bmse000296",19,35.6124,12.5
"dTMP","bmse000296",20,27.378,11.97
"dTMP","bmse000296",21,27.3297,7.39
"dTMP","bmse000296",22,14.3887,4.03
"Ethanol","bmse000297",1,60.1347,10.57
"Ethanol","bmse000297",2,19.4922,12.5
"D_Glyceraldehyde","bmse000298",1,92.4619,11.47
"D_Glyceraldehyde","bmse000298",2,76.7643,11.97
"D_Glyceraldehyde","bmse000298",3,67.5383,2.02
"D_Glyceraldehyde","bmse000298",4,64.6757,12.5
"Folate","bmse000299",1,185.1947,10.02
"Folate","bmse000299",2,182.1813,8.33
"Folate","bmse000299",3,171.6618,6.23
"Folate","bmse000299",4,167.4706,1.1
"Folate","bmse000299",5,156.8561,3.58
"Folate","bmse000299",6,154.9662,1.2
"Folate","bmse000299",7,152.4534,5.63
"Folate","bmse000299",8,150.9644,2.57
"Folate","bmse000299",9,150.4027,4.37
"Folate","bmse000299",10,131.6987,1.03
"Folate","bmse000299",11,131.3015,7.38
"Folate","bmse000299",12,129.0129,4.84
"Folate","bmse000299",13,123.0856,5.17
"Folate","bmse000299",14,113.9108,6.41
"Folate","bmse000299",15,58.6333,8.76
"Folate","bmse000299",16,47.4239,2.98
"Folate","bmse000299",17,37.0651,12.5
"Folate","bmse000299",18,31.1742,7.87
"Benzoate","bmse000300",1,138.9121,1.04
"Benzoate","bmse000300",2,133.9731,7.03
"Benzoate","bmse000300",3,131.4957,12.46
"Benzoate","bmse000300",4,131.0181,12.5
"1_3_diaminopropane","bmse000001",1,39.3182,12.5
"1_3_diaminopropane","bmse000001",2,27.6038,6.62
"2_3_diphospho_D_glyceric_acid","bmse000002",1,180.6244,6.14
"2_3_diphospho_D_glyceric_acid","bmse000002",2,77.8926,9.81
"2_3_diphospho_D_glyceric_acid","bmse000002",3,77.8397,8.95
"2_3_diphospho_D_glyceric_acid","bmse000002",4,77.8017,8.58
"2_3_diphospho_D_glyceric_acid","bmse000002",5,77.7593,8.04
"2_3_diphospho_D_glyceric_acid","bmse000002",6,69.2089,12.5
"2_deoxyguanosine","bmse000003",1,140.4376,7.32
"2_deoxyguanosine","bmse000003",2,89.8652,7.61
"2_deoxyguanosine","bmse000003",3,86.6745,9.57
"2_deoxyguanosine","bmse000003",4,73.9059,12.5
"2_deoxyguanosine","bmse000003",5,64.3305,8.45
"2_deoxyguanosine","bmse000003",6,41.3976,8.86
"adenine","bmse000060",1,153.1875,0.8
"adenine","bmse000060",2,151.829,1.02
"adenine","bmse000060",3,147.5748,11.47
"adenine","bmse000060",4,146.3944,12.5
"adenine","bmse000060",5,118.324,0.66
"adenosine","bmse000061",1,155.2065,8.59
"adenosine","bmse000061",2,151.091,3.13
"adenosine","bmse000061",3,143.2708,6.58
"adenosine","bmse000061",4,91.0332,10.74
"adenosine","bmse000061",5,88.5401,11.36
"adenosine","bmse000061",6,76.3929,12.5
"adenosine","bmse000061",7,73.3525,11.01
"adenosine","bmse000061",8,64.2162,10.03
"adenosine","bmse000061",9,133.0864,1.07
"adonitol","bmse000062",1,74.8925,6.76
"adonitol","bmse000062",2,74.8008,11.44
"adonitol","bmse000062",3,65.0705,12.5
"ADP","bmse000004",1,158.1533,6.68
"ADP","bmse000004",2,155.4207,12.01
"ADP","bmse000004",3,151.6456,1.97
"ADP","bmse000004",4,151.5495,1.81
"ADP","bmse000004",5,142.8127,2.95
"ADP","bmse000004",6,142.5832,3.64
"ADP","bmse000004",7,121.1747,1.72
"ADP","bmse000004",8,89.778,10.17
"ADP","bmse000004",9,89.5551,6.01
"ADP","bmse000004",10,87.4621,3.15
"ADP","bmse000004",11,87.3746,3.43
"ADP","bmse000004",12,86.4858,4.81
"ADP","bmse000004",13,86.3979,5.28
"ADP","bmse000004",14,77.2288,6.53
"ADP","bmse000004",15,77.0622,12.5
"ADP","bmse000004",16,73.4056,6.43
"ADP","bmse000004",17,72.6057,12.04
"ADP","bmse000004",18,67.1794,3.82
"ADP","bmse000004",19,67.1297,3.91
"ADP","bmse000004",20,66.2518,2.61
"ADP","bmse000004",21,66.2091,2.71
"agmatine","bmse000063",1,159.5178,1.15
"agmatine","bmse000063",2,43.1542,9.26
"agmatine","bmse000063",3,41.7324,8.53
"agmatine","bmse000063",4,27.7024,11.07
"agmatine","bmse000063",5,26.715,12.5
"D_allose","bmse000008",1,96.1036,10.7
"D_allose","bmse000008",2,95.5286,1.55
"D_allose","bmse000008",3,76.2932,11.82
"D_allose","bmse000008",4,74.3841,1.58
"D_allose","bmse000008",5,73.9304,11.03
"D_allose","bmse000008",6,73.8513,12.02
"D_allose","bmse000008",7,69.7109,1.21
"D_allose","bmse000008",8,69.5516,1.22
"D_allose","bmse000008",9,69.4757,12.5
"D_allose","bmse000008",10,68.7507,2.03
"D_allose","bmse000008",11,63.8517,10.79
"D_allose","bmse000008",12,63.3663,1.24
"D_fructose","bmse000010",1,100.7878,2.8
"D_fructose","bmse000010",2,83.3844,4
"D_fructose","bmse000010",3,78.7409,1.35
"D_fructose","bmse000010",4,78.0833,3.23
"D_fructose","bmse000010",5,77.1431,3.97
"D_fructose","bmse000010",6,72.3808,12.5
"D_fructose","bmse000010",7,71.9017,10.92
"D_fructose","bmse000010",8,70.2559,10.72
"D_fructose","bmse000010",9,66.587,11.06
"D_fructose","bmse000010",10,66.0735,12.1
"D_fructose","bmse000010",11,65.3682,3.85
"D_fructose","bmse000010",12,65.074,4.07
"D_galactose","bmse000013",1,99.1714,10.5
"D_galactose","bmse000013",2,94.9986,5.59
"D_galactose","bmse000013",3,77.8681,12.5
"D_galactose","bmse000013",4,75.5121,11.36
"D_galactose","bmse000013",5,74.5893,11.5
"D_galactose","bmse000013",6,73.1956,6.08
"D_galactose","bmse000013",7,72.0185,5.93
"D_galactose","bmse000013",8,71.879,5.94
"D_galactose","bmse000013",9,71.4595,12.5
"D_galactose","bmse000013",10,71.0589,5.22
"D_galactose","bmse000013",11,63.8951,5.64
"D_galactose","bmse000013",12,63.6909,11.96
"D_glucose","bmse000015",1,98.6177,12.18
"D_glucose","bmse000015",2,94.8017,7.46
"D_glucose","bmse000015",3,78.6602,12.5
"D_glucose","bmse000015",4,78.46,12.38
"D_glucose","bmse000015",5,76.8429,11.94
"D_glucose","bmse000015",6,75.4621,6.95
"D_glucose","bmse000015",7,74.1868,7.96
"D_glucose","bmse000015",8,74.1521,7.85
"D_glucose","bmse000015",9,72.3476,7.59
"D_glucose","bmse000015",10,72.3041,12.25
"D_glucose","bmse000015",11,63.4496,11.55
"D_glucose","bmse000015",12,63.2877,6.43
"D_mannose","bmse000018",1,96.747,10.66
"D_mannose","bmse000018",2,96.3827,5.27
"D_mannose","bmse000018",3,78.8753,4.9
"D_mannose","bmse000018",4,75.7486,5.48
"D_mannose","bmse000018",5,75.1093,11.15
"D_mannose","bmse000018",6,73.9252,5.51
"D_mannose","bmse000018",7,73.3921,10.59
"D_mannose","bmse000018",8,72.9329,10.68
"D_mannose","bmse000018",9,69.5495,10.82
"D_mannose","bmse000018",10,69.3058,5.88
"D_mannose","bmse000018",11,63.666,12.5
"D_psicose","bmse000020",1,105.9793,2.62
"D_psicose","bmse000020",2,101.1482,2.31
"D_psicose","bmse000020",3,85.4184,12.5
"D_psicose","bmse000020",4,77.3405,2.67
"D_psicose","bmse000020",5,74.437,5.54
"D_psicose","bmse000020",6,73.7152,3.61
"D_psicose","bmse000020",7,73.0555,10.59
"D_psicose","bmse000020",8,73.0326,11.16
"D_psicose","bmse000020",9,72.9119,5.49
"D_psicose","bmse000020",10,71.7174,6.08
"D_psicose","bmse000020",11,68.562,7.08
"D_psicose","bmse000020",12,68.1859,7.9
"D_psicose","bmse000020",13,67.7838,6.98
"D_psicose","bmse000020",14,66.8844,6.45
"D_psicose","bmse000020",15,66.6778,4.36
"D_psicose","bmse000020",16,65.9583,9.93
"D_psicose","bmse000020",17,65.7568,6.2
"D_psicose","bmse000020",18,65.5148,3.26
"D_psicose","bmse000020",19,65.0727,3.8
"D_psicose","bmse000020",20,64.029,7.13
"D_psicose","bmse000020",21,60.6736,5.34
"D_sorbose","bmse000022",1,100.4423,2.8
"D_sorbose","bmse000022",2,76.5308,8.63
"D_sorbose","bmse000022",3,73.0506,8.72
"D_sorbose","bmse000022",4,72.1197,12.5
"D_sorbose","bmse000022",5,66.1492,9.88
"D_sorbose","bmse000022",6,64.4696,11
"D_tagatose","bmse000023",1,100.9098,3.49
"D_tagatose","bmse000023",2,73.6229,12.5
"D_tagatose","bmse000023",3,72.484,10.38
"D_tagatose","bmse000023",4,71.9743,2.2
"D_tagatose","bmse000023",5,69.0595,10.53
"D_tagatose","bmse000023",6,66.5918,10.06
"D_tagatose","bmse000023",7,66.403,1.92
"D_tagatose","bmse000023",8,66.1917,1.73
"D_tagatose","bmse000023",9,64.9495,7.98
"D_tagatose","bmse000023",10,62.8345,1.69
"D_xylose","bmse000026",1,99.3304,11.78
"D_xylose","bmse000026",2,94.9405,6.48
"D_xylose","bmse000026",3,78.526,10.11
"D_xylose","bmse000026",4,76.7418,12.5
"D_xylose","bmse000026",5,75.5229,5.77
"D_xylose","bmse000026",6,74.1661,6.42
"D_xylose","bmse000026",7,72.1118,6.54
"D_xylose","bmse000026",8,71.9378,12.28
"D_xylose","bmse000026",9,67.899,10.25
"D_xylose","bmse000026",10,63.6456,5.21
"alpha_ketoglutaric_acid","bmse000064",1,184.1528,2.07
"alpha_ketoglutaric_acid","bmse000064",2,38.5723,12.5
"alpha_ketoglutaric_acid","bmse000064",3,33.3219,9.83
"alpha_lactose","bmse000065",1,105.6382,8.25
"alpha_lactose","bmse000065",2,98.4725,7.33
"alpha_lactose","bmse000065",3,94.539,4.05
"alpha_lactose","bmse000065",4,81.1636,3.89
"alpha_lactose","bmse000065",5,81.0377,6.84
"alpha_lactose","bmse000065",6,78.0734,12.5
"alpha_lactose","bmse000065",7,77.522,7.34
"alpha_lactose","bmse000065",8,77.0808,7.32
"alpha_lactose","bmse000065",9,76.5296,7.28
"alpha_lactose","bmse000065",10,75.2407,11.24
"alpha_lactose","bmse000065",11,74.1286,4.28
"alpha_lactose","bmse000065",12,73.8715,4.75
"alpha_lactose","bmse000065",13,73.6835,9.31
"alpha_lactose","bmse000065",14,72.8271,3.84
"alpha_lactose","bmse000065",15,71.272,8.2
"alpha_lactose","bmse000065",16,63.7524,7.27
"alpha_lactose","bmse000065",17,62.8108,4.95
"alpha_lactose","bmse000065",18,62.6765,3.11
"4_aminobenzoic_acid","bmse000066",1,133.5667,12.5
"4_aminobenzoic_acid","bmse000066",2,128.9442,1.1
"4_aminobenzoic_acid","bmse000066",3,117.8119,11.36
"AMP","bmse000005",1,158.1415,3.52
"AMP","bmse000005",2,155.4083,9.41
"AMP","bmse000005",3,151.6344,4.45
"AMP","bmse000005",4,142.8031,7.78
"AMP","bmse000005",5,121.1486,2.72
"AMP","bmse000005",6,89.5563,11.53
"AMP","bmse000005",7,87.4594,6.04
"AMP","bmse000005",8,87.3722,6.06
"AMP","bmse000005",9,77.2299,12.5
"AMP","bmse000005",10,73.4036,12.24
"AMP","bmse000005",11,66.25,4.83
"AMP","bmse000005",12,66.2055,5.13
"anthranilic_acid","bmse000067",1,150.2702,2.1
"anthranilic_acid","bmse000067",2,134.7227,10.28
"anthranilic_acid","bmse000067",3,133.6538,12.5
"anthranilic_acid","bmse000067",4,123.4956,1.99
"anthranilic_acid","bmse000067",5,120.6937,11.1
"anthranilic_acid","bmse000067",6,120.3926,11.42
"L_arabitol","bmse000068",1,73.609,12.5
"L_arabitol","bmse000068",2,73.1399,11.93
"L_arabitol","bmse000068",3,72.9514,12.49
"L_arabitol","bmse000068",4,65.7296,10.81
"L_arabitol","bmse000068",5,65.6383,9.86
"ATP","bmse000006",1,158.2621,4.05
"ATP","bmse000006",2,155.4997,9.32
"ATP","bmse000006",3,151.7848,3.62
"ATP","bmse000006",4,142.6155,7.12
"ATP","bmse000006",5,121.2616,2.51
"ATP","bmse000006",6,89.3634,10.94
"ATP","bmse000006",7,86.7432,5.75
"ATP","bmse000006",8,86.6543,5.65
"ATP","bmse000006",9,76.9481,12.5
"ATP","bmse000006",10,72.9427,11.75
"ATP","bmse000006",11,67.8017,4.32
"ATP","bmse000006",12,67.7473,4.42
"betaine","bmse000069",1,171.9654,1.21
"betaine","bmse000069",2,68.893,3.07
"betaine","bmse000069",3,68.8587,3.29
"betaine","bmse000069",4,68.8297,3.27
"betaine","bmse000069",5,56.0898,10.14
"betaine","bmse000069",6,56.0509,12.5
"betaine","bmse000069",7,56.0118,10.21
"betaine_aldehyde","bmse000070",1,87.5694,9.74
"betaine_aldehyde","bmse000070",2,56.9587,10.45
"betaine_aldehyde","bmse000070",3,56.9195,12.5
"betaine_aldehyde","bmse000070",4,56.8886,11.17
"cadaverine","bmse000072",1,41.871,11.66
"cadaverine","bmse000072",2,28.9617,12.5
"cadaverine","bmse000072",3,25.3762,5.64
"cAMP","bmse000071",1,158.0318,4.3
"cAMP","bmse000071",2,155.524,10.63
"cAMP","bmse000071",3,150.7719,4.62
"cAMP","bmse000071",4,142.3466,9.68
"cAMP","bmse000071",5,121.2041,3.29
"cAMP","bmse000071",6,94.2109,12.5
"cAMP","bmse000071",7,80.0206,6.2
"cAMP","bmse000071",8,79.9754,6.98
"cAMP","bmse000071",9,75.0214,7.05
"cAMP","bmse000071",10,74.9418,7.25
"cAMP","bmse000071",11,74.463,6.46
"cAMP","bmse000071",12,70.0836,5.58
"cAMP","bmse000071",13,70.0142,5.05
"L_canavanine","bmse000073",1,177.0117,3.9
"L_canavanine","bmse000073",2,161.2671,2
"L_canavanine","bmse000073",3,74.5403,11.99
"L_canavanine","bmse000073",4,55.2855,12.02
"L_canavanine","bmse000073",5,31.809,12.5
"D_carnitine","bmse000074",1,180.7779,2.25
"D_carnitine","bmse000074",2,72.8193,4.47
"D_carnitine","bmse000074",3,72.7942,3.83
"D_carnitine","bmse000074",4,66.791,9.37
"D_carnitine","bmse000074",5,56.8328,10.48
"D_carnitine","bmse000074",6,56.7941,12.5
"D_carnitine","bmse000074",7,56.7554,10.44
"D_carnitine","bmse000074",8,45.6802,6.79
"chorismic_acid","bmse000075",1,155.9825,4.51
"chorismic_acid","bmse000075",2,137.1007,3.63
"chorismic_acid","bmse000075",3,132.6303,11.7
"chorismic_acid","bmse000075",4,131.7674,9.54
"chorismic_acid","bmse000075",5,126.7891,9.9
"chorismic_acid","bmse000075",6,95.5643,8.84
"chorismic_acid","bmse000075",7,82.3153,12.5
"chorismic_acid","bmse000075",8,72.8256,12.45
"citrate","bmse000076",1,184.7215,1.13
"citrate","bmse000076",2,182.0353,2.11
"citrate","bmse000076",3,77.9249,1.44
"citrate","bmse000076",4,48.4023,12.5
"coumarin","bmse000077",1,163.4646,0.72
"coumarin","bmse000077",2,156.7265,1.12
"coumarin","bmse000077",3,146.1206,6.54
"coumarin","bmse000077",4,134.5133,12.5
"coumarin","bmse000077",5,130.5441,8.87
"coumarin","bmse000077",6,127.1083,11.93
"coumarin","bmse000077",7,121.5098,1.08
"coumarin","bmse000077",8,119.5804,6.82
"coumarin","bmse000077",9,119.3784,7.14
"creatine","bmse000078",1,177.3494,1.87
"creatine","bmse000078",2,56.549,12.5
"creatine","bmse000078",3,39.6249,7.16
"creatine_phosphate","bmse000079",1,177.5977,1.69
"creatine_phosphate","bmse000079",2,56.5658,12.5
"creatine_phosphate","bmse000079",3,39.5149,7.02
"dehydro_proline","bmse000080",1,174.9837,1.15
"dehydro_proline","bmse000080",2,128.3998,11.9
"dehydro_proline","bmse000080",3,128.1163,10.28
"dehydro_proline","bmse000080",4,71.129,8.12
"dehydro_proline","bmse000080",5,55.1054,12.5
"D_3_phosphoglyceric_acid","bmse000007",1,181.5589,4.18
"D_3_phosphoglyceric_acid","bmse000007",2,75.6758,11.64
"D_3_phosphoglyceric_acid","bmse000007",3,75.5997,9.71
"D_3_phosphoglyceric_acid","bmse000007",4,69.5144,10.45
"D_3_phosphoglyceric_acid","bmse000007",5,69.4639,12.5
"D_fructose_1_6_bisphosphate","bmse000011",1,107.7441,1.24
"D_fructose_1_6_bisphosphate","bmse000011",2,107.6859,1.45
"D_fructose_1_6_bisphosphate","bmse000011",3,103.7998,2.79
"D_fructose_1_6_bisphosphate","bmse000011",4,103.7169,2.58
"D_fructose_1_6_bisphosphate","bmse000011",5,84.7524,1.84
"D_fructose_1_6_bisphosphate","bmse000011",6,84.6734,1.8
"D_fructose_1_6_bisphosphate","bmse000011",7,84.1618,3.88
"D_fructose_1_6_bisphosphate","bmse000011",8,82.4331,4.33
"D_fructose_1_6_bisphosphate","bmse000011",9,82.3517,4.54
"D_fructose_1_6_bisphosphate","bmse000011",10,79.436,3.58
"D_fructose_1_6_bisphosphate","bmse000011",11,78.4857,12.5
"D_fructose_1_6_bisphosphate","bmse000011",12,76.8309,8.44
"D_fructose_1_6_bisphosphate","bmse000011",13,68.3534,4.96
"D_fructose_1_6_bisphosphate","bmse000011",14,67.3714,1.78
"D_fructose_1_6_bisphosphate","bmse000011",15,67.0519,6.07
"D_fructose_1_6_bisphosphate","bmse000011",16,67.0078,5.96
"D_fructose_1_6_bisphosphate","bmse000011",17,66.9036,2.2
"D_fructose_1_6_bisphosphate","bmse000011",18,66.8591,2.2
"D_fructose_6_phosphate","bmse000012",1,107.1352,1.18
"D_fructose_6_phosphate","bmse000012",2,104.1799,5.96
"D_fructose_6_phosphate","bmse000012",3,84.4579,2.69
"D_fructose_6_phosphate","bmse000012",4,83.1582,1.38
"D_fructose_6_phosphate","bmse000012",5,83.081,1.12
"D_fructose_6_phosphate","bmse000012",6,82.6592,6.1
"D_fructose_6_phosphate","bmse000012",7,82.5783,5.8
"D_fructose_6_phosphate","bmse000012",8,78.536,2.85
"D_fructose_6_phosphate","bmse000012",9,77.8697,12.5
"D_fructose_6_phosphate","bmse000012",10,77.0604,11.73
"D_fructose_6_phosphate","bmse000012",11,67.0498,5.65
"D_fructose_6_phosphate","bmse000012",12,67.0041,5.36
"D_fructose_6_phosphate","bmse000012",13,66.1661,1.42
"D_fructose_6_phosphate","bmse000012",14,65.5593,2.38
"D_fructose_6_phosphate","bmse000012",15,65.331,9.82
"D_glucosamine","bmse000014",1,96.4205,8.72
"D_glucosamine","bmse000014",2,92.2506,9.77
"D_glucosamine","bmse000014",3,78.8513,9.64
"D_glucosamine","bmse000014",4,75.5831,6.35
"D_glucosamine","bmse000014",5,74.3295,12.27
"D_glucosamine","bmse000014",6,72.756,10.13
"D_glucosamine","bmse000014",7,72.4003,6.63
"D_glucosamine","bmse000014",8,72.3164,12.5
"D_glucosamine","bmse000014",9,63.2588,6.09
"D_glucosamine","bmse000014",10,63.0618,8.38
"D_glucosamine","bmse000014",11,59.6201,8.02
"D_glucosamine","bmse000014",12,57.0959,11.82
"D_glucose_6_phosphate","bmse000016",1,98.7788,8.55
"D_glucose_6_phosphate","bmse000016",2,94.9276,4.89
"D_glucose_6_phosphate","bmse000016",3,78.1764,4.82
"D_glucose_6_phosphate","bmse000016",4,78.106,3.56
"D_glucose_6_phosphate","bmse000016",5,77.9455,6.69
"D_glucose_6_phosphate","bmse000016",6,76.9831,9.41
"D_glucose_6_phosphate","bmse000016",7,75.0341,3.92
"D_glucose_6_phosphate","bmse000016",8,74.314,4.27
"D_glucose_6_phosphate","bmse000016",9,73.8171,2.12
"D_glucose_6_phosphate","bmse000016",10,73.7484,2.83
"D_glucose_6_phosphate","bmse000016",11,71.7635,12.5
"D_glucose_6_phosphate","bmse000016",12,65.5737,3.84
"D_glucose_6_phosphate","bmse000016",13,65.5308,3.24
"D_glucose_6_phosphate","bmse000016",14,65.4799,2.31
"D_maltose","bmse000017",1,102.3099,6.16
"D_maltose","bmse000017",2,102.2275,9.38
"D_maltose","bmse000017",3,98.4704,10.34
"D_maltose","bmse000017",4,94.5912,6.33
"D_maltose","bmse000017",5,79.5285,5.17
"D_maltose","bmse000017",6,79.3217,8.47
"D_maltose","bmse000017",7,78.9276,9.15
"D_maltose","bmse000017",8,77.2648,10.83
"D_maltose","bmse000017",9,76.7045,8.61
"D_maltose","bmse000017",10,75.9471,5.48
"D_maltose","bmse000017",11,75.5584,7.84
"D_maltose","bmse000017",12,75.5345,10.55
"D_maltose","bmse000017",13,75.3859,9.92
"D_maltose","bmse000017",14,74.4492,5.89
"D_maltose","bmse000017",15,74.3558,8.17
"D_maltose","bmse000017",16,73.9924,5.77
"D_maltose","bmse000017",17,72.6486,6.16
"D_maltose","bmse000017",18,72.0198,8.44
"D_maltose","bmse000017",19,63.4361,6.09
"D_maltose","bmse000017",20,63.2871,4.41
"D_maltose","bmse000017",21,63.1596,12.5
"D_ornithine","bmse000019",1,56.8208,12.5
"D_ornithine","bmse000019",2,41.5722,10.12
"D_ornithine","bmse000019",3,30.1825,12.11
"D_ornithine","bmse000019",4,25.4604,8.77
"D_threo_isocitric_acid","bmse000025",1,183.683,6.79
"D_threo_isocitric_acid","bmse000025",2,182.958,3.11
"D_threo_isocitric_acid","bmse000025",3,76.3916,11.16
"D_threo_isocitric_acid","bmse000025",4,51.8047,12.5
"D_threo_isocitric_acid","bmse000025",5,40.3285,10.98
"D_xylulose","bmse000027",1,108.4502,1.01
"D_xylulose","bmse000027",2,105.6511,3.08
"D_xylulose","bmse000027",3,83.18,3.1
"D_xylulose","bmse000027",4,78.9065,11.61
"D_xylulose","bmse000027",5,78.5426,3.96
"D_xylulose","bmse000027",6,78.011,2.93
"D_xylulose","bmse000027",7,77.5565,9.89
"D_xylulose","bmse000027",8,74.6749,2.45
"D_xylulose","bmse000027",9,74.6163,2.47
"D_xylulose","bmse000027",10,72.5201,10.76
"D_xylulose","bmse000027",11,68.7345,3.03
"D_xylulose","bmse000027",12,65.6799,12.5
"D_xylulose","bmse000027",13,65.1062,3.07
"D_xylulose","bmse000027",14,64.5556,3.06
"fumaric_acid","bmse000083",1,177.424,1.91
"fumaric_acid","bmse000083",2,138.042,12.5
"gluconic_acid","bmse000084",1,181.3386,1.89
"gluconic_acid","bmse000084",2,76.7743,10.33
"gluconic_acid","bmse000084",3,75.2613,9.8
"gluconic_acid","bmse000084",4,73.8705,12.36
"gluconic_acid","bmse000084",5,73.6525,10.2
"gluconic_acid","bmse000084",6,65.308,12.5
"alpha_D_glucose_1_phosphate","bmse000086",1,96.3867,5.99
"alpha_D_glucose_1_phosphate","bmse000086",2,96.3335,6.2
"alpha_D_glucose_1_phosphate","bmse000086",3,75.8391,10.34
"alpha_D_glucose_1_phosphate","bmse000086",4,74.9392,5.94
"alpha_D_glucose_1_phosphate","bmse000086",5,74.871,6.51
"alpha_D_glucose_1_phosphate","bmse000086",6,74.7037,12.5
"alpha_D_glucose_1_phosphate","bmse000086",7,72.4482,11.49
"alpha_D_glucose_1_phosphate","bmse000086",8,63.3999,9.58
"alpha_D_glucose_1_6_bisphosphate","bmse000087",1,96.6014,6.13
"alpha_D_glucose_1_6_bisphosphate","bmse000087",2,96.5465,7.96
"alpha_D_glucose_1_6_bisphosphate","bmse000087",3,75.3449,11.03
"alpha_D_glucose_1_6_bisphosphate","bmse000087",4,75.0612,6.57
"alpha_D_glucose_1_6_bisphosphate","bmse000087",5,74.9873,7.68
"alpha_D_glucose_1_6_bisphosphate","bmse000087",6,74.3802,6.65
"alpha_D_glucose_1_6_bisphosphate","bmse000087",7,74.317,7.4
"alpha_D_glucose_1_6_bisphosphate","bmse000087",8,71.5781,12.5
"alpha_D_glucose_1_6_bisphosphate","bmse000087",9,65.3993,4.84
"alpha_D_glucose_1_6_bisphosphate","bmse000087",10,65.3536,5.06
"glycine","bmse000089",1,175.1557,1.97
"glycine","bmse000089",2,44.1252,12.5
"guanine","bmse000090",1,170.3632,9.04
"guanine","bmse000090",2,163.6535,12.5
"guanine","bmse000090",3,161.8796,11.9
"guanine","bmse000090",4,120.9619,9.12
"guanosine","bmse000091",1,170.5025,1.71
"guanosine","bmse000091",2,163.3657,1.47
"guanosine","bmse000091",3,153.5645,2.67
"guanosine","bmse000091",4,139.3656,9.14
"guanosine","bmse000091",5,121.0084,1.46
"guanosine","bmse000091",6,90.841,11.95
"guanosine","bmse000091",7,88.5938,12.21
"guanosine","bmse000091",8,75.8197,12.21
"guanosine","bmse000091",9,73.7609,12.5
"guanosine","bmse000091",10,64.5009,9.96
"4_hydroxybenzoic_acid","bmse000092",1,161.2131,1.26
"4_hydroxybenzoic_acid","bmse000092",2,133.942,12.5
"4_hydroxybenzoic_acid","bmse000092",3,130.8287,1.62
"4_hydroxybenzoic_acid","bmse000092",4,117.592,10.22
"trans_3_hydroxycinnamic_acid","bmse000093",1,178.4192,2.27
"trans_3_hydroxycinnamic_acid","bmse000093",2,158.5422,3.6
"trans_3_hydroxycinnamic_acid","bmse000093",3,143.1901,8.95
"trans_3_hydroxycinnamic_acid","bmse000093",4,139.6042,3.48
"trans_3_hydroxycinnamic_acid","bmse000093",5,133.0298,11.46
"trans_3_hydroxycinnamic_acid","bmse000093",6,127.174,8.41
"trans_3_hydroxycinnamic_acid","bmse000093",7,122.9365,12.5
"trans_3_hydroxycinnamic_acid","bmse000093",8,119.3249,10.36
"trans_3_hydroxycinnamic_acid","bmse000093",9,116.6163,10.36
"hypoxanthine","bmse000094",1,164.9523,1.17
"hypoxanthine","bmse000094",2,159.7264,2.08
"hypoxanthine","bmse000094",3,150.37,10.69
"hypoxanthine","bmse000094",4,149.1756,12.5
"hypoxanthine","bmse000094",5,123.2364,1.06
"imidazole","bmse000096",1,137.7708,3.03
"imidazole","bmse000096",2,123.4233,12.5
"indole","bmse000097",1,138.3981,1.25
"indole","bmse000097",2,130.4755,1.24
"indole","bmse000097",3,126.7831,8.65
"indole","bmse000097",4,124.6229,12.5
"indole","bmse000097",5,123.3758,10.66
"indole","bmse000097",6,122.4493,10.48
"indole","bmse000097",7,113.6756,9.74
"indole","bmse000097",8,105.2378,11.58
"inosine","bmse000098",1,151.078,2.3
"inosine","bmse000098",2,148.9185,8.98
"inosine","bmse000098",3,142.8874,7.4
"inosine","bmse000098",4,126.8411,1.65
"inosine","bmse000098",5,91.1086,8.08
"inosine","bmse000098",6,88.2694,11.43
"inosine","bmse000098",7,76.7759,12.5
"inosine","bmse000098",8,73.0828,10.32
"inosine","bmse000098",9,64.0173,8.72
"i_erythritol","bmse000095",1,74.6148,12.5
"i_erythritol","bmse000095",2,65.3077,8.45
"L_alanine","bmse000028",1,178.5574,1.16
"L_alanine","bmse000028",2,53.2035,9.48
"L_alanine","bmse000028",3,18.8465,12.5
"L_arginine","bmse000029",1,177.2125,3.21
"L_arginine","bmse000029",2,57.0216,10.14
"L_arginine","bmse000029",3,43.2011,12.5
"L_arginine","bmse000029",4,30.2885,11.19
"L_arginine","bmse000029",5,26.5758,9.54
"L_asparagine","bmse000030",1,177.1771,1.47
"L_asparagine","bmse000030",2,176.209,1.94
"L_asparagine","bmse000030",3,53.9932,12.5
"L_asparagine","bmse000030",4,37.2983,11.26
"L_aspartic_acid","bmse000031",1,180.297,3.41
"L_aspartic_acid","bmse000031",2,176.9954,2.67
"L_aspartic_acid","bmse000031",3,54.9142,11.68
"L_aspartic_acid","bmse000031",4,39.2604,12.5
"L_citrulline","bmse000032",1,177.3878,3.15
"L_citrulline","bmse000032",2,164.2805,1.25
"L_citrulline","bmse000032",3,57.2048,11.84
"L_citrulline","bmse000032",4,41.9551,1.88
"L_citrulline","bmse000032",5,30.4444,12.5
"L_citrulline","bmse000032",6,27.6682,7.93
"L_cystathionine","bmse000033",1,56.4392,8
"L_cystathionine","bmse000033",2,56.2614,10.81
"L_cystathionine","bmse000033",3,34.8058,9.84
"L_cystathionine","bmse000033",4,32.8913,9.2
"L_cystathionine","bmse000033",5,29.7625,12.5
"L_cysteine","bmse000034",1,58.731,9.48
"L_cysteine","bmse000034",2,27.687,12.5
"L_cystine","bmse000035",1,183.331,3.03
"L_cystine","bmse000035",2,57.5783,12.5
"L_cystine","bmse000035",3,46.0281,10.99
"L_fucose","bmse000036",1,98.936,11.78
"L_fucose","bmse000036",2,94.9206,4.76
"L_fucose","bmse000036",3,75.6252,9.59
"L_fucose","bmse000036",4,74.6014,4.86
"L_fucose","bmse000036",5,74.3627,10.92
"L_fucose","bmse000036",6,74.1543,8.8
"L_fucose","bmse000036",7,73.586,9.85
"L_fucose","bmse000036",8,71.9701,4.6
"L_fucose","bmse000036",9,70.7832,3.67
"L_fucose","bmse000036",10,69.0314,4.4
"L_fucose","bmse000036",11,18.2232,12.5
"L_glutamic_acid","bmse000037",1,184.0438,2.16
"L_glutamic_acid","bmse000037",2,177.297,1.79
"L_glutamic_acid","bmse000037",3,57.3356,12.29
"L_glutamic_acid","bmse000037",4,36.1753,9.58
"L_glutamic_acid","bmse000037",5,29.6742,12.5
"L_glutamine","bmse000038",1,180.3694,1.86
"L_glutamine","bmse000038",2,176.8264,2.47
"L_glutamine","bmse000038",3,56.8326,9.96
"L_glutamine","bmse000038",4,33.528,10.99
"L_glutamine","bmse000038",5,28.9528,12.5
"L_histidine","bmse000039",1,176.6511,1.83
"L_histidine","bmse000039",2,138.9728,9.16
"L_histidine","bmse000039",3,134.6686,2.25
"L_histidine","bmse000039",4,119.5492,8.47
"L_histidine","bmse000039",5,57.4737,12.5
"L_histidine","bmse000039",6,30.7804,11.71
"L_homoserine","bmse000040",1,177.2374,1.7
"L_homoserine","bmse000040",2,61.3363,12.5
"L_homoserine","bmse000040",3,56.0719,8.39
"L_homoserine","bmse000040",4,34.8823,11.17
"L_isoleucine","bmse000041",1,176.9223,1.89
"L_isoleucine","bmse000041",2,62.2493,12.5
"L_isoleucine","bmse000041",3,38.5957,9.56
"L_isoleucine","bmse000041",4,27.1531,12.15
"L_isoleucine","bmse000041",5,17.3893,8.4
"L_isoleucine","bmse000041",6,13.8035,7.76
"L_leucine","bmse000042",1,178.3284,2.9
"L_leucine","bmse000042",2,56.1175,11.06
"L_leucine","bmse000042",3,42.5151,11.41
"L_leucine","bmse000042",4,26.8579,12.5
"L_leucine","bmse000042",5,24.7283,9.43
"L_leucine","bmse000042",6,23.5808,12.45
"L_lysine","bmse000043",1,177.4077,2.58
"L_lysine","bmse000043",2,57.1969,9.77
"L_lysine","bmse000043",3,41.7595,10.04
"L_lysine","bmse000043",4,32.6068,10.59
"L_lysine","bmse000043",5,29.1125,12.5
"L_lysine","bmse000043",6,24.1325,10.95
"malic_acid","bmse000046",1,183.7669,2.25
"malic_acid","bmse000046",2,182.5706,2
"malic_acid","bmse000046",3,73.0495,9.52
"malic_acid","bmse000046",4,45.3174,12.5
"L_methionine","bmse000044",1,177.0256,1.63
"L_methionine","bmse000044",2,56.5949,11.7
"L_methionine","bmse000044",3,32.3948,11.02
"L_methionine","bmse000044",4,31.5117,12.5
"L_methionine","bmse000044",5,16.6207,5.66
"L_phenylalanine","bmse000045",1,137.8245,2.32
"L_phenylalanine","bmse000045",2,132.08,12.5
"L_phenylalanine","bmse000045",3,131.8234,9.6
"L_phenylalanine","bmse000045",4,130.4017,5.37
"L_phenylalanine","bmse000045",5,58.7477,5.25
"L_phenylalanine","bmse000045",6,39.0993,5.55
"L_proline","bmse000047",1,177.4144,1.3
"L_proline","bmse000047",2,63.9229,11.05
"L_proline","bmse000047",3,48.7631,9.32
"L_proline","bmse000047",4,31.6863,12.5
"L_proline","bmse000047",5,26.4548,9.6
"L_serine","bmse000048",1,62.8928,12.5
"L_serine","bmse000048",2,59.0815,8.62
"L_threonine","bmse000049",1,175.6411,1.16
"L_threonine","bmse000049",2,68.6408,12.03
"L_threonine","bmse000049",3,63.1368,12.5
"L_threonine","bmse000049",4,22.1352,12.2
"L_tryptophan","bmse000050",1,177.255,2.71
"L_tryptophan","bmse000050",2,139.0401,1.59
"L_tryptophan","bmse000050",3,129.3512,1.89
"L_tryptophan","bmse000050",4,127.7463,10.84
"L_tryptophan","bmse000050",5,124.8346,12.27
"L_tryptophan","bmse000050",6,122.1638,12.5
"L_tryptophan","bmse000050",7,121.1566,12.38
"L_tryptophan","bmse000050",8,114.6587,10.23
"L_tryptophan","bmse000050",9,110.1782,4.04
"L_tryptophan","bmse000050",10,57.7537,11.28
"L_tryptophan","bmse000050",11,29.1016,11.57
"L_tyrosine","bmse000051",1,184.1279,1.35
"L_tyrosine","bmse000051",2,163.7886,1.13
"L_tyrosine","bmse000051",3,133.3998,10.61
"L_tyrosine","bmse000051",4,128.0459,2.21
"L_tyrosine","bmse000051",5,120.2955,12.5
"L_tyrosine","bmse000051",6,60.0412,5.12
"L_tyrosine","bmse000051",7,41.8233,4.45
"L_valine","bmse000052",1,63.0706,10.1
"L_valine","bmse000052",2,31.7958,11.73
"L_valine","bmse000052",3,20.6547,12.29
"L_valine","bmse000052",4,19.3267,12.5
"D_mannitol","bmse000099",1,73.4901,12.5
"D_mannitol","bmse000099",2,71.9258,8.62
"D_mannitol","bmse000099",3,65.9197,11.81
"meso_erythritol","bmse000100",1,74.6159,12.5
"meso_erythritol","bmse000100",2,65.309,8.37
"methyl_oxobutanoic_acid","bmse000101",1,39.7045,5.48
"methyl_oxobutanoic_acid","bmse000101",2,19.0607,12.5
"muco_inositol","bmse000102",1,75.0137,6.8
"muco_inositol","bmse000102",2,72.8728,12.5
"myo_inositol","bmse000103",1,77.0519,5.9
"myo_inositol","bmse000103",2,75.1054,12.5
"myo_inositol","bmse000103",3,74.8867,4.4
"myo_inositol","bmse000103",4,73.8316,10.8
"NAD","bmse000053",1,167.8653,3.69
"NAD","bmse000053",2,158.0181,4.21
"NAD","bmse000053",3,155.468,8.5
"NAD","bmse000053",4,151.5966,5.8
"NAD","bmse000053",5,148.4441,6.77
"NAD","bmse000053",6,145.0618,5.64
"NAD","bmse000053",7,142.6338,5.11
"NAD","bmse000053",8,142.3914,7.13
"NAD","bmse000053",9,136.3277,6.28
"NAD","bmse000053",10,131.3233,7.72
"NAD","bmse000053",11,121.0165,3.15
"NAD","bmse000053",12,102.7367,9.04
"NAD","bmse000053",13,89.7361,5.45
"NAD","bmse000053",14,89.6488,5.15
"NAD","bmse000053",15,89.3547,10.54
"NAD","bmse000053",16,86.5859,5.25
"NAD","bmse000053",17,86.4979,5.24
"NAD","bmse000053",18,80.3065,12.5
"NAD","bmse000053",19,76.6526,12.24
"NAD","bmse000053",20,73.2929,11.75
"NAD","bmse000053",21,73.0829,11.48
"NAD","bmse000053",22,68.1579,4.36
"NAD","bmse000053",23,68.1059,4.27
"NAD","bmse000053",24,67.6491,4.7
"NAD","bmse000053",25,67.5973,4.24
"NADH","bmse000054",1,175.3474,5.48
"NADH","bmse000054",2,158.1968,4.24
"NADH","bmse000054",3,155.4171,8.83
"NADH","bmse000054",4,151.5844,5.71
"NADH","bmse000054",5,142.3515,6.8
"NADH","bmse000054",6,141.1257,9.71
"NADH","bmse000054",7,126.4094,7.79
"NADH","bmse000054",8,121.2963,4.16
"NADH","bmse000054",9,108.0387,9.52
"NADH","bmse000054",10,102.5371,7.01
"NADH","bmse000054",11,97.7448,9.22
"NADH","bmse000054",12,89.7936,11.06
"NADH","bmse000054",13,86.3582,5.51
"NADH","bmse000054",14,85.0981,5.6
"NADH","bmse000054",15,77.2518,12.23
"NADH","bmse000054",16,73.4643,12.14
"NADH","bmse000054",17,73.2824,12.5
"NADH","bmse000054",18,72.9239,9.04
"NADH","bmse000054",19,68.6321,4.65
"NADH","bmse000054",20,67.8556,4.52
"NADH","bmse000054",21,24.5551,8.23
"NADH","bmse000054",22,19.5029,3.45
"NADPH","bmse000055",1,175.4549,3.91
"NADPH","bmse000055",2,158.2562,4.4
"NADPH","bmse000055",3,155.3726,8.4
"NADPH","bmse000055",4,151.6612,4.78
"NADPH","bmse000055",5,142.7666,6.52
"NADPH","bmse000055",6,141.0746,8.37
"NADPH","bmse000055",7,126.4637,8.6
"NADPH","bmse000055",8,108.0154,8.41
"NADPH","bmse000055",9,102.5834,6.37
"NADPH","bmse000055",10,97.6847,9.4
"NADPH","bmse000055",11,89.5671,4.71
"NADPH","bmse000055",12,89.4832,4.7
"NADPH","bmse000055",13,85.6232,4.52
"NADPH","bmse000055",14,85.136,4.45
"NADPH","bmse000055",15,79.2632,4.94
"NADPH","bmse000055",16,73.4756,12.5
"NADPH","bmse000055",17,73.324,11.5
"NADPH","bmse000055",18,72.7309,8.21
"NADPH","bmse000055",19,68.5416,4.39
"NADPH","bmse000055",20,67.9571,5.25
"NADPH","bmse000055",21,24.6213,6.74
"niacin","bmse000104",1,176.0593,0.88
"niacin","bmse000104",2,153.1473,12.5
"niacin","bmse000104",3,151.7346,9.43
"niacin","bmse000104",4,140.3918,11.16
"niacin","bmse000104",5,135.0395,2.37
"niacin","bmse000104",6,126.6461,10.94
"nicotine","bmse000105",1,152.9553,11.86
"nicotine","bmse000105",2,151.8079,8.39
"nicotine","bmse000105",3,139.9786,11.24
"nicotine","bmse000105",4,132.2848,2.82
"nicotine","bmse000105",5,127.6138,11.08
"nicotine","bmse000105",6,72.3903,8.23
"nicotine","bmse000105",7,58.7754,9.8
"nicotine","bmse000105",8,40.9138,11.41
"nicotine","bmse000105",9,33.0757,8.96
"nicotine","bmse000105",10,24.2203,12.5
"N_acetylneuraminic_acid","bmse000057",1,179.4931,2.99
"N_acetylneuraminic_acid","bmse000057",2,177.4691,5.36
"N_acetylneuraminic_acid","bmse000057",3,99.1066,6.81
"N_acetylneuraminic_acid","bmse000057",4,73.0136,10.35
"N_acetylneuraminic_acid","bmse000057",5,72.9084,11.02
"N_acetylneuraminic_acid","bmse000057",6,71.2583,9.48
"N_acetylneuraminic_acid","bmse000057",7,70.0063,10.08
"N_acetylneuraminic_acid","bmse000057",8,66.0063,10.13
"N_acetylneuraminic_acid","bmse000057",9,54.9693,12.5
"N_acetylneuraminic_acid","bmse000057",10,42.0905,8.84
"N_acetylneuraminic_acid","bmse000057",11,24.8195,11.34
"N_acetyl_D_mannosamine","bmse000056",1,178.4248,1.93
"N_acetyl_D_mannosamine","bmse000056",2,177.4968,2.6
"N_acetyl_D_mannosamine","bmse000056",3,95.8209,8.31
"N_acetyl_D_mannosamine","bmse000056",4,95.688,9.13
"N_acetyl_D_mannosamine","bmse000056",5,79.0399,10.23
"N_acetyl_D_mannosamine","bmse000056",6,74.7525,9.08
"N_acetyl_D_mannosamine","bmse000056",7,74.6939,8.91
"N_acetyl_D_mannosamine","bmse000056",8,71.5593,11.26
"N_acetyl_D_mannosamine","bmse000056",9,69.4618,11.11
"N_acetyl_D_mannosamine","bmse000056",10,69.1894,8.23
"N_acetyl_D_mannosamine","bmse000056",11,63.0714,12.5
"N_acetyl_D_mannosamine","bmse000056",12,56.7834,6.76
"N_acetyl_D_mannosamine","bmse000056",13,55.9143,11.74
"N_acetyl_D_mannosamine","bmse000056",14,24.7467,6.42
"N_acetyl_D_mannosamine","bmse000056",15,24.6103,7.83
"oxalate","bmse000106",1,176.1386,12.5
"O_succinyl_L_homoserine","bmse000058",1,183.8863,2.56
"O_succinyl_L_homoserine","bmse000058",2,178.3647,2.14
"O_succinyl_L_homoserine","bmse000058",3,176.7702,2.64
"O_succinyl_L_homoserine","bmse000058",4,64.4599,9.53
"O_succinyl_L_homoserine","bmse000058",5,55.5165,8.79
"O_succinyl_L_homoserine","bmse000058",6,35.6935,1.47
"O_succinyl_L_homoserine","bmse000058",7,34.6435,11.39
"O_succinyl_L_homoserine","bmse000058",8,33.1998,12.5
"O_succinyl_L_homoserine","bmse000058",9,32.0477,7.9
"phosphoenolpyruvic_acid","bmse000107",1,152.4983,4.37
"phosphoenolpyruvic_acid","bmse000107",2,152.4267,2.42
"phosphoenolpyruvic_acid","bmse000107",3,102.8677,10.91
"phosphoenolpyruvic_acid","bmse000107",4,102.8401,12.5
"prephenic_acid","bmse000108",1,134.012,12.19
"prephenic_acid","bmse000108",2,130.3553,12.5
"prephenic_acid","bmse000108",3,64.0727,7.77
"prephenic_acid","bmse000108",4,51.2462,2.5
"prephenic_acid","bmse000108",5,50.6545,5.86
"putrescine","bmse000109",1,41.551,11.73
"putrescine","bmse000109",2,26.5984,12.5
"pyridoxal","bmse000110",1,161.5671,1.78
"pyridoxal","bmse000110",2,148.0785,2.3
"pyridoxal","bmse000110",3,140.9568,3.28
"pyridoxal","bmse000110",4,139.5279,4.52
"pyridoxal","bmse000110",5,120.0727,6.07
"pyridoxal","bmse000110",6,102.0212,10.48
"pyridoxal","bmse000110",7,72.5072,12.5
"pyridoxal","bmse000110",8,17.5108,7.09
"pyridoxal_5_phosphate","bmse000111",1,198.7901,4.06
"pyridoxal_5_phosphate","bmse000111",2,154.2739,7.56
"pyridoxal_5_phosphate","bmse000111",3,139.0553,2.73
"pyridoxal_5_phosphate","bmse000111",4,138.9802,2.7
"pyridoxal_5_phosphate","bmse000111",5,128.8539,3.48
"pyridoxal_5_phosphate","bmse000111",6,126.7748,3.24
"pyridoxal_5_phosphate","bmse000111",7,91.4524,2.95
"pyridoxal_5_phosphate","bmse000111",8,64.4322,9.86
"pyridoxal_5_phosphate","bmse000111",9,64.3954,7.79
"pyridoxal_5_phosphate","bmse000111",10,18.7125,12.5
"pyridoxal_5_phosphate","bmse000111",11,17.3618,2.26
"pyridoxamine","bmse000130",1,165.5851,1.63
"pyridoxamine","bmse000130",2,148.1236,2.38
"pyridoxamine","bmse000130",3,138.2661,5.06
"pyridoxamine","bmse000130",4,134.7636,2.63
"pyridoxamine","bmse000130",5,126.6506,8.52
"pyridoxamine","bmse000130",6,61.8257,9.73
"pyridoxamine","bmse000130",7,39.2287,12.5
"pyridoxamine","bmse000130",8,18.1093,10.27
"pyridoxamine_5_phosphate","bmse000131",1,165.6996,3.42
"pyridoxamine_5_phosphate","bmse000131",2,147.3396,4.49
"pyridoxamine_5_phosphate","bmse000131",3,137.5932,4.37
"pyridoxamine_5_phosphate","bmse000131",4,137.5201,3.66
"pyridoxamine_5_phosphate","bmse000131",5,135.8735,6.9
"pyridoxamine_5_phosphate","bmse000131",6,125.9833,8.38
"pyridoxamine_5_phosphate","bmse000131",7,64.3374,8.14
"pyridoxamine_5_phosphate","bmse000131",8,64.2962,7.45
"pyridoxamine_5_phosphate","bmse000131",9,38.955,12.5
"pyridoxamine_5_phosphate","bmse000131",10,17.7372,11.91
"scyllo_inositol","bmse000113",1,76.2821,12.5
"shikimic_acid","bmse000114",1,178.0757,1.84
"shikimic_acid","bmse000114",2,138.7121,3.69
"shikimic_acid","bmse000114",3,133.2065,8.63
"shikimic_acid","bmse000114",4,74.7462,8.91
"shikimic_acid","bmse000114",5,69.5201,11.73
"shikimic_acid","bmse000114",6,68.9871,12.5
"shikimic_acid","bmse000114",7,35.3685,8.86
"D_sorbitol","bmse000115",1,75.6364,11.8
"D_sorbitol","bmse000115",2,73.7844,11.91
"D_sorbitol","bmse000115",3,73.6628,11.46
"D_sorbitol","bmse000115",4,72.3478,12.5
"D_sorbitol","bmse000115",5,65.5074,7.86
"D_sorbitol","bmse000115",6,65.1126,9.65
"spermidine","bmse000116",1,49.7685,12.5
"spermidine","bmse000116",2,47.255,9.6
"spermidine","bmse000116",3,41.5152,10.94
"spermidine","bmse000116",4,39.2998,10.61
"spermidine","bmse000116",5,26.64,10.09
"spermidine","bmse000116",6,26.5227,9.51
"spermidine","bmse000116",7,25.4882,11.59
"spermine","bmse000117",1,50.4642,10.16
"spermine","bmse000117",2,48.3361,12.5
"spermine","bmse000117",3,40.6981,12.1
"spermine","bmse000117",4,30.823,7.1
"spermine","bmse000117",5,27.6835,10.97
"succinic_acid","bmse000118",1,185.1648,1.78
"succinic_acid","bmse000118",2,36.8897,12.5
"sucrose","bmse000119",1,106.3887,6.15
"sucrose","bmse000119",2,94.8829,11.39
"sucrose","bmse000119",3,84.0666,11.94
"sucrose","bmse000119",4,79.0967,11.54
"sucrose","bmse000119",5,76.6892,12.13
"sucrose","bmse000119",6,75.2562,11.56
"sucrose","bmse000119",7,75.107,12.4
"sucrose","bmse000119",8,73.7694,11.94
"sucrose","bmse000119",9,71.9114,12.5
"sucrose","bmse000119",10,65.0741,11.11
"sucrose","bmse000119",11,64.0305,10.38
"sucrose","bmse000119",12,62.8059,9.96
"S_adenosyl_L_methionine","bmse000059",1,177.2049,1.06
"S_adenosyl_L_methionine","bmse000059",2,175.5374,3.57
"S_adenosyl_L_methionine","bmse000059",3,158.2573,4.07
"S_adenosyl_L_methionine","bmse000059",4,158.1473,1.23
"S_adenosyl_L_methionine","bmse000059",5,155.5574,8.68
"S_adenosyl_L_methionine","bmse000059",6,155.4871,3.71
"S_adenosyl_L_methionine","bmse000059",7,154.9459,1.28
"S_adenosyl_L_methionine","bmse000059",8,151.4918,1.4
"S_adenosyl_L_methionine","bmse000059",9,151.3094,4.84
"S_adenosyl_L_methionine","bmse000059",10,143.3489,7.53
"S_adenosyl_L_methionine","bmse000059",11,142.6447,2.96
"S_adenosyl_L_methionine","bmse000059",12,121.7408,3.05
"S_adenosyl_L_methionine","bmse000059",13,91.8,12.5
"S_adenosyl_L_methionine","bmse000059",14,90.1262,1.08
"S_adenosyl_L_methionine","bmse000059",15,90.0407,3.67
"S_adenosyl_L_methionine","bmse000059",16,85.9474,3.7
"S_adenosyl_L_methionine","bmse000059",17,81.4782,2.83
"S_adenosyl_L_methionine","bmse000059",18,80.8642,9.06
"S_adenosyl_L_methionine","bmse000059",19,76.1774,4.19
"S_adenosyl_L_methionine","bmse000059",20,75.6933,3.46
"S_adenosyl_L_methionine","bmse000059",21,75.4417,10.55
"S_adenosyl_L_methionine","bmse000059",22,75.2896,11.21
"S_adenosyl_L_methionine","bmse000059",23,75.2102,3.9
"S_adenosyl_L_methionine","bmse000059",24,75.0576,4.66
"S_adenosyl_L_methionine","bmse000059",25,61.3914,4.52
"S_adenosyl_L_methionine","bmse000059",26,60.181,3.6
"S_adenosyl_L_methionine","bmse000059",27,56.1328,4.11
"S_adenosyl_L_methionine","bmse000059",28,55.5398,11.64
"S_adenosyl_L_methionine","bmse000059",29,55.4732,3.85
"S_adenosyl_L_methionine","bmse000059",30,51.6245,1.02
"S_adenosyl_L_methionine","bmse000059",31,47.0027,7.3
"S_adenosyl_L_methionine","bmse000059",32,41.6503,2.53
"S_adenosyl_L_methionine","bmse000059",33,41.5608,8
"S_adenosyl_L_methionine","bmse000059",34,39.296,1.04
"S_adenosyl_L_methionine","bmse000059",35,38.5747,3.27
"S_adenosyl_L_methionine","bmse000059",36,34.9032,4.07
"S_adenosyl_L_methionine","bmse000059",37,28.138,8.12
"S_adenosyl_L_methionine","bmse000059",38,27.9802,2.58
"S_adenosyl_L_methionine","bmse000059",39,26.5384,1.05
"S_adenosyl_L_methionine","bmse000059",40,26.4688,3.89
"S_adenosyl_L_methionine","bmse000059",41,26.1398,11.37
"S_adenosyl_L_methionine","bmse000059",42,19.5416,3.82
"S_adenosyl_L_methionine","bmse000059",43,18.0425,2.93
"taurine","bmse000120",1,50.2124,12.5
"taurine","bmse000120",2,38.0682,11.7
"L_threitol","bmse000121",1,74.3047,12.5
"L_threitol","bmse000121",2,65.3263,12.42
"trans_4_hydroxy_L_proline","bmse000123",1,177.0263,1.29
"trans_4_hydroxy_L_proline","bmse000123",2,72.7686,12.34
"trans_4_hydroxy_L_proline","bmse000123",3,62.5265,8.41
"trans_4_hydroxy_L_proline","bmse000123",4,55.643,12.5
"trans_4_hydroxy_L_proline","bmse000123",5,40.1298,9.82
"trans_cinnamic_acid","bmse000124",1,143.5556,4.31
"trans_cinnamic_acid","bmse000124",2,137.8775,1.34
"trans_cinnamic_acid","bmse000124",3,132.3324,6.15
"trans_cinnamic_acid","bmse000124",4,131.6902,9.94
"trans_cinnamic_acid","bmse000124",5,130.4135,12.5
"trans_cinnamic_acid","bmse000124",6,126.8267,3.92
"D_trehalose","bmse000125",1,95.9171,12.5
"D_trehalose","bmse000125",2,75.2081,11.88
"D_trehalose","bmse000125",3,74.8491,10.1
"D_trehalose","bmse000125",4,73.7422,9.97
"D_trehalose","bmse000125",5,72.3894,11.58
"D_trehalose","bmse000125",6,63.2132,8.55
"uric_acid","bmse000126",1,167.6653,6.04
"uric_acid","bmse000126",2,165.3393,12.5
"uric_acid","bmse000126",3,162.2146,6.72
"uric_acid","bmse000126",4,156.4958,8.87
"uric_acid","bmse000126",5,104.5779,6.55
"xanthine","bmse000127",1,163.3303,1.9
"xanthine","bmse000127",2,161.9958,1.23
"xanthine","bmse000127",3,158.0123,1.54
"xanthine","bmse000127",4,142.7225,12.5
"xanthine","bmse000127",5,116.2503,1.15
"xanthosine","bmse000128",1,163.7475,1.41
"xanthosine","bmse000128",2,162.2764,1.3
"xanthosine","bmse000128",3,155.8547,2.56
"xanthosine","bmse000128",4,140.0607,9.27
"xanthosine","bmse000128",5,118.2068,1.28
"xanthosine","bmse000128",6,90.6608,11.73
"xanthosine","bmse000128",7,88.5324,12.41
"xanthosine","bmse000128",8,75.9737,12.5
"xanthosine","bmse000128",9,73.5577,11.03
"xanthosine","bmse000128",10,64.3556,8.81
"xylitol","bmse000129",1,74.6275,11.33
"xylitol","bmse000129",2,73.4743,6.7
"xylitol","bmse000129",3,65.3143,12.5
"tyramine","bmse000243",1,157.2984,1.41
"tyramine","bmse000243",2,132.9956,12.5
"tyramine","bmse000243",3,131.1649,2.03
"tyramine","bmse000243",4,118.5125,12.18
"tyramine","bmse000243",5,43.4518,5.34
"tyramine","bmse000243",6,34.6329,6.06
"L_carnosine","bmse000246",1,180.2008,3.84
"L_carnosine","bmse000246",2,174.3323,4.86
"L_carnosine","bmse000246",3,137.5197,9.53
"L_carnosine","bmse000246",4,134.6631,4.69
"L_carnosine","bmse000246",5,119.8491,10.48
"L_carnosine","bmse000246",6,57.5784,11.65
"L_carnosine","bmse000246",7,38.3703,11.44
"L_carnosine","bmse000246",8,34.7671,12.5
"L_carnosine","bmse000246",9,30.9947,9.98
"glycolate","bmse000245",1,182.6562,5.25
"glycolate","bmse000245",2,63.9098,12.5
"1_3_dimethylurea","bmse000248",1,29.1399,12.5
"D_glucosamine","bmse000247",1,96.7337,8.51
"D_glucosamine","bmse000247",2,92.4167,12.41
"D_glucosamine","bmse000247",3,78.843,9.89
"D_glucosamine","bmse000247",4,75.8685,8.3
"D_glucosamine","bmse000247",5,74.3489,12.5
"D_glucosamine","bmse000247",6,72.9419,11.22
"D_glucosamine","bmse000247",7,72.4037,9.8
"D_glucosamine","bmse000247",8,72.3301,12.04
"D_glucosamine","bmse000247",9,63.2894,7.62
"D_glucosamine","bmse000247",10,63.0782,11.08
"D_glucosamine","bmse000247",11,59.6847,8.44
"D_glucosamine","bmse000247",12,57.1428,11.73
"isethionic_acid","bmse000242",1,59.6397,12.02
"isethionic_acid","bmse000242",2,55.5295,12.5
"N_N_dimethylglycine","bmse000241",1,62.5717,6.55
"N_N_dimethylglycine","bmse000241",2,46.2286,12.5
"dihydroxyacetone","bmse000144",1,214.7833,3.78
"dihydroxyacetone","bmse000144",2,97.773,1.6
"dihydroxyacetone","bmse000144",3,66.2429,12.5
"N_acetyl_L_glutamine","bmse000145",1,181.3622,2.37
"N_acetyl_L_glutamine","bmse000145",2,181.1277,3.44
"N_acetyl_L_glutamine","bmse000145",3,176.3862,3.32
"N_acetyl_L_glutamine","bmse000145",4,57.3658,12.5
"N_acetyl_L_glutamine","bmse000145",5,34.4405,9.75
"N_acetyl_L_glutamine","bmse000145",6,30.4549,10.18
"N_acetyl_L_glutamine","bmse000145",7,24.6247,9.17
"ADA","bmse000146",1,180.0279,1.66
"ADA","bmse000146",2,60.0622,12.5
"ADA","bmse000146",3,59.955,1.44
"4_aminoantipyrine","bmse000147",1,144.7673,1.72
"4_aminoantipyrine","bmse000147",2,135.763,1.74
"4_aminoantipyrine","bmse000147",3,132.3952,12.5
"4_aminoantipyrine","bmse000147",4,131.8174,5.85
"4_aminoantipyrine","bmse000147",5,129.3212,12.35
"4_aminoantipyrine","bmse000147",6,37.2322,4.81
"4_aminoantipyrine","bmse000147",7,11.7408,4.42
"acetylcarnitine","bmse000142",1,179.354,4.03
"acetylcarnitine","bmse000142",2,175.4615,4.06
"acetylcarnitine","bmse000142",3,70.835,4.53
"acetylcarnitine","bmse000142",4,69.5734,12.5
"acetylcarnitine","bmse000142",5,56.5103,12.2
"acetylcarnitine","bmse000142",6,42.9071,9.73
"acetylcarnitine","bmse000142",7,23.3168,9.11
"5_acetylamido_2_chloroaniline","bmse000143",1,139.2064,3.06
"5_acetylamido_2_chloroaniline","bmse000143",2,132.3826,12.5
"5_acetylamido_2_chloroaniline","bmse000143",3,116.2078,11.5
"5_acetylamido_2_chloroaniline","bmse000143",4,112.9825,11.85
"5_acetylamido_2_chloroaniline","bmse000143",5,25.522,8.76
"uracil","bmse000187",1,170.2202,1.35
"uracil","bmse000187",2,146.2032,10.52
"uracil","bmse000187",3,103.7407,12.5
"cytidine","bmse000190",1,168.8862,2.92
"cytidine","bmse000190",2,160.3399,2.39
"cytidine","bmse000190",3,144.3268,8.93
"cytidine","bmse000190",4,98.9421,9.02
"cytidine","bmse000190",5,92.9764,11.59
"cytidine","bmse000190",6,86.4726,11.93
"cytidine","bmse000190",7,76.6665,12.26
"cytidine","bmse000190",8,71.9801,12.5
"cytidine","bmse000190",9,63.4255,9.89
"propionic_acid","bmse000179",1,187.7472,2.27
"propionic_acid","bmse000179",2,33.4143,12.5
"propionic_acid","bmse000179",3,12.8911,11.53
"cytosine","bmse000180",1,170.1095,1.09
"cytosine","bmse000180",2,145.8461,10.28
"cytosine","bmse000180",3,97.8181,12.5
"3_hydroxybutyrate","bmse000161",1,183.1934,2.18
"3_hydroxybutyrate","bmse000161",2,68.3994,9.53
"3_hydroxybutyrate","bmse000161",3,49.2195,12.5
"3_hydroxybutyrate","bmse000161",4,24.4317,11.28
"sarcosine","bmse000160",1,174.1787,1.69
"sarcosine","bmse000160",2,53.5151,12.5
"sarcosine","bmse000160",3,35.3495,10.56
"beta_alanine","bmse000159",1,181.1398,1.61
"beta_alanine","bmse000159",2,39.2339,9.51
"beta_alanine","bmse000159",3,36.2855,12.5
"uridine","bmse000158",1,169.0394,2.54
"uridine","bmse000158",2,154.4569,2.08
"uridine","bmse000158",3,144.529,8.58
"uridine","bmse000158",4,104.9743,9.81
"uridine","bmse000158",5,92.0363,11.1
"uridine","bmse000158",6,86.9005,11.88
"uridine","bmse000158",7,76.3651,11.81
"uridine","bmse000158",8,72.0985,12.5
"uridine","bmse000158",9,63.4211,9.74
"N_acetyl_L_alanine","bmse000157",1,183.142,2.18
"N_acetyl_L_alanine","bmse000157",2,176.0277,2.41
"N_acetyl_L_alanine","bmse000157",3,53.6895,12.5
"N_acetyl_L_alanine","bmse000157",4,24.5618,8.98
"N_acetyl_L_alanine","bmse000157",5,20.0042,11.11
"trimethyl_phosphonoacetate","bmse000156",1,56.6257,8.02
"trimethyl_phosphonoacetate","bmse000156",2,56.5607,8.02
"trimethyl_phosphonoacetate","bmse000156",3,55.9903,12.5
"creatinine","bmse000155",1,191.713,2.26
"creatinine","bmse000155",2,59.1239,12.5
"creatinine","bmse000155",3,58.8527,2.53
"creatinine","bmse000155",4,58.6295,1.96
"creatinine","bmse000155",5,32.9001,9.73
"4_2_aminoethyl_morpholine","bmse000154",1,68.8872,12.21
"4_2_aminoethyl_morpholine","bmse000154",2,56.9694,6.45
"4_2_aminoethyl_morpholine","bmse000154",3,55.1945,12.5
"4_2_aminoethyl_morpholine","bmse000154",4,38.3707,5.31
"L_methionine_methylsulfonium_iodide","bmse000153",1,176.1278,2.46
"L_methionine_methylsulfonium_iodide","bmse000153",2,55.6328,12.37
"L_methionine_methylsulfonium_iodide","bmse000153",3,42.2714,10.53
"L_methionine_methylsulfonium_iodide","bmse000153",4,28.1127,10.06
"L_methionine_methylsulfonium_iodide","bmse000153",5,27.4753,11.87
"L_methionine_methylsulfonium_iodide","bmse000153",6,27.4428,12.5
"trigonelline","bmse000152",1,170.5429,1.63
"trigonelline","bmse000152",2,148.7294,3.53
"trigonelline","bmse000152",3,148.5432,3.12
"trigonelline","bmse000152",4,147.4509,9.81
"trigonelline","bmse000152",5,139.591,3.58
"trigonelline","bmse000152",6,130.3808,12.5
"trigonelline","bmse000152",7,50.9868,3.8
"L_kynurenine","bmse000172",1,202.7838,4.18
"L_kynurenine","bmse000172",2,176.9655,3.82
"L_kynurenine","bmse000172",3,153.0281,3.8
"L_kynurenine","bmse000172",4,138.3201,10.63
"L_kynurenine","bmse000172",5,134.0077,10.47
"L_kynurenine","bmse000172",6,120.7487,12.5
"L_kynurenine","bmse000172",7,120.1347,3.19
"L_kynurenine","bmse000172",8,119.5469,11.71
"L_kynurenine","bmse000172",9,53.4373,9.6
"L_kynurenine","bmse000172",10,53.3893,1.75
"L_kynurenine","bmse000172",11,41.6724,9.4
"4_hydroxyphenethyl_alcohol","bmse000173",1,156.5231,1.3
"4_hydroxyphenethyl_alcohol","bmse000173",2,133.6531,2.03
"4_hydroxyphenethyl_alcohol","bmse000173",3,133.0108,12.05
"4_hydroxyphenethyl_alcohol","bmse000173",4,118.0973,12.5
"4_hydroxyphenethyl_alcohol","bmse000173",5,65.4628,5.4
"4_hydroxyphenethyl_alcohol","bmse000173",6,39.6054,5.27
"L_glutathione_oxidized","bmse000170",1,179.0431,5.08
"L_glutathione_oxidized","bmse000170",2,177.7295,7.27
"L_glutathione_oxidized","bmse000170",3,176.8436,5.71
"L_glutathione_oxidized","bmse000170",4,174.576,7.14
"L_glutathione_oxidized","bmse000170",5,56.7983,12.5
"L_glutathione_oxidized","bmse000170",6,55.2962,6.93
"L_glutathione_oxidized","bmse000170",7,46.1769,10
"L_glutathione_oxidized","bmse000170",8,41.3939,5.3
"L_glutathione_oxidized","bmse000170",9,34.0976,8.71
"L_glutathione_oxidized","bmse000170",10,28.9834,9.22
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",1,137.9087,2.24
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",2,137.8673,2.37
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",3,131.376,12.5
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",4,131.3613,12.49
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",5,130.699,5.71
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",6,130.6797,5.71
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",7,130.3647,10.88
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",8,130.3201,11.19
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",9,58.3213,5.52
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",10,57.0571,5.41
"2_amino_5_ethyl_1_3_4_thiadiazole","bmse000176",1,168.4472,1.23
"2_amino_5_ethyl_1_3_4_thiadiazole","bmse000176",2,25.8692,12.5
"2_amino_5_ethyl_1_3_4_thiadiazole","bmse000176",3,15.8228,11.49
"indole_3_acetic_acid","bmse000177",1,184.4014,2.14
"indole_3_acetic_acid","bmse000177",2,138.8639,1.78
"indole_3_acetic_acid","bmse000177",3,129.8341,1.84
"indole_3_acetic_acid","bmse000177",4,126.7302,9.37
"indole_3_acetic_acid","bmse000177",5,124.4124,12.5
"indole_3_acetic_acid","bmse000177",6,121.7961,11.6
"indole_3_acetic_acid","bmse000177",7,121.3961,11.96
"indole_3_acetic_acid","bmse000177",8,114.4077,11.75
"indole_3_acetic_acid","bmse000177",9,113.0393,2.26
"indole_3_acetic_acid","bmse000177",10,36.6627,11.8
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",1,177.1121,2.86
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",2,175.8429,2.97
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",3,146.1205,4.91
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",4,142.1751,2.25
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",5,140.3992,5.19
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",6,135.1671,1.17
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",7,128.5755,12.5
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",8,122.2003,7.85
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",9,120.5307,8.5
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",10,26.0734,7.9
"inosine_5_monophosphate","bmse000175",1,161.425,3.75
"inosine_5_monophosphate","bmse000175",2,151.4802,4.81
"inosine_5_monophosphate","bmse000175",3,149.0993,9.26
"inosine_5_monophosphate","bmse000175",4,142.6513,8.28
"inosine_5_monophosphate","bmse000175",5,126.224,3.55
"inosine_5_monophosphate","bmse000175",6,90.0513,11.57
"inosine_5_monophosphate","bmse000175",7,87.5897,6.17
"inosine_5_monophosphate","bmse000175",8,87.5029,6.25
"inosine_5_monophosphate","bmse000175",9,77.4723,12.43
"inosine_5_monophosphate","bmse000175",10,73.3415,12.5
"inosine_5_monophosphate","bmse000175",11,66.1817,4.69
"inosine_5_monophosphate","bmse000175",12,66.1371,4.9
"acetylcholine","bmse000168",1,175.9351,1.7
"acetylcholine","bmse000168",2,67.2352,3.17
"acetylcholine","bmse000168",3,67.2022,3.69
"acetylcholine","bmse000168",4,67.1693,3.21
"acetylcholine","bmse000168",5,61.0489,9.91
"acetylcholine","bmse000168",6,56.5037,10.75
"acetylcholine","bmse000168",7,56.4653,12.5
"acetylcholine","bmse000168",8,56.4269,11.09
"acetylcholine","bmse000168",9,22.907,5.01
"L_selenomethionine","bmse000169",1,177.0007,2.6
"L_selenomethionine","bmse000169",2,57.4374,11.47
"L_selenomethionine","bmse000169",3,33.6291,11.68
"L_selenomethionine","bmse000169",4,21.9577,12.5
"L_selenomethionine","bmse000169",5,5.9908,6.84
"L_carnitine","bmse000211",1,180.7932,2.55
"L_carnitine","bmse000211",2,72.8484,3.55
"L_carnitine","bmse000211",3,72.8194,4.35
"L_carnitine","bmse000211",4,72.7905,3.77
"L_carnitine","bmse000211",5,66.787,9.83
"L_carnitine","bmse000211",6,56.8352,10.16
"L_carnitine","bmse000211",7,56.7971,12.5
"L_carnitine","bmse000211",8,56.7587,10.72
"L_carnitine","bmse000211",9,45.6836,6.68
"2_deoxyguanosine_5_triphosphate","bmse000210",1,161.5994,4.1
"2_deoxyguanosine_5_triphosphate","bmse000210",2,156.5483,6.62
"2_deoxyguanosine_5_triphosphate","bmse000210",3,153.9201,3.76
"2_deoxyguanosine_5_triphosphate","bmse000210",4,140.177,4.97
"2_deoxyguanosine_5_triphosphate","bmse000210",5,118.7094,3.56
"2_deoxyguanosine_5_triphosphate","bmse000210",6,88.3356,4.95
"2_deoxyguanosine_5_triphosphate","bmse000210",7,88.2497,5.03
"2_deoxyguanosine_5_triphosphate","bmse000210",8,86.1217,10.42
"2_deoxyguanosine_5_triphosphate","bmse000210",9,85.9663,1.24
"2_deoxyguanosine_5_triphosphate","bmse000210",10,73.5912,12.5
"2_deoxyguanosine_5_triphosphate","bmse000210",11,73.4257,1.36
"2_deoxyguanosine_5_triphosphate","bmse000210",12,68.0836,4.3
"2_deoxyguanosine_5_triphosphate","bmse000210",13,68.0298,4.01
"2_deoxyguanosine_5_triphosphate","bmse000210",14,60.1564,2.92
"2_deoxyguanosine_5_triphosphate","bmse000210",15,41.4696,9.7
"2_deoxyguanosine_5_triphosphate","bmse000210",16,19.5226,3.19
"L_glutathione_reduced","bmse000185",1,179.0844,3.34
"L_glutathione_reduced","bmse000185",2,177.7381,6.24
"L_glutathione_reduced","bmse000185",3,176.8762,4.09
"L_glutathione_reduced","bmse000185",4,174.517,4.49
"L_glutathione_reduced","bmse000185",5,58.485,9.28
"L_glutathione_reduced","bmse000185",6,56.8252,12.5
"L_glutathione_reduced","bmse000185",7,46.0594,11.98
"L_glutathione_reduced","bmse000185",8,34.0617,10.25
"L_glutathione_reduced","bmse000185",9,28.9279,10.05
"L_glutathione_reduced","bmse000185",10,28.2991,8.79
"L-ascorbate","bmse000182",1,180.3168,1.43
"L-ascorbate","bmse000182",2,178.4832,2.74
"L-ascorbate","bmse000182",3,115.802,1.21
"L-ascorbate","bmse000182",4,81.1004,12.5
"L-ascorbate","bmse000182",5,72.2534,11.82
"L-ascorbate","bmse000182",6,65.2522,10.99
"glycerol","bmse000184",1,74.7687,5.34
"glycerol","bmse000184",2,65.1855,12.5
"succinic_acid","bmse000183",1,185.1723,12.5
"diethyl_oxalacetate","bmse000148",1,175.4103,2.81
"diethyl_oxalacetate","bmse000148",2,174.3091,2.64
"diethyl_oxalacetate","bmse000148",3,173.4326,3.11
"diethyl_oxalacetate","bmse000148",4,168.1048,3.57
"diethyl_oxalacetate","bmse000148",5,163.0751,2.84
"diethyl_oxalacetate","bmse000148",6,107.9727,2.93
"diethyl_oxalacetate","bmse000148",7,66.4032,12.5
"diethyl_oxalacetate","bmse000148",8,64.8073,11.65
"diethyl_oxalacetate","bmse000148",9,63.2252,12.35
"diethyl_oxalacetate","bmse000148",10,60.1425,6.53
"diethyl_oxalacetate","bmse000148",11,19.5054,7.69
"diethyl_oxalacetate","bmse000148",12,16.4349,10.31
"diethyl_oxalacetate","bmse000148",13,16.0264,10.85
"diethyl_oxalacetate","bmse000148",14,15.8307,11.05
"diethyl_oxalacetate","bmse000148",15,8.3719,1.46
"methyl_4_aminobutyrate","bmse000249",1,178.332,2.3
"methyl_4_aminobutyrate","bmse000249",2,55.0318,9.91
"methyl_4_aminobutyrate","bmse000249",3,41.3931,9.31
"methyl_4_aminobutyrate","bmse000249",4,33.2371,12.5
"methyl_4_aminobutyrate","bmse000249",5,24.7364,10.01
"acetic_acid","bmse000191",1,25.9921,12.5
"DL_alpha_glycerol_phosphate","bmse000193",1,74.017,6.6
"DL_alpha_glycerol_phosphate","bmse000193",2,73.9509,6.61
"DL_alpha_glycerol_phosphate","bmse000193",3,67.5764,6.42
"DL_alpha_glycerol_phosphate","bmse000193",4,67.5279,6.33
"DL_alpha_glycerol_phosphate","bmse000193",5,64.9909,12.5
"L_arginine_L_glutamate","bmse000194",1,184.0271,2.62
"L_arginine_L_glutamate","bmse000194",2,177.3004,2.69
"L_arginine_L_glutamate","bmse000194",3,177.2486,3.51
"L_arginine_L_glutamate","bmse000194",4,159.5217,1.58
"L_arginine_L_glutamate","bmse000194",5,57.3276,11.34
"L_arginine_L_glutamate","bmse000194",6,56.9877,12.33
"L_arginine_L_glutamate","bmse000194",7,43.187,10.69
"L_arginine_L_glutamate","bmse000194",8,36.1773,12.5
"L_arginine_L_glutamate","bmse000194",9,30.2821,11.31
"L_arginine_L_glutamate","bmse000194",10,29.6813,11.66
"L_arginine_L_glutamate","bmse000194",11,26.565,9.36
"N_alpha_acetyl_DL_ornithine","bmse000195",1,181.278,2.84
"N_alpha_acetyl_DL_ornithine","bmse000195",2,176.3942,3.3
"N_alpha_acetyl_DL_ornithine","bmse000195",3,57.2647,12.5
"N_alpha_acetyl_DL_ornithine","bmse000195",4,41.7026,11.36
"N_alpha_acetyl_DL_ornithine","bmse000195",5,31.2562,11.58
"N_alpha_acetyl_DL_ornithine","bmse000195",6,26.1175,10.85
"N_alpha_acetyl_DL_ornithine","bmse000195",7,24.6039,9.43
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",1,177.1802,4.22
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",2,100.7816,12.14
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",3,74.3693,12.5
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",4,73.8173,11.87
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",5,72.6604,11.86
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",6,63.2442,9.78
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",7,57.84,10.7
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",8,56.3295,11.36
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",9,24.5939,9.03
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",1,177.4262,6.89
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",2,95.5064,6.59
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",3,95.4519,6.61
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",4,74.8112,12.48
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",5,74.1248,11.53
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",6,72.717,12.5
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",7,63.3991,10.48
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",8,60.1385,1.19
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",9,56.8941,6.31
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",10,56.82,5.92
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",11,24.8547,11.82
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",12,19.5064,1.35
"6_phosphogluconic_acid","bmse000198",1,181.6058,3.57
"6_phosphogluconic_acid","bmse000198",2,76.871,10.24
"6_phosphogluconic_acid","bmse000198",3,74.5728,12.34
"6_phosphogluconic_acid","bmse000198",4,73.5923,12.5
"6_phosphogluconic_acid","bmse000198",5,73.3427,6.13
"6_phosphogluconic_acid","bmse000198",6,73.2817,6
"6_phosphogluconic_acid","bmse000198",7,67.8378,5.3
"6_phosphogluconic_acid","bmse000198",8,67.7897,5.02
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",1,177.4856,7.09
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",2,169.018,6.26
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",3,154.5678,4.71
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",4,144.3458,8.41
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",5,105.3664,9.76
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",6,97.2217,5.52
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",7,97.1586,5.3
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",8,91.2324,10.4
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",9,85.9265,5.45
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",10,85.8356,5.37
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",11,76.5038,12.5
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",12,75.7265,10.47
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",13,73.618,9.4
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",14,72.3363,12.03
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",15,72.1894,10.68
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",16,67.7104,4.06
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",17,67.6547,4.21
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",18,63.011,8.29
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",19,56.4123,4.85
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",20,56.3279,4.86
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",21,24.8017,11.06
"D_glucosamine_6_phosphate","bmse000189",1,96.7641,3.96
"D_glucosamine_6_phosphate","bmse000189",2,92.5468,9.11
"D_glucosamine_6_phosphate","bmse000189",3,78.573,7.72
"D_glucosamine_6_phosphate","bmse000189",4,78.5029,8.09
"D_glucosamine_6_phosphate","bmse000189",5,75.3,3.82
"D_glucosamine_6_phosphate","bmse000189",6,74.241,8.9
"D_glucosamine_6_phosphate","bmse000189",7,74.1735,8.79
"D_glucosamine_6_phosphate","bmse000189",8,72.61,7.6
"D_glucosamine_6_phosphate","bmse000189",9,72.216,8.01
"D_glucosamine_6_phosphate","bmse000189",10,72.0861,11.81
"D_glucosamine_6_phosphate","bmse000189",11,65.6945,5.67
"D_glucosamine_6_phosphate","bmse000189",12,65.5318,8.2
"D_glucosamine_6_phosphate","bmse000189",13,59.9922,8.37
"D_glucosamine_6_phosphate","bmse000189",14,57.442,12.5
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",1,177.6459,3.99
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",2,177.3558,6.21
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",3,97.9785,9.64
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",4,93.8355,12.5
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",5,78.3788,4.55
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",6,78.3082,5
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",7,76.3335,8.77
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",8,74.1312,5.77
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",9,74.0636,5.71
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",10,73.273,9.62
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",11,72.5985,6.43
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",12,72.4066,4.3
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",13,65.8183,6.34
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",14,59.7314,6.92
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",15,57.09,11.32
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",16,25.09,7.17
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",17,24.8284,8.82
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",18,24.6366,2.13
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",19,8.3826,2.3
"formate","bmse000203",1,173.8915,12.5
"HEPES","bmse000202",1,60.8048,5.44
"HEPES","bmse000202",2,58.5772,7.51
"HEPES","bmse000202",3,54.5149,8.11
"HEPES","bmse000202",4,54.0844,12.5
"HEPES","bmse000202",5,52.383,11.07
"HEPES","bmse000202",6,50.0053,7.83
"D_citrulline","bmse000209",1,177.3935,5.6
"D_citrulline","bmse000209",2,164.2858,1.35
"D_citrulline","bmse000209",3,57.1942,10.87
"D_citrulline","bmse000209",4,41.9172,1.9
"D_citrulline","bmse000209",5,30.442,12.5
"D_citrulline","bmse000209",6,27.6603,6.22
"tryptamine","bmse000207",1,139.1467,1.96
"tryptamine","bmse000207",2,129.1548,2.05
"tryptamine","bmse000207",3,127.0515,9.42
"tryptamine","bmse000207",4,124.8771,12.23
"tryptamine","bmse000207",5,122.1292,11.7
"tryptamine","bmse000207",6,121.0332,11.62
"tryptamine","bmse000207",7,114.7782,11.66
"tryptamine","bmse000207",8,111.7871,2.5
"tryptamine","bmse000207",9,42.4461,10.28
"tryptamine","bmse000207",10,25.3872,12.5
"caffeine","bmse000206",1,158.3677,2.3
"caffeine","bmse000206",2,154.8444,2.1
"caffeine","bmse000206",3,150.6943,2.53
"caffeine","bmse000206",4,146.1726,12.5
"caffeine","bmse000206",5,109.992,1.93
"caffeine","bmse000206",6,36.1671,12
"caffeine","bmse000206",7,32.5176,11.72
"caffeine","bmse000206",8,30.6092,12.15
"DL_serine","bmse000222",1,175.1858,1.49
"DL_serine","bmse000222",2,62.8818,12.5
"DL_serine","bmse000222",3,59.0696,9.18
"kanamycin","bmse000201",1,103.0882,11.25
"kanamycin","bmse000201",2,99.3708,11.19
"kanamycin","bmse000201",3,87.4547,11.03
"kanamycin","bmse000201",4,82.3518,10.12
"kanamycin","bmse000201",5,76.1335,11.05
"kanamycin","bmse000201",6,75.2746,11.27
"kanamycin","bmse000201",7,74.8051,11.96
"kanamycin","bmse000201",8,73.8216,11.92
"kanamycin","bmse000201",9,73.7132,12.5
"kanamycin","bmse000201",10,71.3274,11.8
"kanamycin","bmse000201",11,71.2135,10.89
"kanamycin","bmse000201",12,68.4669,11.25
"kanamycin","bmse000201",13,62.5738,8.79
"kanamycin","bmse000201",14,57.6876,10.31
"kanamycin","bmse000201",15,52.8142,10.87
"kanamycin","bmse000201",16,50.8624,10.67
"kanamycin","bmse000201",17,43.1772,9.79
"kanamycin","bmse000201",18,32.4006,6.43
"D_galacturonic_acid","bmse000216",1,178.7328,1.92
"D_galacturonic_acid","bmse000216",2,177.8683,2.95
"D_galacturonic_acid","bmse000216",3,103.6266,1.14
"D_galacturonic_acid","bmse000216",4,98.6973,11.64
"D_galacturonic_acid","bmse000216",5,94.8821,8.1
"D_galacturonic_acid","bmse000216",6,86.1096,1.16
"D_galacturonic_acid","bmse000216",7,83.8927,1.25
"D_galacturonic_acid","bmse000216",8,78.2191,12.5
"D_galacturonic_acid","bmse000216",9,75.5921,12.15
"D_galacturonic_acid","bmse000216",10,74.2733,11.54
"D_galacturonic_acid","bmse000216",11,74.0687,8.3
"D_galacturonic_acid","bmse000216",12,73.5175,7.92
"D_galacturonic_acid","bmse000216",13,73.4128,1.2
"D_galacturonic_acid","bmse000216",14,73.0403,11.9
"D_galacturonic_acid","bmse000216",15,72.0425,8.11
"D_galacturonic_acid","bmse000216",16,70.7295,8.19
"melibiose","bmse000215",1,100.9074,4.94
"melibiose","bmse000215",2,100.8624,8.18
"melibiose","bmse000215",3,98.7735,7.77
"melibiose","bmse000215",4,94.8936,4.8
"melibiose","bmse000215",5,78.5818,7.92
"melibiose","bmse000215",6,77.0481,7.86
"melibiose","bmse000215",7,76.7432,7.91
"melibiose","bmse000215",8,75.641,4.51
"melibiose","bmse000215",9,74.115,4.66
"melibiose","bmse000215",10,73.6521,8.63
"melibiose","bmse000215",11,72.7897,4.38
"melibiose","bmse000215",12,72.2675,4.58
"melibiose","bmse000215",13,72.1681,11.13
"melibiose","bmse000215",14,72.1168,8.41
"melibiose","bmse000215",15,71.8969,12.5
"melibiose","bmse000215",16,71.1809,5.01
"melibiose","bmse000215",17,71.1499,8
"melibiose","bmse000215",18,68.5997,3.4
"melibiose","bmse000215",19,68.5048,5.74
"melibiose","bmse000215",20,63.7993,7.48
"raffinose","bmse000221",1,106.4984,12
"raffinose","bmse000221",2,101.1619,11.75
"raffinose","bmse000221",3,94.8107,10.5
"raffinose","bmse000221",4,84.0386,10.37
"raffinose","bmse000221",5,78.9908,10.66
"raffinose","bmse000221",6,76.6708,10.74
"raffinose","bmse000221",7,75.3481,10.62
"raffinose","bmse000221",8,74.0893,10.03
"raffinose","bmse000221",9,73.7298,10.76
"raffinose","bmse000221",10,73.6491,10.76
"raffinose","bmse000221",11,72.1375,11.45
"raffinose","bmse000221",12,72.0811,10.61
"raffinose","bmse000221",13,71.8977,12.5
"raffinose","bmse000221",14,71.1782,10.63
"raffinose","bmse000221",15,68.5609,7.4
"raffinose","bmse000221",16,65.174,9.27
"raffinose","bmse000221",17,64.0591,8.59
"raffinose","bmse000221",18,63.8064,10.78
"phenylacetic_acid","bmse000220",1,140.0132,1.48
"phenylacetic_acid","bmse000220",2,131.8678,12.4
"phenylacetic_acid","bmse000220",3,131.3739,12.5
"phenylacetic_acid","bmse000220",4,129.1624,7.27
"phenylacetic_acid","bmse000220",5,47.1763,7.68
"quinolinic_acid","bmse000219",1,151.0633,4.64
"quinolinic_acid","bmse000219",2,139.9295,12.5
"quinolinic_acid","bmse000219",3,134.2225,1.66
"quinolinic_acid","bmse000219",4,126.3609,1.43
"L_arabinose","bmse000213",1,99.4707,11.84
"L_arabinose","bmse000213",2,95.2773,6.36
"L_arabinose","bmse000213",3,85.6557,1.01
"L_arabinose","bmse000213",4,75.1558,12.46
"L_arabinose","bmse000213",5,74.5445,11.65
"L_arabinose","bmse000213",6,71.3975,5.23
"L_arabinose","bmse000213",7,71.291,6.33
"L_arabinose","bmse000213",8,71.19,12.5
"L_arabinose","bmse000213",9,71.1316,6.46
"L_arabinose","bmse000213",10,69.092,10.76
"L_arabinose","bmse000213",11,65.1629,5.63
"L_arabinose","bmse000213",12,63.7809,1.01
"maleic_acid","bmse000212",1,178.0156,12.5
"maleic_acid","bmse000212",2,138.0455,2.52
"trimethylamine","bmse000224",1,47.3627,12.5
"FAD","bmse000226",1,164.0687,6.03
"FAD","bmse000226",2,160.4644,6.44
"FAD","bmse000226",3,157.4008,5.27
"FAD","bmse000226",4,155.0401,6.79
"FAD","bmse000226",5,153.2024,6.31
"FAD","bmse000226",6,152.7018,4.88
"FAD","bmse000226",7,150.7506,8.42
"FAD","bmse000226",8,141.8033,9.25
"FAD","bmse000226",9,137.3022,7.38
"FAD","bmse000226",10,136.7199,6.9
"FAD","bmse000226",11,134.1126,5.24
"FAD","bmse000226",12,133.1145,6.31
"FAD","bmse000226",13,120.4006,4.97
"FAD","bmse000226",14,119.1392,5.98
"FAD","bmse000226",15,89.8286,8.42
"FAD","bmse000226",16,86.1706,4.9
"FAD","bmse000226",17,77.5902,9.53
"FAD","bmse000226",18,75.1902,7.63
"FAD","bmse000226",19,73.8874,4.74
"FAD","bmse000226",20,72.6742,9.77
"FAD","bmse000226",21,72.0204,7.14
"FAD","bmse000226",22,49.8304,4.6
"FAD","bmse000226",23,23.4503,12.23
"FAD","bmse000226",24,21.3064,12.5
"biotin","bmse000227",1,186.5202,3.08
"biotin","bmse000227",2,168.1155,1.31
"biotin","bmse000227",3,64.7083,11.47
"biotin","bmse000227",4,62.9655,10.94
"biotin","bmse000227",5,58.0656,12.5
"biotin","bmse000227",6,42.4481,10.02
"biotin","bmse000227",7,40.0331,11.31
"biotin","bmse000227",8,30.9897,10.73
"biotin","bmse000227",9,30.4007,10.87
"biotin","bmse000227",10,28.3888,11.03
"L_malic_acid","bmse000238",1,183.7653,2.22
"L_malic_acid","bmse000238",2,182.5621,2.11
"L_malic_acid","bmse000238",3,73.0565,11
"L_malic_acid","bmse000238",4,45.325,12.5
"DL_pipecolic_acid","bmse000237",1,177.3687,2.02
"DL_pipecolic_acid","bmse000237",2,61.7014,10.46
"DL_pipecolic_acid","bmse000237",3,46.3684,11.14
"DL_pipecolic_acid","bmse000237",4,29.2254,12.03
"DL_pipecolic_acid","bmse000237",5,24.5183,12.5
"DL_pipecolic_acid","bmse000237",6,24.2597,11.72
"alpha_naphthoic_acid","bmse000178",1,180.9525,1.22
"alpha_naphthoic_acid","bmse000178",2,140.3164,2.38
"alpha_naphthoic_acid","bmse000178",3,136.0023,3.43
"alpha_naphthoic_acid","bmse000178",4,131.8378,2.83
"alpha_naphthoic_acid","bmse000178",5,131.5775,11.93
"alpha_naphthoic_acid","bmse000178",6,130.9661,12.32
"alpha_naphthoic_acid","bmse000178",7,129.4469,11.78
"alpha_naphthoic_acid","bmse000178",8,128.9278,12.24
"alpha_naphthoic_acid","bmse000178",9,128.3008,11.2
"alpha_naphthoic_acid","bmse000178",10,128.1263,11.47
"alpha_naphthoic_acid","bmse000178",11,126.9179,12.5
"L_lactic_acid","bmse000208",1,185.2568,1.47
"L_lactic_acid","bmse000208",2,71.1986,10.31
"L_lactic_acid","bmse000208",3,22.7605,12.5
"thymidine","bmse000244",1,169.2606,1.96
"thymidine","bmse000244",2,154.4362,2.17
"thymidine","bmse000244",3,140.2111,10.41
"thymidine","bmse000244",4,114.1556,4.85
"thymidine","bmse000244",5,89.1962,12.5
"thymidine","bmse000244",6,87.7135,11.37
"thymidine","bmse000244",7,73.1301,12.1
"thymidine","bmse000244",8,63.8632,10.49
"thymidine","bmse000244",9,41.1957,10.46
"thymidine","bmse000244",10,14.2614,10.1
"citraconic_acid","bmse000199",1,182.5855,1.19
"citraconic_acid","bmse000199",2,177.0006,1.62
"citraconic_acid","bmse000199",3,150.7235,3.14
"citraconic_acid","bmse000199",4,122.9987,12.5
"citraconic_acid","bmse000199",5,23.083,10.26
"homogentisic_acid","bmse000200",1,183.4495,2.25
"homogentisic_acid","bmse000200",2,151.5798,3.49
"homogentisic_acid","bmse000200",3,150.3577,2.71
"homogentisic_acid","bmse000200",4,128.3103,4.07
"homogentisic_acid","bmse000200",5,120.3611,12.12
"homogentisic_acid","bmse000200",6,119.7948,12.5
"homogentisic_acid","bmse000200",7,117.1989,12.11
"homogentisic_acid","bmse000200",8,42.6626,11.69
"isonicotinic_acid","bmse000133",1,152.265,11.27
"isonicotinic_acid","bmse000133",2,143.3482,1.49
"isonicotinic_acid","bmse000133",3,124.3227,12.5
"homovanillic_acid","bmse000132",1,184.0342,2.31
"homovanillic_acid","bmse000132",2,149.9125,2.75
"homovanillic_acid","bmse000132",3,145.8277,2.64
"homovanillic_acid","bmse000132",4,132.7556,4.92
"homovanillic_acid","bmse000132",5,124.6363,12.01
"homovanillic_acid","bmse000132",6,118.1634,12.5
"homovanillic_acid","bmse000132",7,116.1596,11.86
"homovanillic_acid","bmse000132",8,58.5972,11.89
"homovanillic_acid","bmse000132",9,46.5865,11.75
"cyanuric_acid","bmse000135",1,158.7585,12.5
"ethacrynic_acid","bmse000134",1,202.3118,4.43
"ethacrynic_acid","bmse000134",2,177.9826,5
"ethacrynic_acid","bmse000134",3,158.7271,7.04
"ethacrynic_acid","bmse000134",4,152.4416,9.11
"ethacrynic_acid","bmse000134",5,134.6377,7.45
"ethacrynic_acid","bmse000134",6,134.3055,7.14
"ethacrynic_acid","bmse000134",7,133.1034,4.2
"ethacrynic_acid","bmse000134",8,130.6445,11.98
"ethacrynic_acid","bmse000134",9,124.6188,3.16
"ethacrynic_acid","bmse000134",10,113.5528,12.1
"ethacrynic_acid","bmse000134",11,70.3721,12.5
"ethacrynic_acid","bmse000134",12,25.8093,12.14
"ethacrynic_acid","bmse000134",13,14.5372,10.57
"itaconic_acid","bmse000137",1,183.4319,1.66
"itaconic_acid","bmse000137",2,144.4598,3.08
"itaconic_acid","bmse000137",3,124.7498,11.94
"itaconic_acid","bmse000137",4,44.7199,12.5
"amygdalin","bmse000139",1,135.1591,3.04
"amygdalin","bmse000139",2,133.2211,4.82
"amygdalin","bmse000139",3,132.0805,12.5
"amygdalin","bmse000139",4,130.5071,12.26
"amygdalin","bmse000139",5,121.2539,2.79
"amygdalin","bmse000139",6,105.5549,5
"amygdalin","bmse000139",7,104.1485,4.67
"amygdalin","bmse000139",8,78.6035,5.33
"amygdalin","bmse000139",9,78.2945,5.19
"amygdalin","bmse000139",10,78.182,4.9
"amygdalin","bmse000139",11,78.0819,4.95
"amygdalin","bmse000139",12,75.9,5.09
"amygdalin","bmse000139",13,75.4567,4.78
"amygdalin","bmse000139",14,72.369,5.36
"amygdalin","bmse000139",15,71.8621,4.67
"amygdalin","bmse000139",16,71.7644,5.77
"amygdalin","bmse000139",17,70.9831,3.34
"amygdalin","bmse000139",18,63.4233,3.79
"D_cellobiose","bmse000138",1,105.2663,8.21
"D_cellobiose","bmse000138",2,105.2381,5.61
"D_cellobiose","bmse000138",3,98.4528,7.32
"D_cellobiose","bmse000138",4,94.5197,4.61
"D_cellobiose","bmse000138",5,81.4215,4.68
"D_cellobiose","bmse000138",6,81.2838,7.67
"D_cellobiose","bmse000138",7,78.6932,12.12
"D_cellobiose","bmse000138",8,78.1874,12.5
"D_cellobiose","bmse000138",9,77.5013,7.76
"D_cellobiose","bmse000138",10,76.9856,7.78
"D_cellobiose","bmse000138",11,76.5907,7.38
"D_cellobiose","bmse000138",12,75.8703,9.08
"D_cellobiose","bmse000138",13,74.0348,4.8
"D_cellobiose","bmse000138",14,73.925,5.13
"D_cellobiose","bmse000138",15,72.8163,4.72
"D_cellobiose","bmse000138",16,72.1615,6.12
"D_cellobiose","bmse000138",17,72.1439,8.59
"D_cellobiose","bmse000138",18,63.2643,6.56
"D_cellobiose","bmse000138",19,62.74,5.36
"D_cellobiose","bmse000138",20,62.606,3.56
"gamma_D_galactonolactone","bmse000141",1,178.7234,2.86
"gamma_D_galactonolactone","bmse000141",2,82.7298,12.5
"gamma_D_galactonolactone","bmse000141",3,76.4007,12.48
"gamma_D_galactonolactone","bmse000141",4,75.5187,12.19
"gamma_D_galactonolactone","bmse000141",5,74.2346,3.63
"gamma_D_galactonolactone","bmse000141",6,74.0161,3.26
"gamma_D_galactonolactone","bmse000141",7,72.7812,3.45
"gamma_D_galactonolactone","bmse000141",8,72.4324,3.36
"gamma_D_galactonolactone","bmse000141",9,71.5773,12.34
"gamma_D_galactonolactone","bmse000141",10,66.0277,3.07
"gamma_D_galactonolactone","bmse000141",11,64.6899,11.19
"D_glucuronate","bmse000140",1,179.6525,1.52
"D_glucuronate","bmse000140",2,178.6724,2.78
"D_glucuronate","bmse000140",3,98.5755,11.73
"D_glucuronate","bmse000140",4,94.8123,7.69
"D_glucuronate","bmse000140",5,78.959,12.5
"D_glucuronate","bmse000140",6,78.2467,11.99
"D_glucuronate","bmse000140",7,76.6906,11.59
"D_glucuronate","bmse000140",8,75.2591,7.37
"D_glucuronate","bmse000140",9,74.8051,6.93
"D_glucuronate","bmse000140",10,74.5748,8
"D_glucuronate","bmse000140",11,74.5431,12.46
"D_glucuronate","bmse000140",12,73.9985,7.55
"L_gulonolactone","bmse000235",1,180.7006,2.42
"L_gulonolactone","bmse000235",2,84.0626,11.74
"L_gulonolactone","bmse000235",3,76.1965,2.96
"L_gulonolactone","bmse000235",4,75.331,3.02
"L_gulonolactone","bmse000235",5,74.9955,3.01
"L_gulonolactone","bmse000235",6,73.5223,12.5
"L_gulonolactone","bmse000235",7,73.1631,3.21
"L_gulonolactone","bmse000235",8,72.7983,12.19
"L_gulonolactone","bmse000235",9,72.2798,12.42
"L_gulonolactone","bmse000235",10,65.2205,2.74
"L_gulonolactone","bmse000235",11,64.1843,11.09
"glycogen","bmse000232",1,102.5103,8.96
"glycogen","bmse000232",2,79.5505,5.53
"glycogen","bmse000232",3,75.5834,9.32
"glycogen","bmse000232",4,74.2061,12.5
"glycogen","bmse000232",5,72.0454,4.53
"glycogen","bmse000232",6,63.2055,9.29
"melibiose","bmse000233",1,100.9084,5.19
"melibiose","bmse000233",2,100.8632,7.98
"melibiose","bmse000233",3,98.7735,7.66
"melibiose","bmse000233",4,94.8931,4.76
"melibiose","bmse000233",5,78.5818,7.97
"melibiose","bmse000233",6,77.0484,7.73
"melibiose","bmse000233",7,76.7428,7.76
"melibiose","bmse000233",8,75.6402,4.58
"melibiose","bmse000233",9,74.1149,4.63
"melibiose","bmse000233",10,73.6528,8.49
"melibiose","bmse000233",11,72.7893,4.29
"melibiose","bmse000233",12,72.267,4.52
"melibiose","bmse000233",13,72.1674,11.07
"melibiose","bmse000233",14,72.1167,8.55
"melibiose","bmse000233",15,71.8963,12.5
"melibiose","bmse000233",16,71.1803,5.19
"melibiose","bmse000233",17,71.1491,7.83
"melibiose","bmse000233",18,68.5995,3.44
"melibiose","bmse000233",19,68.5046,5.7
"melibiose","bmse000233",20,63.7983,7.42
"D_glucono_1_5_lactone","bmse000230",1,181.2312,2.98
"D_glucono_1_5_lactone","bmse000230",2,76.6877,12.5
"D_glucono_1_5_lactone","bmse000230",3,75.204,12.42
"D_glucono_1_5_lactone","bmse000230",4,73.8622,12.42
"D_glucono_1_5_lactone","bmse000230",5,73.6372,12.42
"D_glucono_1_5_lactone","bmse000230",6,65.3046,10.99
"N_acetyl_D_glucosamine","bmse000231",1,177.4899,2.8
"N_acetyl_D_glucosamine","bmse000231",2,177.2462,4.07
"N_acetyl_D_glucosamine","bmse000231",3,97.6343,8.26
"N_acetyl_D_glucosamine","bmse000231",4,93.5456,12.5
"N_acetyl_D_glucosamine","bmse000231",5,78.6606,9.02
"N_acetyl_D_glucosamine","bmse000231",6,76.5921,8.56
"N_acetyl_D_glucosamine","bmse000231",7,74.2719,12.4
"N_acetyl_D_glucosamine","bmse000231",8,73.3628,12.21
"N_acetyl_D_glucosamine","bmse000231",9,72.7507,12.34
"N_acetyl_D_glucosamine","bmse000231",10,72.5242,8.84
"N_acetyl_D_glucosamine","bmse000231",11,63.4249,7.22
"N_acetyl_D_glucosamine","bmse000231",12,63.2564,10.49
"N_acetyl_D_glucosamine","bmse000231",13,59.3824,8.25
"N_acetyl_D_glucosamine","bmse000231",14,56.8002,11.86
"N_acetyl_D_glucosamine","bmse000231",15,24.8865,6.38
"N_acetyl_D_glucosamine","bmse000231",16,24.609,9.19
"polygalacturonic_acid","bmse000228",1,178.1914,12.5
"polygalacturonic_acid","bmse000228",2,101.6522,9.97
"polygalacturonic_acid","bmse000228",3,80.5569,9.65
"polygalacturonic_acid","bmse000228",4,73.9772,8.45
"polygalacturonic_acid","bmse000228",5,71.4996,8.28
"polygalacturonic_acid","bmse000228",6,70.7598,8.29
"polygalacturonic_acid","bmse000228",7,26.4074,3.65
"D_saccharate","bmse000239",1,181.3679,2.13
"D_saccharate","bmse000239",2,181.237,1.95
"D_saccharate","bmse000239",3,76.4264,11.96
"D_saccharate","bmse000239",4,76.4165,12.5
"D_saccharate","bmse000239",5,76.2846,9.51
"D_saccharate","bmse000239",6,74.3621,9.95
"stachyose","bmse000240",1,106.5168,12.21
"stachyose","bmse000240",2,101.06,8.92
"stachyose","bmse000240",3,100.7169,10.76
"stachyose","bmse000240",4,94.8219,8.89
"stachyose","bmse000240",5,84.0524,9.16
"stachyose","bmse000240",6,78.9976,9.04
"stachyose","bmse000240",7,76.6795,9.2
"stachyose","bmse000240",8,75.4111,9
"stachyose","bmse000240",9,73.9757,8.23
"stachyose","bmse000240",10,73.7006,10.47
"stachyose","bmse000240",11,73.6476,9.63
"stachyose","bmse000240",12,72.1972,12.5
"stachyose","bmse000240",13,72.173,10.25
"stachyose","bmse000240",14,72.0684,10.06
"stachyose","bmse000240",15,72.0362,10.92
"stachyose","bmse000240",16,71.9303,12.49
"stachyose","bmse000240",17,71.5019,8.73
"stachyose","bmse000240",18,71.1393,9.07
"stachyose","bmse000240",19,70.9835,10.63
"stachyose","bmse000240",20,69.1734,6.48
"stachyose","bmse000240",21,68.5201,5.87
"stachyose","bmse000240",22,65.1886,8.65
"stachyose","bmse000240",23,64.0756,7.23
"stachyose","bmse000240",24,63.8499,10.36
"L_tartaric_acid","bmse000167",1,181.2992,12.5
"D_xylonate_cadmium","bmse000166",1,181.2863,3.14
"D_xylonate_cadmium","bmse000166",2,75.334,10.18
"D_xylonate_cadmium","bmse000166",3,75.0844,12.5
"D_xylonate_cadmium","bmse000166",4,65.059,9.59
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",1,177.4252,6.68
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",2,95.4941,6.42
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",3,95.4396,6.74
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",4,74.801,12.35
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",5,74.139,11.43
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",6,72.7232,12.5
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",7,63.4049,10.26
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",8,60.1376,1.31
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",9,56.8998,5.8
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",10,56.8264,6.12
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",11,24.8578,11.78
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",12,19.5062,1.22
"L_ornithine","bmse000162",1,177.052,2.52
"L_ornithine","bmse000162",2,56.8032,12.42
"L_ornithine","bmse000162",3,41.5581,10.67
"L_ornithine","bmse000162",4,30.183,12.5
"L_ornithine","bmse000162",5,25.4674,10.78
"D_alanine","bmse000236",1,178.5839,1.59
"D_alanine","bmse000236",2,53.2011,9.79
"D_alanine","bmse000236",3,18.8519,12.5
"4_nitrophenol","bmse000223",1,130.0111,12.5
"4_nitrophenol","bmse000223",2,129.9947,12.29
"4_nitrophenol","bmse000223",3,120.3011,8.51
"4_nitrophenol","bmse000223",4,120.2591,10.79
"D_L_glyceraldehyde","bmse000225",1,92.4597,11.03
"D_L_glyceraldehyde","bmse000225",2,76.7639,11.48
"D_L_glyceraldehyde","bmse000225",3,64.6759,12.5
"4_hydroxycinnamic_acid","bmse000150",1,178.908,1.38
"4_hydroxycinnamic_acid","bmse000150",2,159.818,1.85
"4_hydroxycinnamic_acid","bmse000150",3,143.5246,4.55
"4_hydroxycinnamic_acid","bmse000150",4,132.2994,11.74
"4_hydroxycinnamic_acid","bmse000150",5,130.1932,2.25
"4_hydroxycinnamic_acid","bmse000150",6,124.1229,4.91
"4_hydroxycinnamic_acid","bmse000150",7,118.5321,12.5
"alpha_D_galactose_1_phosphate","bmse000151",1,96.62,5.96
"alpha_D_galactose_1_phosphate","bmse000151",2,96.566,5.93
"alpha_D_galactose_1_phosphate","bmse000151",3,73.8281,11.4
"alpha_D_galactose_1_phosphate","bmse000151",4,72.304,10.42
"alpha_D_galactose_1_phosphate","bmse000151",5,72.1558,12.5
"alpha_D_galactose_1_phosphate","bmse000151",6,71.7402,5.87
"alpha_D_galactose_1_phosphate","bmse000151",7,71.6737,5.84
"alpha_D_galactose_1_phosphate","bmse000151",8,64.0705,10.09
"dAMP","bmse000250",1,155.0627,3.71
"dAMP","bmse000250",2,142.9366,3.42
"dAMP","bmse000250",3,90.1821,11.54
"dAMP","bmse000250",4,87.3797,7.1
"dAMP","bmse000250",5,74.0139,10.26
"dAMP","bmse000250",6,64.4148,12.5
"dAMP","bmse000250",7,41.7694,7.82
"Oxalosuccinate","bmse000251",1,184.1371,2.15
"Oxalosuccinate","bmse000251",2,172.7664,1.95
"Oxalosuccinate","bmse000251",3,52.8383,1.48
"Oxalosuccinate","bmse000251",4,38.5758,5.93
"Oxalosuccinate","bmse000251",5,38.454,1.48
"Oxalosuccinate","bmse000251",6,38.2644,1.54
"Oxalosuccinate","bmse000251",7,38.0683,1.39
"Oxalosuccinate","bmse000251",8,36.9355,3.83
"Oxalosuccinate","bmse000251",9,35.3007,1.19
"Oxalosuccinate","bmse000251",10,34.9692,1.16
"Oxalosuccinate","bmse000251",11,33.3147,5.48
"Oxalosuccinate","bmse000251",12,33.2611,6.95
"Oxalosuccinate","bmse000251",13,33.2048,12.5
"Oxalosuccinate","bmse000251",14,25.9719,1.99
"Salicylate","bmse000252",1,178.336,1.8
"Salicylate","bmse000252",2,162.3095,1.9
"Salicylate","bmse000252",3,136.7054,12.5
"Salicylate","bmse000252",4,133.2002,11.8
"Salicylate","bmse000252",5,122.0978,11.69
"Salicylate","bmse000252",6,120.713,2.32
"Salicylate","bmse000252",7,119.007,12.31
"dADP","bmse000253",1,158.1421,4.9
"dADP","bmse000253",2,155.3005,9.18
"dADP","bmse000253",3,151.2181,2.23
"dADP","bmse000253",4,142.6258,3.6
"dADP","bmse000253",5,121.1832,1.88
"dADP","bmse000253",6,88.4189,5.03
"dADP","bmse000253",7,88.3329,5.02
"dADP","bmse000253",8,86.1412,10.03
"dADP","bmse000253",9,73.3197,12.5
"dADP","bmse000253",10,67.3652,4.1
"dADP","bmse000253",11,67.3129,3.98
"dADP","bmse000253",12,41.5514,9.81
"D_Fructose_1_phosphate","bmse000254",1,100.8301,3.74
"D_Fructose_1_phosphate","bmse000254",2,100.7578,3.97
"D_Fructose_1_phosphate","bmse000254",3,83.1443,1.21
"D_Fructose_1_phosphate","bmse000254",4,78.79,1.8
"D_Fructose_1_phosphate","bmse000254",5,76.8304,1.21
"D_Fructose_1_phosphate","bmse000254",6,72.0493,12.5
"D_Fructose_1_phosphate","bmse000254",7,71.8351,11.69
"D_Fructose_1_phosphate","bmse000254",8,70.5098,12.35
"D_Fructose_1_phosphate","bmse000254",9,68.9967,5.19
"D_Fructose_1_phosphate","bmse000254",10,68.9492,5.25
"D_Fructose_1_phosphate","bmse000254",11,66.0887,9.73
"D_Fructose_1_phosphate","bmse000254",12,64.969,2.12
"D_Fructose_1_phosphate","bmse000254",13,64.1264,1.29
"ITP","bmse000255",1,161.4399,4.25
"ITP","bmse000255",2,151.5943,2.62
"ITP","bmse000255",3,149.0201,9.65
"ITP","bmse000255",4,142.5226,5.74
"ITP","bmse000255",5,126.3562,2.24
"ITP","bmse000255",6,90.276,1.56
"ITP","bmse000255",7,89.9312,10.81
"ITP","bmse000255",8,86.8306,5.65
"ITP","bmse000255",9,86.7415,5.81
"ITP","bmse000255",10,77.2254,2.18
"ITP","bmse000255",11,77.1273,12.5
"ITP","bmse000255",12,72.8596,11.68
"ITP","bmse000255",13,72.5243,2.14
"ITP","bmse000255",14,67.7479,4.35
"ITP","bmse000255",15,67.695,4.23
"Formaldehyde","bmse000256",1,84.4358,12.5
"FMN","bmse000257",1,163.2526,6.78
"FMN","bmse000257",2,160.3175,7.33
"FMN","bmse000257",3,153.429,6.6
"FMN","bmse000257",4,152.3129,4.11
"FMN","bmse000257",5,142.1584,7.18
"FMN","bmse000257",6,136.6282,6.86
"FMN","bmse000257",7,136.1877,6.82
"FMN","bmse000257",8,134.1083,4
"FMN","bmse000257",9,132.8224,4.98
"FMN","bmse000257",10,119.7064,4.78
"FMN","bmse000257",11,75.2209,6.14
"FMN","bmse000257",12,74.4868,3.9
"FMN","bmse000257",13,74.4237,3.92
"FMN","bmse000257",14,72.0087,6.36
"FMN","bmse000257",15,67.8012,3.52
"FMN","bmse000257",16,50.1474,2.93
"FMN","bmse000257",17,23.466,11.62
"FMN","bmse000257",18,21.3437,12.5
"Glycolaldehyde","bmse000258",1,92.374,9.81
"Glycolaldehyde","bmse000258",2,67.1623,12.5
"4_Hydroxybenzaldehyde","bmse000259",1,197.0798,3.76
"4_Hydroxybenzaldehyde","bmse000259",2,136.1538,9.71
"4_Hydroxybenzaldehyde","bmse000259",3,129.545,1.03
"4_Hydroxybenzaldehyde","bmse000259",4,119.8609,12.5
"Nicotinamide_D_ribonucleotide","bmse000260",1,175.8236,3.35
"Nicotinamide_D_ribonucleotide","bmse000260",2,141.0654,10.52
"Nicotinamide_D_ribonucleotide","bmse000260",3,127.6138,9.12
"Nicotinamide_D_ribonucleotide","bmse000260",4,108.182,10.66
"Nicotinamide_D_ribonucleotide","bmse000260",5,103.4044,6.52
"Nicotinamide_D_ribonucleotide","bmse000260",6,103.1839,1.61
"Nicotinamide_D_ribonucleotide","bmse000260",7,97.6396,11.48
"Nicotinamide_D_ribonucleotide","bmse000260",8,85.9422,6.34
"Nicotinamide_D_ribonucleotide","bmse000260",9,85.8555,6.04
"Nicotinamide_D_ribonucleotide","bmse000260",10,80.4925,1.81
"Nicotinamide_D_ribonucleotide","bmse000260",11,74.2063,1.79
"Nicotinamide_D_ribonucleotide","bmse000260",12,73.4952,12.5
"Nicotinamide_D_ribonucleotide","bmse000260",13,73.3372,12.21
"Nicotinamide_D_ribonucleotide","bmse000260",14,66.7617,5.06
"Nicotinamide_D_ribonucleotide","bmse000260",15,66.7167,4.78
"Nicotinamide_D_ribonucleotide","bmse000260",16,24.6964,9.6
"Acetyl_phosphate","bmse000261",1,175.0096,3.44
"Acetyl_phosphate","bmse000261",2,25.9801,10.24
"Acetyl_phosphate","bmse000261",3,24.7883,12.5
"Acetyl_phosphate","bmse000261",4,24.7425,11.1
"3_4_Hydroxyphenyl_pyruvate","bmse000262",1,157.3242,1.3
"3_4_Hydroxyphenyl_pyruvate","bmse000262",2,133.865,7.91
"3_4_Hydroxyphenyl_pyruvate","bmse000262",3,118.3826,12.5
"3_4_Hydroxyphenyl_pyruvate","bmse000262",4,117.7478,1.45
"NADP","bmse000263",1,167.8496,4.47
"NADP","bmse000263",2,158.1147,5.39
"NADP","bmse000263",3,155.428,9.01
"NADP","bmse000263",4,151.6757,5.76
"NADP","bmse000263",5,148.3745,7.75
"NADP","bmse000263",6,145.0167,6.29
"NADP","bmse000263",7,142.8886,8.29
"NADP","bmse000263",8,142.5477,5.92
"NADP","bmse000263",9,136.304,8.28
"NADP","bmse000263",10,131.3453,8.51
"NADP","bmse000263",11,121.1612,3.82
"NADP","bmse000263",12,102.729,11.11
"NADP","bmse000263",13,89.8221,5.86
"NADP","bmse000263",14,89.7336,5.64
"NADP","bmse000263",15,89.2538,5.26
"NADP","bmse000263",16,89.1719,5.28
"NADP","bmse000263",17,85.7472,5.48
"NADP","bmse000263",18,85.6577,5.52
"NADP","bmse000263",19,80.3221,12.5
"NADP","bmse000263",20,78.7636,5.55
"NADP","bmse000263",21,78.722,5.71
"NADP","bmse000263",22,73.3731,12.23
"NADP","bmse000263",23,72.7335,7.06
"NADP","bmse000263",24,68.2193,4.11
"NADP","bmse000263",25,67.6754,4.43
"NADP","bmse000263",26,57.0544,1.98
"4_Nitrophenyl_phosphate","bmse000264",1,163.0405,1.08
"4_Nitrophenyl_phosphate","bmse000264",2,144.5179,1.04
"4_Nitrophenyl_phosphate","bmse000264",3,128.4131,12.5
"4_Nitrophenyl_phosphate","bmse000264",4,122.6671,7.06
"4_Nitrophenyl_phosphate","bmse000264",5,122.6148,7.04
"4_Nitrocatechol","bmse000265",1,164.1278,1.69
"4_Nitrocatechol","bmse000265",2,148.5107,2.32
"4_Nitrocatechol","bmse000265",3,138.4594,1.3
"4_Nitrocatechol","bmse000265",4,122.9045,11.12
"4_Nitrocatechol","bmse000265",5,118.6529,12.08
"4_Nitrocatechol","bmse000265",6,112.45,12.5
"UDP","bmse000266",1,169.0888,5
"UDP","bmse000266",2,154.545,3.74
"UDP","bmse000266",3,144.5243,8.52
"UDP","bmse000266",4,105.234,10.35
"UDP","bmse000266",5,91.4445,11.2
"UDP","bmse000266",6,85.9024,5.62
"UDP","bmse000266",7,85.8136,5.66
"UDP","bmse000266",8,76.5959,12.5
"UDP","bmse000266",9,71.8259,11.92
"UDP","bmse000266",10,66.8315,4.4
"UDP","bmse000266",11,66.7792,4.54
"Formamide","bmse000267",1,169.4492,12.5
"R_Lactate","bmse000269",1,185.265,2.92
"R_Lactate","bmse000269",2,71.1978,10.49
"R_Lactate","bmse000269",3,22.7641,12.5
"GDP","bmse000270",1,161.6068,4.89
"GDP","bmse000270",2,156.6326,5.27
"GDP","bmse000270",3,154.1538,4.67
"GDP","bmse000270",4,140.2801,1.14
"GDP","bmse000270",5,140.1096,6.84
"GDP","bmse000270",6,118.7579,3.69
"GDP","bmse000270",7,89.8065,11.14
"GDP","bmse000270",8,86.2198,5.66
"GDP","bmse000270",9,86.132,5.77
"GDP","bmse000270",10,76.7534,12.5
"GDP","bmse000270",11,72.5131,12.28
"GDP","bmse000270",12,67.1729,4.45
"GDP","bmse000270",13,67.1215,4.26
"CoA","bmse000271",1,177.6817,2.7
"CoA","bmse000271",2,177.4294,8.2
"CoA","bmse000271",3,176.8233,2.08
"CoA","bmse000271",4,176.7106,6.6
"CoA","bmse000271",5,158.389,5.21
"CoA","bmse000271",6,155.6654,8.04
"CoA","bmse000271",7,155.5753,5.97
"CoA","bmse000271",8,152.1398,5.55
"CoA","bmse000271",9,152.0219,2.76
"CoA","bmse000271",10,142.9347,4.88
"CoA","bmse000271",11,142.6212,6.68
"CoA","bmse000271",12,121.3186,3.76
"CoA","bmse000271",13,89.3885,6.08
"CoA","bmse000271",14,89.1901,9.09
"CoA","bmse000271",15,87.3585,1.54
"CoA","bmse000271",16,87.3087,1.85
"CoA","bmse000271",17,87.2237,1.74
"CoA","bmse000271",18,86.8498,2.3
"CoA","bmse000271",19,86.7595,2.57
"CoA","bmse000271",20,85.3884,1.1
"CoA","bmse000271",21,79.6453,1.28
"CoA","bmse000271",22,79.1396,1.19
"CoA","bmse000271",23,78.2226,1.22
"CoA","bmse000271",24,77.5422,4.25
"CoA","bmse000271",25,77.2177,3.82
"CoA","bmse000271",26,77.1851,3.69
"CoA","bmse000271",27,76.9949,5.4
"CoA","bmse000271",28,76.9604,4.74
"CoA","bmse000271",29,76.7805,9.52
"CoA","bmse000271",30,76.4673,4.19
"CoA","bmse000271",31,76.4236,8.22
"CoA","bmse000271",32,76.3796,5.46
"CoA","bmse000271",33,74.5542,4.24
"CoA","bmse000271",34,74.4922,3.65
"CoA","bmse000271",35,73.328,2.2
"CoA","bmse000271",36,73.2765,1.86
"CoA","bmse000271",37,68.4744,3.83
"CoA","bmse000271",38,68.4222,3.88
"CoA","bmse000271",39,66.6691,2.47
"CoA","bmse000271",40,66.6238,2.86
"CoA","bmse000271",41,45.0428,4.93
"CoA","bmse000271",42,44.9976,11.76
"CoA","bmse000271",43,44.9048,1.18
"CoA","bmse000271",44,41.1259,2.81
"CoA","bmse000271",45,41.0359,6.14
"CoA","bmse000271",46,40.9558,6.01
"CoA","bmse000271",47,40.7593,1.76
"CoA","bmse000271",48,39.1263,1.74
"CoA","bmse000271",49,38.2973,1.72
"CoA","bmse000271",50,38.1621,9.87
"CoA","bmse000271",51,38.0817,9.25
"CoA","bmse000271",52,25.7997,12.5
"CoA","bmse000271",53,24.0869,1.45
"CoA","bmse000271",54,23.9984,3.96
"CoA","bmse000271",55,23.5128,8.93
"CoA","bmse000271",56,22.6789,1.36
"CoA","bmse000271",57,20.9419,3.81
"CoA","bmse000271",58,20.7819,9.63
"CoA","bmse000271",59,20.1012,1.78
"CDP","bmse000272",1,168.8761,4.9
"CDP","bmse000272",2,160.4002,4.39
"CDP","bmse000272",3,144.5698,1.09
"CDP","bmse000272",4,144.266,8.55
"CDP","bmse000272",5,99.3648,1.46
"CDP","bmse000272",6,99.2242,9.38
"CDP","bmse000272",7,92.2295,11.24
"CDP","bmse000272",8,91.8456,1.72
"CDP","bmse000272",9,85.3396,5.74
"CDP","bmse000272",10,85.2502,5.69
"CDP","bmse000272",11,77.0076,12.5
"CDP","bmse000272",12,72.3706,1.47
"CDP","bmse000272",13,71.4858,12.07
"CDP","bmse000272",14,66.6366,4.51
"CDP","bmse000272",15,66.5841,4.41
"D_Aspartate","bmse000273",1,180.3052,2.2
"D_Aspartate","bmse000273",2,177.0122,1.98
"D_Aspartate","bmse000273",3,54.9072,9.91
"D_Aspartate","bmse000273",4,39.2644,12.5
"Thiamin","bmse000274",1,171.726,5.58
"Thiamin","bmse000274",2,164.5163,3.11
"Thiamin","bmse000274",3,159.8969,10.99
"Thiamin","bmse000274",4,145.552,3.59
"Thiamin","bmse000274",5,138.7379,4.97
"Thiamin","bmse000274",6,107.1899,6.29
"Thiamin","bmse000274",7,63.1255,12.5
"Thiamin","bmse000274",8,53.7574,10.69
"Thiamin","bmse000274",9,31.9248,12.41
"Thiamin","bmse000274",10,26.7632,11.25
"Thiamin","bmse000274",11,13.8517,12.02
"D_Fructose_2_6_bisphosphate","bmse000275",1,106.8714,4.79
"D_Fructose_2_6_bisphosphate","bmse000275",2,106.8017,4.74
"D_Fructose_2_6_bisphosphate","bmse000275",3,82.9825,6.41
"D_Fructose_2_6_bisphosphate","bmse000275",4,82.912,6.28
"D_Fructose_2_6_bisphosphate","bmse000275",5,80.0513,6.58
"D_Fructose_2_6_bisphosphate","bmse000275",6,80.0052,6.39
"D_Fructose_2_6_bisphosphate","bmse000275",7,78.0543,12.5
"D_Fructose_2_6_bisphosphate","bmse000275",8,68.3553,5.53
"D_Fructose_2_6_bisphosphate","bmse000275",9,68.3079,5.71
"D_Fructose_2_6_bisphosphate","bmse000275",10,65.2002,7.1
"D_Fructose_2_6_bisphosphate","bmse000275",11,60.1397,1.11
"D_Fructose_2_6_bisphosphate","bmse000275",12,19.51,1.19
"Ethanolamine","bmse000276",1,60.3171,12.5
"Ethanolamine","bmse000276",2,43.9507,8.05
"CTP","bmse000277",1,168.8983,5.15
"CTP","bmse000277",2,160.5208,4.42
"CTP","bmse000277",3,144.2311,8.6
"CTP","bmse000277",4,99.3524,9.52
"CTP","bmse000277",5,91.8085,11.04
"CTP","bmse000277",6,85.501,5.68
"CTP","bmse000277",7,85.4107,5.57
"CTP","bmse000277",8,77.0203,1.35
"CTP","bmse000277",9,76.8989,12.5
"CTP","bmse000277",10,71.7933,11.89
"CTP","bmse000277",11,71.4631,1.06
"CTP","bmse000277",12,67.272,4.2
"CTP","bmse000277",13,67.2177,4.39
"D_Ribulose_5_phosphate","bmse000278",1,103.8241,7.82
"D_Ribulose_5_phosphate","bmse000278",2,98.9771,2.24
"D_Ribulose_5_phosphate","bmse000278",3,85.3023,1.6
"D_Ribulose_5_phosphate","bmse000278",4,84.6704,3.81
"D_Ribulose_5_phosphate","bmse000278",5,84.5875,4.13
"D_Ribulose_5_phosphate","bmse000278",6,78.03,9.99
"D_Ribulose_5_phosphate","bmse000278",7,73.4112,12.5
"D_Ribulose_5_phosphate","bmse000278",8,72.931,3.83
"D_Ribulose_5_phosphate","bmse000278",9,67.3547,5.39
"D_Ribulose_5_phosphate","bmse000278",10,67.3093,5.5
"D_Ribulose_5_phosphate","bmse000278",11,66.4813,2.3
"Urocanate","bmse000279",1,178.6198,2.5
"Urocanate","bmse000279",2,140.3626,11.29
"Urocanate","bmse000279",3,137.0776,2.14
"Urocanate","bmse000279",4,133.668,10.36
"Urocanate","bmse000279",5,124.4849,12.5
"Urocanate","bmse000279",6,123.9802,8.38
"UMP","bmse000280",1,169.0839,4.57
"UMP","bmse000280",2,154.6578,3.41
"UMP","bmse000280",3,144.8275,8.54
"UMP","bmse000280",4,105.3924,10.43
"UMP","bmse000280",5,91.006,11.31
"UMP","bmse000280",6,86.9204,5.97
"UMP","bmse000280",7,86.8326,6.05
"UMP","bmse000280",8,76.6643,12.5
"UMP","bmse000280",9,72.7729,12.16
"UMP","bmse000280",10,65.9126,4.79
"UMP","bmse000280",11,65.8681,4.9
"Nicotinamide","bmse000281",1,154.5266,12.5
"Nicotinamide","bmse000281",2,150.344,11.49
"Nicotinamide","bmse000281",3,139.1539,11.48
"Nicotinamide","bmse000281",4,131.9398,1.76
"Nicotinamide","bmse000281",5,126.9235,10.76
"DL_Alanine","bmse000282",1,178.5738,1.77
"DL_Alanine","bmse000282",2,53.2017,9.6
"DL_Alanine","bmse000282",3,18.85,12.5
"Orotate","bmse000283",1,104.064,12.5
"Benzonitrile","bmse000284",1,136.2019,8.6
"Benzonitrile","bmse000284",2,135.1116,12.5
"Benzonitrile","bmse000284",3,131.8912,12.48
"Choline","bmse000285",1,70.1479,3.39
"Choline","bmse000285",2,70.1177,3.59
"Choline","bmse000285",3,70.0875,3.34
"Choline","bmse000285",4,58.3089,8.06
"Choline","bmse000285",5,56.621,11.8
"Choline","bmse000285",6,56.5813,12.5
"Choline","bmse000285",7,56.542,12.01
"Acetophenone","bmse000286",1,136.8469,7.17
"Acetophenone","bmse000286",2,131.5104,12.5
"Acetophenone","bmse000286",3,131.2516,11.84
"Acetophenone","bmse000286",4,28.9711,3.47
"Pantothenate","bmse000287",1,183.0208,3.24
"Pantothenate","bmse000287",2,177.6531,4.02
"Pantothenate","bmse000287",3,78.4586,12.5
"Pantothenate","bmse000287",4,71.0985,10.81
"Pantothenate","bmse000287",5,41.2778,8.26
"Pantothenate","bmse000287",6,39.3779,10.45
"Pantothenate","bmse000287",7,38.8533,9.94
"Pantothenate","bmse000287",8,23.2349,9.96
"Pantothenate","bmse000287",9,21.8424,10.1
"Pyridoxine","bmse000288",1,163.4259,2.28
"Pyridoxine","bmse000288",2,146.9983,3.52
"Pyridoxine","bmse000288",3,141.4468,3.78
"Pyridoxine","bmse000288",4,138.1842,4.52
"Pyridoxine","bmse000288",5,127.4073,3.84
"Pyridoxine","bmse000288",6,61.4656,12.5
"Pyridoxine","bmse000288",7,58.6687,10.33
"Pyridoxine","bmse000288",8,18.2013,8.23
"S_Adenosyl_L_homocysteine","bmse000289",1,176.8876,4.61
"S_Adenosyl_L_homocysteine","bmse000289",2,158.3878,3.44
"S_Adenosyl_L_homocysteine","bmse000289",3,155.6615,9.39
"S_Adenosyl_L_homocysteine","bmse000289",4,151.6956,3.2
"S_Adenosyl_L_homocysteine","bmse000289",5,142.814,7.91
"S_Adenosyl_L_homocysteine","bmse000289",6,121.5644,2.04
"S_Adenosyl_L_homocysteine","bmse000289",7,90.125,10.63
"S_Adenosyl_L_homocysteine","bmse000289",8,90.0104,2.04
"S_Adenosyl_L_homocysteine","bmse000289",9,86.1029,11.9
"S_Adenosyl_L_homocysteine","bmse000289",10,75.9715,11.38
"S_Adenosyl_L_homocysteine","bmse000289",11,75.0004,12.5
"S_Adenosyl_L_homocysteine","bmse000289",12,56.4364,10.43
"S_Adenosyl_L_homocysteine","bmse000289",13,36.2065,8.4
"S_Adenosyl_L_homocysteine","bmse000289",14,33.1203,8.91
"S_Adenosyl_L_homocysteine","bmse000289",15,30.4627,9.14
"Phenol","bmse000290",1,132.703,11.87
"Phenol","bmse000290",2,123.3534,6.56
"Phenol","bmse000290",3,118.0886,12.5
"Selenomethionine","bmse000291",1,176.8764,2.7
"Selenomethionine","bmse000291",2,57.3265,11.71
"Selenomethionine","bmse000291",3,33.5106,11.73
"Selenomethionine","bmse000291",4,21.8408,12.5
"Selenomethionine","bmse000291",5,5.875,6.96
"UDPglucuronate","bmse000292",1,179.1513,4.63
"UDPglucuronate","bmse000292",2,169.0242,5.14
"UDPglucuronate","bmse000292",3,154.6097,3.93
"UDPglucuronate","bmse000292",4,144.2873,8.42
"UDPglucuronate","bmse000292",5,105.4108,10.1
"UDPglucuronate","bmse000292",6,98.1166,5.83
"UDPglucuronate","bmse000292",7,98.0506,5.78
"UDPglucuronate","bmse000292",8,91.0126,10.69
"UDPglucuronate","bmse000292",9,86.0368,5.52
"UDPglucuronate","bmse000292",10,85.9455,5.68
"UDPglucuronate","bmse000292",11,76.498,12.5
"UDPglucuronate","bmse000292",12,75.7603,10.99
"UDPglucuronate","bmse000292",13,75.2986,10.18
"UDPglucuronate","bmse000292",14,74.5675,11.19
"UDPglucuronate","bmse000292",15,74.1227,5.66
"UDPglucuronate","bmse000292",16,74.0395,5.54
"UDPglucuronate","bmse000292",17,72.367,11.96
"UDPglucuronate","bmse000292",18,67.7081,4.35
"UDPglucuronate","bmse000292",19,67.6532,4.54
"UDPglucuronate","bmse000292",20,60.142,1.01
"UDPglucuronate","bmse000292",21,19.5053,1.3
"Hydroquinone","bmse000293",1,151.6552,1.09
"Hydroquinone","bmse000293",2,119.0705,12.5
"Methanol","bmse000294",1,51.571,12.5
"Methanol","bmse000294",2,8.3835,1.29
"UTP","bmse000295",1,169.0527,4.84
"UTP","bmse000295",2,154.6305,3.56
"UTP","bmse000295",3,144.4685,8.62
"UTP","bmse000295",4,105.3558,9.9
"UTP","bmse000295",5,90.9803,10.91
"UTP","bmse000295",6,86.0794,5.45
"UTP","bmse000295",7,85.9897,5.66
"UTP","bmse000295",8,76.4645,12.5
"UTP","bmse000295",9,72.1667,11.59
"UTP","bmse000295",10,67.5196,4.26
"UTP","bmse000295",11,67.4644,4.32
"UTP","bmse000295",12,60.1427,1.1
"dTMP","bmse000296",1,169.2356,1.23
"dTMP","bmse000296",2,160.5265,1.29
"dTMP","bmse000296",3,154.4333,1.31
"dTMP","bmse000296",4,140.1216,3.35
"dTMP","bmse000296",5,114.2982,2.37
"dTMP","bmse000296",6,88.3382,2.04
"dTMP","bmse000296",7,88.2519,1.87
"dTMP","bmse000296",8,87.8416,3.66
"dTMP","bmse000296",9,73.7576,4.03
"dTMP","bmse000296",10,69.7071,3.43
"dTMP","bmse000296",11,69.6331,3.39
"dTMP","bmse000296",12,68.674,6.88
"dTMP","bmse000296",13,67.0077,1.54
"dTMP","bmse000296",14,66.9519,1.6
"dTMP","bmse000296",15,57.1741,5.62
"dTMP","bmse000296",16,50.7174,6.42
"dTMP","bmse000296",17,47.4494,6.5
"dTMP","bmse000296",18,41.3959,3.4
"dTMP","bmse000296",19,35.6124,12.5
"dTMP","bmse000296",20,27.378,11.97
"dTMP","bmse000296",21,27.3297,7.39
"dTMP","bmse000296",22,14.3887,4.03
"Ethanol","bmse000297",1,60.1347,10.57
"Ethanol","bmse000297",2,19.4922,12.5
"D_Glyceraldehyde","bmse000298",1,92.4619,11.47
"D_Glyceraldehyde","bmse000298",2,76.7643,11.97
"D_Glyceraldehyde","bmse000298",3,67.5383,2.02
"D_Glyceraldehyde","bmse000298",4,64.6757,12.5
"Folate","bmse000299",1,185.1947,10.02
"Folate","bmse000299",2,182.1813,8.33
"Folate","bmse000299",3,171.6618,6.23
"Folate","bmse000299",4,167.4706,1.1
"Folate","bmse000299",5,156.8561,3.58
"Folate","bmse000299",6,154.9662,1.2
"Folate","bmse000299",7,152.4534,5.63
"Folate","bmse000299",8,150.9644,2.57
"Folate","bmse000299",9,150.4027,4.37
"Folate","bmse000299",10,131.6987,1.03
"Folate","bmse000299",11,131.3015,7.38
"Folate","bmse000299",12,129.0129,4.84
"Folate","bmse000299",13,123.0856,5.17
"Folate","bmse000299",14,113.9108,6.41
"Folate","bmse000299",15,58.6333,8.76
"Folate","bmse000299",16,47.4239,2.98
"Folate","bmse000299",17,37.0651,12.5
"Folate","bmse000299",18,31.1742,7.87
"Benzoate","bmse000300",1,138.9121,1.04
"Benzoate","bmse000300",2,133.9731,7.03
"Benzoate","bmse000300",3,131.4957,12.46
"Benzoate","bmse000300",4,131.0181,12.5
"1_3_diaminopropane","bmse000001",1,39.3182,12.5
"1_3_diaminopropane","bmse000001",2,27.6038,6.62
"2_3_diphospho_D_glyceric_acid","bmse000002",1,180.6244,6.14
"2_3_diphospho_D_glyceric_acid","bmse000002",2,77.8926,9.81
"2_3_diphospho_D_glyceric_acid","bmse000002",3,77.8397,8.95
"2_3_diphospho_D_glyceric_acid","bmse000002",4,77.8017,8.58
"2_3_diphospho_D_glyceric_acid","bmse000002",5,77.7593,8.04
"2_3_diphospho_D_glyceric_acid","bmse000002",6,69.2089,12.5
"2_deoxyguanosine","bmse000003",1,140.4376,7.32
"2_deoxyguanosine","bmse000003",2,89.8652,7.61
"2_deoxyguanosine","bmse000003",3,86.6745,9.57
"2_deoxyguanosine","bmse000003",4,73.9059,12.5
"2_deoxyguanosine","bmse000003",5,64.3305,8.45
"2_deoxyguanosine","bmse000003",6,41.3976,8.86
"adenine","bmse000060",1,153.1875,0.8
"adenine","bmse000060",2,151.829,1.02
"adenine","bmse000060",3,147.5748,11.47
"adenine","bmse000060",4,146.3944,12.5
"adenine","bmse000060",5,118.324,0.66
"adenosine","bmse000061",1,155.2065,8.59
"adenosine","bmse000061",2,151.091,3.13
"adenosine","bmse000061",3,143.2708,6.58
"adenosine","bmse000061",4,91.0332,10.74
"adenosine","bmse000061",5,88.5401,11.36
"adenosine","bmse000061",6,76.3929,12.5
"adenosine","bmse000061",7,73.3525,11.01
"adenosine","bmse000061",8,64.2162,10.03
"adenosine","bmse000061",9,133.0864,1.07
"adonitol","bmse000062",1,74.8925,6.76
"adonitol","bmse000062",2,74.8008,11.44
"adonitol","bmse000062",3,65.0705,12.5
"ADP","bmse000004",1,158.1533,6.68
"ADP","bmse000004",2,155.4207,12.01
"ADP","bmse000004",3,151.6456,1.97
"ADP","bmse000004",4,151.5495,1.81
"ADP","bmse000004",5,142.8127,2.95
"ADP","bmse000004",6,142.5832,3.64
"ADP","bmse000004",7,121.1747,1.72
"ADP","bmse000004",8,89.778,10.17
"ADP","bmse000004",9,89.5551,6.01
"ADP","bmse000004",10,87.4621,3.15
"ADP","bmse000004",11,87.3746,3.43
"ADP","bmse000004",12,86.4858,4.81
"ADP","bmse000004",13,86.3979,5.28
"ADP","bmse000004",14,77.2288,6.53
"ADP","bmse000004",15,77.0622,12.5
"ADP","bmse000004",16,73.4056,6.43
"ADP","bmse000004",17,72.6057,12.04
"ADP","bmse000004",18,67.1794,3.82
"ADP","bmse000004",19,67.1297,3.91
"ADP","bmse000004",20,66.2518,2.61
"ADP","bmse000004",21,66.2091,2.71
"agmatine","bmse000063",1,159.5178,1.15
"agmatine","bmse000063",2,43.1542,9.26
"agmatine","bmse000063",3,41.7324,8.53
"agmatine","bmse000063",4,27.7024,11.07
"agmatine","bmse000063",5,26.715,12.5
"D_allose","bmse000008",1,96.1036,10.7
"D_allose","bmse000008",2,95.5286,1.55
"D_allose","bmse000008",3,76.2932,11.82
"D_allose","bmse000008",4,74.3841,1.58
"D_allose","bmse000008",5,73.9304,11.03
"D_allose","bmse000008",6,73.8513,12.02
"D_allose","bmse000008",7,69.7109,1.21
"D_allose","bmse000008",8,69.5516,1.22
"D_allose","bmse000008",9,69.4757,12.5
"D_allose","bmse000008",10,68.7507,2.03
"D_allose","bmse000008",11,63.8517,10.79
"D_allose","bmse000008",12,63.3663,1.24
"D_fructose","bmse000010",1,100.7878,2.8
"D_fructose","bmse000010",2,83.3844,4
"D_fructose","bmse000010",3,78.7409,1.35
"D_fructose","bmse000010",4,78.0833,3.23
"D_fructose","bmse000010",5,77.1431,3.97
"D_fructose","bmse000010",6,72.3808,12.5
"D_fructose","bmse000010",7,71.9017,10.92
"D_fructose","bmse000010",8,70.2559,10.72
"D_fructose","bmse000010",9,66.587,11.06
"D_fructose","bmse000010",10,66.0735,12.1
"D_fructose","bmse000010",11,65.3682,3.85
"D_fructose","bmse000010",12,65.074,4.07
"D_galactose","bmse000013",1,99.1714,10.5
"D_galactose","bmse000013",2,94.9986,5.59
"D_galactose","bmse000013",3,77.8681,12.5
"D_galactose","bmse000013",4,75.5121,11.36
"D_galactose","bmse000013",5,74.5893,11.5
"D_galactose","bmse000013",6,73.1956,6.08
"D_galactose","bmse000013",7,72.0185,5.93
"D_galactose","bmse000013",8,71.879,5.94
"D_galactose","bmse000013",9,71.4595,12.5
"D_galactose","bmse000013",10,71.0589,5.22
"D_galactose","bmse000013",11,63.8951,5.64
"D_galactose","bmse000013",12,63.6909,11.96
"D_glucose","bmse000015",1,98.6177,12.18
"D_glucose","bmse000015",2,94.8017,7.46
"D_glucose","bmse000015",3,78.6602,12.5
"D_glucose","bmse000015",4,78.46,12.38
"D_glucose","bmse000015",5,76.8429,11.94
"D_glucose","bmse000015",6,75.4621,6.95
"D_glucose","bmse000015",7,74.1868,7.96
"D_glucose","bmse000015",8,74.1521,7.85
"D_glucose","bmse000015",9,72.3476,7.59
"D_glucose","bmse000015",10,72.3041,12.25
"D_glucose","bmse000015",11,63.4496,11.55
"D_glucose","bmse000015",12,63.2877,6.43
"D_mannose","bmse000018",1,96.747,10.66
"D_mannose","bmse000018",2,96.3827,5.27
"D_mannose","bmse000018",3,78.8753,4.9
"D_mannose","bmse000018",4,75.7486,5.48
"D_mannose","bmse000018",5,75.1093,11.15
"D_mannose","bmse000018",6,73.9252,5.51
"D_mannose","bmse000018",7,73.3921,10.59
"D_mannose","bmse000018",8,72.9329,10.68
"D_mannose","bmse000018",9,69.5495,10.82
"D_mannose","bmse000018",10,69.3058,5.88
"D_mannose","bmse000018",11,63.666,12.5
"D_psicose","bmse000020",1,105.9793,2.62
"D_psicose","bmse000020",2,101.1482,2.31
"D_psicose","bmse000020",3,85.4184,12.5
"D_psicose","bmse000020",4,77.3405,2.67
"D_psicose","bmse000020",5,74.437,5.54
"D_psicose","bmse000020",6,73.7152,3.61
"D_psicose","bmse000020",7,73.0555,10.59
"D_psicose","bmse000020",8,73.0326,11.16
"D_psicose","bmse000020",9,72.9119,5.49
"D_psicose","bmse000020",10,71.7174,6.08
"D_psicose","bmse000020",11,68.562,7.08
"D_psicose","bmse000020",12,68.1859,7.9
"D_psicose","bmse000020",13,67.7838,6.98
"D_psicose","bmse000020",14,66.8844,6.45
"D_psicose","bmse000020",15,66.6778,4.36
"D_psicose","bmse000020",16,65.9583,9.93
"D_psicose","bmse000020",17,65.7568,6.2
"D_psicose","bmse000020",18,65.5148,3.26
"D_psicose","bmse000020",19,65.0727,3.8
"D_psicose","bmse000020",20,64.029,7.13
"D_psicose","bmse000020",21,60.6736,5.34
"D_sorbose","bmse000022",1,100.4423,2.8
"D_sorbose","bmse000022",2,76.5308,8.63
"D_sorbose","bmse000022",3,73.0506,8.72
"D_sorbose","bmse000022",4,72.1197,12.5
"D_sorbose","bmse000022",5,66.1492,9.88
"D_sorbose","bmse000022",6,64.4696,11
"D_tagatose","bmse000023",1,100.9098,3.49
"D_tagatose","bmse000023",2,73.6229,12.5
"D_tagatose","bmse000023",3,72.484,10.38
"D_tagatose","bmse000023",4,71.9743,2.2
"D_tagatose","bmse000023",5,69.0595,10.53
"D_tagatose","bmse000023",6,66.5918,10.06
"D_tagatose","bmse000023",7,66.403,1.92
"D_tagatose","bmse000023",8,66.1917,1.73
"D_tagatose","bmse000023",9,64.9495,7.98
"D_tagatose","bmse000023",10,62.8345,1.69
"D_xylose","bmse000026",1,99.3304,11.78
"D_xylose","bmse000026",2,94.9405,6.48
"D_xylose","bmse000026",3,78.526,10.11
"D_xylose","bmse000026",4,76.7418,12.5
"D_xylose","bmse000026",5,75.5229,5.77
"D_xylose","bmse000026",6,74.1661,6.42
"D_xylose","bmse000026",7,72.1118,6.54
"D_xylose","bmse000026",8,71.9378,12.28
"D_xylose","bmse000026",9,67.899,10.25
"D_xylose","bmse000026",10,63.6456,5.21
"alpha_ketoglutaric_acid","bmse000064",1,184.1528,2.07
"alpha_ketoglutaric_acid","bmse000064",2,38.5723,12.5
"alpha_ketoglutaric_acid","bmse000064",3,33.3219,9.83
"alpha_lactose","bmse000065",1,105.6382,8.25
"alpha_lactose","bmse000065",2,98.4725,7.33
"alpha_lactose","bmse000065",3,94.539,4.05
"alpha_lactose","bmse000065",4,81.1636,3.89
"alpha_lactose","bmse000065",5,81.0377,6.84
"alpha_lactose","bmse000065",6,78.0734,12.5
"alpha_lactose","bmse000065",7,77.522,7.34
"alpha_lactose","bmse000065",8,77.0808,7.32
"alpha_lactose","bmse000065",9,76.5296,7.28
"alpha_lactose","bmse000065",10,75.2407,11.24
"alpha_lactose","bmse000065",11,74.1286,4.28
"alpha_lactose","bmse000065",12,73.8715,4.75
"alpha_lactose","bmse000065",13,73.6835,9.31
"alpha_lactose","bmse000065",14,72.8271,3.84
"alpha_lactose","bmse000065",15,71.272,8.2
"alpha_lactose","bmse000065",16,63.7524,7.27
"alpha_lactose","bmse000065",17,62.8108,4.95
"alpha_lactose","bmse000065",18,62.6765,3.11
"4_aminobenzoic_acid","bmse000066",1,133.5667,12.5
"4_aminobenzoic_acid","bmse000066",2,128.9442,1.1
"4_aminobenzoic_acid","bmse000066",3,117.8119,11.36
"AMP","bmse000005",1,158.1415,3.52
"AMP","bmse000005",2,155.4083,9.41
"AMP","bmse000005",3,151.6344,4.45
"AMP","bmse000005",4,142.8031,7.78
"AMP","bmse000005",5,121.1486,2.72
"AMP","bmse000005",6,89.5563,11.53
"AMP","bmse000005",7,87.4594,6.04
"AMP","bmse000005",8,87.3722,6.06
"AMP","bmse000005",9,77.2299,12.5
"AMP","bmse000005",10,73.4036,12.24
"AMP","bmse000005",11,66.25,4.83
"AMP","bmse000005",12,66.2055,5.13
"anthranilic_acid","bmse000067",1,150.2702,2.1
"anthranilic_acid","bmse000067",2,134.7227,10.28
"anthranilic_acid","bmse000067",3,133.6538,12.5
"anthranilic_acid","bmse000067",4,123.4956,1.99
"anthranilic_acid","bmse000067",5,120.6937,11.1
"anthranilic_acid","bmse000067",6,120.3926,11.42
"L_arabitol","bmse000068",1,73.609,12.5
"L_arabitol","bmse000068",2,73.1399,11.93
"L_arabitol","bmse000068",3,72.9514,12.49
"L_arabitol","bmse000068",4,65.7296,10.81
"L_arabitol","bmse000068",5,65.6383,9.86
"ATP","bmse000006",1,158.2621,4.05
"ATP","bmse000006",2,155.4997,9.32
"ATP","bmse000006",3,151.7848,3.62
"ATP","bmse000006",4,142.6155,7.12
"ATP","bmse000006",5,121.2616,2.51
"ATP","bmse000006",6,89.3634,10.94
"ATP","bmse000006",7,86.7432,5.75
"ATP","bmse000006",8,86.6543,5.65
"ATP","bmse000006",9,76.9481,12.5
"ATP","bmse000006",10,72.9427,11.75
"ATP","bmse000006",11,67.8017,4.32
"ATP","bmse000006",12,67.7473,4.42
"betaine","bmse000069",1,171.9654,1.21
"betaine","bmse000069",2,68.893,3.07
"betaine","bmse000069",3,68.8587,3.29
"betaine","bmse000069",4,68.8297,3.27
"betaine","bmse000069",5,56.0898,10.14
"betaine","bmse000069",6,56.0509,12.5
"betaine","bmse000069",7,56.0118,10.21
"betaine_aldehyde","bmse000070",1,87.5694,9.74
"betaine_aldehyde","bmse000070",2,56.9587,10.45
"betaine_aldehyde","bmse000070",3,56.9195,12.5
"betaine_aldehyde","bmse000070",4,56.8886,11.17
"cadaverine","bmse000072",1,41.871,11.66
"cadaverine","bmse000072",2,28.9617,12.5
"cadaverine","bmse000072",3,25.3762,5.64
"cAMP","bmse000071",1,158.0318,4.3
"cAMP","bmse000071",2,155.524,10.63
"cAMP","bmse000071",3,150.7719,4.62
"cAMP","bmse000071",4,142.3466,9.68
"cAMP","bmse000071",5,121.2041,3.29
"cAMP","bmse000071",6,94.2109,12.5
"cAMP","bmse000071",7,80.0206,6.2
"cAMP","bmse000071",8,79.9754,6.98
"cAMP","bmse000071",9,75.0214,7.05
"cAMP","bmse000071",10,74.9418,7.25
"cAMP","bmse000071",11,74.463,6.46
"cAMP","bmse000071",12,70.0836,5.58
"cAMP","bmse000071",13,70.0142,5.05
"L_canavanine","bmse000073",1,177.0117,3.9
"L_canavanine","bmse000073",2,161.2671,2
"L_canavanine","bmse000073",3,74.5403,11.99
"L_canavanine","bmse000073",4,55.2855,12.02
"L_canavanine","bmse000073",5,31.809,12.5
"D_carnitine","bmse000074",1,180.7779,2.25
"D_carnitine","bmse000074",2,72.8193,4.47
"D_carnitine","bmse000074",3,72.7942,3.83
"D_carnitine","bmse000074",4,66.791,9.37
"D_carnitine","bmse000074",5,56.8328,10.48
"D_carnitine","bmse000074",6,56.7941,12.5
"D_carnitine","bmse000074",7,56.7554,10.44
"D_carnitine","bmse000074",8,45.6802,6.79
"chorismic_acid","bmse000075",1,155.9825,4.51
"chorismic_acid","bmse000075",2,137.1007,3.63
"chorismic_acid","bmse000075",3,132.6303,11.7
"chorismic_acid","bmse000075",4,131.7674,9.54
"chorismic_acid","bmse000075",5,126.7891,9.9
"chorismic_acid","bmse000075",6,95.5643,8.84
"chorismic_acid","bmse000075",7,82.3153,12.5
"chorismic_acid","bmse000075",8,72.8256,12.45
"citrate","bmse000076",1,184.7215,1.13
"citrate","bmse000076",2,182.0353,2.11
"citrate","bmse000076",3,77.9249,1.44
"citrate","bmse000076",4,48.4023,12.5
"coumarin","bmse000077",1,163.4646,0.72
"coumarin","bmse000077",2,156.7265,1.12
"coumarin","bmse000077",3,146.1206,6.54
"coumarin","bmse000077",4,134.5133,12.5
"coumarin","bmse000077",5,130.5441,8.87
"coumarin","bmse000077",6,127.1083,11.93
"coumarin","bmse000077",7,121.5098,1.08
"coumarin","bmse000077",8,119.5804,6.82
"coumarin","bmse000077",9,119.3784,7.14
"creatine","bmse000078",1,177.3494,1.87
"creatine","bmse000078",2,56.549,12.5
"creatine","bmse000078",3,39.6249,7.16
"creatine_phosphate","bmse000079",1,177.5977,1.69
"creatine_phosphate","bmse000079",2,56.5658,12.5
"creatine_phosphate","bmse000079",3,39.5149,7.02
"dehydro_proline","bmse000080",1,174.9837,1.15
"dehydro_proline","bmse000080",2,128.3998,11.9
"dehydro_proline","bmse000080",3,128.1163,10.28
"dehydro_proline","bmse000080",4,71.129,8.12
"dehydro_proline","bmse000080",5,55.1054,12.5
"D_3_phosphoglyceric_acid","bmse000007",1,181.5589,4.18
"D_3_phosphoglyceric_acid","bmse000007",2,75.6758,11.64
"D_3_phosphoglyceric_acid","bmse000007",3,75.5997,9.71
"D_3_phosphoglyceric_acid","bmse000007",4,69.5144,10.45
"D_3_phosphoglyceric_acid","bmse000007",5,69.4639,12.5
"D_fructose_1_6_bisphosphate","bmse000011",1,107.7441,1.24
"D_fructose_1_6_bisphosphate","bmse000011",2,107.6859,1.45
"D_fructose_1_6_bisphosphate","bmse000011",3,103.7998,2.79
"D_fructose_1_6_bisphosphate","bmse000011",4,103.7169,2.58
"D_fructose_1_6_bisphosphate","bmse000011",5,84.7524,1.84
"D_fructose_1_6_bisphosphate","bmse000011",6,84.6734,1.8
"D_fructose_1_6_bisphosphate","bmse000011",7,84.1618,3.88
"D_fructose_1_6_bisphosphate","bmse000011",8,82.4331,4.33
"D_fructose_1_6_bisphosphate","bmse000011",9,82.3517,4.54
"D_fructose_1_6_bisphosphate","bmse000011",10,79.436,3.58
"D_fructose_1_6_bisphosphate","bmse000011",11,78.4857,12.5
"D_fructose_1_6_bisphosphate","bmse000011",12,76.8309,8.44
"D_fructose_1_6_bisphosphate","bmse000011",13,68.3534,4.96
"D_fructose_1_6_bisphosphate","bmse000011",14,67.3714,1.78
"D_fructose_1_6_bisphosphate","bmse000011",15,67.0519,6.07
"D_fructose_1_6_bisphosphate","bmse000011",16,67.0078,5.96
"D_fructose_1_6_bisphosphate","bmse000011",17,66.9036,2.2
"D_fructose_1_6_bisphosphate","bmse000011",18,66.8591,2.2
"D_fructose_6_phosphate","bmse000012",1,107.1352,1.18
"D_fructose_6_phosphate","bmse000012",2,104.1799,5.96
"D_fructose_6_phosphate","bmse000012",3,84.4579,2.69
"D_fructose_6_phosphate","bmse000012",4,83.1582,1.38
"D_fructose_6_phosphate","bmse000012",5,83.081,1.12
"D_fructose_6_phosphate","bmse000012",6,82.6592,6.1
"D_fructose_6_phosphate","bmse000012",7,82.5783,5.8
"D_fructose_6_phosphate","bmse000012",8,78.536,2.85
"D_fructose_6_phosphate","bmse000012",9,77.8697,12.5
"D_fructose_6_phosphate","bmse000012",10,77.0604,11.73
"D_fructose_6_phosphate","bmse000012",11,67.0498,5.65
"D_fructose_6_phosphate","bmse000012",12,67.0041,5.36
"D_fructose_6_phosphate","bmse000012",13,66.1661,1.42
"D_fructose_6_phosphate","bmse000012",14,65.5593,2.38
"D_fructose_6_phosphate","bmse000012",15,65.331,9.82
"D_glucosamine","bmse000014",1,96.4205,8.72
"D_glucosamine","bmse000014",2,92.2506,9.77
"D_glucosamine","bmse000014",3,78.8513,9.64
"D_glucosamine","bmse000014",4,75.5831,6.35
"D_glucosamine","bmse000014",5,74.3295,12.27
"D_glucosamine","bmse000014",6,72.756,10.13
"D_glucosamine","bmse000014",7,72.4003,6.63
"D_glucosamine","bmse000014",8,72.3164,12.5
"D_glucosamine","bmse000014",9,63.2588,6.09
"D_glucosamine","bmse000014",10,63.0618,8.38
"D_glucosamine","bmse000014",11,59.6201,8.02
"D_glucosamine","bmse000014",12,57.0959,11.82
"D_glucose_6_phosphate","bmse000016",1,98.7788,8.55
"D_glucose_6_phosphate","bmse000016",2,94.9276,4.89
"D_glucose_6_phosphate","bmse000016",3,78.1764,4.82
"D_glucose_6_phosphate","bmse000016",4,78.106,3.56
"D_glucose_6_phosphate","bmse000016",5,77.9455,6.69
"D_glucose_6_phosphate","bmse000016",6,76.9831,9.41
"D_glucose_6_phosphate","bmse000016",7,75.0341,3.92
"D_glucose_6_phosphate","bmse000016",8,74.314,4.27
"D_glucose_6_phosphate","bmse000016",9,73.8171,2.12
"D_glucose_6_phosphate","bmse000016",10,73.7484,2.83
"D_glucose_6_phosphate","bmse000016",11,71.7635,12.5
"D_glucose_6_phosphate","bmse000016",12,65.5737,3.84
"D_glucose_6_phosphate","bmse000016",13,65.5308,3.24
"D_glucose_6_phosphate","bmse000016",14,65.4799,2.31
"D_maltose","bmse000017",1,102.3099,6.16
"D_maltose","bmse000017",2,102.2275,9.38
"D_maltose","bmse000017",3,98.4704,10.34
"D_maltose","bmse000017",4,94.5912,6.33
"D_maltose","bmse000017",5,79.5285,5.17
"D_maltose","bmse000017",6,79.3217,8.47
"D_maltose","bmse000017",7,78.9276,9.15
"D_maltose","bmse000017",8,77.2648,10.83
"D_maltose","bmse000017",9,76.7045,8.61
"D_maltose","bmse000017",10,75.9471,5.48
"D_maltose","bmse000017",11,75.5584,7.84
"D_maltose","bmse000017",12,75.5345,10.55
"D_maltose","bmse000017",13,75.3859,9.92
"D_maltose","bmse000017",14,74.4492,5.89
"D_maltose","bmse000017",15,74.3558,8.17
"D_maltose","bmse000017",16,73.9924,5.77
"D_maltose","bmse000017",17,72.6486,6.16
"D_maltose","bmse000017",18,72.0198,8.44
"D_maltose","bmse000017",19,63.4361,6.09
"D_maltose","bmse000017",20,63.2871,4.41
"D_maltose","bmse000017",21,63.1596,12.5
"D_ornithine","bmse000019",1,56.8208,12.5
"D_ornithine","bmse000019",2,41.5722,10.12
"D_ornithine","bmse000019",3,30.1825,12.11
"D_ornithine","bmse000019",4,25.4604,8.77
"D_threo_isocitric_acid","bmse000025",1,183.683,6.79
"D_threo_isocitric_acid","bmse000025",2,182.958,3.11
"D_threo_isocitric_acid","bmse000025",3,76.3916,11.16
"D_threo_isocitric_acid","bmse000025",4,51.8047,12.5
"D_threo_isocitric_acid","bmse000025",5,40.3285,10.98
"D_xylulose","bmse000027",1,108.4502,1.01
"D_xylulose","bmse000027",2,105.6511,3.08
"D_xylulose","bmse000027",3,83.18,3.1
"D_xylulose","bmse000027",4,78.9065,11.61
"D_xylulose","bmse000027",5,78.5426,3.96
"D_xylulose","bmse000027",6,78.011,2.93
"D_xylulose","bmse000027",7,77.5565,9.89
"D_xylulose","bmse000027",8,74.6749,2.45
"D_xylulose","bmse000027",9,74.6163,2.47
"D_xylulose","bmse000027",10,72.5201,10.76
"D_xylulose","bmse000027",11,68.7345,3.03
"D_xylulose","bmse000027",12,65.6799,12.5
"D_xylulose","bmse000027",13,65.1062,3.07
"D_xylulose","bmse000027",14,64.5556,3.06
"fumaric_acid","bmse000083",1,177.424,1.91
"fumaric_acid","bmse000083",2,138.042,12.5
"gluconic_acid","bmse000084",1,181.3386,1.89
"gluconic_acid","bmse000084",2,76.7743,10.33
"gluconic_acid","bmse000084",3,75.2613,9.8
"gluconic_acid","bmse000084",4,73.8705,12.36
"gluconic_acid","bmse000084",5,73.6525,10.2
"gluconic_acid","bmse000084",6,65.308,12.5
"alpha_D_glucose_1_phosphate","bmse000086",1,96.3867,5.99
"alpha_D_glucose_1_phosphate","bmse000086",2,96.3335,6.2
"alpha_D_glucose_1_phosphate","bmse000086",3,75.8391,10.34
"alpha_D_glucose_1_phosphate","bmse000086",4,74.9392,5.94
"alpha_D_glucose_1_phosphate","bmse000086",5,74.871,6.51
"alpha_D_glucose_1_phosphate","bmse000086",6,74.7037,12.5
"alpha_D_glucose_1_phosphate","bmse000086",7,72.4482,11.49
"alpha_D_glucose_1_phosphate","bmse000086",8,63.3999,9.58
"alpha_D_glucose_1_6_bisphosphate","bmse000087",1,96.6014,6.13
"alpha_D_glucose_1_6_bisphosphate","bmse000087",2,96.5465,7.96
"alpha_D_glucose_1_6_bisphosphate","bmse000087",3,75.3449,11.03
"alpha_D_glucose_1_6_bisphosphate","bmse000087",4,75.0612,6.57
"alpha_D_glucose_1_6_bisphosphate","bmse000087",5,74.9873,7.68
"alpha_D_glucose_1_6_bisphosphate","bmse000087",6,74.3802,6.65
"alpha_D_glucose_1_6_bisphosphate","bmse000087",7,74.317,7.4
"alpha_D_glucose_1_6_bisphosphate","bmse000087",8,71.5781,12.5
"alpha_D_glucose_1_6_bisphosphate","bmse000087",9,65.3993,4.84
"alpha_D_glucose_1_6_bisphosphate","bmse000087",10,65.3536,5.06
"glycine","bmse000089",1,175.1557,1.97
"glycine","bmse000089",2,44.1252,12.5
"guanine","bmse000090",1,170.3632,9.04
"guanine","bmse000090",2,163.6535,12.5
"guanine","bmse000090",3,161.8796,11.9
"guanine","bmse000090",4,120.9619,9.12
"guanosine","bmse000091",1,170.5025,1.71
"guanosine","bmse000091",2,163.3657,1.47
"guanosine","bmse000091",3,153.5645,2.67
"guanosine","bmse000091",4,139.3656,9.14
"guanosine","bmse000091",5,121.0084,1.46
"guanosine","bmse000091",6,90.841,11.95
"guanosine","bmse000091",7,88.5938,12.21
"guanosine","bmse000091",8,75.8197,12.21
"guanosine","bmse000091",9,73.7609,12.5
"guanosine","bmse000091",10,64.5009,9.96
"4_hydroxybenzoic_acid","bmse000092",1,161.2131,1.26
"4_hydroxybenzoic_acid","bmse000092",2,133.942,12.5
"4_hydroxybenzoic_acid","bmse000092",3,130.8287,1.62
"4_hydroxybenzoic_acid","bmse000092",4,117.592,10.22
"trans_3_hydroxycinnamic_acid","bmse000093",1,178.4192,2.27
"trans_3_hydroxycinnamic_acid","bmse000093",2,158.5422,3.6
"trans_3_hydroxycinnamic_acid","bmse000093",3,143.1901,8.95
"trans_3_hydroxycinnamic_acid","bmse000093",4,139.6042,3.48
"trans_3_hydroxycinnamic_acid","bmse000093",5,133.0298,11.46
"trans_3_hydroxycinnamic_acid","bmse000093",6,127.174,8.41
"trans_3_hydroxycinnamic_acid","bmse000093",7,122.9365,12.5
"trans_3_hydroxycinnamic_acid","bmse000093",8,119.3249,10.36
"trans_3_hydroxycinnamic_acid","bmse000093",9,116.6163,10.36
"hypoxanthine","bmse000094",1,164.9523,1.17
"hypoxanthine","bmse000094",2,159.7264,2.08
"hypoxanthine","bmse000094",3,150.37,10.69
"hypoxanthine","bmse000094",4,149.1756,12.5
"hypoxanthine","bmse000094",5,123.2364,1.06
"imidazole","bmse000096",1,137.7708,3.03
"imidazole","bmse000096",2,123.4233,12.5
"indole","bmse000097",1,138.3981,1.25
"indole","bmse000097",2,130.4755,1.24
"indole","bmse000097",3,126.7831,8.65
"indole","bmse000097",4,124.6229,12.5
"indole","bmse000097",5,123.3758,10.66
"indole","bmse000097",6,122.4493,10.48
"indole","bmse000097",7,113.6756,9.74
"indole","bmse000097",8,105.2378,11.58
"inosine","bmse000098",1,151.078,2.3
"inosine","bmse000098",2,148.9185,8.98
"inosine","bmse000098",3,142.8874,7.4
"inosine","bmse000098",4,126.8411,1.65
"inosine","bmse000098",5,91.1086,8.08
"inosine","bmse000098",6,88.2694,11.43
"inosine","bmse000098",7,76.7759,12.5
"inosine","bmse000098",8,73.0828,10.32
"inosine","bmse000098",9,64.0173,8.72
"i_erythritol","bmse000095",1,74.6148,12.5
"i_erythritol","bmse000095",2,65.3077,8.45
"L_alanine","bmse000028",1,178.5574,1.16
"L_alanine","bmse000028",2,53.2035,9.48
"L_alanine","bmse000028",3,18.8465,12.5
"L_arginine","bmse000029",1,177.2125,3.21
"L_arginine","bmse000029",2,57.0216,10.14
"L_arginine","bmse000029",3,43.2011,12.5
"L_arginine","bmse000029",4,30.2885,11.19
"L_arginine","bmse000029",5,26.5758,9.54
"L_asparagine","bmse000030",1,177.1771,1.47
"L_asparagine","bmse000030",2,176.209,1.94
"L_asparagine","bmse000030",3,53.9932,12.5
"L_asparagine","bmse000030",4,37.2983,11.26
"L_aspartic_acid","bmse000031",1,180.297,3.41
"L_aspartic_acid","bmse000031",2,176.9954,2.67
"L_aspartic_acid","bmse000031",3,54.9142,11.68
"L_aspartic_acid","bmse000031",4,39.2604,12.5
"L_citrulline","bmse000032",1,177.3878,3.15
"L_citrulline","bmse000032",2,164.2805,1.25
"L_citrulline","bmse000032",3,57.2048,11.84
"L_citrulline","bmse000032",4,41.9551,1.88
"L_citrulline","bmse000032",5,30.4444,12.5
"L_citrulline","bmse000032",6,27.6682,7.93
"L_cystathionine","bmse000033",1,56.4392,8
"L_cystathionine","bmse000033",2,56.2614,10.81
"L_cystathionine","bmse000033",3,34.8058,9.84
"L_cystathionine","bmse000033",4,32.8913,9.2
"L_cystathionine","bmse000033",5,29.7625,12.5
"L_cysteine","bmse000034",1,58.731,9.48
"L_cysteine","bmse000034",2,27.687,12.5
"L_cystine","bmse000035",1,183.331,3.03
"L_cystine","bmse000035",2,57.5783,12.5
"L_cystine","bmse000035",3,46.0281,10.99
"L_fucose","bmse000036",1,98.936,11.78
"L_fucose","bmse000036",2,94.9206,4.76
"L_fucose","bmse000036",3,75.6252,9.59
"L_fucose","bmse000036",4,74.6014,4.86
"L_fucose","bmse000036",5,74.3627,10.92
"L_fucose","bmse000036",6,74.1543,8.8
"L_fucose","bmse000036",7,73.586,9.85
"L_fucose","bmse000036",8,71.9701,4.6
"L_fucose","bmse000036",9,70.7832,3.67
"L_fucose","bmse000036",10,69.0314,4.4
"L_fucose","bmse000036",11,18.2232,12.5
"L_glutamic_acid","bmse000037",1,184.0438,2.16
"L_glutamic_acid","bmse000037",2,177.297,1.79
"L_glutamic_acid","bmse000037",3,57.3356,12.29
"L_glutamic_acid","bmse000037",4,36.1753,9.58
"L_glutamic_acid","bmse000037",5,29.6742,12.5
"L_glutamine","bmse000038",1,180.3694,1.86
"L_glutamine","bmse000038",2,176.8264,2.47
"L_glutamine","bmse000038",3,56.8326,9.96
"L_glutamine","bmse000038",4,33.528,10.99
"L_glutamine","bmse000038",5,28.9528,12.5
"L_histidine","bmse000039",1,176.6511,1.83
"L_histidine","bmse000039",2,138.9728,9.16
"L_histidine","bmse000039",3,134.6686,2.25
"L_histidine","bmse000039",4,119.5492,8.47
"L_histidine","bmse000039",5,57.4737,12.5
"L_histidine","bmse000039",6,30.7804,11.71
"L_homoserine","bmse000040",1,177.2374,1.7
"L_homoserine","bmse000040",2,61.3363,12.5
"L_homoserine","bmse000040",3,56.0719,8.39
"L_homoserine","bmse000040",4,34.8823,11.17
"L_isoleucine","bmse000041",1,176.9223,1.89
"L_isoleucine","bmse000041",2,62.2493,12.5
"L_isoleucine","bmse000041",3,38.5957,9.56
"L_isoleucine","bmse000041",4,27.1531,12.15
"L_isoleucine","bmse000041",5,17.3893,8.4
"L_isoleucine","bmse000041",6,13.8035,7.76
"L_leucine","bmse000042",1,178.3284,2.9
"L_leucine","bmse000042",2,56.1175,11.06
"L_leucine","bmse000042",3,42.5151,11.41
"L_leucine","bmse000042",4,26.8579,12.5
"L_leucine","bmse000042",5,24.7283,9.43
"L_leucine","bmse000042",6,23.5808,12.45
"L_lysine","bmse000043",1,177.4077,2.58
"L_lysine","bmse000043",2,57.1969,9.77
"L_lysine","bmse000043",3,41.7595,10.04
"L_lysine","bmse000043",4,32.6068,10.59
"L_lysine","bmse000043",5,29.1125,12.5
"L_lysine","bmse000043",6,24.1325,10.95
"malic_acid","bmse000046",1,183.7669,2.25
"malic_acid","bmse000046",2,182.5706,2
"malic_acid","bmse000046",3,73.0495,9.52
"malic_acid","bmse000046",4,45.3174,12.5
"L_methionine","bmse000044",1,177.0256,1.63
"L_methionine","bmse000044",2,56.5949,11.7
"L_methionine","bmse000044",3,32.3948,11.02
"L_methionine","bmse000044",4,31.5117,12.5
"L_methionine","bmse000044",5,16.6207,5.66
"L_phenylalanine","bmse000045",1,137.8245,2.32
"L_phenylalanine","bmse000045",2,132.08,12.5
"L_phenylalanine","bmse000045",3,131.8234,9.6
"L_phenylalanine","bmse000045",4,130.4017,5.37
"L_phenylalanine","bmse000045",5,58.7477,5.25
"L_phenylalanine","bmse000045",6,39.0993,5.55
"L_proline","bmse000047",1,177.4144,1.3
"L_proline","bmse000047",2,63.9229,11.05
"L_proline","bmse000047",3,48.7631,9.32
"L_proline","bmse000047",4,31.6863,12.5
"L_proline","bmse000047",5,26.4548,9.6
"L_serine","bmse000048",1,62.8928,12.5
"L_serine","bmse000048",2,59.0815,8.62
"L_threonine","bmse000049",1,175.6411,1.16
"L_threonine","bmse000049",2,68.6408,12.03
"L_threonine","bmse000049",3,63.1368,12.5
"L_threonine","bmse000049",4,22.1352,12.2
"L_tryptophan","bmse000050",1,177.255,2.71
"L_tryptophan","bmse000050",2,139.0401,1.59
"L_tryptophan","bmse000050",3,129.3512,1.89
"L_tryptophan","bmse000050",4,127.7463,10.84
"L_tryptophan","bmse000050",5,124.8346,12.27
"L_tryptophan","bmse000050",6,122.1638,12.5
"L_tryptophan","bmse000050",7,121.1566,12.38
"L_tryptophan","bmse000050",8,114.6587,10.23
"L_tryptophan","bmse000050",9,110.1782,4.04
"L_tryptophan","bmse000050",10,57.7537,11.28
"L_tryptophan","bmse000050",11,29.1016,11.57
"L_tyrosine","bmse000051",1,184.1279,1.35
"L_tyrosine","bmse000051",2,163.7886,1.13
"L_tyrosine","bmse000051",3,133.3998,10.61
"L_tyrosine","bmse000051",4,128.0459,2.21
"L_tyrosine","bmse000051",5,120.2955,12.5
"L_tyrosine","bmse000051",6,60.0412,5.12
"L_tyrosine","bmse000051",7,41.8233,4.45
"L_valine","bmse000052",1,63.0706,10.1
"L_valine","bmse000052",2,31.7958,11.73
"L_valine","bmse000052",3,20.6547,12.29
"L_valine","bmse000052",4,19.3267,12.5
"D_mannitol","bmse000099",1,73.4901,12.5
"D_mannitol","bmse000099",2,71.9258,8.62
"D_mannitol","bmse000099",3,65.9197,11.81
"meso_erythritol","bmse000100",1,74.6159,12.5
"meso_erythritol","bmse000100",2,65.309,8.37
"methyl_oxobutanoic_acid","bmse000101",1,39.7045,5.48
"methyl_oxobutanoic_acid","bmse000101",2,19.0607,12.5
"muco_inositol","bmse000102",1,75.0137,6.8
"muco_inositol","bmse000102",2,72.8728,12.5
"myo_inositol","bmse000103",1,77.0519,5.9
"myo_inositol","bmse000103",2,75.1054,12.5
"myo_inositol","bmse000103",3,74.8867,4.4
"myo_inositol","bmse000103",4,73.8316,10.8
"NAD","bmse000053",1,167.8653,3.69
"NAD","bmse000053",2,158.0181,4.21
"NAD","bmse000053",3,155.468,8.5
"NAD","bmse000053",4,151.5966,5.8
"NAD","bmse000053",5,148.4441,6.77
"NAD","bmse000053",6,145.0618,5.64
"NAD","bmse000053",7,142.6338,5.11
"NAD","bmse000053",8,142.3914,7.13
"NAD","bmse000053",9,136.3277,6.28
"NAD","bmse000053",10,131.3233,7.72
"NAD","bmse000053",11,121.0165,3.15
"NAD","bmse000053",12,102.7367,9.04
"NAD","bmse000053",13,89.7361,5.45
"NAD","bmse000053",14,89.6488,5.15
"NAD","bmse000053",15,89.3547,10.54
"NAD","bmse000053",16,86.5859,5.25
"NAD","bmse000053",17,86.4979,5.24
"NAD","bmse000053",18,80.3065,12.5
"NAD","bmse000053",19,76.6526,12.24
"NAD","bmse000053",20,73.2929,11.75
"NAD","bmse000053",21,73.0829,11.48
"NAD","bmse000053",22,68.1579,4.36
"NAD","bmse000053",23,68.1059,4.27
"NAD","bmse000053",24,67.6491,4.7
"NAD","bmse000053",25,67.5973,4.24
"NADH","bmse000054",1,175.3474,5.48
"NADH","bmse000054",2,158.1968,4.24
"NADH","bmse000054",3,155.4171,8.83
"NADH","bmse000054",4,151.5844,5.71
"NADH","bmse000054",5,142.3515,6.8
"NADH","bmse000054",6,141.1257,9.71
"NADH","bmse000054",7,126.4094,7.79
"NADH","bmse000054",8,121.2963,4.16
"NADH","bmse000054",9,108.0387,9.52
"NADH","bmse000054",10,102.5371,7.01
"NADH","bmse000054",11,97.7448,9.22
"NADH","bmse000054",12,89.7936,11.06
"NADH","bmse000054",13,86.3582,5.51
"NADH","bmse000054",14,85.0981,5.6
"NADH","bmse000054",15,77.2518,12.23
"NADH","bmse000054",16,73.4643,12.14
"NADH","bmse000054",17,73.2824,12.5
"NADH","bmse000054",18,72.9239,9.04
"NADH","bmse000054",19,68.6321,4.65
"NADH","bmse000054",20,67.8556,4.52
"NADH","bmse000054",21,24.5551,8.23
"NADH","bmse000054",22,19.5029,3.45
"NADPH","bmse000055",1,175.4549,3.91
"NADPH","bmse000055",2,158.2562,4.4
"NADPH","bmse000055",3,155.3726,8.4
"NADPH","bmse000055",4,151.6612,4.78
"NADPH","bmse000055",5,142.7666,6.52
"NADPH","bmse000055",6,141.0746,8.37
"NADPH","bmse000055",7,126.4637,8.6
"NADPH","bmse000055",8,108.0154,8.41
"NADPH","bmse000055",9,102.5834,6.37
"NADPH","bmse000055",10,97.6847,9.4
"NADPH","bmse000055",11,89.5671,4.71
"NADPH","bmse000055",12,89.4832,4.7
"NADPH","bmse000055",13,85.6232,4.52
"NADPH","bmse000055",14,85.136,4.45
"NADPH","bmse000055",15,79.2632,4.94
"NADPH","bmse000055",16,73.4756,12.5
"NADPH","bmse000055",17,73.324,11.5
"NADPH","bmse000055",18,72.7309,8.21
"NADPH","bmse000055",19,68.5416,4.39
"NADPH","bmse000055",20,67.9571,5.25
"NADPH","bmse000055",21,24.6213,6.74
"niacin","bmse000104",1,176.0593,0.88
"niacin","bmse000104",2,153.1473,12.5
"niacin","bmse000104",3,151.7346,9.43
"niacin","bmse000104",4,140.3918,11.16
"niacin","bmse000104",5,135.0395,2.37
"niacin","bmse000104",6,126.6461,10.94
"nicotine","bmse000105",1,152.9553,11.86
"nicotine","bmse000105",2,151.8079,8.39
"nicotine","bmse000105",3,139.9786,11.24
"nicotine","bmse000105",4,132.2848,2.82
"nicotine","bmse000105",5,127.6138,11.08
"nicotine","bmse000105",6,72.3903,8.23
"nicotine","bmse000105",7,58.7754,9.8
"nicotine","bmse000105",8,40.9138,11.41
"nicotine","bmse000105",9,33.0757,8.96
"nicotine","bmse000105",10,24.2203,12.5
"N_acetylneuraminic_acid","bmse000057",1,179.4931,2.99
"N_acetylneuraminic_acid","bmse000057",2,177.4691,5.36
"N_acetylneuraminic_acid","bmse000057",3,99.1066,6.81
"N_acetylneuraminic_acid","bmse000057",4,73.0136,10.35
"N_acetylneuraminic_acid","bmse000057",5,72.9084,11.02
"N_acetylneuraminic_acid","bmse000057",6,71.2583,9.48
"N_acetylneuraminic_acid","bmse000057",7,70.0063,10.08
"N_acetylneuraminic_acid","bmse000057",8,66.0063,10.13
"N_acetylneuraminic_acid","bmse000057",9,54.9693,12.5
"N_acetylneuraminic_acid","bmse000057",10,42.0905,8.84
"N_acetylneuraminic_acid","bmse000057",11,24.8195,11.34
"N_acetyl_D_mannosamine","bmse000056",1,178.4248,1.93
"N_acetyl_D_mannosamine","bmse000056",2,177.4968,2.6
"N_acetyl_D_mannosamine","bmse000056",3,95.8209,8.31
"N_acetyl_D_mannosamine","bmse000056",4,95.688,9.13
"N_acetyl_D_mannosamine","bmse000056",5,79.0399,10.23
"N_acetyl_D_mannosamine","bmse000056",6,74.7525,9.08
"N_acetyl_D_mannosamine","bmse000056",7,74.6939,8.91
"N_acetyl_D_mannosamine","bmse000056",8,71.5593,11.26
"N_acetyl_D_mannosamine","bmse000056",9,69.4618,11.11
"N_acetyl_D_mannosamine","bmse000056",10,69.1894,8.23
"N_acetyl_D_mannosamine","bmse000056",11,63.0714,12.5
"N_acetyl_D_mannosamine","bmse000056",12,56.7834,6.76
"N_acetyl_D_mannosamine","bmse000056",13,55.9143,11.74
"N_acetyl_D_mannosamine","bmse000056",14,24.7467,6.42
"N_acetyl_D_mannosamine","bmse000056",15,24.6103,7.83
"oxalate","bmse000106",1,176.1386,12.5
"O_succinyl_L_homoserine","bmse000058",1,183.8863,2.56
"O_succinyl_L_homoserine","bmse000058",2,178.3647,2.14
"O_succinyl_L_homoserine","bmse000058",3,176.7702,2.64
"O_succinyl_L_homoserine","bmse000058",4,64.4599,9.53
"O_succinyl_L_homoserine","bmse000058",5,55.5165,8.79
"O_succinyl_L_homoserine","bmse000058",6,35.6935,1.47
"O_succinyl_L_homoserine","bmse000058",7,34.6435,11.39
"O_succinyl_L_homoserine","bmse000058",8,33.1998,12.5
"O_succinyl_L_homoserine","bmse000058",9,32.0477,7.9
"phosphoenolpyruvic_acid","bmse000107",1,152.4983,4.37
"phosphoenolpyruvic_acid","bmse000107",2,152.4267,2.42
"phosphoenolpyruvic_acid","bmse000107",3,102.8677,10.91
"phosphoenolpyruvic_acid","bmse000107",4,102.8401,12.5
"prephenic_acid","bmse000108",1,134.012,12.19
"prephenic_acid","bmse000108",2,130.3553,12.5
"prephenic_acid","bmse000108",3,64.0727,7.77
"prephenic_acid","bmse000108",4,51.2462,2.5
"prephenic_acid","bmse000108",5,50.6545,5.86
"putrescine","bmse000109",1,41.551,11.73
"putrescine","bmse000109",2,26.5984,12.5
"pyridoxal","bmse000110",1,161.5671,1.78
"pyridoxal","bmse000110",2,148.0785,2.3
"pyridoxal","bmse000110",3,140.9568,3.28
"pyridoxal","bmse000110",4,139.5279,4.52
"pyridoxal","bmse000110",5,120.0727,6.07
"pyridoxal","bmse000110",6,102.0212,10.48
"pyridoxal","bmse000110",7,72.5072,12.5
"pyridoxal","bmse000110",8,17.5108,7.09
"pyridoxal_5_phosphate","bmse000111",1,198.7901,4.06
"pyridoxal_5_phosphate","bmse000111",2,154.2739,7.56
"pyridoxal_5_phosphate","bmse000111",3,139.0553,2.73
"pyridoxal_5_phosphate","bmse000111",4,138.9802,2.7
"pyridoxal_5_phosphate","bmse000111",5,128.8539,3.48
"pyridoxal_5_phosphate","bmse000111",6,126.7748,3.24
"pyridoxal_5_phosphate","bmse000111",7,91.4524,2.95
"pyridoxal_5_phosphate","bmse000111",8,64.4322,9.86
"pyridoxal_5_phosphate","bmse000111",9,64.3954,7.79
"pyridoxal_5_phosphate","bmse000111",10,18.7125,12.5
"pyridoxal_5_phosphate","bmse000111",11,17.3618,2.26
"pyridoxamine","bmse000130",1,165.5851,1.63
"pyridoxamine","bmse000130",2,148.1236,2.38
"pyridoxamine","bmse000130",3,138.2661,5.06
"pyridoxamine","bmse000130",4,134.7636,2.63
"pyridoxamine","bmse000130",5,126.6506,8.52
"pyridoxamine","bmse000130",6,61.8257,9.73
"pyridoxamine","bmse000130",7,39.2287,12.5
"pyridoxamine","bmse000130",8,18.1093,10.27
"pyridoxamine_5_phosphate","bmse000131",1,165.6996,3.42
"pyridoxamine_5_phosphate","bmse000131",2,147.3396,4.49
"pyridoxamine_5_phosphate","bmse000131",3,137.5932,4.37
"pyridoxamine_5_phosphate","bmse000131",4,137.5201,3.66
"pyridoxamine_5_phosphate","bmse000131",5,135.8735,6.9
"pyridoxamine_5_phosphate","bmse000131",6,125.9833,8.38
"pyridoxamine_5_phosphate","bmse000131",7,64.3374,8.14
"pyridoxamine_5_phosphate","bmse000131",8,64.2962,7.45
"pyridoxamine_5_phosphate","bmse000131",9,38.955,12.5
"pyridoxamine_5_phosphate","bmse000131",10,17.7372,11.91
"scyllo_inositol","bmse000113",1,76.2821,12.5
"shikimic_acid","bmse000114",1,178.0757,1.84
"shikimic_acid","bmse000114",2,138.7121,3.69
"shikimic_acid","bmse000114",3,133.2065,8.63
"shikimic_acid","bmse000114",4,74.7462,8.91
"shikimic_acid","bmse000114",5,69.5201,11.73
"shikimic_acid","bmse000114",6,68.9871,12.5
"shikimic_acid","bmse000114",7,35.3685,8.86
"D_sorbitol","bmse000115",1,75.6364,11.8
"D_sorbitol","bmse000115",2,73.7844,11.91
"D_sorbitol","bmse000115",3,73.6628,11.46
"D_sorbitol","bmse000115",4,72.3478,12.5
"D_sorbitol","bmse000115",5,65.5074,7.86
"D_sorbitol","bmse000115",6,65.1126,9.65
"spermidine","bmse000116",1,49.7685,12.5
"spermidine","bmse000116",2,47.255,9.6
"spermidine","bmse000116",3,41.5152,10.94
"spermidine","bmse000116",4,39.2998,10.61
"spermidine","bmse000116",5,26.64,10.09
"spermidine","bmse000116",6,26.5227,9.51
"spermidine","bmse000116",7,25.4882,11.59
"spermine","bmse000117",1,50.4642,10.16
"spermine","bmse000117",2,48.3361,12.5
"spermine","bmse000117",3,40.6981,12.1
"spermine","bmse000117",4,30.823,7.1
"spermine","bmse000117",5,27.6835,10.97
"succinic_acid","bmse000118",1,185.1648,1.78
"succinic_acid","bmse000118",2,36.8897,12.5
"sucrose","bmse000119",1,106.3887,6.15
"sucrose","bmse000119",2,94.8829,11.39
"sucrose","bmse000119",3,84.0666,11.94
"sucrose","bmse000119",4,79.0967,11.54
"sucrose","bmse000119",5,76.6892,12.13
"sucrose","bmse000119",6,75.2562,11.56
"sucrose","bmse000119",7,75.107,12.4
"sucrose","bmse000119",8,73.7694,11.94
"sucrose","bmse000119",9,71.9114,12.5
"sucrose","bmse000119",10,65.0741,11.11
"sucrose","bmse000119",11,64.0305,10.38
"sucrose","bmse000119",12,62.8059,9.96
"S_adenosyl_L_methionine","bmse000059",1,177.2049,1.06
"S_adenosyl_L_methionine","bmse000059",2,175.5374,3.57
"S_adenosyl_L_methionine","bmse000059",3,158.2573,4.07
"S_adenosyl_L_methionine","bmse000059",4,158.1473,1.23
"S_adenosyl_L_methionine","bmse000059",5,155.5574,8.68
"S_adenosyl_L_methionine","bmse000059",6,155.4871,3.71
"S_adenosyl_L_methionine","bmse000059",7,154.9459,1.28
"S_adenosyl_L_methionine","bmse000059",8,151.4918,1.4
"S_adenosyl_L_methionine","bmse000059",9,151.3094,4.84
"S_adenosyl_L_methionine","bmse000059",10,143.3489,7.53
"S_adenosyl_L_methionine","bmse000059",11,142.6447,2.96
"S_adenosyl_L_methionine","bmse000059",12,121.7408,3.05
"S_adenosyl_L_methionine","bmse000059",13,91.8,12.5
"S_adenosyl_L_methionine","bmse000059",14,90.1262,1.08
"S_adenosyl_L_methionine","bmse000059",15,90.0407,3.67
"S_adenosyl_L_methionine","bmse000059",16,85.9474,3.7
"S_adenosyl_L_methionine","bmse000059",17,81.4782,2.83
"S_adenosyl_L_methionine","bmse000059",18,80.8642,9.06
"S_adenosyl_L_methionine","bmse000059",19,76.1774,4.19
"S_adenosyl_L_methionine","bmse000059",20,75.6933,3.46
"S_adenosyl_L_methionine","bmse000059",21,75.4417,10.55
"S_adenosyl_L_methionine","bmse000059",22,75.2896,11.21
"S_adenosyl_L_methionine","bmse000059",23,75.2102,3.9
"S_adenosyl_L_methionine","bmse000059",24,75.0576,4.66
"S_adenosyl_L_methionine","bmse000059",25,61.3914,4.52
"S_adenosyl_L_methionine","bmse000059",26,60.181,3.6
"S_adenosyl_L_methionine","bmse000059",27,56.1328,4.11
"S_adenosyl_L_methionine","bmse000059",28,55.5398,11.64
"S_adenosyl_L_methionine","bmse000059",29,55.4732,3.85
"S_adenosyl_L_methionine","bmse000059",30,51.6245,1.02
"S_adenosyl_L_methionine","bmse000059",31,47.0027,7.3
"S_adenosyl_L_methionine","bmse000059",32,41.6503,2.53
"S_adenosyl_L_methionine","bmse000059",33,41.5608,8
"S_adenosyl_L_methionine","bmse000059",34,39.296,1.04
"S_adenosyl_L_methionine","bmse000059",35,38.5747,3.27
"S_adenosyl_L_methionine","bmse000059",36,34.9032,4.07
"S_adenosyl_L_methionine","bmse000059",37,28.138,8.12
"S_adenosyl_L_methionine","bmse000059",38,27.9802,2.58
"S_adenosyl_L_methionine","bmse000059",39,26.5384,1.05
"S_adenosyl_L_methionine","bmse000059",40,26.4688,3.89
"S_adenosyl_L_methionine","bmse000059",41,26.1398,11.37
"S_adenosyl_L_methionine","bmse000059",42,19.5416,3.82
"S_adenosyl_L_methionine","bmse000059",43,18.0425,2.93
"taurine","bmse000120",1,50.2124,12.5
"taurine","bmse000120",2,38.0682,11.7
"L_threitol","bmse000121",1,74.3047,12.5
"L_threitol","bmse000121",2,65.3263,12.42
"trans_4_hydroxy_L_proline","bmse000123",1,177.0263,1.29
"trans_4_hydroxy_L_proline","bmse000123",2,72.7686,12.34
"trans_4_hydroxy_L_proline","bmse000123",3,62.5265,8.41
"trans_4_hydroxy_L_proline","bmse000123",4,55.643,12.5
"trans_4_hydroxy_L_proline","bmse000123",5,40.1298,9.82
"trans_cinnamic_acid","bmse000124",1,143.5556,4.31
"trans_cinnamic_acid","bmse000124",2,137.8775,1.34
"trans_cinnamic_acid","bmse000124",3,132.3324,6.15
"trans_cinnamic_acid","bmse000124",4,131.6902,9.94
"trans_cinnamic_acid","bmse000124",5,130.4135,12.5
"trans_cinnamic_acid","bmse000124",6,126.8267,3.92
"D_trehalose","bmse000125",1,95.9171,12.5
"D_trehalose","bmse000125",2,75.2081,11.88
"D_trehalose","bmse000125",3,74.8491,10.1
"D_trehalose","bmse000125",4,73.7422,9.97
"D_trehalose","bmse000125",5,72.3894,11.58
"D_trehalose","bmse000125",6,63.2132,8.55
"uric_acid","bmse000126",1,167.6653,6.04
"uric_acid","bmse000126",2,165.3393,12.5
"uric_acid","bmse000126",3,162.2146,6.72
"uric_acid","bmse000126",4,156.4958,8.87
"uric_acid","bmse000126",5,104.5779,6.55
"xanthine","bmse000127",1,163.3303,1.9
"xanthine","bmse000127",2,161.9958,1.23
"xanthine","bmse000127",3,158.0123,1.54
"xanthine","bmse000127",4,142.7225,12.5
"xanthine","bmse000127",5,116.2503,1.15
"xanthosine","bmse000128",1,163.7475,1.41
"xanthosine","bmse000128",2,162.2764,1.3
"xanthosine","bmse000128",3,155.8547,2.56
"xanthosine","bmse000128",4,140.0607,9.27
"xanthosine","bmse000128",5,118.2068,1.28
"xanthosine","bmse000128",6,90.6608,11.73
"xanthosine","bmse000128",7,88.5324,12.41
"xanthosine","bmse000128",8,75.9737,12.5
"xanthosine","bmse000128",9,73.5577,11.03
"xanthosine","bmse000128",10,64.3556,8.81
"xylitol","bmse000129",1,74.6275,11.33
"xylitol","bmse000129",2,73.4743,6.7
"xylitol","bmse000129",3,65.3143,12.5
"tyramine","bmse000243",1,157.2984,1.41
"tyramine","bmse000243",2,132.9956,12.5
"tyramine","bmse000243",3,131.1649,2.03
"tyramine","bmse000243",4,118.5125,12.18
"tyramine","bmse000243",5,43.4518,5.34
"tyramine","bmse000243",6,34.6329,6.06
"L_carnosine","bmse000246",1,180.2008,3.84
"L_carnosine","bmse000246",2,174.3323,4.86
"L_carnosine","bmse000246",3,137.5197,9.53
"L_carnosine","bmse000246",4,134.6631,4.69
"L_carnosine","bmse000246",5,119.8491,10.48
"L_carnosine","bmse000246",6,57.5784,11.65
"L_carnosine","bmse000246",7,38.3703,11.44
"L_carnosine","bmse000246",8,34.7671,12.5
"L_carnosine","bmse000246",9,30.9947,9.98
"glycolate","bmse000245",1,182.6562,5.25
"glycolate","bmse000245",2,63.9098,12.5
"1_3_dimethylurea","bmse000248",1,29.1399,12.5
"D_glucosamine","bmse000247",1,96.7337,8.51
"D_glucosamine","bmse000247",2,92.4167,12.41
"D_glucosamine","bmse000247",3,78.843,9.89
"D_glucosamine","bmse000247",4,75.8685,8.3
"D_glucosamine","bmse000247",5,74.3489,12.5
"D_glucosamine","bmse000247",6,72.9419,11.22
"D_glucosamine","bmse000247",7,72.4037,9.8
"D_glucosamine","bmse000247",8,72.3301,12.04
"D_glucosamine","bmse000247",9,63.2894,7.62
"D_glucosamine","bmse000247",10,63.0782,11.08
"D_glucosamine","bmse000247",11,59.6847,8.44
"D_glucosamine","bmse000247",12,57.1428,11.73
"isethionic_acid","bmse000242",1,59.6397,12.02
"isethionic_acid","bmse000242",2,55.5295,12.5
"N_N_dimethylglycine","bmse000241",1,62.5717,6.55
"N_N_dimethylglycine","bmse000241",2,46.2286,12.5
"dihydroxyacetone","bmse000144",1,214.7833,3.78
"dihydroxyacetone","bmse000144",2,97.773,1.6
"dihydroxyacetone","bmse000144",3,66.2429,12.5
"N_acetyl_L_glutamine","bmse000145",1,181.3622,2.37
"N_acetyl_L_glutamine","bmse000145",2,181.1277,3.44
"N_acetyl_L_glutamine","bmse000145",3,176.3862,3.32
"N_acetyl_L_glutamine","bmse000145",4,57.3658,12.5
"N_acetyl_L_glutamine","bmse000145",5,34.4405,9.75
"N_acetyl_L_glutamine","bmse000145",6,30.4549,10.18
"N_acetyl_L_glutamine","bmse000145",7,24.6247,9.17
"ADA","bmse000146",1,180.0279,1.66
"ADA","bmse000146",2,60.0622,12.5
"ADA","bmse000146",3,59.955,1.44
"4_aminoantipyrine","bmse000147",1,144.7673,1.72
"4_aminoantipyrine","bmse000147",2,135.763,1.74
"4_aminoantipyrine","bmse000147",3,132.3952,12.5
"4_aminoantipyrine","bmse000147",4,131.8174,5.85
"4_aminoantipyrine","bmse000147",5,129.3212,12.35
"4_aminoantipyrine","bmse000147",6,37.2322,4.81
"4_aminoantipyrine","bmse000147",7,11.7408,4.42
"acetylcarnitine","bmse000142",1,179.354,4.03
"acetylcarnitine","bmse000142",2,175.4615,4.06
"acetylcarnitine","bmse000142",3,70.835,4.53
"acetylcarnitine","bmse000142",4,69.5734,12.5
"acetylcarnitine","bmse000142",5,56.5103,12.2
"acetylcarnitine","bmse000142",6,42.9071,9.73
"acetylcarnitine","bmse000142",7,23.3168,9.11
"5_acetylamido_2_chloroaniline","bmse000143",1,139.2064,3.06
"5_acetylamido_2_chloroaniline","bmse000143",2,132.3826,12.5
"5_acetylamido_2_chloroaniline","bmse000143",3,116.2078,11.5
"5_acetylamido_2_chloroaniline","bmse000143",4,112.9825,11.85
"5_acetylamido_2_chloroaniline","bmse000143",5,25.522,8.76
"uracil","bmse000187",1,170.2202,1.35
"uracil","bmse000187",2,146.2032,10.52
"uracil","bmse000187",3,103.7407,12.5
"cytidine","bmse000190",1,168.8862,2.92
"cytidine","bmse000190",2,160.3399,2.39
"cytidine","bmse000190",3,144.3268,8.93
"cytidine","bmse000190",4,98.9421,9.02
"cytidine","bmse000190",5,92.9764,11.59
"cytidine","bmse000190",6,86.4726,11.93
"cytidine","bmse000190",7,76.6665,12.26
"cytidine","bmse000190",8,71.9801,12.5
"cytidine","bmse000190",9,63.4255,9.89
"propionic_acid","bmse000179",1,187.7472,2.27
"propionic_acid","bmse000179",2,33.4143,12.5
"propionic_acid","bmse000179",3,12.8911,11.53
"cytosine","bmse000180",1,170.1095,1.09
"cytosine","bmse000180",2,145.8461,10.28
"cytosine","bmse000180",3,97.8181,12.5
"3_hydroxybutyrate","bmse000161",1,183.1934,2.18
"3_hydroxybutyrate","bmse000161",2,68.3994,9.53
"3_hydroxybutyrate","bmse000161",3,49.2195,12.5
"3_hydroxybutyrate","bmse000161",4,24.4317,11.28
"sarcosine","bmse000160",1,174.1787,1.69
"sarcosine","bmse000160",2,53.5151,12.5
"sarcosine","bmse000160",3,35.3495,10.56
"beta_alanine","bmse000159",1,181.1398,1.61
"beta_alanine","bmse000159",2,39.2339,9.51
"beta_alanine","bmse000159",3,36.2855,12.5
"uridine","bmse000158",1,169.0394,2.54
"uridine","bmse000158",2,154.4569,2.08
"uridine","bmse000158",3,144.529,8.58
"uridine","bmse000158",4,104.9743,9.81
"uridine","bmse000158",5,92.0363,11.1
"uridine","bmse000158",6,86.9005,11.88
"uridine","bmse000158",7,76.3651,11.81
"uridine","bmse000158",8,72.0985,12.5
"uridine","bmse000158",9,63.4211,9.74
"N_acetyl_L_alanine","bmse000157",1,183.142,2.18
"N_acetyl_L_alanine","bmse000157",2,176.0277,2.41
"N_acetyl_L_alanine","bmse000157",3,53.6895,12.5
"N_acetyl_L_alanine","bmse000157",4,24.5618,8.98
"N_acetyl_L_alanine","bmse000157",5,20.0042,11.11
"trimethyl_phosphonoacetate","bmse000156",1,56.6257,8.02
"trimethyl_phosphonoacetate","bmse000156",2,56.5607,8.02
"trimethyl_phosphonoacetate","bmse000156",3,55.9903,12.5
"creatinine","bmse000155",1,191.713,2.26
"creatinine","bmse000155",2,59.1239,12.5
"creatinine","bmse000155",3,58.8527,2.53
"creatinine","bmse000155",4,58.6295,1.96
"creatinine","bmse000155",5,32.9001,9.73
"4_2_aminoethyl_morpholine","bmse000154",1,68.8872,12.21
"4_2_aminoethyl_morpholine","bmse000154",2,56.9694,6.45
"4_2_aminoethyl_morpholine","bmse000154",3,55.1945,12.5
"4_2_aminoethyl_morpholine","bmse000154",4,38.3707,5.31
"L_methionine_methylsulfonium_iodide","bmse000153",1,176.1278,2.46
"L_methionine_methylsulfonium_iodide","bmse000153",2,55.6328,12.37
"L_methionine_methylsulfonium_iodide","bmse000153",3,42.2714,10.53
"L_methionine_methylsulfonium_iodide","bmse000153",4,28.1127,10.06
"L_methionine_methylsulfonium_iodide","bmse000153",5,27.4753,11.87
"L_methionine_methylsulfonium_iodide","bmse000153",6,27.4428,12.5
"trigonelline","bmse000152",1,170.5429,1.63
"trigonelline","bmse000152",2,148.7294,3.53
"trigonelline","bmse000152",3,148.5432,3.12
"trigonelline","bmse000152",4,147.4509,9.81
"trigonelline","bmse000152",5,139.591,3.58
"trigonelline","bmse000152",6,130.3808,12.5
"trigonelline","bmse000152",7,50.9868,3.8
"L_kynurenine","bmse000172",1,202.7838,4.18
"L_kynurenine","bmse000172",2,176.9655,3.82
"L_kynurenine","bmse000172",3,153.0281,3.8
"L_kynurenine","bmse000172",4,138.3201,10.63
"L_kynurenine","bmse000172",5,134.0077,10.47
"L_kynurenine","bmse000172",6,120.7487,12.5
"L_kynurenine","bmse000172",7,120.1347,3.19
"L_kynurenine","bmse000172",8,119.5469,11.71
"L_kynurenine","bmse000172",9,53.4373,9.6
"L_kynurenine","bmse000172",10,53.3893,1.75
"L_kynurenine","bmse000172",11,41.6724,9.4
"4_hydroxyphenethyl_alcohol","bmse000173",1,156.5231,1.3
"4_hydroxyphenethyl_alcohol","bmse000173",2,133.6531,2.03
"4_hydroxyphenethyl_alcohol","bmse000173",3,133.0108,12.05
"4_hydroxyphenethyl_alcohol","bmse000173",4,118.0973,12.5
"4_hydroxyphenethyl_alcohol","bmse000173",5,65.4628,5.4
"4_hydroxyphenethyl_alcohol","bmse000173",6,39.6054,5.27
"L_glutathione_oxidized","bmse000170",1,179.0431,5.08
"L_glutathione_oxidized","bmse000170",2,177.7295,7.27
"L_glutathione_oxidized","bmse000170",3,176.8436,5.71
"L_glutathione_oxidized","bmse000170",4,174.576,7.14
"L_glutathione_oxidized","bmse000170",5,56.7983,12.5
"L_glutathione_oxidized","bmse000170",6,55.2962,6.93
"L_glutathione_oxidized","bmse000170",7,46.1769,10
"L_glutathione_oxidized","bmse000170",8,41.3939,5.3
"L_glutathione_oxidized","bmse000170",9,34.0976,8.71
"L_glutathione_oxidized","bmse000170",10,28.9834,9.22
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",1,137.9087,2.24
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",2,137.8673,2.37
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",3,131.376,12.5
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",4,131.3613,12.49
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",5,130.699,5.71
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",6,130.6797,5.71
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",7,130.3647,10.88
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",8,130.3201,11.19
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",9,58.3213,5.52
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",10,57.0571,5.41
"2_amino_5_ethyl_1_3_4_thiadiazole","bmse000176",1,168.4472,1.23
"2_amino_5_ethyl_1_3_4_thiadiazole","bmse000176",2,25.8692,12.5
"2_amino_5_ethyl_1_3_4_thiadiazole","bmse000176",3,15.8228,11.49
"indole_3_acetic_acid","bmse000177",1,184.4014,2.14
"indole_3_acetic_acid","bmse000177",2,138.8639,1.78
"indole_3_acetic_acid","bmse000177",3,129.8341,1.84
"indole_3_acetic_acid","bmse000177",4,126.7302,9.37
"indole_3_acetic_acid","bmse000177",5,124.4124,12.5
"indole_3_acetic_acid","bmse000177",6,121.7961,11.6
"indole_3_acetic_acid","bmse000177",7,121.3961,11.96
"indole_3_acetic_acid","bmse000177",8,114.4077,11.75
"indole_3_acetic_acid","bmse000177",9,113.0393,2.26
"indole_3_acetic_acid","bmse000177",10,36.6627,11.8
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",1,177.1121,2.86
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",2,175.8429,2.97
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",3,146.1205,4.91
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",4,142.1751,2.25
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",5,140.3992,5.19
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",6,135.1671,1.17
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",7,128.5755,12.5
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",8,122.2003,7.85
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",9,120.5307,8.5
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",10,26.0734,7.9
"inosine_5_monophosphate","bmse000175",1,161.425,3.75
"inosine_5_monophosphate","bmse000175",2,151.4802,4.81
"inosine_5_monophosphate","bmse000175",3,149.0993,9.26
"inosine_5_monophosphate","bmse000175",4,142.6513,8.28
"inosine_5_monophosphate","bmse000175",5,126.224,3.55
"inosine_5_monophosphate","bmse000175",6,90.0513,11.57
"inosine_5_monophosphate","bmse000175",7,87.5897,6.17
"inosine_5_monophosphate","bmse000175",8,87.5029,6.25
"inosine_5_monophosphate","bmse000175",9,77.4723,12.43
"inosine_5_monophosphate","bmse000175",10,73.3415,12.5
"inosine_5_monophosphate","bmse000175",11,66.1817,4.69
"inosine_5_monophosphate","bmse000175",12,66.1371,4.9
"acetylcholine","bmse000168",1,175.9351,1.7
"acetylcholine","bmse000168",2,67.2352,3.17
"acetylcholine","bmse000168",3,67.2022,3.69
"acetylcholine","bmse000168",4,67.1693,3.21
"acetylcholine","bmse000168",5,61.0489,9.91
"acetylcholine","bmse000168",6,56.5037,10.75
"acetylcholine","bmse000168",7,56.4653,12.5
"acetylcholine","bmse000168",8,56.4269,11.09
"acetylcholine","bmse000168",9,22.907,5.01
"L_selenomethionine","bmse000169",1,177.0007,2.6
"L_selenomethionine","bmse000169",2,57.4374,11.47
"L_selenomethionine","bmse000169",3,33.6291,11.68
"L_selenomethionine","bmse000169",4,21.9577,12.5
"L_selenomethionine","bmse000169",5,5.9908,6.84
"L_carnitine","bmse000211",1,180.7932,2.55
"L_carnitine","bmse000211",2,72.8484,3.55
"L_carnitine","bmse000211",3,72.8194,4.35
"L_carnitine","bmse000211",4,72.7905,3.77
"L_carnitine","bmse000211",5,66.787,9.83
"L_carnitine","bmse000211",6,56.8352,10.16
"L_carnitine","bmse000211",7,56.7971,12.5
"L_carnitine","bmse000211",8,56.7587,10.72
"L_carnitine","bmse000211",9,45.6836,6.68
"2_deoxyguanosine_5_triphosphate","bmse000210",1,161.5994,4.1
"2_deoxyguanosine_5_triphosphate","bmse000210",2,156.5483,6.62
"2_deoxyguanosine_5_triphosphate","bmse000210",3,153.9201,3.76
"2_deoxyguanosine_5_triphosphate","bmse000210",4,140.177,4.97
"2_deoxyguanosine_5_triphosphate","bmse000210",5,118.7094,3.56
"2_deoxyguanosine_5_triphosphate","bmse000210",6,88.3356,4.95
"2_deoxyguanosine_5_triphosphate","bmse000210",7,88.2497,5.03
"2_deoxyguanosine_5_triphosphate","bmse000210",8,86.1217,10.42
"2_deoxyguanosine_5_triphosphate","bmse000210",9,85.9663,1.24
"2_deoxyguanosine_5_triphosphate","bmse000210",10,73.5912,12.5
"2_deoxyguanosine_5_triphosphate","bmse000210",11,73.4257,1.36
"2_deoxyguanosine_5_triphosphate","bmse000210",12,68.0836,4.3
"2_deoxyguanosine_5_triphosphate","bmse000210",13,68.0298,4.01
"2_deoxyguanosine_5_triphosphate","bmse000210",14,60.1564,2.92
"2_deoxyguanosine_5_triphosphate","bmse000210",15,41.4696,9.7
"2_deoxyguanosine_5_triphosphate","bmse000210",16,19.5226,3.19
"L_glutathione_reduced","bmse000185",1,179.0844,3.34
"L_glutathione_reduced","bmse000185",2,177.7381,6.24
"L_glutathione_reduced","bmse000185",3,176.8762,4.09
"L_glutathione_reduced","bmse000185",4,174.517,4.49
"L_glutathione_reduced","bmse000185",5,58.485,9.28
"L_glutathione_reduced","bmse000185",6,56.8252,12.5
"L_glutathione_reduced","bmse000185",7,46.0594,11.98
"L_glutathione_reduced","bmse000185",8,34.0617,10.25
"L_glutathione_reduced","bmse000185",9,28.9279,10.05
"L_glutathione_reduced","bmse000185",10,28.2991,8.79
"L-ascorbate","bmse000182",1,180.3168,1.43
"L-ascorbate","bmse000182",2,178.4832,2.74
"L-ascorbate","bmse000182",3,115.802,1.21
"L-ascorbate","bmse000182",4,81.1004,12.5
"L-ascorbate","bmse000182",5,72.2534,11.82
"L-ascorbate","bmse000182",6,65.2522,10.99
"glycerol","bmse000184",1,74.7687,5.34
"glycerol","bmse000184",2,65.1855,12.5
"succinic_acid","bmse000183",1,185.1723,12.5
"diethyl_oxalacetate","bmse000148",1,175.4103,2.81
"diethyl_oxalacetate","bmse000148",2,174.3091,2.64
"diethyl_oxalacetate","bmse000148",3,173.4326,3.11
"diethyl_oxalacetate","bmse000148",4,168.1048,3.57
"diethyl_oxalacetate","bmse000148",5,163.0751,2.84
"diethyl_oxalacetate","bmse000148",6,107.9727,2.93
"diethyl_oxalacetate","bmse000148",7,66.4032,12.5
"diethyl_oxalacetate","bmse000148",8,64.8073,11.65
"diethyl_oxalacetate","bmse000148",9,63.2252,12.35
"diethyl_oxalacetate","bmse000148",10,60.1425,6.53
"diethyl_oxalacetate","bmse000148",11,19.5054,7.69
"diethyl_oxalacetate","bmse000148",12,16.4349,10.31
"diethyl_oxalacetate","bmse000148",13,16.0264,10.85
"diethyl_oxalacetate","bmse000148",14,15.8307,11.05
"diethyl_oxalacetate","bmse000148",15,8.3719,1.46
"methyl_4_aminobutyrate","bmse000249",1,178.332,2.3
"methyl_4_aminobutyrate","bmse000249",2,55.0318,9.91
"methyl_4_aminobutyrate","bmse000249",3,41.3931,9.31
"methyl_4_aminobutyrate","bmse000249",4,33.2371,12.5
"methyl_4_aminobutyrate","bmse000249",5,24.7364,10.01
"acetic_acid","bmse000191",1,25.9921,12.5
"DL_alpha_glycerol_phosphate","bmse000193",1,74.017,6.6
"DL_alpha_glycerol_phosphate","bmse000193",2,73.9509,6.61
"DL_alpha_glycerol_phosphate","bmse000193",3,67.5764,6.42
"DL_alpha_glycerol_phosphate","bmse000193",4,67.5279,6.33
"DL_alpha_glycerol_phosphate","bmse000193",5,64.9909,12.5
"L_arginine_L_glutamate","bmse000194",1,184.0271,2.62
"L_arginine_L_glutamate","bmse000194",2,177.3004,2.69
"L_arginine_L_glutamate","bmse000194",3,177.2486,3.51
"L_arginine_L_glutamate","bmse000194",4,159.5217,1.58
"L_arginine_L_glutamate","bmse000194",5,57.3276,11.34
"L_arginine_L_glutamate","bmse000194",6,56.9877,12.33
"L_arginine_L_glutamate","bmse000194",7,43.187,10.69
"L_arginine_L_glutamate","bmse000194",8,36.1773,12.5
"L_arginine_L_glutamate","bmse000194",9,30.2821,11.31
"L_arginine_L_glutamate","bmse000194",10,29.6813,11.66
"L_arginine_L_glutamate","bmse000194",11,26.565,9.36
"N_alpha_acetyl_DL_ornithine","bmse000195",1,181.278,2.84
"N_alpha_acetyl_DL_ornithine","bmse000195",2,176.3942,3.3
"N_alpha_acetyl_DL_ornithine","bmse000195",3,57.2647,12.5
"N_alpha_acetyl_DL_ornithine","bmse000195",4,41.7026,11.36
"N_alpha_acetyl_DL_ornithine","bmse000195",5,31.2562,11.58
"N_alpha_acetyl_DL_ornithine","bmse000195",6,26.1175,10.85
"N_alpha_acetyl_DL_ornithine","bmse000195",7,24.6039,9.43
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",1,177.1802,4.22
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",2,100.7816,12.14
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",3,74.3693,12.5
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",4,73.8173,11.87
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",5,72.6604,11.86
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",6,63.2442,9.78
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",7,57.84,10.7
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",8,56.3295,11.36
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",9,24.5939,9.03
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",1,177.4262,6.89
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",2,95.5064,6.59
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",3,95.4519,6.61
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",4,74.8112,12.48
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",5,74.1248,11.53
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",6,72.717,12.5
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",7,63.3991,10.48
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",8,60.1385,1.19
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",9,56.8941,6.31
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",10,56.82,5.92
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",11,24.8547,11.82
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",12,19.5064,1.35
"6_phosphogluconic_acid","bmse000198",1,181.6058,3.57
"6_phosphogluconic_acid","bmse000198",2,76.871,10.24
"6_phosphogluconic_acid","bmse000198",3,74.5728,12.34
"6_phosphogluconic_acid","bmse000198",4,73.5923,12.5
"6_phosphogluconic_acid","bmse000198",5,73.3427,6.13
"6_phosphogluconic_acid","bmse000198",6,73.2817,6
"6_phosphogluconic_acid","bmse000198",7,67.8378,5.3
"6_phosphogluconic_acid","bmse000198",8,67.7897,5.02
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",1,177.4856,7.09
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",2,169.018,6.26
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",3,154.5678,4.71
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",4,144.3458,8.41
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",5,105.3664,9.76
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",6,97.2217,5.52
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",7,97.1586,5.3
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",8,91.2324,10.4
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",9,85.9265,5.45
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",10,85.8356,5.37
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",11,76.5038,12.5
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",12,75.7265,10.47
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",13,73.618,9.4
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",14,72.3363,12.03
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",15,72.1894,10.68
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",16,67.7104,4.06
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",17,67.6547,4.21
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",18,63.011,8.29
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",19,56.4123,4.85
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",20,56.3279,4.86
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",21,24.8017,11.06
"D_glucosamine_6_phosphate","bmse000189",1,96.7641,3.96
"D_glucosamine_6_phosphate","bmse000189",2,92.5468,9.11
"D_glucosamine_6_phosphate","bmse000189",3,78.573,7.72
"D_glucosamine_6_phosphate","bmse000189",4,78.5029,8.09
"D_glucosamine_6_phosphate","bmse000189",5,75.3,3.82
"D_glucosamine_6_phosphate","bmse000189",6,74.241,8.9
"D_glucosamine_6_phosphate","bmse000189",7,74.1735,8.79
"D_glucosamine_6_phosphate","bmse000189",8,72.61,7.6
"D_glucosamine_6_phosphate","bmse000189",9,72.216,8.01
"D_glucosamine_6_phosphate","bmse000189",10,72.0861,11.81
"D_glucosamine_6_phosphate","bmse000189",11,65.6945,5.67
"D_glucosamine_6_phosphate","bmse000189",12,65.5318,8.2
"D_glucosamine_6_phosphate","bmse000189",13,59.9922,8.37
"D_glucosamine_6_phosphate","bmse000189",14,57.442,12.5
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",1,177.6459,3.99
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",2,177.3558,6.21
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",3,97.9785,9.64
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",4,93.8355,12.5
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",5,78.3788,4.55
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",6,78.3082,5
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",7,76.3335,8.77
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",8,74.1312,5.77
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",9,74.0636,5.71
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",10,73.273,9.62
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",11,72.5985,6.43
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",12,72.4066,4.3
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",13,65.8183,6.34
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",14,59.7314,6.92
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",15,57.09,11.32
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",16,25.09,7.17
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",17,24.8284,8.82
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",18,24.6366,2.13
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",19,8.3826,2.3
"formate","bmse000203",1,173.8915,12.5
"HEPES","bmse000202",1,60.8048,5.44
"HEPES","bmse000202",2,58.5772,7.51
"HEPES","bmse000202",3,54.5149,8.11
"HEPES","bmse000202",4,54.0844,12.5
"HEPES","bmse000202",5,52.383,11.07
"HEPES","bmse000202",6,50.0053,7.83
"D_citrulline","bmse000209",1,177.3935,5.6
"D_citrulline","bmse000209",2,164.2858,1.35
"D_citrulline","bmse000209",3,57.1942,10.87
"D_citrulline","bmse000209",4,41.9172,1.9
"D_citrulline","bmse000209",5,30.442,12.5
"D_citrulline","bmse000209",6,27.6603,6.22
"tryptamine","bmse000207",1,139.1467,1.96
"tryptamine","bmse000207",2,129.1548,2.05
"tryptamine","bmse000207",3,127.0515,9.42
"tryptamine","bmse000207",4,124.8771,12.23
"tryptamine","bmse000207",5,122.1292,11.7
"tryptamine","bmse000207",6,121.0332,11.62
"tryptamine","bmse000207",7,114.7782,11.66
"tryptamine","bmse000207",8,111.7871,2.5
"tryptamine","bmse000207",9,42.4461,10.28
"tryptamine","bmse000207",10,25.3872,12.5
"caffeine","bmse000206",1,158.3677,2.3
"caffeine","bmse000206",2,154.8444,2.1
"caffeine","bmse000206",3,150.6943,2.53
"caffeine","bmse000206",4,146.1726,12.5
"caffeine","bmse000206",5,109.992,1.93
"caffeine","bmse000206",6,36.1671,12
"caffeine","bmse000206",7,32.5176,11.72
"caffeine","bmse000206",8,30.6092,12.15
"DL_serine","bmse000222",1,175.1858,1.49
"DL_serine","bmse000222",2,62.8818,12.5
"DL_serine","bmse000222",3,59.0696,9.18
"kanamycin","bmse000201",1,103.0882,11.25
"kanamycin","bmse000201",2,99.3708,11.19
"kanamycin","bmse000201",3,87.4547,11.03
"kanamycin","bmse000201",4,82.3518,10.12
"kanamycin","bmse000201",5,76.1335,11.05
"kanamycin","bmse000201",6,75.2746,11.27
"kanamycin","bmse000201",7,74.8051,11.96
"kanamycin","bmse000201",8,73.8216,11.92
"kanamycin","bmse000201",9,73.7132,12.5
"kanamycin","bmse000201",10,71.3274,11.8
"kanamycin","bmse000201",11,71.2135,10.89
"kanamycin","bmse000201",12,68.4669,11.25
"kanamycin","bmse000201",13,62.5738,8.79
"kanamycin","bmse000201",14,57.6876,10.31
"kanamycin","bmse000201",15,52.8142,10.87
"kanamycin","bmse000201",16,50.8624,10.67
"kanamycin","bmse000201",17,43.1772,9.79
"kanamycin","bmse000201",18,32.4006,6.43
"D_galacturonic_acid","bmse000216",1,178.7328,1.92
"D_galacturonic_acid","bmse000216",2,177.8683,2.95
"D_galacturonic_acid","bmse000216",3,103.6266,1.14
"D_galacturonic_acid","bmse000216",4,98.6973,11.64
"D_galacturonic_acid","bmse000216",5,94.8821,8.1
"D_galacturonic_acid","bmse000216",6,86.1096,1.16
"D_galacturonic_acid","bmse000216",7,83.8927,1.25
"D_galacturonic_acid","bmse000216",8,78.2191,12.5
"D_galacturonic_acid","bmse000216",9,75.5921,12.15
"D_galacturonic_acid","bmse000216",10,74.2733,11.54
"D_galacturonic_acid","bmse000216",11,74.0687,8.3
"D_galacturonic_acid","bmse000216",12,73.5175,7.92
"D_galacturonic_acid","bmse000216",13,73.4128,1.2
"D_galacturonic_acid","bmse000216",14,73.0403,11.9
"D_galacturonic_acid","bmse000216",15,72.0425,8.11
"D_galacturonic_acid","bmse000216",16,70.7295,8.19
"melibiose","bmse000215",1,100.9074,4.94
"melibiose","bmse000215",2,100.8624,8.18
"melibiose","bmse000215",3,98.7735,7.77
"melibiose","bmse000215",4,94.8936,4.8
"melibiose","bmse000215",5,78.5818,7.92
"melibiose","bmse000215",6,77.0481,7.86
"melibiose","bmse000215",7,76.7432,7.91
"melibiose","bmse000215",8,75.641,4.51
"melibiose","bmse000215",9,74.115,4.66
"melibiose","bmse000215",10,73.6521,8.63
"melibiose","bmse000215",11,72.7897,4.38
"melibiose","bmse000215",12,72.2675,4.58
"melibiose","bmse000215",13,72.1681,11.13
"melibiose","bmse000215",14,72.1168,8.41
"melibiose","bmse000215",15,71.8969,12.5
"melibiose","bmse000215",16,71.1809,5.01
"melibiose","bmse000215",17,71.1499,8
"melibiose","bmse000215",18,68.5997,3.4
"melibiose","bmse000215",19,68.5048,5.74
"melibiose","bmse000215",20,63.7993,7.48
"raffinose","bmse000221",1,106.4984,12
"raffinose","bmse000221",2,101.1619,11.75
"raffinose","bmse000221",3,94.8107,10.5
"raffinose","bmse000221",4,84.0386,10.37
"raffinose","bmse000221",5,78.9908,10.66
"raffinose","bmse000221",6,76.6708,10.74
"raffinose","bmse000221",7,75.3481,10.62
"raffinose","bmse000221",8,74.0893,10.03
"raffinose","bmse000221",9,73.7298,10.76
"raffinose","bmse000221",10,73.6491,10.76
"raffinose","bmse000221",11,72.1375,11.45
"raffinose","bmse000221",12,72.0811,10.61
"raffinose","bmse000221",13,71.8977,12.5
"raffinose","bmse000221",14,71.1782,10.63
"raffinose","bmse000221",15,68.5609,7.4
"raffinose","bmse000221",16,65.174,9.27
"raffinose","bmse000221",17,64.0591,8.59
"raffinose","bmse000221",18,63.8064,10.78
"phenylacetic_acid","bmse000220",1,140.0132,1.48
"phenylacetic_acid","bmse000220",2,131.8678,12.4
"phenylacetic_acid","bmse000220",3,131.3739,12.5
"phenylacetic_acid","bmse000220",4,129.1624,7.27
"phenylacetic_acid","bmse000220",5,47.1763,7.68
"quinolinic_acid","bmse000219",1,151.0633,4.64
"quinolinic_acid","bmse000219",2,139.9295,12.5
"quinolinic_acid","bmse000219",3,134.2225,1.66
"quinolinic_acid","bmse000219",4,126.3609,1.43
"L_arabinose","bmse000213",1,99.4707,11.84
"L_arabinose","bmse000213",2,95.2773,6.36
"L_arabinose","bmse000213",3,85.6557,1.01
"L_arabinose","bmse000213",4,75.1558,12.46
"L_arabinose","bmse000213",5,74.5445,11.65
"L_arabinose","bmse000213",6,71.3975,5.23
"L_arabinose","bmse000213",7,71.291,6.33
"L_arabinose","bmse000213",8,71.19,12.5
"L_arabinose","bmse000213",9,71.1316,6.46
"L_arabinose","bmse000213",10,69.092,10.76
"L_arabinose","bmse000213",11,65.1629,5.63
"L_arabinose","bmse000213",12,63.7809,1.01
"maleic_acid","bmse000212",1,178.0156,12.5
"maleic_acid","bmse000212",2,138.0455,2.52
"trimethylamine","bmse000224",1,47.3627,12.5
"FAD","bmse000226",1,164.0687,6.03
"FAD","bmse000226",2,160.4644,6.44
"FAD","bmse000226",3,157.4008,5.27
"FAD","bmse000226",4,155.0401,6.79
"FAD","bmse000226",5,153.2024,6.31
"FAD","bmse000226",6,152.7018,4.88
"FAD","bmse000226",7,150.7506,8.42
"FAD","bmse000226",8,141.8033,9.25
"FAD","bmse000226",9,137.3022,7.38
"FAD","bmse000226",10,136.7199,6.9
"FAD","bmse000226",11,134.1126,5.24
"FAD","bmse000226",12,133.1145,6.31
"FAD","bmse000226",13,120.4006,4.97
"FAD","bmse000226",14,119.1392,5.98
"FAD","bmse000226",15,89.8286,8.42
"FAD","bmse000226",16,86.1706,4.9
"FAD","bmse000226",17,77.5902,9.53
"FAD","bmse000226",18,75.1902,7.63
"FAD","bmse000226",19,73.8874,4.74
"FAD","bmse000226",20,72.6742,9.77
"FAD","bmse000226",21,72.0204,7.14
"FAD","bmse000226",22,49.8304,4.6
"FAD","bmse000226",23,23.4503,12.23
"FAD","bmse000226",24,21.3064,12.5
"biotin","bmse000227",1,186.5202,3.08
"biotin","bmse000227",2,168.1155,1.31
"biotin","bmse000227",3,64.7083,11.47
"biotin","bmse000227",4,62.9655,10.94
"biotin","bmse000227",5,58.0656,12.5
"biotin","bmse000227",6,42.4481,10.02
"biotin","bmse000227",7,40.0331,11.31
"biotin","bmse000227",8,30.9897,10.73
"biotin","bmse000227",9,30.4007,10.87
"biotin","bmse000227",10,28.3888,11.03
"L_malic_acid","bmse000238",1,183.7653,2.22
"L_malic_acid","bmse000238",2,182.5621,2.11
"L_malic_acid","bmse000238",3,73.0565,11
"L_malic_acid","bmse000238",4,45.325,12.5
"DL_pipecolic_acid","bmse000237",1,177.3687,2.02
"DL_pipecolic_acid","bmse000237",2,61.7014,10.46
"DL_pipecolic_acid","bmse000237",3,46.3684,11.14
"DL_pipecolic_acid","bmse000237",4,29.2254,12.03
"DL_pipecolic_acid","bmse000237",5,24.5183,12.5
"DL_pipecolic_acid","bmse000237",6,24.2597,11.72
"alpha_naphthoic_acid","bmse000178",1,180.9525,1.22
"alpha_naphthoic_acid","bmse000178",2,140.3164,2.38
"alpha_naphthoic_acid","bmse000178",3,136.0023,3.43
"alpha_naphthoic_acid","bmse000178",4,131.8378,2.83
"alpha_naphthoic_acid","bmse000178",5,131.5775,11.93
"alpha_naphthoic_acid","bmse000178",6,130.9661,12.32
"alpha_naphthoic_acid","bmse000178",7,129.4469,11.78
"alpha_naphthoic_acid","bmse000178",8,128.9278,12.24
"alpha_naphthoic_acid","bmse000178",9,128.3008,11.2
"alpha_naphthoic_acid","bmse000178",10,128.1263,11.47
"alpha_naphthoic_acid","bmse000178",11,126.9179,12.5
"L_lactic_acid","bmse000208",1,185.2568,1.47
"L_lactic_acid","bmse000208",2,71.1986,10.31
"L_lactic_acid","bmse000208",3,22.7605,12.5
"thymidine","bmse000244",1,169.2606,1.96
"thymidine","bmse000244",2,154.4362,2.17
"thymidine","bmse000244",3,140.2111,10.41
"thymidine","bmse000244",4,114.1556,4.85
"thymidine","bmse000244",5,89.1962,12.5
"thymidine","bmse000244",6,87.7135,11.37
"thymidine","bmse000244",7,73.1301,12.1
"thymidine","bmse000244",8,63.8632,10.49
"thymidine","bmse000244",9,41.1957,10.46
"thymidine","bmse000244",10,14.2614,10.1
"citraconic_acid","bmse000199",1,182.5855,1.19
"citraconic_acid","bmse000199",2,177.0006,1.62
"citraconic_acid","bmse000199",3,150.7235,3.14
"citraconic_acid","bmse000199",4,122.9987,12.5
"citraconic_acid","bmse000199",5,23.083,10.26
"homogentisic_acid","bmse000200",1,183.4495,2.25
"homogentisic_acid","bmse000200",2,151.5798,3.49
"homogentisic_acid","bmse000200",3,150.3577,2.71
"homogentisic_acid","bmse000200",4,128.3103,4.07
"homogentisic_acid","bmse000200",5,120.3611,12.12
"homogentisic_acid","bmse000200",6,119.7948,12.5
"homogentisic_acid","bmse000200",7,117.1989,12.11
"homogentisic_acid","bmse000200",8,42.6626,11.69
"isonicotinic_acid","bmse000133",1,152.265,11.27
"isonicotinic_acid","bmse000133",2,143.3482,1.49
"isonicotinic_acid","bmse000133",3,124.3227,12.5
"homovanillic_acid","bmse000132",1,184.0342,2.31
"homovanillic_acid","bmse000132",2,149.9125,2.75
"homovanillic_acid","bmse000132",3,145.8277,2.64
"homovanillic_acid","bmse000132",4,132.7556,4.92
"homovanillic_acid","bmse000132",5,124.6363,12.01
"homovanillic_acid","bmse000132",6,118.1634,12.5
"homovanillic_acid","bmse000132",7,116.1596,11.86
"homovanillic_acid","bmse000132",8,58.5972,11.89
"homovanillic_acid","bmse000132",9,46.5865,11.75
"cyanuric_acid","bmse000135",1,158.7585,12.5
"ethacrynic_acid","bmse000134",1,202.3118,4.43
"ethacrynic_acid","bmse000134",2,177.9826,5
"ethacrynic_acid","bmse000134",3,158.7271,7.04
"ethacrynic_acid","bmse000134",4,152.4416,9.11
"ethacrynic_acid","bmse000134",5,134.6377,7.45
"ethacrynic_acid","bmse000134",6,134.3055,7.14
"ethacrynic_acid","bmse000134",7,133.1034,4.2
"ethacrynic_acid","bmse000134",8,130.6445,11.98
"ethacrynic_acid","bmse000134",9,124.6188,3.16
"ethacrynic_acid","bmse000134",10,113.5528,12.1
"ethacrynic_acid","bmse000134",11,70.3721,12.5
"ethacrynic_acid","bmse000134",12,25.8093,12.14
"ethacrynic_acid","bmse000134",13,14.5372,10.57
"itaconic_acid","bmse000137",1,183.4319,1.66
"itaconic_acid","bmse000137",2,144.4598,3.08
"itaconic_acid","bmse000137",3,124.7498,11.94
"itaconic_acid","bmse000137",4,44.7199,12.5
"amygdalin","bmse000139",1,135.1591,3.04
"amygdalin","bmse000139",2,133.2211,4.82
"amygdalin","bmse000139",3,132.0805,12.5
"amygdalin","bmse000139",4,130.5071,12.26
"amygdalin","bmse000139",5,121.2539,2.79
"amygdalin","bmse000139",6,105.5549,5
"amygdalin","bmse000139",7,104.1485,4.67
"amygdalin","bmse000139",8,78.6035,5.33
"amygdalin","bmse000139",9,78.2945,5.19
"amygdalin","bmse000139",10,78.182,4.9
"amygdalin","bmse000139",11,78.0819,4.95
"amygdalin","bmse000139",12,75.9,5.09
"amygdalin","bmse000139",13,75.4567,4.78
"amygdalin","bmse000139",14,72.369,5.36
"amygdalin","bmse000139",15,71.8621,4.67
"amygdalin","bmse000139",16,71.7644,5.77
"amygdalin","bmse000139",17,70.9831,3.34
"amygdalin","bmse000139",18,63.4233,3.79
"D_cellobiose","bmse000138",1,105.2663,8.21
"D_cellobiose","bmse000138",2,105.2381,5.61
"D_cellobiose","bmse000138",3,98.4528,7.32
"D_cellobiose","bmse000138",4,94.5197,4.61
"D_cellobiose","bmse000138",5,81.4215,4.68
"D_cellobiose","bmse000138",6,81.2838,7.67
"D_cellobiose","bmse000138",7,78.6932,12.12
"D_cellobiose","bmse000138",8,78.1874,12.5
"D_cellobiose","bmse000138",9,77.5013,7.76
"D_cellobiose","bmse000138",10,76.9856,7.78
"D_cellobiose","bmse000138",11,76.5907,7.38
"D_cellobiose","bmse000138",12,75.8703,9.08
"D_cellobiose","bmse000138",13,74.0348,4.8
"D_cellobiose","bmse000138",14,73.925,5.13
"D_cellobiose","bmse000138",15,72.8163,4.72
"D_cellobiose","bmse000138",16,72.1615,6.12
"D_cellobiose","bmse000138",17,72.1439,8.59
"D_cellobiose","bmse000138",18,63.2643,6.56
"D_cellobiose","bmse000138",19,62.74,5.36
"D_cellobiose","bmse000138",20,62.606,3.56
"gamma_D_galactonolactone","bmse000141",1,178.7234,2.86
"gamma_D_galactonolactone","bmse000141",2,82.7298,12.5
"gamma_D_galactonolactone","bmse000141",3,76.4007,12.48
"gamma_D_galactonolactone","bmse000141",4,75.5187,12.19
"gamma_D_galactonolactone","bmse000141",5,74.2346,3.63
"gamma_D_galactonolactone","bmse000141",6,74.0161,3.26
"gamma_D_galactonolactone","bmse000141",7,72.7812,3.45
"gamma_D_galactonolactone","bmse000141",8,72.4324,3.36
"gamma_D_galactonolactone","bmse000141",9,71.5773,12.34
"gamma_D_galactonolactone","bmse000141",10,66.0277,3.07
"gamma_D_galactonolactone","bmse000141",11,64.6899,11.19
"D_glucuronate","bmse000140",1,179.6525,1.52
"D_glucuronate","bmse000140",2,178.6724,2.78
"D_glucuronate","bmse000140",3,98.5755,11.73
"D_glucuronate","bmse000140",4,94.8123,7.69
"D_glucuronate","bmse000140",5,78.959,12.5
"D_glucuronate","bmse000140",6,78.2467,11.99
"D_glucuronate","bmse000140",7,76.6906,11.59
"D_glucuronate","bmse000140",8,75.2591,7.37
"D_glucuronate","bmse000140",9,74.8051,6.93
"D_glucuronate","bmse000140",10,74.5748,8
"D_glucuronate","bmse000140",11,74.5431,12.46
"D_glucuronate","bmse000140",12,73.9985,7.55
"L_gulonolactone","bmse000235",1,180.7006,2.42
"L_gulonolactone","bmse000235",2,84.0626,11.74
"L_gulonolactone","bmse000235",3,76.1965,2.96
"L_gulonolactone","bmse000235",4,75.331,3.02
"L_gulonolactone","bmse000235",5,74.9955,3.01
"L_gulonolactone","bmse000235",6,73.5223,12.5
"L_gulonolactone","bmse000235",7,73.1631,3.21
"L_gulonolactone","bmse000235",8,72.7983,12.19
"L_gulonolactone","bmse000235",9,72.2798,12.42
"L_gulonolactone","bmse000235",10,65.2205,2.74
"L_gulonolactone","bmse000235",11,64.1843,11.09
"glycogen","bmse000232",1,102.5103,8.96
"glycogen","bmse000232",2,79.5505,5.53
"glycogen","bmse000232",3,75.5834,9.32
"glycogen","bmse000232",4,74.2061,12.5
"glycogen","bmse000232",5,72.0454,4.53
"glycogen","bmse000232",6,63.2055,9.29
"melibiose","bmse000233",1,100.9084,5.19
"melibiose","bmse000233",2,100.8632,7.98
"melibiose","bmse000233",3,98.7735,7.66
"melibiose","bmse000233",4,94.8931,4.76
"melibiose","bmse000233",5,78.5818,7.97
"melibiose","bmse000233",6,77.0484,7.73
"melibiose","bmse000233",7,76.7428,7.76
"melibiose","bmse000233",8,75.6402,4.58
"melibiose","bmse000233",9,74.1149,4.63
"melibiose","bmse000233",10,73.6528,8.49
"melibiose","bmse000233",11,72.7893,4.29
"melibiose","bmse000233",12,72.267,4.52
"melibiose","bmse000233",13,72.1674,11.07
"melibiose","bmse000233",14,72.1167,8.55
"melibiose","bmse000233",15,71.8963,12.5
"melibiose","bmse000233",16,71.1803,5.19
"melibiose","bmse000233",17,71.1491,7.83
"melibiose","bmse000233",18,68.5995,3.44
"melibiose","bmse000233",19,68.5046,5.7
"melibiose","bmse000233",20,63.7983,7.42
"D_glucono_1_5_lactone","bmse000230",1,181.2312,2.98
"D_glucono_1_5_lactone","bmse000230",2,76.6877,12.5
"D_glucono_1_5_lactone","bmse000230",3,75.204,12.42
"D_glucono_1_5_lactone","bmse000230",4,73.8622,12.42
"D_glucono_1_5_lactone","bmse000230",5,73.6372,12.42
"D_glucono_1_5_lactone","bmse000230",6,65.3046,10.99
"N_acetyl_D_glucosamine","bmse000231",1,177.4899,2.8
"N_acetyl_D_glucosamine","bmse000231",2,177.2462,4.07
"N_acetyl_D_glucosamine","bmse000231",3,97.6343,8.26
"N_acetyl_D_glucosamine","bmse000231",4,93.5456,12.5
"N_acetyl_D_glucosamine","bmse000231",5,78.6606,9.02
"N_acetyl_D_glucosamine","bmse000231",6,76.5921,8.56
"N_acetyl_D_glucosamine","bmse000231",7,74.2719,12.4
"N_acetyl_D_glucosamine","bmse000231",8,73.3628,12.21
"N_acetyl_D_glucosamine","bmse000231",9,72.7507,12.34
"N_acetyl_D_glucosamine","bmse000231",10,72.5242,8.84
"N_acetyl_D_glucosamine","bmse000231",11,63.4249,7.22
"N_acetyl_D_glucosamine","bmse000231",12,63.2564,10.49
"N_acetyl_D_glucosamine","bmse000231",13,59.3824,8.25
"N_acetyl_D_glucosamine","bmse000231",14,56.8002,11.86
"N_acetyl_D_glucosamine","bmse000231",15,24.8865,6.38
"N_acetyl_D_glucosamine","bmse000231",16,24.609,9.19
"polygalacturonic_acid","bmse000228",1,178.1914,12.5
"polygalacturonic_acid","bmse000228",2,101.6522,9.97
"polygalacturonic_acid","bmse000228",3,80.5569,9.65
"polygalacturonic_acid","bmse000228",4,73.9772,8.45
"polygalacturonic_acid","bmse000228",5,71.4996,8.28
"polygalacturonic_acid","bmse000228",6,70.7598,8.29
"polygalacturonic_acid","bmse000228",7,26.4074,3.65
"D_saccharate","bmse000239",1,181.3679,2.13
"D_saccharate","bmse000239",2,181.237,1.95
"D_saccharate","bmse000239",3,76.4264,11.96
"D_saccharate","bmse000239",4,76.4165,12.5
"D_saccharate","bmse000239",5,76.2846,9.51
"D_saccharate","bmse000239",6,74.3621,9.95
"stachyose","bmse000240",1,106.5168,12.21
"stachyose","bmse000240",2,101.06,8.92
"stachyose","bmse000240",3,100.7169,10.76
"stachyose","bmse000240",4,94.8219,8.89
"stachyose","bmse000240",5,84.0524,9.16
"stachyose","bmse000240",6,78.9976,9.04
"stachyose","bmse000240",7,76.6795,9.2
"stachyose","bmse000240",8,75.4111,9
"stachyose","bmse000240",9,73.9757,8.23
"stachyose","bmse000240",10,73.7006,10.47
"stachyose","bmse000240",11,73.6476,9.63
"stachyose","bmse000240",12,72.1972,12.5
"stachyose","bmse000240",13,72.173,10.25
"stachyose","bmse000240",14,72.0684,10.06
"stachyose","bmse000240",15,72.0362,10.92
"stachyose","bmse000240",16,71.9303,12.49
"stachyose","bmse000240",17,71.5019,8.73
"stachyose","bmse000240",18,71.1393,9.07
"stachyose","bmse000240",19,70.9835,10.63
"stachyose","bmse000240",20,69.1734,6.48
"stachyose","bmse000240",21,68.5201,5.87
"stachyose","bmse000240",22,65.1886,8.65
"stachyose","bmse000240",23,64.0756,7.23
"stachyose","bmse000240",24,63.8499,10.36
"L_tartaric_acid","bmse000167",1,181.2992,12.5
"D_xylonate_cadmium","bmse000166",1,181.2863,3.14
"D_xylonate_cadmium","bmse000166",2,75.334,10.18
"D_xylonate_cadmium","bmse000166",3,75.0844,12.5
"D_xylonate_cadmium","bmse000166",4,65.059,9.59
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",1,177.4252,6.68
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",2,95.4941,6.42
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",3,95.4396,6.74
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",4,74.801,12.35
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",5,74.139,11.43
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",6,72.7232,12.5
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",7,63.4049,10.26
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",8,60.1376,1.31
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",9,56.8998,5.8
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",10,56.8264,6.12
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",11,24.8578,11.78
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",12,19.5062,1.22
"L_ornithine","bmse000162",1,177.052,2.52
"L_ornithine","bmse000162",2,56.8032,12.42
"L_ornithine","bmse000162",3,41.5581,10.67
"L_ornithine","bmse000162",4,30.183,12.5
"L_ornithine","bmse000162",5,25.4674,10.78
"D_alanine","bmse000236",1,178.5839,1.59
"D_alanine","bmse000236",2,53.2011,9.79
"D_alanine","bmse000236",3,18.8519,12.5
"4_nitrophenol","bmse000223",1,130.0111,12.5
"4_nitrophenol","bmse000223",2,129.9947,12.29
"4_nitrophenol","bmse000223",3,120.3011,8.51
"4_nitrophenol","bmse000223",4,120.2591,10.79
"D_L_glyceraldehyde","bmse000225",1,92.4597,11.03
"D_L_glyceraldehyde","bmse000225",2,76.7639,11.48
"D_L_glyceraldehyde","bmse000225",3,64.6759,12.5
"4_hydroxycinnamic_acid","bmse000150",1,178.908,1.38
"4_hydroxycinnamic_acid","bmse000150",2,159.818,1.85
"4_hydroxycinnamic_acid","bmse000150",3,143.5246,4.55
"4_hydroxycinnamic_acid","bmse000150",4,132.2994,11.74
"4_hydroxycinnamic_acid","bmse000150",5,130.1932,2.25
"4_hydroxycinnamic_acid","bmse000150",6,124.1229,4.91
"4_hydroxycinnamic_acid","bmse000150",7,118.5321,12.5
"alpha_D_galactose_1_phosphate","bmse000151",1,96.62,5.96
"alpha_D_galactose_1_phosphate","bmse000151",2,96.566,5.93
"alpha_D_galactose_1_phosphate","bmse000151",3,73.8281,11.4
"alpha_D_galactose_1_phosphate","bmse000151",4,72.304,10.42
"alpha_D_galactose_1_phosphate","bmse000151",5,72.1558,12.5
"alpha_D_galactose_1_phosphate","bmse000151",6,71.7402,5.87
"alpha_D_galactose_1_phosphate","bmse000151",7,71.6737,5.84
"alpha_D_galactose_1_phosphate","bmse000151",8,64.0705,10.09
"dAMP","bmse000250",1,155.0627,3.71
"dAMP","bmse000250",2,142.9366,3.42
"dAMP","bmse000250",3,90.1821,11.54
"dAMP","bmse000250",4,87.3797,7.1
"dAMP","bmse000250",5,74.0139,10.26
"dAMP","bmse000250",6,64.4148,12.5
"dAMP","bmse000250",7,41.7694,7.82
"Oxalosuccinate","bmse000251",1,184.1371,2.15
"Oxalosuccinate","bmse000251",2,172.7664,1.95
"Oxalosuccinate","bmse000251",3,52.8383,1.48
"Oxalosuccinate","bmse000251",4,38.5758,5.93
"Oxalosuccinate","bmse000251",5,38.454,1.48
"Oxalosuccinate","bmse000251",6,38.2644,1.54
"Oxalosuccinate","bmse000251",7,38.0683,1.39
"Oxalosuccinate","bmse000251",8,36.9355,3.83
"Oxalosuccinate","bmse000251",9,35.3007,1.19
"Oxalosuccinate","bmse000251",10,34.9692,1.16
"Oxalosuccinate","bmse000251",11,33.3147,5.48
"Oxalosuccinate","bmse000251",12,33.2611,6.95
"Oxalosuccinate","bmse000251",13,33.2048,12.5
"Oxalosuccinate","bmse000251",14,25.9719,1.99
"Salicylate","bmse000252",1,178.336,1.8
"Salicylate","bmse000252",2,162.3095,1.9
"Salicylate","bmse000252",3,136.7054,12.5
"Salicylate","bmse000252",4,133.2002,11.8
"Salicylate","bmse000252",5,122.0978,11.69
"Salicylate","bmse000252",6,120.713,2.32
"Salicylate","bmse000252",7,119.007,12.31
"dADP","bmse000253",1,158.1421,4.9
"dADP","bmse000253",2,155.3005,9.18
"dADP","bmse000253",3,151.2181,2.23
"dADP","bmse000253",4,142.6258,3.6
"dADP","bmse000253",5,121.1832,1.88
"dADP","bmse000253",6,88.4189,5.03
"dADP","bmse000253",7,88.3329,5.02
"dADP","bmse000253",8,86.1412,10.03
"dADP","bmse000253",9,73.3197,12.5
"dADP","bmse000253",10,67.3652,4.1
"dADP","bmse000253",11,67.3129,3.98
"dADP","bmse000253",12,41.5514,9.81
"D_Fructose_1_phosphate","bmse000254",1,100.8301,3.74
"D_Fructose_1_phosphate","bmse000254",2,100.7578,3.97
"D_Fructose_1_phosphate","bmse000254",3,83.1443,1.21
"D_Fructose_1_phosphate","bmse000254",4,78.79,1.8
"D_Fructose_1_phosphate","bmse000254",5,76.8304,1.21
"D_Fructose_1_phosphate","bmse000254",6,72.0493,12.5
"D_Fructose_1_phosphate","bmse000254",7,71.8351,11.69
"D_Fructose_1_phosphate","bmse000254",8,70.5098,12.35
"D_Fructose_1_phosphate","bmse000254",9,68.9967,5.19
"D_Fructose_1_phosphate","bmse000254",10,68.9492,5.25
"D_Fructose_1_phosphate","bmse000254",11,66.0887,9.73
"D_Fructose_1_phosphate","bmse000254",12,64.969,2.12
"D_Fructose_1_phosphate","bmse000254",13,64.1264,1.29
"ITP","bmse000255",1,161.4399,4.25
"ITP","bmse000255",2,151.5943,2.62
"ITP","bmse000255",3,149.0201,9.65
"ITP","bmse000255",4,142.5226,5.74
"ITP","bmse000255",5,126.3562,2.24
"ITP","bmse000255",6,90.276,1.56
"ITP","bmse000255",7,89.9312,10.81
"ITP","bmse000255",8,86.8306,5.65
"ITP","bmse000255",9,86.7415,5.81
"ITP","bmse000255",10,77.2254,2.18
"ITP","bmse000255",11,77.1273,12.5
"ITP","bmse000255",12,72.8596,11.68
"ITP","bmse000255",13,72.5243,2.14
"ITP","bmse000255",14,67.7479,4.35
"ITP","bmse000255",15,67.695,4.23
"Formaldehyde","bmse000256",1,84.4358,12.5
"FMN","bmse000257",1,163.2526,6.78
"FMN","bmse000257",2,160.3175,7.33
"FMN","bmse000257",3,153.429,6.6
"FMN","bmse000257",4,152.3129,4.11
"FMN","bmse000257",5,142.1584,7.18
"FMN","bmse000257",6,136.6282,6.86
"FMN","bmse000257",7,136.1877,6.82
"FMN","bmse000257",8,134.1083,4
"FMN","bmse000257",9,132.8224,4.98
"FMN","bmse000257",10,119.7064,4.78
"FMN","bmse000257",11,75.2209,6.14
"FMN","bmse000257",12,74.4868,3.9
"FMN","bmse000257",13,74.4237,3.92
"FMN","bmse000257",14,72.0087,6.36
"FMN","bmse000257",15,67.8012,3.52
"FMN","bmse000257",16,50.1474,2.93
"FMN","bmse000257",17,23.466,11.62
"FMN","bmse000257",18,21.3437,12.5
"Glycolaldehyde","bmse000258",1,92.374,9.81
"Glycolaldehyde","bmse000258",2,67.1623,12.5
"4_Hydroxybenzaldehyde","bmse000259",1,197.0798,3.76
"4_Hydroxybenzaldehyde","bmse000259",2,136.1538,9.71
"4_Hydroxybenzaldehyde","bmse000259",3,129.545,1.03
"4_Hydroxybenzaldehyde","bmse000259",4,119.8609,12.5
"Nicotinamide_D_ribonucleotide","bmse000260",1,175.8236,3.35
"Nicotinamide_D_ribonucleotide","bmse000260",2,141.0654,10.52
"Nicotinamide_D_ribonucleotide","bmse000260",3,127.6138,9.12
"Nicotinamide_D_ribonucleotide","bmse000260",4,108.182,10.66
"Nicotinamide_D_ribonucleotide","bmse000260",5,103.4044,6.52
"Nicotinamide_D_ribonucleotide","bmse000260",6,103.1839,1.61
"Nicotinamide_D_ribonucleotide","bmse000260",7,97.6396,11.48
"Nicotinamide_D_ribonucleotide","bmse000260",8,85.9422,6.34
"Nicotinamide_D_ribonucleotide","bmse000260",9,85.8555,6.04
"Nicotinamide_D_ribonucleotide","bmse000260",10,80.4925,1.81
"Nicotinamide_D_ribonucleotide","bmse000260",11,74.2063,1.79
"Nicotinamide_D_ribonucleotide","bmse000260",12,73.4952,12.5
"Nicotinamide_D_ribonucleotide","bmse000260",13,73.3372,12.21
"Nicotinamide_D_ribonucleotide","bmse000260",14,66.7617,5.06
"Nicotinamide_D_ribonucleotide","bmse000260",15,66.7167,4.78
"Nicotinamide_D_ribonucleotide","bmse000260",16,24.6964,9.6
"Acetyl_phosphate","bmse000261",1,175.0096,3.44
"Acetyl_phosphate","bmse000261",2,25.9801,10.24
"Acetyl_phosphate","bmse000261",3,24.7883,12.5
"Acetyl_phosphate","bmse000261",4,24.7425,11.1
"3_4_Hydroxyphenyl_pyruvate","bmse000262",1,157.3242,1.3
"3_4_Hydroxyphenyl_pyruvate","bmse000262",2,133.865,7.91
"3_4_Hydroxyphenyl_pyruvate","bmse000262",3,118.3826,12.5
"3_4_Hydroxyphenyl_pyruvate","bmse000262",4,117.7478,1.45
"NADP","bmse000263",1,167.8496,4.47
"NADP","bmse000263",2,158.1147,5.39
"NADP","bmse000263",3,155.428,9.01
"NADP","bmse000263",4,151.6757,5.76
"NADP","bmse000263",5,148.3745,7.75
"NADP","bmse000263",6,145.0167,6.29
"NADP","bmse000263",7,142.8886,8.29
"NADP","bmse000263",8,142.5477,5.92
"NADP","bmse000263",9,136.304,8.28
"NADP","bmse000263",10,131.3453,8.51
"NADP","bmse000263",11,121.1612,3.82
"NADP","bmse000263",12,102.729,11.11
"NADP","bmse000263",13,89.8221,5.86
"NADP","bmse000263",14,89.7336,5.64
"NADP","bmse000263",15,89.2538,5.26
"NADP","bmse000263",16,89.1719,5.28
"NADP","bmse000263",17,85.7472,5.48
"NADP","bmse000263",18,85.6577,5.52
"NADP","bmse000263",19,80.3221,12.5
"NADP","bmse000263",20,78.7636,5.55
"NADP","bmse000263",21,78.722,5.71
"NADP","bmse000263",22,73.3731,12.23
"NADP","bmse000263",23,72.7335,7.06
"NADP","bmse000263",24,68.2193,4.11
"NADP","bmse000263",25,67.6754,4.43
"NADP","bmse000263",26,57.0544,1.98
"4_Nitrophenyl_phosphate","bmse000264",1,163.0405,1.08
"4_Nitrophenyl_phosphate","bmse000264",2,144.5179,1.04
"4_Nitrophenyl_phosphate","bmse000264",3,128.4131,12.5
"4_Nitrophenyl_phosphate","bmse000264",4,122.6671,7.06
"4_Nitrophenyl_phosphate","bmse000264",5,122.6148,7.04
"4_Nitrocatechol","bmse000265",1,164.1278,1.69
"4_Nitrocatechol","bmse000265",2,148.5107,2.32
"4_Nitrocatechol","bmse000265",3,138.4594,1.3
"4_Nitrocatechol","bmse000265",4,122.9045,11.12
"4_Nitrocatechol","bmse000265",5,118.6529,12.08
"4_Nitrocatechol","bmse000265",6,112.45,12.5
"UDP","bmse000266",1,169.0888,5
"UDP","bmse000266",2,154.545,3.74
"UDP","bmse000266",3,144.5243,8.52
"UDP","bmse000266",4,105.234,10.35
"UDP","bmse000266",5,91.4445,11.2
"UDP","bmse000266",6,85.9024,5.62
"UDP","bmse000266",7,85.8136,5.66
"UDP","bmse000266",8,76.5959,12.5
"UDP","bmse000266",9,71.8259,11.92
"UDP","bmse000266",10,66.8315,4.4
"UDP","bmse000266",11,66.7792,4.54
"Formamide","bmse000267",1,169.4492,12.5
"R_Lactate","bmse000269",1,185.265,2.92
"R_Lactate","bmse000269",2,71.1978,10.49
"R_Lactate","bmse000269",3,22.7641,12.5
"GDP","bmse000270",1,161.6068,4.89
"GDP","bmse000270",2,156.6326,5.27
"GDP","bmse000270",3,154.1538,4.67
"GDP","bmse000270",4,140.2801,1.14
"GDP","bmse000270",5,140.1096,6.84
"GDP","bmse000270",6,118.7579,3.69
"GDP","bmse000270",7,89.8065,11.14
"GDP","bmse000270",8,86.2198,5.66
"GDP","bmse000270",9,86.132,5.77
"GDP","bmse000270",10,76.7534,12.5
"GDP","bmse000270",11,72.5131,12.28
"GDP","bmse000270",12,67.1729,4.45
"GDP","bmse000270",13,67.1215,4.26
"CoA","bmse000271",1,177.6817,2.7
"CoA","bmse000271",2,177.4294,8.2
"CoA","bmse000271",3,176.8233,2.08
"CoA","bmse000271",4,176.7106,6.6
"CoA","bmse000271",5,158.389,5.21
"CoA","bmse000271",6,155.6654,8.04
"CoA","bmse000271",7,155.5753,5.97
"CoA","bmse000271",8,152.1398,5.55
"CoA","bmse000271",9,152.0219,2.76
"CoA","bmse000271",10,142.9347,4.88
"CoA","bmse000271",11,142.6212,6.68
"CoA","bmse000271",12,121.3186,3.76
"CoA","bmse000271",13,89.3885,6.08
"CoA","bmse000271",14,89.1901,9.09
"CoA","bmse000271",15,87.3585,1.54
"CoA","bmse000271",16,87.3087,1.85
"CoA","bmse000271",17,87.2237,1.74
"CoA","bmse000271",18,86.8498,2.3
"CoA","bmse000271",19,86.7595,2.57
"CoA","bmse000271",20,85.3884,1.1
"CoA","bmse000271",21,79.6453,1.28
"CoA","bmse000271",22,79.1396,1.19
"CoA","bmse000271",23,78.2226,1.22
"CoA","bmse000271",24,77.5422,4.25
"CoA","bmse000271",25,77.2177,3.82
"CoA","bmse000271",26,77.1851,3.69
"CoA","bmse000271",27,76.9949,5.4
"CoA","bmse000271",28,76.9604,4.74
"CoA","bmse000271",29,76.7805,9.52
"CoA","bmse000271",30,76.4673,4.19
"CoA","bmse000271",31,76.4236,8.22
"CoA","bmse000271",32,76.3796,5.46
"CoA","bmse000271",33,74.5542,4.24
"CoA","bmse000271",34,74.4922,3.65
"CoA","bmse000271",35,73.328,2.2
"CoA","bmse000271",36,73.2765,1.86
"CoA","bmse000271",37,68.4744,3.83
"CoA","bmse000271",38,68.4222,3.88
"CoA","bmse000271",39,66.6691,2.47
"CoA","bmse000271",40,66.6238,2.86
"CoA","bmse000271",41,45.0428,4.93
"CoA","bmse000271",42,44.9976,11.76
"CoA","bmse000271",43,44.9048,1.18
"CoA","bmse000271",44,41.1259,2.81
"CoA","bmse000271",45,41.0359,6.14
"CoA","bmse000271",46,40.9558,6.01
"CoA","bmse000271",47,40.7593,1.76
"CoA","bmse000271",48,39.1263,1.74
"CoA","bmse000271",49,38.2973,1.72
"CoA","bmse000271",50,38.1621,9.87
"CoA","bmse000271",51,38.0817,9.25
"CoA","bmse000271",52,25.7997,12.5
"CoA","bmse000271",53,24.0869,1.45
"CoA","bmse000271",54,23.9984,3.96
"CoA","bmse000271",55,23.5128,8.93
"CoA","bmse000271",56,22.6789,1.36
"CoA","bmse000271",57,20.9419,3.81
"CoA","bmse000271",58,20.7819,9.63
"CoA","bmse000271",59,20.1012,1.78
"CDP","bmse000272",1,168.8761,4.9
"CDP","bmse000272",2,160.4002,4.39
"CDP","bmse000272",3,144.5698,1.09
"CDP","bmse000272",4,144.266,8.55
"CDP","bmse000272",5,99.3648,1.46
"CDP","bmse000272",6,99.2242,9.38
"CDP","bmse000272",7,92.2295,11.24
"CDP","bmse000272",8,91.8456,1.72
"CDP","bmse000272",9,85.3396,5.74
"CDP","bmse000272",10,85.2502,5.69
"CDP","bmse000272",11,77.0076,12.5
"CDP","bmse000272",12,72.3706,1.47
"CDP","bmse000272",13,71.4858,12.07
"CDP","bmse000272",14,66.6366,4.51
"CDP","bmse000272",15,66.5841,4.41
"D_Aspartate","bmse000273",1,180.3052,2.2
"D_Aspartate","bmse000273",2,177.0122,1.98
"D_Aspartate","bmse000273",3,54.9072,9.91
"D_Aspartate","bmse000273",4,39.2644,12.5
"Thiamin","bmse000274",1,171.726,5.58
"Thiamin","bmse000274",2,164.5163,3.11
"Thiamin","bmse000274",3,159.8969,10.99
"Thiamin","bmse000274",4,145.552,3.59
"Thiamin","bmse000274",5,138.7379,4.97
"Thiamin","bmse000274",6,107.1899,6.29
"Thiamin","bmse000274",7,63.1255,12.5
"Thiamin","bmse000274",8,53.7574,10.69
"Thiamin","bmse000274",9,31.9248,12.41
"Thiamin","bmse000274",10,26.7632,11.25
"Thiamin","bmse000274",11,13.8517,12.02
"D_Fructose_2_6_bisphosphate","bmse000275",1,106.8714,4.79
"D_Fructose_2_6_bisphosphate","bmse000275",2,106.8017,4.74
"D_Fructose_2_6_bisphosphate","bmse000275",3,82.9825,6.41
"D_Fructose_2_6_bisphosphate","bmse000275",4,82.912,6.28
"D_Fructose_2_6_bisphosphate","bmse000275",5,80.0513,6.58
"D_Fructose_2_6_bisphosphate","bmse000275",6,80.0052,6.39
"D_Fructose_2_6_bisphosphate","bmse000275",7,78.0543,12.5
"D_Fructose_2_6_bisphosphate","bmse000275",8,68.3553,5.53
"D_Fructose_2_6_bisphosphate","bmse000275",9,68.3079,5.71
"D_Fructose_2_6_bisphosphate","bmse000275",10,65.2002,7.1
"D_Fructose_2_6_bisphosphate","bmse000275",11,60.1397,1.11
"D_Fructose_2_6_bisphosphate","bmse000275",12,19.51,1.19
"Ethanolamine","bmse000276",1,60.3171,12.5
"Ethanolamine","bmse000276",2,43.9507,8.05
"CTP","bmse000277",1,168.8983,5.15
"CTP","bmse000277",2,160.5208,4.42
"CTP","bmse000277",3,144.2311,8.6
"CTP","bmse000277",4,99.3524,9.52
"CTP","bmse000277",5,91.8085,11.04
"CTP","bmse000277",6,85.501,5.68
"CTP","bmse000277",7,85.4107,5.57
"CTP","bmse000277",8,77.0203,1.35
"CTP","bmse000277",9,76.8989,12.5
"CTP","bmse000277",10,71.7933,11.89
"CTP","bmse000277",11,71.4631,1.06
"CTP","bmse000277",12,67.272,4.2
"CTP","bmse000277",13,67.2177,4.39
"D_Ribulose_5_phosphate","bmse000278",1,103.8241,7.82
"D_Ribulose_5_phosphate","bmse000278",2,98.9771,2.24
"D_Ribulose_5_phosphate","bmse000278",3,85.3023,1.6
"D_Ribulose_5_phosphate","bmse000278",4,84.6704,3.81
"D_Ribulose_5_phosphate","bmse000278",5,84.5875,4.13
"D_Ribulose_5_phosphate","bmse000278",6,78.03,9.99
"D_Ribulose_5_phosphate","bmse000278",7,73.4112,12.5
"D_Ribulose_5_phosphate","bmse000278",8,72.931,3.83
"D_Ribulose_5_phosphate","bmse000278",9,67.3547,5.39
"D_Ribulose_5_phosphate","bmse000278",10,67.3093,5.5
"D_Ribulose_5_phosphate","bmse000278",11,66.4813,2.3
"Urocanate","bmse000279",1,178.6198,2.5
"Urocanate","bmse000279",2,140.3626,11.29
"Urocanate","bmse000279",3,137.0776,2.14
"Urocanate","bmse000279",4,133.668,10.36
"Urocanate","bmse000279",5,124.4849,12.5
"Urocanate","bmse000279",6,123.9802,8.38
"UMP","bmse000280",1,169.0839,4.57
"UMP","bmse000280",2,154.6578,3.41
"UMP","bmse000280",3,144.8275,8.54
"UMP","bmse000280",4,105.3924,10.43
"UMP","bmse000280",5,91.006,11.31
"UMP","bmse000280",6,86.9204,5.97
"UMP","bmse000280",7,86.8326,6.05
"UMP","bmse000280",8,76.6643,12.5
"UMP","bmse000280",9,72.7729,12.16
"UMP","bmse000280",10,65.9126,4.79
"UMP","bmse000280",11,65.8681,4.9
"Nicotinamide","bmse000281",1,154.5266,12.5
"Nicotinamide","bmse000281",2,150.344,11.49
"Nicotinamide","bmse000281",3,139.1539,11.48
"Nicotinamide","bmse000281",4,131.9398,1.76
"Nicotinamide","bmse000281",5,126.9235,10.76
"DL_Alanine","bmse000282",1,178.5738,1.77
"DL_Alanine","bmse000282",2,53.2017,9.6
"DL_Alanine","bmse000282",3,18.85,12.5
"Orotate","bmse000283",1,104.064,12.5
"Benzonitrile","bmse000284",1,136.2019,8.6
"Benzonitrile","bmse000284",2,135.1116,12.5
"Benzonitrile","bmse000284",3,131.8912,12.48
"Choline","bmse000285",1,70.1479,3.39
"Choline","bmse000285",2,70.1177,3.59
"Choline","bmse000285",3,70.0875,3.34
"Choline","bmse000285",4,58.3089,8.06
"Choline","bmse000285",5,56.621,11.8
"Choline","bmse000285",6,56.5813,12.5
"Choline","bmse000285",7,56.542,12.01
"Acetophenone","bmse000286",1,136.8469,7.17
"Acetophenone","bmse000286",2,131.5104,12.5
"Acetophenone","bmse000286",3,131.2516,11.84
"Acetophenone","bmse000286",4,28.9711,3.47
"Pantothenate","bmse000287",1,183.0208,3.24
"Pantothenate","bmse000287",2,177.6531,4.02
"Pantothenate","bmse000287",3,78.4586,12.5
"Pantothenate","bmse000287",4,71.0985,10.81
"Pantothenate","bmse000287",5,41.2778,8.26
"Pantothenate","bmse000287",6,39.3779,10.45
"Pantothenate","bmse000287",7,38.8533,9.94
"Pantothenate","bmse000287",8,23.2349,9.96
"Pantothenate","bmse000287",9,21.8424,10.1
"Pyridoxine","bmse000288",1,163.4259,2.28
"Pyridoxine","bmse000288",2,146.9983,3.52
"Pyridoxine","bmse000288",3,141.4468,3.78
"Pyridoxine","bmse000288",4,138.1842,4.52
"Pyridoxine","bmse000288",5,127.4073,3.84
"Pyridoxine","bmse000288",6,61.4656,12.5
"Pyridoxine","bmse000288",7,58.6687,10.33
"Pyridoxine","bmse000288",8,18.2013,8.23
"S_Adenosyl_L_homocysteine","bmse000289",1,176.8876,4.61
"S_Adenosyl_L_homocysteine","bmse000289",2,158.3878,3.44
"S_Adenosyl_L_homocysteine","bmse000289",3,155.6615,9.39
"S_Adenosyl_L_homocysteine","bmse000289",4,151.6956,3.2
"S_Adenosyl_L_homocysteine","bmse000289",5,142.814,7.91
"S_Adenosyl_L_homocysteine","bmse000289",6,121.5644,2.04
"S_Adenosyl_L_homocysteine","bmse000289",7,90.125,10.63
"S_Adenosyl_L_homocysteine","bmse000289",8,90.0104,2.04
"S_Adenosyl_L_homocysteine","bmse000289",9,86.1029,11.9
"S_Adenosyl_L_homocysteine","bmse000289",10,75.9715,11.38
"S_Adenosyl_L_homocysteine","bmse000289",11,75.0004,12.5
"S_Adenosyl_L_homocysteine","bmse000289",12,56.4364,10.43
"S_Adenosyl_L_homocysteine","bmse000289",13,36.2065,8.4
"S_Adenosyl_L_homocysteine","bmse000289",14,33.1203,8.91
"S_Adenosyl_L_homocysteine","bmse000289",15,30.4627,9.14
"Phenol","bmse000290",1,132.703,11.87
"Phenol","bmse000290",2,123.3534,6.56
"Phenol","bmse000290",3,118.0886,12.5
"Selenomethionine","bmse000291",1,176.8764,2.7
"Selenomethionine","bmse000291",2,57.3265,11.71
"Selenomethionine","bmse000291",3,33.5106,11.73
"Selenomethionine","bmse000291",4,21.8408,12.5
"Selenomethionine","bmse000291",5,5.875,6.96
"UDPglucuronate","bmse000292",1,179.1513,4.63
"UDPglucuronate","bmse000292",2,169.0242,5.14
"UDPglucuronate","bmse000292",3,154.6097,3.93
"UDPglucuronate","bmse000292",4,144.2873,8.42
"UDPglucuronate","bmse000292",5,105.4108,10.1
"UDPglucuronate","bmse000292",6,98.1166,5.83
"UDPglucuronate","bmse000292",7,98.0506,5.78
"UDPglucuronate","bmse000292",8,91.0126,10.69
"UDPglucuronate","bmse000292",9,86.0368,5.52
"UDPglucuronate","bmse000292",10,85.9455,5.68
"UDPglucuronate","bmse000292",11,76.498,12.5
"UDPglucuronate","bmse000292",12,75.7603,10.99
"UDPglucuronate","bmse000292",13,75.2986,10.18
"UDPglucuronate","bmse000292",14,74.5675,11.19
"UDPglucuronate","bmse000292",15,74.1227,5.66
"UDPglucuronate","bmse000292",16,74.0395,5.54
"UDPglucuronate","bmse000292",17,72.367,11.96
"UDPglucuronate","bmse000292",18,67.7081,4.35
"UDPglucuronate","bmse000292",19,67.6532,4.54
"UDPglucuronate","bmse000292",20,60.142,1.01
"UDPglucuronate","bmse000292",21,19.5053,1.3
"Hydroquinone","bmse000293",1,151.6552,1.09
"Hydroquinone","bmse000293",2,119.0705,12.5
"Methanol","bmse000294",1,51.571,12.5
"Methanol","bmse000294",2,8.3835,1.29
"UTP","bmse000295",1,169.0527,4.84
"UTP","bmse000295",2,154.6305,3.56
"UTP","bmse000295",3,144.4685,8.62
"UTP","bmse000295",4,105.3558,9.9
"UTP","bmse000295",5,90.9803,10.91
"UTP","bmse000295",6,86.0794,5.45
"UTP","bmse000295",7,85.9897,5.66
"UTP","bmse000295",8,76.4645,12.5
"UTP","bmse000295",9,72.1667,11.59
"UTP","bmse000295",10,67.5196,4.26
"UTP","bmse000295",11,67.4644,4.32
"UTP","bmse000295",12,60.1427,1.1
"dTMP","bmse000296",1,169.2356,1.23
"dTMP","bmse000296",2,160.5265,1.29
"dTMP","bmse000296",3,154.4333,1.31
"dTMP","bmse000296",4,140.1216,3.35
"dTMP","bmse000296",5,114.2982,2.37
"dTMP","bmse000296",6,88.3382,2.04
"dTMP","bmse000296",7,88.2519,1.87
"dTMP","bmse000296",8,87.8416,3.66
"dTMP","bmse000296",9,73.7576,4.03
"dTMP","bmse000296",10,69.7071,3.43
"dTMP","bmse000296",11,69.6331,3.39
"dTMP","bmse000296",12,68.674,6.88
"dTMP","bmse000296",13,67.0077,1.54
"dTMP","bmse000296",14,66.9519,1.6
"dTMP","bmse000296",15,57.1741,5.62
"dTMP","bmse000296",16,50.7174,6.42
"dTMP","bmse000296",17,47.4494,6.5
"dTMP","bmse000296",18,41.3959,3.4
"dTMP","bmse000296",19,35.6124,12.5
"dTMP","bmse000296",20,27.378,11.97
"dTMP","bmse000296",21,27.3297,7.39
"dTMP","bmse000296",22,14.3887,4.03
"Ethanol","bmse000297",1,60.1347,10.57
"Ethanol","bmse000297",2,19.4922,12.5
"D_Glyceraldehyde","bmse000298",1,92.4619,11.47
"D_Glyceraldehyde","bmse000298",2,76.7643,11.97
"D_Glyceraldehyde","bmse000298",3,67.5383,2.02
"D_Glyceraldehyde","bmse000298",4,64.6757,12.5
"Folate","bmse000299",1,185.1947,10.02
"Folate","bmse000299",2,182.1813,8.33
"Folate","bmse000299",3,171.6618,6.23
"Folate","bmse000299",4,167.4706,1.1
"Folate","bmse000299",5,156.8561,3.58
"Folate","bmse000299",6,154.9662,1.2
"Folate","bmse000299",7,152.4534,5.63
"Folate","bmse000299",8,150.9644,2.57
"Folate","bmse000299",9,150.4027,4.37
"Folate","bmse000299",10,131.6987,1.03
"Folate","bmse000299",11,131.3015,7.38
"Folate","bmse000299",12,129.0129,4.84
"Folate","bmse000299",13,123.0856,5.17
"Folate","bmse000299",14,113.9108,6.41
"Folate","bmse000299",15,58.6333,8.76
"Folate","bmse000299",16,47.4239,2.98
"Folate","bmse000299",17,37.0651,12.5
"Folate","bmse000299",18,31.1742,7.87
"Benzoate","bmse000300",1,138.9121,1.04
"Benzoate","bmse000300",2,133.9731,7.03
"Benzoate","bmse000300",3,131.4957,12.46
"Benzoate","bmse000300",4,131.0181,12.5
"1_3_diaminopropane","bmse000001",1,39.3182,12.5
"1_3_diaminopropane","bmse000001",2,27.6038,6.62
"2_3_diphospho_D_glyceric_acid","bmse000002",1,180.6244,6.14
"2_3_diphospho_D_glyceric_acid","bmse000002",2,77.8926,9.81
"2_3_diphospho_D_glyceric_acid","bmse000002",3,77.8397,8.95
"2_3_diphospho_D_glyceric_acid","bmse000002",4,77.8017,8.58
"2_3_diphospho_D_glyceric_acid","bmse000002",5,77.7593,8.04
"2_3_diphospho_D_glyceric_acid","bmse000002",6,69.2089,12.5
"2_deoxyguanosine","bmse000003",1,140.4376,7.32
"2_deoxyguanosine","bmse000003",2,89.8652,7.61
"2_deoxyguanosine","bmse000003",3,86.6745,9.57
"2_deoxyguanosine","bmse000003",4,73.9059,12.5
"2_deoxyguanosine","bmse000003",5,64.3305,8.45
"2_deoxyguanosine","bmse000003",6,41.3976,8.86
"adenine","bmse000060",1,153.1875,0.8
"adenine","bmse000060",2,151.829,1.02
"adenine","bmse000060",3,147.5748,11.47
"adenine","bmse000060",4,146.3944,12.5
"adenine","bmse000060",5,118.324,0.66
"adenosine","bmse000061",1,155.2065,8.59
"adenosine","bmse000061",2,151.091,3.13
"adenosine","bmse000061",3,143.2708,6.58
"adenosine","bmse000061",4,91.0332,10.74
"adenosine","bmse000061",5,88.5401,11.36
"adenosine","bmse000061",6,76.3929,12.5
"adenosine","bmse000061",7,73.3525,11.01
"adenosine","bmse000061",8,64.2162,10.03
"adenosine","bmse000061",9,133.0864,1.07
"adonitol","bmse000062",1,74.8925,6.76
"adonitol","bmse000062",2,74.8008,11.44
"adonitol","bmse000062",3,65.0705,12.5
"ADP","bmse000004",1,158.1533,6.68
"ADP","bmse000004",2,155.4207,12.01
"ADP","bmse000004",3,151.6456,1.97
"ADP","bmse000004",4,151.5495,1.81
"ADP","bmse000004",5,142.8127,2.95
"ADP","bmse000004",6,142.5832,3.64
"ADP","bmse000004",7,121.1747,1.72
"ADP","bmse000004",8,89.778,10.17
"ADP","bmse000004",9,89.5551,6.01
"ADP","bmse000004",10,87.4621,3.15
"ADP","bmse000004",11,87.3746,3.43
"ADP","bmse000004",12,86.4858,4.81
"ADP","bmse000004",13,86.3979,5.28
"ADP","bmse000004",14,77.2288,6.53
"ADP","bmse000004",15,77.0622,12.5
"ADP","bmse000004",16,73.4056,6.43
"ADP","bmse000004",17,72.6057,12.04
"ADP","bmse000004",18,67.1794,3.82
"ADP","bmse000004",19,67.1297,3.91
"ADP","bmse000004",20,66.2518,2.61
"ADP","bmse000004",21,66.2091,2.71
"agmatine","bmse000063",1,159.5178,1.15
"agmatine","bmse000063",2,43.1542,9.26
"agmatine","bmse000063",3,41.7324,8.53
"agmatine","bmse000063",4,27.7024,11.07
"agmatine","bmse000063",5,26.715,12.5
"D_allose","bmse000008",1,96.1036,10.7
"D_allose","bmse000008",2,95.5286,1.55
"D_allose","bmse000008",3,76.2932,11.82
"D_allose","bmse000008",4,74.3841,1.58
"D_allose","bmse000008",5,73.9304,11.03
"D_allose","bmse000008",6,73.8513,12.02
"D_allose","bmse000008",7,69.7109,1.21
"D_allose","bmse000008",8,69.5516,1.22
"D_allose","bmse000008",9,69.4757,12.5
"D_allose","bmse000008",10,68.7507,2.03
"D_allose","bmse000008",11,63.8517,10.79
"D_allose","bmse000008",12,63.3663,1.24
"D_fructose","bmse000010",1,100.7878,2.8
"D_fructose","bmse000010",2,83.3844,4
"D_fructose","bmse000010",3,78.7409,1.35
"D_fructose","bmse000010",4,78.0833,3.23
"D_fructose","bmse000010",5,77.1431,3.97
"D_fructose","bmse000010",6,72.3808,12.5
"D_fructose","bmse000010",7,71.9017,10.92
"D_fructose","bmse000010",8,70.2559,10.72
"D_fructose","bmse000010",9,66.587,11.06
"D_fructose","bmse000010",10,66.0735,12.1
"D_fructose","bmse000010",11,65.3682,3.85
"D_fructose","bmse000010",12,65.074,4.07
"D_galactose","bmse000013",1,99.1714,10.5
"D_galactose","bmse000013",2,94.9986,5.59
"D_galactose","bmse000013",3,77.8681,12.5
"D_galactose","bmse000013",4,75.5121,11.36
"D_galactose","bmse000013",5,74.5893,11.5
"D_galactose","bmse000013",6,73.1956,6.08
"D_galactose","bmse000013",7,72.0185,5.93
"D_galactose","bmse000013",8,71.879,5.94
"D_galactose","bmse000013",9,71.4595,12.5
"D_galactose","bmse000013",10,71.0589,5.22
"D_galactose","bmse000013",11,63.8951,5.64
"D_galactose","bmse000013",12,63.6909,11.96
"D_glucose","bmse000015",1,98.6177,12.18
"D_glucose","bmse000015",2,94.8017,7.46
"D_glucose","bmse000015",3,78.6602,12.5
"D_glucose","bmse000015",4,78.46,12.38
"D_glucose","bmse000015",5,76.8429,11.94
"D_glucose","bmse000015",6,75.4621,6.95
"D_glucose","bmse000015",7,74.1868,7.96
"D_glucose","bmse000015",8,74.1521,7.85
"D_glucose","bmse000015",9,72.3476,7.59
"D_glucose","bmse000015",10,72.3041,12.25
"D_glucose","bmse000015",11,63.4496,11.55
"D_glucose","bmse000015",12,63.2877,6.43
"D_mannose","bmse000018",1,96.747,10.66
"D_mannose","bmse000018",2,96.3827,5.27
"D_mannose","bmse000018",3,78.8753,4.9
"D_mannose","bmse000018",4,75.7486,5.48
"D_mannose","bmse000018",5,75.1093,11.15
"D_mannose","bmse000018",6,73.9252,5.51
"D_mannose","bmse000018",7,73.3921,10.59
"D_mannose","bmse000018",8,72.9329,10.68
"D_mannose","bmse000018",9,69.5495,10.82
"D_mannose","bmse000018",10,69.3058,5.88
"D_mannose","bmse000018",11,63.666,12.5
"D_psicose","bmse000020",1,105.9793,2.62
"D_psicose","bmse000020",2,101.1482,2.31
"D_psicose","bmse000020",3,85.4184,12.5
"D_psicose","bmse000020",4,77.3405,2.67
"D_psicose","bmse000020",5,74.437,5.54
"D_psicose","bmse000020",6,73.7152,3.61
"D_psicose","bmse000020",7,73.0555,10.59
"D_psicose","bmse000020",8,73.0326,11.16
"D_psicose","bmse000020",9,72.9119,5.49
"D_psicose","bmse000020",10,71.7174,6.08
"D_psicose","bmse000020",11,68.562,7.08
"D_psicose","bmse000020",12,68.1859,7.9
"D_psicose","bmse000020",13,67.7838,6.98
"D_psicose","bmse000020",14,66.8844,6.45
"D_psicose","bmse000020",15,66.6778,4.36
"D_psicose","bmse000020",16,65.9583,9.93
"D_psicose","bmse000020",17,65.7568,6.2
"D_psicose","bmse000020",18,65.5148,3.26
"D_psicose","bmse000020",19,65.0727,3.8
"D_psicose","bmse000020",20,64.029,7.13
"D_psicose","bmse000020",21,60.6736,5.34
"D_sorbose","bmse000022",1,100.4423,2.8
"D_sorbose","bmse000022",2,76.5308,8.63
"D_sorbose","bmse000022",3,73.0506,8.72
"D_sorbose","bmse000022",4,72.1197,12.5
"D_sorbose","bmse000022",5,66.1492,9.88
"D_sorbose","bmse000022",6,64.4696,11
"D_tagatose","bmse000023",1,100.9098,3.49
"D_tagatose","bmse000023",2,73.6229,12.5
"D_tagatose","bmse000023",3,72.484,10.38
"D_tagatose","bmse000023",4,71.9743,2.2
"D_tagatose","bmse000023",5,69.0595,10.53
"D_tagatose","bmse000023",6,66.5918,10.06
"D_tagatose","bmse000023",7,66.403,1.92
"D_tagatose","bmse000023",8,66.1917,1.73
"D_tagatose","bmse000023",9,64.9495,7.98
"D_tagatose","bmse000023",10,62.8345,1.69
"D_xylose","bmse000026",1,99.3304,11.78
"D_xylose","bmse000026",2,94.9405,6.48
"D_xylose","bmse000026",3,78.526,10.11
"D_xylose","bmse000026",4,76.7418,12.5
"D_xylose","bmse000026",5,75.5229,5.77
"D_xylose","bmse000026",6,74.1661,6.42
"D_xylose","bmse000026",7,72.1118,6.54
"D_xylose","bmse000026",8,71.9378,12.28
"D_xylose","bmse000026",9,67.899,10.25
"D_xylose","bmse000026",10,63.6456,5.21
"alpha_ketoglutaric_acid","bmse000064",1,184.1528,2.07
"alpha_ketoglutaric_acid","bmse000064",2,38.5723,12.5
"alpha_ketoglutaric_acid","bmse000064",3,33.3219,9.83
"alpha_lactose","bmse000065",1,105.6382,8.25
"alpha_lactose","bmse000065",2,98.4725,7.33
"alpha_lactose","bmse000065",3,94.539,4.05
"alpha_lactose","bmse000065",4,81.1636,3.89
"alpha_lactose","bmse000065",5,81.0377,6.84
"alpha_lactose","bmse000065",6,78.0734,12.5
"alpha_lactose","bmse000065",7,77.522,7.34
"alpha_lactose","bmse000065",8,77.0808,7.32
"alpha_lactose","bmse000065",9,76.5296,7.28
"alpha_lactose","bmse000065",10,75.2407,11.24
"alpha_lactose","bmse000065",11,74.1286,4.28
"alpha_lactose","bmse000065",12,73.8715,4.75
"alpha_lactose","bmse000065",13,73.6835,9.31
"alpha_lactose","bmse000065",14,72.8271,3.84
"alpha_lactose","bmse000065",15,71.272,8.2
"alpha_lactose","bmse000065",16,63.7524,7.27
"alpha_lactose","bmse000065",17,62.8108,4.95
"alpha_lactose","bmse000065",18,62.6765,3.11
"4_aminobenzoic_acid","bmse000066",1,133.5667,12.5
"4_aminobenzoic_acid","bmse000066",2,128.9442,1.1
"4_aminobenzoic_acid","bmse000066",3,117.8119,11.36
"AMP","bmse000005",1,158.1415,3.52
"AMP","bmse000005",2,155.4083,9.41
"AMP","bmse000005",3,151.6344,4.45
"AMP","bmse000005",4,142.8031,7.78
"AMP","bmse000005",5,121.1486,2.72
"AMP","bmse000005",6,89.5563,11.53
"AMP","bmse000005",7,87.4594,6.04
"AMP","bmse000005",8,87.3722,6.06
"AMP","bmse000005",9,77.2299,12.5
"AMP","bmse000005",10,73.4036,12.24
"AMP","bmse000005",11,66.25,4.83
"AMP","bmse000005",12,66.2055,5.13
"anthranilic_acid","bmse000067",1,150.2702,2.1
"anthranilic_acid","bmse000067",2,134.7227,10.28
"anthranilic_acid","bmse000067",3,133.6538,12.5
"anthranilic_acid","bmse000067",4,123.4956,1.99
"anthranilic_acid","bmse000067",5,120.6937,11.1
"anthranilic_acid","bmse000067",6,120.3926,11.42
"L_arabitol","bmse000068",1,73.609,12.5
"L_arabitol","bmse000068",2,73.1399,11.93
"L_arabitol","bmse000068",3,72.9514,12.49
"L_arabitol","bmse000068",4,65.7296,10.81
"L_arabitol","bmse000068",5,65.6383,9.86
"ATP","bmse000006",1,158.2621,4.05
"ATP","bmse000006",2,155.4997,9.32
"ATP","bmse000006",3,151.7848,3.62
"ATP","bmse000006",4,142.6155,7.12
"ATP","bmse000006",5,121.2616,2.51
"ATP","bmse000006",6,89.3634,10.94
"ATP","bmse000006",7,86.7432,5.75
"ATP","bmse000006",8,86.6543,5.65
"ATP","bmse000006",9,76.9481,12.5
"ATP","bmse000006",10,72.9427,11.75
"ATP","bmse000006",11,67.8017,4.32
"ATP","bmse000006",12,67.7473,4.42
"betaine","bmse000069",1,171.9654,1.21
"betaine","bmse000069",2,68.893,3.07
"betaine","bmse000069",3,68.8587,3.29
"betaine","bmse000069",4,68.8297,3.27
"betaine","bmse000069",5,56.0898,10.14
"betaine","bmse000069",6,56.0509,12.5
"betaine","bmse000069",7,56.0118,10.21
"betaine_aldehyde","bmse000070",1,87.5694,9.74
"betaine_aldehyde","bmse000070",2,56.9587,10.45
"betaine_aldehyde","bmse000070",3,56.9195,12.5
"betaine_aldehyde","bmse000070",4,56.8886,11.17
"cadaverine","bmse000072",1,41.871,11.66
"cadaverine","bmse000072",2,28.9617,12.5
"cadaverine","bmse000072",3,25.3762,5.64
"cAMP","bmse000071",1,158.0318,4.3
"cAMP","bmse000071",2,155.524,10.63
"cAMP","bmse000071",3,150.7719,4.62
"cAMP","bmse000071",4,142.3466,9.68
"cAMP","bmse000071",5,121.2041,3.29
"cAMP","bmse000071",6,94.2109,12.5
"cAMP","bmse000071",7,80.0206,6.2
"cAMP","bmse000071",8,79.9754,6.98
"cAMP","bmse000071",9,75.0214,7.05
"cAMP","bmse000071",10,74.9418,7.25
"cAMP","bmse000071",11,74.463,6.46
"cAMP","bmse000071",12,70.0836,5.58
"cAMP","bmse000071",13,70.0142,5.05
"L_canavanine","bmse000073",1,177.0117,3.9
"L_canavanine","bmse000073",2,161.2671,2
"L_canavanine","bmse000073",3,74.5403,11.99
"L_canavanine","bmse000073",4,55.2855,12.02
"L_canavanine","bmse000073",5,31.809,12.5
"D_carnitine","bmse000074",1,180.7779,2.25
"D_carnitine","bmse000074",2,72.8193,4.47
"D_carnitine","bmse000074",3,72.7942,3.83
"D_carnitine","bmse000074",4,66.791,9.37
"D_carnitine","bmse000074",5,56.8328,10.48
"D_carnitine","bmse000074",6,56.7941,12.5
"D_carnitine","bmse000074",7,56.7554,10.44
"D_carnitine","bmse000074",8,45.6802,6.79
"chorismic_acid","bmse000075",1,155.9825,4.51
"chorismic_acid","bmse000075",2,137.1007,3.63
"chorismic_acid","bmse000075",3,132.6303,11.7
"chorismic_acid","bmse000075",4,131.7674,9.54
"chorismic_acid","bmse000075",5,126.7891,9.9
"chorismic_acid","bmse000075",6,95.5643,8.84
"chorismic_acid","bmse000075",7,82.3153,12.5
"chorismic_acid","bmse000075",8,72.8256,12.45
"citrate","bmse000076",1,184.7215,1.13
"citrate","bmse000076",2,182.0353,2.11
"citrate","bmse000076",3,77.9249,1.44
"citrate","bmse000076",4,48.4023,12.5
"coumarin","bmse000077",1,163.4646,0.72
"coumarin","bmse000077",2,156.7265,1.12
"coumarin","bmse000077",3,146.1206,6.54
"coumarin","bmse000077",4,134.5133,12.5
"coumarin","bmse000077",5,130.5441,8.87
"coumarin","bmse000077",6,127.1083,11.93
"coumarin","bmse000077",7,121.5098,1.08
"coumarin","bmse000077",8,119.5804,6.82
"coumarin","bmse000077",9,119.3784,7.14
"creatine","bmse000078",1,177.3494,1.87
"creatine","bmse000078",2,56.549,12.5
"creatine","bmse000078",3,39.6249,7.16
"creatine_phosphate","bmse000079",1,177.5977,1.69
"creatine_phosphate","bmse000079",2,56.5658,12.5
"creatine_phosphate","bmse000079",3,39.5149,7.02
"dehydro_proline","bmse000080",1,174.9837,1.15
"dehydro_proline","bmse000080",2,128.3998,11.9
"dehydro_proline","bmse000080",3,128.1163,10.28
"dehydro_proline","bmse000080",4,71.129,8.12
"dehydro_proline","bmse000080",5,55.1054,12.5
"D_3_phosphoglyceric_acid","bmse000007",1,181.5589,4.18
"D_3_phosphoglyceric_acid","bmse000007",2,75.6758,11.64
"D_3_phosphoglyceric_acid","bmse000007",3,75.5997,9.71
"D_3_phosphoglyceric_acid","bmse000007",4,69.5144,10.45
"D_3_phosphoglyceric_acid","bmse000007",5,69.4639,12.5
"D_fructose_1_6_bisphosphate","bmse000011",1,107.7441,1.24
"D_fructose_1_6_bisphosphate","bmse000011",2,107.6859,1.45
"D_fructose_1_6_bisphosphate","bmse000011",3,103.7998,2.79
"D_fructose_1_6_bisphosphate","bmse000011",4,103.7169,2.58
"D_fructose_1_6_bisphosphate","bmse000011",5,84.7524,1.84
"D_fructose_1_6_bisphosphate","bmse000011",6,84.6734,1.8
"D_fructose_1_6_bisphosphate","bmse000011",7,84.1618,3.88
"D_fructose_1_6_bisphosphate","bmse000011",8,82.4331,4.33
"D_fructose_1_6_bisphosphate","bmse000011",9,82.3517,4.54
"D_fructose_1_6_bisphosphate","bmse000011",10,79.436,3.58
"D_fructose_1_6_bisphosphate","bmse000011",11,78.4857,12.5
"D_fructose_1_6_bisphosphate","bmse000011",12,76.8309,8.44
"D_fructose_1_6_bisphosphate","bmse000011",13,68.3534,4.96
"D_fructose_1_6_bisphosphate","bmse000011",14,67.3714,1.78
"D_fructose_1_6_bisphosphate","bmse000011",15,67.0519,6.07
"D_fructose_1_6_bisphosphate","bmse000011",16,67.0078,5.96
"D_fructose_1_6_bisphosphate","bmse000011",17,66.9036,2.2
"D_fructose_1_6_bisphosphate","bmse000011",18,66.8591,2.2
"D_fructose_6_phosphate","bmse000012",1,107.1352,1.18
"D_fructose_6_phosphate","bmse000012",2,104.1799,5.96
"D_fructose_6_phosphate","bmse000012",3,84.4579,2.69
"D_fructose_6_phosphate","bmse000012",4,83.1582,1.38
"D_fructose_6_phosphate","bmse000012",5,83.081,1.12
"D_fructose_6_phosphate","bmse000012",6,82.6592,6.1
"D_fructose_6_phosphate","bmse000012",7,82.5783,5.8
"D_fructose_6_phosphate","bmse000012",8,78.536,2.85
"D_fructose_6_phosphate","bmse000012",9,77.8697,12.5
"D_fructose_6_phosphate","bmse000012",10,77.0604,11.73
"D_fructose_6_phosphate","bmse000012",11,67.0498,5.65
"D_fructose_6_phosphate","bmse000012",12,67.0041,5.36
"D_fructose_6_phosphate","bmse000012",13,66.1661,1.42
"D_fructose_6_phosphate","bmse000012",14,65.5593,2.38
"D_fructose_6_phosphate","bmse000012",15,65.331,9.82
"D_glucosamine","bmse000014",1,96.4205,8.72
"D_glucosamine","bmse000014",2,92.2506,9.77
"D_glucosamine","bmse000014",3,78.8513,9.64
"D_glucosamine","bmse000014",4,75.5831,6.35
"D_glucosamine","bmse000014",5,74.3295,12.27
"D_glucosamine","bmse000014",6,72.756,10.13
"D_glucosamine","bmse000014",7,72.4003,6.63
"D_glucosamine","bmse000014",8,72.3164,12.5
"D_glucosamine","bmse000014",9,63.2588,6.09
"D_glucosamine","bmse000014",10,63.0618,8.38
"D_glucosamine","bmse000014",11,59.6201,8.02
"D_glucosamine","bmse000014",12,57.0959,11.82
"D_glucose_6_phosphate","bmse000016",1,98.7788,8.55
"D_glucose_6_phosphate","bmse000016",2,94.9276,4.89
"D_glucose_6_phosphate","bmse000016",3,78.1764,4.82
"D_glucose_6_phosphate","bmse000016",4,78.106,3.56
"D_glucose_6_phosphate","bmse000016",5,77.9455,6.69
"D_glucose_6_phosphate","bmse000016",6,76.9831,9.41
"D_glucose_6_phosphate","bmse000016",7,75.0341,3.92
"D_glucose_6_phosphate","bmse000016",8,74.314,4.27
"D_glucose_6_phosphate","bmse000016",9,73.8171,2.12
"D_glucose_6_phosphate","bmse000016",10,73.7484,2.83
"D_glucose_6_phosphate","bmse000016",11,71.7635,12.5
"D_glucose_6_phosphate","bmse000016",12,65.5737,3.84
"D_glucose_6_phosphate","bmse000016",13,65.5308,3.24
"D_glucose_6_phosphate","bmse000016",14,65.4799,2.31
"D_maltose","bmse000017",1,102.3099,6.16
"D_maltose","bmse000017",2,102.2275,9.38
"D_maltose","bmse000017",3,98.4704,10.34
"D_maltose","bmse000017",4,94.5912,6.33
"D_maltose","bmse000017",5,79.5285,5.17
"D_maltose","bmse000017",6,79.3217,8.47
"D_maltose","bmse000017",7,78.9276,9.15
"D_maltose","bmse000017",8,77.2648,10.83
"D_maltose","bmse000017",9,76.7045,8.61
"D_maltose","bmse000017",10,75.9471,5.48
"D_maltose","bmse000017",11,75.5584,7.84
"D_maltose","bmse000017",12,75.5345,10.55
"D_maltose","bmse000017",13,75.3859,9.92
"D_maltose","bmse000017",14,74.4492,5.89
"D_maltose","bmse000017",15,74.3558,8.17
"D_maltose","bmse000017",16,73.9924,5.77
"D_maltose","bmse000017",17,72.6486,6.16
"D_maltose","bmse000017",18,72.0198,8.44
"D_maltose","bmse000017",19,63.4361,6.09
"D_maltose","bmse000017",20,63.2871,4.41
"D_maltose","bmse000017",21,63.1596,12.5
"D_ornithine","bmse000019",1,56.8208,12.5
"D_ornithine","bmse000019",2,41.5722,10.12
"D_ornithine","bmse000019",3,30.1825,12.11
"D_ornithine","bmse000019",4,25.4604,8.77
"D_threo_isocitric_acid","bmse000025",1,183.683,6.79
"D_threo_isocitric_acid","bmse000025",2,182.958,3.11
"D_threo_isocitric_acid","bmse000025",3,76.3916,11.16
"D_threo_isocitric_acid","bmse000025",4,51.8047,12.5
"D_threo_isocitric_acid","bmse000025",5,40.3285,10.98
"D_xylulose","bmse000027",1,108.4502,1.01
"D_xylulose","bmse000027",2,105.6511,3.08
"D_xylulose","bmse000027",3,83.18,3.1
"D_xylulose","bmse000027",4,78.9065,11.61
"D_xylulose","bmse000027",5,78.5426,3.96
"D_xylulose","bmse000027",6,78.011,2.93
"D_xylulose","bmse000027",7,77.5565,9.89
"D_xylulose","bmse000027",8,74.6749,2.45
"D_xylulose","bmse000027",9,74.6163,2.47
"D_xylulose","bmse000027",10,72.5201,10.76
"D_xylulose","bmse000027",11,68.7345,3.03
"D_xylulose","bmse000027",12,65.6799,12.5
"D_xylulose","bmse000027",13,65.1062,3.07
"D_xylulose","bmse000027",14,64.5556,3.06
"fumaric_acid","bmse000083",1,177.424,1.91
"fumaric_acid","bmse000083",2,138.042,12.5
"gluconic_acid","bmse000084",1,181.3386,1.89
"gluconic_acid","bmse000084",2,76.7743,10.33
"gluconic_acid","bmse000084",3,75.2613,9.8
"gluconic_acid","bmse000084",4,73.8705,12.36
"gluconic_acid","bmse000084",5,73.6525,10.2
"gluconic_acid","bmse000084",6,65.308,12.5
"alpha_D_glucose_1_phosphate","bmse000086",1,96.3867,5.99
"alpha_D_glucose_1_phosphate","bmse000086",2,96.3335,6.2
"alpha_D_glucose_1_phosphate","bmse000086",3,75.8391,10.34
"alpha_D_glucose_1_phosphate","bmse000086",4,74.9392,5.94
"alpha_D_glucose_1_phosphate","bmse000086",5,74.871,6.51
"alpha_D_glucose_1_phosphate","bmse000086",6,74.7037,12.5
"alpha_D_glucose_1_phosphate","bmse000086",7,72.4482,11.49
"alpha_D_glucose_1_phosphate","bmse000086",8,63.3999,9.58
"alpha_D_glucose_1_6_bisphosphate","bmse000087",1,96.6014,6.13
"alpha_D_glucose_1_6_bisphosphate","bmse000087",2,96.5465,7.96
"alpha_D_glucose_1_6_bisphosphate","bmse000087",3,75.3449,11.03
"alpha_D_glucose_1_6_bisphosphate","bmse000087",4,75.0612,6.57
"alpha_D_glucose_1_6_bisphosphate","bmse000087",5,74.9873,7.68
"alpha_D_glucose_1_6_bisphosphate","bmse000087",6,74.3802,6.65
"alpha_D_glucose_1_6_bisphosphate","bmse000087",7,74.317,7.4
"alpha_D_glucose_1_6_bisphosphate","bmse000087",8,71.5781,12.5
"alpha_D_glucose_1_6_bisphosphate","bmse000087",9,65.3993,4.84
"alpha_D_glucose_1_6_bisphosphate","bmse000087",10,65.3536,5.06
"glycine","bmse000089",1,175.1557,1.97
"glycine","bmse000089",2,44.1252,12.5
"guanine","bmse000090",1,170.3632,9.04
"guanine","bmse000090",2,163.6535,12.5
"guanine","bmse000090",3,161.8796,11.9
"guanine","bmse000090",4,120.9619,9.12
"guanosine","bmse000091",1,170.5025,1.71
"guanosine","bmse000091",2,163.3657,1.47
"guanosine","bmse000091",3,153.5645,2.67
"guanosine","bmse000091",4,139.3656,9.14
"guanosine","bmse000091",5,121.0084,1.46
"guanosine","bmse000091",6,90.841,11.95
"guanosine","bmse000091",7,88.5938,12.21
"guanosine","bmse000091",8,75.8197,12.21
"guanosine","bmse000091",9,73.7609,12.5
"guanosine","bmse000091",10,64.5009,9.96
"4_hydroxybenzoic_acid","bmse000092",1,161.2131,1.26
"4_hydroxybenzoic_acid","bmse000092",2,133.942,12.5
"4_hydroxybenzoic_acid","bmse000092",3,130.8287,1.62
"4_hydroxybenzoic_acid","bmse000092",4,117.592,10.22
"trans_3_hydroxycinnamic_acid","bmse000093",1,178.4192,2.27
"trans_3_hydroxycinnamic_acid","bmse000093",2,158.5422,3.6
"trans_3_hydroxycinnamic_acid","bmse000093",3,143.1901,8.95
"trans_3_hydroxycinnamic_acid","bmse000093",4,139.6042,3.48
"trans_3_hydroxycinnamic_acid","bmse000093",5,133.0298,11.46
"trans_3_hydroxycinnamic_acid","bmse000093",6,127.174,8.41
"trans_3_hydroxycinnamic_acid","bmse000093",7,122.9365,12.5
"trans_3_hydroxycinnamic_acid","bmse000093",8,119.3249,10.36
"trans_3_hydroxycinnamic_acid","bmse000093",9,116.6163,10.36
"hypoxanthine","bmse000094",1,164.9523,1.17
"hypoxanthine","bmse000094",2,159.7264,2.08
"hypoxanthine","bmse000094",3,150.37,10.69
"hypoxanthine","bmse000094",4,149.1756,12.5
"hypoxanthine","bmse000094",5,123.2364,1.06
"imidazole","bmse000096",1,137.7708,3.03
"imidazole","bmse000096",2,123.4233,12.5
"indole","bmse000097",1,138.3981,1.25
"indole","bmse000097",2,130.4755,1.24
"indole","bmse000097",3,126.7831,8.65
"indole","bmse000097",4,124.6229,12.5
"indole","bmse000097",5,123.3758,10.66
"indole","bmse000097",6,122.4493,10.48
"indole","bmse000097",7,113.6756,9.74
"indole","bmse000097",8,105.2378,11.58
"inosine","bmse000098",1,151.078,2.3
"inosine","bmse000098",2,148.9185,8.98
"inosine","bmse000098",3,142.8874,7.4
"inosine","bmse000098",4,126.8411,1.65
"inosine","bmse000098",5,91.1086,8.08
"inosine","bmse000098",6,88.2694,11.43
"inosine","bmse000098",7,76.7759,12.5
"inosine","bmse000098",8,73.0828,10.32
"inosine","bmse000098",9,64.0173,8.72
"i_erythritol","bmse000095",1,74.6148,12.5
"i_erythritol","bmse000095",2,65.3077,8.45
"L_alanine","bmse000028",1,178.5574,1.16
"L_alanine","bmse000028",2,53.2035,9.48
"L_alanine","bmse000028",3,18.8465,12.5
"L_arginine","bmse000029",1,177.2125,3.21
"L_arginine","bmse000029",2,57.0216,10.14
"L_arginine","bmse000029",3,43.2011,12.5
"L_arginine","bmse000029",4,30.2885,11.19
"L_arginine","bmse000029",5,26.5758,9.54
"L_asparagine","bmse000030",1,177.1771,1.47
"L_asparagine","bmse000030",2,176.209,1.94
"L_asparagine","bmse000030",3,53.9932,12.5
"L_asparagine","bmse000030",4,37.2983,11.26
"L_aspartic_acid","bmse000031",1,180.297,3.41
"L_aspartic_acid","bmse000031",2,176.9954,2.67
"L_aspartic_acid","bmse000031",3,54.9142,11.68
"L_aspartic_acid","bmse000031",4,39.2604,12.5
"L_citrulline","bmse000032",1,177.3878,3.15
"L_citrulline","bmse000032",2,164.2805,1.25
"L_citrulline","bmse000032",3,57.2048,11.84
"L_citrulline","bmse000032",4,41.9551,1.88
"L_citrulline","bmse000032",5,30.4444,12.5
"L_citrulline","bmse000032",6,27.6682,7.93
"L_cystathionine","bmse000033",1,56.4392,8
"L_cystathionine","bmse000033",2,56.2614,10.81
"L_cystathionine","bmse000033",3,34.8058,9.84
"L_cystathionine","bmse000033",4,32.8913,9.2
"L_cystathionine","bmse000033",5,29.7625,12.5
"L_cysteine","bmse000034",1,58.731,9.48
"L_cysteine","bmse000034",2,27.687,12.5
"L_cystine","bmse000035",1,183.331,3.03
"L_cystine","bmse000035",2,57.5783,12.5
"L_cystine","bmse000035",3,46.0281,10.99
"L_fucose","bmse000036",1,98.936,11.78
"L_fucose","bmse000036",2,94.9206,4.76
"L_fucose","bmse000036",3,75.6252,9.59
"L_fucose","bmse000036",4,74.6014,4.86
"L_fucose","bmse000036",5,74.3627,10.92
"L_fucose","bmse000036",6,74.1543,8.8
"L_fucose","bmse000036",7,73.586,9.85
"L_fucose","bmse000036",8,71.9701,4.6
"L_fucose","bmse000036",9,70.7832,3.67
"L_fucose","bmse000036",10,69.0314,4.4
"L_fucose","bmse000036",11,18.2232,12.5
"L_glutamic_acid","bmse000037",1,184.0438,2.16
"L_glutamic_acid","bmse000037",2,177.297,1.79
"L_glutamic_acid","bmse000037",3,57.3356,12.29
"L_glutamic_acid","bmse000037",4,36.1753,9.58
"L_glutamic_acid","bmse000037",5,29.6742,12.5
"L_glutamine","bmse000038",1,180.3694,1.86
"L_glutamine","bmse000038",2,176.8264,2.47
"L_glutamine","bmse000038",3,56.8326,9.96
"L_glutamine","bmse000038",4,33.528,10.99
"L_glutamine","bmse000038",5,28.9528,12.5
"L_histidine","bmse000039",1,176.6511,1.83
"L_histidine","bmse000039",2,138.9728,9.16
"L_histidine","bmse000039",3,134.6686,2.25
"L_histidine","bmse000039",4,119.5492,8.47
"L_histidine","bmse000039",5,57.4737,12.5
"L_histidine","bmse000039",6,30.7804,11.71
"L_homoserine","bmse000040",1,177.2374,1.7
"L_homoserine","bmse000040",2,61.3363,12.5
"L_homoserine","bmse000040",3,56.0719,8.39
"L_homoserine","bmse000040",4,34.8823,11.17
"L_isoleucine","bmse000041",1,176.9223,1.89
"L_isoleucine","bmse000041",2,62.2493,12.5
"L_isoleucine","bmse000041",3,38.5957,9.56
"L_isoleucine","bmse000041",4,27.1531,12.15
"L_isoleucine","bmse000041",5,17.3893,8.4
"L_isoleucine","bmse000041",6,13.8035,7.76
"L_leucine","bmse000042",1,178.3284,2.9
"L_leucine","bmse000042",2,56.1175,11.06
"L_leucine","bmse000042",3,42.5151,11.41
"L_leucine","bmse000042",4,26.8579,12.5
"L_leucine","bmse000042",5,24.7283,9.43
"L_leucine","bmse000042",6,23.5808,12.45
"L_lysine","bmse000043",1,177.4077,2.58
"L_lysine","bmse000043",2,57.1969,9.77
"L_lysine","bmse000043",3,41.7595,10.04
"L_lysine","bmse000043",4,32.6068,10.59
"L_lysine","bmse000043",5,29.1125,12.5
"L_lysine","bmse000043",6,24.1325,10.95
"malic_acid","bmse000046",1,183.7669,2.25
"malic_acid","bmse000046",2,182.5706,2
"malic_acid","bmse000046",3,73.0495,9.52
"malic_acid","bmse000046",4,45.3174,12.5
"L_methionine","bmse000044",1,177.0256,1.63
"L_methionine","bmse000044",2,56.5949,11.7
"L_methionine","bmse000044",3,32.3948,11.02
"L_methionine","bmse000044",4,31.5117,12.5
"L_methionine","bmse000044",5,16.6207,5.66
"L_phenylalanine","bmse000045",1,137.8245,2.32
"L_phenylalanine","bmse000045",2,132.08,12.5
"L_phenylalanine","bmse000045",3,131.8234,9.6
"L_phenylalanine","bmse000045",4,130.4017,5.37
"L_phenylalanine","bmse000045",5,58.7477,5.25
"L_phenylalanine","bmse000045",6,39.0993,5.55
"L_proline","bmse000047",1,177.4144,1.3
"L_proline","bmse000047",2,63.9229,11.05
"L_proline","bmse000047",3,48.7631,9.32
"L_proline","bmse000047",4,31.6863,12.5
"L_proline","bmse000047",5,26.4548,9.6
"L_serine","bmse000048",1,62.8928,12.5
"L_serine","bmse000048",2,59.0815,8.62
"L_threonine","bmse000049",1,175.6411,1.16
"L_threonine","bmse000049",2,68.6408,12.03
"L_threonine","bmse000049",3,63.1368,12.5
"L_threonine","bmse000049",4,22.1352,12.2
"L_tryptophan","bmse000050",1,177.255,2.71
"L_tryptophan","bmse000050",2,139.0401,1.59
"L_tryptophan","bmse000050",3,129.3512,1.89
"L_tryptophan","bmse000050",4,127.7463,10.84
"L_tryptophan","bmse000050",5,124.8346,12.27
"L_tryptophan","bmse000050",6,122.1638,12.5
"L_tryptophan","bmse000050",7,121.1566,12.38
"L_tryptophan","bmse000050",8,114.6587,10.23
"L_tryptophan","bmse000050",9,110.1782,4.04
"L_tryptophan","bmse000050",10,57.7537,11.28
"L_tryptophan","bmse000050",11,29.1016,11.57
"L_tyrosine","bmse000051",1,184.1279,1.35
"L_tyrosine","bmse000051",2,163.7886,1.13
"L_tyrosine","bmse000051",3,133.3998,10.61
"L_tyrosine","bmse000051",4,128.0459,2.21
"L_tyrosine","bmse000051",5,120.2955,12.5
"L_tyrosine","bmse000051",6,60.0412,5.12
"L_tyrosine","bmse000051",7,41.8233,4.45
"L_valine","bmse000052",1,63.0706,10.1
"L_valine","bmse000052",2,31.7958,11.73
"L_valine","bmse000052",3,20.6547,12.29
"L_valine","bmse000052",4,19.3267,12.5
"D_mannitol","bmse000099",1,73.4901,12.5
"D_mannitol","bmse000099",2,71.9258,8.62
"D_mannitol","bmse000099",3,65.9197,11.81
"meso_erythritol","bmse000100",1,74.6159,12.5
"meso_erythritol","bmse000100",2,65.309,8.37
"methyl_oxobutanoic_acid","bmse000101",1,39.7045,5.48
"methyl_oxobutanoic_acid","bmse000101",2,19.0607,12.5
"muco_inositol","bmse000102",1,75.0137,6.8
"muco_inositol","bmse000102",2,72.8728,12.5
"myo_inositol","bmse000103",1,77.0519,5.9
"myo_inositol","bmse000103",2,75.1054,12.5
"myo_inositol","bmse000103",3,74.8867,4.4
"myo_inositol","bmse000103",4,73.8316,10.8
"NAD","bmse000053",1,167.8653,3.69
"NAD","bmse000053",2,158.0181,4.21
"NAD","bmse000053",3,155.468,8.5
"NAD","bmse000053",4,151.5966,5.8
"NAD","bmse000053",5,148.4441,6.77
"NAD","bmse000053",6,145.0618,5.64
"NAD","bmse000053",7,142.6338,5.11
"NAD","bmse000053",8,142.3914,7.13
"NAD","bmse000053",9,136.3277,6.28
"NAD","bmse000053",10,131.3233,7.72
"NAD","bmse000053",11,121.0165,3.15
"NAD","bmse000053",12,102.7367,9.04
"NAD","bmse000053",13,89.7361,5.45
"NAD","bmse000053",14,89.6488,5.15
"NAD","bmse000053",15,89.3547,10.54
"NAD","bmse000053",16,86.5859,5.25
"NAD","bmse000053",17,86.4979,5.24
"NAD","bmse000053",18,80.3065,12.5
"NAD","bmse000053",19,76.6526,12.24
"NAD","bmse000053",20,73.2929,11.75
"NAD","bmse000053",21,73.0829,11.48
"NAD","bmse000053",22,68.1579,4.36
"NAD","bmse000053",23,68.1059,4.27
"NAD","bmse000053",24,67.6491,4.7
"NAD","bmse000053",25,67.5973,4.24
"NADH","bmse000054",1,175.3474,5.48
"NADH","bmse000054",2,158.1968,4.24
"NADH","bmse000054",3,155.4171,8.83
"NADH","bmse000054",4,151.5844,5.71
"NADH","bmse000054",5,142.3515,6.8
"NADH","bmse000054",6,141.1257,9.71
"NADH","bmse000054",7,126.4094,7.79
"NADH","bmse000054",8,121.2963,4.16
"NADH","bmse000054",9,108.0387,9.52
"NADH","bmse000054",10,102.5371,7.01
"NADH","bmse000054",11,97.7448,9.22
"NADH","bmse000054",12,89.7936,11.06
"NADH","bmse000054",13,86.3582,5.51
"NADH","bmse000054",14,85.0981,5.6
"NADH","bmse000054",15,77.2518,12.23
"NADH","bmse000054",16,73.4643,12.14
"NADH","bmse000054",17,73.2824,12.5
"NADH","bmse000054",18,72.9239,9.04
"NADH","bmse000054",19,68.6321,4.65
"NADH","bmse000054",20,67.8556,4.52
"NADH","bmse000054",21,24.5551,8.23
"NADH","bmse000054",22,19.5029,3.45
"NADPH","bmse000055",1,175.4549,3.91
"NADPH","bmse000055",2,158.2562,4.4
"NADPH","bmse000055",3,155.3726,8.4
"NADPH","bmse000055",4,151.6612,4.78
"NADPH","bmse000055",5,142.7666,6.52
"NADPH","bmse000055",6,141.0746,8.37
"NADPH","bmse000055",7,126.4637,8.6
"NADPH","bmse000055",8,108.0154,8.41
"NADPH","bmse000055",9,102.5834,6.37
"NADPH","bmse000055",10,97.6847,9.4
"NADPH","bmse000055",11,89.5671,4.71
"NADPH","bmse000055",12,89.4832,4.7
"NADPH","bmse000055",13,85.6232,4.52
"NADPH","bmse000055",14,85.136,4.45
"NADPH","bmse000055",15,79.2632,4.94
"NADPH","bmse000055",16,73.4756,12.5
"NADPH","bmse000055",17,73.324,11.5
"NADPH","bmse000055",18,72.7309,8.21
"NADPH","bmse000055",19,68.5416,4.39
"NADPH","bmse000055",20,67.9571,5.25
"NADPH","bmse000055",21,24.6213,6.74
"niacin","bmse000104",1,176.0593,0.88
"niacin","bmse000104",2,153.1473,12.5
"niacin","bmse000104",3,151.7346,9.43
"niacin","bmse000104",4,140.3918,11.16
"niacin","bmse000104",5,135.0395,2.37
"niacin","bmse000104",6,126.6461,10.94
"nicotine","bmse000105",1,152.9553,11.86
"nicotine","bmse000105",2,151.8079,8.39
"nicotine","bmse000105",3,139.9786,11.24
"nicotine","bmse000105",4,132.2848,2.82
"nicotine","bmse000105",5,127.6138,11.08
"nicotine","bmse000105",6,72.3903,8.23
"nicotine","bmse000105",7,58.7754,9.8
"nicotine","bmse000105",8,40.9138,11.41
"nicotine","bmse000105",9,33.0757,8.96
"nicotine","bmse000105",10,24.2203,12.5
"N_acetylneuraminic_acid","bmse000057",1,179.4931,2.99
"N_acetylneuraminic_acid","bmse000057",2,177.4691,5.36
"N_acetylneuraminic_acid","bmse000057",3,99.1066,6.81
"N_acetylneuraminic_acid","bmse000057",4,73.0136,10.35
"N_acetylneuraminic_acid","bmse000057",5,72.9084,11.02
"N_acetylneuraminic_acid","bmse000057",6,71.2583,9.48
"N_acetylneuraminic_acid","bmse000057",7,70.0063,10.08
"N_acetylneuraminic_acid","bmse000057",8,66.0063,10.13
"N_acetylneuraminic_acid","bmse000057",9,54.9693,12.5
"N_acetylneuraminic_acid","bmse000057",10,42.0905,8.84
"N_acetylneuraminic_acid","bmse000057",11,24.8195,11.34
"N_acetyl_D_mannosamine","bmse000056",1,178.4248,1.93
"N_acetyl_D_mannosamine","bmse000056",2,177.4968,2.6
"N_acetyl_D_mannosamine","bmse000056",3,95.8209,8.31
"N_acetyl_D_mannosamine","bmse000056",4,95.688,9.13
"N_acetyl_D_mannosamine","bmse000056",5,79.0399,10.23
"N_acetyl_D_mannosamine","bmse000056",6,74.7525,9.08
"N_acetyl_D_mannosamine","bmse000056",7,74.6939,8.91
"N_acetyl_D_mannosamine","bmse000056",8,71.5593,11.26
"N_acetyl_D_mannosamine","bmse000056",9,69.4618,11.11
"N_acetyl_D_mannosamine","bmse000056",10,69.1894,8.23
"N_acetyl_D_mannosamine","bmse000056",11,63.0714,12.5
"N_acetyl_D_mannosamine","bmse000056",12,56.7834,6.76
"N_acetyl_D_mannosamine","bmse000056",13,55.9143,11.74
"N_acetyl_D_mannosamine","bmse000056",14,24.7467,6.42
"N_acetyl_D_mannosamine","bmse000056",15,24.6103,7.83
"oxalate","bmse000106",1,176.1386,12.5
"O_succinyl_L_homoserine","bmse000058",1,183.8863,2.56
"O_succinyl_L_homoserine","bmse000058",2,178.3647,2.14
"O_succinyl_L_homoserine","bmse000058",3,176.7702,2.64
"O_succinyl_L_homoserine","bmse000058",4,64.4599,9.53
"O_succinyl_L_homoserine","bmse000058",5,55.5165,8.79
"O_succinyl_L_homoserine","bmse000058",6,35.6935,1.47
"O_succinyl_L_homoserine","bmse000058",7,34.6435,11.39
"O_succinyl_L_homoserine","bmse000058",8,33.1998,12.5
"O_succinyl_L_homoserine","bmse000058",9,32.0477,7.9
"phosphoenolpyruvic_acid","bmse000107",1,152.4983,4.37
"phosphoenolpyruvic_acid","bmse000107",2,152.4267,2.42
"phosphoenolpyruvic_acid","bmse000107",3,102.8677,10.91
"phosphoenolpyruvic_acid","bmse000107",4,102.8401,12.5
"prephenic_acid","bmse000108",1,134.012,12.19
"prephenic_acid","bmse000108",2,130.3553,12.5
"prephenic_acid","bmse000108",3,64.0727,7.77
"prephenic_acid","bmse000108",4,51.2462,2.5
"prephenic_acid","bmse000108",5,50.6545,5.86
"putrescine","bmse000109",1,41.551,11.73
"putrescine","bmse000109",2,26.5984,12.5
"pyridoxal","bmse000110",1,161.5671,1.78
"pyridoxal","bmse000110",2,148.0785,2.3
"pyridoxal","bmse000110",3,140.9568,3.28
"pyridoxal","bmse000110",4,139.5279,4.52
"pyridoxal","bmse000110",5,120.0727,6.07
"pyridoxal","bmse000110",6,102.0212,10.48
"pyridoxal","bmse000110",7,72.5072,12.5
"pyridoxal","bmse000110",8,17.5108,7.09
"pyridoxal_5_phosphate","bmse000111",1,198.7901,4.06
"pyridoxal_5_phosphate","bmse000111",2,154.2739,7.56
"pyridoxal_5_phosphate","bmse000111",3,139.0553,2.73
"pyridoxal_5_phosphate","bmse000111",4,138.9802,2.7
"pyridoxal_5_phosphate","bmse000111",5,128.8539,3.48
"pyridoxal_5_phosphate","bmse000111",6,126.7748,3.24
"pyridoxal_5_phosphate","bmse000111",7,91.4524,2.95
"pyridoxal_5_phosphate","bmse000111",8,64.4322,9.86
"pyridoxal_5_phosphate","bmse000111",9,64.3954,7.79
"pyridoxal_5_phosphate","bmse000111",10,18.7125,12.5
"pyridoxal_5_phosphate","bmse000111",11,17.3618,2.26
"pyridoxamine","bmse000130",1,165.5851,1.63
"pyridoxamine","bmse000130",2,148.1236,2.38
"pyridoxamine","bmse000130",3,138.2661,5.06
"pyridoxamine","bmse000130",4,134.7636,2.63
"pyridoxamine","bmse000130",5,126.6506,8.52
"pyridoxamine","bmse000130",6,61.8257,9.73
"pyridoxamine","bmse000130",7,39.2287,12.5
"pyridoxamine","bmse000130",8,18.1093,10.27
"pyridoxamine_5_phosphate","bmse000131",1,165.6996,3.42
"pyridoxamine_5_phosphate","bmse000131",2,147.3396,4.49
"pyridoxamine_5_phosphate","bmse000131",3,137.5932,4.37
"pyridoxamine_5_phosphate","bmse000131",4,137.5201,3.66
"pyridoxamine_5_phosphate","bmse000131",5,135.8735,6.9
"pyridoxamine_5_phosphate","bmse000131",6,125.9833,8.38
"pyridoxamine_5_phosphate","bmse000131",7,64.3374,8.14
"pyridoxamine_5_phosphate","bmse000131",8,64.2962,7.45
"pyridoxamine_5_phosphate","bmse000131",9,38.955,12.5
"pyridoxamine_5_phosphate","bmse000131",10,17.7372,11.91
"scyllo_inositol","bmse000113",1,76.2821,12.5
"shikimic_acid","bmse000114",1,178.0757,1.84
"shikimic_acid","bmse000114",2,138.7121,3.69
"shikimic_acid","bmse000114",3,133.2065,8.63
"shikimic_acid","bmse000114",4,74.7462,8.91
"shikimic_acid","bmse000114",5,69.5201,11.73
"shikimic_acid","bmse000114",6,68.9871,12.5
"shikimic_acid","bmse000114",7,35.3685,8.86
"D_sorbitol","bmse000115",1,75.6364,11.8
"D_sorbitol","bmse000115",2,73.7844,11.91
"D_sorbitol","bmse000115",3,73.6628,11.46
"D_sorbitol","bmse000115",4,72.3478,12.5
"D_sorbitol","bmse000115",5,65.5074,7.86
"D_sorbitol","bmse000115",6,65.1126,9.65
"spermidine","bmse000116",1,49.7685,12.5
"spermidine","bmse000116",2,47.255,9.6
"spermidine","bmse000116",3,41.5152,10.94
"spermidine","bmse000116",4,39.2998,10.61
"spermidine","bmse000116",5,26.64,10.09
"spermidine","bmse000116",6,26.5227,9.51
"spermidine","bmse000116",7,25.4882,11.59
"spermine","bmse000117",1,50.4642,10.16
"spermine","bmse000117",2,48.3361,12.5
"spermine","bmse000117",3,40.6981,12.1
"spermine","bmse000117",4,30.823,7.1
"spermine","bmse000117",5,27.6835,10.97
"succinic_acid","bmse000118",1,185.1648,1.78
"succinic_acid","bmse000118",2,36.8897,12.5
"sucrose","bmse000119",1,106.3887,6.15
"sucrose","bmse000119",2,94.8829,11.39
"sucrose","bmse000119",3,84.0666,11.94
"sucrose","bmse000119",4,79.0967,11.54
"sucrose","bmse000119",5,76.6892,12.13
"sucrose","bmse000119",6,75.2562,11.56
"sucrose","bmse000119",7,75.107,12.4
"sucrose","bmse000119",8,73.7694,11.94
"sucrose","bmse000119",9,71.9114,12.5
"sucrose","bmse000119",10,65.0741,11.11
"sucrose","bmse000119",11,64.0305,10.38
"sucrose","bmse000119",12,62.8059,9.96
"S_adenosyl_L_methionine","bmse000059",1,177.2049,1.06
"S_adenosyl_L_methionine","bmse000059",2,175.5374,3.57
"S_adenosyl_L_methionine","bmse000059",3,158.2573,4.07
"S_adenosyl_L_methionine","bmse000059",4,158.1473,1.23
"S_adenosyl_L_methionine","bmse000059",5,155.5574,8.68
"S_adenosyl_L_methionine","bmse000059",6,155.4871,3.71
"S_adenosyl_L_methionine","bmse000059",7,154.9459,1.28
"S_adenosyl_L_methionine","bmse000059",8,151.4918,1.4
"S_adenosyl_L_methionine","bmse000059",9,151.3094,4.84
"S_adenosyl_L_methionine","bmse000059",10,143.3489,7.53
"S_adenosyl_L_methionine","bmse000059",11,142.6447,2.96
"S_adenosyl_L_methionine","bmse000059",12,121.7408,3.05
"S_adenosyl_L_methionine","bmse000059",13,91.8,12.5
"S_adenosyl_L_methionine","bmse000059",14,90.1262,1.08
"S_adenosyl_L_methionine","bmse000059",15,90.0407,3.67
"S_adenosyl_L_methionine","bmse000059",16,85.9474,3.7
"S_adenosyl_L_methionine","bmse000059",17,81.4782,2.83
"S_adenosyl_L_methionine","bmse000059",18,80.8642,9.06
"S_adenosyl_L_methionine","bmse000059",19,76.1774,4.19
"S_adenosyl_L_methionine","bmse000059",20,75.6933,3.46
"S_adenosyl_L_methionine","bmse000059",21,75.4417,10.55
"S_adenosyl_L_methionine","bmse000059",22,75.2896,11.21
"S_adenosyl_L_methionine","bmse000059",23,75.2102,3.9
"S_adenosyl_L_methionine","bmse000059",24,75.0576,4.66
"S_adenosyl_L_methionine","bmse000059",25,61.3914,4.52
"S_adenosyl_L_methionine","bmse000059",26,60.181,3.6
"S_adenosyl_L_methionine","bmse000059",27,56.1328,4.11
"S_adenosyl_L_methionine","bmse000059",28,55.5398,11.64
"S_adenosyl_L_methionine","bmse000059",29,55.4732,3.85
"S_adenosyl_L_methionine","bmse000059",30,51.6245,1.02
"S_adenosyl_L_methionine","bmse000059",31,47.0027,7.3
"S_adenosyl_L_methionine","bmse000059",32,41.6503,2.53
"S_adenosyl_L_methionine","bmse000059",33,41.5608,8
"S_adenosyl_L_methionine","bmse000059",34,39.296,1.04
"S_adenosyl_L_methionine","bmse000059",35,38.5747,3.27
"S_adenosyl_L_methionine","bmse000059",36,34.9032,4.07
"S_adenosyl_L_methionine","bmse000059",37,28.138,8.12
"S_adenosyl_L_methionine","bmse000059",38,27.9802,2.58
"S_adenosyl_L_methionine","bmse000059",39,26.5384,1.05
"S_adenosyl_L_methionine","bmse000059",40,26.4688,3.89
"S_adenosyl_L_methionine","bmse000059",41,26.1398,11.37
"S_adenosyl_L_methionine","bmse000059",42,19.5416,3.82
"S_adenosyl_L_methionine","bmse000059",43,18.0425,2.93
"taurine","bmse000120",1,50.2124,12.5
"taurine","bmse000120",2,38.0682,11.7
"L_threitol","bmse000121",1,74.3047,12.5
"L_threitol","bmse000121",2,65.3263,12.42
"trans_4_hydroxy_L_proline","bmse000123",1,177.0263,1.29
"trans_4_hydroxy_L_proline","bmse000123",2,72.7686,12.34
"trans_4_hydroxy_L_proline","bmse000123",3,62.5265,8.41
"trans_4_hydroxy_L_proline","bmse000123",4,55.643,12.5
"trans_4_hydroxy_L_proline","bmse000123",5,40.1298,9.82
"trans_cinnamic_acid","bmse000124",1,143.5556,4.31
"trans_cinnamic_acid","bmse000124",2,137.8775,1.34
"trans_cinnamic_acid","bmse000124",3,132.3324,6.15
"trans_cinnamic_acid","bmse000124",4,131.6902,9.94
"trans_cinnamic_acid","bmse000124",5,130.4135,12.5
"trans_cinnamic_acid","bmse000124",6,126.8267,3.92
"D_trehalose","bmse000125",1,95.9171,12.5
"D_trehalose","bmse000125",2,75.2081,11.88
"D_trehalose","bmse000125",3,74.8491,10.1
"D_trehalose","bmse000125",4,73.7422,9.97
"D_trehalose","bmse000125",5,72.3894,11.58
"D_trehalose","bmse000125",6,63.2132,8.55
"uric_acid","bmse000126",1,167.6653,6.04
"uric_acid","bmse000126",2,165.3393,12.5
"uric_acid","bmse000126",3,162.2146,6.72
"uric_acid","bmse000126",4,156.4958,8.87
"uric_acid","bmse000126",5,104.5779,6.55
"xanthine","bmse000127",1,163.3303,1.9
"xanthine","bmse000127",2,161.9958,1.23
"xanthine","bmse000127",3,158.0123,1.54
"xanthine","bmse000127",4,142.7225,12.5
"xanthine","bmse000127",5,116.2503,1.15
"xanthosine","bmse000128",1,163.7475,1.41
"xanthosine","bmse000128",2,162.2764,1.3
"xanthosine","bmse000128",3,155.8547,2.56
"xanthosine","bmse000128",4,140.0607,9.27
"xanthosine","bmse000128",5,118.2068,1.28
"xanthosine","bmse000128",6,90.6608,11.73
"xanthosine","bmse000128",7,88.5324,12.41
"xanthosine","bmse000128",8,75.9737,12.5
"xanthosine","bmse000128",9,73.5577,11.03
"xanthosine","bmse000128",10,64.3556,8.81
"xylitol","bmse000129",1,74.6275,11.33
"xylitol","bmse000129",2,73.4743,6.7
"xylitol","bmse000129",3,65.3143,12.5
"tyramine","bmse000243",1,157.2984,1.41
"tyramine","bmse000243",2,132.9956,12.5
"tyramine","bmse000243",3,131.1649,2.03
"tyramine","bmse000243",4,118.5125,12.18
"tyramine","bmse000243",5,43.4518,5.34
"tyramine","bmse000243",6,34.6329,6.06
"L_carnosine","bmse000246",1,180.2008,3.84
"L_carnosine","bmse000246",2,174.3323,4.86
"L_carnosine","bmse000246",3,137.5197,9.53
"L_carnosine","bmse000246",4,134.6631,4.69
"L_carnosine","bmse000246",5,119.8491,10.48
"L_carnosine","bmse000246",6,57.5784,11.65
"L_carnosine","bmse000246",7,38.3703,11.44
"L_carnosine","bmse000246",8,34.7671,12.5
"L_carnosine","bmse000246",9,30.9947,9.98
"glycolate","bmse000245",1,182.6562,5.25
"glycolate","bmse000245",2,63.9098,12.5
"1_3_dimethylurea","bmse000248",1,29.1399,12.5
"D_glucosamine","bmse000247",1,96.7337,8.51
"D_glucosamine","bmse000247",2,92.4167,12.41
"D_glucosamine","bmse000247",3,78.843,9.89
"D_glucosamine","bmse000247",4,75.8685,8.3
"D_glucosamine","bmse000247",5,74.3489,12.5
"D_glucosamine","bmse000247",6,72.9419,11.22
"D_glucosamine","bmse000247",7,72.4037,9.8
"D_glucosamine","bmse000247",8,72.3301,12.04
"D_glucosamine","bmse000247",9,63.2894,7.62
"D_glucosamine","bmse000247",10,63.0782,11.08
"D_glucosamine","bmse000247",11,59.6847,8.44
"D_glucosamine","bmse000247",12,57.1428,11.73
"isethionic_acid","bmse000242",1,59.6397,12.02
"isethionic_acid","bmse000242",2,55.5295,12.5
"N_N_dimethylglycine","bmse000241",1,62.5717,6.55
"N_N_dimethylglycine","bmse000241",2,46.2286,12.5
"dihydroxyacetone","bmse000144",1,214.7833,3.78
"dihydroxyacetone","bmse000144",2,97.773,1.6
"dihydroxyacetone","bmse000144",3,66.2429,12.5
"N_acetyl_L_glutamine","bmse000145",1,181.3622,2.37
"N_acetyl_L_glutamine","bmse000145",2,181.1277,3.44
"N_acetyl_L_glutamine","bmse000145",3,176.3862,3.32
"N_acetyl_L_glutamine","bmse000145",4,57.3658,12.5
"N_acetyl_L_glutamine","bmse000145",5,34.4405,9.75
"N_acetyl_L_glutamine","bmse000145",6,30.4549,10.18
"N_acetyl_L_glutamine","bmse000145",7,24.6247,9.17
"ADA","bmse000146",1,180.0279,1.66
"ADA","bmse000146",2,60.0622,12.5
"ADA","bmse000146",3,59.955,1.44
"4_aminoantipyrine","bmse000147",1,144.7673,1.72
"4_aminoantipyrine","bmse000147",2,135.763,1.74
"4_aminoantipyrine","bmse000147",3,132.3952,12.5
"4_aminoantipyrine","bmse000147",4,131.8174,5.85
"4_aminoantipyrine","bmse000147",5,129.3212,12.35
"4_aminoantipyrine","bmse000147",6,37.2322,4.81
"4_aminoantipyrine","bmse000147",7,11.7408,4.42
"acetylcarnitine","bmse000142",1,179.354,4.03
"acetylcarnitine","bmse000142",2,175.4615,4.06
"acetylcarnitine","bmse000142",3,70.835,4.53
"acetylcarnitine","bmse000142",4,69.5734,12.5
"acetylcarnitine","bmse000142",5,56.5103,12.2
"acetylcarnitine","bmse000142",6,42.9071,9.73
"acetylcarnitine","bmse000142",7,23.3168,9.11
"5_acetylamido_2_chloroaniline","bmse000143",1,139.2064,3.06
"5_acetylamido_2_chloroaniline","bmse000143",2,132.3826,12.5
"5_acetylamido_2_chloroaniline","bmse000143",3,116.2078,11.5
"5_acetylamido_2_chloroaniline","bmse000143",4,112.9825,11.85
"5_acetylamido_2_chloroaniline","bmse000143",5,25.522,8.76
"uracil","bmse000187",1,170.2202,1.35
"uracil","bmse000187",2,146.2032,10.52
"uracil","bmse000187",3,103.7407,12.5
"cytidine","bmse000190",1,168.8862,2.92
"cytidine","bmse000190",2,160.3399,2.39
"cytidine","bmse000190",3,144.3268,8.93
"cytidine","bmse000190",4,98.9421,9.02
"cytidine","bmse000190",5,92.9764,11.59
"cytidine","bmse000190",6,86.4726,11.93
"cytidine","bmse000190",7,76.6665,12.26
"cytidine","bmse000190",8,71.9801,12.5
"cytidine","bmse000190",9,63.4255,9.89
"propionic_acid","bmse000179",1,187.7472,2.27
"propionic_acid","bmse000179",2,33.4143,12.5
"propionic_acid","bmse000179",3,12.8911,11.53
"cytosine","bmse000180",1,170.1095,1.09
"cytosine","bmse000180",2,145.8461,10.28
"cytosine","bmse000180",3,97.8181,12.5
"3_hydroxybutyrate","bmse000161",1,183.1934,2.18
"3_hydroxybutyrate","bmse000161",2,68.3994,9.53
"3_hydroxybutyrate","bmse000161",3,49.2195,12.5
"3_hydroxybutyrate","bmse000161",4,24.4317,11.28
"sarcosine","bmse000160",1,174.1787,1.69
"sarcosine","bmse000160",2,53.5151,12.5
"sarcosine","bmse000160",3,35.3495,10.56
"beta_alanine","bmse000159",1,181.1398,1.61
"beta_alanine","bmse000159",2,39.2339,9.51
"beta_alanine","bmse000159",3,36.2855,12.5
"uridine","bmse000158",1,169.0394,2.54
"uridine","bmse000158",2,154.4569,2.08
"uridine","bmse000158",3,144.529,8.58
"uridine","bmse000158",4,104.9743,9.81
"uridine","bmse000158",5,92.0363,11.1
"uridine","bmse000158",6,86.9005,11.88
"uridine","bmse000158",7,76.3651,11.81
"uridine","bmse000158",8,72.0985,12.5
"uridine","bmse000158",9,63.4211,9.74
"N_acetyl_L_alanine","bmse000157",1,183.142,2.18
"N_acetyl_L_alanine","bmse000157",2,176.0277,2.41
"N_acetyl_L_alanine","bmse000157",3,53.6895,12.5
"N_acetyl_L_alanine","bmse000157",4,24.5618,8.98
"N_acetyl_L_alanine","bmse000157",5,20.0042,11.11
"trimethyl_phosphonoacetate","bmse000156",1,56.6257,8.02
"trimethyl_phosphonoacetate","bmse000156",2,56.5607,8.02
"trimethyl_phosphonoacetate","bmse000156",3,55.9903,12.5
"creatinine","bmse000155",1,191.713,2.26
"creatinine","bmse000155",2,59.1239,12.5
"creatinine","bmse000155",3,58.8527,2.53
"creatinine","bmse000155",4,58.6295,1.96
"creatinine","bmse000155",5,32.9001,9.73
"4_2_aminoethyl_morpholine","bmse000154",1,68.8872,12.21
"4_2_aminoethyl_morpholine","bmse000154",2,56.9694,6.45
"4_2_aminoethyl_morpholine","bmse000154",3,55.1945,12.5
"4_2_aminoethyl_morpholine","bmse000154",4,38.3707,5.31
"L_methionine_methylsulfonium_iodide","bmse000153",1,176.1278,2.46
"L_methionine_methylsulfonium_iodide","bmse000153",2,55.6328,12.37
"L_methionine_methylsulfonium_iodide","bmse000153",3,42.2714,10.53
"L_methionine_methylsulfonium_iodide","bmse000153",4,28.1127,10.06
"L_methionine_methylsulfonium_iodide","bmse000153",5,27.4753,11.87
"L_methionine_methylsulfonium_iodide","bmse000153",6,27.4428,12.5
"trigonelline","bmse000152",1,170.5429,1.63
"trigonelline","bmse000152",2,148.7294,3.53
"trigonelline","bmse000152",3,148.5432,3.12
"trigonelline","bmse000152",4,147.4509,9.81
"trigonelline","bmse000152",5,139.591,3.58
"trigonelline","bmse000152",6,130.3808,12.5
"trigonelline","bmse000152",7,50.9868,3.8
"L_kynurenine","bmse000172",1,202.7838,4.18
"L_kynurenine","bmse000172",2,176.9655,3.82
"L_kynurenine","bmse000172",3,153.0281,3.8
"L_kynurenine","bmse000172",4,138.3201,10.63
"L_kynurenine","bmse000172",5,134.0077,10.47
"L_kynurenine","bmse000172",6,120.7487,12.5
"L_kynurenine","bmse000172",7,120.1347,3.19
"L_kynurenine","bmse000172",8,119.5469,11.71
"L_kynurenine","bmse000172",9,53.4373,9.6
"L_kynurenine","bmse000172",10,53.3893,1.75
"L_kynurenine","bmse000172",11,41.6724,9.4
"4_hydroxyphenethyl_alcohol","bmse000173",1,156.5231,1.3
"4_hydroxyphenethyl_alcohol","bmse000173",2,133.6531,2.03
"4_hydroxyphenethyl_alcohol","bmse000173",3,133.0108,12.05
"4_hydroxyphenethyl_alcohol","bmse000173",4,118.0973,12.5
"4_hydroxyphenethyl_alcohol","bmse000173",5,65.4628,5.4
"4_hydroxyphenethyl_alcohol","bmse000173",6,39.6054,5.27
"L_glutathione_oxidized","bmse000170",1,179.0431,5.08
"L_glutathione_oxidized","bmse000170",2,177.7295,7.27
"L_glutathione_oxidized","bmse000170",3,176.8436,5.71
"L_glutathione_oxidized","bmse000170",4,174.576,7.14
"L_glutathione_oxidized","bmse000170",5,56.7983,12.5
"L_glutathione_oxidized","bmse000170",6,55.2962,6.93
"L_glutathione_oxidized","bmse000170",7,46.1769,10
"L_glutathione_oxidized","bmse000170",8,41.3939,5.3
"L_glutathione_oxidized","bmse000170",9,34.0976,8.71
"L_glutathione_oxidized","bmse000170",10,28.9834,9.22
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",1,137.9087,2.24
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",2,137.8673,2.37
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",3,131.376,12.5
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",4,131.3613,12.49
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",5,130.699,5.71
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",6,130.6797,5.71
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",7,130.3647,10.88
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",8,130.3201,11.19
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",9,58.3213,5.52
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",10,57.0571,5.41
"2_amino_5_ethyl_1_3_4_thiadiazole","bmse000176",1,168.4472,1.23
"2_amino_5_ethyl_1_3_4_thiadiazole","bmse000176",2,25.8692,12.5
"2_amino_5_ethyl_1_3_4_thiadiazole","bmse000176",3,15.8228,11.49
"indole_3_acetic_acid","bmse000177",1,184.4014,2.14
"indole_3_acetic_acid","bmse000177",2,138.8639,1.78
"indole_3_acetic_acid","bmse000177",3,129.8341,1.84
"indole_3_acetic_acid","bmse000177",4,126.7302,9.37
"indole_3_acetic_acid","bmse000177",5,124.4124,12.5
"indole_3_acetic_acid","bmse000177",6,121.7961,11.6
"indole_3_acetic_acid","bmse000177",7,121.3961,11.96
"indole_3_acetic_acid","bmse000177",8,114.4077,11.75
"indole_3_acetic_acid","bmse000177",9,113.0393,2.26
"indole_3_acetic_acid","bmse000177",10,36.6627,11.8
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",1,177.1121,2.86
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",2,175.8429,2.97
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",3,146.1205,4.91
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",4,142.1751,2.25
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",5,140.3992,5.19
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",6,135.1671,1.17
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",7,128.5755,12.5
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",8,122.2003,7.85
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",9,120.5307,8.5
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",10,26.0734,7.9
"inosine_5_monophosphate","bmse000175",1,161.425,3.75
"inosine_5_monophosphate","bmse000175",2,151.4802,4.81
"inosine_5_monophosphate","bmse000175",3,149.0993,9.26
"inosine_5_monophosphate","bmse000175",4,142.6513,8.28
"inosine_5_monophosphate","bmse000175",5,126.224,3.55
"inosine_5_monophosphate","bmse000175",6,90.0513,11.57
"inosine_5_monophosphate","bmse000175",7,87.5897,6.17
"inosine_5_monophosphate","bmse000175",8,87.5029,6.25
"inosine_5_monophosphate","bmse000175",9,77.4723,12.43
"inosine_5_monophosphate","bmse000175",10,73.3415,12.5
"inosine_5_monophosphate","bmse000175",11,66.1817,4.69
"inosine_5_monophosphate","bmse000175",12,66.1371,4.9
"acetylcholine","bmse000168",1,175.9351,1.7
"acetylcholine","bmse000168",2,67.2352,3.17
"acetylcholine","bmse000168",3,67.2022,3.69
"acetylcholine","bmse000168",4,67.1693,3.21
"acetylcholine","bmse000168",5,61.0489,9.91
"acetylcholine","bmse000168",6,56.5037,10.75
"acetylcholine","bmse000168",7,56.4653,12.5
"acetylcholine","bmse000168",8,56.4269,11.09
"acetylcholine","bmse000168",9,22.907,5.01
"L_selenomethionine","bmse000169",1,177.0007,2.6
"L_selenomethionine","bmse000169",2,57.4374,11.47
"L_selenomethionine","bmse000169",3,33.6291,11.68
"L_selenomethionine","bmse000169",4,21.9577,12.5
"L_selenomethionine","bmse000169",5,5.9908,6.84
"L_carnitine","bmse000211",1,180.7932,2.55
"L_carnitine","bmse000211",2,72.8484,3.55
"L_carnitine","bmse000211",3,72.8194,4.35
"L_carnitine","bmse000211",4,72.7905,3.77
"L_carnitine","bmse000211",5,66.787,9.83
"L_carnitine","bmse000211",6,56.8352,10.16
"L_carnitine","bmse000211",7,56.7971,12.5
"L_carnitine","bmse000211",8,56.7587,10.72
"L_carnitine","bmse000211",9,45.6836,6.68
"2_deoxyguanosine_5_triphosphate","bmse000210",1,161.5994,4.1
"2_deoxyguanosine_5_triphosphate","bmse000210",2,156.5483,6.62
"2_deoxyguanosine_5_triphosphate","bmse000210",3,153.9201,3.76
"2_deoxyguanosine_5_triphosphate","bmse000210",4,140.177,4.97
"2_deoxyguanosine_5_triphosphate","bmse000210",5,118.7094,3.56
"2_deoxyguanosine_5_triphosphate","bmse000210",6,88.3356,4.95
"2_deoxyguanosine_5_triphosphate","bmse000210",7,88.2497,5.03
"2_deoxyguanosine_5_triphosphate","bmse000210",8,86.1217,10.42
"2_deoxyguanosine_5_triphosphate","bmse000210",9,85.9663,1.24
"2_deoxyguanosine_5_triphosphate","bmse000210",10,73.5912,12.5
"2_deoxyguanosine_5_triphosphate","bmse000210",11,73.4257,1.36
"2_deoxyguanosine_5_triphosphate","bmse000210",12,68.0836,4.3
"2_deoxyguanosine_5_triphosphate","bmse000210",13,68.0298,4.01
"2_deoxyguanosine_5_triphosphate","bmse000210",14,60.1564,2.92
"2_deoxyguanosine_5_triphosphate","bmse000210",15,41.4696,9.7
"2_deoxyguanosine_5_triphosphate","bmse000210",16,19.5226,3.19
"L_glutathione_reduced","bmse000185",1,179.0844,3.34
"L_glutathione_reduced","bmse000185",2,177.7381,6.24
"L_glutathione_reduced","bmse000185",3,176.8762,4.09
"L_glutathione_reduced","bmse000185",4,174.517,4.49
"L_glutathione_reduced","bmse000185",5,58.485,9.28
"L_glutathione_reduced","bmse000185",6,56.8252,12.5
"L_glutathione_reduced","bmse000185",7,46.0594,11.98
"L_glutathione_reduced","bmse000185",8,34.0617,10.25
"L_glutathione_reduced","bmse000185",9,28.9279,10.05
"L_glutathione_reduced","bmse000185",10,28.2991,8.79
"L-ascorbate","bmse000182",1,180.3168,1.43
"L-ascorbate","bmse000182",2,178.4832,2.74
"L-ascorbate","bmse000182",3,115.802,1.21
"L-ascorbate","bmse000182",4,81.1004,12.5
"L-ascorbate","bmse000182",5,72.2534,11.82
"L-ascorbate","bmse000182",6,65.2522,10.99
"glycerol","bmse000184",1,74.7687,5.34
"glycerol","bmse000184",2,65.1855,12.5
"succinic_acid","bmse000183",1,185.1723,12.5
"diethyl_oxalacetate","bmse000148",1,175.4103,2.81
"diethyl_oxalacetate","bmse000148",2,174.3091,2.64
"diethyl_oxalacetate","bmse000148",3,173.4326,3.11
"diethyl_oxalacetate","bmse000148",4,168.1048,3.57
"diethyl_oxalacetate","bmse000148",5,163.0751,2.84
"diethyl_oxalacetate","bmse000148",6,107.9727,2.93
"diethyl_oxalacetate","bmse000148",7,66.4032,12.5
"diethyl_oxalacetate","bmse000148",8,64.8073,11.65
"diethyl_oxalacetate","bmse000148",9,63.2252,12.35
"diethyl_oxalacetate","bmse000148",10,60.1425,6.53
"diethyl_oxalacetate","bmse000148",11,19.5054,7.69
"diethyl_oxalacetate","bmse000148",12,16.4349,10.31
"diethyl_oxalacetate","bmse000148",13,16.0264,10.85
"diethyl_oxalacetate","bmse000148",14,15.8307,11.05
"diethyl_oxalacetate","bmse000148",15,8.3719,1.46
"methyl_4_aminobutyrate","bmse000249",1,178.332,2.3
"methyl_4_aminobutyrate","bmse000249",2,55.0318,9.91
"methyl_4_aminobutyrate","bmse000249",3,41.3931,9.31
"methyl_4_aminobutyrate","bmse000249",4,33.2371,12.5
"methyl_4_aminobutyrate","bmse000249",5,24.7364,10.01
"acetic_acid","bmse000191",1,25.9921,12.5
"DL_alpha_glycerol_phosphate","bmse000193",1,74.017,6.6
"DL_alpha_glycerol_phosphate","bmse000193",2,73.9509,6.61
"DL_alpha_glycerol_phosphate","bmse000193",3,67.5764,6.42
"DL_alpha_glycerol_phosphate","bmse000193",4,67.5279,6.33
"DL_alpha_glycerol_phosphate","bmse000193",5,64.9909,12.5
"L_arginine_L_glutamate","bmse000194",1,184.0271,2.62
"L_arginine_L_glutamate","bmse000194",2,177.3004,2.69
"L_arginine_L_glutamate","bmse000194",3,177.2486,3.51
"L_arginine_L_glutamate","bmse000194",4,159.5217,1.58
"L_arginine_L_glutamate","bmse000194",5,57.3276,11.34
"L_arginine_L_glutamate","bmse000194",6,56.9877,12.33
"L_arginine_L_glutamate","bmse000194",7,43.187,10.69
"L_arginine_L_glutamate","bmse000194",8,36.1773,12.5
"L_arginine_L_glutamate","bmse000194",9,30.2821,11.31
"L_arginine_L_glutamate","bmse000194",10,29.6813,11.66
"L_arginine_L_glutamate","bmse000194",11,26.565,9.36
"N_alpha_acetyl_DL_ornithine","bmse000195",1,181.278,2.84
"N_alpha_acetyl_DL_ornithine","bmse000195",2,176.3942,3.3
"N_alpha_acetyl_DL_ornithine","bmse000195",3,57.2647,12.5
"N_alpha_acetyl_DL_ornithine","bmse000195",4,41.7026,11.36
"N_alpha_acetyl_DL_ornithine","bmse000195",5,31.2562,11.58
"N_alpha_acetyl_DL_ornithine","bmse000195",6,26.1175,10.85
"N_alpha_acetyl_DL_ornithine","bmse000195",7,24.6039,9.43
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",1,177.1802,4.22
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",2,100.7816,12.14
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",3,74.3693,12.5
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",4,73.8173,11.87
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",5,72.6604,11.86
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",6,63.2442,9.78
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",7,57.84,10.7
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",8,56.3295,11.36
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",9,24.5939,9.03
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",1,177.4262,6.89
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",2,95.5064,6.59
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",3,95.4519,6.61
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",4,74.8112,12.48
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",5,74.1248,11.53
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",6,72.717,12.5
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",7,63.3991,10.48
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",8,60.1385,1.19
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",9,56.8941,6.31
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",10,56.82,5.92
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",11,24.8547,11.82
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",12,19.5064,1.35
"6_phosphogluconic_acid","bmse000198",1,181.6058,3.57
"6_phosphogluconic_acid","bmse000198",2,76.871,10.24
"6_phosphogluconic_acid","bmse000198",3,74.5728,12.34
"6_phosphogluconic_acid","bmse000198",4,73.5923,12.5
"6_phosphogluconic_acid","bmse000198",5,73.3427,6.13
"6_phosphogluconic_acid","bmse000198",6,73.2817,6
"6_phosphogluconic_acid","bmse000198",7,67.8378,5.3
"6_phosphogluconic_acid","bmse000198",8,67.7897,5.02
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",1,177.4856,7.09
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",2,169.018,6.26
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",3,154.5678,4.71
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",4,144.3458,8.41
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",5,105.3664,9.76
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",6,97.2217,5.52
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",7,97.1586,5.3
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",8,91.2324,10.4
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",9,85.9265,5.45
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",10,85.8356,5.37
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",11,76.5038,12.5
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",12,75.7265,10.47
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",13,73.618,9.4
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",14,72.3363,12.03
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",15,72.1894,10.68
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",16,67.7104,4.06
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",17,67.6547,4.21
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",18,63.011,8.29
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",19,56.4123,4.85
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",20,56.3279,4.86
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",21,24.8017,11.06
"D_glucosamine_6_phosphate","bmse000189",1,96.7641,3.96
"D_glucosamine_6_phosphate","bmse000189",2,92.5468,9.11
"D_glucosamine_6_phosphate","bmse000189",3,78.573,7.72
"D_glucosamine_6_phosphate","bmse000189",4,78.5029,8.09
"D_glucosamine_6_phosphate","bmse000189",5,75.3,3.82
"D_glucosamine_6_phosphate","bmse000189",6,74.241,8.9
"D_glucosamine_6_phosphate","bmse000189",7,74.1735,8.79
"D_glucosamine_6_phosphate","bmse000189",8,72.61,7.6
"D_glucosamine_6_phosphate","bmse000189",9,72.216,8.01
"D_glucosamine_6_phosphate","bmse000189",10,72.0861,11.81
"D_glucosamine_6_phosphate","bmse000189",11,65.6945,5.67
"D_glucosamine_6_phosphate","bmse000189",12,65.5318,8.2
"D_glucosamine_6_phosphate","bmse000189",13,59.9922,8.37
"D_glucosamine_6_phosphate","bmse000189",14,57.442,12.5
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",1,177.6459,3.99
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",2,177.3558,6.21
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",3,97.9785,9.64
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",4,93.8355,12.5
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",5,78.3788,4.55
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",6,78.3082,5
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",7,76.3335,8.77
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",8,74.1312,5.77
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",9,74.0636,5.71
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",10,73.273,9.62
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",11,72.5985,6.43
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",12,72.4066,4.3
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",13,65.8183,6.34
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",14,59.7314,6.92
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",15,57.09,11.32
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",16,25.09,7.17
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",17,24.8284,8.82
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",18,24.6366,2.13
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",19,8.3826,2.3
"formate","bmse000203",1,173.8915,12.5
"HEPES","bmse000202",1,60.8048,5.44
"HEPES","bmse000202",2,58.5772,7.51
"HEPES","bmse000202",3,54.5149,8.11
"HEPES","bmse000202",4,54.0844,12.5
"HEPES","bmse000202",5,52.383,11.07
"HEPES","bmse000202",6,50.0053,7.83
"D_citrulline","bmse000209",1,177.3935,5.6
"D_citrulline","bmse000209",2,164.2858,1.35
"D_citrulline","bmse000209",3,57.1942,10.87
"D_citrulline","bmse000209",4,41.9172,1.9
"D_citrulline","bmse000209",5,30.442,12.5
"D_citrulline","bmse000209",6,27.6603,6.22
"tryptamine","bmse000207",1,139.1467,1.96
"tryptamine","bmse000207",2,129.1548,2.05
"tryptamine","bmse000207",3,127.0515,9.42
"tryptamine","bmse000207",4,124.8771,12.23
"tryptamine","bmse000207",5,122.1292,11.7
"tryptamine","bmse000207",6,121.0332,11.62
"tryptamine","bmse000207",7,114.7782,11.66
"tryptamine","bmse000207",8,111.7871,2.5
"tryptamine","bmse000207",9,42.4461,10.28
"tryptamine","bmse000207",10,25.3872,12.5
"caffeine","bmse000206",1,158.3677,2.3
"caffeine","bmse000206",2,154.8444,2.1
"caffeine","bmse000206",3,150.6943,2.53
"caffeine","bmse000206",4,146.1726,12.5
"caffeine","bmse000206",5,109.992,1.93
"caffeine","bmse000206",6,36.1671,12
"caffeine","bmse000206",7,32.5176,11.72
"caffeine","bmse000206",8,30.6092,12.15
"DL_serine","bmse000222",1,175.1858,1.49
"DL_serine","bmse000222",2,62.8818,12.5
"DL_serine","bmse000222",3,59.0696,9.18
"kanamycin","bmse000201",1,103.0882,11.25
"kanamycin","bmse000201",2,99.3708,11.19
"kanamycin","bmse000201",3,87.4547,11.03
"kanamycin","bmse000201",4,82.3518,10.12
"kanamycin","bmse000201",5,76.1335,11.05
"kanamycin","bmse000201",6,75.2746,11.27
"kanamycin","bmse000201",7,74.8051,11.96
"kanamycin","bmse000201",8,73.8216,11.92
"kanamycin","bmse000201",9,73.7132,12.5
"kanamycin","bmse000201",10,71.3274,11.8
"kanamycin","bmse000201",11,71.2135,10.89
"kanamycin","bmse000201",12,68.4669,11.25
"kanamycin","bmse000201",13,62.5738,8.79
"kanamycin","bmse000201",14,57.6876,10.31
"kanamycin","bmse000201",15,52.8142,10.87
"kanamycin","bmse000201",16,50.8624,10.67
"kanamycin","bmse000201",17,43.1772,9.79
"kanamycin","bmse000201",18,32.4006,6.43
"D_galacturonic_acid","bmse000216",1,178.7328,1.92
"D_galacturonic_acid","bmse000216",2,177.8683,2.95
"D_galacturonic_acid","bmse000216",3,103.6266,1.14
"D_galacturonic_acid","bmse000216",4,98.6973,11.64
"D_galacturonic_acid","bmse000216",5,94.8821,8.1
"D_galacturonic_acid","bmse000216",6,86.1096,1.16
"D_galacturonic_acid","bmse000216",7,83.8927,1.25
"D_galacturonic_acid","bmse000216",8,78.2191,12.5
"D_galacturonic_acid","bmse000216",9,75.5921,12.15
"D_galacturonic_acid","bmse000216",10,74.2733,11.54
"D_galacturonic_acid","bmse000216",11,74.0687,8.3
"D_galacturonic_acid","bmse000216",12,73.5175,7.92
"D_galacturonic_acid","bmse000216",13,73.4128,1.2
"D_galacturonic_acid","bmse000216",14,73.0403,11.9
"D_galacturonic_acid","bmse000216",15,72.0425,8.11
"D_galacturonic_acid","bmse000216",16,70.7295,8.19
"melibiose","bmse000215",1,100.9074,4.94
"melibiose","bmse000215",2,100.8624,8.18
"melibiose","bmse000215",3,98.7735,7.77
"melibiose","bmse000215",4,94.8936,4.8
"melibiose","bmse000215",5,78.5818,7.92
"melibiose","bmse000215",6,77.0481,7.86
"melibiose","bmse000215",7,76.7432,7.91
"melibiose","bmse000215",8,75.641,4.51
"melibiose","bmse000215",9,74.115,4.66
"melibiose","bmse000215",10,73.6521,8.63
"melibiose","bmse000215",11,72.7897,4.38
"melibiose","bmse000215",12,72.2675,4.58
"melibiose","bmse000215",13,72.1681,11.13
"melibiose","bmse000215",14,72.1168,8.41
"melibiose","bmse000215",15,71.8969,12.5
"melibiose","bmse000215",16,71.1809,5.01
"melibiose","bmse000215",17,71.1499,8
"melibiose","bmse000215",18,68.5997,3.4
"melibiose","bmse000215",19,68.5048,5.74
"melibiose","bmse000215",20,63.7993,7.48
"raffinose","bmse000221",1,106.4984,12
"raffinose","bmse000221",2,101.1619,11.75
"raffinose","bmse000221",3,94.8107,10.5
"raffinose","bmse000221",4,84.0386,10.37
"raffinose","bmse000221",5,78.9908,10.66
"raffinose","bmse000221",6,76.6708,10.74
"raffinose","bmse000221",7,75.3481,10.62
"raffinose","bmse000221",8,74.0893,10.03
"raffinose","bmse000221",9,73.7298,10.76
"raffinose","bmse000221",10,73.6491,10.76
"raffinose","bmse000221",11,72.1375,11.45
"raffinose","bmse000221",12,72.0811,10.61
"raffinose","bmse000221",13,71.8977,12.5
"raffinose","bmse000221",14,71.1782,10.63
"raffinose","bmse000221",15,68.5609,7.4
"raffinose","bmse000221",16,65.174,9.27
"raffinose","bmse000221",17,64.0591,8.59
"raffinose","bmse000221",18,63.8064,10.78
"phenylacetic_acid","bmse000220",1,140.0132,1.48
"phenylacetic_acid","bmse000220",2,131.8678,12.4
"phenylacetic_acid","bmse000220",3,131.3739,12.5
"phenylacetic_acid","bmse000220",4,129.1624,7.27
"phenylacetic_acid","bmse000220",5,47.1763,7.68
"quinolinic_acid","bmse000219",1,151.0633,4.64
"quinolinic_acid","bmse000219",2,139.9295,12.5
"quinolinic_acid","bmse000219",3,134.2225,1.66
"quinolinic_acid","bmse000219",4,126.3609,1.43
"L_arabinose","bmse000213",1,99.4707,11.84
"L_arabinose","bmse000213",2,95.2773,6.36
"L_arabinose","bmse000213",3,85.6557,1.01
"L_arabinose","bmse000213",4,75.1558,12.46
"L_arabinose","bmse000213",5,74.5445,11.65
"L_arabinose","bmse000213",6,71.3975,5.23
"L_arabinose","bmse000213",7,71.291,6.33
"L_arabinose","bmse000213",8,71.19,12.5
"L_arabinose","bmse000213",9,71.1316,6.46
"L_arabinose","bmse000213",10,69.092,10.76
"L_arabinose","bmse000213",11,65.1629,5.63
"L_arabinose","bmse000213",12,63.7809,1.01
"maleic_acid","bmse000212",1,178.0156,12.5
"maleic_acid","bmse000212",2,138.0455,2.52
"trimethylamine","bmse000224",1,47.3627,12.5
"FAD","bmse000226",1,164.0687,6.03
"FAD","bmse000226",2,160.4644,6.44
"FAD","bmse000226",3,157.4008,5.27
"FAD","bmse000226",4,155.0401,6.79
"FAD","bmse000226",5,153.2024,6.31
"FAD","bmse000226",6,152.7018,4.88
"FAD","bmse000226",7,150.7506,8.42
"FAD","bmse000226",8,141.8033,9.25
"FAD","bmse000226",9,137.3022,7.38
"FAD","bmse000226",10,136.7199,6.9
"FAD","bmse000226",11,134.1126,5.24
"FAD","bmse000226",12,133.1145,6.31
"FAD","bmse000226",13,120.4006,4.97
"FAD","bmse000226",14,119.1392,5.98
"FAD","bmse000226",15,89.8286,8.42
"FAD","bmse000226",16,86.1706,4.9
"FAD","bmse000226",17,77.5902,9.53
"FAD","bmse000226",18,75.1902,7.63
"FAD","bmse000226",19,73.8874,4.74
"FAD","bmse000226",20,72.6742,9.77
"FAD","bmse000226",21,72.0204,7.14
"FAD","bmse000226",22,49.8304,4.6
"FAD","bmse000226",23,23.4503,12.23
"FAD","bmse000226",24,21.3064,12.5
"biotin","bmse000227",1,186.5202,3.08
"biotin","bmse000227",2,168.1155,1.31
"biotin","bmse000227",3,64.7083,11.47
"biotin","bmse000227",4,62.9655,10.94
"biotin","bmse000227",5,58.0656,12.5
"biotin","bmse000227",6,42.4481,10.02
"biotin","bmse000227",7,40.0331,11.31
"biotin","bmse000227",8,30.9897,10.73
"biotin","bmse000227",9,30.4007,10.87
"biotin","bmse000227",10,28.3888,11.03
"L_malic_acid","bmse000238",1,183.7653,2.22
"L_malic_acid","bmse000238",2,182.5621,2.11
"L_malic_acid","bmse000238",3,73.0565,11
"L_malic_acid","bmse000238",4,45.325,12.5
"DL_pipecolic_acid","bmse000237",1,177.3687,2.02
"DL_pipecolic_acid","bmse000237",2,61.7014,10.46
"DL_pipecolic_acid","bmse000237",3,46.3684,11.14
"DL_pipecolic_acid","bmse000237",4,29.2254,12.03
"DL_pipecolic_acid","bmse000237",5,24.5183,12.5
"DL_pipecolic_acid","bmse000237",6,24.2597,11.72
"alpha_naphthoic_acid","bmse000178",1,180.9525,1.22
"alpha_naphthoic_acid","bmse000178",2,140.3164,2.38
"alpha_naphthoic_acid","bmse000178",3,136.0023,3.43
"alpha_naphthoic_acid","bmse000178",4,131.8378,2.83
"alpha_naphthoic_acid","bmse000178",5,131.5775,11.93
"alpha_naphthoic_acid","bmse000178",6,130.9661,12.32
"alpha_naphthoic_acid","bmse000178",7,129.4469,11.78
"alpha_naphthoic_acid","bmse000178",8,128.9278,12.24
"alpha_naphthoic_acid","bmse000178",9,128.3008,11.2
"alpha_naphthoic_acid","bmse000178",10,128.1263,11.47
"alpha_naphthoic_acid","bmse000178",11,126.9179,12.5
"L_lactic_acid","bmse000208",1,185.2568,1.47
"L_lactic_acid","bmse000208",2,71.1986,10.31
"L_lactic_acid","bmse000208",3,22.7605,12.5
"thymidine","bmse000244",1,169.2606,1.96
"thymidine","bmse000244",2,154.4362,2.17
"thymidine","bmse000244",3,140.2111,10.41
"thymidine","bmse000244",4,114.1556,4.85
"thymidine","bmse000244",5,89.1962,12.5
"thymidine","bmse000244",6,87.7135,11.37
"thymidine","bmse000244",7,73.1301,12.1
"thymidine","bmse000244",8,63.8632,10.49
"thymidine","bmse000244",9,41.1957,10.46
"thymidine","bmse000244",10,14.2614,10.1
"citraconic_acid","bmse000199",1,182.5855,1.19
"citraconic_acid","bmse000199",2,177.0006,1.62
"citraconic_acid","bmse000199",3,150.7235,3.14
"citraconic_acid","bmse000199",4,122.9987,12.5
"citraconic_acid","bmse000199",5,23.083,10.26
"homogentisic_acid","bmse000200",1,183.4495,2.25
"homogentisic_acid","bmse000200",2,151.5798,3.49
"homogentisic_acid","bmse000200",3,150.3577,2.71
"homogentisic_acid","bmse000200",4,128.3103,4.07
"homogentisic_acid","bmse000200",5,120.3611,12.12
"homogentisic_acid","bmse000200",6,119.7948,12.5
"homogentisic_acid","bmse000200",7,117.1989,12.11
"homogentisic_acid","bmse000200",8,42.6626,11.69
"isonicotinic_acid","bmse000133",1,152.265,11.27
"isonicotinic_acid","bmse000133",2,143.3482,1.49
"isonicotinic_acid","bmse000133",3,124.3227,12.5
"homovanillic_acid","bmse000132",1,184.0342,2.31
"homovanillic_acid","bmse000132",2,149.9125,2.75
"homovanillic_acid","bmse000132",3,145.8277,2.64
"homovanillic_acid","bmse000132",4,132.7556,4.92
"homovanillic_acid","bmse000132",5,124.6363,12.01
"homovanillic_acid","bmse000132",6,118.1634,12.5
"homovanillic_acid","bmse000132",7,116.1596,11.86
"homovanillic_acid","bmse000132",8,58.5972,11.89
"homovanillic_acid","bmse000132",9,46.5865,11.75
"cyanuric_acid","bmse000135",1,158.7585,12.5
"ethacrynic_acid","bmse000134",1,202.3118,4.43
"ethacrynic_acid","bmse000134",2,177.9826,5
"ethacrynic_acid","bmse000134",3,158.7271,7.04
"ethacrynic_acid","bmse000134",4,152.4416,9.11
"ethacrynic_acid","bmse000134",5,134.6377,7.45
"ethacrynic_acid","bmse000134",6,134.3055,7.14
"ethacrynic_acid","bmse000134",7,133.1034,4.2
"ethacrynic_acid","bmse000134",8,130.6445,11.98
"ethacrynic_acid","bmse000134",9,124.6188,3.16
"ethacrynic_acid","bmse000134",10,113.5528,12.1
"ethacrynic_acid","bmse000134",11,70.3721,12.5
"ethacrynic_acid","bmse000134",12,25.8093,12.14
"ethacrynic_acid","bmse000134",13,14.5372,10.57
"itaconic_acid","bmse000137",1,183.4319,1.66
"itaconic_acid","bmse000137",2,144.4598,3.08
"itaconic_acid","bmse000137",3,124.7498,11.94
"itaconic_acid","bmse000137",4,44.7199,12.5
"amygdalin","bmse000139",1,135.1591,3.04
"amygdalin","bmse000139",2,133.2211,4.82
"amygdalin","bmse000139",3,132.0805,12.5
"amygdalin","bmse000139",4,130.5071,12.26
"amygdalin","bmse000139",5,121.2539,2.79
"amygdalin","bmse000139",6,105.5549,5
"amygdalin","bmse000139",7,104.1485,4.67
"amygdalin","bmse000139",8,78.6035,5.33
"amygdalin","bmse000139",9,78.2945,5.19
"amygdalin","bmse000139",10,78.182,4.9
"amygdalin","bmse000139",11,78.0819,4.95
"amygdalin","bmse000139",12,75.9,5.09
"amygdalin","bmse000139",13,75.4567,4.78
"amygdalin","bmse000139",14,72.369,5.36
"amygdalin","bmse000139",15,71.8621,4.67
"amygdalin","bmse000139",16,71.7644,5.77
"amygdalin","bmse000139",17,70.9831,3.34
"amygdalin","bmse000139",18,63.4233,3.79
"D_cellobiose","bmse000138",1,105.2663,8.21
"D_cellobiose","bmse000138",2,105.2381,5.61
"D_cellobiose","bmse000138",3,98.4528,7.32
"D_cellobiose","bmse000138",4,94.5197,4.61
"D_cellobiose","bmse000138",5,81.4215,4.68
"D_cellobiose","bmse000138",6,81.2838,7.67
"D_cellobiose","bmse000138",7,78.6932,12.12
"D_cellobiose","bmse000138",8,78.1874,12.5
"D_cellobiose","bmse000138",9,77.5013,7.76
"D_cellobiose","bmse000138",10,76.9856,7.78
"D_cellobiose","bmse000138",11,76.5907,7.38
"D_cellobiose","bmse000138",12,75.8703,9.08
"D_cellobiose","bmse000138",13,74.0348,4.8
"D_cellobiose","bmse000138",14,73.925,5.13
"D_cellobiose","bmse000138",15,72.8163,4.72
"D_cellobiose","bmse000138",16,72.1615,6.12
"D_cellobiose","bmse000138",17,72.1439,8.59
"D_cellobiose","bmse000138",18,63.2643,6.56
"D_cellobiose","bmse000138",19,62.74,5.36
"D_cellobiose","bmse000138",20,62.606,3.56
"gamma_D_galactonolactone","bmse000141",1,178.7234,2.86
"gamma_D_galactonolactone","bmse000141",2,82.7298,12.5
"gamma_D_galactonolactone","bmse000141",3,76.4007,12.48
"gamma_D_galactonolactone","bmse000141",4,75.5187,12.19
"gamma_D_galactonolactone","bmse000141",5,74.2346,3.63
"gamma_D_galactonolactone","bmse000141",6,74.0161,3.26
"gamma_D_galactonolactone","bmse000141",7,72.7812,3.45
"gamma_D_galactonolactone","bmse000141",8,72.4324,3.36
"gamma_D_galactonolactone","bmse000141",9,71.5773,12.34
"gamma_D_galactonolactone","bmse000141",10,66.0277,3.07
"gamma_D_galactonolactone","bmse000141",11,64.6899,11.19
"D_glucuronate","bmse000140",1,179.6525,1.52
"D_glucuronate","bmse000140",2,178.6724,2.78
"D_glucuronate","bmse000140",3,98.5755,11.73
"D_glucuronate","bmse000140",4,94.8123,7.69
"D_glucuronate","bmse000140",5,78.959,12.5
"D_glucuronate","bmse000140",6,78.2467,11.99
"D_glucuronate","bmse000140",7,76.6906,11.59
"D_glucuronate","bmse000140",8,75.2591,7.37
"D_glucuronate","bmse000140",9,74.8051,6.93
"D_glucuronate","bmse000140",10,74.5748,8
"D_glucuronate","bmse000140",11,74.5431,12.46
"D_glucuronate","bmse000140",12,73.9985,7.55
"L_gulonolactone","bmse000235",1,180.7006,2.42
"L_gulonolactone","bmse000235",2,84.0626,11.74
"L_gulonolactone","bmse000235",3,76.1965,2.96
"L_gulonolactone","bmse000235",4,75.331,3.02
"L_gulonolactone","bmse000235",5,74.9955,3.01
"L_gulonolactone","bmse000235",6,73.5223,12.5
"L_gulonolactone","bmse000235",7,73.1631,3.21
"L_gulonolactone","bmse000235",8,72.7983,12.19
"L_gulonolactone","bmse000235",9,72.2798,12.42
"L_gulonolactone","bmse000235",10,65.2205,2.74
"L_gulonolactone","bmse000235",11,64.1843,11.09
"glycogen","bmse000232",1,102.5103,8.96
"glycogen","bmse000232",2,79.5505,5.53
"glycogen","bmse000232",3,75.5834,9.32
"glycogen","bmse000232",4,74.2061,12.5
"glycogen","bmse000232",5,72.0454,4.53
"glycogen","bmse000232",6,63.2055,9.29
"melibiose","bmse000233",1,100.9084,5.19
"melibiose","bmse000233",2,100.8632,7.98
"melibiose","bmse000233",3,98.7735,7.66
"melibiose","bmse000233",4,94.8931,4.76
"melibiose","bmse000233",5,78.5818,7.97
"melibiose","bmse000233",6,77.0484,7.73
"melibiose","bmse000233",7,76.7428,7.76
"melibiose","bmse000233",8,75.6402,4.58
"melibiose","bmse000233",9,74.1149,4.63
"melibiose","bmse000233",10,73.6528,8.49
"melibiose","bmse000233",11,72.7893,4.29
"melibiose","bmse000233",12,72.267,4.52
"melibiose","bmse000233",13,72.1674,11.07
"melibiose","bmse000233",14,72.1167,8.55
"melibiose","bmse000233",15,71.8963,12.5
"melibiose","bmse000233",16,71.1803,5.19
"melibiose","bmse000233",17,71.1491,7.83
"melibiose","bmse000233",18,68.5995,3.44
"melibiose","bmse000233",19,68.5046,5.7
"melibiose","bmse000233",20,63.7983,7.42
"D_glucono_1_5_lactone","bmse000230",1,181.2312,2.98
"D_glucono_1_5_lactone","bmse000230",2,76.6877,12.5
"D_glucono_1_5_lactone","bmse000230",3,75.204,12.42
"D_glucono_1_5_lactone","bmse000230",4,73.8622,12.42
"D_glucono_1_5_lactone","bmse000230",5,73.6372,12.42
"D_glucono_1_5_lactone","bmse000230",6,65.3046,10.99
"N_acetyl_D_glucosamine","bmse000231",1,177.4899,2.8
"N_acetyl_D_glucosamine","bmse000231",2,177.2462,4.07
"N_acetyl_D_glucosamine","bmse000231",3,97.6343,8.26
"N_acetyl_D_glucosamine","bmse000231",4,93.5456,12.5
"N_acetyl_D_glucosamine","bmse000231",5,78.6606,9.02
"N_acetyl_D_glucosamine","bmse000231",6,76.5921,8.56
"N_acetyl_D_glucosamine","bmse000231",7,74.2719,12.4
"N_acetyl_D_glucosamine","bmse000231",8,73.3628,12.21
"N_acetyl_D_glucosamine","bmse000231",9,72.7507,12.34
"N_acetyl_D_glucosamine","bmse000231",10,72.5242,8.84
"N_acetyl_D_glucosamine","bmse000231",11,63.4249,7.22
"N_acetyl_D_glucosamine","bmse000231",12,63.2564,10.49
"N_acetyl_D_glucosamine","bmse000231",13,59.3824,8.25
"N_acetyl_D_glucosamine","bmse000231",14,56.8002,11.86
"N_acetyl_D_glucosamine","bmse000231",15,24.8865,6.38
"N_acetyl_D_glucosamine","bmse000231",16,24.609,9.19
"polygalacturonic_acid","bmse000228",1,178.1914,12.5
"polygalacturonic_acid","bmse000228",2,101.6522,9.97
"polygalacturonic_acid","bmse000228",3,80.5569,9.65
"polygalacturonic_acid","bmse000228",4,73.9772,8.45
"polygalacturonic_acid","bmse000228",5,71.4996,8.28
"polygalacturonic_acid","bmse000228",6,70.7598,8.29
"polygalacturonic_acid","bmse000228",7,26.4074,3.65
"D_saccharate","bmse000239",1,181.3679,2.13
"D_saccharate","bmse000239",2,181.237,1.95
"D_saccharate","bmse000239",3,76.4264,11.96
"D_saccharate","bmse000239",4,76.4165,12.5
"D_saccharate","bmse000239",5,76.2846,9.51
"D_saccharate","bmse000239",6,74.3621,9.95
"stachyose","bmse000240",1,106.5168,12.21
"stachyose","bmse000240",2,101.06,8.92
"stachyose","bmse000240",3,100.7169,10.76
"stachyose","bmse000240",4,94.8219,8.89
"stachyose","bmse000240",5,84.0524,9.16
"stachyose","bmse000240",6,78.9976,9.04
"stachyose","bmse000240",7,76.6795,9.2
"stachyose","bmse000240",8,75.4111,9
"stachyose","bmse000240",9,73.9757,8.23
"stachyose","bmse000240",10,73.7006,10.47
"stachyose","bmse000240",11,73.6476,9.63
"stachyose","bmse000240",12,72.1972,12.5
"stachyose","bmse000240",13,72.173,10.25
"stachyose","bmse000240",14,72.0684,10.06
"stachyose","bmse000240",15,72.0362,10.92
"stachyose","bmse000240",16,71.9303,12.49
"stachyose","bmse000240",17,71.5019,8.73
"stachyose","bmse000240",18,71.1393,9.07
"stachyose","bmse000240",19,70.9835,10.63
"stachyose","bmse000240",20,69.1734,6.48
"stachyose","bmse000240",21,68.5201,5.87
"stachyose","bmse000240",22,65.1886,8.65
"stachyose","bmse000240",23,64.0756,7.23
"stachyose","bmse000240",24,63.8499,10.36
"L_tartaric_acid","bmse000167",1,181.2992,12.5
"D_xylonate_cadmium","bmse000166",1,181.2863,3.14
"D_xylonate_cadmium","bmse000166",2,75.334,10.18
"D_xylonate_cadmium","bmse000166",3,75.0844,12.5
"D_xylonate_cadmium","bmse000166",4,65.059,9.59
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",1,177.4252,6.68
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",2,95.4941,6.42
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",3,95.4396,6.74
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",4,74.801,12.35
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",5,74.139,11.43
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",6,72.7232,12.5
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",7,63.4049,10.26
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",8,60.1376,1.31
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",9,56.8998,5.8
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",10,56.8264,6.12
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",11,24.8578,11.78
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",12,19.5062,1.22
"L_ornithine","bmse000162",1,177.052,2.52
"L_ornithine","bmse000162",2,56.8032,12.42
"L_ornithine","bmse000162",3,41.5581,10.67
"L_ornithine","bmse000162",4,30.183,12.5
"L_ornithine","bmse000162",5,25.4674,10.78
"D_alanine","bmse000236",1,178.5839,1.59
"D_alanine","bmse000236",2,53.2011,9.79
"D_alanine","bmse000236",3,18.8519,12.5
"4_nitrophenol","bmse000223",1,130.0111,12.5
"4_nitrophenol","bmse000223",2,129.9947,12.29
"4_nitrophenol","bmse000223",3,120.3011,8.51
"4_nitrophenol","bmse000223",4,120.2591,10.79
"D_L_glyceraldehyde","bmse000225",1,92.4597,11.03
"D_L_glyceraldehyde","bmse000225",2,76.7639,11.48
"D_L_glyceraldehyde","bmse000225",3,64.6759,12.5
"4_hydroxycinnamic_acid","bmse000150",1,178.908,1.38
"4_hydroxycinnamic_acid","bmse000150",2,159.818,1.85
"4_hydroxycinnamic_acid","bmse000150",3,143.5246,4.55
"4_hydroxycinnamic_acid","bmse000150",4,132.2994,11.74
"4_hydroxycinnamic_acid","bmse000150",5,130.1932,2.25
"4_hydroxycinnamic_acid","bmse000150",6,124.1229,4.91
"4_hydroxycinnamic_acid","bmse000150",7,118.5321,12.5
"alpha_D_galactose_1_phosphate","bmse000151",1,96.62,5.96
"alpha_D_galactose_1_phosphate","bmse000151",2,96.566,5.93
"alpha_D_galactose_1_phosphate","bmse000151",3,73.8281,11.4
"alpha_D_galactose_1_phosphate","bmse000151",4,72.304,10.42
"alpha_D_galactose_1_phosphate","bmse000151",5,72.1558,12.5
"alpha_D_galactose_1_phosphate","bmse000151",6,71.7402,5.87
"alpha_D_galactose_1_phosphate","bmse000151",7,71.6737,5.84
"alpha_D_galactose_1_phosphate","bmse000151",8,64.0705,10.09
"dAMP","bmse000250",1,155.0627,3.71
"dAMP","bmse000250",2,142.9366,3.42
"dAMP","bmse000250",3,90.1821,11.54
"dAMP","bmse000250",4,87.3797,7.1
"dAMP","bmse000250",5,74.0139,10.26
"dAMP","bmse000250",6,64.4148,12.5
"dAMP","bmse000250",7,41.7694,7.82
"Oxalosuccinate","bmse000251",1,184.1371,2.15
"Oxalosuccinate","bmse000251",2,172.7664,1.95
"Oxalosuccinate","bmse000251",3,52.8383,1.48
"Oxalosuccinate","bmse000251",4,38.5758,5.93
"Oxalosuccinate","bmse000251",5,38.454,1.48
"Oxalosuccinate","bmse000251",6,38.2644,1.54
"Oxalosuccinate","bmse000251",7,38.0683,1.39
"Oxalosuccinate","bmse000251",8,36.9355,3.83
"Oxalosuccinate","bmse000251",9,35.3007,1.19
"Oxalosuccinate","bmse000251",10,34.9692,1.16
"Oxalosuccinate","bmse000251",11,33.3147,5.48
"Oxalosuccinate","bmse000251",12,33.2611,6.95
"Oxalosuccinate","bmse000251",13,33.2048,12.5
"Oxalosuccinate","bmse000251",14,25.9719,1.99
"Salicylate","bmse000252",1,178.336,1.8
"Salicylate","bmse000252",2,162.3095,1.9
"Salicylate","bmse000252",3,136.7054,12.5
"Salicylate","bmse000252",4,133.2002,11.8
"Salicylate","bmse000252",5,122.0978,11.69
"Salicylate","bmse000252",6,120.713,2.32
"Salicylate","bmse000252",7,119.007,12.31
"dADP","bmse000253",1,158.1421,4.9
"dADP","bmse000253",2,155.3005,9.18
"dADP","bmse000253",3,151.2181,2.23
"dADP","bmse000253",4,142.6258,3.6
"dADP","bmse000253",5,121.1832,1.88
"dADP","bmse000253",6,88.4189,5.03
"dADP","bmse000253",7,88.3329,5.02
"dADP","bmse000253",8,86.1412,10.03
"dADP","bmse000253",9,73.3197,12.5
"dADP","bmse000253",10,67.3652,4.1
"dADP","bmse000253",11,67.3129,3.98
"dADP","bmse000253",12,41.5514,9.81
"D_Fructose_1_phosphate","bmse000254",1,100.8301,3.74
"D_Fructose_1_phosphate","bmse000254",2,100.7578,3.97
"D_Fructose_1_phosphate","bmse000254",3,83.1443,1.21
"D_Fructose_1_phosphate","bmse000254",4,78.79,1.8
"D_Fructose_1_phosphate","bmse000254",5,76.8304,1.21
"D_Fructose_1_phosphate","bmse000254",6,72.0493,12.5
"D_Fructose_1_phosphate","bmse000254",7,71.8351,11.69
"D_Fructose_1_phosphate","bmse000254",8,70.5098,12.35
"D_Fructose_1_phosphate","bmse000254",9,68.9967,5.19
"D_Fructose_1_phosphate","bmse000254",10,68.9492,5.25
"D_Fructose_1_phosphate","bmse000254",11,66.0887,9.73
"D_Fructose_1_phosphate","bmse000254",12,64.969,2.12
"D_Fructose_1_phosphate","bmse000254",13,64.1264,1.29
"ITP","bmse000255",1,161.4399,4.25
"ITP","bmse000255",2,151.5943,2.62
"ITP","bmse000255",3,149.0201,9.65
"ITP","bmse000255",4,142.5226,5.74
"ITP","bmse000255",5,126.3562,2.24
"ITP","bmse000255",6,90.276,1.56
"ITP","bmse000255",7,89.9312,10.81
"ITP","bmse000255",8,86.8306,5.65
"ITP","bmse000255",9,86.7415,5.81
"ITP","bmse000255",10,77.2254,2.18
"ITP","bmse000255",11,77.1273,12.5
"ITP","bmse000255",12,72.8596,11.68
"ITP","bmse000255",13,72.5243,2.14
"ITP","bmse000255",14,67.7479,4.35
"ITP","bmse000255",15,67.695,4.23
"Formaldehyde","bmse000256",1,84.4358,12.5
"FMN","bmse000257",1,163.2526,6.78
"FMN","bmse000257",2,160.3175,7.33
"FMN","bmse000257",3,153.429,6.6
"FMN","bmse000257",4,152.3129,4.11
"FMN","bmse000257",5,142.1584,7.18
"FMN","bmse000257",6,136.6282,6.86
"FMN","bmse000257",7,136.1877,6.82
"FMN","bmse000257",8,134.1083,4
"FMN","bmse000257",9,132.8224,4.98
"FMN","bmse000257",10,119.7064,4.78
"FMN","bmse000257",11,75.2209,6.14
"FMN","bmse000257",12,74.4868,3.9
"FMN","bmse000257",13,74.4237,3.92
"FMN","bmse000257",14,72.0087,6.36
"FMN","bmse000257",15,67.8012,3.52
"FMN","bmse000257",16,50.1474,2.93
"FMN","bmse000257",17,23.466,11.62
"FMN","bmse000257",18,21.3437,12.5
"Glycolaldehyde","bmse000258",1,92.374,9.81
"Glycolaldehyde","bmse000258",2,67.1623,12.5
"4_Hydroxybenzaldehyde","bmse000259",1,197.0798,3.76
"4_Hydroxybenzaldehyde","bmse000259",2,136.1538,9.71
"4_Hydroxybenzaldehyde","bmse000259",3,129.545,1.03
"4_Hydroxybenzaldehyde","bmse000259",4,119.8609,12.5
"Nicotinamide_D_ribonucleotide","bmse000260",1,175.8236,3.35
"Nicotinamide_D_ribonucleotide","bmse000260",2,141.0654,10.52
"Nicotinamide_D_ribonucleotide","bmse000260",3,127.6138,9.12
"Nicotinamide_D_ribonucleotide","bmse000260",4,108.182,10.66
"Nicotinamide_D_ribonucleotide","bmse000260",5,103.4044,6.52
"Nicotinamide_D_ribonucleotide","bmse000260",6,103.1839,1.61
"Nicotinamide_D_ribonucleotide","bmse000260",7,97.6396,11.48
"Nicotinamide_D_ribonucleotide","bmse000260",8,85.9422,6.34
"Nicotinamide_D_ribonucleotide","bmse000260",9,85.8555,6.04
"Nicotinamide_D_ribonucleotide","bmse000260",10,80.4925,1.81
"Nicotinamide_D_ribonucleotide","bmse000260",11,74.2063,1.79
"Nicotinamide_D_ribonucleotide","bmse000260",12,73.4952,12.5
"Nicotinamide_D_ribonucleotide","bmse000260",13,73.3372,12.21
"Nicotinamide_D_ribonucleotide","bmse000260",14,66.7617,5.06
"Nicotinamide_D_ribonucleotide","bmse000260",15,66.7167,4.78
"Nicotinamide_D_ribonucleotide","bmse000260",16,24.6964,9.6
"Acetyl_phosphate","bmse000261",1,175.0096,3.44
"Acetyl_phosphate","bmse000261",2,25.9801,10.24
"Acetyl_phosphate","bmse000261",3,24.7883,12.5
"Acetyl_phosphate","bmse000261",4,24.7425,11.1
"3_4_Hydroxyphenyl_pyruvate","bmse000262",1,157.3242,1.3
"3_4_Hydroxyphenyl_pyruvate","bmse000262",2,133.865,7.91
"3_4_Hydroxyphenyl_pyruvate","bmse000262",3,118.3826,12.5
"3_4_Hydroxyphenyl_pyruvate","bmse000262",4,117.7478,1.45
"NADP","bmse000263",1,167.8496,4.47
"NADP","bmse000263",2,158.1147,5.39
"NADP","bmse000263",3,155.428,9.01
"NADP","bmse000263",4,151.6757,5.76
"NADP","bmse000263",5,148.3745,7.75
"NADP","bmse000263",6,145.0167,6.29
"NADP","bmse000263",7,142.8886,8.29
"NADP","bmse000263",8,142.5477,5.92
"NADP","bmse000263",9,136.304,8.28
"NADP","bmse000263",10,131.3453,8.51
"NADP","bmse000263",11,121.1612,3.82
"NADP","bmse000263",12,102.729,11.11
"NADP","bmse000263",13,89.8221,5.86
"NADP","bmse000263",14,89.7336,5.64
"NADP","bmse000263",15,89.2538,5.26
"NADP","bmse000263",16,89.1719,5.28
"NADP","bmse000263",17,85.7472,5.48
"NADP","bmse000263",18,85.6577,5.52
"NADP","bmse000263",19,80.3221,12.5
"NADP","bmse000263",20,78.7636,5.55
"NADP","bmse000263",21,78.722,5.71
"NADP","bmse000263",22,73.3731,12.23
"NADP","bmse000263",23,72.7335,7.06
"NADP","bmse000263",24,68.2193,4.11
"NADP","bmse000263",25,67.6754,4.43
"NADP","bmse000263",26,57.0544,1.98
"4_Nitrophenyl_phosphate","bmse000264",1,163.0405,1.08
"4_Nitrophenyl_phosphate","bmse000264",2,144.5179,1.04
"4_Nitrophenyl_phosphate","bmse000264",3,128.4131,12.5
"4_Nitrophenyl_phosphate","bmse000264",4,122.6671,7.06
"4_Nitrophenyl_phosphate","bmse000264",5,122.6148,7.04
"4_Nitrocatechol","bmse000265",1,164.1278,1.69
"4_Nitrocatechol","bmse000265",2,148.5107,2.32
"4_Nitrocatechol","bmse000265",3,138.4594,1.3
"4_Nitrocatechol","bmse000265",4,122.9045,11.12
"4_Nitrocatechol","bmse000265",5,118.6529,12.08
"4_Nitrocatechol","bmse000265",6,112.45,12.5
"UDP","bmse000266",1,169.0888,5
"UDP","bmse000266",2,154.545,3.74
"UDP","bmse000266",3,144.5243,8.52
"UDP","bmse000266",4,105.234,10.35
"UDP","bmse000266",5,91.4445,11.2
"UDP","bmse000266",6,85.9024,5.62
"UDP","bmse000266",7,85.8136,5.66
"UDP","bmse000266",8,76.5959,12.5
"UDP","bmse000266",9,71.8259,11.92
"UDP","bmse000266",10,66.8315,4.4
"UDP","bmse000266",11,66.7792,4.54
"Formamide","bmse000267",1,169.4492,12.5
"R_Lactate","bmse000269",1,185.265,2.92
"R_Lactate","bmse000269",2,71.1978,10.49
"R_Lactate","bmse000269",3,22.7641,12.5
"GDP","bmse000270",1,161.6068,4.89
"GDP","bmse000270",2,156.6326,5.27
"GDP","bmse000270",3,154.1538,4.67
"GDP","bmse000270",4,140.2801,1.14
"GDP","bmse000270",5,140.1096,6.84
"GDP","bmse000270",6,118.7579,3.69
"GDP","bmse000270",7,89.8065,11.14
"GDP","bmse000270",8,86.2198,5.66
"GDP","bmse000270",9,86.132,5.77
"GDP","bmse000270",10,76.7534,12.5
"GDP","bmse000270",11,72.5131,12.28
"GDP","bmse000270",12,67.1729,4.45
"GDP","bmse000270",13,67.1215,4.26
"CoA","bmse000271",1,177.6817,2.7
"CoA","bmse000271",2,177.4294,8.2
"CoA","bmse000271",3,176.8233,2.08
"CoA","bmse000271",4,176.7106,6.6
"CoA","bmse000271",5,158.389,5.21
"CoA","bmse000271",6,155.6654,8.04
"CoA","bmse000271",7,155.5753,5.97
"CoA","bmse000271",8,152.1398,5.55
"CoA","bmse000271",9,152.0219,2.76
"CoA","bmse000271",10,142.9347,4.88
"CoA","bmse000271",11,142.6212,6.68
"CoA","bmse000271",12,121.3186,3.76
"CoA","bmse000271",13,89.3885,6.08
"CoA","bmse000271",14,89.1901,9.09
"CoA","bmse000271",15,87.3585,1.54
"CoA","bmse000271",16,87.3087,1.85
"CoA","bmse000271",17,87.2237,1.74
"CoA","bmse000271",18,86.8498,2.3
"CoA","bmse000271",19,86.7595,2.57
"CoA","bmse000271",20,85.3884,1.1
"CoA","bmse000271",21,79.6453,1.28
"CoA","bmse000271",22,79.1396,1.19
"CoA","bmse000271",23,78.2226,1.22
"CoA","bmse000271",24,77.5422,4.25
"CoA","bmse000271",25,77.2177,3.82
"CoA","bmse000271",26,77.1851,3.69
"CoA","bmse000271",27,76.9949,5.4
"CoA","bmse000271",28,76.9604,4.74
"CoA","bmse000271",29,76.7805,9.52
"CoA","bmse000271",30,76.4673,4.19
"CoA","bmse000271",31,76.4236,8.22
"CoA","bmse000271",32,76.3796,5.46
"CoA","bmse000271",33,74.5542,4.24
"CoA","bmse000271",34,74.4922,3.65
"CoA","bmse000271",35,73.328,2.2
"CoA","bmse000271",36,73.2765,1.86
"CoA","bmse000271",37,68.4744,3.83
"CoA","bmse000271",38,68.4222,3.88
"CoA","bmse000271",39,66.6691,2.47
"CoA","bmse000271",40,66.6238,2.86
"CoA","bmse000271",41,45.0428,4.93
"CoA","bmse000271",42,44.9976,11.76
"CoA","bmse000271",43,44.9048,1.18
"CoA","bmse000271",44,41.1259,2.81
"CoA","bmse000271",45,41.0359,6.14
"CoA","bmse000271",46,40.9558,6.01
"CoA","bmse000271",47,40.7593,1.76
"CoA","bmse000271",48,39.1263,1.74
"CoA","bmse000271",49,38.2973,1.72
"CoA","bmse000271",50,38.1621,9.87
"CoA","bmse000271",51,38.0817,9.25
"CoA","bmse000271",52,25.7997,12.5
"CoA","bmse000271",53,24.0869,1.45
"CoA","bmse000271",54,23.9984,3.96
"CoA","bmse000271",55,23.5128,8.93
"CoA","bmse000271",56,22.6789,1.36
"CoA","bmse000271",57,20.9419,3.81
"CoA","bmse000271",58,20.7819,9.63
"CoA","bmse000271",59,20.1012,1.78
"CDP","bmse000272",1,168.8761,4.9
"CDP","bmse000272",2,160.4002,4.39
"CDP","bmse000272",3,144.5698,1.09
"CDP","bmse000272",4,144.266,8.55
"CDP","bmse000272",5,99.3648,1.46
"CDP","bmse000272",6,99.2242,9.38
"CDP","bmse000272",7,92.2295,11.24
"CDP","bmse000272",8,91.8456,1.72
"CDP","bmse000272",9,85.3396,5.74
"CDP","bmse000272",10,85.2502,5.69
"CDP","bmse000272",11,77.0076,12.5
"CDP","bmse000272",12,72.3706,1.47
"CDP","bmse000272",13,71.4858,12.07
"CDP","bmse000272",14,66.6366,4.51
"CDP","bmse000272",15,66.5841,4.41
"D_Aspartate","bmse000273",1,180.3052,2.2
"D_Aspartate","bmse000273",2,177.0122,1.98
"D_Aspartate","bmse000273",3,54.9072,9.91
"D_Aspartate","bmse000273",4,39.2644,12.5
"Thiamin","bmse000274",1,171.726,5.58
"Thiamin","bmse000274",2,164.5163,3.11
"Thiamin","bmse000274",3,159.8969,10.99
"Thiamin","bmse000274",4,145.552,3.59
"Thiamin","bmse000274",5,138.7379,4.97
"Thiamin","bmse000274",6,107.1899,6.29
"Thiamin","bmse000274",7,63.1255,12.5
"Thiamin","bmse000274",8,53.7574,10.69
"Thiamin","bmse000274",9,31.9248,12.41
"Thiamin","bmse000274",10,26.7632,11.25
"Thiamin","bmse000274",11,13.8517,12.02
"D_Fructose_2_6_bisphosphate","bmse000275",1,106.8714,4.79
"D_Fructose_2_6_bisphosphate","bmse000275",2,106.8017,4.74
"D_Fructose_2_6_bisphosphate","bmse000275",3,82.9825,6.41
"D_Fructose_2_6_bisphosphate","bmse000275",4,82.912,6.28
"D_Fructose_2_6_bisphosphate","bmse000275",5,80.0513,6.58
"D_Fructose_2_6_bisphosphate","bmse000275",6,80.0052,6.39
"D_Fructose_2_6_bisphosphate","bmse000275",7,78.0543,12.5
"D_Fructose_2_6_bisphosphate","bmse000275",8,68.3553,5.53
"D_Fructose_2_6_bisphosphate","bmse000275",9,68.3079,5.71
"D_Fructose_2_6_bisphosphate","bmse000275",10,65.2002,7.1
"D_Fructose_2_6_bisphosphate","bmse000275",11,60.1397,1.11
"D_Fructose_2_6_bisphosphate","bmse000275",12,19.51,1.19
"Ethanolamine","bmse000276",1,60.3171,12.5
"Ethanolamine","bmse000276",2,43.9507,8.05
"CTP","bmse000277",1,168.8983,5.15
"CTP","bmse000277",2,160.5208,4.42
"CTP","bmse000277",3,144.2311,8.6
"CTP","bmse000277",4,99.3524,9.52
"CTP","bmse000277",5,91.8085,11.04
"CTP","bmse000277",6,85.501,5.68
"CTP","bmse000277",7,85.4107,5.57
"CTP","bmse000277",8,77.0203,1.35
"CTP","bmse000277",9,76.8989,12.5
"CTP","bmse000277",10,71.7933,11.89
"CTP","bmse000277",11,71.4631,1.06
"CTP","bmse000277",12,67.272,4.2
"CTP","bmse000277",13,67.2177,4.39
"D_Ribulose_5_phosphate","bmse000278",1,103.8241,7.82
"D_Ribulose_5_phosphate","bmse000278",2,98.9771,2.24
"D_Ribulose_5_phosphate","bmse000278",3,85.3023,1.6
"D_Ribulose_5_phosphate","bmse000278",4,84.6704,3.81
"D_Ribulose_5_phosphate","bmse000278",5,84.5875,4.13
"D_Ribulose_5_phosphate","bmse000278",6,78.03,9.99
"D_Ribulose_5_phosphate","bmse000278",7,73.4112,12.5
"D_Ribulose_5_phosphate","bmse000278",8,72.931,3.83
"D_Ribulose_5_phosphate","bmse000278",9,67.3547,5.39
"D_Ribulose_5_phosphate","bmse000278",10,67.3093,5.5
"D_Ribulose_5_phosphate","bmse000278",11,66.4813,2.3
"Urocanate","bmse000279",1,178.6198,2.5
"Urocanate","bmse000279",2,140.3626,11.29
"Urocanate","bmse000279",3,137.0776,2.14
"Urocanate","bmse000279",4,133.668,10.36
"Urocanate","bmse000279",5,124.4849,12.5
"Urocanate","bmse000279",6,123.9802,8.38
"UMP","bmse000280",1,169.0839,4.57
"UMP","bmse000280",2,154.6578,3.41
"UMP","bmse000280",3,144.8275,8.54
"UMP","bmse000280",4,105.3924,10.43
"UMP","bmse000280",5,91.006,11.31
"UMP","bmse000280",6,86.9204,5.97
"UMP","bmse000280",7,86.8326,6.05
"UMP","bmse000280",8,76.6643,12.5
"UMP","bmse000280",9,72.7729,12.16
"UMP","bmse000280",10,65.9126,4.79
"UMP","bmse000280",11,65.8681,4.9
"Nicotinamide","bmse000281",1,154.5266,12.5
"Nicotinamide","bmse000281",2,150.344,11.49
"Nicotinamide","bmse000281",3,139.1539,11.48
"Nicotinamide","bmse000281",4,131.9398,1.76
"Nicotinamide","bmse000281",5,126.9235,10.76
"DL_Alanine","bmse000282",1,178.5738,1.77
"DL_Alanine","bmse000282",2,53.2017,9.6
"DL_Alanine","bmse000282",3,18.85,12.5
"Orotate","bmse000283",1,104.064,12.5
"Benzonitrile","bmse000284",1,136.2019,8.6
"Benzonitrile","bmse000284",2,135.1116,12.5
"Benzonitrile","bmse000284",3,131.8912,12.48
"Choline","bmse000285",1,70.1479,3.39
"Choline","bmse000285",2,70.1177,3.59
"Choline","bmse000285",3,70.0875,3.34
"Choline","bmse000285",4,58.3089,8.06
"Choline","bmse000285",5,56.621,11.8
"Choline","bmse000285",6,56.5813,12.5
"Choline","bmse000285",7,56.542,12.01
"Acetophenone","bmse000286",1,136.8469,7.17
"Acetophenone","bmse000286",2,131.5104,12.5
"Acetophenone","bmse000286",3,131.2516,11.84
"Acetophenone","bmse000286",4,28.9711,3.47
"Pantothenate","bmse000287",1,183.0208,3.24
"Pantothenate","bmse000287",2,177.6531,4.02
"Pantothenate","bmse000287",3,78.4586,12.5
"Pantothenate","bmse000287",4,71.0985,10.81
"Pantothenate","bmse000287",5,41.2778,8.26
"Pantothenate","bmse000287",6,39.3779,10.45
"Pantothenate","bmse000287",7,38.8533,9.94
"Pantothenate","bmse000287",8,23.2349,9.96
"Pantothenate","bmse000287",9,21.8424,10.1
"Pyridoxine","bmse000288",1,163.4259,2.28
"Pyridoxine","bmse000288",2,146.9983,3.52
"Pyridoxine","bmse000288",3,141.4468,3.78
"Pyridoxine","bmse000288",4,138.1842,4.52
"Pyridoxine","bmse000288",5,127.4073,3.84
"Pyridoxine","bmse000288",6,61.4656,12.5
"Pyridoxine","bmse000288",7,58.6687,10.33
"Pyridoxine","bmse000288",8,18.2013,8.23
"S_Adenosyl_L_homocysteine","bmse000289",1,176.8876,4.61
"S_Adenosyl_L_homocysteine","bmse000289",2,158.3878,3.44
"S_Adenosyl_L_homocysteine","bmse000289",3,155.6615,9.39
"S_Adenosyl_L_homocysteine","bmse000289",4,151.6956,3.2
"S_Adenosyl_L_homocysteine","bmse000289",5,142.814,7.91
"S_Adenosyl_L_homocysteine","bmse000289",6,121.5644,2.04
"S_Adenosyl_L_homocysteine","bmse000289",7,90.125,10.63
"S_Adenosyl_L_homocysteine","bmse000289",8,90.0104,2.04
"S_Adenosyl_L_homocysteine","bmse000289",9,86.1029,11.9
"S_Adenosyl_L_homocysteine","bmse000289",10,75.9715,11.38
"S_Adenosyl_L_homocysteine","bmse000289",11,75.0004,12.5
"S_Adenosyl_L_homocysteine","bmse000289",12,56.4364,10.43
"S_Adenosyl_L_homocysteine","bmse000289",13,36.2065,8.4
"S_Adenosyl_L_homocysteine","bmse000289",14,33.1203,8.91
"S_Adenosyl_L_homocysteine","bmse000289",15,30.4627,9.14
"Phenol","bmse000290",1,132.703,11.87
"Phenol","bmse000290",2,123.3534,6.56
"Phenol","bmse000290",3,118.0886,12.5
"Selenomethionine","bmse000291",1,176.8764,2.7
"Selenomethionine","bmse000291",2,57.3265,11.71
"Selenomethionine","bmse000291",3,33.5106,11.73
"Selenomethionine","bmse000291",4,21.8408,12.5
"Selenomethionine","bmse000291",5,5.875,6.96
"UDPglucuronate","bmse000292",1,179.1513,4.63
"UDPglucuronate","bmse000292",2,169.0242,5.14
"UDPglucuronate","bmse000292",3,154.6097,3.93
"UDPglucuronate","bmse000292",4,144.2873,8.42
"UDPglucuronate","bmse000292",5,105.4108,10.1
"UDPglucuronate","bmse000292",6,98.1166,5.83
"UDPglucuronate","bmse000292",7,98.0506,5.78
"UDPglucuronate","bmse000292",8,91.0126,10.69
"UDPglucuronate","bmse000292",9,86.0368,5.52
"UDPglucuronate","bmse000292",10,85.9455,5.68
"UDPglucuronate","bmse000292",11,76.498,12.5
"UDPglucuronate","bmse000292",12,75.7603,10.99
"UDPglucuronate","bmse000292",13,75.2986,10.18
"UDPglucuronate","bmse000292",14,74.5675,11.19
"UDPglucuronate","bmse000292",15,74.1227,5.66
"UDPglucuronate","bmse000292",16,74.0395,5.54
"UDPglucuronate","bmse000292",17,72.367,11.96
"UDPglucuronate","bmse000292",18,67.7081,4.35
"UDPglucuronate","bmse000292",19,67.6532,4.54
"UDPglucuronate","bmse000292",20,60.142,1.01
"UDPglucuronate","bmse000292",21,19.5053,1.3
"Hydroquinone","bmse000293",1,151.6552,1.09
"Hydroquinone","bmse000293",2,119.0705,12.5
"Methanol","bmse000294",1,51.571,12.5
"Methanol","bmse000294",2,8.3835,1.29
"UTP","bmse000295",1,169.0527,4.84
"UTP","bmse000295",2,154.6305,3.56
"UTP","bmse000295",3,144.4685,8.62
"UTP","bmse000295",4,105.3558,9.9
"UTP","bmse000295",5,90.9803,10.91
"UTP","bmse000295",6,86.0794,5.45
"UTP","bmse000295",7,85.9897,5.66
"UTP","bmse000295",8,76.4645,12.5
"UTP","bmse000295",9,72.1667,11.59
"UTP","bmse000295",10,67.5196,4.26
"UTP","bmse000295",11,67.4644,4.32
"UTP","bmse000295",12,60.1427,1.1
"dTMP","bmse000296",1,169.2356,1.23
"dTMP","bmse000296",2,160.5265,1.29
"dTMP","bmse000296",3,154.4333,1.31
"dTMP","bmse000296",4,140.1216,3.35
"dTMP","bmse000296",5,114.2982,2.37
"dTMP","bmse000296",6,88.3382,2.04
"dTMP","bmse000296",7,88.2519,1.87
"dTMP","bmse000296",8,87.8416,3.66
"dTMP","bmse000296",9,73.7576,4.03
"dTMP","bmse000296",10,69.7071,3.43
"dTMP","bmse000296",11,69.6331,3.39
"dTMP","bmse000296",12,68.674,6.88
"dTMP","bmse000296",13,67.0077,1.54
"dTMP","bmse000296",14,66.9519,1.6
"dTMP","bmse000296",15,57.1741,5.62
"dTMP","bmse000296",16,50.7174,6.42
"dTMP","bmse000296",17,47.4494,6.5
"dTMP","bmse000296",18,41.3959,3.4
"dTMP","bmse000296",19,35.6124,12.5
"dTMP","bmse000296",20,27.378,11.97
"dTMP","bmse000296",21,27.3297,7.39
"dTMP","bmse000296",22,14.3887,4.03
"Ethanol","bmse000297",1,60.1347,10.57
"Ethanol","bmse000297",2,19.4922,12.5
"D_Glyceraldehyde","bmse000298",1,92.4619,11.47
"D_Glyceraldehyde","bmse000298",2,76.7643,11.97
"D_Glyceraldehyde","bmse000298",3,67.5383,2.02
"D_Glyceraldehyde","bmse000298",4,64.6757,12.5
"Folate","bmse000299",1,185.1947,10.02
"Folate","bmse000299",2,182.1813,8.33
"Folate","bmse000299",3,171.6618,6.23
"Folate","bmse000299",4,167.4706,1.1
"Folate","bmse000299",5,156.8561,3.58
"Folate","bmse000299",6,154.9662,1.2
"Folate","bmse000299",7,152.4534,5.63
"Folate","bmse000299",8,150.9644,2.57
"Folate","bmse000299",9,150.4027,4.37
"Folate","bmse000299",10,131.6987,1.03
"Folate","bmse000299",11,131.3015,7.38
"Folate","bmse000299",12,129.0129,4.84
"Folate","bmse000299",13,123.0856,5.17
"Folate","bmse000299",14,113.9108,6.41
"Folate","bmse000299",15,58.6333,8.76
"Folate","bmse000299",16,47.4239,2.98
"Folate","bmse000299",17,37.0651,12.5
"Folate","bmse000299",18,31.1742,7.87
"Benzoate","bmse000300",1,138.9121,1.04
"Benzoate","bmse000300",2,133.9731,7.03
"Benzoate","bmse000300",3,131.4957,12.46
"Benzoate","bmse000300",4,131.0181,12.5
"1_3_diaminopropane","bmse000001",1,39.3182,12.5
"1_3_diaminopropane","bmse000001",2,27.6038,6.62
"2_3_diphospho_D_glyceric_acid","bmse000002",1,180.6244,6.14
"2_3_diphospho_D_glyceric_acid","bmse000002",2,77.8926,9.81
"2_3_diphospho_D_glyceric_acid","bmse000002",3,77.8397,8.95
"2_3_diphospho_D_glyceric_acid","bmse000002",4,77.8017,8.58
"2_3_diphospho_D_glyceric_acid","bmse000002",5,77.7593,8.04
"2_3_diphospho_D_glyceric_acid","bmse000002",6,69.2089,12.5
"2_deoxyguanosine","bmse000003",1,140.4376,7.32
"2_deoxyguanosine","bmse000003",2,89.8652,7.61
"2_deoxyguanosine","bmse000003",3,86.6745,9.57
"2_deoxyguanosine","bmse000003",4,73.9059,12.5
"2_deoxyguanosine","bmse000003",5,64.3305,8.45
"2_deoxyguanosine","bmse000003",6,41.3976,8.86
"adenine","bmse000060",1,153.1875,0.8
"adenine","bmse000060",2,151.829,1.02
"adenine","bmse000060",3,147.5748,11.47
"adenine","bmse000060",4,146.3944,12.5
"adenine","bmse000060",5,118.324,0.66
"adenosine","bmse000061",1,155.2065,8.59
"adenosine","bmse000061",2,151.091,3.13
"adenosine","bmse000061",3,143.2708,6.58
"adenosine","bmse000061",4,91.0332,10.74
"adenosine","bmse000061",5,88.5401,11.36
"adenosine","bmse000061",6,76.3929,12.5
"adenosine","bmse000061",7,73.3525,11.01
"adenosine","bmse000061",8,64.2162,10.03
"adenosine","bmse000061",9,133.0864,1.07
"adonitol","bmse000062",1,74.8925,6.76
"adonitol","bmse000062",2,74.8008,11.44
"adonitol","bmse000062",3,65.0705,12.5
"ADP","bmse000004",1,158.1533,6.68
"ADP","bmse000004",2,155.4207,12.01
"ADP","bmse000004",3,151.6456,1.97
"ADP","bmse000004",4,151.5495,1.81
"ADP","bmse000004",5,142.8127,2.95
"ADP","bmse000004",6,142.5832,3.64
"ADP","bmse000004",7,121.1747,1.72
"ADP","bmse000004",8,89.778,10.17
"ADP","bmse000004",9,89.5551,6.01
"ADP","bmse000004",10,87.4621,3.15
"ADP","bmse000004",11,87.3746,3.43
"ADP","bmse000004",12,86.4858,4.81
"ADP","bmse000004",13,86.3979,5.28
"ADP","bmse000004",14,77.2288,6.53
"ADP","bmse000004",15,77.0622,12.5
"ADP","bmse000004",16,73.4056,6.43
"ADP","bmse000004",17,72.6057,12.04
"ADP","bmse000004",18,67.1794,3.82
"ADP","bmse000004",19,67.1297,3.91
"ADP","bmse000004",20,66.2518,2.61
"ADP","bmse000004",21,66.2091,2.71
"agmatine","bmse000063",1,159.5178,1.15
"agmatine","bmse000063",2,43.1542,9.26
"agmatine","bmse000063",3,41.7324,8.53
"agmatine","bmse000063",4,27.7024,11.07
"agmatine","bmse000063",5,26.715,12.5
"D_allose","bmse000008",1,96.1036,10.7
"D_allose","bmse000008",2,95.5286,1.55
"D_allose","bmse000008",3,76.2932,11.82
"D_allose","bmse000008",4,74.3841,1.58
"D_allose","bmse000008",5,73.9304,11.03
"D_allose","bmse000008",6,73.8513,12.02
"D_allose","bmse000008",7,69.7109,1.21
"D_allose","bmse000008",8,69.5516,1.22
"D_allose","bmse000008",9,69.4757,12.5
"D_allose","bmse000008",10,68.7507,2.03
"D_allose","bmse000008",11,63.8517,10.79
"D_allose","bmse000008",12,63.3663,1.24
"D_fructose","bmse000010",1,100.7878,2.8
"D_fructose","bmse000010",2,83.3844,4
"D_fructose","bmse000010",3,78.7409,1.35
"D_fructose","bmse000010",4,78.0833,3.23
"D_fructose","bmse000010",5,77.1431,3.97
"D_fructose","bmse000010",6,72.3808,12.5
"D_fructose","bmse000010",7,71.9017,10.92
"D_fructose","bmse000010",8,70.2559,10.72
"D_fructose","bmse000010",9,66.587,11.06
"D_fructose","bmse000010",10,66.0735,12.1
"D_fructose","bmse000010",11,65.3682,3.85
"D_fructose","bmse000010",12,65.074,4.07
"D_galactose","bmse000013",1,99.1714,10.5
"D_galactose","bmse000013",2,94.9986,5.59
"D_galactose","bmse000013",3,77.8681,12.5
"D_galactose","bmse000013",4,75.5121,11.36
"D_galactose","bmse000013",5,74.5893,11.5
"D_galactose","bmse000013",6,73.1956,6.08
"D_galactose","bmse000013",7,72.0185,5.93
"D_galactose","bmse000013",8,71.879,5.94
"D_galactose","bmse000013",9,71.4595,12.5
"D_galactose","bmse000013",10,71.0589,5.22
"D_galactose","bmse000013",11,63.8951,5.64
"D_galactose","bmse000013",12,63.6909,11.96
"D_glucose","bmse000015",1,98.6177,12.18
"D_glucose","bmse000015",2,94.8017,7.46
"D_glucose","bmse000015",3,78.6602,12.5
"D_glucose","bmse000015",4,78.46,12.38
"D_glucose","bmse000015",5,76.8429,11.94
"D_glucose","bmse000015",6,75.4621,6.95
"D_glucose","bmse000015",7,74.1868,7.96
"D_glucose","bmse000015",8,74.1521,7.85
"D_glucose","bmse000015",9,72.3476,7.59
"D_glucose","bmse000015",10,72.3041,12.25
"D_glucose","bmse000015",11,63.4496,11.55
"D_glucose","bmse000015",12,63.2877,6.43
"D_mannose","bmse000018",1,96.747,10.66
"D_mannose","bmse000018",2,96.3827,5.27
"D_mannose","bmse000018",3,78.8753,4.9
"D_mannose","bmse000018",4,75.7486,5.48
"D_mannose","bmse000018",5,75.1093,11.15
"D_mannose","bmse000018",6,73.9252,5.51
"D_mannose","bmse000018",7,73.3921,10.59
"D_mannose","bmse000018",8,72.9329,10.68
"D_mannose","bmse000018",9,69.5495,10.82
"D_mannose","bmse000018",10,69.3058,5.88
"D_mannose","bmse000018",11,63.666,12.5
"D_psicose","bmse000020",1,105.9793,2.62
"D_psicose","bmse000020",2,101.1482,2.31
"D_psicose","bmse000020",3,85.4184,12.5
"D_psicose","bmse000020",4,77.3405,2.67
"D_psicose","bmse000020",5,74.437,5.54
"D_psicose","bmse000020",6,73.7152,3.61
"D_psicose","bmse000020",7,73.0555,10.59
"D_psicose","bmse000020",8,73.0326,11.16
"D_psicose","bmse000020",9,72.9119,5.49
"D_psicose","bmse000020",10,71.7174,6.08
"D_psicose","bmse000020",11,68.562,7.08
"D_psicose","bmse000020",12,68.1859,7.9
"D_psicose","bmse000020",13,67.7838,6.98
"D_psicose","bmse000020",14,66.8844,6.45
"D_psicose","bmse000020",15,66.6778,4.36
"D_psicose","bmse000020",16,65.9583,9.93
"D_psicose","bmse000020",17,65.7568,6.2
"D_psicose","bmse000020",18,65.5148,3.26
"D_psicose","bmse000020",19,65.0727,3.8
"D_psicose","bmse000020",20,64.029,7.13
"D_psicose","bmse000020",21,60.6736,5.34
"D_sorbose","bmse000022",1,100.4423,2.8
"D_sorbose","bmse000022",2,76.5308,8.63
"D_sorbose","bmse000022",3,73.0506,8.72
"D_sorbose","bmse000022",4,72.1197,12.5
"D_sorbose","bmse000022",5,66.1492,9.88
"D_sorbose","bmse000022",6,64.4696,11
"D_tagatose","bmse000023",1,100.9098,3.49
"D_tagatose","bmse000023",2,73.6229,12.5
"D_tagatose","bmse000023",3,72.484,10.38
"D_tagatose","bmse000023",4,71.9743,2.2
"D_tagatose","bmse000023",5,69.0595,10.53
"D_tagatose","bmse000023",6,66.5918,10.06
"D_tagatose","bmse000023",7,66.403,1.92
"D_tagatose","bmse000023",8,66.1917,1.73
"D_tagatose","bmse000023",9,64.9495,7.98
"D_tagatose","bmse000023",10,62.8345,1.69
"D_xylose","bmse000026",1,99.3304,11.78
"D_xylose","bmse000026",2,94.9405,6.48
"D_xylose","bmse000026",3,78.526,10.11
"D_xylose","bmse000026",4,76.7418,12.5
"D_xylose","bmse000026",5,75.5229,5.77
"D_xylose","bmse000026",6,74.1661,6.42
"D_xylose","bmse000026",7,72.1118,6.54
"D_xylose","bmse000026",8,71.9378,12.28
"D_xylose","bmse000026",9,67.899,10.25
"D_xylose","bmse000026",10,63.6456,5.21
"alpha_ketoglutaric_acid","bmse000064",1,184.1528,2.07
"alpha_ketoglutaric_acid","bmse000064",2,38.5723,12.5
"alpha_ketoglutaric_acid","bmse000064",3,33.3219,9.83
"alpha_lactose","bmse000065",1,105.6382,8.25
"alpha_lactose","bmse000065",2,98.4725,7.33
"alpha_lactose","bmse000065",3,94.539,4.05
"alpha_lactose","bmse000065",4,81.1636,3.89
"alpha_lactose","bmse000065",5,81.0377,6.84
"alpha_lactose","bmse000065",6,78.0734,12.5
"alpha_lactose","bmse000065",7,77.522,7.34
"alpha_lactose","bmse000065",8,77.0808,7.32
"alpha_lactose","bmse000065",9,76.5296,7.28
"alpha_lactose","bmse000065",10,75.2407,11.24
"alpha_lactose","bmse000065",11,74.1286,4.28
"alpha_lactose","bmse000065",12,73.8715,4.75
"alpha_lactose","bmse000065",13,73.6835,9.31
"alpha_lactose","bmse000065",14,72.8271,3.84
"alpha_lactose","bmse000065",15,71.272,8.2
"alpha_lactose","bmse000065",16,63.7524,7.27
"alpha_lactose","bmse000065",17,62.8108,4.95
"alpha_lactose","bmse000065",18,62.6765,3.11
"4_aminobenzoic_acid","bmse000066",1,133.5667,12.5
"4_aminobenzoic_acid","bmse000066",2,128.9442,1.1
"4_aminobenzoic_acid","bmse000066",3,117.8119,11.36
"AMP","bmse000005",1,158.1415,3.52
"AMP","bmse000005",2,155.4083,9.41
"AMP","bmse000005",3,151.6344,4.45
"AMP","bmse000005",4,142.8031,7.78
"AMP","bmse000005",5,121.1486,2.72
"AMP","bmse000005",6,89.5563,11.53
"AMP","bmse000005",7,87.4594,6.04
"AMP","bmse000005",8,87.3722,6.06
"AMP","bmse000005",9,77.2299,12.5
"AMP","bmse000005",10,73.4036,12.24
"AMP","bmse000005",11,66.25,4.83
"AMP","bmse000005",12,66.2055,5.13
"anthranilic_acid","bmse000067",1,150.2702,2.1
"anthranilic_acid","bmse000067",2,134.7227,10.28
"anthranilic_acid","bmse000067",3,133.6538,12.5
"anthranilic_acid","bmse000067",4,123.4956,1.99
"anthranilic_acid","bmse000067",5,120.6937,11.1
"anthranilic_acid","bmse000067",6,120.3926,11.42
"L_arabitol","bmse000068",1,73.609,12.5
"L_arabitol","bmse000068",2,73.1399,11.93
"L_arabitol","bmse000068",3,72.9514,12.49
"L_arabitol","bmse000068",4,65.7296,10.81
"L_arabitol","bmse000068",5,65.6383,9.86
"ATP","bmse000006",1,158.2621,4.05
"ATP","bmse000006",2,155.4997,9.32
"ATP","bmse000006",3,151.7848,3.62
"ATP","bmse000006",4,142.6155,7.12
"ATP","bmse000006",5,121.2616,2.51
"ATP","bmse000006",6,89.3634,10.94
"ATP","bmse000006",7,86.7432,5.75
"ATP","bmse000006",8,86.6543,5.65
"ATP","bmse000006",9,76.9481,12.5
"ATP","bmse000006",10,72.9427,11.75
"ATP","bmse000006",11,67.8017,4.32
"ATP","bmse000006",12,67.7473,4.42
"betaine","bmse000069",1,171.9654,1.21
"betaine","bmse000069",2,68.893,3.07
"betaine","bmse000069",3,68.8587,3.29
"betaine","bmse000069",4,68.8297,3.27
"betaine","bmse000069",5,56.0898,10.14
"betaine","bmse000069",6,56.0509,12.5
"betaine","bmse000069",7,56.0118,10.21
"betaine_aldehyde","bmse000070",1,87.5694,9.74
"betaine_aldehyde","bmse000070",2,56.9587,10.45
"betaine_aldehyde","bmse000070",3,56.9195,12.5
"betaine_aldehyde","bmse000070",4,56.8886,11.17
"cadaverine","bmse000072",1,41.871,11.66
"cadaverine","bmse000072",2,28.9617,12.5
"cadaverine","bmse000072",3,25.3762,5.64
"cAMP","bmse000071",1,158.0318,4.3
"cAMP","bmse000071",2,155.524,10.63
"cAMP","bmse000071",3,150.7719,4.62
"cAMP","bmse000071",4,142.3466,9.68
"cAMP","bmse000071",5,121.2041,3.29
"cAMP","bmse000071",6,94.2109,12.5
"cAMP","bmse000071",7,80.0206,6.2
"cAMP","bmse000071",8,79.9754,6.98
"cAMP","bmse000071",9,75.0214,7.05
"cAMP","bmse000071",10,74.9418,7.25
"cAMP","bmse000071",11,74.463,6.46
"cAMP","bmse000071",12,70.0836,5.58
"cAMP","bmse000071",13,70.0142,5.05
"L_canavanine","bmse000073",1,177.0117,3.9
"L_canavanine","bmse000073",2,161.2671,2
"L_canavanine","bmse000073",3,74.5403,11.99
"L_canavanine","bmse000073",4,55.2855,12.02
"L_canavanine","bmse000073",5,31.809,12.5
"D_carnitine","bmse000074",1,180.7779,2.25
"D_carnitine","bmse000074",2,72.8193,4.47
"D_carnitine","bmse000074",3,72.7942,3.83
"D_carnitine","bmse000074",4,66.791,9.37
"D_carnitine","bmse000074",5,56.8328,10.48
"D_carnitine","bmse000074",6,56.7941,12.5
"D_carnitine","bmse000074",7,56.7554,10.44
"D_carnitine","bmse000074",8,45.6802,6.79
"chorismic_acid","bmse000075",1,155.9825,4.51
"chorismic_acid","bmse000075",2,137.1007,3.63
"chorismic_acid","bmse000075",3,132.6303,11.7
"chorismic_acid","bmse000075",4,131.7674,9.54
"chorismic_acid","bmse000075",5,126.7891,9.9
"chorismic_acid","bmse000075",6,95.5643,8.84
"chorismic_acid","bmse000075",7,82.3153,12.5
"chorismic_acid","bmse000075",8,72.8256,12.45
"citrate","bmse000076",1,184.7215,1.13
"citrate","bmse000076",2,182.0353,2.11
"citrate","bmse000076",3,77.9249,1.44
"citrate","bmse000076",4,48.4023,12.5
"coumarin","bmse000077",1,163.4646,0.72
"coumarin","bmse000077",2,156.7265,1.12
"coumarin","bmse000077",3,146.1206,6.54
"coumarin","bmse000077",4,134.5133,12.5
"coumarin","bmse000077",5,130.5441,8.87
"coumarin","bmse000077",6,127.1083,11.93
"coumarin","bmse000077",7,121.5098,1.08
"coumarin","bmse000077",8,119.5804,6.82
"coumarin","bmse000077",9,119.3784,7.14
"creatine","bmse000078",1,177.3494,1.87
"creatine","bmse000078",2,56.549,12.5
"creatine","bmse000078",3,39.6249,7.16
"creatine_phosphate","bmse000079",1,177.5977,1.69
"creatine_phosphate","bmse000079",2,56.5658,12.5
"creatine_phosphate","bmse000079",3,39.5149,7.02
"dehydro_proline","bmse000080",1,174.9837,1.15
"dehydro_proline","bmse000080",2,128.3998,11.9
"dehydro_proline","bmse000080",3,128.1163,10.28
"dehydro_proline","bmse000080",4,71.129,8.12
"dehydro_proline","bmse000080",5,55.1054,12.5
"D_3_phosphoglyceric_acid","bmse000007",1,181.5589,4.18
"D_3_phosphoglyceric_acid","bmse000007",2,75.6758,11.64
"D_3_phosphoglyceric_acid","bmse000007",3,75.5997,9.71
"D_3_phosphoglyceric_acid","bmse000007",4,69.5144,10.45
"D_3_phosphoglyceric_acid","bmse000007",5,69.4639,12.5
"D_fructose_1_6_bisphosphate","bmse000011",1,107.7441,1.24
"D_fructose_1_6_bisphosphate","bmse000011",2,107.6859,1.45
"D_fructose_1_6_bisphosphate","bmse000011",3,103.7998,2.79
"D_fructose_1_6_bisphosphate","bmse000011",4,103.7169,2.58
"D_fructose_1_6_bisphosphate","bmse000011",5,84.7524,1.84
"D_fructose_1_6_bisphosphate","bmse000011",6,84.6734,1.8
"D_fructose_1_6_bisphosphate","bmse000011",7,84.1618,3.88
"D_fructose_1_6_bisphosphate","bmse000011",8,82.4331,4.33
"D_fructose_1_6_bisphosphate","bmse000011",9,82.3517,4.54
"D_fructose_1_6_bisphosphate","bmse000011",10,79.436,3.58
"D_fructose_1_6_bisphosphate","bmse000011",11,78.4857,12.5
"D_fructose_1_6_bisphosphate","bmse000011",12,76.8309,8.44
"D_fructose_1_6_bisphosphate","bmse000011",13,68.3534,4.96
"D_fructose_1_6_bisphosphate","bmse000011",14,67.3714,1.78
"D_fructose_1_6_bisphosphate","bmse000011",15,67.0519,6.07
"D_fructose_1_6_bisphosphate","bmse000011",16,67.0078,5.96
"D_fructose_1_6_bisphosphate","bmse000011",17,66.9036,2.2
"D_fructose_1_6_bisphosphate","bmse000011",18,66.8591,2.2
"D_fructose_6_phosphate","bmse000012",1,107.1352,1.18
"D_fructose_6_phosphate","bmse000012",2,104.1799,5.96
"D_fructose_6_phosphate","bmse000012",3,84.4579,2.69
"D_fructose_6_phosphate","bmse000012",4,83.1582,1.38
"D_fructose_6_phosphate","bmse000012",5,83.081,1.12
"D_fructose_6_phosphate","bmse000012",6,82.6592,6.1
"D_fructose_6_phosphate","bmse000012",7,82.5783,5.8
"D_fructose_6_phosphate","bmse000012",8,78.536,2.85
"D_fructose_6_phosphate","bmse000012",9,77.8697,12.5
"D_fructose_6_phosphate","bmse000012",10,77.0604,11.73
"D_fructose_6_phosphate","bmse000012",11,67.0498,5.65
"D_fructose_6_phosphate","bmse000012",12,67.0041,5.36
"D_fructose_6_phosphate","bmse000012",13,66.1661,1.42
"D_fructose_6_phosphate","bmse000012",14,65.5593,2.38
"D_fructose_6_phosphate","bmse000012",15,65.331,9.82
"D_glucosamine","bmse000014",1,96.4205,8.72
"D_glucosamine","bmse000014",2,92.2506,9.77
"D_glucosamine","bmse000014",3,78.8513,9.64
"D_glucosamine","bmse000014",4,75.5831,6.35
"D_glucosamine","bmse000014",5,74.3295,12.27
"D_glucosamine","bmse000014",6,72.756,10.13
"D_glucosamine","bmse000014",7,72.4003,6.63
"D_glucosamine","bmse000014",8,72.3164,12.5
"D_glucosamine","bmse000014",9,63.2588,6.09
"D_glucosamine","bmse000014",10,63.0618,8.38
"D_glucosamine","bmse000014",11,59.6201,8.02
"D_glucosamine","bmse000014",12,57.0959,11.82
"D_glucose_6_phosphate","bmse000016",1,98.7788,8.55
"D_glucose_6_phosphate","bmse000016",2,94.9276,4.89
"D_glucose_6_phosphate","bmse000016",3,78.1764,4.82
"D_glucose_6_phosphate","bmse000016",4,78.106,3.56
"D_glucose_6_phosphate","bmse000016",5,77.9455,6.69
"D_glucose_6_phosphate","bmse000016",6,76.9831,9.41
"D_glucose_6_phosphate","bmse000016",7,75.0341,3.92
"D_glucose_6_phosphate","bmse000016",8,74.314,4.27
"D_glucose_6_phosphate","bmse000016",9,73.8171,2.12
"D_glucose_6_phosphate","bmse000016",10,73.7484,2.83
"D_glucose_6_phosphate","bmse000016",11,71.7635,12.5
"D_glucose_6_phosphate","bmse000016",12,65.5737,3.84
"D_glucose_6_phosphate","bmse000016",13,65.5308,3.24
"D_glucose_6_phosphate","bmse000016",14,65.4799,2.31
"D_maltose","bmse000017",1,102.3099,6.16
"D_maltose","bmse000017",2,102.2275,9.38
"D_maltose","bmse000017",3,98.4704,10.34
"D_maltose","bmse000017",4,94.5912,6.33
"D_maltose","bmse000017",5,79.5285,5.17
"D_maltose","bmse000017",6,79.3217,8.47
"D_maltose","bmse000017",7,78.9276,9.15
"D_maltose","bmse000017",8,77.2648,10.83
"D_maltose","bmse000017",9,76.7045,8.61
"D_maltose","bmse000017",10,75.9471,5.48
"D_maltose","bmse000017",11,75.5584,7.84
"D_maltose","bmse000017",12,75.5345,10.55
"D_maltose","bmse000017",13,75.3859,9.92
"D_maltose","bmse000017",14,74.4492,5.89
"D_maltose","bmse000017",15,74.3558,8.17
"D_maltose","bmse000017",16,73.9924,5.77
"D_maltose","bmse000017",17,72.6486,6.16
"D_maltose","bmse000017",18,72.0198,8.44
"D_maltose","bmse000017",19,63.4361,6.09
"D_maltose","bmse000017",20,63.2871,4.41
"D_maltose","bmse000017",21,63.1596,12.5
"D_ornithine","bmse000019",1,56.8208,12.5
"D_ornithine","bmse000019",2,41.5722,10.12
"D_ornithine","bmse000019",3,30.1825,12.11
"D_ornithine","bmse000019",4,25.4604,8.77
"D_threo_isocitric_acid","bmse000025",1,183.683,6.79
"D_threo_isocitric_acid","bmse000025",2,182.958,3.11
"D_threo_isocitric_acid","bmse000025",3,76.3916,11.16
"D_threo_isocitric_acid","bmse000025",4,51.8047,12.5
"D_threo_isocitric_acid","bmse000025",5,40.3285,10.98
"D_xylulose","bmse000027",1,108.4502,1.01
"D_xylulose","bmse000027",2,105.6511,3.08
"D_xylulose","bmse000027",3,83.18,3.1
"D_xylulose","bmse000027",4,78.9065,11.61
"D_xylulose","bmse000027",5,78.5426,3.96
"D_xylulose","bmse000027",6,78.011,2.93
"D_xylulose","bmse000027",7,77.5565,9.89
"D_xylulose","bmse000027",8,74.6749,2.45
"D_xylulose","bmse000027",9,74.6163,2.47
"D_xylulose","bmse000027",10,72.5201,10.76
"D_xylulose","bmse000027",11,68.7345,3.03
"D_xylulose","bmse000027",12,65.6799,12.5
"D_xylulose","bmse000027",13,65.1062,3.07
"D_xylulose","bmse000027",14,64.5556,3.06
"fumaric_acid","bmse000083",1,177.424,1.91
"fumaric_acid","bmse000083",2,138.042,12.5
"gluconic_acid","bmse000084",1,181.3386,1.89
"gluconic_acid","bmse000084",2,76.7743,10.33
"gluconic_acid","bmse000084",3,75.2613,9.8
"gluconic_acid","bmse000084",4,73.8705,12.36
"gluconic_acid","bmse000084",5,73.6525,10.2
"gluconic_acid","bmse000084",6,65.308,12.5
"alpha_D_glucose_1_phosphate","bmse000086",1,96.3867,5.99
"alpha_D_glucose_1_phosphate","bmse000086",2,96.3335,6.2
"alpha_D_glucose_1_phosphate","bmse000086",3,75.8391,10.34
"alpha_D_glucose_1_phosphate","bmse000086",4,74.9392,5.94
"alpha_D_glucose_1_phosphate","bmse000086",5,74.871,6.51
"alpha_D_glucose_1_phosphate","bmse000086",6,74.7037,12.5
"alpha_D_glucose_1_phosphate","bmse000086",7,72.4482,11.49
"alpha_D_glucose_1_phosphate","bmse000086",8,63.3999,9.58
"alpha_D_glucose_1_6_bisphosphate","bmse000087",1,96.6014,6.13
"alpha_D_glucose_1_6_bisphosphate","bmse000087",2,96.5465,7.96
"alpha_D_glucose_1_6_bisphosphate","bmse000087",3,75.3449,11.03
"alpha_D_glucose_1_6_bisphosphate","bmse000087",4,75.0612,6.57
"alpha_D_glucose_1_6_bisphosphate","bmse000087",5,74.9873,7.68
"alpha_D_glucose_1_6_bisphosphate","bmse000087",6,74.3802,6.65
"alpha_D_glucose_1_6_bisphosphate","bmse000087",7,74.317,7.4
"alpha_D_glucose_1_6_bisphosphate","bmse000087",8,71.5781,12.5
"alpha_D_glucose_1_6_bisphosphate","bmse000087",9,65.3993,4.84
"alpha_D_glucose_1_6_bisphosphate","bmse000087",10,65.3536,5.06
"glycine","bmse000089",1,175.1557,1.97
"glycine","bmse000089",2,44.1252,12.5
"guanine","bmse000090",1,170.3632,9.04
"guanine","bmse000090",2,163.6535,12.5
"guanine","bmse000090",3,161.8796,11.9
"guanine","bmse000090",4,120.9619,9.12
"guanosine","bmse000091",1,170.5025,1.71
"guanosine","bmse000091",2,163.3657,1.47
"guanosine","bmse000091",3,153.5645,2.67
"guanosine","bmse000091",4,139.3656,9.14
"guanosine","bmse000091",5,121.0084,1.46
"guanosine","bmse000091",6,90.841,11.95
"guanosine","bmse000091",7,88.5938,12.21
"guanosine","bmse000091",8,75.8197,12.21
"guanosine","bmse000091",9,73.7609,12.5
"guanosine","bmse000091",10,64.5009,9.96
"4_hydroxybenzoic_acid","bmse000092",1,161.2131,1.26
"4_hydroxybenzoic_acid","bmse000092",2,133.942,12.5
"4_hydroxybenzoic_acid","bmse000092",3,130.8287,1.62
"4_hydroxybenzoic_acid","bmse000092",4,117.592,10.22
"trans_3_hydroxycinnamic_acid","bmse000093",1,178.4192,2.27
"trans_3_hydroxycinnamic_acid","bmse000093",2,158.5422,3.6
"trans_3_hydroxycinnamic_acid","bmse000093",3,143.1901,8.95
"trans_3_hydroxycinnamic_acid","bmse000093",4,139.6042,3.48
"trans_3_hydroxycinnamic_acid","bmse000093",5,133.0298,11.46
"trans_3_hydroxycinnamic_acid","bmse000093",6,127.174,8.41
"trans_3_hydroxycinnamic_acid","bmse000093",7,122.9365,12.5
"trans_3_hydroxycinnamic_acid","bmse000093",8,119.3249,10.36
"trans_3_hydroxycinnamic_acid","bmse000093",9,116.6163,10.36
"hypoxanthine","bmse000094",1,164.9523,1.17
"hypoxanthine","bmse000094",2,159.7264,2.08
"hypoxanthine","bmse000094",3,150.37,10.69
"hypoxanthine","bmse000094",4,149.1756,12.5
"hypoxanthine","bmse000094",5,123.2364,1.06
"imidazole","bmse000096",1,137.7708,3.03
"imidazole","bmse000096",2,123.4233,12.5
"indole","bmse000097",1,138.3981,1.25
"indole","bmse000097",2,130.4755,1.24
"indole","bmse000097",3,126.7831,8.65
"indole","bmse000097",4,124.6229,12.5
"indole","bmse000097",5,123.3758,10.66
"indole","bmse000097",6,122.4493,10.48
"indole","bmse000097",7,113.6756,9.74
"indole","bmse000097",8,105.2378,11.58
"inosine","bmse000098",1,151.078,2.3
"inosine","bmse000098",2,148.9185,8.98
"inosine","bmse000098",3,142.8874,7.4
"inosine","bmse000098",4,126.8411,1.65
"inosine","bmse000098",5,91.1086,8.08
"inosine","bmse000098",6,88.2694,11.43
"inosine","bmse000098",7,76.7759,12.5
"inosine","bmse000098",8,73.0828,10.32
"inosine","bmse000098",9,64.0173,8.72
"i_erythritol","bmse000095",1,74.6148,12.5
"i_erythritol","bmse000095",2,65.3077,8.45
"L_alanine","bmse000028",1,178.5574,1.16
"L_alanine","bmse000028",2,53.2035,9.48
"L_alanine","bmse000028",3,18.8465,12.5
"L_arginine","bmse000029",1,177.2125,3.21
"L_arginine","bmse000029",2,57.0216,10.14
"L_arginine","bmse000029",3,43.2011,12.5
"L_arginine","bmse000029",4,30.2885,11.19
"L_arginine","bmse000029",5,26.5758,9.54
"L_asparagine","bmse000030",1,177.1771,1.47
"L_asparagine","bmse000030",2,176.209,1.94
"L_asparagine","bmse000030",3,53.9932,12.5
"L_asparagine","bmse000030",4,37.2983,11.26
"L_aspartic_acid","bmse000031",1,180.297,3.41
"L_aspartic_acid","bmse000031",2,176.9954,2.67
"L_aspartic_acid","bmse000031",3,54.9142,11.68
"L_aspartic_acid","bmse000031",4,39.2604,12.5
"L_citrulline","bmse000032",1,177.3878,3.15
"L_citrulline","bmse000032",2,164.2805,1.25
"L_citrulline","bmse000032",3,57.2048,11.84
"L_citrulline","bmse000032",4,41.9551,1.88
"L_citrulline","bmse000032",5,30.4444,12.5
"L_citrulline","bmse000032",6,27.6682,7.93
"L_cystathionine","bmse000033",1,56.4392,8
"L_cystathionine","bmse000033",2,56.2614,10.81
"L_cystathionine","bmse000033",3,34.8058,9.84
"L_cystathionine","bmse000033",4,32.8913,9.2
"L_cystathionine","bmse000033",5,29.7625,12.5
"L_cysteine","bmse000034",1,58.731,9.48
"L_cysteine","bmse000034",2,27.687,12.5
"L_cystine","bmse000035",1,183.331,3.03
"L_cystine","bmse000035",2,57.5783,12.5
"L_cystine","bmse000035",3,46.0281,10.99
"L_fucose","bmse000036",1,98.936,11.78
"L_fucose","bmse000036",2,94.9206,4.76
"L_fucose","bmse000036",3,75.6252,9.59
"L_fucose","bmse000036",4,74.6014,4.86
"L_fucose","bmse000036",5,74.3627,10.92
"L_fucose","bmse000036",6,74.1543,8.8
"L_fucose","bmse000036",7,73.586,9.85
"L_fucose","bmse000036",8,71.9701,4.6
"L_fucose","bmse000036",9,70.7832,3.67
"L_fucose","bmse000036",10,69.0314,4.4
"L_fucose","bmse000036",11,18.2232,12.5
"L_glutamic_acid","bmse000037",1,184.0438,2.16
"L_glutamic_acid","bmse000037",2,177.297,1.79
"L_glutamic_acid","bmse000037",3,57.3356,12.29
"L_glutamic_acid","bmse000037",4,36.1753,9.58
"L_glutamic_acid","bmse000037",5,29.6742,12.5
"L_glutamine","bmse000038",1,180.3694,1.86
"L_glutamine","bmse000038",2,176.8264,2.47
"L_glutamine","bmse000038",3,56.8326,9.96
"L_glutamine","bmse000038",4,33.528,10.99
"L_glutamine","bmse000038",5,28.9528,12.5
"L_histidine","bmse000039",1,176.6511,1.83
"L_histidine","bmse000039",2,138.9728,9.16
"L_histidine","bmse000039",3,134.6686,2.25
"L_histidine","bmse000039",4,119.5492,8.47
"L_histidine","bmse000039",5,57.4737,12.5
"L_histidine","bmse000039",6,30.7804,11.71
"L_homoserine","bmse000040",1,177.2374,1.7
"L_homoserine","bmse000040",2,61.3363,12.5
"L_homoserine","bmse000040",3,56.0719,8.39
"L_homoserine","bmse000040",4,34.8823,11.17
"L_isoleucine","bmse000041",1,176.9223,1.89
"L_isoleucine","bmse000041",2,62.2493,12.5
"L_isoleucine","bmse000041",3,38.5957,9.56
"L_isoleucine","bmse000041",4,27.1531,12.15
"L_isoleucine","bmse000041",5,17.3893,8.4
"L_isoleucine","bmse000041",6,13.8035,7.76
"L_leucine","bmse000042",1,178.3284,2.9
"L_leucine","bmse000042",2,56.1175,11.06
"L_leucine","bmse000042",3,42.5151,11.41
"L_leucine","bmse000042",4,26.8579,12.5
"L_leucine","bmse000042",5,24.7283,9.43
"L_leucine","bmse000042",6,23.5808,12.45
"L_lysine","bmse000043",1,177.4077,2.58
"L_lysine","bmse000043",2,57.1969,9.77
"L_lysine","bmse000043",3,41.7595,10.04
"L_lysine","bmse000043",4,32.6068,10.59
"L_lysine","bmse000043",5,29.1125,12.5
"L_lysine","bmse000043",6,24.1325,10.95
"malic_acid","bmse000046",1,183.7669,2.25
"malic_acid","bmse000046",2,182.5706,2
"malic_acid","bmse000046",3,73.0495,9.52
"malic_acid","bmse000046",4,45.3174,12.5
"L_methionine","bmse000044",1,177.0256,1.63
"L_methionine","bmse000044",2,56.5949,11.7
"L_methionine","bmse000044",3,32.3948,11.02
"L_methionine","bmse000044",4,31.5117,12.5
"L_methionine","bmse000044",5,16.6207,5.66
"L_phenylalanine","bmse000045",1,137.8245,2.32
"L_phenylalanine","bmse000045",2,132.08,12.5
"L_phenylalanine","bmse000045",3,131.8234,9.6
"L_phenylalanine","bmse000045",4,130.4017,5.37
"L_phenylalanine","bmse000045",5,58.7477,5.25
"L_phenylalanine","bmse000045",6,39.0993,5.55
"L_proline","bmse000047",1,177.4144,1.3
"L_proline","bmse000047",2,63.9229,11.05
"L_proline","bmse000047",3,48.7631,9.32
"L_proline","bmse000047",4,31.6863,12.5
"L_proline","bmse000047",5,26.4548,9.6
"L_serine","bmse000048",1,62.8928,12.5
"L_serine","bmse000048",2,59.0815,8.62
"L_threonine","bmse000049",1,175.6411,1.16
"L_threonine","bmse000049",2,68.6408,12.03
"L_threonine","bmse000049",3,63.1368,12.5
"L_threonine","bmse000049",4,22.1352,12.2
"L_tryptophan","bmse000050",1,177.255,2.71
"L_tryptophan","bmse000050",2,139.0401,1.59
"L_tryptophan","bmse000050",3,129.3512,1.89
"L_tryptophan","bmse000050",4,127.7463,10.84
"L_tryptophan","bmse000050",5,124.8346,12.27
"L_tryptophan","bmse000050",6,122.1638,12.5
"L_tryptophan","bmse000050",7,121.1566,12.38
"L_tryptophan","bmse000050",8,114.6587,10.23
"L_tryptophan","bmse000050",9,110.1782,4.04
"L_tryptophan","bmse000050",10,57.7537,11.28
"L_tryptophan","bmse000050",11,29.1016,11.57
"L_tyrosine","bmse000051",1,184.1279,1.35
"L_tyrosine","bmse000051",2,163.7886,1.13
"L_tyrosine","bmse000051",3,133.3998,10.61
"L_tyrosine","bmse000051",4,128.0459,2.21
"L_tyrosine","bmse000051",5,120.2955,12.5
"L_tyrosine","bmse000051",6,60.0412,5.12
"L_tyrosine","bmse000051",7,41.8233,4.45
"L_valine","bmse000052",1,63.0706,10.1
"L_valine","bmse000052",2,31.7958,11.73
"L_valine","bmse000052",3,20.6547,12.29
"L_valine","bmse000052",4,19.3267,12.5
"D_mannitol","bmse000099",1,73.4901,12.5
"D_mannitol","bmse000099",2,71.9258,8.62
"D_mannitol","bmse000099",3,65.9197,11.81
"meso_erythritol","bmse000100",1,74.6159,12.5
"meso_erythritol","bmse000100",2,65.309,8.37
"methyl_oxobutanoic_acid","bmse000101",1,39.7045,5.48
"methyl_oxobutanoic_acid","bmse000101",2,19.0607,12.5
"muco_inositol","bmse000102",1,75.0137,6.8
"muco_inositol","bmse000102",2,72.8728,12.5
"myo_inositol","bmse000103",1,77.0519,5.9
"myo_inositol","bmse000103",2,75.1054,12.5
"myo_inositol","bmse000103",3,74.8867,4.4
"myo_inositol","bmse000103",4,73.8316,10.8
"NAD","bmse000053",1,167.8653,3.69
"NAD","bmse000053",2,158.0181,4.21
"NAD","bmse000053",3,155.468,8.5
"NAD","bmse000053",4,151.5966,5.8
"NAD","bmse000053",5,148.4441,6.77
"NAD","bmse000053",6,145.0618,5.64
"NAD","bmse000053",7,142.6338,5.11
"NAD","bmse000053",8,142.3914,7.13
"NAD","bmse000053",9,136.3277,6.28
"NAD","bmse000053",10,131.3233,7.72
"NAD","bmse000053",11,121.0165,3.15
"NAD","bmse000053",12,102.7367,9.04
"NAD","bmse000053",13,89.7361,5.45
"NAD","bmse000053",14,89.6488,5.15
"NAD","bmse000053",15,89.3547,10.54
"NAD","bmse000053",16,86.5859,5.25
"NAD","bmse000053",17,86.4979,5.24
"NAD","bmse000053",18,80.3065,12.5
"NAD","bmse000053",19,76.6526,12.24
"NAD","bmse000053",20,73.2929,11.75
"NAD","bmse000053",21,73.0829,11.48
"NAD","bmse000053",22,68.1579,4.36
"NAD","bmse000053",23,68.1059,4.27
"NAD","bmse000053",24,67.6491,4.7
"NAD","bmse000053",25,67.5973,4.24
"NADH","bmse000054",1,175.3474,5.48
"NADH","bmse000054",2,158.1968,4.24
"NADH","bmse000054",3,155.4171,8.83
"NADH","bmse000054",4,151.5844,5.71
"NADH","bmse000054",5,142.3515,6.8
"NADH","bmse000054",6,141.1257,9.71
"NADH","bmse000054",7,126.4094,7.79
"NADH","bmse000054",8,121.2963,4.16
"NADH","bmse000054",9,108.0387,9.52
"NADH","bmse000054",10,102.5371,7.01
"NADH","bmse000054",11,97.7448,9.22
"NADH","bmse000054",12,89.7936,11.06
"NADH","bmse000054",13,86.3582,5.51
"NADH","bmse000054",14,85.0981,5.6
"NADH","bmse000054",15,77.2518,12.23
"NADH","bmse000054",16,73.4643,12.14
"NADH","bmse000054",17,73.2824,12.5
"NADH","bmse000054",18,72.9239,9.04
"NADH","bmse000054",19,68.6321,4.65
"NADH","bmse000054",20,67.8556,4.52
"NADH","bmse000054",21,24.5551,8.23
"NADH","bmse000054",22,19.5029,3.45
"NADPH","bmse000055",1,175.4549,3.91
"NADPH","bmse000055",2,158.2562,4.4
"NADPH","bmse000055",3,155.3726,8.4
"NADPH","bmse000055",4,151.6612,4.78
"NADPH","bmse000055",5,142.7666,6.52
"NADPH","bmse000055",6,141.0746,8.37
"NADPH","bmse000055",7,126.4637,8.6
"NADPH","bmse000055",8,108.0154,8.41
"NADPH","bmse000055",9,102.5834,6.37
"NADPH","bmse000055",10,97.6847,9.4
"NADPH","bmse000055",11,89.5671,4.71
"NADPH","bmse000055",12,89.4832,4.7
"NADPH","bmse000055",13,85.6232,4.52
"NADPH","bmse000055",14,85.136,4.45
"NADPH","bmse000055",15,79.2632,4.94
"NADPH","bmse000055",16,73.4756,12.5
"NADPH","bmse000055",17,73.324,11.5
"NADPH","bmse000055",18,72.7309,8.21
"NADPH","bmse000055",19,68.5416,4.39
"NADPH","bmse000055",20,67.9571,5.25
"NADPH","bmse000055",21,24.6213,6.74
"niacin","bmse000104",1,176.0593,0.88
"niacin","bmse000104",2,153.1473,12.5
"niacin","bmse000104",3,151.7346,9.43
"niacin","bmse000104",4,140.3918,11.16
"niacin","bmse000104",5,135.0395,2.37
"niacin","bmse000104",6,126.6461,10.94
"nicotine","bmse000105",1,152.9553,11.86
"nicotine","bmse000105",2,151.8079,8.39
"nicotine","bmse000105",3,139.9786,11.24
"nicotine","bmse000105",4,132.2848,2.82
"nicotine","bmse000105",5,127.6138,11.08
"nicotine","bmse000105",6,72.3903,8.23
"nicotine","bmse000105",7,58.7754,9.8
"nicotine","bmse000105",8,40.9138,11.41
"nicotine","bmse000105",9,33.0757,8.96
"nicotine","bmse000105",10,24.2203,12.5
"N_acetylneuraminic_acid","bmse000057",1,179.4931,2.99
"N_acetylneuraminic_acid","bmse000057",2,177.4691,5.36
"N_acetylneuraminic_acid","bmse000057",3,99.1066,6.81
"N_acetylneuraminic_acid","bmse000057",4,73.0136,10.35
"N_acetylneuraminic_acid","bmse000057",5,72.9084,11.02
"N_acetylneuraminic_acid","bmse000057",6,71.2583,9.48
"N_acetylneuraminic_acid","bmse000057",7,70.0063,10.08
"N_acetylneuraminic_acid","bmse000057",8,66.0063,10.13
"N_acetylneuraminic_acid","bmse000057",9,54.9693,12.5
"N_acetylneuraminic_acid","bmse000057",10,42.0905,8.84
"N_acetylneuraminic_acid","bmse000057",11,24.8195,11.34
"N_acetyl_D_mannosamine","bmse000056",1,178.4248,1.93
"N_acetyl_D_mannosamine","bmse000056",2,177.4968,2.6
"N_acetyl_D_mannosamine","bmse000056",3,95.8209,8.31
"N_acetyl_D_mannosamine","bmse000056",4,95.688,9.13
"N_acetyl_D_mannosamine","bmse000056",5,79.0399,10.23
"N_acetyl_D_mannosamine","bmse000056",6,74.7525,9.08
"N_acetyl_D_mannosamine","bmse000056",7,74.6939,8.91
"N_acetyl_D_mannosamine","bmse000056",8,71.5593,11.26
"N_acetyl_D_mannosamine","bmse000056",9,69.4618,11.11
"N_acetyl_D_mannosamine","bmse000056",10,69.1894,8.23
"N_acetyl_D_mannosamine","bmse000056",11,63.0714,12.5
"N_acetyl_D_mannosamine","bmse000056",12,56.7834,6.76
"N_acetyl_D_mannosamine","bmse000056",13,55.9143,11.74
"N_acetyl_D_mannosamine","bmse000056",14,24.7467,6.42
"N_acetyl_D_mannosamine","bmse000056",15,24.6103,7.83
"oxalate","bmse000106",1,176.1386,12.5
"O_succinyl_L_homoserine","bmse000058",1,183.8863,2.56
"O_succinyl_L_homoserine","bmse000058",2,178.3647,2.14
"O_succinyl_L_homoserine","bmse000058",3,176.7702,2.64
"O_succinyl_L_homoserine","bmse000058",4,64.4599,9.53
"O_succinyl_L_homoserine","bmse000058",5,55.5165,8.79
"O_succinyl_L_homoserine","bmse000058",6,35.6935,1.47
"O_succinyl_L_homoserine","bmse000058",7,34.6435,11.39
"O_succinyl_L_homoserine","bmse000058",8,33.1998,12.5
"O_succinyl_L_homoserine","bmse000058",9,32.0477,7.9
"phosphoenolpyruvic_acid","bmse000107",1,152.4983,4.37
"phosphoenolpyruvic_acid","bmse000107",2,152.4267,2.42
"phosphoenolpyruvic_acid","bmse000107",3,102.8677,10.91
"phosphoenolpyruvic_acid","bmse000107",4,102.8401,12.5
"prephenic_acid","bmse000108",1,134.012,12.19
"prephenic_acid","bmse000108",2,130.3553,12.5
"prephenic_acid","bmse000108",3,64.0727,7.77
"prephenic_acid","bmse000108",4,51.2462,2.5
"prephenic_acid","bmse000108",5,50.6545,5.86
"putrescine","bmse000109",1,41.551,11.73
"putrescine","bmse000109",2,26.5984,12.5
"pyridoxal","bmse000110",1,161.5671,1.78
"pyridoxal","bmse000110",2,148.0785,2.3
"pyridoxal","bmse000110",3,140.9568,3.28
"pyridoxal","bmse000110",4,139.5279,4.52
"pyridoxal","bmse000110",5,120.0727,6.07
"pyridoxal","bmse000110",6,102.0212,10.48
"pyridoxal","bmse000110",7,72.5072,12.5
"pyridoxal","bmse000110",8,17.5108,7.09
"pyridoxal_5_phosphate","bmse000111",1,198.7901,4.06
"pyridoxal_5_phosphate","bmse000111",2,154.2739,7.56
"pyridoxal_5_phosphate","bmse000111",3,139.0553,2.73
"pyridoxal_5_phosphate","bmse000111",4,138.9802,2.7
"pyridoxal_5_phosphate","bmse000111",5,128.8539,3.48
"pyridoxal_5_phosphate","bmse000111",6,126.7748,3.24
"pyridoxal_5_phosphate","bmse000111",7,91.4524,2.95
"pyridoxal_5_phosphate","bmse000111",8,64.4322,9.86
"pyridoxal_5_phosphate","bmse000111",9,64.3954,7.79
"pyridoxal_5_phosphate","bmse000111",10,18.7125,12.5
"pyridoxal_5_phosphate","bmse000111",11,17.3618,2.26
"pyridoxamine","bmse000130",1,165.5851,1.63
"pyridoxamine","bmse000130",2,148.1236,2.38
"pyridoxamine","bmse000130",3,138.2661,5.06
"pyridoxamine","bmse000130",4,134.7636,2.63
"pyridoxamine","bmse000130",5,126.6506,8.52
"pyridoxamine","bmse000130",6,61.8257,9.73
"pyridoxamine","bmse000130",7,39.2287,12.5
"pyridoxamine","bmse000130",8,18.1093,10.27
"pyridoxamine_5_phosphate","bmse000131",1,165.6996,3.42
"pyridoxamine_5_phosphate","bmse000131",2,147.3396,4.49
"pyridoxamine_5_phosphate","bmse000131",3,137.5932,4.37
"pyridoxamine_5_phosphate","bmse000131",4,137.5201,3.66
"pyridoxamine_5_phosphate","bmse000131",5,135.8735,6.9
"pyridoxamine_5_phosphate","bmse000131",6,125.9833,8.38
"pyridoxamine_5_phosphate","bmse000131",7,64.3374,8.14
"pyridoxamine_5_phosphate","bmse000131",8,64.2962,7.45
"pyridoxamine_5_phosphate","bmse000131",9,38.955,12.5
"pyridoxamine_5_phosphate","bmse000131",10,17.7372,11.91
"scyllo_inositol","bmse000113",1,76.2821,12.5
"shikimic_acid","bmse000114",1,178.0757,1.84
"shikimic_acid","bmse000114",2,138.7121,3.69
"shikimic_acid","bmse000114",3,133.2065,8.63
"shikimic_acid","bmse000114",4,74.7462,8.91
"shikimic_acid","bmse000114",5,69.5201,11.73
"shikimic_acid","bmse000114",6,68.9871,12.5
"shikimic_acid","bmse000114",7,35.3685,8.86
"D_sorbitol","bmse000115",1,75.6364,11.8
"D_sorbitol","bmse000115",2,73.7844,11.91
"D_sorbitol","bmse000115",3,73.6628,11.46
"D_sorbitol","bmse000115",4,72.3478,12.5
"D_sorbitol","bmse000115",5,65.5074,7.86
"D_sorbitol","bmse000115",6,65.1126,9.65
"spermidine","bmse000116",1,49.7685,12.5
"spermidine","bmse000116",2,47.255,9.6
"spermidine","bmse000116",3,41.5152,10.94
"spermidine","bmse000116",4,39.2998,10.61
"spermidine","bmse000116",5,26.64,10.09
"spermidine","bmse000116",6,26.5227,9.51
"spermidine","bmse000116",7,25.4882,11.59
"spermine","bmse000117",1,50.4642,10.16
"spermine","bmse000117",2,48.3361,12.5
"spermine","bmse000117",3,40.6981,12.1
"spermine","bmse000117",4,30.823,7.1
"spermine","bmse000117",5,27.6835,10.97
"succinic_acid","bmse000118",1,185.1648,1.78
"succinic_acid","bmse000118",2,36.8897,12.5
"sucrose","bmse000119",1,106.3887,6.15
"sucrose","bmse000119",2,94.8829,11.39
"sucrose","bmse000119",3,84.0666,11.94
"sucrose","bmse000119",4,79.0967,11.54
"sucrose","bmse000119",5,76.6892,12.13
"sucrose","bmse000119",6,75.2562,11.56
"sucrose","bmse000119",7,75.107,12.4
"sucrose","bmse000119",8,73.7694,11.94
"sucrose","bmse000119",9,71.9114,12.5
"sucrose","bmse000119",10,65.0741,11.11
"sucrose","bmse000119",11,64.0305,10.38
"sucrose","bmse000119",12,62.8059,9.96
"S_adenosyl_L_methionine","bmse000059",1,177.2049,1.06
"S_adenosyl_L_methionine","bmse000059",2,175.5374,3.57
"S_adenosyl_L_methionine","bmse000059",3,158.2573,4.07
"S_adenosyl_L_methionine","bmse000059",4,158.1473,1.23
"S_adenosyl_L_methionine","bmse000059",5,155.5574,8.68
"S_adenosyl_L_methionine","bmse000059",6,155.4871,3.71
"S_adenosyl_L_methionine","bmse000059",7,154.9459,1.28
"S_adenosyl_L_methionine","bmse000059",8,151.4918,1.4
"S_adenosyl_L_methionine","bmse000059",9,151.3094,4.84
"S_adenosyl_L_methionine","bmse000059",10,143.3489,7.53
"S_adenosyl_L_methionine","bmse000059",11,142.6447,2.96
"S_adenosyl_L_methionine","bmse000059",12,121.7408,3.05
"S_adenosyl_L_methionine","bmse000059",13,91.8,12.5
"S_adenosyl_L_methionine","bmse000059",14,90.1262,1.08
"S_adenosyl_L_methionine","bmse000059",15,90.0407,3.67
"S_adenosyl_L_methionine","bmse000059",16,85.9474,3.7
"S_adenosyl_L_methionine","bmse000059",17,81.4782,2.83
"S_adenosyl_L_methionine","bmse000059",18,80.8642,9.06
"S_adenosyl_L_methionine","bmse000059",19,76.1774,4.19
"S_adenosyl_L_methionine","bmse000059",20,75.6933,3.46
"S_adenosyl_L_methionine","bmse000059",21,75.4417,10.55
"S_adenosyl_L_methionine","bmse000059",22,75.2896,11.21
"S_adenosyl_L_methionine","bmse000059",23,75.2102,3.9
"S_adenosyl_L_methionine","bmse000059",24,75.0576,4.66
"S_adenosyl_L_methionine","bmse000059",25,61.3914,4.52
"S_adenosyl_L_methionine","bmse000059",26,60.181,3.6
"S_adenosyl_L_methionine","bmse000059",27,56.1328,4.11
"S_adenosyl_L_methionine","bmse000059",28,55.5398,11.64
"S_adenosyl_L_methionine","bmse000059",29,55.4732,3.85
"S_adenosyl_L_methionine","bmse000059",30,51.6245,1.02
"S_adenosyl_L_methionine","bmse000059",31,47.0027,7.3
"S_adenosyl_L_methionine","bmse000059",32,41.6503,2.53
"S_adenosyl_L_methionine","bmse000059",33,41.5608,8
"S_adenosyl_L_methionine","bmse000059",34,39.296,1.04
"S_adenosyl_L_methionine","bmse000059",35,38.5747,3.27
"S_adenosyl_L_methionine","bmse000059",36,34.9032,4.07
"S_adenosyl_L_methionine","bmse000059",37,28.138,8.12
"S_adenosyl_L_methionine","bmse000059",38,27.9802,2.58
"S_adenosyl_L_methionine","bmse000059",39,26.5384,1.05
"S_adenosyl_L_methionine","bmse000059",40,26.4688,3.89
"S_adenosyl_L_methionine","bmse000059",41,26.1398,11.37
"S_adenosyl_L_methionine","bmse000059",42,19.5416,3.82
"S_adenosyl_L_methionine","bmse000059",43,18.0425,2.93
"taurine","bmse000120",1,50.2124,12.5
"taurine","bmse000120",2,38.0682,11.7
"L_threitol","bmse000121",1,74.3047,12.5
"L_threitol","bmse000121",2,65.3263,12.42
"trans_4_hydroxy_L_proline","bmse000123",1,177.0263,1.29
"trans_4_hydroxy_L_proline","bmse000123",2,72.7686,12.34
"trans_4_hydroxy_L_proline","bmse000123",3,62.5265,8.41
"trans_4_hydroxy_L_proline","bmse000123",4,55.643,12.5
"trans_4_hydroxy_L_proline","bmse000123",5,40.1298,9.82
"trans_cinnamic_acid","bmse000124",1,143.5556,4.31
"trans_cinnamic_acid","bmse000124",2,137.8775,1.34
"trans_cinnamic_acid","bmse000124",3,132.3324,6.15
"trans_cinnamic_acid","bmse000124",4,131.6902,9.94
"trans_cinnamic_acid","bmse000124",5,130.4135,12.5
"trans_cinnamic_acid","bmse000124",6,126.8267,3.92
"D_trehalose","bmse000125",1,95.9171,12.5
"D_trehalose","bmse000125",2,75.2081,11.88
"D_trehalose","bmse000125",3,74.8491,10.1
"D_trehalose","bmse000125",4,73.7422,9.97
"D_trehalose","bmse000125",5,72.3894,11.58
"D_trehalose","bmse000125",6,63.2132,8.55
"uric_acid","bmse000126",1,167.6653,6.04
"uric_acid","bmse000126",2,165.3393,12.5
"uric_acid","bmse000126",3,162.2146,6.72
"uric_acid","bmse000126",4,156.4958,8.87
"uric_acid","bmse000126",5,104.5779,6.55
"xanthine","bmse000127",1,163.3303,1.9
"xanthine","bmse000127",2,161.9958,1.23
"xanthine","bmse000127",3,158.0123,1.54
"xanthine","bmse000127",4,142.7225,12.5
"xanthine","bmse000127",5,116.2503,1.15
"xanthosine","bmse000128",1,163.7475,1.41
"xanthosine","bmse000128",2,162.2764,1.3
"xanthosine","bmse000128",3,155.8547,2.56
"xanthosine","bmse000128",4,140.0607,9.27
"xanthosine","bmse000128",5,118.2068,1.28
"xanthosine","bmse000128",6,90.6608,11.73
"xanthosine","bmse000128",7,88.5324,12.41
"xanthosine","bmse000128",8,75.9737,12.5
"xanthosine","bmse000128",9,73.5577,11.03
"xanthosine","bmse000128",10,64.3556,8.81
"xylitol","bmse000129",1,74.6275,11.33
"xylitol","bmse000129",2,73.4743,6.7
"xylitol","bmse000129",3,65.3143,12.5
"tyramine","bmse000243",1,157.2984,1.41
"tyramine","bmse000243",2,132.9956,12.5
"tyramine","bmse000243",3,131.1649,2.03
"tyramine","bmse000243",4,118.5125,12.18
"tyramine","bmse000243",5,43.4518,5.34
"tyramine","bmse000243",6,34.6329,6.06
"L_carnosine","bmse000246",1,180.2008,3.84
"L_carnosine","bmse000246",2,174.3323,4.86
"L_carnosine","bmse000246",3,137.5197,9.53
"L_carnosine","bmse000246",4,134.6631,4.69
"L_carnosine","bmse000246",5,119.8491,10.48
"L_carnosine","bmse000246",6,57.5784,11.65
"L_carnosine","bmse000246",7,38.3703,11.44
"L_carnosine","bmse000246",8,34.7671,12.5
"L_carnosine","bmse000246",9,30.9947,9.98
"glycolate","bmse000245",1,182.6562,5.25
"glycolate","bmse000245",2,63.9098,12.5
"1_3_dimethylurea","bmse000248",1,29.1399,12.5
"D_glucosamine","bmse000247",1,96.7337,8.51
"D_glucosamine","bmse000247",2,92.4167,12.41
"D_glucosamine","bmse000247",3,78.843,9.89
"D_glucosamine","bmse000247",4,75.8685,8.3
"D_glucosamine","bmse000247",5,74.3489,12.5
"D_glucosamine","bmse000247",6,72.9419,11.22
"D_glucosamine","bmse000247",7,72.4037,9.8
"D_glucosamine","bmse000247",8,72.3301,12.04
"D_glucosamine","bmse000247",9,63.2894,7.62
"D_glucosamine","bmse000247",10,63.0782,11.08
"D_glucosamine","bmse000247",11,59.6847,8.44
"D_glucosamine","bmse000247",12,57.1428,11.73
"isethionic_acid","bmse000242",1,59.6397,12.02
"isethionic_acid","bmse000242",2,55.5295,12.5
"N_N_dimethylglycine","bmse000241",1,62.5717,6.55
"N_N_dimethylglycine","bmse000241",2,46.2286,12.5
"dihydroxyacetone","bmse000144",1,214.7833,3.78
"dihydroxyacetone","bmse000144",2,97.773,1.6
"dihydroxyacetone","bmse000144",3,66.2429,12.5
"N_acetyl_L_glutamine","bmse000145",1,181.3622,2.37
"N_acetyl_L_glutamine","bmse000145",2,181.1277,3.44
"N_acetyl_L_glutamine","bmse000145",3,176.3862,3.32
"N_acetyl_L_glutamine","bmse000145",4,57.3658,12.5
"N_acetyl_L_glutamine","bmse000145",5,34.4405,9.75
"N_acetyl_L_glutamine","bmse000145",6,30.4549,10.18
"N_acetyl_L_glutamine","bmse000145",7,24.6247,9.17
"ADA","bmse000146",1,180.0279,1.66
"ADA","bmse000146",2,60.0622,12.5
"ADA","bmse000146",3,59.955,1.44
"4_aminoantipyrine","bmse000147",1,144.7673,1.72
"4_aminoantipyrine","bmse000147",2,135.763,1.74
"4_aminoantipyrine","bmse000147",3,132.3952,12.5
"4_aminoantipyrine","bmse000147",4,131.8174,5.85
"4_aminoantipyrine","bmse000147",5,129.3212,12.35
"4_aminoantipyrine","bmse000147",6,37.2322,4.81
"4_aminoantipyrine","bmse000147",7,11.7408,4.42
"acetylcarnitine","bmse000142",1,179.354,4.03
"acetylcarnitine","bmse000142",2,175.4615,4.06
"acetylcarnitine","bmse000142",3,70.835,4.53
"acetylcarnitine","bmse000142",4,69.5734,12.5
"acetylcarnitine","bmse000142",5,56.5103,12.2
"acetylcarnitine","bmse000142",6,42.9071,9.73
"acetylcarnitine","bmse000142",7,23.3168,9.11
"5_acetylamido_2_chloroaniline","bmse000143",1,139.2064,3.06
"5_acetylamido_2_chloroaniline","bmse000143",2,132.3826,12.5
"5_acetylamido_2_chloroaniline","bmse000143",3,116.2078,11.5
"5_acetylamido_2_chloroaniline","bmse000143",4,112.9825,11.85
"5_acetylamido_2_chloroaniline","bmse000143",5,25.522,8.76
"uracil","bmse000187",1,170.2202,1.35
"uracil","bmse000187",2,146.2032,10.52
"uracil","bmse000187",3,103.7407,12.5
"cytidine","bmse000190",1,168.8862,2.92
"cytidine","bmse000190",2,160.3399,2.39
"cytidine","bmse000190",3,144.3268,8.93
"cytidine","bmse000190",4,98.9421,9.02
"cytidine","bmse000190",5,92.9764,11.59
"cytidine","bmse000190",6,86.4726,11.93
"cytidine","bmse000190",7,76.6665,12.26
"cytidine","bmse000190",8,71.9801,12.5
"cytidine","bmse000190",9,63.4255,9.89
"propionic_acid","bmse000179",1,187.7472,2.27
"propionic_acid","bmse000179",2,33.4143,12.5
"propionic_acid","bmse000179",3,12.8911,11.53
"cytosine","bmse000180",1,170.1095,1.09
"cytosine","bmse000180",2,145.8461,10.28
"cytosine","bmse000180",3,97.8181,12.5
"3_hydroxybutyrate","bmse000161",1,183.1934,2.18
"3_hydroxybutyrate","bmse000161",2,68.3994,9.53
"3_hydroxybutyrate","bmse000161",3,49.2195,12.5
"3_hydroxybutyrate","bmse000161",4,24.4317,11.28
"sarcosine","bmse000160",1,174.1787,1.69
"sarcosine","bmse000160",2,53.5151,12.5
"sarcosine","bmse000160",3,35.3495,10.56
"beta_alanine","bmse000159",1,181.1398,1.61
"beta_alanine","bmse000159",2,39.2339,9.51
"beta_alanine","bmse000159",3,36.2855,12.5
"uridine","bmse000158",1,169.0394,2.54
"uridine","bmse000158",2,154.4569,2.08
"uridine","bmse000158",3,144.529,8.58
"uridine","bmse000158",4,104.9743,9.81
"uridine","bmse000158",5,92.0363,11.1
"uridine","bmse000158",6,86.9005,11.88
"uridine","bmse000158",7,76.3651,11.81
"uridine","bmse000158",8,72.0985,12.5
"uridine","bmse000158",9,63.4211,9.74
"N_acetyl_L_alanine","bmse000157",1,183.142,2.18
"N_acetyl_L_alanine","bmse000157",2,176.0277,2.41
"N_acetyl_L_alanine","bmse000157",3,53.6895,12.5
"N_acetyl_L_alanine","bmse000157",4,24.5618,8.98
"N_acetyl_L_alanine","bmse000157",5,20.0042,11.11
"trimethyl_phosphonoacetate","bmse000156",1,56.6257,8.02
"trimethyl_phosphonoacetate","bmse000156",2,56.5607,8.02
"trimethyl_phosphonoacetate","bmse000156",3,55.9903,12.5
"creatinine","bmse000155",1,191.713,2.26
"creatinine","bmse000155",2,59.1239,12.5
"creatinine","bmse000155",3,58.8527,2.53
"creatinine","bmse000155",4,58.6295,1.96
"creatinine","bmse000155",5,32.9001,9.73
"4_2_aminoethyl_morpholine","bmse000154",1,68.8872,12.21
"4_2_aminoethyl_morpholine","bmse000154",2,56.9694,6.45
"4_2_aminoethyl_morpholine","bmse000154",3,55.1945,12.5
"4_2_aminoethyl_morpholine","bmse000154",4,38.3707,5.31
"L_methionine_methylsulfonium_iodide","bmse000153",1,176.1278,2.46
"L_methionine_methylsulfonium_iodide","bmse000153",2,55.6328,12.37
"L_methionine_methylsulfonium_iodide","bmse000153",3,42.2714,10.53
"L_methionine_methylsulfonium_iodide","bmse000153",4,28.1127,10.06
"L_methionine_methylsulfonium_iodide","bmse000153",5,27.4753,11.87
"L_methionine_methylsulfonium_iodide","bmse000153",6,27.4428,12.5
"trigonelline","bmse000152",1,170.5429,1.63
"trigonelline","bmse000152",2,148.7294,3.53
"trigonelline","bmse000152",3,148.5432,3.12
"trigonelline","bmse000152",4,147.4509,9.81
"trigonelline","bmse000152",5,139.591,3.58
"trigonelline","bmse000152",6,130.3808,12.5
"trigonelline","bmse000152",7,50.9868,3.8
"L_kynurenine","bmse000172",1,202.7838,4.18
"L_kynurenine","bmse000172",2,176.9655,3.82
"L_kynurenine","bmse000172",3,153.0281,3.8
"L_kynurenine","bmse000172",4,138.3201,10.63
"L_kynurenine","bmse000172",5,134.0077,10.47
"L_kynurenine","bmse000172",6,120.7487,12.5
"L_kynurenine","bmse000172",7,120.1347,3.19
"L_kynurenine","bmse000172",8,119.5469,11.71
"L_kynurenine","bmse000172",9,53.4373,9.6
"L_kynurenine","bmse000172",10,53.3893,1.75
"L_kynurenine","bmse000172",11,41.6724,9.4
"4_hydroxyphenethyl_alcohol","bmse000173",1,156.5231,1.3
"4_hydroxyphenethyl_alcohol","bmse000173",2,133.6531,2.03
"4_hydroxyphenethyl_alcohol","bmse000173",3,133.0108,12.05
"4_hydroxyphenethyl_alcohol","bmse000173",4,118.0973,12.5
"4_hydroxyphenethyl_alcohol","bmse000173",5,65.4628,5.4
"4_hydroxyphenethyl_alcohol","bmse000173",6,39.6054,5.27
"L_glutathione_oxidized","bmse000170",1,179.0431,5.08
"L_glutathione_oxidized","bmse000170",2,177.7295,7.27
"L_glutathione_oxidized","bmse000170",3,176.8436,5.71
"L_glutathione_oxidized","bmse000170",4,174.576,7.14
"L_glutathione_oxidized","bmse000170",5,56.7983,12.5
"L_glutathione_oxidized","bmse000170",6,55.2962,6.93
"L_glutathione_oxidized","bmse000170",7,46.1769,10
"L_glutathione_oxidized","bmse000170",8,41.3939,5.3
"L_glutathione_oxidized","bmse000170",9,34.0976,8.71
"L_glutathione_oxidized","bmse000170",10,28.9834,9.22
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",1,137.9087,2.24
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",2,137.8673,2.37
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",3,131.376,12.5
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",4,131.3613,12.49
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",5,130.699,5.71
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",6,130.6797,5.71
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",7,130.3647,10.88
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",8,130.3201,11.19
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",9,58.3213,5.52
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",10,57.0571,5.41
"2_amino_5_ethyl_1_3_4_thiadiazole","bmse000176",1,168.4472,1.23
"2_amino_5_ethyl_1_3_4_thiadiazole","bmse000176",2,25.8692,12.5
"2_amino_5_ethyl_1_3_4_thiadiazole","bmse000176",3,15.8228,11.49
"indole_3_acetic_acid","bmse000177",1,184.4014,2.14
"indole_3_acetic_acid","bmse000177",2,138.8639,1.78
"indole_3_acetic_acid","bmse000177",3,129.8341,1.84
"indole_3_acetic_acid","bmse000177",4,126.7302,9.37
"indole_3_acetic_acid","bmse000177",5,124.4124,12.5
"indole_3_acetic_acid","bmse000177",6,121.7961,11.6
"indole_3_acetic_acid","bmse000177",7,121.3961,11.96
"indole_3_acetic_acid","bmse000177",8,114.4077,11.75
"indole_3_acetic_acid","bmse000177",9,113.0393,2.26
"indole_3_acetic_acid","bmse000177",10,36.6627,11.8
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",1,177.1121,2.86
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",2,175.8429,2.97
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",3,146.1205,4.91
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",4,142.1751,2.25
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",5,140.3992,5.19
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",6,135.1671,1.17
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",7,128.5755,12.5
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",8,122.2003,7.85
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",9,120.5307,8.5
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",10,26.0734,7.9
"inosine_5_monophosphate","bmse000175",1,161.425,3.75
"inosine_5_monophosphate","bmse000175",2,151.4802,4.81
"inosine_5_monophosphate","bmse000175",3,149.0993,9.26
"inosine_5_monophosphate","bmse000175",4,142.6513,8.28
"inosine_5_monophosphate","bmse000175",5,126.224,3.55
"inosine_5_monophosphate","bmse000175",6,90.0513,11.57
"inosine_5_monophosphate","bmse000175",7,87.5897,6.17
"inosine_5_monophosphate","bmse000175",8,87.5029,6.25
"inosine_5_monophosphate","bmse000175",9,77.4723,12.43
"inosine_5_monophosphate","bmse000175",10,73.3415,12.5
"inosine_5_monophosphate","bmse000175",11,66.1817,4.69
"inosine_5_monophosphate","bmse000175",12,66.1371,4.9
"acetylcholine","bmse000168",1,175.9351,1.7
"acetylcholine","bmse000168",2,67.2352,3.17
"acetylcholine","bmse000168",3,67.2022,3.69
"acetylcholine","bmse000168",4,67.1693,3.21
"acetylcholine","bmse000168",5,61.0489,9.91
"acetylcholine","bmse000168",6,56.5037,10.75
"acetylcholine","bmse000168",7,56.4653,12.5
"acetylcholine","bmse000168",8,56.4269,11.09
"acetylcholine","bmse000168",9,22.907,5.01
"L_selenomethionine","bmse000169",1,177.0007,2.6
"L_selenomethionine","bmse000169",2,57.4374,11.47
"L_selenomethionine","bmse000169",3,33.6291,11.68
"L_selenomethionine","bmse000169",4,21.9577,12.5
"L_selenomethionine","bmse000169",5,5.9908,6.84
"L_carnitine","bmse000211",1,180.7932,2.55
"L_carnitine","bmse000211",2,72.8484,3.55
"L_carnitine","bmse000211",3,72.8194,4.35
"L_carnitine","bmse000211",4,72.7905,3.77
"L_carnitine","bmse000211",5,66.787,9.83
"L_carnitine","bmse000211",6,56.8352,10.16
"L_carnitine","bmse000211",7,56.7971,12.5
"L_carnitine","bmse000211",8,56.7587,10.72
"L_carnitine","bmse000211",9,45.6836,6.68
"2_deoxyguanosine_5_triphosphate","bmse000210",1,161.5994,4.1
"2_deoxyguanosine_5_triphosphate","bmse000210",2,156.5483,6.62
"2_deoxyguanosine_5_triphosphate","bmse000210",3,153.9201,3.76
"2_deoxyguanosine_5_triphosphate","bmse000210",4,140.177,4.97
"2_deoxyguanosine_5_triphosphate","bmse000210",5,118.7094,3.56
"2_deoxyguanosine_5_triphosphate","bmse000210",6,88.3356,4.95
"2_deoxyguanosine_5_triphosphate","bmse000210",7,88.2497,5.03
"2_deoxyguanosine_5_triphosphate","bmse000210",8,86.1217,10.42
"2_deoxyguanosine_5_triphosphate","bmse000210",9,85.9663,1.24
"2_deoxyguanosine_5_triphosphate","bmse000210",10,73.5912,12.5
"2_deoxyguanosine_5_triphosphate","bmse000210",11,73.4257,1.36
"2_deoxyguanosine_5_triphosphate","bmse000210",12,68.0836,4.3
"2_deoxyguanosine_5_triphosphate","bmse000210",13,68.0298,4.01
"2_deoxyguanosine_5_triphosphate","bmse000210",14,60.1564,2.92
"2_deoxyguanosine_5_triphosphate","bmse000210",15,41.4696,9.7
"2_deoxyguanosine_5_triphosphate","bmse000210",16,19.5226,3.19
"L_glutathione_reduced","bmse000185",1,179.0844,3.34
"L_glutathione_reduced","bmse000185",2,177.7381,6.24
"L_glutathione_reduced","bmse000185",3,176.8762,4.09
"L_glutathione_reduced","bmse000185",4,174.517,4.49
"L_glutathione_reduced","bmse000185",5,58.485,9.28
"L_glutathione_reduced","bmse000185",6,56.8252,12.5
"L_glutathione_reduced","bmse000185",7,46.0594,11.98
"L_glutathione_reduced","bmse000185",8,34.0617,10.25
"L_glutathione_reduced","bmse000185",9,28.9279,10.05
"L_glutathione_reduced","bmse000185",10,28.2991,8.79
"L-ascorbate","bmse000182",1,180.3168,1.43
"L-ascorbate","bmse000182",2,178.4832,2.74
"L-ascorbate","bmse000182",3,115.802,1.21
"L-ascorbate","bmse000182",4,81.1004,12.5
"L-ascorbate","bmse000182",5,72.2534,11.82
"L-ascorbate","bmse000182",6,65.2522,10.99
"glycerol","bmse000184",1,74.7687,5.34
"glycerol","bmse000184",2,65.1855,12.5
"succinic_acid","bmse000183",1,185.1723,12.5
"diethyl_oxalacetate","bmse000148",1,175.4103,2.81
"diethyl_oxalacetate","bmse000148",2,174.3091,2.64
"diethyl_oxalacetate","bmse000148",3,173.4326,3.11
"diethyl_oxalacetate","bmse000148",4,168.1048,3.57
"diethyl_oxalacetate","bmse000148",5,163.0751,2.84
"diethyl_oxalacetate","bmse000148",6,107.9727,2.93
"diethyl_oxalacetate","bmse000148",7,66.4032,12.5
"diethyl_oxalacetate","bmse000148",8,64.8073,11.65
"diethyl_oxalacetate","bmse000148",9,63.2252,12.35
"diethyl_oxalacetate","bmse000148",10,60.1425,6.53
"diethyl_oxalacetate","bmse000148",11,19.5054,7.69
"diethyl_oxalacetate","bmse000148",12,16.4349,10.31
"diethyl_oxalacetate","bmse000148",13,16.0264,10.85
"diethyl_oxalacetate","bmse000148",14,15.8307,11.05
"diethyl_oxalacetate","bmse000148",15,8.3719,1.46
"methyl_4_aminobutyrate","bmse000249",1,178.332,2.3
"methyl_4_aminobutyrate","bmse000249",2,55.0318,9.91
"methyl_4_aminobutyrate","bmse000249",3,41.3931,9.31
"methyl_4_aminobutyrate","bmse000249",4,33.2371,12.5
"methyl_4_aminobutyrate","bmse000249",5,24.7364,10.01
"acetic_acid","bmse000191",1,25.9921,12.5
"DL_alpha_glycerol_phosphate","bmse000193",1,74.017,6.6
"DL_alpha_glycerol_phosphate","bmse000193",2,73.9509,6.61
"DL_alpha_glycerol_phosphate","bmse000193",3,67.5764,6.42
"DL_alpha_glycerol_phosphate","bmse000193",4,67.5279,6.33
"DL_alpha_glycerol_phosphate","bmse000193",5,64.9909,12.5
"L_arginine_L_glutamate","bmse000194",1,184.0271,2.62
"L_arginine_L_glutamate","bmse000194",2,177.3004,2.69
"L_arginine_L_glutamate","bmse000194",3,177.2486,3.51
"L_arginine_L_glutamate","bmse000194",4,159.5217,1.58
"L_arginine_L_glutamate","bmse000194",5,57.3276,11.34
"L_arginine_L_glutamate","bmse000194",6,56.9877,12.33
"L_arginine_L_glutamate","bmse000194",7,43.187,10.69
"L_arginine_L_glutamate","bmse000194",8,36.1773,12.5
"L_arginine_L_glutamate","bmse000194",9,30.2821,11.31
"L_arginine_L_glutamate","bmse000194",10,29.6813,11.66
"L_arginine_L_glutamate","bmse000194",11,26.565,9.36
"N_alpha_acetyl_DL_ornithine","bmse000195",1,181.278,2.84
"N_alpha_acetyl_DL_ornithine","bmse000195",2,176.3942,3.3
"N_alpha_acetyl_DL_ornithine","bmse000195",3,57.2647,12.5
"N_alpha_acetyl_DL_ornithine","bmse000195",4,41.7026,11.36
"N_alpha_acetyl_DL_ornithine","bmse000195",5,31.2562,11.58
"N_alpha_acetyl_DL_ornithine","bmse000195",6,26.1175,10.85
"N_alpha_acetyl_DL_ornithine","bmse000195",7,24.6039,9.43
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",1,177.1802,4.22
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",2,100.7816,12.14
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",3,74.3693,12.5
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",4,73.8173,11.87
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",5,72.6604,11.86
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",6,63.2442,9.78
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",7,57.84,10.7
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",8,56.3295,11.36
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",9,24.5939,9.03
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",1,177.4262,6.89
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",2,95.5064,6.59
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",3,95.4519,6.61
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",4,74.8112,12.48
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",5,74.1248,11.53
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",6,72.717,12.5
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",7,63.3991,10.48
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",8,60.1385,1.19
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",9,56.8941,6.31
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",10,56.82,5.92
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",11,24.8547,11.82
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",12,19.5064,1.35
"6_phosphogluconic_acid","bmse000198",1,181.6058,3.57
"6_phosphogluconic_acid","bmse000198",2,76.871,10.24
"6_phosphogluconic_acid","bmse000198",3,74.5728,12.34
"6_phosphogluconic_acid","bmse000198",4,73.5923,12.5
"6_phosphogluconic_acid","bmse000198",5,73.3427,6.13
"6_phosphogluconic_acid","bmse000198",6,73.2817,6
"6_phosphogluconic_acid","bmse000198",7,67.8378,5.3
"6_phosphogluconic_acid","bmse000198",8,67.7897,5.02
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",1,177.4856,7.09
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",2,169.018,6.26
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",3,154.5678,4.71
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",4,144.3458,8.41
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",5,105.3664,9.76
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",6,97.2217,5.52
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",7,97.1586,5.3
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",8,91.2324,10.4
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",9,85.9265,5.45
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",10,85.8356,5.37
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",11,76.5038,12.5
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",12,75.7265,10.47
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",13,73.618,9.4
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",14,72.3363,12.03
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",15,72.1894,10.68
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",16,67.7104,4.06
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",17,67.6547,4.21
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",18,63.011,8.29
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",19,56.4123,4.85
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",20,56.3279,4.86
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",21,24.8017,11.06
"D_glucosamine_6_phosphate","bmse000189",1,96.7641,3.96
"D_glucosamine_6_phosphate","bmse000189",2,92.5468,9.11
"D_glucosamine_6_phosphate","bmse000189",3,78.573,7.72
"D_glucosamine_6_phosphate","bmse000189",4,78.5029,8.09
"D_glucosamine_6_phosphate","bmse000189",5,75.3,3.82
"D_glucosamine_6_phosphate","bmse000189",6,74.241,8.9
"D_glucosamine_6_phosphate","bmse000189",7,74.1735,8.79
"D_glucosamine_6_phosphate","bmse000189",8,72.61,7.6
"D_glucosamine_6_phosphate","bmse000189",9,72.216,8.01
"D_glucosamine_6_phosphate","bmse000189",10,72.0861,11.81
"D_glucosamine_6_phosphate","bmse000189",11,65.6945,5.67
"D_glucosamine_6_phosphate","bmse000189",12,65.5318,8.2
"D_glucosamine_6_phosphate","bmse000189",13,59.9922,8.37
"D_glucosamine_6_phosphate","bmse000189",14,57.442,12.5
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",1,177.6459,3.99
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",2,177.3558,6.21
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",3,97.9785,9.64
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",4,93.8355,12.5
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",5,78.3788,4.55
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",6,78.3082,5
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",7,76.3335,8.77
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",8,74.1312,5.77
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",9,74.0636,5.71
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",10,73.273,9.62
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",11,72.5985,6.43
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",12,72.4066,4.3
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",13,65.8183,6.34
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",14,59.7314,6.92
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",15,57.09,11.32
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",16,25.09,7.17
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",17,24.8284,8.82
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",18,24.6366,2.13
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",19,8.3826,2.3
"formate","bmse000203",1,173.8915,12.5
"HEPES","bmse000202",1,60.8048,5.44
"HEPES","bmse000202",2,58.5772,7.51
"HEPES","bmse000202",3,54.5149,8.11
"HEPES","bmse000202",4,54.0844,12.5
"HEPES","bmse000202",5,52.383,11.07
"HEPES","bmse000202",6,50.0053,7.83
"D_citrulline","bmse000209",1,177.3935,5.6
"D_citrulline","bmse000209",2,164.2858,1.35
"D_citrulline","bmse000209",3,57.1942,10.87
"D_citrulline","bmse000209",4,41.9172,1.9
"D_citrulline","bmse000209",5,30.442,12.5
"D_citrulline","bmse000209",6,27.6603,6.22
"tryptamine","bmse000207",1,139.1467,1.96
"tryptamine","bmse000207",2,129.1548,2.05
"tryptamine","bmse000207",3,127.0515,9.42
"tryptamine","bmse000207",4,124.8771,12.23
"tryptamine","bmse000207",5,122.1292,11.7
"tryptamine","bmse000207",6,121.0332,11.62
"tryptamine","bmse000207",7,114.7782,11.66
"tryptamine","bmse000207",8,111.7871,2.5
"tryptamine","bmse000207",9,42.4461,10.28
"tryptamine","bmse000207",10,25.3872,12.5
"caffeine","bmse000206",1,158.3677,2.3
"caffeine","bmse000206",2,154.8444,2.1
"caffeine","bmse000206",3,150.6943,2.53
"caffeine","bmse000206",4,146.1726,12.5
"caffeine","bmse000206",5,109.992,1.93
"caffeine","bmse000206",6,36.1671,12
"caffeine","bmse000206",7,32.5176,11.72
"caffeine","bmse000206",8,30.6092,12.15
"DL_serine","bmse000222",1,175.1858,1.49
"DL_serine","bmse000222",2,62.8818,12.5
"DL_serine","bmse000222",3,59.0696,9.18
"kanamycin","bmse000201",1,103.0882,11.25
"kanamycin","bmse000201",2,99.3708,11.19
"kanamycin","bmse000201",3,87.4547,11.03
"kanamycin","bmse000201",4,82.3518,10.12
"kanamycin","bmse000201",5,76.1335,11.05
"kanamycin","bmse000201",6,75.2746,11.27
"kanamycin","bmse000201",7,74.8051,11.96
"kanamycin","bmse000201",8,73.8216,11.92
"kanamycin","bmse000201",9,73.7132,12.5
"kanamycin","bmse000201",10,71.3274,11.8
"kanamycin","bmse000201",11,71.2135,10.89
"kanamycin","bmse000201",12,68.4669,11.25
"kanamycin","bmse000201",13,62.5738,8.79
"kanamycin","bmse000201",14,57.6876,10.31
"kanamycin","bmse000201",15,52.8142,10.87
"kanamycin","bmse000201",16,50.8624,10.67
"kanamycin","bmse000201",17,43.1772,9.79
"kanamycin","bmse000201",18,32.4006,6.43
"D_galacturonic_acid","bmse000216",1,178.7328,1.92
"D_galacturonic_acid","bmse000216",2,177.8683,2.95
"D_galacturonic_acid","bmse000216",3,103.6266,1.14
"D_galacturonic_acid","bmse000216",4,98.6973,11.64
"D_galacturonic_acid","bmse000216",5,94.8821,8.1
"D_galacturonic_acid","bmse000216",6,86.1096,1.16
"D_galacturonic_acid","bmse000216",7,83.8927,1.25
"D_galacturonic_acid","bmse000216",8,78.2191,12.5
"D_galacturonic_acid","bmse000216",9,75.5921,12.15
"D_galacturonic_acid","bmse000216",10,74.2733,11.54
"D_galacturonic_acid","bmse000216",11,74.0687,8.3
"D_galacturonic_acid","bmse000216",12,73.5175,7.92
"D_galacturonic_acid","bmse000216",13,73.4128,1.2
"D_galacturonic_acid","bmse000216",14,73.0403,11.9
"D_galacturonic_acid","bmse000216",15,72.0425,8.11
"D_galacturonic_acid","bmse000216",16,70.7295,8.19
"melibiose","bmse000215",1,100.9074,4.94
"melibiose","bmse000215",2,100.8624,8.18
"melibiose","bmse000215",3,98.7735,7.77
"melibiose","bmse000215",4,94.8936,4.8
"melibiose","bmse000215",5,78.5818,7.92
"melibiose","bmse000215",6,77.0481,7.86
"melibiose","bmse000215",7,76.7432,7.91
"melibiose","bmse000215",8,75.641,4.51
"melibiose","bmse000215",9,74.115,4.66
"melibiose","bmse000215",10,73.6521,8.63
"melibiose","bmse000215",11,72.7897,4.38
"melibiose","bmse000215",12,72.2675,4.58
"melibiose","bmse000215",13,72.1681,11.13
"melibiose","bmse000215",14,72.1168,8.41
"melibiose","bmse000215",15,71.8969,12.5
"melibiose","bmse000215",16,71.1809,5.01
"melibiose","bmse000215",17,71.1499,8
"melibiose","bmse000215",18,68.5997,3.4
"melibiose","bmse000215",19,68.5048,5.74
"melibiose","bmse000215",20,63.7993,7.48
"raffinose","bmse000221",1,106.4984,12
"raffinose","bmse000221",2,101.1619,11.75
"raffinose","bmse000221",3,94.8107,10.5
"raffinose","bmse000221",4,84.0386,10.37
"raffinose","bmse000221",5,78.9908,10.66
"raffinose","bmse000221",6,76.6708,10.74
"raffinose","bmse000221",7,75.3481,10.62
"raffinose","bmse000221",8,74.0893,10.03
"raffinose","bmse000221",9,73.7298,10.76
"raffinose","bmse000221",10,73.6491,10.76
"raffinose","bmse000221",11,72.1375,11.45
"raffinose","bmse000221",12,72.0811,10.61
"raffinose","bmse000221",13,71.8977,12.5
"raffinose","bmse000221",14,71.1782,10.63
"raffinose","bmse000221",15,68.5609,7.4
"raffinose","bmse000221",16,65.174,9.27
"raffinose","bmse000221",17,64.0591,8.59
"raffinose","bmse000221",18,63.8064,10.78
"phenylacetic_acid","bmse000220",1,140.0132,1.48
"phenylacetic_acid","bmse000220",2,131.8678,12.4
"phenylacetic_acid","bmse000220",3,131.3739,12.5
"phenylacetic_acid","bmse000220",4,129.1624,7.27
"phenylacetic_acid","bmse000220",5,47.1763,7.68
"quinolinic_acid","bmse000219",1,151.0633,4.64
"quinolinic_acid","bmse000219",2,139.9295,12.5
"quinolinic_acid","bmse000219",3,134.2225,1.66
"quinolinic_acid","bmse000219",4,126.3609,1.43
"L_arabinose","bmse000213",1,99.4707,11.84
"L_arabinose","bmse000213",2,95.2773,6.36
"L_arabinose","bmse000213",3,85.6557,1.01
"L_arabinose","bmse000213",4,75.1558,12.46
"L_arabinose","bmse000213",5,74.5445,11.65
"L_arabinose","bmse000213",6,71.3975,5.23
"L_arabinose","bmse000213",7,71.291,6.33
"L_arabinose","bmse000213",8,71.19,12.5
"L_arabinose","bmse000213",9,71.1316,6.46
"L_arabinose","bmse000213",10,69.092,10.76
"L_arabinose","bmse000213",11,65.1629,5.63
"L_arabinose","bmse000213",12,63.7809,1.01
"maleic_acid","bmse000212",1,178.0156,12.5
"maleic_acid","bmse000212",2,138.0455,2.52
"trimethylamine","bmse000224",1,47.3627,12.5
"FAD","bmse000226",1,164.0687,6.03
"FAD","bmse000226",2,160.4644,6.44
"FAD","bmse000226",3,157.4008,5.27
"FAD","bmse000226",4,155.0401,6.79
"FAD","bmse000226",5,153.2024,6.31
"FAD","bmse000226",6,152.7018,4.88
"FAD","bmse000226",7,150.7506,8.42
"FAD","bmse000226",8,141.8033,9.25
"FAD","bmse000226",9,137.3022,7.38
"FAD","bmse000226",10,136.7199,6.9
"FAD","bmse000226",11,134.1126,5.24
"FAD","bmse000226",12,133.1145,6.31
"FAD","bmse000226",13,120.4006,4.97
"FAD","bmse000226",14,119.1392,5.98
"FAD","bmse000226",15,89.8286,8.42
"FAD","bmse000226",16,86.1706,4.9
"FAD","bmse000226",17,77.5902,9.53
"FAD","bmse000226",18,75.1902,7.63
"FAD","bmse000226",19,73.8874,4.74
"FAD","bmse000226",20,72.6742,9.77
"FAD","bmse000226",21,72.0204,7.14
"FAD","bmse000226",22,49.8304,4.6
"FAD","bmse000226",23,23.4503,12.23
"FAD","bmse000226",24,21.3064,12.5
"biotin","bmse000227",1,186.5202,3.08
"biotin","bmse000227",2,168.1155,1.31
"biotin","bmse000227",3,64.7083,11.47
"biotin","bmse000227",4,62.9655,10.94
"biotin","bmse000227",5,58.0656,12.5
"biotin","bmse000227",6,42.4481,10.02
"biotin","bmse000227",7,40.0331,11.31
"biotin","bmse000227",8,30.9897,10.73
"biotin","bmse000227",9,30.4007,10.87
"biotin","bmse000227",10,28.3888,11.03
"L_malic_acid","bmse000238",1,183.7653,2.22
"L_malic_acid","bmse000238",2,182.5621,2.11
"L_malic_acid","bmse000238",3,73.0565,11
"L_malic_acid","bmse000238",4,45.325,12.5
"DL_pipecolic_acid","bmse000237",1,177.3687,2.02
"DL_pipecolic_acid","bmse000237",2,61.7014,10.46
"DL_pipecolic_acid","bmse000237",3,46.3684,11.14
"DL_pipecolic_acid","bmse000237",4,29.2254,12.03
"DL_pipecolic_acid","bmse000237",5,24.5183,12.5
"DL_pipecolic_acid","bmse000237",6,24.2597,11.72
"alpha_naphthoic_acid","bmse000178",1,180.9525,1.22
"alpha_naphthoic_acid","bmse000178",2,140.3164,2.38
"alpha_naphthoic_acid","bmse000178",3,136.0023,3.43
"alpha_naphthoic_acid","bmse000178",4,131.8378,2.83
"alpha_naphthoic_acid","bmse000178",5,131.5775,11.93
"alpha_naphthoic_acid","bmse000178",6,130.9661,12.32
"alpha_naphthoic_acid","bmse000178",7,129.4469,11.78
"alpha_naphthoic_acid","bmse000178",8,128.9278,12.24
"alpha_naphthoic_acid","bmse000178",9,128.3008,11.2
"alpha_naphthoic_acid","bmse000178",10,128.1263,11.47
"alpha_naphthoic_acid","bmse000178",11,126.9179,12.5
"L_lactic_acid","bmse000208",1,185.2568,1.47
"L_lactic_acid","bmse000208",2,71.1986,10.31
"L_lactic_acid","bmse000208",3,22.7605,12.5
"thymidine","bmse000244",1,169.2606,1.96
"thymidine","bmse000244",2,154.4362,2.17
"thymidine","bmse000244",3,140.2111,10.41
"thymidine","bmse000244",4,114.1556,4.85
"thymidine","bmse000244",5,89.1962,12.5
"thymidine","bmse000244",6,87.7135,11.37
"thymidine","bmse000244",7,73.1301,12.1
"thymidine","bmse000244",8,63.8632,10.49
"thymidine","bmse000244",9,41.1957,10.46
"thymidine","bmse000244",10,14.2614,10.1
"citraconic_acid","bmse000199",1,182.5855,1.19
"citraconic_acid","bmse000199",2,177.0006,1.62
"citraconic_acid","bmse000199",3,150.7235,3.14
"citraconic_acid","bmse000199",4,122.9987,12.5
"citraconic_acid","bmse000199",5,23.083,10.26
"homogentisic_acid","bmse000200",1,183.4495,2.25
"homogentisic_acid","bmse000200",2,151.5798,3.49
"homogentisic_acid","bmse000200",3,150.3577,2.71
"homogentisic_acid","bmse000200",4,128.3103,4.07
"homogentisic_acid","bmse000200",5,120.3611,12.12
"homogentisic_acid","bmse000200",6,119.7948,12.5
"homogentisic_acid","bmse000200",7,117.1989,12.11
"homogentisic_acid","bmse000200",8,42.6626,11.69
"isonicotinic_acid","bmse000133",1,152.265,11.27
"isonicotinic_acid","bmse000133",2,143.3482,1.49
"isonicotinic_acid","bmse000133",3,124.3227,12.5
"homovanillic_acid","bmse000132",1,184.0342,2.31
"homovanillic_acid","bmse000132",2,149.9125,2.75
"homovanillic_acid","bmse000132",3,145.8277,2.64
"homovanillic_acid","bmse000132",4,132.7556,4.92
"homovanillic_acid","bmse000132",5,124.6363,12.01
"homovanillic_acid","bmse000132",6,118.1634,12.5
"homovanillic_acid","bmse000132",7,116.1596,11.86
"homovanillic_acid","bmse000132",8,58.5972,11.89
"homovanillic_acid","bmse000132",9,46.5865,11.75
"cyanuric_acid","bmse000135",1,158.7585,12.5
"ethacrynic_acid","bmse000134",1,202.3118,4.43
"ethacrynic_acid","bmse000134",2,177.9826,5
"ethacrynic_acid","bmse000134",3,158.7271,7.04
"ethacrynic_acid","bmse000134",4,152.4416,9.11
"ethacrynic_acid","bmse000134",5,134.6377,7.45
"ethacrynic_acid","bmse000134",6,134.3055,7.14
"ethacrynic_acid","bmse000134",7,133.1034,4.2
"ethacrynic_acid","bmse000134",8,130.6445,11.98
"ethacrynic_acid","bmse000134",9,124.6188,3.16
"ethacrynic_acid","bmse000134",10,113.5528,12.1
"ethacrynic_acid","bmse000134",11,70.3721,12.5
"ethacrynic_acid","bmse000134",12,25.8093,12.14
"ethacrynic_acid","bmse000134",13,14.5372,10.57
"itaconic_acid","bmse000137",1,183.4319,1.66
"itaconic_acid","bmse000137",2,144.4598,3.08
"itaconic_acid","bmse000137",3,124.7498,11.94
"itaconic_acid","bmse000137",4,44.7199,12.5
"amygdalin","bmse000139",1,135.1591,3.04
"amygdalin","bmse000139",2,133.2211,4.82
"amygdalin","bmse000139",3,132.0805,12.5
"amygdalin","bmse000139",4,130.5071,12.26
"amygdalin","bmse000139",5,121.2539,2.79
"amygdalin","bmse000139",6,105.5549,5
"amygdalin","bmse000139",7,104.1485,4.67
"amygdalin","bmse000139",8,78.6035,5.33
"amygdalin","bmse000139",9,78.2945,5.19
"amygdalin","bmse000139",10,78.182,4.9
"amygdalin","bmse000139",11,78.0819,4.95
"amygdalin","bmse000139",12,75.9,5.09
"amygdalin","bmse000139",13,75.4567,4.78
"amygdalin","bmse000139",14,72.369,5.36
"amygdalin","bmse000139",15,71.8621,4.67
"amygdalin","bmse000139",16,71.7644,5.77
"amygdalin","bmse000139",17,70.9831,3.34
"amygdalin","bmse000139",18,63.4233,3.79
"D_cellobiose","bmse000138",1,105.2663,8.21
"D_cellobiose","bmse000138",2,105.2381,5.61
"D_cellobiose","bmse000138",3,98.4528,7.32
"D_cellobiose","bmse000138",4,94.5197,4.61
"D_cellobiose","bmse000138",5,81.4215,4.68
"D_cellobiose","bmse000138",6,81.2838,7.67
"D_cellobiose","bmse000138",7,78.6932,12.12
"D_cellobiose","bmse000138",8,78.1874,12.5
"D_cellobiose","bmse000138",9,77.5013,7.76
"D_cellobiose","bmse000138",10,76.9856,7.78
"D_cellobiose","bmse000138",11,76.5907,7.38
"D_cellobiose","bmse000138",12,75.8703,9.08
"D_cellobiose","bmse000138",13,74.0348,4.8
"D_cellobiose","bmse000138",14,73.925,5.13
"D_cellobiose","bmse000138",15,72.8163,4.72
"D_cellobiose","bmse000138",16,72.1615,6.12
"D_cellobiose","bmse000138",17,72.1439,8.59
"D_cellobiose","bmse000138",18,63.2643,6.56
"D_cellobiose","bmse000138",19,62.74,5.36
"D_cellobiose","bmse000138",20,62.606,3.56
"gamma_D_galactonolactone","bmse000141",1,178.7234,2.86
"gamma_D_galactonolactone","bmse000141",2,82.7298,12.5
"gamma_D_galactonolactone","bmse000141",3,76.4007,12.48
"gamma_D_galactonolactone","bmse000141",4,75.5187,12.19
"gamma_D_galactonolactone","bmse000141",5,74.2346,3.63
"gamma_D_galactonolactone","bmse000141",6,74.0161,3.26
"gamma_D_galactonolactone","bmse000141",7,72.7812,3.45
"gamma_D_galactonolactone","bmse000141",8,72.4324,3.36
"gamma_D_galactonolactone","bmse000141",9,71.5773,12.34
"gamma_D_galactonolactone","bmse000141",10,66.0277,3.07
"gamma_D_galactonolactone","bmse000141",11,64.6899,11.19
"D_glucuronate","bmse000140",1,179.6525,1.52
"D_glucuronate","bmse000140",2,178.6724,2.78
"D_glucuronate","bmse000140",3,98.5755,11.73
"D_glucuronate","bmse000140",4,94.8123,7.69
"D_glucuronate","bmse000140",5,78.959,12.5
"D_glucuronate","bmse000140",6,78.2467,11.99
"D_glucuronate","bmse000140",7,76.6906,11.59
"D_glucuronate","bmse000140",8,75.2591,7.37
"D_glucuronate","bmse000140",9,74.8051,6.93
"D_glucuronate","bmse000140",10,74.5748,8
"D_glucuronate","bmse000140",11,74.5431,12.46
"D_glucuronate","bmse000140",12,73.9985,7.55
"L_gulonolactone","bmse000235",1,180.7006,2.42
"L_gulonolactone","bmse000235",2,84.0626,11.74
"L_gulonolactone","bmse000235",3,76.1965,2.96
"L_gulonolactone","bmse000235",4,75.331,3.02
"L_gulonolactone","bmse000235",5,74.9955,3.01
"L_gulonolactone","bmse000235",6,73.5223,12.5
"L_gulonolactone","bmse000235",7,73.1631,3.21
"L_gulonolactone","bmse000235",8,72.7983,12.19
"L_gulonolactone","bmse000235",9,72.2798,12.42
"L_gulonolactone","bmse000235",10,65.2205,2.74
"L_gulonolactone","bmse000235",11,64.1843,11.09
"glycogen","bmse000232",1,102.5103,8.96
"glycogen","bmse000232",2,79.5505,5.53
"glycogen","bmse000232",3,75.5834,9.32
"glycogen","bmse000232",4,74.2061,12.5
"glycogen","bmse000232",5,72.0454,4.53
"glycogen","bmse000232",6,63.2055,9.29
"melibiose","bmse000233",1,100.9084,5.19
"melibiose","bmse000233",2,100.8632,7.98
"melibiose","bmse000233",3,98.7735,7.66
"melibiose","bmse000233",4,94.8931,4.76
"melibiose","bmse000233",5,78.5818,7.97
"melibiose","bmse000233",6,77.0484,7.73
"melibiose","bmse000233",7,76.7428,7.76
"melibiose","bmse000233",8,75.6402,4.58
"melibiose","bmse000233",9,74.1149,4.63
"melibiose","bmse000233",10,73.6528,8.49
"melibiose","bmse000233",11,72.7893,4.29
"melibiose","bmse000233",12,72.267,4.52
"melibiose","bmse000233",13,72.1674,11.07
"melibiose","bmse000233",14,72.1167,8.55
"melibiose","bmse000233",15,71.8963,12.5
"melibiose","bmse000233",16,71.1803,5.19
"melibiose","bmse000233",17,71.1491,7.83
"melibiose","bmse000233",18,68.5995,3.44
"melibiose","bmse000233",19,68.5046,5.7
"melibiose","bmse000233",20,63.7983,7.42
"D_glucono_1_5_lactone","bmse000230",1,181.2312,2.98
"D_glucono_1_5_lactone","bmse000230",2,76.6877,12.5
"D_glucono_1_5_lactone","bmse000230",3,75.204,12.42
"D_glucono_1_5_lactone","bmse000230",4,73.8622,12.42
"D_glucono_1_5_lactone","bmse000230",5,73.6372,12.42
"D_glucono_1_5_lactone","bmse000230",6,65.3046,10.99
"N_acetyl_D_glucosamine","bmse000231",1,177.4899,2.8
"N_acetyl_D_glucosamine","bmse000231",2,177.2462,4.07
"N_acetyl_D_glucosamine","bmse000231",3,97.6343,8.26
"N_acetyl_D_glucosamine","bmse000231",4,93.5456,12.5
"N_acetyl_D_glucosamine","bmse000231",5,78.6606,9.02
"N_acetyl_D_glucosamine","bmse000231",6,76.5921,8.56
"N_acetyl_D_glucosamine","bmse000231",7,74.2719,12.4
"N_acetyl_D_glucosamine","bmse000231",8,73.3628,12.21
"N_acetyl_D_glucosamine","bmse000231",9,72.7507,12.34
"N_acetyl_D_glucosamine","bmse000231",10,72.5242,8.84
"N_acetyl_D_glucosamine","bmse000231",11,63.4249,7.22
"N_acetyl_D_glucosamine","bmse000231",12,63.2564,10.49
"N_acetyl_D_glucosamine","bmse000231",13,59.3824,8.25
"N_acetyl_D_glucosamine","bmse000231",14,56.8002,11.86
"N_acetyl_D_glucosamine","bmse000231",15,24.8865,6.38
"N_acetyl_D_glucosamine","bmse000231",16,24.609,9.19
"polygalacturonic_acid","bmse000228",1,178.1914,12.5
"polygalacturonic_acid","bmse000228",2,101.6522,9.97
"polygalacturonic_acid","bmse000228",3,80.5569,9.65
"polygalacturonic_acid","bmse000228",4,73.9772,8.45
"polygalacturonic_acid","bmse000228",5,71.4996,8.28
"polygalacturonic_acid","bmse000228",6,70.7598,8.29
"polygalacturonic_acid","bmse000228",7,26.4074,3.65
"D_saccharate","bmse000239",1,181.3679,2.13
"D_saccharate","bmse000239",2,181.237,1.95
"D_saccharate","bmse000239",3,76.4264,11.96
"D_saccharate","bmse000239",4,76.4165,12.5
"D_saccharate","bmse000239",5,76.2846,9.51
"D_saccharate","bmse000239",6,74.3621,9.95
"stachyose","bmse000240",1,106.5168,12.21
"stachyose","bmse000240",2,101.06,8.92
"stachyose","bmse000240",3,100.7169,10.76
"stachyose","bmse000240",4,94.8219,8.89
"stachyose","bmse000240",5,84.0524,9.16
"stachyose","bmse000240",6,78.9976,9.04
"stachyose","bmse000240",7,76.6795,9.2
"stachyose","bmse000240",8,75.4111,9
"stachyose","bmse000240",9,73.9757,8.23
"stachyose","bmse000240",10,73.7006,10.47
"stachyose","bmse000240",11,73.6476,9.63
"stachyose","bmse000240",12,72.1972,12.5
"stachyose","bmse000240",13,72.173,10.25
"stachyose","bmse000240",14,72.0684,10.06
"stachyose","bmse000240",15,72.0362,10.92
"stachyose","bmse000240",16,71.9303,12.49
"stachyose","bmse000240",17,71.5019,8.73
"stachyose","bmse000240",18,71.1393,9.07
"stachyose","bmse000240",19,70.9835,10.63
"stachyose","bmse000240",20,69.1734,6.48
"stachyose","bmse000240",21,68.5201,5.87
"stachyose","bmse000240",22,65.1886,8.65
"stachyose","bmse000240",23,64.0756,7.23
"stachyose","bmse000240",24,63.8499,10.36
"L_tartaric_acid","bmse000167",1,181.2992,12.5
"D_xylonate_cadmium","bmse000166",1,181.2863,3.14
"D_xylonate_cadmium","bmse000166",2,75.334,10.18
"D_xylonate_cadmium","bmse000166",3,75.0844,12.5
"D_xylonate_cadmium","bmse000166",4,65.059,9.59
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",1,177.4252,6.68
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",2,95.4941,6.42
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",3,95.4396,6.74
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",4,74.801,12.35
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",5,74.139,11.43
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",6,72.7232,12.5
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",7,63.4049,10.26
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",8,60.1376,1.31
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",9,56.8998,5.8
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",10,56.8264,6.12
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",11,24.8578,11.78
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",12,19.5062,1.22
"L_ornithine","bmse000162",1,177.052,2.52
"L_ornithine","bmse000162",2,56.8032,12.42
"L_ornithine","bmse000162",3,41.5581,10.67
"L_ornithine","bmse000162",4,30.183,12.5
"L_ornithine","bmse000162",5,25.4674,10.78
"D_alanine","bmse000236",1,178.5839,1.59
"D_alanine","bmse000236",2,53.2011,9.79
"D_alanine","bmse000236",3,18.8519,12.5
"4_nitrophenol","bmse000223",1,130.0111,12.5
"4_nitrophenol","bmse000223",2,129.9947,12.29
"4_nitrophenol","bmse000223",3,120.3011,8.51
"4_nitrophenol","bmse000223",4,120.2591,10.79
"D_L_glyceraldehyde","bmse000225",1,92.4597,11.03
"D_L_glyceraldehyde","bmse000225",2,76.7639,11.48
"D_L_glyceraldehyde","bmse000225",3,64.6759,12.5
"4_hydroxycinnamic_acid","bmse000150",1,178.908,1.38
"4_hydroxycinnamic_acid","bmse000150",2,159.818,1.85
"4_hydroxycinnamic_acid","bmse000150",3,143.5246,4.55
"4_hydroxycinnamic_acid","bmse000150",4,132.2994,11.74
"4_hydroxycinnamic_acid","bmse000150",5,130.1932,2.25
"4_hydroxycinnamic_acid","bmse000150",6,124.1229,4.91
"4_hydroxycinnamic_acid","bmse000150",7,118.5321,12.5
"alpha_D_galactose_1_phosphate","bmse000151",1,96.62,5.96
"alpha_D_galactose_1_phosphate","bmse000151",2,96.566,5.93
"alpha_D_galactose_1_phosphate","bmse000151",3,73.8281,11.4
"alpha_D_galactose_1_phosphate","bmse000151",4,72.304,10.42
"alpha_D_galactose_1_phosphate","bmse000151",5,72.1558,12.5
"alpha_D_galactose_1_phosphate","bmse000151",6,71.7402,5.87
"alpha_D_galactose_1_phosphate","bmse000151",7,71.6737,5.84
"alpha_D_galactose_1_phosphate","bmse000151",8,64.0705,10.09
"dAMP","bmse000250",1,155.0627,3.71
"dAMP","bmse000250",2,142.9366,3.42
"dAMP","bmse000250",3,90.1821,11.54
"dAMP","bmse000250",4,87.3797,7.1
"dAMP","bmse000250",5,74.0139,10.26
"dAMP","bmse000250",6,64.4148,12.5
"dAMP","bmse000250",7,41.7694,7.82
"Oxalosuccinate","bmse000251",1,184.1371,2.15
"Oxalosuccinate","bmse000251",2,172.7664,1.95
"Oxalosuccinate","bmse000251",3,52.8383,1.48
"Oxalosuccinate","bmse000251",4,38.5758,5.93
"Oxalosuccinate","bmse000251",5,38.454,1.48
"Oxalosuccinate","bmse000251",6,38.2644,1.54
"Oxalosuccinate","bmse000251",7,38.0683,1.39
"Oxalosuccinate","bmse000251",8,36.9355,3.83
"Oxalosuccinate","bmse000251",9,35.3007,1.19
"Oxalosuccinate","bmse000251",10,34.9692,1.16
"Oxalosuccinate","bmse000251",11,33.3147,5.48
"Oxalosuccinate","bmse000251",12,33.2611,6.95
"Oxalosuccinate","bmse000251",13,33.2048,12.5
"Oxalosuccinate","bmse000251",14,25.9719,1.99
"Salicylate","bmse000252",1,178.336,1.8
"Salicylate","bmse000252",2,162.3095,1.9
"Salicylate","bmse000252",3,136.7054,12.5
"Salicylate","bmse000252",4,133.2002,11.8
"Salicylate","bmse000252",5,122.0978,11.69
"Salicylate","bmse000252",6,120.713,2.32
"Salicylate","bmse000252",7,119.007,12.31
"dADP","bmse000253",1,158.1421,4.9
"dADP","bmse000253",2,155.3005,9.18
"dADP","bmse000253",3,151.2181,2.23
"dADP","bmse000253",4,142.6258,3.6
"dADP","bmse000253",5,121.1832,1.88
"dADP","bmse000253",6,88.4189,5.03
"dADP","bmse000253",7,88.3329,5.02
"dADP","bmse000253",8,86.1412,10.03
"dADP","bmse000253",9,73.3197,12.5
"dADP","bmse000253",10,67.3652,4.1
"dADP","bmse000253",11,67.3129,3.98
"dADP","bmse000253",12,41.5514,9.81
"D_Fructose_1_phosphate","bmse000254",1,100.8301,3.74
"D_Fructose_1_phosphate","bmse000254",2,100.7578,3.97
"D_Fructose_1_phosphate","bmse000254",3,83.1443,1.21
"D_Fructose_1_phosphate","bmse000254",4,78.79,1.8
"D_Fructose_1_phosphate","bmse000254",5,76.8304,1.21
"D_Fructose_1_phosphate","bmse000254",6,72.0493,12.5
"D_Fructose_1_phosphate","bmse000254",7,71.8351,11.69
"D_Fructose_1_phosphate","bmse000254",8,70.5098,12.35
"D_Fructose_1_phosphate","bmse000254",9,68.9967,5.19
"D_Fructose_1_phosphate","bmse000254",10,68.9492,5.25
"D_Fructose_1_phosphate","bmse000254",11,66.0887,9.73
"D_Fructose_1_phosphate","bmse000254",12,64.969,2.12
"D_Fructose_1_phosphate","bmse000254",13,64.1264,1.29
"ITP","bmse000255",1,161.4399,4.25
"ITP","bmse000255",2,151.5943,2.62
"ITP","bmse000255",3,149.0201,9.65
"ITP","bmse000255",4,142.5226,5.74
"ITP","bmse000255",5,126.3562,2.24
"ITP","bmse000255",6,90.276,1.56
"ITP","bmse000255",7,89.9312,10.81
"ITP","bmse000255",8,86.8306,5.65
"ITP","bmse000255",9,86.7415,5.81
"ITP","bmse000255",10,77.2254,2.18
"ITP","bmse000255",11,77.1273,12.5
"ITP","bmse000255",12,72.8596,11.68
"ITP","bmse000255",13,72.5243,2.14
"ITP","bmse000255",14,67.7479,4.35
"ITP","bmse000255",15,67.695,4.23
"Formaldehyde","bmse000256",1,84.4358,12.5
"FMN","bmse000257",1,163.2526,6.78
"FMN","bmse000257",2,160.3175,7.33
"FMN","bmse000257",3,153.429,6.6
"FMN","bmse000257",4,152.3129,4.11
"FMN","bmse000257",5,142.1584,7.18
"FMN","bmse000257",6,136.6282,6.86
"FMN","bmse000257",7,136.1877,6.82
"FMN","bmse000257",8,134.1083,4
"FMN","bmse000257",9,132.8224,4.98
"FMN","bmse000257",10,119.7064,4.78
"FMN","bmse000257",11,75.2209,6.14
"FMN","bmse000257",12,74.4868,3.9
"FMN","bmse000257",13,74.4237,3.92
"FMN","bmse000257",14,72.0087,6.36
"FMN","bmse000257",15,67.8012,3.52
"FMN","bmse000257",16,50.1474,2.93
"FMN","bmse000257",17,23.466,11.62
"FMN","bmse000257",18,21.3437,12.5
"Glycolaldehyde","bmse000258",1,92.374,9.81
"Glycolaldehyde","bmse000258",2,67.1623,12.5
"4_Hydroxybenzaldehyde","bmse000259",1,197.0798,3.76
"4_Hydroxybenzaldehyde","bmse000259",2,136.1538,9.71
"4_Hydroxybenzaldehyde","bmse000259",3,129.545,1.03
"4_Hydroxybenzaldehyde","bmse000259",4,119.8609,12.5
"Nicotinamide_D_ribonucleotide","bmse000260",1,175.8236,3.35
"Nicotinamide_D_ribonucleotide","bmse000260",2,141.0654,10.52
"Nicotinamide_D_ribonucleotide","bmse000260",3,127.6138,9.12
"Nicotinamide_D_ribonucleotide","bmse000260",4,108.182,10.66
"Nicotinamide_D_ribonucleotide","bmse000260",5,103.4044,6.52
"Nicotinamide_D_ribonucleotide","bmse000260",6,103.1839,1.61
"Nicotinamide_D_ribonucleotide","bmse000260",7,97.6396,11.48
"Nicotinamide_D_ribonucleotide","bmse000260",8,85.9422,6.34
"Nicotinamide_D_ribonucleotide","bmse000260",9,85.8555,6.04
"Nicotinamide_D_ribonucleotide","bmse000260",10,80.4925,1.81
"Nicotinamide_D_ribonucleotide","bmse000260",11,74.2063,1.79
"Nicotinamide_D_ribonucleotide","bmse000260",12,73.4952,12.5
"Nicotinamide_D_ribonucleotide","bmse000260",13,73.3372,12.21
"Nicotinamide_D_ribonucleotide","bmse000260",14,66.7617,5.06
"Nicotinamide_D_ribonucleotide","bmse000260",15,66.7167,4.78
"Nicotinamide_D_ribonucleotide","bmse000260",16,24.6964,9.6
"Acetyl_phosphate","bmse000261",1,175.0096,3.44
"Acetyl_phosphate","bmse000261",2,25.9801,10.24
"Acetyl_phosphate","bmse000261",3,24.7883,12.5
"Acetyl_phosphate","bmse000261",4,24.7425,11.1
"3_4_Hydroxyphenyl_pyruvate","bmse000262",1,157.3242,1.3
"3_4_Hydroxyphenyl_pyruvate","bmse000262",2,133.865,7.91
"3_4_Hydroxyphenyl_pyruvate","bmse000262",3,118.3826,12.5
"3_4_Hydroxyphenyl_pyruvate","bmse000262",4,117.7478,1.45
"NADP","bmse000263",1,167.8496,4.47
"NADP","bmse000263",2,158.1147,5.39
"NADP","bmse000263",3,155.428,9.01
"NADP","bmse000263",4,151.6757,5.76
"NADP","bmse000263",5,148.3745,7.75
"NADP","bmse000263",6,145.0167,6.29
"NADP","bmse000263",7,142.8886,8.29
"NADP","bmse000263",8,142.5477,5.92
"NADP","bmse000263",9,136.304,8.28
"NADP","bmse000263",10,131.3453,8.51
"NADP","bmse000263",11,121.1612,3.82
"NADP","bmse000263",12,102.729,11.11
"NADP","bmse000263",13,89.8221,5.86
"NADP","bmse000263",14,89.7336,5.64
"NADP","bmse000263",15,89.2538,5.26
"NADP","bmse000263",16,89.1719,5.28
"NADP","bmse000263",17,85.7472,5.48
"NADP","bmse000263",18,85.6577,5.52
"NADP","bmse000263",19,80.3221,12.5
"NADP","bmse000263",20,78.7636,5.55
"NADP","bmse000263",21,78.722,5.71
"NADP","bmse000263",22,73.3731,12.23
"NADP","bmse000263",23,72.7335,7.06
"NADP","bmse000263",24,68.2193,4.11
"NADP","bmse000263",25,67.6754,4.43
"NADP","bmse000263",26,57.0544,1.98
"4_Nitrophenyl_phosphate","bmse000264",1,163.0405,1.08
"4_Nitrophenyl_phosphate","bmse000264",2,144.5179,1.04
"4_Nitrophenyl_phosphate","bmse000264",3,128.4131,12.5
"4_Nitrophenyl_phosphate","bmse000264",4,122.6671,7.06
"4_Nitrophenyl_phosphate","bmse000264",5,122.6148,7.04
"4_Nitrocatechol","bmse000265",1,164.1278,1.69
"4_Nitrocatechol","bmse000265",2,148.5107,2.32
"4_Nitrocatechol","bmse000265",3,138.4594,1.3
"4_Nitrocatechol","bmse000265",4,122.9045,11.12
"4_Nitrocatechol","bmse000265",5,118.6529,12.08
"4_Nitrocatechol","bmse000265",6,112.45,12.5
"UDP","bmse000266",1,169.0888,5
"UDP","bmse000266",2,154.545,3.74
"UDP","bmse000266",3,144.5243,8.52
"UDP","bmse000266",4,105.234,10.35
"UDP","bmse000266",5,91.4445,11.2
"UDP","bmse000266",6,85.9024,5.62
"UDP","bmse000266",7,85.8136,5.66
"UDP","bmse000266",8,76.5959,12.5
"UDP","bmse000266",9,71.8259,11.92
"UDP","bmse000266",10,66.8315,4.4
"UDP","bmse000266",11,66.7792,4.54
"Formamide","bmse000267",1,169.4492,12.5
"R_Lactate","bmse000269",1,185.265,2.92
"R_Lactate","bmse000269",2,71.1978,10.49
"R_Lactate","bmse000269",3,22.7641,12.5
"GDP","bmse000270",1,161.6068,4.89
"GDP","bmse000270",2,156.6326,5.27
"GDP","bmse000270",3,154.1538,4.67
"GDP","bmse000270",4,140.2801,1.14
"GDP","bmse000270",5,140.1096,6.84
"GDP","bmse000270",6,118.7579,3.69
"GDP","bmse000270",7,89.8065,11.14
"GDP","bmse000270",8,86.2198,5.66
"GDP","bmse000270",9,86.132,5.77
"GDP","bmse000270",10,76.7534,12.5
"GDP","bmse000270",11,72.5131,12.28
"GDP","bmse000270",12,67.1729,4.45
"GDP","bmse000270",13,67.1215,4.26
"CoA","bmse000271",1,177.6817,2.7
"CoA","bmse000271",2,177.4294,8.2
"CoA","bmse000271",3,176.8233,2.08
"CoA","bmse000271",4,176.7106,6.6
"CoA","bmse000271",5,158.389,5.21
"CoA","bmse000271",6,155.6654,8.04
"CoA","bmse000271",7,155.5753,5.97
"CoA","bmse000271",8,152.1398,5.55
"CoA","bmse000271",9,152.0219,2.76
"CoA","bmse000271",10,142.9347,4.88
"CoA","bmse000271",11,142.6212,6.68
"CoA","bmse000271",12,121.3186,3.76
"CoA","bmse000271",13,89.3885,6.08
"CoA","bmse000271",14,89.1901,9.09
"CoA","bmse000271",15,87.3585,1.54
"CoA","bmse000271",16,87.3087,1.85
"CoA","bmse000271",17,87.2237,1.74
"CoA","bmse000271",18,86.8498,2.3
"CoA","bmse000271",19,86.7595,2.57
"CoA","bmse000271",20,85.3884,1.1
"CoA","bmse000271",21,79.6453,1.28
"CoA","bmse000271",22,79.1396,1.19
"CoA","bmse000271",23,78.2226,1.22
"CoA","bmse000271",24,77.5422,4.25
"CoA","bmse000271",25,77.2177,3.82
"CoA","bmse000271",26,77.1851,3.69
"CoA","bmse000271",27,76.9949,5.4
"CoA","bmse000271",28,76.9604,4.74
"CoA","bmse000271",29,76.7805,9.52
"CoA","bmse000271",30,76.4673,4.19
"CoA","bmse000271",31,76.4236,8.22
"CoA","bmse000271",32,76.3796,5.46
"CoA","bmse000271",33,74.5542,4.24
"CoA","bmse000271",34,74.4922,3.65
"CoA","bmse000271",35,73.328,2.2
"CoA","bmse000271",36,73.2765,1.86
"CoA","bmse000271",37,68.4744,3.83
"CoA","bmse000271",38,68.4222,3.88
"CoA","bmse000271",39,66.6691,2.47
"CoA","bmse000271",40,66.6238,2.86
"CoA","bmse000271",41,45.0428,4.93
"CoA","bmse000271",42,44.9976,11.76
"CoA","bmse000271",43,44.9048,1.18
"CoA","bmse000271",44,41.1259,2.81
"CoA","bmse000271",45,41.0359,6.14
"CoA","bmse000271",46,40.9558,6.01
"CoA","bmse000271",47,40.7593,1.76
"CoA","bmse000271",48,39.1263,1.74
"CoA","bmse000271",49,38.2973,1.72
"CoA","bmse000271",50,38.1621,9.87
"CoA","bmse000271",51,38.0817,9.25
"CoA","bmse000271",52,25.7997,12.5
"CoA","bmse000271",53,24.0869,1.45
"CoA","bmse000271",54,23.9984,3.96
"CoA","bmse000271",55,23.5128,8.93
"CoA","bmse000271",56,22.6789,1.36
"CoA","bmse000271",57,20.9419,3.81
"CoA","bmse000271",58,20.7819,9.63
"CoA","bmse000271",59,20.1012,1.78
"CDP","bmse000272",1,168.8761,4.9
"CDP","bmse000272",2,160.4002,4.39
"CDP","bmse000272",3,144.5698,1.09
"CDP","bmse000272",4,144.266,8.55
"CDP","bmse000272",5,99.3648,1.46
"CDP","bmse000272",6,99.2242,9.38
"CDP","bmse000272",7,92.2295,11.24
"CDP","bmse000272",8,91.8456,1.72
"CDP","bmse000272",9,85.3396,5.74
"CDP","bmse000272",10,85.2502,5.69
"CDP","bmse000272",11,77.0076,12.5
"CDP","bmse000272",12,72.3706,1.47
"CDP","bmse000272",13,71.4858,12.07
"CDP","bmse000272",14,66.6366,4.51
"CDP","bmse000272",15,66.5841,4.41
"D_Aspartate","bmse000273",1,180.3052,2.2
"D_Aspartate","bmse000273",2,177.0122,1.98
"D_Aspartate","bmse000273",3,54.9072,9.91
"D_Aspartate","bmse000273",4,39.2644,12.5
"Thiamin","bmse000274",1,171.726,5.58
"Thiamin","bmse000274",2,164.5163,3.11
"Thiamin","bmse000274",3,159.8969,10.99
"Thiamin","bmse000274",4,145.552,3.59
"Thiamin","bmse000274",5,138.7379,4.97
"Thiamin","bmse000274",6,107.1899,6.29
"Thiamin","bmse000274",7,63.1255,12.5
"Thiamin","bmse000274",8,53.7574,10.69
"Thiamin","bmse000274",9,31.9248,12.41
"Thiamin","bmse000274",10,26.7632,11.25
"Thiamin","bmse000274",11,13.8517,12.02
"D_Fructose_2_6_bisphosphate","bmse000275",1,106.8714,4.79
"D_Fructose_2_6_bisphosphate","bmse000275",2,106.8017,4.74
"D_Fructose_2_6_bisphosphate","bmse000275",3,82.9825,6.41
"D_Fructose_2_6_bisphosphate","bmse000275",4,82.912,6.28
"D_Fructose_2_6_bisphosphate","bmse000275",5,80.0513,6.58
"D_Fructose_2_6_bisphosphate","bmse000275",6,80.0052,6.39
"D_Fructose_2_6_bisphosphate","bmse000275",7,78.0543,12.5
"D_Fructose_2_6_bisphosphate","bmse000275",8,68.3553,5.53
"D_Fructose_2_6_bisphosphate","bmse000275",9,68.3079,5.71
"D_Fructose_2_6_bisphosphate","bmse000275",10,65.2002,7.1
"D_Fructose_2_6_bisphosphate","bmse000275",11,60.1397,1.11
"D_Fructose_2_6_bisphosphate","bmse000275",12,19.51,1.19
"Ethanolamine","bmse000276",1,60.3171,12.5
"Ethanolamine","bmse000276",2,43.9507,8.05
"CTP","bmse000277",1,168.8983,5.15
"CTP","bmse000277",2,160.5208,4.42
"CTP","bmse000277",3,144.2311,8.6
"CTP","bmse000277",4,99.3524,9.52
"CTP","bmse000277",5,91.8085,11.04
"CTP","bmse000277",6,85.501,5.68
"CTP","bmse000277",7,85.4107,5.57
"CTP","bmse000277",8,77.0203,1.35
"CTP","bmse000277",9,76.8989,12.5
"CTP","bmse000277",10,71.7933,11.89
"CTP","bmse000277",11,71.4631,1.06
"CTP","bmse000277",12,67.272,4.2
"CTP","bmse000277",13,67.2177,4.39
"D_Ribulose_5_phosphate","bmse000278",1,103.8241,7.82
"D_Ribulose_5_phosphate","bmse000278",2,98.9771,2.24
"D_Ribulose_5_phosphate","bmse000278",3,85.3023,1.6
"D_Ribulose_5_phosphate","bmse000278",4,84.6704,3.81
"D_Ribulose_5_phosphate","bmse000278",5,84.5875,4.13
"D_Ribulose_5_phosphate","bmse000278",6,78.03,9.99
"D_Ribulose_5_phosphate","bmse000278",7,73.4112,12.5
"D_Ribulose_5_phosphate","bmse000278",8,72.931,3.83
"D_Ribulose_5_phosphate","bmse000278",9,67.3547,5.39
"D_Ribulose_5_phosphate","bmse000278",10,67.3093,5.5
"D_Ribulose_5_phosphate","bmse000278",11,66.4813,2.3
"Urocanate","bmse000279",1,178.6198,2.5
"Urocanate","bmse000279",2,140.3626,11.29
"Urocanate","bmse000279",3,137.0776,2.14
"Urocanate","bmse000279",4,133.668,10.36
"Urocanate","bmse000279",5,124.4849,12.5
"Urocanate","bmse000279",6,123.9802,8.38
"UMP","bmse000280",1,169.0839,4.57
"UMP","bmse000280",2,154.6578,3.41
"UMP","bmse000280",3,144.8275,8.54
"UMP","bmse000280",4,105.3924,10.43
"UMP","bmse000280",5,91.006,11.31
"UMP","bmse000280",6,86.9204,5.97
"UMP","bmse000280",7,86.8326,6.05
"UMP","bmse000280",8,76.6643,12.5
"UMP","bmse000280",9,72.7729,12.16
"UMP","bmse000280",10,65.9126,4.79
"UMP","bmse000280",11,65.8681,4.9
"Nicotinamide","bmse000281",1,154.5266,12.5
"Nicotinamide","bmse000281",2,150.344,11.49
"Nicotinamide","bmse000281",3,139.1539,11.48
"Nicotinamide","bmse000281",4,131.9398,1.76
"Nicotinamide","bmse000281",5,126.9235,10.76
"DL_Alanine","bmse000282",1,178.5738,1.77
"DL_Alanine","bmse000282",2,53.2017,9.6
"DL_Alanine","bmse000282",3,18.85,12.5
"Orotate","bmse000283",1,104.064,12.5
"Benzonitrile","bmse000284",1,136.2019,8.6
"Benzonitrile","bmse000284",2,135.1116,12.5
"Benzonitrile","bmse000284",3,131.8912,12.48
"Choline","bmse000285",1,70.1479,3.39
"Choline","bmse000285",2,70.1177,3.59
"Choline","bmse000285",3,70.0875,3.34
"Choline","bmse000285",4,58.3089,8.06
"Choline","bmse000285",5,56.621,11.8
"Choline","bmse000285",6,56.5813,12.5
"Choline","bmse000285",7,56.542,12.01
"Acetophenone","bmse000286",1,136.8469,7.17
"Acetophenone","bmse000286",2,131.5104,12.5
"Acetophenone","bmse000286",3,131.2516,11.84
"Acetophenone","bmse000286",4,28.9711,3.47
"Pantothenate","bmse000287",1,183.0208,3.24
"Pantothenate","bmse000287",2,177.6531,4.02
"Pantothenate","bmse000287",3,78.4586,12.5
"Pantothenate","bmse000287",4,71.0985,10.81
"Pantothenate","bmse000287",5,41.2778,8.26
"Pantothenate","bmse000287",6,39.3779,10.45
"Pantothenate","bmse000287",7,38.8533,9.94
"Pantothenate","bmse000287",8,23.2349,9.96
"Pantothenate","bmse000287",9,21.8424,10.1
"Pyridoxine","bmse000288",1,163.4259,2.28
"Pyridoxine","bmse000288",2,146.9983,3.52
"Pyridoxine","bmse000288",3,141.4468,3.78
"Pyridoxine","bmse000288",4,138.1842,4.52
"Pyridoxine","bmse000288",5,127.4073,3.84
"Pyridoxine","bmse000288",6,61.4656,12.5
"Pyridoxine","bmse000288",7,58.6687,10.33
"Pyridoxine","bmse000288",8,18.2013,8.23
"S_Adenosyl_L_homocysteine","bmse000289",1,176.8876,4.61
"S_Adenosyl_L_homocysteine","bmse000289",2,158.3878,3.44
"S_Adenosyl_L_homocysteine","bmse000289",3,155.6615,9.39
"S_Adenosyl_L_homocysteine","bmse000289",4,151.6956,3.2
"S_Adenosyl_L_homocysteine","bmse000289",5,142.814,7.91
"S_Adenosyl_L_homocysteine","bmse000289",6,121.5644,2.04
"S_Adenosyl_L_homocysteine","bmse000289",7,90.125,10.63
"S_Adenosyl_L_homocysteine","bmse000289",8,90.0104,2.04
"S_Adenosyl_L_homocysteine","bmse000289",9,86.1029,11.9
"S_Adenosyl_L_homocysteine","bmse000289",10,75.9715,11.38
"S_Adenosyl_L_homocysteine","bmse000289",11,75.0004,12.5
"S_Adenosyl_L_homocysteine","bmse000289",12,56.4364,10.43
"S_Adenosyl_L_homocysteine","bmse000289",13,36.2065,8.4
"S_Adenosyl_L_homocysteine","bmse000289",14,33.1203,8.91
"S_Adenosyl_L_homocysteine","bmse000289",15,30.4627,9.14
"Phenol","bmse000290",1,132.703,11.87
"Phenol","bmse000290",2,123.3534,6.56
"Phenol","bmse000290",3,118.0886,12.5
"Selenomethionine","bmse000291",1,176.8764,2.7
"Selenomethionine","bmse000291",2,57.3265,11.71
"Selenomethionine","bmse000291",3,33.5106,11.73
"Selenomethionine","bmse000291",4,21.8408,12.5
"Selenomethionine","bmse000291",5,5.875,6.96
"UDPglucuronate","bmse000292",1,179.1513,4.63
"UDPglucuronate","bmse000292",2,169.0242,5.14
"UDPglucuronate","bmse000292",3,154.6097,3.93
"UDPglucuronate","bmse000292",4,144.2873,8.42
"UDPglucuronate","bmse000292",5,105.4108,10.1
"UDPglucuronate","bmse000292",6,98.1166,5.83
"UDPglucuronate","bmse000292",7,98.0506,5.78
"UDPglucuronate","bmse000292",8,91.0126,10.69
"UDPglucuronate","bmse000292",9,86.0368,5.52
"UDPglucuronate","bmse000292",10,85.9455,5.68
"UDPglucuronate","bmse000292",11,76.498,12.5
"UDPglucuronate","bmse000292",12,75.7603,10.99
"UDPglucuronate","bmse000292",13,75.2986,10.18
"UDPglucuronate","bmse000292",14,74.5675,11.19
"UDPglucuronate","bmse000292",15,74.1227,5.66
"UDPglucuronate","bmse000292",16,74.0395,5.54
"UDPglucuronate","bmse000292",17,72.367,11.96
"UDPglucuronate","bmse000292",18,67.7081,4.35
"UDPglucuronate","bmse000292",19,67.6532,4.54
"UDPglucuronate","bmse000292",20,60.142,1.01
"UDPglucuronate","bmse000292",21,19.5053,1.3
"Hydroquinone","bmse000293",1,151.6552,1.09
"Hydroquinone","bmse000293",2,119.0705,12.5
"Methanol","bmse000294",1,51.571,12.5
"Methanol","bmse000294",2,8.3835,1.29
"UTP","bmse000295",1,169.0527,4.84
"UTP","bmse000295",2,154.6305,3.56
"UTP","bmse000295",3,144.4685,8.62
"UTP","bmse000295",4,105.3558,9.9
"UTP","bmse000295",5,90.9803,10.91
"UTP","bmse000295",6,86.0794,5.45
"UTP","bmse000295",7,85.9897,5.66
"UTP","bmse000295",8,76.4645,12.5
"UTP","bmse000295",9,72.1667,11.59
"UTP","bmse000295",10,67.5196,4.26
"UTP","bmse000295",11,67.4644,4.32
"UTP","bmse000295",12,60.1427,1.1
"dTMP","bmse000296",1,169.2356,1.23
"dTMP","bmse000296",2,160.5265,1.29
"dTMP","bmse000296",3,154.4333,1.31
"dTMP","bmse000296",4,140.1216,3.35
"dTMP","bmse000296",5,114.2982,2.37
"dTMP","bmse000296",6,88.3382,2.04
"dTMP","bmse000296",7,88.2519,1.87
"dTMP","bmse000296",8,87.8416,3.66
"dTMP","bmse000296",9,73.7576,4.03
"dTMP","bmse000296",10,69.7071,3.43
"dTMP","bmse000296",11,69.6331,3.39
"dTMP","bmse000296",12,68.674,6.88
"dTMP","bmse000296",13,67.0077,1.54
"dTMP","bmse000296",14,66.9519,1.6
"dTMP","bmse000296",15,57.1741,5.62
"dTMP","bmse000296",16,50.7174,6.42
"dTMP","bmse000296",17,47.4494,6.5
"dTMP","bmse000296",18,41.3959,3.4
"dTMP","bmse000296",19,35.6124,12.5
"dTMP","bmse000296",20,27.378,11.97
"dTMP","bmse000296",21,27.3297,7.39
"dTMP","bmse000296",22,14.3887,4.03
"Ethanol","bmse000297",1,60.1347,10.57
"Ethanol","bmse000297",2,19.4922,12.5
"D_Glyceraldehyde","bmse000298",1,92.4619,11.47
"D_Glyceraldehyde","bmse000298",2,76.7643,11.97
"D_Glyceraldehyde","bmse000298",3,67.5383,2.02
"D_Glyceraldehyde","bmse000298",4,64.6757,12.5
"Folate","bmse000299",1,185.1947,10.02
"Folate","bmse000299",2,182.1813,8.33
"Folate","bmse000299",3,171.6618,6.23
"Folate","bmse000299",4,167.4706,1.1
"Folate","bmse000299",5,156.8561,3.58
"Folate","bmse000299",6,154.9662,1.2
"Folate","bmse000299",7,152.4534,5.63
"Folate","bmse000299",8,150.9644,2.57
"Folate","bmse000299",9,150.4027,4.37
"Folate","bmse000299",10,131.6987,1.03
"Folate","bmse000299",11,131.3015,7.38
"Folate","bmse000299",12,129.0129,4.84
"Folate","bmse000299",13,123.0856,5.17
"Folate","bmse000299",14,113.9108,6.41
"Folate","bmse000299",15,58.6333,8.76
"Folate","bmse000299",16,47.4239,2.98
"Folate","bmse000299",17,37.0651,12.5
"Folate","bmse000299",18,31.1742,7.87
"Benzoate","bmse000300",1,138.9121,1.04
"Benzoate","bmse000300",2,133.9731,7.03
"Benzoate","bmse000300",3,131.4957,12.46
"Benzoate","bmse000300",4,131.0181,12.5
"1_3_diaminopropane","bmse000001",1,39.3182,12.5
"1_3_diaminopropane","bmse000001",2,27.6038,6.62
"2_3_diphospho_D_glyceric_acid","bmse000002",1,180.6244,6.14
"2_3_diphospho_D_glyceric_acid","bmse000002",2,77.8926,9.81
"2_3_diphospho_D_glyceric_acid","bmse000002",3,77.8397,8.95
"2_3_diphospho_D_glyceric_acid","bmse000002",4,77.8017,8.58
"2_3_diphospho_D_glyceric_acid","bmse000002",5,77.7593,8.04
"2_3_diphospho_D_glyceric_acid","bmse000002",6,69.2089,12.5
"2_deoxyguanosine","bmse000003",1,140.4376,7.32
"2_deoxyguanosine","bmse000003",2,89.8652,7.61
"2_deoxyguanosine","bmse000003",3,86.6745,9.57
"2_deoxyguanosine","bmse000003",4,73.9059,12.5
"2_deoxyguanosine","bmse000003",5,64.3305,8.45
"2_deoxyguanosine","bmse000003",6,41.3976,8.86
"adenine","bmse000060",1,153.1875,0.8
"adenine","bmse000060",2,151.829,1.02
"adenine","bmse000060",3,147.5748,11.47
"adenine","bmse000060",4,146.3944,12.5
"adenine","bmse000060",5,118.324,0.66
"adenosine","bmse000061",1,155.2065,8.59
"adenosine","bmse000061",2,151.091,3.13
"adenosine","bmse000061",3,143.2708,6.58
"adenosine","bmse000061",4,91.0332,10.74
"adenosine","bmse000061",5,88.5401,11.36
"adenosine","bmse000061",6,76.3929,12.5
"adenosine","bmse000061",7,73.3525,11.01
"adenosine","bmse000061",8,64.2162,10.03
"adenosine","bmse000061",9,133.0864,1.07
"adonitol","bmse000062",1,74.8925,6.76
"adonitol","bmse000062",2,74.8008,11.44
"adonitol","bmse000062",3,65.0705,12.5
"ADP","bmse000004",1,158.1533,6.68
"ADP","bmse000004",2,155.4207,12.01
"ADP","bmse000004",3,151.6456,1.97
"ADP","bmse000004",4,151.5495,1.81
"ADP","bmse000004",5,142.8127,2.95
"ADP","bmse000004",6,142.5832,3.64
"ADP","bmse000004",7,121.1747,1.72
"ADP","bmse000004",8,89.778,10.17
"ADP","bmse000004",9,89.5551,6.01
"ADP","bmse000004",10,87.4621,3.15
"ADP","bmse000004",11,87.3746,3.43
"ADP","bmse000004",12,86.4858,4.81
"ADP","bmse000004",13,86.3979,5.28
"ADP","bmse000004",14,77.2288,6.53
"ADP","bmse000004",15,77.0622,12.5
"ADP","bmse000004",16,73.4056,6.43
"ADP","bmse000004",17,72.6057,12.04
"ADP","bmse000004",18,67.1794,3.82
"ADP","bmse000004",19,67.1297,3.91
"ADP","bmse000004",20,66.2518,2.61
"ADP","bmse000004",21,66.2091,2.71
"agmatine","bmse000063",1,159.5178,1.15
"agmatine","bmse000063",2,43.1542,9.26
"agmatine","bmse000063",3,41.7324,8.53
"agmatine","bmse000063",4,27.7024,11.07
"agmatine","bmse000063",5,26.715,12.5
"D_allose","bmse000008",1,96.1036,10.7
"D_allose","bmse000008",2,95.5286,1.55
"D_allose","bmse000008",3,76.2932,11.82
"D_allose","bmse000008",4,74.3841,1.58
"D_allose","bmse000008",5,73.9304,11.03
"D_allose","bmse000008",6,73.8513,12.02
"D_allose","bmse000008",7,69.7109,1.21
"D_allose","bmse000008",8,69.5516,1.22
"D_allose","bmse000008",9,69.4757,12.5
"D_allose","bmse000008",10,68.7507,2.03
"D_allose","bmse000008",11,63.8517,10.79
"D_allose","bmse000008",12,63.3663,1.24
"D_fructose","bmse000010",1,100.7878,2.8
"D_fructose","bmse000010",2,83.3844,4
"D_fructose","bmse000010",3,78.7409,1.35
"D_fructose","bmse000010",4,78.0833,3.23
"D_fructose","bmse000010",5,77.1431,3.97
"D_fructose","bmse000010",6,72.3808,12.5
"D_fructose","bmse000010",7,71.9017,10.92
"D_fructose","bmse000010",8,70.2559,10.72
"D_fructose","bmse000010",9,66.587,11.06
"D_fructose","bmse000010",10,66.0735,12.1
"D_fructose","bmse000010",11,65.3682,3.85
"D_fructose","bmse000010",12,65.074,4.07
"D_galactose","bmse000013",1,99.1714,10.5
"D_galactose","bmse000013",2,94.9986,5.59
"D_galactose","bmse000013",3,77.8681,12.5
"D_galactose","bmse000013",4,75.5121,11.36
"D_galactose","bmse000013",5,74.5893,11.5
"D_galactose","bmse000013",6,73.1956,6.08
"D_galactose","bmse000013",7,72.0185,5.93
"D_galactose","bmse000013",8,71.879,5.94
"D_galactose","bmse000013",9,71.4595,12.5
"D_galactose","bmse000013",10,71.0589,5.22
"D_galactose","bmse000013",11,63.8951,5.64
"D_galactose","bmse000013",12,63.6909,11.96
"D_glucose","bmse000015",1,98.6177,12.18
"D_glucose","bmse000015",2,94.8017,7.46
"D_glucose","bmse000015",3,78.6602,12.5
"D_glucose","bmse000015",4,78.46,12.38
"D_glucose","bmse000015",5,76.8429,11.94
"D_glucose","bmse000015",6,75.4621,6.95
"D_glucose","bmse000015",7,74.1868,7.96
"D_glucose","bmse000015",8,74.1521,7.85
"D_glucose","bmse000015",9,72.3476,7.59
"D_glucose","bmse000015",10,72.3041,12.25
"D_glucose","bmse000015",11,63.4496,11.55
"D_glucose","bmse000015",12,63.2877,6.43
"D_mannose","bmse000018",1,96.747,10.66
"D_mannose","bmse000018",2,96.3827,5.27
"D_mannose","bmse000018",3,78.8753,4.9
"D_mannose","bmse000018",4,75.7486,5.48
"D_mannose","bmse000018",5,75.1093,11.15
"D_mannose","bmse000018",6,73.9252,5.51
"D_mannose","bmse000018",7,73.3921,10.59
"D_mannose","bmse000018",8,72.9329,10.68
"D_mannose","bmse000018",9,69.5495,10.82
"D_mannose","bmse000018",10,69.3058,5.88
"D_mannose","bmse000018",11,63.666,12.5
"D_psicose","bmse000020",1,105.9793,2.62
"D_psicose","bmse000020",2,101.1482,2.31
"D_psicose","bmse000020",3,85.4184,12.5
"D_psicose","bmse000020",4,77.3405,2.67
"D_psicose","bmse000020",5,74.437,5.54
"D_psicose","bmse000020",6,73.7152,3.61
"D_psicose","bmse000020",7,73.0555,10.59
"D_psicose","bmse000020",8,73.0326,11.16
"D_psicose","bmse000020",9,72.9119,5.49
"D_psicose","bmse000020",10,71.7174,6.08
"D_psicose","bmse000020",11,68.562,7.08
"D_psicose","bmse000020",12,68.1859,7.9
"D_psicose","bmse000020",13,67.7838,6.98
"D_psicose","bmse000020",14,66.8844,6.45
"D_psicose","bmse000020",15,66.6778,4.36
"D_psicose","bmse000020",16,65.9583,9.93
"D_psicose","bmse000020",17,65.7568,6.2
"D_psicose","bmse000020",18,65.5148,3.26
"D_psicose","bmse000020",19,65.0727,3.8
"D_psicose","bmse000020",20,64.029,7.13
"D_psicose","bmse000020",21,60.6736,5.34
"D_sorbose","bmse000022",1,100.4423,2.8
"D_sorbose","bmse000022",2,76.5308,8.63
"D_sorbose","bmse000022",3,73.0506,8.72
"D_sorbose","bmse000022",4,72.1197,12.5
"D_sorbose","bmse000022",5,66.1492,9.88
"D_sorbose","bmse000022",6,64.4696,11
"D_tagatose","bmse000023",1,100.9098,3.49
"D_tagatose","bmse000023",2,73.6229,12.5
"D_tagatose","bmse000023",3,72.484,10.38
"D_tagatose","bmse000023",4,71.9743,2.2
"D_tagatose","bmse000023",5,69.0595,10.53
"D_tagatose","bmse000023",6,66.5918,10.06
"D_tagatose","bmse000023",7,66.403,1.92
"D_tagatose","bmse000023",8,66.1917,1.73
"D_tagatose","bmse000023",9,64.9495,7.98
"D_tagatose","bmse000023",10,62.8345,1.69
"D_xylose","bmse000026",1,99.3304,11.78
"D_xylose","bmse000026",2,94.9405,6.48
"D_xylose","bmse000026",3,78.526,10.11
"D_xylose","bmse000026",4,76.7418,12.5
"D_xylose","bmse000026",5,75.5229,5.77
"D_xylose","bmse000026",6,74.1661,6.42
"D_xylose","bmse000026",7,72.1118,6.54
"D_xylose","bmse000026",8,71.9378,12.28
"D_xylose","bmse000026",9,67.899,10.25
"D_xylose","bmse000026",10,63.6456,5.21
"alpha_ketoglutaric_acid","bmse000064",1,184.1528,2.07
"alpha_ketoglutaric_acid","bmse000064",2,38.5723,12.5
"alpha_ketoglutaric_acid","bmse000064",3,33.3219,9.83
"alpha_lactose","bmse000065",1,105.6382,8.25
"alpha_lactose","bmse000065",2,98.4725,7.33
"alpha_lactose","bmse000065",3,94.539,4.05
"alpha_lactose","bmse000065",4,81.1636,3.89
"alpha_lactose","bmse000065",5,81.0377,6.84
"alpha_lactose","bmse000065",6,78.0734,12.5
"alpha_lactose","bmse000065",7,77.522,7.34
"alpha_lactose","bmse000065",8,77.0808,7.32
"alpha_lactose","bmse000065",9,76.5296,7.28
"alpha_lactose","bmse000065",10,75.2407,11.24
"alpha_lactose","bmse000065",11,74.1286,4.28
"alpha_lactose","bmse000065",12,73.8715,4.75
"alpha_lactose","bmse000065",13,73.6835,9.31
"alpha_lactose","bmse000065",14,72.8271,3.84
"alpha_lactose","bmse000065",15,71.272,8.2
"alpha_lactose","bmse000065",16,63.7524,7.27
"alpha_lactose","bmse000065",17,62.8108,4.95
"alpha_lactose","bmse000065",18,62.6765,3.11
"4_aminobenzoic_acid","bmse000066",1,133.5667,12.5
"4_aminobenzoic_acid","bmse000066",2,128.9442,1.1
"4_aminobenzoic_acid","bmse000066",3,117.8119,11.36
"AMP","bmse000005",1,158.1415,3.52
"AMP","bmse000005",2,155.4083,9.41
"AMP","bmse000005",3,151.6344,4.45
"AMP","bmse000005",4,142.8031,7.78
"AMP","bmse000005",5,121.1486,2.72
"AMP","bmse000005",6,89.5563,11.53
"AMP","bmse000005",7,87.4594,6.04
"AMP","bmse000005",8,87.3722,6.06
"AMP","bmse000005",9,77.2299,12.5
"AMP","bmse000005",10,73.4036,12.24
"AMP","bmse000005",11,66.25,4.83
"AMP","bmse000005",12,66.2055,5.13
"anthranilic_acid","bmse000067",1,150.2702,2.1
"anthranilic_acid","bmse000067",2,134.7227,10.28
"anthranilic_acid","bmse000067",3,133.6538,12.5
"anthranilic_acid","bmse000067",4,123.4956,1.99
"anthranilic_acid","bmse000067",5,120.6937,11.1
"anthranilic_acid","bmse000067",6,120.3926,11.42
"L_arabitol","bmse000068",1,73.609,12.5
"L_arabitol","bmse000068",2,73.1399,11.93
"L_arabitol","bmse000068",3,72.9514,12.49
"L_arabitol","bmse000068",4,65.7296,10.81
"L_arabitol","bmse000068",5,65.6383,9.86
"ATP","bmse000006",1,158.2621,4.05
"ATP","bmse000006",2,155.4997,9.32
"ATP","bmse000006",3,151.7848,3.62
"ATP","bmse000006",4,142.6155,7.12
"ATP","bmse000006",5,121.2616,2.51
"ATP","bmse000006",6,89.3634,10.94
"ATP","bmse000006",7,86.7432,5.75
"ATP","bmse000006",8,86.6543,5.65
"ATP","bmse000006",9,76.9481,12.5
"ATP","bmse000006",10,72.9427,11.75
"ATP","bmse000006",11,67.8017,4.32
"ATP","bmse000006",12,67.7473,4.42
"betaine","bmse000069",1,171.9654,1.21
"betaine","bmse000069",2,68.893,3.07
"betaine","bmse000069",3,68.8587,3.29
"betaine","bmse000069",4,68.8297,3.27
"betaine","bmse000069",5,56.0898,10.14
"betaine","bmse000069",6,56.0509,12.5
"betaine","bmse000069",7,56.0118,10.21
"betaine_aldehyde","bmse000070",1,87.5694,9.74
"betaine_aldehyde","bmse000070",2,56.9587,10.45
"betaine_aldehyde","bmse000070",3,56.9195,12.5
"betaine_aldehyde","bmse000070",4,56.8886,11.17
"cadaverine","bmse000072",1,41.871,11.66
"cadaverine","bmse000072",2,28.9617,12.5
"cadaverine","bmse000072",3,25.3762,5.64
"cAMP","bmse000071",1,158.0318,4.3
"cAMP","bmse000071",2,155.524,10.63
"cAMP","bmse000071",3,150.7719,4.62
"cAMP","bmse000071",4,142.3466,9.68
"cAMP","bmse000071",5,121.2041,3.29
"cAMP","bmse000071",6,94.2109,12.5
"cAMP","bmse000071",7,80.0206,6.2
"cAMP","bmse000071",8,79.9754,6.98
"cAMP","bmse000071",9,75.0214,7.05
"cAMP","bmse000071",10,74.9418,7.25
"cAMP","bmse000071",11,74.463,6.46
"cAMP","bmse000071",12,70.0836,5.58
"cAMP","bmse000071",13,70.0142,5.05
"L_canavanine","bmse000073",1,177.0117,3.9
"L_canavanine","bmse000073",2,161.2671,2
"L_canavanine","bmse000073",3,74.5403,11.99
"L_canavanine","bmse000073",4,55.2855,12.02
"L_canavanine","bmse000073",5,31.809,12.5
"D_carnitine","bmse000074",1,180.7779,2.25
"D_carnitine","bmse000074",2,72.8193,4.47
"D_carnitine","bmse000074",3,72.7942,3.83
"D_carnitine","bmse000074",4,66.791,9.37
"D_carnitine","bmse000074",5,56.8328,10.48
"D_carnitine","bmse000074",6,56.7941,12.5
"D_carnitine","bmse000074",7,56.7554,10.44
"D_carnitine","bmse000074",8,45.6802,6.79
"chorismic_acid","bmse000075",1,155.9825,4.51
"chorismic_acid","bmse000075",2,137.1007,3.63
"chorismic_acid","bmse000075",3,132.6303,11.7
"chorismic_acid","bmse000075",4,131.7674,9.54
"chorismic_acid","bmse000075",5,126.7891,9.9
"chorismic_acid","bmse000075",6,95.5643,8.84
"chorismic_acid","bmse000075",7,82.3153,12.5
"chorismic_acid","bmse000075",8,72.8256,12.45
"citrate","bmse000076",1,184.7215,1.13
"citrate","bmse000076",2,182.0353,2.11
"citrate","bmse000076",3,77.9249,1.44
"citrate","bmse000076",4,48.4023,12.5
"coumarin","bmse000077",1,163.4646,0.72
"coumarin","bmse000077",2,156.7265,1.12
"coumarin","bmse000077",3,146.1206,6.54
"coumarin","bmse000077",4,134.5133,12.5
"coumarin","bmse000077",5,130.5441,8.87
"coumarin","bmse000077",6,127.1083,11.93
"coumarin","bmse000077",7,121.5098,1.08
"coumarin","bmse000077",8,119.5804,6.82
"coumarin","bmse000077",9,119.3784,7.14
"creatine","bmse000078",1,177.3494,1.87
"creatine","bmse000078",2,56.549,12.5
"creatine","bmse000078",3,39.6249,7.16
"creatine_phosphate","bmse000079",1,177.5977,1.69
"creatine_phosphate","bmse000079",2,56.5658,12.5
"creatine_phosphate","bmse000079",3,39.5149,7.02
"dehydro_proline","bmse000080",1,174.9837,1.15
"dehydro_proline","bmse000080",2,128.3998,11.9
"dehydro_proline","bmse000080",3,128.1163,10.28
"dehydro_proline","bmse000080",4,71.129,8.12
"dehydro_proline","bmse000080",5,55.1054,12.5
"D_3_phosphoglyceric_acid","bmse000007",1,181.5589,4.18
"D_3_phosphoglyceric_acid","bmse000007",2,75.6758,11.64
"D_3_phosphoglyceric_acid","bmse000007",3,75.5997,9.71
"D_3_phosphoglyceric_acid","bmse000007",4,69.5144,10.45
"D_3_phosphoglyceric_acid","bmse000007",5,69.4639,12.5
"D_fructose_1_6_bisphosphate","bmse000011",1,107.7441,1.24
"D_fructose_1_6_bisphosphate","bmse000011",2,107.6859,1.45
"D_fructose_1_6_bisphosphate","bmse000011",3,103.7998,2.79
"D_fructose_1_6_bisphosphate","bmse000011",4,103.7169,2.58
"D_fructose_1_6_bisphosphate","bmse000011",5,84.7524,1.84
"D_fructose_1_6_bisphosphate","bmse000011",6,84.6734,1.8
"D_fructose_1_6_bisphosphate","bmse000011",7,84.1618,3.88
"D_fructose_1_6_bisphosphate","bmse000011",8,82.4331,4.33
"D_fructose_1_6_bisphosphate","bmse000011",9,82.3517,4.54
"D_fructose_1_6_bisphosphate","bmse000011",10,79.436,3.58
"D_fructose_1_6_bisphosphate","bmse000011",11,78.4857,12.5
"D_fructose_1_6_bisphosphate","bmse000011",12,76.8309,8.44
"D_fructose_1_6_bisphosphate","bmse000011",13,68.3534,4.96
"D_fructose_1_6_bisphosphate","bmse000011",14,67.3714,1.78
"D_fructose_1_6_bisphosphate","bmse000011",15,67.0519,6.07
"D_fructose_1_6_bisphosphate","bmse000011",16,67.0078,5.96
"D_fructose_1_6_bisphosphate","bmse000011",17,66.9036,2.2
"D_fructose_1_6_bisphosphate","bmse000011",18,66.8591,2.2
"D_fructose_6_phosphate","bmse000012",1,107.1352,1.18
"D_fructose_6_phosphate","bmse000012",2,104.1799,5.96
"D_fructose_6_phosphate","bmse000012",3,84.4579,2.69
"D_fructose_6_phosphate","bmse000012",4,83.1582,1.38
"D_fructose_6_phosphate","bmse000012",5,83.081,1.12
"D_fructose_6_phosphate","bmse000012",6,82.6592,6.1
"D_fructose_6_phosphate","bmse000012",7,82.5783,5.8
"D_fructose_6_phosphate","bmse000012",8,78.536,2.85
"D_fructose_6_phosphate","bmse000012",9,77.8697,12.5
"D_fructose_6_phosphate","bmse000012",10,77.0604,11.73
"D_fructose_6_phosphate","bmse000012",11,67.0498,5.65
"D_fructose_6_phosphate","bmse000012",12,67.0041,5.36
"D_fructose_6_phosphate","bmse000012",13,66.1661,1.42
"D_fructose_6_phosphate","bmse000012",14,65.5593,2.38
"D_fructose_6_phosphate","bmse000012",15,65.331,9.82
"D_glucosamine","bmse000014",1,96.4205,8.72
"D_glucosamine","bmse000014",2,92.2506,9.77
"D_glucosamine","bmse000014",3,78.8513,9.64
"D_glucosamine","bmse000014",4,75.5831,6.35
"D_glucosamine","bmse000014",5,74.3295,12.27
"D_glucosamine","bmse000014",6,72.756,10.13
"D_glucosamine","bmse000014",7,72.4003,6.63
"D_glucosamine","bmse000014",8,72.3164,12.5
"D_glucosamine","bmse000014",9,63.2588,6.09
"D_glucosamine","bmse000014",10,63.0618,8.38
"D_glucosamine","bmse000014",11,59.6201,8.02
"D_glucosamine","bmse000014",12,57.0959,11.82
"D_glucose_6_phosphate","bmse000016",1,98.7788,8.55
"D_glucose_6_phosphate","bmse000016",2,94.9276,4.89
"D_glucose_6_phosphate","bmse000016",3,78.1764,4.82
"D_glucose_6_phosphate","bmse000016",4,78.106,3.56
"D_glucose_6_phosphate","bmse000016",5,77.9455,6.69
"D_glucose_6_phosphate","bmse000016",6,76.9831,9.41
"D_glucose_6_phosphate","bmse000016",7,75.0341,3.92
"D_glucose_6_phosphate","bmse000016",8,74.314,4.27
"D_glucose_6_phosphate","bmse000016",9,73.8171,2.12
"D_glucose_6_phosphate","bmse000016",10,73.7484,2.83
"D_glucose_6_phosphate","bmse000016",11,71.7635,12.5
"D_glucose_6_phosphate","bmse000016",12,65.5737,3.84
"D_glucose_6_phosphate","bmse000016",13,65.5308,3.24
"D_glucose_6_phosphate","bmse000016",14,65.4799,2.31
"D_maltose","bmse000017",1,102.3099,6.16
"D_maltose","bmse000017",2,102.2275,9.38
"D_maltose","bmse000017",3,98.4704,10.34
"D_maltose","bmse000017",4,94.5912,6.33
"D_maltose","bmse000017",5,79.5285,5.17
"D_maltose","bmse000017",6,79.3217,8.47
"D_maltose","bmse000017",7,78.9276,9.15
"D_maltose","bmse000017",8,77.2648,10.83
"D_maltose","bmse000017",9,76.7045,8.61
"D_maltose","bmse000017",10,75.9471,5.48
"D_maltose","bmse000017",11,75.5584,7.84
"D_maltose","bmse000017",12,75.5345,10.55
"D_maltose","bmse000017",13,75.3859,9.92
"D_maltose","bmse000017",14,74.4492,5.89
"D_maltose","bmse000017",15,74.3558,8.17
"D_maltose","bmse000017",16,73.9924,5.77
"D_maltose","bmse000017",17,72.6486,6.16
"D_maltose","bmse000017",18,72.0198,8.44
"D_maltose","bmse000017",19,63.4361,6.09
"D_maltose","bmse000017",20,63.2871,4.41
"D_maltose","bmse000017",21,63.1596,12.5
"D_ornithine","bmse000019",1,56.8208,12.5
"D_ornithine","bmse000019",2,41.5722,10.12
"D_ornithine","bmse000019",3,30.1825,12.11
"D_ornithine","bmse000019",4,25.4604,8.77
"D_threo_isocitric_acid","bmse000025",1,183.683,6.79
"D_threo_isocitric_acid","bmse000025",2,182.958,3.11
"D_threo_isocitric_acid","bmse000025",3,76.3916,11.16
"D_threo_isocitric_acid","bmse000025",4,51.8047,12.5
"D_threo_isocitric_acid","bmse000025",5,40.3285,10.98
"D_xylulose","bmse000027",1,108.4502,1.01
"D_xylulose","bmse000027",2,105.6511,3.08
"D_xylulose","bmse000027",3,83.18,3.1
"D_xylulose","bmse000027",4,78.9065,11.61
"D_xylulose","bmse000027",5,78.5426,3.96
"D_xylulose","bmse000027",6,78.011,2.93
"D_xylulose","bmse000027",7,77.5565,9.89
"D_xylulose","bmse000027",8,74.6749,2.45
"D_xylulose","bmse000027",9,74.6163,2.47
"D_xylulose","bmse000027",10,72.5201,10.76
"D_xylulose","bmse000027",11,68.7345,3.03
"D_xylulose","bmse000027",12,65.6799,12.5
"D_xylulose","bmse000027",13,65.1062,3.07
"D_xylulose","bmse000027",14,64.5556,3.06
"fumaric_acid","bmse000083",1,177.424,1.91
"fumaric_acid","bmse000083",2,138.042,12.5
"gluconic_acid","bmse000084",1,181.3386,1.89
"gluconic_acid","bmse000084",2,76.7743,10.33
"gluconic_acid","bmse000084",3,75.2613,9.8
"gluconic_acid","bmse000084",4,73.8705,12.36
"gluconic_acid","bmse000084",5,73.6525,10.2
"gluconic_acid","bmse000084",6,65.308,12.5
"alpha_D_glucose_1_phosphate","bmse000086",1,96.3867,5.99
"alpha_D_glucose_1_phosphate","bmse000086",2,96.3335,6.2
"alpha_D_glucose_1_phosphate","bmse000086",3,75.8391,10.34
"alpha_D_glucose_1_phosphate","bmse000086",4,74.9392,5.94
"alpha_D_glucose_1_phosphate","bmse000086",5,74.871,6.51
"alpha_D_glucose_1_phosphate","bmse000086",6,74.7037,12.5
"alpha_D_glucose_1_phosphate","bmse000086",7,72.4482,11.49
"alpha_D_glucose_1_phosphate","bmse000086",8,63.3999,9.58
"alpha_D_glucose_1_6_bisphosphate","bmse000087",1,96.6014,6.13
"alpha_D_glucose_1_6_bisphosphate","bmse000087",2,96.5465,7.96
"alpha_D_glucose_1_6_bisphosphate","bmse000087",3,75.3449,11.03
"alpha_D_glucose_1_6_bisphosphate","bmse000087",4,75.0612,6.57
"alpha_D_glucose_1_6_bisphosphate","bmse000087",5,74.9873,7.68
"alpha_D_glucose_1_6_bisphosphate","bmse000087",6,74.3802,6.65
"alpha_D_glucose_1_6_bisphosphate","bmse000087",7,74.317,7.4
"alpha_D_glucose_1_6_bisphosphate","bmse000087",8,71.5781,12.5
"alpha_D_glucose_1_6_bisphosphate","bmse000087",9,65.3993,4.84
"alpha_D_glucose_1_6_bisphosphate","bmse000087",10,65.3536,5.06
"glycine","bmse000089",1,175.1557,1.97
"glycine","bmse000089",2,44.1252,12.5
"guanine","bmse000090",1,170.3632,9.04
"guanine","bmse000090",2,163.6535,12.5
"guanine","bmse000090",3,161.8796,11.9
"guanine","bmse000090",4,120.9619,9.12
"guanosine","bmse000091",1,170.5025,1.71
"guanosine","bmse000091",2,163.3657,1.47
"guanosine","bmse000091",3,153.5645,2.67
"guanosine","bmse000091",4,139.3656,9.14
"guanosine","bmse000091",5,121.0084,1.46
"guanosine","bmse000091",6,90.841,11.95
"guanosine","bmse000091",7,88.5938,12.21
"guanosine","bmse000091",8,75.8197,12.21
"guanosine","bmse000091",9,73.7609,12.5
"guanosine","bmse000091",10,64.5009,9.96
"4_hydroxybenzoic_acid","bmse000092",1,161.2131,1.26
"4_hydroxybenzoic_acid","bmse000092",2,133.942,12.5
"4_hydroxybenzoic_acid","bmse000092",3,130.8287,1.62
"4_hydroxybenzoic_acid","bmse000092",4,117.592,10.22
"trans_3_hydroxycinnamic_acid","bmse000093",1,178.4192,2.27
"trans_3_hydroxycinnamic_acid","bmse000093",2,158.5422,3.6
"trans_3_hydroxycinnamic_acid","bmse000093",3,143.1901,8.95
"trans_3_hydroxycinnamic_acid","bmse000093",4,139.6042,3.48
"trans_3_hydroxycinnamic_acid","bmse000093",5,133.0298,11.46
"trans_3_hydroxycinnamic_acid","bmse000093",6,127.174,8.41
"trans_3_hydroxycinnamic_acid","bmse000093",7,122.9365,12.5
"trans_3_hydroxycinnamic_acid","bmse000093",8,119.3249,10.36
"trans_3_hydroxycinnamic_acid","bmse000093",9,116.6163,10.36
"hypoxanthine","bmse000094",1,164.9523,1.17
"hypoxanthine","bmse000094",2,159.7264,2.08
"hypoxanthine","bmse000094",3,150.37,10.69
"hypoxanthine","bmse000094",4,149.1756,12.5
"hypoxanthine","bmse000094",5,123.2364,1.06
"imidazole","bmse000096",1,137.7708,3.03
"imidazole","bmse000096",2,123.4233,12.5
"indole","bmse000097",1,138.3981,1.25
"indole","bmse000097",2,130.4755,1.24
"indole","bmse000097",3,126.7831,8.65
"indole","bmse000097",4,124.6229,12.5
"indole","bmse000097",5,123.3758,10.66
"indole","bmse000097",6,122.4493,10.48
"indole","bmse000097",7,113.6756,9.74
"indole","bmse000097",8,105.2378,11.58
"inosine","bmse000098",1,151.078,2.3
"inosine","bmse000098",2,148.9185,8.98
"inosine","bmse000098",3,142.8874,7.4
"inosine","bmse000098",4,126.8411,1.65
"inosine","bmse000098",5,91.1086,8.08
"inosine","bmse000098",6,88.2694,11.43
"inosine","bmse000098",7,76.7759,12.5
"inosine","bmse000098",8,73.0828,10.32
"inosine","bmse000098",9,64.0173,8.72
"i_erythritol","bmse000095",1,74.6148,12.5
"i_erythritol","bmse000095",2,65.3077,8.45
"L_alanine","bmse000028",1,178.5574,1.16
"L_alanine","bmse000028",2,53.2035,9.48
"L_alanine","bmse000028",3,18.8465,12.5
"L_arginine","bmse000029",1,177.2125,3.21
"L_arginine","bmse000029",2,57.0216,10.14
"L_arginine","bmse000029",3,43.2011,12.5
"L_arginine","bmse000029",4,30.2885,11.19
"L_arginine","bmse000029",5,26.5758,9.54
"L_asparagine","bmse000030",1,177.1771,1.47
"L_asparagine","bmse000030",2,176.209,1.94
"L_asparagine","bmse000030",3,53.9932,12.5
"L_asparagine","bmse000030",4,37.2983,11.26
"L_aspartic_acid","bmse000031",1,180.297,3.41
"L_aspartic_acid","bmse000031",2,176.9954,2.67
"L_aspartic_acid","bmse000031",3,54.9142,11.68
"L_aspartic_acid","bmse000031",4,39.2604,12.5
"L_citrulline","bmse000032",1,177.3878,3.15
"L_citrulline","bmse000032",2,164.2805,1.25
"L_citrulline","bmse000032",3,57.2048,11.84
"L_citrulline","bmse000032",4,41.9551,1.88
"L_citrulline","bmse000032",5,30.4444,12.5
"L_citrulline","bmse000032",6,27.6682,7.93
"L_cystathionine","bmse000033",1,56.4392,8
"L_cystathionine","bmse000033",2,56.2614,10.81
"L_cystathionine","bmse000033",3,34.8058,9.84
"L_cystathionine","bmse000033",4,32.8913,9.2
"L_cystathionine","bmse000033",5,29.7625,12.5
"L_cysteine","bmse000034",1,58.731,9.48
"L_cysteine","bmse000034",2,27.687,12.5
"L_cystine","bmse000035",1,183.331,3.03
"L_cystine","bmse000035",2,57.5783,12.5
"L_cystine","bmse000035",3,46.0281,10.99
"L_fucose","bmse000036",1,98.936,11.78
"L_fucose","bmse000036",2,94.9206,4.76
"L_fucose","bmse000036",3,75.6252,9.59
"L_fucose","bmse000036",4,74.6014,4.86
"L_fucose","bmse000036",5,74.3627,10.92
"L_fucose","bmse000036",6,74.1543,8.8
"L_fucose","bmse000036",7,73.586,9.85
"L_fucose","bmse000036",8,71.9701,4.6
"L_fucose","bmse000036",9,70.7832,3.67
"L_fucose","bmse000036",10,69.0314,4.4
"L_fucose","bmse000036",11,18.2232,12.5
"L_glutamic_acid","bmse000037",1,184.0438,2.16
"L_glutamic_acid","bmse000037",2,177.297,1.79
"L_glutamic_acid","bmse000037",3,57.3356,12.29
"L_glutamic_acid","bmse000037",4,36.1753,9.58
"L_glutamic_acid","bmse000037",5,29.6742,12.5
"L_glutamine","bmse000038",1,180.3694,1.86
"L_glutamine","bmse000038",2,176.8264,2.47
"L_glutamine","bmse000038",3,56.8326,9.96
"L_glutamine","bmse000038",4,33.528,10.99
"L_glutamine","bmse000038",5,28.9528,12.5
"L_histidine","bmse000039",1,176.6511,1.83
"L_histidine","bmse000039",2,138.9728,9.16
"L_histidine","bmse000039",3,134.6686,2.25
"L_histidine","bmse000039",4,119.5492,8.47
"L_histidine","bmse000039",5,57.4737,12.5
"L_histidine","bmse000039",6,30.7804,11.71
"L_homoserine","bmse000040",1,177.2374,1.7
"L_homoserine","bmse000040",2,61.3363,12.5
"L_homoserine","bmse000040",3,56.0719,8.39
"L_homoserine","bmse000040",4,34.8823,11.17
"L_isoleucine","bmse000041",1,176.9223,1.89
"L_isoleucine","bmse000041",2,62.2493,12.5
"L_isoleucine","bmse000041",3,38.5957,9.56
"L_isoleucine","bmse000041",4,27.1531,12.15
"L_isoleucine","bmse000041",5,17.3893,8.4
"L_isoleucine","bmse000041",6,13.8035,7.76
"L_leucine","bmse000042",1,178.3284,2.9
"L_leucine","bmse000042",2,56.1175,11.06
"L_leucine","bmse000042",3,42.5151,11.41
"L_leucine","bmse000042",4,26.8579,12.5
"L_leucine","bmse000042",5,24.7283,9.43
"L_leucine","bmse000042",6,23.5808,12.45
"L_lysine","bmse000043",1,177.4077,2.58
"L_lysine","bmse000043",2,57.1969,9.77
"L_lysine","bmse000043",3,41.7595,10.04
"L_lysine","bmse000043",4,32.6068,10.59
"L_lysine","bmse000043",5,29.1125,12.5
"L_lysine","bmse000043",6,24.1325,10.95
"malic_acid","bmse000046",1,183.7669,2.25
"malic_acid","bmse000046",2,182.5706,2
"malic_acid","bmse000046",3,73.0495,9.52
"malic_acid","bmse000046",4,45.3174,12.5
"L_methionine","bmse000044",1,177.0256,1.63
"L_methionine","bmse000044",2,56.5949,11.7
"L_methionine","bmse000044",3,32.3948,11.02
"L_methionine","bmse000044",4,31.5117,12.5
"L_methionine","bmse000044",5,16.6207,5.66
"L_phenylalanine","bmse000045",1,137.8245,2.32
"L_phenylalanine","bmse000045",2,132.08,12.5
"L_phenylalanine","bmse000045",3,131.8234,9.6
"L_phenylalanine","bmse000045",4,130.4017,5.37
"L_phenylalanine","bmse000045",5,58.7477,5.25
"L_phenylalanine","bmse000045",6,39.0993,5.55
"L_proline","bmse000047",1,177.4144,1.3
"L_proline","bmse000047",2,63.9229,11.05
"L_proline","bmse000047",3,48.7631,9.32
"L_proline","bmse000047",4,31.6863,12.5
"L_proline","bmse000047",5,26.4548,9.6
"L_serine","bmse000048",1,62.8928,12.5
"L_serine","bmse000048",2,59.0815,8.62
"L_threonine","bmse000049",1,175.6411,1.16
"L_threonine","bmse000049",2,68.6408,12.03
"L_threonine","bmse000049",3,63.1368,12.5
"L_threonine","bmse000049",4,22.1352,12.2
"L_tryptophan","bmse000050",1,177.255,2.71
"L_tryptophan","bmse000050",2,139.0401,1.59
"L_tryptophan","bmse000050",3,129.3512,1.89
"L_tryptophan","bmse000050",4,127.7463,10.84
"L_tryptophan","bmse000050",5,124.8346,12.27
"L_tryptophan","bmse000050",6,122.1638,12.5
"L_tryptophan","bmse000050",7,121.1566,12.38
"L_tryptophan","bmse000050",8,114.6587,10.23
"L_tryptophan","bmse000050",9,110.1782,4.04
"L_tryptophan","bmse000050",10,57.7537,11.28
"L_tryptophan","bmse000050",11,29.1016,11.57
"L_tyrosine","bmse000051",1,184.1279,1.35
"L_tyrosine","bmse000051",2,163.7886,1.13
"L_tyrosine","bmse000051",3,133.3998,10.61
"L_tyrosine","bmse000051",4,128.0459,2.21
"L_tyrosine","bmse000051",5,120.2955,12.5
"L_tyrosine","bmse000051",6,60.0412,5.12
"L_tyrosine","bmse000051",7,41.8233,4.45
"L_valine","bmse000052",1,63.0706,10.1
"L_valine","bmse000052",2,31.7958,11.73
"L_valine","bmse000052",3,20.6547,12.29
"L_valine","bmse000052",4,19.3267,12.5
"D_mannitol","bmse000099",1,73.4901,12.5
"D_mannitol","bmse000099",2,71.9258,8.62
"D_mannitol","bmse000099",3,65.9197,11.81
"meso_erythritol","bmse000100",1,74.6159,12.5
"meso_erythritol","bmse000100",2,65.309,8.37
"methyl_oxobutanoic_acid","bmse000101",1,39.7045,5.48
"methyl_oxobutanoic_acid","bmse000101",2,19.0607,12.5
"muco_inositol","bmse000102",1,75.0137,6.8
"muco_inositol","bmse000102",2,72.8728,12.5
"myo_inositol","bmse000103",1,77.0519,5.9
"myo_inositol","bmse000103",2,75.1054,12.5
"myo_inositol","bmse000103",3,74.8867,4.4
"myo_inositol","bmse000103",4,73.8316,10.8
"NAD","bmse000053",1,167.8653,3.69
"NAD","bmse000053",2,158.0181,4.21
"NAD","bmse000053",3,155.468,8.5
"NAD","bmse000053",4,151.5966,5.8
"NAD","bmse000053",5,148.4441,6.77
"NAD","bmse000053",6,145.0618,5.64
"NAD","bmse000053",7,142.6338,5.11
"NAD","bmse000053",8,142.3914,7.13
"NAD","bmse000053",9,136.3277,6.28
"NAD","bmse000053",10,131.3233,7.72
"NAD","bmse000053",11,121.0165,3.15
"NAD","bmse000053",12,102.7367,9.04
"NAD","bmse000053",13,89.7361,5.45
"NAD","bmse000053",14,89.6488,5.15
"NAD","bmse000053",15,89.3547,10.54
"NAD","bmse000053",16,86.5859,5.25
"NAD","bmse000053",17,86.4979,5.24
"NAD","bmse000053",18,80.3065,12.5
"NAD","bmse000053",19,76.6526,12.24
"NAD","bmse000053",20,73.2929,11.75
"NAD","bmse000053",21,73.0829,11.48
"NAD","bmse000053",22,68.1579,4.36
"NAD","bmse000053",23,68.1059,4.27
"NAD","bmse000053",24,67.6491,4.7
"NAD","bmse000053",25,67.5973,4.24
"NADH","bmse000054",1,175.3474,5.48
"NADH","bmse000054",2,158.1968,4.24
"NADH","bmse000054",3,155.4171,8.83
"NADH","bmse000054",4,151.5844,5.71
"NADH","bmse000054",5,142.3515,6.8
"NADH","bmse000054",6,141.1257,9.71
"NADH","bmse000054",7,126.4094,7.79
"NADH","bmse000054",8,121.2963,4.16
"NADH","bmse000054",9,108.0387,9.52
"NADH","bmse000054",10,102.5371,7.01
"NADH","bmse000054",11,97.7448,9.22
"NADH","bmse000054",12,89.7936,11.06
"NADH","bmse000054",13,86.3582,5.51
"NADH","bmse000054",14,85.0981,5.6
"NADH","bmse000054",15,77.2518,12.23
"NADH","bmse000054",16,73.4643,12.14
"NADH","bmse000054",17,73.2824,12.5
"NADH","bmse000054",18,72.9239,9.04
"NADH","bmse000054",19,68.6321,4.65
"NADH","bmse000054",20,67.8556,4.52
"NADH","bmse000054",21,24.5551,8.23
"NADH","bmse000054",22,19.5029,3.45
"NADPH","bmse000055",1,175.4549,3.91
"NADPH","bmse000055",2,158.2562,4.4
"NADPH","bmse000055",3,155.3726,8.4
"NADPH","bmse000055",4,151.6612,4.78
"NADPH","bmse000055",5,142.7666,6.52
"NADPH","bmse000055",6,141.0746,8.37
"NADPH","bmse000055",7,126.4637,8.6
"NADPH","bmse000055",8,108.0154,8.41
"NADPH","bmse000055",9,102.5834,6.37
"NADPH","bmse000055",10,97.6847,9.4
"NADPH","bmse000055",11,89.5671,4.71
"NADPH","bmse000055",12,89.4832,4.7
"NADPH","bmse000055",13,85.6232,4.52
"NADPH","bmse000055",14,85.136,4.45
"NADPH","bmse000055",15,79.2632,4.94
"NADPH","bmse000055",16,73.4756,12.5
"NADPH","bmse000055",17,73.324,11.5
"NADPH","bmse000055",18,72.7309,8.21
"NADPH","bmse000055",19,68.5416,4.39
"NADPH","bmse000055",20,67.9571,5.25
"NADPH","bmse000055",21,24.6213,6.74
"niacin","bmse000104",1,176.0593,0.88
"niacin","bmse000104",2,153.1473,12.5
"niacin","bmse000104",3,151.7346,9.43
"niacin","bmse000104",4,140.3918,11.16
"niacin","bmse000104",5,135.0395,2.37
"niacin","bmse000104",6,126.6461,10.94
"nicotine","bmse000105",1,152.9553,11.86
"nicotine","bmse000105",2,151.8079,8.39
"nicotine","bmse000105",3,139.9786,11.24
"nicotine","bmse000105",4,132.2848,2.82
"nicotine","bmse000105",5,127.6138,11.08
"nicotine","bmse000105",6,72.3903,8.23
"nicotine","bmse000105",7,58.7754,9.8
"nicotine","bmse000105",8,40.9138,11.41
"nicotine","bmse000105",9,33.0757,8.96
"nicotine","bmse000105",10,24.2203,12.5
"N_acetylneuraminic_acid","bmse000057",1,179.4931,2.99
"N_acetylneuraminic_acid","bmse000057",2,177.4691,5.36
"N_acetylneuraminic_acid","bmse000057",3,99.1066,6.81
"N_acetylneuraminic_acid","bmse000057",4,73.0136,10.35
"N_acetylneuraminic_acid","bmse000057",5,72.9084,11.02
"N_acetylneuraminic_acid","bmse000057",6,71.2583,9.48
"N_acetylneuraminic_acid","bmse000057",7,70.0063,10.08
"N_acetylneuraminic_acid","bmse000057",8,66.0063,10.13
"N_acetylneuraminic_acid","bmse000057",9,54.9693,12.5
"N_acetylneuraminic_acid","bmse000057",10,42.0905,8.84
"N_acetylneuraminic_acid","bmse000057",11,24.8195,11.34
"N_acetyl_D_mannosamine","bmse000056",1,178.4248,1.93
"N_acetyl_D_mannosamine","bmse000056",2,177.4968,2.6
"N_acetyl_D_mannosamine","bmse000056",3,95.8209,8.31
"N_acetyl_D_mannosamine","bmse000056",4,95.688,9.13
"N_acetyl_D_mannosamine","bmse000056",5,79.0399,10.23
"N_acetyl_D_mannosamine","bmse000056",6,74.7525,9.08
"N_acetyl_D_mannosamine","bmse000056",7,74.6939,8.91
"N_acetyl_D_mannosamine","bmse000056",8,71.5593,11.26
"N_acetyl_D_mannosamine","bmse000056",9,69.4618,11.11
"N_acetyl_D_mannosamine","bmse000056",10,69.1894,8.23
"N_acetyl_D_mannosamine","bmse000056",11,63.0714,12.5
"N_acetyl_D_mannosamine","bmse000056",12,56.7834,6.76
"N_acetyl_D_mannosamine","bmse000056",13,55.9143,11.74
"N_acetyl_D_mannosamine","bmse000056",14,24.7467,6.42
"N_acetyl_D_mannosamine","bmse000056",15,24.6103,7.83
"oxalate","bmse000106",1,176.1386,12.5
"O_succinyl_L_homoserine","bmse000058",1,183.8863,2.56
"O_succinyl_L_homoserine","bmse000058",2,178.3647,2.14
"O_succinyl_L_homoserine","bmse000058",3,176.7702,2.64
"O_succinyl_L_homoserine","bmse000058",4,64.4599,9.53
"O_succinyl_L_homoserine","bmse000058",5,55.5165,8.79
"O_succinyl_L_homoserine","bmse000058",6,35.6935,1.47
"O_succinyl_L_homoserine","bmse000058",7,34.6435,11.39
"O_succinyl_L_homoserine","bmse000058",8,33.1998,12.5
"O_succinyl_L_homoserine","bmse000058",9,32.0477,7.9
"phosphoenolpyruvic_acid","bmse000107",1,152.4983,4.37
"phosphoenolpyruvic_acid","bmse000107",2,152.4267,2.42
"phosphoenolpyruvic_acid","bmse000107",3,102.8677,10.91
"phosphoenolpyruvic_acid","bmse000107",4,102.8401,12.5
"prephenic_acid","bmse000108",1,134.012,12.19
"prephenic_acid","bmse000108",2,130.3553,12.5
"prephenic_acid","bmse000108",3,64.0727,7.77
"prephenic_acid","bmse000108",4,51.2462,2.5
"prephenic_acid","bmse000108",5,50.6545,5.86
"putrescine","bmse000109",1,41.551,11.73
"putrescine","bmse000109",2,26.5984,12.5
"pyridoxal","bmse000110",1,161.5671,1.78
"pyridoxal","bmse000110",2,148.0785,2.3
"pyridoxal","bmse000110",3,140.9568,3.28
"pyridoxal","bmse000110",4,139.5279,4.52
"pyridoxal","bmse000110",5,120.0727,6.07
"pyridoxal","bmse000110",6,102.0212,10.48
"pyridoxal","bmse000110",7,72.5072,12.5
"pyridoxal","bmse000110",8,17.5108,7.09
"pyridoxal_5_phosphate","bmse000111",1,198.7901,4.06
"pyridoxal_5_phosphate","bmse000111",2,154.2739,7.56
"pyridoxal_5_phosphate","bmse000111",3,139.0553,2.73
"pyridoxal_5_phosphate","bmse000111",4,138.9802,2.7
"pyridoxal_5_phosphate","bmse000111",5,128.8539,3.48
"pyridoxal_5_phosphate","bmse000111",6,126.7748,3.24
"pyridoxal_5_phosphate","bmse000111",7,91.4524,2.95
"pyridoxal_5_phosphate","bmse000111",8,64.4322,9.86
"pyridoxal_5_phosphate","bmse000111",9,64.3954,7.79
"pyridoxal_5_phosphate","bmse000111",10,18.7125,12.5
"pyridoxal_5_phosphate","bmse000111",11,17.3618,2.26
"pyridoxamine","bmse000130",1,165.5851,1.63
"pyridoxamine","bmse000130",2,148.1236,2.38
"pyridoxamine","bmse000130",3,138.2661,5.06
"pyridoxamine","bmse000130",4,134.7636,2.63
"pyridoxamine","bmse000130",5,126.6506,8.52
"pyridoxamine","bmse000130",6,61.8257,9.73
"pyridoxamine","bmse000130",7,39.2287,12.5
"pyridoxamine","bmse000130",8,18.1093,10.27
"pyridoxamine_5_phosphate","bmse000131",1,165.6996,3.42
"pyridoxamine_5_phosphate","bmse000131",2,147.3396,4.49
"pyridoxamine_5_phosphate","bmse000131",3,137.5932,4.37
"pyridoxamine_5_phosphate","bmse000131",4,137.5201,3.66
"pyridoxamine_5_phosphate","bmse000131",5,135.8735,6.9
"pyridoxamine_5_phosphate","bmse000131",6,125.9833,8.38
"pyridoxamine_5_phosphate","bmse000131",7,64.3374,8.14
"pyridoxamine_5_phosphate","bmse000131",8,64.2962,7.45
"pyridoxamine_5_phosphate","bmse000131",9,38.955,12.5
"pyridoxamine_5_phosphate","bmse000131",10,17.7372,11.91
"scyllo_inositol","bmse000113",1,76.2821,12.5
"shikimic_acid","bmse000114",1,178.0757,1.84
"shikimic_acid","bmse000114",2,138.7121,3.69
"shikimic_acid","bmse000114",3,133.2065,8.63
"shikimic_acid","bmse000114",4,74.7462,8.91
"shikimic_acid","bmse000114",5,69.5201,11.73
"shikimic_acid","bmse000114",6,68.9871,12.5
"shikimic_acid","bmse000114",7,35.3685,8.86
"D_sorbitol","bmse000115",1,75.6364,11.8
"D_sorbitol","bmse000115",2,73.7844,11.91
"D_sorbitol","bmse000115",3,73.6628,11.46
"D_sorbitol","bmse000115",4,72.3478,12.5
"D_sorbitol","bmse000115",5,65.5074,7.86
"D_sorbitol","bmse000115",6,65.1126,9.65
"spermidine","bmse000116",1,49.7685,12.5
"spermidine","bmse000116",2,47.255,9.6
"spermidine","bmse000116",3,41.5152,10.94
"spermidine","bmse000116",4,39.2998,10.61
"spermidine","bmse000116",5,26.64,10.09
"spermidine","bmse000116",6,26.5227,9.51
"spermidine","bmse000116",7,25.4882,11.59
"spermine","bmse000117",1,50.4642,10.16
"spermine","bmse000117",2,48.3361,12.5
"spermine","bmse000117",3,40.6981,12.1
"spermine","bmse000117",4,30.823,7.1
"spermine","bmse000117",5,27.6835,10.97
"succinic_acid","bmse000118",1,185.1648,1.78
"succinic_acid","bmse000118",2,36.8897,12.5
"sucrose","bmse000119",1,106.3887,6.15
"sucrose","bmse000119",2,94.8829,11.39
"sucrose","bmse000119",3,84.0666,11.94
"sucrose","bmse000119",4,79.0967,11.54
"sucrose","bmse000119",5,76.6892,12.13
"sucrose","bmse000119",6,75.2562,11.56
"sucrose","bmse000119",7,75.107,12.4
"sucrose","bmse000119",8,73.7694,11.94
"sucrose","bmse000119",9,71.9114,12.5
"sucrose","bmse000119",10,65.0741,11.11
"sucrose","bmse000119",11,64.0305,10.38
"sucrose","bmse000119",12,62.8059,9.96
"S_adenosyl_L_methionine","bmse000059",1,177.2049,1.06
"S_adenosyl_L_methionine","bmse000059",2,175.5374,3.57
"S_adenosyl_L_methionine","bmse000059",3,158.2573,4.07
"S_adenosyl_L_methionine","bmse000059",4,158.1473,1.23
"S_adenosyl_L_methionine","bmse000059",5,155.5574,8.68
"S_adenosyl_L_methionine","bmse000059",6,155.4871,3.71
"S_adenosyl_L_methionine","bmse000059",7,154.9459,1.28
"S_adenosyl_L_methionine","bmse000059",8,151.4918,1.4
"S_adenosyl_L_methionine","bmse000059",9,151.3094,4.84
"S_adenosyl_L_methionine","bmse000059",10,143.3489,7.53
"S_adenosyl_L_methionine","bmse000059",11,142.6447,2.96
"S_adenosyl_L_methionine","bmse000059",12,121.7408,3.05
"S_adenosyl_L_methionine","bmse000059",13,91.8,12.5
"S_adenosyl_L_methionine","bmse000059",14,90.1262,1.08
"S_adenosyl_L_methionine","bmse000059",15,90.0407,3.67
"S_adenosyl_L_methionine","bmse000059",16,85.9474,3.7
"S_adenosyl_L_methionine","bmse000059",17,81.4782,2.83
"S_adenosyl_L_methionine","bmse000059",18,80.8642,9.06
"S_adenosyl_L_methionine","bmse000059",19,76.1774,4.19
"S_adenosyl_L_methionine","bmse000059",20,75.6933,3.46
"S_adenosyl_L_methionine","bmse000059",21,75.4417,10.55
"S_adenosyl_L_methionine","bmse000059",22,75.2896,11.21
"S_adenosyl_L_methionine","bmse000059",23,75.2102,3.9
"S_adenosyl_L_methionine","bmse000059",24,75.0576,4.66
"S_adenosyl_L_methionine","bmse000059",25,61.3914,4.52
"S_adenosyl_L_methionine","bmse000059",26,60.181,3.6
"S_adenosyl_L_methionine","bmse000059",27,56.1328,4.11
"S_adenosyl_L_methionine","bmse000059",28,55.5398,11.64
"S_adenosyl_L_methionine","bmse000059",29,55.4732,3.85
"S_adenosyl_L_methionine","bmse000059",30,51.6245,1.02
"S_adenosyl_L_methionine","bmse000059",31,47.0027,7.3
"S_adenosyl_L_methionine","bmse000059",32,41.6503,2.53
"S_adenosyl_L_methionine","bmse000059",33,41.5608,8
"S_adenosyl_L_methionine","bmse000059",34,39.296,1.04
"S_adenosyl_L_methionine","bmse000059",35,38.5747,3.27
"S_adenosyl_L_methionine","bmse000059",36,34.9032,4.07
"S_adenosyl_L_methionine","bmse000059",37,28.138,8.12
"S_adenosyl_L_methionine","bmse000059",38,27.9802,2.58
"S_adenosyl_L_methionine","bmse000059",39,26.5384,1.05
"S_adenosyl_L_methionine","bmse000059",40,26.4688,3.89
"S_adenosyl_L_methionine","bmse000059",41,26.1398,11.37
"S_adenosyl_L_methionine","bmse000059",42,19.5416,3.82
"S_adenosyl_L_methionine","bmse000059",43,18.0425,2.93
"taurine","bmse000120",1,50.2124,12.5
"taurine","bmse000120",2,38.0682,11.7
"L_threitol","bmse000121",1,74.3047,12.5
"L_threitol","bmse000121",2,65.3263,12.42
"trans_4_hydroxy_L_proline","bmse000123",1,177.0263,1.29
"trans_4_hydroxy_L_proline","bmse000123",2,72.7686,12.34
"trans_4_hydroxy_L_proline","bmse000123",3,62.5265,8.41
"trans_4_hydroxy_L_proline","bmse000123",4,55.643,12.5
"trans_4_hydroxy_L_proline","bmse000123",5,40.1298,9.82
"trans_cinnamic_acid","bmse000124",1,143.5556,4.31
"trans_cinnamic_acid","bmse000124",2,137.8775,1.34
"trans_cinnamic_acid","bmse000124",3,132.3324,6.15
"trans_cinnamic_acid","bmse000124",4,131.6902,9.94
"trans_cinnamic_acid","bmse000124",5,130.4135,12.5
"trans_cinnamic_acid","bmse000124",6,126.8267,3.92
"D_trehalose","bmse000125",1,95.9171,12.5
"D_trehalose","bmse000125",2,75.2081,11.88
"D_trehalose","bmse000125",3,74.8491,10.1
"D_trehalose","bmse000125",4,73.7422,9.97
"D_trehalose","bmse000125",5,72.3894,11.58
"D_trehalose","bmse000125",6,63.2132,8.55
"uric_acid","bmse000126",1,167.6653,6.04
"uric_acid","bmse000126",2,165.3393,12.5
"uric_acid","bmse000126",3,162.2146,6.72
"uric_acid","bmse000126",4,156.4958,8.87
"uric_acid","bmse000126",5,104.5779,6.55
"xanthine","bmse000127",1,163.3303,1.9
"xanthine","bmse000127",2,161.9958,1.23
"xanthine","bmse000127",3,158.0123,1.54
"xanthine","bmse000127",4,142.7225,12.5
"xanthine","bmse000127",5,116.2503,1.15
"xanthosine","bmse000128",1,163.7475,1.41
"xanthosine","bmse000128",2,162.2764,1.3
"xanthosine","bmse000128",3,155.8547,2.56
"xanthosine","bmse000128",4,140.0607,9.27
"xanthosine","bmse000128",5,118.2068,1.28
"xanthosine","bmse000128",6,90.6608,11.73
"xanthosine","bmse000128",7,88.5324,12.41
"xanthosine","bmse000128",8,75.9737,12.5
"xanthosine","bmse000128",9,73.5577,11.03
"xanthosine","bmse000128",10,64.3556,8.81
"xylitol","bmse000129",1,74.6275,11.33
"xylitol","bmse000129",2,73.4743,6.7
"xylitol","bmse000129",3,65.3143,12.5
"tyramine","bmse000243",1,157.2984,1.41
"tyramine","bmse000243",2,132.9956,12.5
"tyramine","bmse000243",3,131.1649,2.03
"tyramine","bmse000243",4,118.5125,12.18
"tyramine","bmse000243",5,43.4518,5.34
"tyramine","bmse000243",6,34.6329,6.06
"L_carnosine","bmse000246",1,180.2008,3.84
"L_carnosine","bmse000246",2,174.3323,4.86
"L_carnosine","bmse000246",3,137.5197,9.53
"L_carnosine","bmse000246",4,134.6631,4.69
"L_carnosine","bmse000246",5,119.8491,10.48
"L_carnosine","bmse000246",6,57.5784,11.65
"L_carnosine","bmse000246",7,38.3703,11.44
"L_carnosine","bmse000246",8,34.7671,12.5
"L_carnosine","bmse000246",9,30.9947,9.98
"glycolate","bmse000245",1,182.6562,5.25
"glycolate","bmse000245",2,63.9098,12.5
"1_3_dimethylurea","bmse000248",1,29.1399,12.5
"D_glucosamine","bmse000247",1,96.7337,8.51
"D_glucosamine","bmse000247",2,92.4167,12.41
"D_glucosamine","bmse000247",3,78.843,9.89
"D_glucosamine","bmse000247",4,75.8685,8.3
"D_glucosamine","bmse000247",5,74.3489,12.5
"D_glucosamine","bmse000247",6,72.9419,11.22
"D_glucosamine","bmse000247",7,72.4037,9.8
"D_glucosamine","bmse000247",8,72.3301,12.04
"D_glucosamine","bmse000247",9,63.2894,7.62
"D_glucosamine","bmse000247",10,63.0782,11.08
"D_glucosamine","bmse000247",11,59.6847,8.44
"D_glucosamine","bmse000247",12,57.1428,11.73
"isethionic_acid","bmse000242",1,59.6397,12.02
"isethionic_acid","bmse000242",2,55.5295,12.5
"N_N_dimethylglycine","bmse000241",1,62.5717,6.55
"N_N_dimethylglycine","bmse000241",2,46.2286,12.5
"dihydroxyacetone","bmse000144",1,214.7833,3.78
"dihydroxyacetone","bmse000144",2,97.773,1.6
"dihydroxyacetone","bmse000144",3,66.2429,12.5
"N_acetyl_L_glutamine","bmse000145",1,181.3622,2.37
"N_acetyl_L_glutamine","bmse000145",2,181.1277,3.44
"N_acetyl_L_glutamine","bmse000145",3,176.3862,3.32
"N_acetyl_L_glutamine","bmse000145",4,57.3658,12.5
"N_acetyl_L_glutamine","bmse000145",5,34.4405,9.75
"N_acetyl_L_glutamine","bmse000145",6,30.4549,10.18
"N_acetyl_L_glutamine","bmse000145",7,24.6247,9.17
"ADA","bmse000146",1,180.0279,1.66
"ADA","bmse000146",2,60.0622,12.5
"ADA","bmse000146",3,59.955,1.44
"4_aminoantipyrine","bmse000147",1,144.7673,1.72
"4_aminoantipyrine","bmse000147",2,135.763,1.74
"4_aminoantipyrine","bmse000147",3,132.3952,12.5
"4_aminoantipyrine","bmse000147",4,131.8174,5.85
"4_aminoantipyrine","bmse000147",5,129.3212,12.35
"4_aminoantipyrine","bmse000147",6,37.2322,4.81
"4_aminoantipyrine","bmse000147",7,11.7408,4.42
"acetylcarnitine","bmse000142",1,179.354,4.03
"acetylcarnitine","bmse000142",2,175.4615,4.06
"acetylcarnitine","bmse000142",3,70.835,4.53
"acetylcarnitine","bmse000142",4,69.5734,12.5
"acetylcarnitine","bmse000142",5,56.5103,12.2
"acetylcarnitine","bmse000142",6,42.9071,9.73
"acetylcarnitine","bmse000142",7,23.3168,9.11
"5_acetylamido_2_chloroaniline","bmse000143",1,139.2064,3.06
"5_acetylamido_2_chloroaniline","bmse000143",2,132.3826,12.5
"5_acetylamido_2_chloroaniline","bmse000143",3,116.2078,11.5
"5_acetylamido_2_chloroaniline","bmse000143",4,112.9825,11.85
"5_acetylamido_2_chloroaniline","bmse000143",5,25.522,8.76
"uracil","bmse000187",1,170.2202,1.35
"uracil","bmse000187",2,146.2032,10.52
"uracil","bmse000187",3,103.7407,12.5
"cytidine","bmse000190",1,168.8862,2.92
"cytidine","bmse000190",2,160.3399,2.39
"cytidine","bmse000190",3,144.3268,8.93
"cytidine","bmse000190",4,98.9421,9.02
"cytidine","bmse000190",5,92.9764,11.59
"cytidine","bmse000190",6,86.4726,11.93
"cytidine","bmse000190",7,76.6665,12.26
"cytidine","bmse000190",8,71.9801,12.5
"cytidine","bmse000190",9,63.4255,9.89
"propionic_acid","bmse000179",1,187.7472,2.27
"propionic_acid","bmse000179",2,33.4143,12.5
"propionic_acid","bmse000179",3,12.8911,11.53
"cytosine","bmse000180",1,170.1095,1.09
"cytosine","bmse000180",2,145.8461,10.28
"cytosine","bmse000180",3,97.8181,12.5
"3_hydroxybutyrate","bmse000161",1,183.1934,2.18
"3_hydroxybutyrate","bmse000161",2,68.3994,9.53
"3_hydroxybutyrate","bmse000161",3,49.2195,12.5
"3_hydroxybutyrate","bmse000161",4,24.4317,11.28
"sarcosine","bmse000160",1,174.1787,1.69
"sarcosine","bmse000160",2,53.5151,12.5
"sarcosine","bmse000160",3,35.3495,10.56
"beta_alanine","bmse000159",1,181.1398,1.61
"beta_alanine","bmse000159",2,39.2339,9.51
"beta_alanine","bmse000159",3,36.2855,12.5
"uridine","bmse000158",1,169.0394,2.54
"uridine","bmse000158",2,154.4569,2.08
"uridine","bmse000158",3,144.529,8.58
"uridine","bmse000158",4,104.9743,9.81
"uridine","bmse000158",5,92.0363,11.1
"uridine","bmse000158",6,86.9005,11.88
"uridine","bmse000158",7,76.3651,11.81
"uridine","bmse000158",8,72.0985,12.5
"uridine","bmse000158",9,63.4211,9.74
"N_acetyl_L_alanine","bmse000157",1,183.142,2.18
"N_acetyl_L_alanine","bmse000157",2,176.0277,2.41
"N_acetyl_L_alanine","bmse000157",3,53.6895,12.5
"N_acetyl_L_alanine","bmse000157",4,24.5618,8.98
"N_acetyl_L_alanine","bmse000157",5,20.0042,11.11
"trimethyl_phosphonoacetate","bmse000156",1,56.6257,8.02
"trimethyl_phosphonoacetate","bmse000156",2,56.5607,8.02
"trimethyl_phosphonoacetate","bmse000156",3,55.9903,12.5
"creatinine","bmse000155",1,191.713,2.26
"creatinine","bmse000155",2,59.1239,12.5
"creatinine","bmse000155",3,58.8527,2.53
"creatinine","bmse000155",4,58.6295,1.96
"creatinine","bmse000155",5,32.9001,9.73
"4_2_aminoethyl_morpholine","bmse000154",1,68.8872,12.21
"4_2_aminoethyl_morpholine","bmse000154",2,56.9694,6.45
"4_2_aminoethyl_morpholine","bmse000154",3,55.1945,12.5
"4_2_aminoethyl_morpholine","bmse000154",4,38.3707,5.31
"L_methionine_methylsulfonium_iodide","bmse000153",1,176.1278,2.46
"L_methionine_methylsulfonium_iodide","bmse000153",2,55.6328,12.37
"L_methionine_methylsulfonium_iodide","bmse000153",3,42.2714,10.53
"L_methionine_methylsulfonium_iodide","bmse000153",4,28.1127,10.06
"L_methionine_methylsulfonium_iodide","bmse000153",5,27.4753,11.87
"L_methionine_methylsulfonium_iodide","bmse000153",6,27.4428,12.5
"trigonelline","bmse000152",1,170.5429,1.63
"trigonelline","bmse000152",2,148.7294,3.53
"trigonelline","bmse000152",3,148.5432,3.12
"trigonelline","bmse000152",4,147.4509,9.81
"trigonelline","bmse000152",5,139.591,3.58
"trigonelline","bmse000152",6,130.3808,12.5
"trigonelline","bmse000152",7,50.9868,3.8
"L_kynurenine","bmse000172",1,202.7838,4.18
"L_kynurenine","bmse000172",2,176.9655,3.82
"L_kynurenine","bmse000172",3,153.0281,3.8
"L_kynurenine","bmse000172",4,138.3201,10.63
"L_kynurenine","bmse000172",5,134.0077,10.47
"L_kynurenine","bmse000172",6,120.7487,12.5
"L_kynurenine","bmse000172",7,120.1347,3.19
"L_kynurenine","bmse000172",8,119.5469,11.71
"L_kynurenine","bmse000172",9,53.4373,9.6
"L_kynurenine","bmse000172",10,53.3893,1.75
"L_kynurenine","bmse000172",11,41.6724,9.4
"4_hydroxyphenethyl_alcohol","bmse000173",1,156.5231,1.3
"4_hydroxyphenethyl_alcohol","bmse000173",2,133.6531,2.03
"4_hydroxyphenethyl_alcohol","bmse000173",3,133.0108,12.05
"4_hydroxyphenethyl_alcohol","bmse000173",4,118.0973,12.5
"4_hydroxyphenethyl_alcohol","bmse000173",5,65.4628,5.4
"4_hydroxyphenethyl_alcohol","bmse000173",6,39.6054,5.27
"L_glutathione_oxidized","bmse000170",1,179.0431,5.08
"L_glutathione_oxidized","bmse000170",2,177.7295,7.27
"L_glutathione_oxidized","bmse000170",3,176.8436,5.71
"L_glutathione_oxidized","bmse000170",4,174.576,7.14
"L_glutathione_oxidized","bmse000170",5,56.7983,12.5
"L_glutathione_oxidized","bmse000170",6,55.2962,6.93
"L_glutathione_oxidized","bmse000170",7,46.1769,10
"L_glutathione_oxidized","bmse000170",8,41.3939,5.3
"L_glutathione_oxidized","bmse000170",9,34.0976,8.71
"L_glutathione_oxidized","bmse000170",10,28.9834,9.22
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",1,137.9087,2.24
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",2,137.8673,2.37
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",3,131.376,12.5
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",4,131.3613,12.49
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",5,130.699,5.71
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",6,130.6797,5.71
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",7,130.3647,10.88
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",8,130.3201,11.19
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",9,58.3213,5.52
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",10,57.0571,5.41
"2_amino_5_ethyl_1_3_4_thiadiazole","bmse000176",1,168.4472,1.23
"2_amino_5_ethyl_1_3_4_thiadiazole","bmse000176",2,25.8692,12.5
"2_amino_5_ethyl_1_3_4_thiadiazole","bmse000176",3,15.8228,11.49
"indole_3_acetic_acid","bmse000177",1,184.4014,2.14
"indole_3_acetic_acid","bmse000177",2,138.8639,1.78
"indole_3_acetic_acid","bmse000177",3,129.8341,1.84
"indole_3_acetic_acid","bmse000177",4,126.7302,9.37
"indole_3_acetic_acid","bmse000177",5,124.4124,12.5
"indole_3_acetic_acid","bmse000177",6,121.7961,11.6
"indole_3_acetic_acid","bmse000177",7,121.3961,11.96
"indole_3_acetic_acid","bmse000177",8,114.4077,11.75
"indole_3_acetic_acid","bmse000177",9,113.0393,2.26
"indole_3_acetic_acid","bmse000177",10,36.6627,11.8
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",1,177.1121,2.86
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",2,175.8429,2.97
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",3,146.1205,4.91
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",4,142.1751,2.25
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",5,140.3992,5.19
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",6,135.1671,1.17
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",7,128.5755,12.5
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",8,122.2003,7.85
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",9,120.5307,8.5
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",10,26.0734,7.9
"inosine_5_monophosphate","bmse000175",1,161.425,3.75
"inosine_5_monophosphate","bmse000175",2,151.4802,4.81
"inosine_5_monophosphate","bmse000175",3,149.0993,9.26
"inosine_5_monophosphate","bmse000175",4,142.6513,8.28
"inosine_5_monophosphate","bmse000175",5,126.224,3.55
"inosine_5_monophosphate","bmse000175",6,90.0513,11.57
"inosine_5_monophosphate","bmse000175",7,87.5897,6.17
"inosine_5_monophosphate","bmse000175",8,87.5029,6.25
"inosine_5_monophosphate","bmse000175",9,77.4723,12.43
"inosine_5_monophosphate","bmse000175",10,73.3415,12.5
"inosine_5_monophosphate","bmse000175",11,66.1817,4.69
"inosine_5_monophosphate","bmse000175",12,66.1371,4.9
"acetylcholine","bmse000168",1,175.9351,1.7
"acetylcholine","bmse000168",2,67.2352,3.17
"acetylcholine","bmse000168",3,67.2022,3.69
"acetylcholine","bmse000168",4,67.1693,3.21
"acetylcholine","bmse000168",5,61.0489,9.91
"acetylcholine","bmse000168",6,56.5037,10.75
"acetylcholine","bmse000168",7,56.4653,12.5
"acetylcholine","bmse000168",8,56.4269,11.09
"acetylcholine","bmse000168",9,22.907,5.01
"L_selenomethionine","bmse000169",1,177.0007,2.6
"L_selenomethionine","bmse000169",2,57.4374,11.47
"L_selenomethionine","bmse000169",3,33.6291,11.68
"L_selenomethionine","bmse000169",4,21.9577,12.5
"L_selenomethionine","bmse000169",5,5.9908,6.84
"L_carnitine","bmse000211",1,180.7932,2.55
"L_carnitine","bmse000211",2,72.8484,3.55
"L_carnitine","bmse000211",3,72.8194,4.35
"L_carnitine","bmse000211",4,72.7905,3.77
"L_carnitine","bmse000211",5,66.787,9.83
"L_carnitine","bmse000211",6,56.8352,10.16
"L_carnitine","bmse000211",7,56.7971,12.5
"L_carnitine","bmse000211",8,56.7587,10.72
"L_carnitine","bmse000211",9,45.6836,6.68
"2_deoxyguanosine_5_triphosphate","bmse000210",1,161.5994,4.1
"2_deoxyguanosine_5_triphosphate","bmse000210",2,156.5483,6.62
"2_deoxyguanosine_5_triphosphate","bmse000210",3,153.9201,3.76
"2_deoxyguanosine_5_triphosphate","bmse000210",4,140.177,4.97
"2_deoxyguanosine_5_triphosphate","bmse000210",5,118.7094,3.56
"2_deoxyguanosine_5_triphosphate","bmse000210",6,88.3356,4.95
"2_deoxyguanosine_5_triphosphate","bmse000210",7,88.2497,5.03
"2_deoxyguanosine_5_triphosphate","bmse000210",8,86.1217,10.42
"2_deoxyguanosine_5_triphosphate","bmse000210",9,85.9663,1.24
"2_deoxyguanosine_5_triphosphate","bmse000210",10,73.5912,12.5
"2_deoxyguanosine_5_triphosphate","bmse000210",11,73.4257,1.36
"2_deoxyguanosine_5_triphosphate","bmse000210",12,68.0836,4.3
"2_deoxyguanosine_5_triphosphate","bmse000210",13,68.0298,4.01
"2_deoxyguanosine_5_triphosphate","bmse000210",14,60.1564,2.92
"2_deoxyguanosine_5_triphosphate","bmse000210",15,41.4696,9.7
"2_deoxyguanosine_5_triphosphate","bmse000210",16,19.5226,3.19
"L_glutathione_reduced","bmse000185",1,179.0844,3.34
"L_glutathione_reduced","bmse000185",2,177.7381,6.24
"L_glutathione_reduced","bmse000185",3,176.8762,4.09
"L_glutathione_reduced","bmse000185",4,174.517,4.49
"L_glutathione_reduced","bmse000185",5,58.485,9.28
"L_glutathione_reduced","bmse000185",6,56.8252,12.5
"L_glutathione_reduced","bmse000185",7,46.0594,11.98
"L_glutathione_reduced","bmse000185",8,34.0617,10.25
"L_glutathione_reduced","bmse000185",9,28.9279,10.05
"L_glutathione_reduced","bmse000185",10,28.2991,8.79
"L-ascorbate","bmse000182",1,180.3168,1.43
"L-ascorbate","bmse000182",2,178.4832,2.74
"L-ascorbate","bmse000182",3,115.802,1.21
"L-ascorbate","bmse000182",4,81.1004,12.5
"L-ascorbate","bmse000182",5,72.2534,11.82
"L-ascorbate","bmse000182",6,65.2522,10.99
"glycerol","bmse000184",1,74.7687,5.34
"glycerol","bmse000184",2,65.1855,12.5
"succinic_acid","bmse000183",1,185.1723,12.5
"diethyl_oxalacetate","bmse000148",1,175.4103,2.81
"diethyl_oxalacetate","bmse000148",2,174.3091,2.64
"diethyl_oxalacetate","bmse000148",3,173.4326,3.11
"diethyl_oxalacetate","bmse000148",4,168.1048,3.57
"diethyl_oxalacetate","bmse000148",5,163.0751,2.84
"diethyl_oxalacetate","bmse000148",6,107.9727,2.93
"diethyl_oxalacetate","bmse000148",7,66.4032,12.5
"diethyl_oxalacetate","bmse000148",8,64.8073,11.65
"diethyl_oxalacetate","bmse000148",9,63.2252,12.35
"diethyl_oxalacetate","bmse000148",10,60.1425,6.53
"diethyl_oxalacetate","bmse000148",11,19.5054,7.69
"diethyl_oxalacetate","bmse000148",12,16.4349,10.31
"diethyl_oxalacetate","bmse000148",13,16.0264,10.85
"diethyl_oxalacetate","bmse000148",14,15.8307,11.05
"diethyl_oxalacetate","bmse000148",15,8.3719,1.46
"methyl_4_aminobutyrate","bmse000249",1,178.332,2.3
"methyl_4_aminobutyrate","bmse000249",2,55.0318,9.91
"methyl_4_aminobutyrate","bmse000249",3,41.3931,9.31
"methyl_4_aminobutyrate","bmse000249",4,33.2371,12.5
"methyl_4_aminobutyrate","bmse000249",5,24.7364,10.01
"acetic_acid","bmse000191",1,25.9921,12.5
"DL_alpha_glycerol_phosphate","bmse000193",1,74.017,6.6
"DL_alpha_glycerol_phosphate","bmse000193",2,73.9509,6.61
"DL_alpha_glycerol_phosphate","bmse000193",3,67.5764,6.42
"DL_alpha_glycerol_phosphate","bmse000193",4,67.5279,6.33
"DL_alpha_glycerol_phosphate","bmse000193",5,64.9909,12.5
"L_arginine_L_glutamate","bmse000194",1,184.0271,2.62
"L_arginine_L_glutamate","bmse000194",2,177.3004,2.69
"L_arginine_L_glutamate","bmse000194",3,177.2486,3.51
"L_arginine_L_glutamate","bmse000194",4,159.5217,1.58
"L_arginine_L_glutamate","bmse000194",5,57.3276,11.34
"L_arginine_L_glutamate","bmse000194",6,56.9877,12.33
"L_arginine_L_glutamate","bmse000194",7,43.187,10.69
"L_arginine_L_glutamate","bmse000194",8,36.1773,12.5
"L_arginine_L_glutamate","bmse000194",9,30.2821,11.31
"L_arginine_L_glutamate","bmse000194",10,29.6813,11.66
"L_arginine_L_glutamate","bmse000194",11,26.565,9.36
"N_alpha_acetyl_DL_ornithine","bmse000195",1,181.278,2.84
"N_alpha_acetyl_DL_ornithine","bmse000195",2,176.3942,3.3
"N_alpha_acetyl_DL_ornithine","bmse000195",3,57.2647,12.5
"N_alpha_acetyl_DL_ornithine","bmse000195",4,41.7026,11.36
"N_alpha_acetyl_DL_ornithine","bmse000195",5,31.2562,11.58
"N_alpha_acetyl_DL_ornithine","bmse000195",6,26.1175,10.85
"N_alpha_acetyl_DL_ornithine","bmse000195",7,24.6039,9.43
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",1,177.1802,4.22
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",2,100.7816,12.14
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",3,74.3693,12.5
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",4,73.8173,11.87
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",5,72.6604,11.86
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",6,63.2442,9.78
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",7,57.84,10.7
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",8,56.3295,11.36
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",9,24.5939,9.03
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",1,177.4262,6.89
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",2,95.5064,6.59
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",3,95.4519,6.61
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",4,74.8112,12.48
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",5,74.1248,11.53
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",6,72.717,12.5
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",7,63.3991,10.48
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",8,60.1385,1.19
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",9,56.8941,6.31
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",10,56.82,5.92
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",11,24.8547,11.82
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",12,19.5064,1.35
"6_phosphogluconic_acid","bmse000198",1,181.6058,3.57
"6_phosphogluconic_acid","bmse000198",2,76.871,10.24
"6_phosphogluconic_acid","bmse000198",3,74.5728,12.34
"6_phosphogluconic_acid","bmse000198",4,73.5923,12.5
"6_phosphogluconic_acid","bmse000198",5,73.3427,6.13
"6_phosphogluconic_acid","bmse000198",6,73.2817,6
"6_phosphogluconic_acid","bmse000198",7,67.8378,5.3
"6_phosphogluconic_acid","bmse000198",8,67.7897,5.02
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",1,177.4856,7.09
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",2,169.018,6.26
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",3,154.5678,4.71
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",4,144.3458,8.41
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",5,105.3664,9.76
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",6,97.2217,5.52
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",7,97.1586,5.3
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",8,91.2324,10.4
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",9,85.9265,5.45
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",10,85.8356,5.37
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",11,76.5038,12.5
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",12,75.7265,10.47
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",13,73.618,9.4
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",14,72.3363,12.03
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",15,72.1894,10.68
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",16,67.7104,4.06
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",17,67.6547,4.21
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",18,63.011,8.29
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",19,56.4123,4.85
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",20,56.3279,4.86
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",21,24.8017,11.06
"D_glucosamine_6_phosphate","bmse000189",1,96.7641,3.96
"D_glucosamine_6_phosphate","bmse000189",2,92.5468,9.11
"D_glucosamine_6_phosphate","bmse000189",3,78.573,7.72
"D_glucosamine_6_phosphate","bmse000189",4,78.5029,8.09
"D_glucosamine_6_phosphate","bmse000189",5,75.3,3.82
"D_glucosamine_6_phosphate","bmse000189",6,74.241,8.9
"D_glucosamine_6_phosphate","bmse000189",7,74.1735,8.79
"D_glucosamine_6_phosphate","bmse000189",8,72.61,7.6
"D_glucosamine_6_phosphate","bmse000189",9,72.216,8.01
"D_glucosamine_6_phosphate","bmse000189",10,72.0861,11.81
"D_glucosamine_6_phosphate","bmse000189",11,65.6945,5.67
"D_glucosamine_6_phosphate","bmse000189",12,65.5318,8.2
"D_glucosamine_6_phosphate","bmse000189",13,59.9922,8.37
"D_glucosamine_6_phosphate","bmse000189",14,57.442,12.5
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",1,177.6459,3.99
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",2,177.3558,6.21
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",3,97.9785,9.64
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",4,93.8355,12.5
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",5,78.3788,4.55
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",6,78.3082,5
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",7,76.3335,8.77
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",8,74.1312,5.77
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",9,74.0636,5.71
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",10,73.273,9.62
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",11,72.5985,6.43
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",12,72.4066,4.3
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",13,65.8183,6.34
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",14,59.7314,6.92
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",15,57.09,11.32
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",16,25.09,7.17
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",17,24.8284,8.82
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",18,24.6366,2.13
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",19,8.3826,2.3
"formate","bmse000203",1,173.8915,12.5
"HEPES","bmse000202",1,60.8048,5.44
"HEPES","bmse000202",2,58.5772,7.51
"HEPES","bmse000202",3,54.5149,8.11
"HEPES","bmse000202",4,54.0844,12.5
"HEPES","bmse000202",5,52.383,11.07
"HEPES","bmse000202",6,50.0053,7.83
"D_citrulline","bmse000209",1,177.3935,5.6
"D_citrulline","bmse000209",2,164.2858,1.35
"D_citrulline","bmse000209",3,57.1942,10.87
"D_citrulline","bmse000209",4,41.9172,1.9
"D_citrulline","bmse000209",5,30.442,12.5
"D_citrulline","bmse000209",6,27.6603,6.22
"tryptamine","bmse000207",1,139.1467,1.96
"tryptamine","bmse000207",2,129.1548,2.05
"tryptamine","bmse000207",3,127.0515,9.42
"tryptamine","bmse000207",4,124.8771,12.23
"tryptamine","bmse000207",5,122.1292,11.7
"tryptamine","bmse000207",6,121.0332,11.62
"tryptamine","bmse000207",7,114.7782,11.66
"tryptamine","bmse000207",8,111.7871,2.5
"tryptamine","bmse000207",9,42.4461,10.28
"tryptamine","bmse000207",10,25.3872,12.5
"caffeine","bmse000206",1,158.3677,2.3
"caffeine","bmse000206",2,154.8444,2.1
"caffeine","bmse000206",3,150.6943,2.53
"caffeine","bmse000206",4,146.1726,12.5
"caffeine","bmse000206",5,109.992,1.93
"caffeine","bmse000206",6,36.1671,12
"caffeine","bmse000206",7,32.5176,11.72
"caffeine","bmse000206",8,30.6092,12.15
"DL_serine","bmse000222",1,175.1858,1.49
"DL_serine","bmse000222",2,62.8818,12.5
"DL_serine","bmse000222",3,59.0696,9.18
"kanamycin","bmse000201",1,103.0882,11.25
"kanamycin","bmse000201",2,99.3708,11.19
"kanamycin","bmse000201",3,87.4547,11.03
"kanamycin","bmse000201",4,82.3518,10.12
"kanamycin","bmse000201",5,76.1335,11.05
"kanamycin","bmse000201",6,75.2746,11.27
"kanamycin","bmse000201",7,74.8051,11.96
"kanamycin","bmse000201",8,73.8216,11.92
"kanamycin","bmse000201",9,73.7132,12.5
"kanamycin","bmse000201",10,71.3274,11.8
"kanamycin","bmse000201",11,71.2135,10.89
"kanamycin","bmse000201",12,68.4669,11.25
"kanamycin","bmse000201",13,62.5738,8.79
"kanamycin","bmse000201",14,57.6876,10.31
"kanamycin","bmse000201",15,52.8142,10.87
"kanamycin","bmse000201",16,50.8624,10.67
"kanamycin","bmse000201",17,43.1772,9.79
"kanamycin","bmse000201",18,32.4006,6.43
"D_galacturonic_acid","bmse000216",1,178.7328,1.92
"D_galacturonic_acid","bmse000216",2,177.8683,2.95
"D_galacturonic_acid","bmse000216",3,103.6266,1.14
"D_galacturonic_acid","bmse000216",4,98.6973,11.64
"D_galacturonic_acid","bmse000216",5,94.8821,8.1
"D_galacturonic_acid","bmse000216",6,86.1096,1.16
"D_galacturonic_acid","bmse000216",7,83.8927,1.25
"D_galacturonic_acid","bmse000216",8,78.2191,12.5
"D_galacturonic_acid","bmse000216",9,75.5921,12.15
"D_galacturonic_acid","bmse000216",10,74.2733,11.54
"D_galacturonic_acid","bmse000216",11,74.0687,8.3
"D_galacturonic_acid","bmse000216",12,73.5175,7.92
"D_galacturonic_acid","bmse000216",13,73.4128,1.2
"D_galacturonic_acid","bmse000216",14,73.0403,11.9
"D_galacturonic_acid","bmse000216",15,72.0425,8.11
"D_galacturonic_acid","bmse000216",16,70.7295,8.19
"melibiose","bmse000215",1,100.9074,4.94
"melibiose","bmse000215",2,100.8624,8.18
"melibiose","bmse000215",3,98.7735,7.77
"melibiose","bmse000215",4,94.8936,4.8
"melibiose","bmse000215",5,78.5818,7.92
"melibiose","bmse000215",6,77.0481,7.86
"melibiose","bmse000215",7,76.7432,7.91
"melibiose","bmse000215",8,75.641,4.51
"melibiose","bmse000215",9,74.115,4.66
"melibiose","bmse000215",10,73.6521,8.63
"melibiose","bmse000215",11,72.7897,4.38
"melibiose","bmse000215",12,72.2675,4.58
"melibiose","bmse000215",13,72.1681,11.13
"melibiose","bmse000215",14,72.1168,8.41
"melibiose","bmse000215",15,71.8969,12.5
"melibiose","bmse000215",16,71.1809,5.01
"melibiose","bmse000215",17,71.1499,8
"melibiose","bmse000215",18,68.5997,3.4
"melibiose","bmse000215",19,68.5048,5.74
"melibiose","bmse000215",20,63.7993,7.48
"raffinose","bmse000221",1,106.4984,12
"raffinose","bmse000221",2,101.1619,11.75
"raffinose","bmse000221",3,94.8107,10.5
"raffinose","bmse000221",4,84.0386,10.37
"raffinose","bmse000221",5,78.9908,10.66
"raffinose","bmse000221",6,76.6708,10.74
"raffinose","bmse000221",7,75.3481,10.62
"raffinose","bmse000221",8,74.0893,10.03
"raffinose","bmse000221",9,73.7298,10.76
"raffinose","bmse000221",10,73.6491,10.76
"raffinose","bmse000221",11,72.1375,11.45
"raffinose","bmse000221",12,72.0811,10.61
"raffinose","bmse000221",13,71.8977,12.5
"raffinose","bmse000221",14,71.1782,10.63
"raffinose","bmse000221",15,68.5609,7.4
"raffinose","bmse000221",16,65.174,9.27
"raffinose","bmse000221",17,64.0591,8.59
"raffinose","bmse000221",18,63.8064,10.78
"phenylacetic_acid","bmse000220",1,140.0132,1.48
"phenylacetic_acid","bmse000220",2,131.8678,12.4
"phenylacetic_acid","bmse000220",3,131.3739,12.5
"phenylacetic_acid","bmse000220",4,129.1624,7.27
"phenylacetic_acid","bmse000220",5,47.1763,7.68
"quinolinic_acid","bmse000219",1,151.0633,4.64
"quinolinic_acid","bmse000219",2,139.9295,12.5
"quinolinic_acid","bmse000219",3,134.2225,1.66
"quinolinic_acid","bmse000219",4,126.3609,1.43
"L_arabinose","bmse000213",1,99.4707,11.84
"L_arabinose","bmse000213",2,95.2773,6.36
"L_arabinose","bmse000213",3,85.6557,1.01
"L_arabinose","bmse000213",4,75.1558,12.46
"L_arabinose","bmse000213",5,74.5445,11.65
"L_arabinose","bmse000213",6,71.3975,5.23
"L_arabinose","bmse000213",7,71.291,6.33
"L_arabinose","bmse000213",8,71.19,12.5
"L_arabinose","bmse000213",9,71.1316,6.46
"L_arabinose","bmse000213",10,69.092,10.76
"L_arabinose","bmse000213",11,65.1629,5.63
"L_arabinose","bmse000213",12,63.7809,1.01
"maleic_acid","bmse000212",1,178.0156,12.5
"maleic_acid","bmse000212",2,138.0455,2.52
"trimethylamine","bmse000224",1,47.3627,12.5
"FAD","bmse000226",1,164.0687,6.03
"FAD","bmse000226",2,160.4644,6.44
"FAD","bmse000226",3,157.4008,5.27
"FAD","bmse000226",4,155.0401,6.79
"FAD","bmse000226",5,153.2024,6.31
"FAD","bmse000226",6,152.7018,4.88
"FAD","bmse000226",7,150.7506,8.42
"FAD","bmse000226",8,141.8033,9.25
"FAD","bmse000226",9,137.3022,7.38
"FAD","bmse000226",10,136.7199,6.9
"FAD","bmse000226",11,134.1126,5.24
"FAD","bmse000226",12,133.1145,6.31
"FAD","bmse000226",13,120.4006,4.97
"FAD","bmse000226",14,119.1392,5.98
"FAD","bmse000226",15,89.8286,8.42
"FAD","bmse000226",16,86.1706,4.9
"FAD","bmse000226",17,77.5902,9.53
"FAD","bmse000226",18,75.1902,7.63
"FAD","bmse000226",19,73.8874,4.74
"FAD","bmse000226",20,72.6742,9.77
"FAD","bmse000226",21,72.0204,7.14
"FAD","bmse000226",22,49.8304,4.6
"FAD","bmse000226",23,23.4503,12.23
"FAD","bmse000226",24,21.3064,12.5
"biotin","bmse000227",1,186.5202,3.08
"biotin","bmse000227",2,168.1155,1.31
"biotin","bmse000227",3,64.7083,11.47
"biotin","bmse000227",4,62.9655,10.94
"biotin","bmse000227",5,58.0656,12.5
"biotin","bmse000227",6,42.4481,10.02
"biotin","bmse000227",7,40.0331,11.31
"biotin","bmse000227",8,30.9897,10.73
"biotin","bmse000227",9,30.4007,10.87
"biotin","bmse000227",10,28.3888,11.03
"L_malic_acid","bmse000238",1,183.7653,2.22
"L_malic_acid","bmse000238",2,182.5621,2.11
"L_malic_acid","bmse000238",3,73.0565,11
"L_malic_acid","bmse000238",4,45.325,12.5
"DL_pipecolic_acid","bmse000237",1,177.3687,2.02
"DL_pipecolic_acid","bmse000237",2,61.7014,10.46
"DL_pipecolic_acid","bmse000237",3,46.3684,11.14
"DL_pipecolic_acid","bmse000237",4,29.2254,12.03
"DL_pipecolic_acid","bmse000237",5,24.5183,12.5
"DL_pipecolic_acid","bmse000237",6,24.2597,11.72
"alpha_naphthoic_acid","bmse000178",1,180.9525,1.22
"alpha_naphthoic_acid","bmse000178",2,140.3164,2.38
"alpha_naphthoic_acid","bmse000178",3,136.0023,3.43
"alpha_naphthoic_acid","bmse000178",4,131.8378,2.83
"alpha_naphthoic_acid","bmse000178",5,131.5775,11.93
"alpha_naphthoic_acid","bmse000178",6,130.9661,12.32
"alpha_naphthoic_acid","bmse000178",7,129.4469,11.78
"alpha_naphthoic_acid","bmse000178",8,128.9278,12.24
"alpha_naphthoic_acid","bmse000178",9,128.3008,11.2
"alpha_naphthoic_acid","bmse000178",10,128.1263,11.47
"alpha_naphthoic_acid","bmse000178",11,126.9179,12.5
"L_lactic_acid","bmse000208",1,185.2568,1.47
"L_lactic_acid","bmse000208",2,71.1986,10.31
"L_lactic_acid","bmse000208",3,22.7605,12.5
"thymidine","bmse000244",1,169.2606,1.96
"thymidine","bmse000244",2,154.4362,2.17
"thymidine","bmse000244",3,140.2111,10.41
"thymidine","bmse000244",4,114.1556,4.85
"thymidine","bmse000244",5,89.1962,12.5
"thymidine","bmse000244",6,87.7135,11.37
"thymidine","bmse000244",7,73.1301,12.1
"thymidine","bmse000244",8,63.8632,10.49
"thymidine","bmse000244",9,41.1957,10.46
"thymidine","bmse000244",10,14.2614,10.1
"citraconic_acid","bmse000199",1,182.5855,1.19
"citraconic_acid","bmse000199",2,177.0006,1.62
"citraconic_acid","bmse000199",3,150.7235,3.14
"citraconic_acid","bmse000199",4,122.9987,12.5
"citraconic_acid","bmse000199",5,23.083,10.26
"homogentisic_acid","bmse000200",1,183.4495,2.25
"homogentisic_acid","bmse000200",2,151.5798,3.49
"homogentisic_acid","bmse000200",3,150.3577,2.71
"homogentisic_acid","bmse000200",4,128.3103,4.07
"homogentisic_acid","bmse000200",5,120.3611,12.12
"homogentisic_acid","bmse000200",6,119.7948,12.5
"homogentisic_acid","bmse000200",7,117.1989,12.11
"homogentisic_acid","bmse000200",8,42.6626,11.69
"isonicotinic_acid","bmse000133",1,152.265,11.27
"isonicotinic_acid","bmse000133",2,143.3482,1.49
"isonicotinic_acid","bmse000133",3,124.3227,12.5
"homovanillic_acid","bmse000132",1,184.0342,2.31
"homovanillic_acid","bmse000132",2,149.9125,2.75
"homovanillic_acid","bmse000132",3,145.8277,2.64
"homovanillic_acid","bmse000132",4,132.7556,4.92
"homovanillic_acid","bmse000132",5,124.6363,12.01
"homovanillic_acid","bmse000132",6,118.1634,12.5
"homovanillic_acid","bmse000132",7,116.1596,11.86
"homovanillic_acid","bmse000132",8,58.5972,11.89
"homovanillic_acid","bmse000132",9,46.5865,11.75
"cyanuric_acid","bmse000135",1,158.7585,12.5
"ethacrynic_acid","bmse000134",1,202.3118,4.43
"ethacrynic_acid","bmse000134",2,177.9826,5
"ethacrynic_acid","bmse000134",3,158.7271,7.04
"ethacrynic_acid","bmse000134",4,152.4416,9.11
"ethacrynic_acid","bmse000134",5,134.6377,7.45
"ethacrynic_acid","bmse000134",6,134.3055,7.14
"ethacrynic_acid","bmse000134",7,133.1034,4.2
"ethacrynic_acid","bmse000134",8,130.6445,11.98
"ethacrynic_acid","bmse000134",9,124.6188,3.16
"ethacrynic_acid","bmse000134",10,113.5528,12.1
"ethacrynic_acid","bmse000134",11,70.3721,12.5
"ethacrynic_acid","bmse000134",12,25.8093,12.14
"ethacrynic_acid","bmse000134",13,14.5372,10.57
"itaconic_acid","bmse000137",1,183.4319,1.66
"itaconic_acid","bmse000137",2,144.4598,3.08
"itaconic_acid","bmse000137",3,124.7498,11.94
"itaconic_acid","bmse000137",4,44.7199,12.5
"amygdalin","bmse000139",1,135.1591,3.04
"amygdalin","bmse000139",2,133.2211,4.82
"amygdalin","bmse000139",3,132.0805,12.5
"amygdalin","bmse000139",4,130.5071,12.26
"amygdalin","bmse000139",5,121.2539,2.79
"amygdalin","bmse000139",6,105.5549,5
"amygdalin","bmse000139",7,104.1485,4.67
"amygdalin","bmse000139",8,78.6035,5.33
"amygdalin","bmse000139",9,78.2945,5.19
"amygdalin","bmse000139",10,78.182,4.9
"amygdalin","bmse000139",11,78.0819,4.95
"amygdalin","bmse000139",12,75.9,5.09
"amygdalin","bmse000139",13,75.4567,4.78
"amygdalin","bmse000139",14,72.369,5.36
"amygdalin","bmse000139",15,71.8621,4.67
"amygdalin","bmse000139",16,71.7644,5.77
"amygdalin","bmse000139",17,70.9831,3.34
"amygdalin","bmse000139",18,63.4233,3.79
"D_cellobiose","bmse000138",1,105.2663,8.21
"D_cellobiose","bmse000138",2,105.2381,5.61
"D_cellobiose","bmse000138",3,98.4528,7.32
"D_cellobiose","bmse000138",4,94.5197,4.61
"D_cellobiose","bmse000138",5,81.4215,4.68
"D_cellobiose","bmse000138",6,81.2838,7.67
"D_cellobiose","bmse000138",7,78.6932,12.12
"D_cellobiose","bmse000138",8,78.1874,12.5
"D_cellobiose","bmse000138",9,77.5013,7.76
"D_cellobiose","bmse000138",10,76.9856,7.78
"D_cellobiose","bmse000138",11,76.5907,7.38
"D_cellobiose","bmse000138",12,75.8703,9.08
"D_cellobiose","bmse000138",13,74.0348,4.8
"D_cellobiose","bmse000138",14,73.925,5.13
"D_cellobiose","bmse000138",15,72.8163,4.72
"D_cellobiose","bmse000138",16,72.1615,6.12
"D_cellobiose","bmse000138",17,72.1439,8.59
"D_cellobiose","bmse000138",18,63.2643,6.56
"D_cellobiose","bmse000138",19,62.74,5.36
"D_cellobiose","bmse000138",20,62.606,3.56
"gamma_D_galactonolactone","bmse000141",1,178.7234,2.86
"gamma_D_galactonolactone","bmse000141",2,82.7298,12.5
"gamma_D_galactonolactone","bmse000141",3,76.4007,12.48
"gamma_D_galactonolactone","bmse000141",4,75.5187,12.19
"gamma_D_galactonolactone","bmse000141",5,74.2346,3.63
"gamma_D_galactonolactone","bmse000141",6,74.0161,3.26
"gamma_D_galactonolactone","bmse000141",7,72.7812,3.45
"gamma_D_galactonolactone","bmse000141",8,72.4324,3.36
"gamma_D_galactonolactone","bmse000141",9,71.5773,12.34
"gamma_D_galactonolactone","bmse000141",10,66.0277,3.07
"gamma_D_galactonolactone","bmse000141",11,64.6899,11.19
"D_glucuronate","bmse000140",1,179.6525,1.52
"D_glucuronate","bmse000140",2,178.6724,2.78
"D_glucuronate","bmse000140",3,98.5755,11.73
"D_glucuronate","bmse000140",4,94.8123,7.69
"D_glucuronate","bmse000140",5,78.959,12.5
"D_glucuronate","bmse000140",6,78.2467,11.99
"D_glucuronate","bmse000140",7,76.6906,11.59
"D_glucuronate","bmse000140",8,75.2591,7.37
"D_glucuronate","bmse000140",9,74.8051,6.93
"D_glucuronate","bmse000140",10,74.5748,8
"D_glucuronate","bmse000140",11,74.5431,12.46
"D_glucuronate","bmse000140",12,73.9985,7.55
"L_gulonolactone","bmse000235",1,180.7006,2.42
"L_gulonolactone","bmse000235",2,84.0626,11.74
"L_gulonolactone","bmse000235",3,76.1965,2.96
"L_gulonolactone","bmse000235",4,75.331,3.02
"L_gulonolactone","bmse000235",5,74.9955,3.01
"L_gulonolactone","bmse000235",6,73.5223,12.5
"L_gulonolactone","bmse000235",7,73.1631,3.21
"L_gulonolactone","bmse000235",8,72.7983,12.19
"L_gulonolactone","bmse000235",9,72.2798,12.42
"L_gulonolactone","bmse000235",10,65.2205,2.74
"L_gulonolactone","bmse000235",11,64.1843,11.09
"glycogen","bmse000232",1,102.5103,8.96
"glycogen","bmse000232",2,79.5505,5.53
"glycogen","bmse000232",3,75.5834,9.32
"glycogen","bmse000232",4,74.2061,12.5
"glycogen","bmse000232",5,72.0454,4.53
"glycogen","bmse000232",6,63.2055,9.29
"melibiose","bmse000233",1,100.9084,5.19
"melibiose","bmse000233",2,100.8632,7.98
"melibiose","bmse000233",3,98.7735,7.66
"melibiose","bmse000233",4,94.8931,4.76
"melibiose","bmse000233",5,78.5818,7.97
"melibiose","bmse000233",6,77.0484,7.73
"melibiose","bmse000233",7,76.7428,7.76
"melibiose","bmse000233",8,75.6402,4.58
"melibiose","bmse000233",9,74.1149,4.63
"melibiose","bmse000233",10,73.6528,8.49
"melibiose","bmse000233",11,72.7893,4.29
"melibiose","bmse000233",12,72.267,4.52
"melibiose","bmse000233",13,72.1674,11.07
"melibiose","bmse000233",14,72.1167,8.55
"melibiose","bmse000233",15,71.8963,12.5
"melibiose","bmse000233",16,71.1803,5.19
"melibiose","bmse000233",17,71.1491,7.83
"melibiose","bmse000233",18,68.5995,3.44
"melibiose","bmse000233",19,68.5046,5.7
"melibiose","bmse000233",20,63.7983,7.42
"D_glucono_1_5_lactone","bmse000230",1,181.2312,2.98
"D_glucono_1_5_lactone","bmse000230",2,76.6877,12.5
"D_glucono_1_5_lactone","bmse000230",3,75.204,12.42
"D_glucono_1_5_lactone","bmse000230",4,73.8622,12.42
"D_glucono_1_5_lactone","bmse000230",5,73.6372,12.42
"D_glucono_1_5_lactone","bmse000230",6,65.3046,10.99
"N_acetyl_D_glucosamine","bmse000231",1,177.4899,2.8
"N_acetyl_D_glucosamine","bmse000231",2,177.2462,4.07
"N_acetyl_D_glucosamine","bmse000231",3,97.6343,8.26
"N_acetyl_D_glucosamine","bmse000231",4,93.5456,12.5
"N_acetyl_D_glucosamine","bmse000231",5,78.6606,9.02
"N_acetyl_D_glucosamine","bmse000231",6,76.5921,8.56
"N_acetyl_D_glucosamine","bmse000231",7,74.2719,12.4
"N_acetyl_D_glucosamine","bmse000231",8,73.3628,12.21
"N_acetyl_D_glucosamine","bmse000231",9,72.7507,12.34
"N_acetyl_D_glucosamine","bmse000231",10,72.5242,8.84
"N_acetyl_D_glucosamine","bmse000231",11,63.4249,7.22
"N_acetyl_D_glucosamine","bmse000231",12,63.2564,10.49
"N_acetyl_D_glucosamine","bmse000231",13,59.3824,8.25
"N_acetyl_D_glucosamine","bmse000231",14,56.8002,11.86
"N_acetyl_D_glucosamine","bmse000231",15,24.8865,6.38
"N_acetyl_D_glucosamine","bmse000231",16,24.609,9.19
"polygalacturonic_acid","bmse000228",1,178.1914,12.5
"polygalacturonic_acid","bmse000228",2,101.6522,9.97
"polygalacturonic_acid","bmse000228",3,80.5569,9.65
"polygalacturonic_acid","bmse000228",4,73.9772,8.45
"polygalacturonic_acid","bmse000228",5,71.4996,8.28
"polygalacturonic_acid","bmse000228",6,70.7598,8.29
"polygalacturonic_acid","bmse000228",7,26.4074,3.65
"D_saccharate","bmse000239",1,181.3679,2.13
"D_saccharate","bmse000239",2,181.237,1.95
"D_saccharate","bmse000239",3,76.4264,11.96
"D_saccharate","bmse000239",4,76.4165,12.5
"D_saccharate","bmse000239",5,76.2846,9.51
"D_saccharate","bmse000239",6,74.3621,9.95
"stachyose","bmse000240",1,106.5168,12.21
"stachyose","bmse000240",2,101.06,8.92
"stachyose","bmse000240",3,100.7169,10.76
"stachyose","bmse000240",4,94.8219,8.89
"stachyose","bmse000240",5,84.0524,9.16
"stachyose","bmse000240",6,78.9976,9.04
"stachyose","bmse000240",7,76.6795,9.2
"stachyose","bmse000240",8,75.4111,9
"stachyose","bmse000240",9,73.9757,8.23
"stachyose","bmse000240",10,73.7006,10.47
"stachyose","bmse000240",11,73.6476,9.63
"stachyose","bmse000240",12,72.1972,12.5
"stachyose","bmse000240",13,72.173,10.25
"stachyose","bmse000240",14,72.0684,10.06
"stachyose","bmse000240",15,72.0362,10.92
"stachyose","bmse000240",16,71.9303,12.49
"stachyose","bmse000240",17,71.5019,8.73
"stachyose","bmse000240",18,71.1393,9.07
"stachyose","bmse000240",19,70.9835,10.63
"stachyose","bmse000240",20,69.1734,6.48
"stachyose","bmse000240",21,68.5201,5.87
"stachyose","bmse000240",22,65.1886,8.65
"stachyose","bmse000240",23,64.0756,7.23
"stachyose","bmse000240",24,63.8499,10.36
"L_tartaric_acid","bmse000167",1,181.2992,12.5
"D_xylonate_cadmium","bmse000166",1,181.2863,3.14
"D_xylonate_cadmium","bmse000166",2,75.334,10.18
"D_xylonate_cadmium","bmse000166",3,75.0844,12.5
"D_xylonate_cadmium","bmse000166",4,65.059,9.59
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",1,177.4252,6.68
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",2,95.4941,6.42
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",3,95.4396,6.74
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",4,74.801,12.35
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",5,74.139,11.43
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",6,72.7232,12.5
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",7,63.4049,10.26
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",8,60.1376,1.31
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",9,56.8998,5.8
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",10,56.8264,6.12
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",11,24.8578,11.78
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",12,19.5062,1.22
"L_ornithine","bmse000162",1,177.052,2.52
"L_ornithine","bmse000162",2,56.8032,12.42
"L_ornithine","bmse000162",3,41.5581,10.67
"L_ornithine","bmse000162",4,30.183,12.5
"L_ornithine","bmse000162",5,25.4674,10.78
"D_alanine","bmse000236",1,178.5839,1.59
"D_alanine","bmse000236",2,53.2011,9.79
"D_alanine","bmse000236",3,18.8519,12.5
"4_nitrophenol","bmse000223",1,130.0111,12.5
"4_nitrophenol","bmse000223",2,129.9947,12.29
"4_nitrophenol","bmse000223",3,120.3011,8.51
"4_nitrophenol","bmse000223",4,120.2591,10.79
"D_L_glyceraldehyde","bmse000225",1,92.4597,11.03
"D_L_glyceraldehyde","bmse000225",2,76.7639,11.48
"D_L_glyceraldehyde","bmse000225",3,64.6759,12.5
"4_hydroxycinnamic_acid","bmse000150",1,178.908,1.38
"4_hydroxycinnamic_acid","bmse000150",2,159.818,1.85
"4_hydroxycinnamic_acid","bmse000150",3,143.5246,4.55
"4_hydroxycinnamic_acid","bmse000150",4,132.2994,11.74
"4_hydroxycinnamic_acid","bmse000150",5,130.1932,2.25
"4_hydroxycinnamic_acid","bmse000150",6,124.1229,4.91
"4_hydroxycinnamic_acid","bmse000150",7,118.5321,12.5
"alpha_D_galactose_1_phosphate","bmse000151",1,96.62,5.96
"alpha_D_galactose_1_phosphate","bmse000151",2,96.566,5.93
"alpha_D_galactose_1_phosphate","bmse000151",3,73.8281,11.4
"alpha_D_galactose_1_phosphate","bmse000151",4,72.304,10.42
"alpha_D_galactose_1_phosphate","bmse000151",5,72.1558,12.5
"alpha_D_galactose_1_phosphate","bmse000151",6,71.7402,5.87
"alpha_D_galactose_1_phosphate","bmse000151",7,71.6737,5.84
"alpha_D_galactose_1_phosphate","bmse000151",8,64.0705,10.09
"dAMP","bmse000250",1,155.0627,3.71
"dAMP","bmse000250",2,142.9366,3.42
"dAMP","bmse000250",3,90.1821,11.54
"dAMP","bmse000250",4,87.3797,7.1
"dAMP","bmse000250",5,74.0139,10.26
"dAMP","bmse000250",6,64.4148,12.5
"dAMP","bmse000250",7,41.7694,7.82
"Oxalosuccinate","bmse000251",1,184.1371,2.15
"Oxalosuccinate","bmse000251",2,172.7664,1.95
"Oxalosuccinate","bmse000251",3,52.8383,1.48
"Oxalosuccinate","bmse000251",4,38.5758,5.93
"Oxalosuccinate","bmse000251",5,38.454,1.48
"Oxalosuccinate","bmse000251",6,38.2644,1.54
"Oxalosuccinate","bmse000251",7,38.0683,1.39
"Oxalosuccinate","bmse000251",8,36.9355,3.83
"Oxalosuccinate","bmse000251",9,35.3007,1.19
"Oxalosuccinate","bmse000251",10,34.9692,1.16
"Oxalosuccinate","bmse000251",11,33.3147,5.48
"Oxalosuccinate","bmse000251",12,33.2611,6.95
"Oxalosuccinate","bmse000251",13,33.2048,12.5
"Oxalosuccinate","bmse000251",14,25.9719,1.99
"Salicylate","bmse000252",1,178.336,1.8
"Salicylate","bmse000252",2,162.3095,1.9
"Salicylate","bmse000252",3,136.7054,12.5
"Salicylate","bmse000252",4,133.2002,11.8
"Salicylate","bmse000252",5,122.0978,11.69
"Salicylate","bmse000252",6,120.713,2.32
"Salicylate","bmse000252",7,119.007,12.31
"dADP","bmse000253",1,158.1421,4.9
"dADP","bmse000253",2,155.3005,9.18
"dADP","bmse000253",3,151.2181,2.23
"dADP","bmse000253",4,142.6258,3.6
"dADP","bmse000253",5,121.1832,1.88
"dADP","bmse000253",6,88.4189,5.03
"dADP","bmse000253",7,88.3329,5.02
"dADP","bmse000253",8,86.1412,10.03
"dADP","bmse000253",9,73.3197,12.5
"dADP","bmse000253",10,67.3652,4.1
"dADP","bmse000253",11,67.3129,3.98
"dADP","bmse000253",12,41.5514,9.81
"D_Fructose_1_phosphate","bmse000254",1,100.8301,3.74
"D_Fructose_1_phosphate","bmse000254",2,100.7578,3.97
"D_Fructose_1_phosphate","bmse000254",3,83.1443,1.21
"D_Fructose_1_phosphate","bmse000254",4,78.79,1.8
"D_Fructose_1_phosphate","bmse000254",5,76.8304,1.21
"D_Fructose_1_phosphate","bmse000254",6,72.0493,12.5
"D_Fructose_1_phosphate","bmse000254",7,71.8351,11.69
"D_Fructose_1_phosphate","bmse000254",8,70.5098,12.35
"D_Fructose_1_phosphate","bmse000254",9,68.9967,5.19
"D_Fructose_1_phosphate","bmse000254",10,68.9492,5.25
"D_Fructose_1_phosphate","bmse000254",11,66.0887,9.73
"D_Fructose_1_phosphate","bmse000254",12,64.969,2.12
"D_Fructose_1_phosphate","bmse000254",13,64.1264,1.29
"ITP","bmse000255",1,161.4399,4.25
"ITP","bmse000255",2,151.5943,2.62
"ITP","bmse000255",3,149.0201,9.65
"ITP","bmse000255",4,142.5226,5.74
"ITP","bmse000255",5,126.3562,2.24
"ITP","bmse000255",6,90.276,1.56
"ITP","bmse000255",7,89.9312,10.81
"ITP","bmse000255",8,86.8306,5.65
"ITP","bmse000255",9,86.7415,5.81
"ITP","bmse000255",10,77.2254,2.18
"ITP","bmse000255",11,77.1273,12.5
"ITP","bmse000255",12,72.8596,11.68
"ITP","bmse000255",13,72.5243,2.14
"ITP","bmse000255",14,67.7479,4.35
"ITP","bmse000255",15,67.695,4.23
"Formaldehyde","bmse000256",1,84.4358,12.5
"FMN","bmse000257",1,163.2526,6.78
"FMN","bmse000257",2,160.3175,7.33
"FMN","bmse000257",3,153.429,6.6
"FMN","bmse000257",4,152.3129,4.11
"FMN","bmse000257",5,142.1584,7.18
"FMN","bmse000257",6,136.6282,6.86
"FMN","bmse000257",7,136.1877,6.82
"FMN","bmse000257",8,134.1083,4
"FMN","bmse000257",9,132.8224,4.98
"FMN","bmse000257",10,119.7064,4.78
"FMN","bmse000257",11,75.2209,6.14
"FMN","bmse000257",12,74.4868,3.9
"FMN","bmse000257",13,74.4237,3.92
"FMN","bmse000257",14,72.0087,6.36
"FMN","bmse000257",15,67.8012,3.52
"FMN","bmse000257",16,50.1474,2.93
"FMN","bmse000257",17,23.466,11.62
"FMN","bmse000257",18,21.3437,12.5
"Glycolaldehyde","bmse000258",1,92.374,9.81
"Glycolaldehyde","bmse000258",2,67.1623,12.5
"4_Hydroxybenzaldehyde","bmse000259",1,197.0798,3.76
"4_Hydroxybenzaldehyde","bmse000259",2,136.1538,9.71
"4_Hydroxybenzaldehyde","bmse000259",3,129.545,1.03
"4_Hydroxybenzaldehyde","bmse000259",4,119.8609,12.5
"Nicotinamide_D_ribonucleotide","bmse000260",1,175.8236,3.35
"Nicotinamide_D_ribonucleotide","bmse000260",2,141.0654,10.52
"Nicotinamide_D_ribonucleotide","bmse000260",3,127.6138,9.12
"Nicotinamide_D_ribonucleotide","bmse000260",4,108.182,10.66
"Nicotinamide_D_ribonucleotide","bmse000260",5,103.4044,6.52
"Nicotinamide_D_ribonucleotide","bmse000260",6,103.1839,1.61
"Nicotinamide_D_ribonucleotide","bmse000260",7,97.6396,11.48
"Nicotinamide_D_ribonucleotide","bmse000260",8,85.9422,6.34
"Nicotinamide_D_ribonucleotide","bmse000260",9,85.8555,6.04
"Nicotinamide_D_ribonucleotide","bmse000260",10,80.4925,1.81
"Nicotinamide_D_ribonucleotide","bmse000260",11,74.2063,1.79
"Nicotinamide_D_ribonucleotide","bmse000260",12,73.4952,12.5
"Nicotinamide_D_ribonucleotide","bmse000260",13,73.3372,12.21
"Nicotinamide_D_ribonucleotide","bmse000260",14,66.7617,5.06
"Nicotinamide_D_ribonucleotide","bmse000260",15,66.7167,4.78
"Nicotinamide_D_ribonucleotide","bmse000260",16,24.6964,9.6
"Acetyl_phosphate","bmse000261",1,175.0096,3.44
"Acetyl_phosphate","bmse000261",2,25.9801,10.24
"Acetyl_phosphate","bmse000261",3,24.7883,12.5
"Acetyl_phosphate","bmse000261",4,24.7425,11.1
"3_4_Hydroxyphenyl_pyruvate","bmse000262",1,157.3242,1.3
"3_4_Hydroxyphenyl_pyruvate","bmse000262",2,133.865,7.91
"3_4_Hydroxyphenyl_pyruvate","bmse000262",3,118.3826,12.5
"3_4_Hydroxyphenyl_pyruvate","bmse000262",4,117.7478,1.45
"NADP","bmse000263",1,167.8496,4.47
"NADP","bmse000263",2,158.1147,5.39
"NADP","bmse000263",3,155.428,9.01
"NADP","bmse000263",4,151.6757,5.76
"NADP","bmse000263",5,148.3745,7.75
"NADP","bmse000263",6,145.0167,6.29
"NADP","bmse000263",7,142.8886,8.29
"NADP","bmse000263",8,142.5477,5.92
"NADP","bmse000263",9,136.304,8.28
"NADP","bmse000263",10,131.3453,8.51
"NADP","bmse000263",11,121.1612,3.82
"NADP","bmse000263",12,102.729,11.11
"NADP","bmse000263",13,89.8221,5.86
"NADP","bmse000263",14,89.7336,5.64
"NADP","bmse000263",15,89.2538,5.26
"NADP","bmse000263",16,89.1719,5.28
"NADP","bmse000263",17,85.7472,5.48
"NADP","bmse000263",18,85.6577,5.52
"NADP","bmse000263",19,80.3221,12.5
"NADP","bmse000263",20,78.7636,5.55
"NADP","bmse000263",21,78.722,5.71
"NADP","bmse000263",22,73.3731,12.23
"NADP","bmse000263",23,72.7335,7.06
"NADP","bmse000263",24,68.2193,4.11
"NADP","bmse000263",25,67.6754,4.43
"NADP","bmse000263",26,57.0544,1.98
"4_Nitrophenyl_phosphate","bmse000264",1,163.0405,1.08
"4_Nitrophenyl_phosphate","bmse000264",2,144.5179,1.04
"4_Nitrophenyl_phosphate","bmse000264",3,128.4131,12.5
"4_Nitrophenyl_phosphate","bmse000264",4,122.6671,7.06
"4_Nitrophenyl_phosphate","bmse000264",5,122.6148,7.04
"4_Nitrocatechol","bmse000265",1,164.1278,1.69
"4_Nitrocatechol","bmse000265",2,148.5107,2.32
"4_Nitrocatechol","bmse000265",3,138.4594,1.3
"4_Nitrocatechol","bmse000265",4,122.9045,11.12
"4_Nitrocatechol","bmse000265",5,118.6529,12.08
"4_Nitrocatechol","bmse000265",6,112.45,12.5
"UDP","bmse000266",1,169.0888,5
"UDP","bmse000266",2,154.545,3.74
"UDP","bmse000266",3,144.5243,8.52
"UDP","bmse000266",4,105.234,10.35
"UDP","bmse000266",5,91.4445,11.2
"UDP","bmse000266",6,85.9024,5.62
"UDP","bmse000266",7,85.8136,5.66
"UDP","bmse000266",8,76.5959,12.5
"UDP","bmse000266",9,71.8259,11.92
"UDP","bmse000266",10,66.8315,4.4
"UDP","bmse000266",11,66.7792,4.54
"Formamide","bmse000267",1,169.4492,12.5
"R_Lactate","bmse000269",1,185.265,2.92
"R_Lactate","bmse000269",2,71.1978,10.49
"R_Lactate","bmse000269",3,22.7641,12.5
"GDP","bmse000270",1,161.6068,4.89
"GDP","bmse000270",2,156.6326,5.27
"GDP","bmse000270",3,154.1538,4.67
"GDP","bmse000270",4,140.2801,1.14
"GDP","bmse000270",5,140.1096,6.84
"GDP","bmse000270",6,118.7579,3.69
"GDP","bmse000270",7,89.8065,11.14
"GDP","bmse000270",8,86.2198,5.66
"GDP","bmse000270",9,86.132,5.77
"GDP","bmse000270",10,76.7534,12.5
"GDP","bmse000270",11,72.5131,12.28
"GDP","bmse000270",12,67.1729,4.45
"GDP","bmse000270",13,67.1215,4.26
"CoA","bmse000271",1,177.6817,2.7
"CoA","bmse000271",2,177.4294,8.2
"CoA","bmse000271",3,176.8233,2.08
"CoA","bmse000271",4,176.7106,6.6
"CoA","bmse000271",5,158.389,5.21
"CoA","bmse000271",6,155.6654,8.04
"CoA","bmse000271",7,155.5753,5.97
"CoA","bmse000271",8,152.1398,5.55
"CoA","bmse000271",9,152.0219,2.76
"CoA","bmse000271",10,142.9347,4.88
"CoA","bmse000271",11,142.6212,6.68
"CoA","bmse000271",12,121.3186,3.76
"CoA","bmse000271",13,89.3885,6.08
"CoA","bmse000271",14,89.1901,9.09
"CoA","bmse000271",15,87.3585,1.54
"CoA","bmse000271",16,87.3087,1.85
"CoA","bmse000271",17,87.2237,1.74
"CoA","bmse000271",18,86.8498,2.3
"CoA","bmse000271",19,86.7595,2.57
"CoA","bmse000271",20,85.3884,1.1
"CoA","bmse000271",21,79.6453,1.28
"CoA","bmse000271",22,79.1396,1.19
"CoA","bmse000271",23,78.2226,1.22
"CoA","bmse000271",24,77.5422,4.25
"CoA","bmse000271",25,77.2177,3.82
"CoA","bmse000271",26,77.1851,3.69
"CoA","bmse000271",27,76.9949,5.4
"CoA","bmse000271",28,76.9604,4.74
"CoA","bmse000271",29,76.7805,9.52
"CoA","bmse000271",30,76.4673,4.19
"CoA","bmse000271",31,76.4236,8.22
"CoA","bmse000271",32,76.3796,5.46
"CoA","bmse000271",33,74.5542,4.24
"CoA","bmse000271",34,74.4922,3.65
"CoA","bmse000271",35,73.328,2.2
"CoA","bmse000271",36,73.2765,1.86
"CoA","bmse000271",37,68.4744,3.83
"CoA","bmse000271",38,68.4222,3.88
"CoA","bmse000271",39,66.6691,2.47
"CoA","bmse000271",40,66.6238,2.86
"CoA","bmse000271",41,45.0428,4.93
"CoA","bmse000271",42,44.9976,11.76
"CoA","bmse000271",43,44.9048,1.18
"CoA","bmse000271",44,41.1259,2.81
"CoA","bmse000271",45,41.0359,6.14
"CoA","bmse000271",46,40.9558,6.01
"CoA","bmse000271",47,40.7593,1.76
"CoA","bmse000271",48,39.1263,1.74
"CoA","bmse000271",49,38.2973,1.72
"CoA","bmse000271",50,38.1621,9.87
"CoA","bmse000271",51,38.0817,9.25
"CoA","bmse000271",52,25.7997,12.5
"CoA","bmse000271",53,24.0869,1.45
"CoA","bmse000271",54,23.9984,3.96
"CoA","bmse000271",55,23.5128,8.93
"CoA","bmse000271",56,22.6789,1.36
"CoA","bmse000271",57,20.9419,3.81
"CoA","bmse000271",58,20.7819,9.63
"CoA","bmse000271",59,20.1012,1.78
"CDP","bmse000272",1,168.8761,4.9
"CDP","bmse000272",2,160.4002,4.39
"CDP","bmse000272",3,144.5698,1.09
"CDP","bmse000272",4,144.266,8.55
"CDP","bmse000272",5,99.3648,1.46
"CDP","bmse000272",6,99.2242,9.38
"CDP","bmse000272",7,92.2295,11.24
"CDP","bmse000272",8,91.8456,1.72
"CDP","bmse000272",9,85.3396,5.74
"CDP","bmse000272",10,85.2502,5.69
"CDP","bmse000272",11,77.0076,12.5
"CDP","bmse000272",12,72.3706,1.47
"CDP","bmse000272",13,71.4858,12.07
"CDP","bmse000272",14,66.6366,4.51
"CDP","bmse000272",15,66.5841,4.41
"D_Aspartate","bmse000273",1,180.3052,2.2
"D_Aspartate","bmse000273",2,177.0122,1.98
"D_Aspartate","bmse000273",3,54.9072,9.91
"D_Aspartate","bmse000273",4,39.2644,12.5
"Thiamin","bmse000274",1,171.726,5.58
"Thiamin","bmse000274",2,164.5163,3.11
"Thiamin","bmse000274",3,159.8969,10.99
"Thiamin","bmse000274",4,145.552,3.59
"Thiamin","bmse000274",5,138.7379,4.97
"Thiamin","bmse000274",6,107.1899,6.29
"Thiamin","bmse000274",7,63.1255,12.5
"Thiamin","bmse000274",8,53.7574,10.69
"Thiamin","bmse000274",9,31.9248,12.41
"Thiamin","bmse000274",10,26.7632,11.25
"Thiamin","bmse000274",11,13.8517,12.02
"D_Fructose_2_6_bisphosphate","bmse000275",1,106.8714,4.79
"D_Fructose_2_6_bisphosphate","bmse000275",2,106.8017,4.74
"D_Fructose_2_6_bisphosphate","bmse000275",3,82.9825,6.41
"D_Fructose_2_6_bisphosphate","bmse000275",4,82.912,6.28
"D_Fructose_2_6_bisphosphate","bmse000275",5,80.0513,6.58
"D_Fructose_2_6_bisphosphate","bmse000275",6,80.0052,6.39
"D_Fructose_2_6_bisphosphate","bmse000275",7,78.0543,12.5
"D_Fructose_2_6_bisphosphate","bmse000275",8,68.3553,5.53
"D_Fructose_2_6_bisphosphate","bmse000275",9,68.3079,5.71
"D_Fructose_2_6_bisphosphate","bmse000275",10,65.2002,7.1
"D_Fructose_2_6_bisphosphate","bmse000275",11,60.1397,1.11
"D_Fructose_2_6_bisphosphate","bmse000275",12,19.51,1.19
"Ethanolamine","bmse000276",1,60.3171,12.5
"Ethanolamine","bmse000276",2,43.9507,8.05
"CTP","bmse000277",1,168.8983,5.15
"CTP","bmse000277",2,160.5208,4.42
"CTP","bmse000277",3,144.2311,8.6
"CTP","bmse000277",4,99.3524,9.52
"CTP","bmse000277",5,91.8085,11.04
"CTP","bmse000277",6,85.501,5.68
"CTP","bmse000277",7,85.4107,5.57
"CTP","bmse000277",8,77.0203,1.35
"CTP","bmse000277",9,76.8989,12.5
"CTP","bmse000277",10,71.7933,11.89
"CTP","bmse000277",11,71.4631,1.06
"CTP","bmse000277",12,67.272,4.2
"CTP","bmse000277",13,67.2177,4.39
"D_Ribulose_5_phosphate","bmse000278",1,103.8241,7.82
"D_Ribulose_5_phosphate","bmse000278",2,98.9771,2.24
"D_Ribulose_5_phosphate","bmse000278",3,85.3023,1.6
"D_Ribulose_5_phosphate","bmse000278",4,84.6704,3.81
"D_Ribulose_5_phosphate","bmse000278",5,84.5875,4.13
"D_Ribulose_5_phosphate","bmse000278",6,78.03,9.99
"D_Ribulose_5_phosphate","bmse000278",7,73.4112,12.5
"D_Ribulose_5_phosphate","bmse000278",8,72.931,3.83
"D_Ribulose_5_phosphate","bmse000278",9,67.3547,5.39
"D_Ribulose_5_phosphate","bmse000278",10,67.3093,5.5
"D_Ribulose_5_phosphate","bmse000278",11,66.4813,2.3
"Urocanate","bmse000279",1,178.6198,2.5
"Urocanate","bmse000279",2,140.3626,11.29
"Urocanate","bmse000279",3,137.0776,2.14
"Urocanate","bmse000279",4,133.668,10.36
"Urocanate","bmse000279",5,124.4849,12.5
"Urocanate","bmse000279",6,123.9802,8.38
"UMP","bmse000280",1,169.0839,4.57
"UMP","bmse000280",2,154.6578,3.41
"UMP","bmse000280",3,144.8275,8.54
"UMP","bmse000280",4,105.3924,10.43
"UMP","bmse000280",5,91.006,11.31
"UMP","bmse000280",6,86.9204,5.97
"UMP","bmse000280",7,86.8326,6.05
"UMP","bmse000280",8,76.6643,12.5
"UMP","bmse000280",9,72.7729,12.16
"UMP","bmse000280",10,65.9126,4.79
"UMP","bmse000280",11,65.8681,4.9
"Nicotinamide","bmse000281",1,154.5266,12.5
"Nicotinamide","bmse000281",2,150.344,11.49
"Nicotinamide","bmse000281",3,139.1539,11.48
"Nicotinamide","bmse000281",4,131.9398,1.76
"Nicotinamide","bmse000281",5,126.9235,10.76
"DL_Alanine","bmse000282",1,178.5738,1.77
"DL_Alanine","bmse000282",2,53.2017,9.6
"DL_Alanine","bmse000282",3,18.85,12.5
"Orotate","bmse000283",1,104.064,12.5
"Benzonitrile","bmse000284",1,136.2019,8.6
"Benzonitrile","bmse000284",2,135.1116,12.5
"Benzonitrile","bmse000284",3,131.8912,12.48
"Choline","bmse000285",1,70.1479,3.39
"Choline","bmse000285",2,70.1177,3.59
"Choline","bmse000285",3,70.0875,3.34
"Choline","bmse000285",4,58.3089,8.06
"Choline","bmse000285",5,56.621,11.8
"Choline","bmse000285",6,56.5813,12.5
"Choline","bmse000285",7,56.542,12.01
"Acetophenone","bmse000286",1,136.8469,7.17
"Acetophenone","bmse000286",2,131.5104,12.5
"Acetophenone","bmse000286",3,131.2516,11.84
"Acetophenone","bmse000286",4,28.9711,3.47
"Pantothenate","bmse000287",1,183.0208,3.24
"Pantothenate","bmse000287",2,177.6531,4.02
"Pantothenate","bmse000287",3,78.4586,12.5
"Pantothenate","bmse000287",4,71.0985,10.81
"Pantothenate","bmse000287",5,41.2778,8.26
"Pantothenate","bmse000287",6,39.3779,10.45
"Pantothenate","bmse000287",7,38.8533,9.94
"Pantothenate","bmse000287",8,23.2349,9.96
"Pantothenate","bmse000287",9,21.8424,10.1
"Pyridoxine","bmse000288",1,163.4259,2.28
"Pyridoxine","bmse000288",2,146.9983,3.52
"Pyridoxine","bmse000288",3,141.4468,3.78
"Pyridoxine","bmse000288",4,138.1842,4.52
"Pyridoxine","bmse000288",5,127.4073,3.84
"Pyridoxine","bmse000288",6,61.4656,12.5
"Pyridoxine","bmse000288",7,58.6687,10.33
"Pyridoxine","bmse000288",8,18.2013,8.23
"S_Adenosyl_L_homocysteine","bmse000289",1,176.8876,4.61
"S_Adenosyl_L_homocysteine","bmse000289",2,158.3878,3.44
"S_Adenosyl_L_homocysteine","bmse000289",3,155.6615,9.39
"S_Adenosyl_L_homocysteine","bmse000289",4,151.6956,3.2
"S_Adenosyl_L_homocysteine","bmse000289",5,142.814,7.91
"S_Adenosyl_L_homocysteine","bmse000289",6,121.5644,2.04
"S_Adenosyl_L_homocysteine","bmse000289",7,90.125,10.63
"S_Adenosyl_L_homocysteine","bmse000289",8,90.0104,2.04
"S_Adenosyl_L_homocysteine","bmse000289",9,86.1029,11.9
"S_Adenosyl_L_homocysteine","bmse000289",10,75.9715,11.38
"S_Adenosyl_L_homocysteine","bmse000289",11,75.0004,12.5
"S_Adenosyl_L_homocysteine","bmse000289",12,56.4364,10.43
"S_Adenosyl_L_homocysteine","bmse000289",13,36.2065,8.4
"S_Adenosyl_L_homocysteine","bmse000289",14,33.1203,8.91
"S_Adenosyl_L_homocysteine","bmse000289",15,30.4627,9.14
"Phenol","bmse000290",1,132.703,11.87
"Phenol","bmse000290",2,123.3534,6.56
"Phenol","bmse000290",3,118.0886,12.5
"Selenomethionine","bmse000291",1,176.8764,2.7
"Selenomethionine","bmse000291",2,57.3265,11.71
"Selenomethionine","bmse000291",3,33.5106,11.73
"Selenomethionine","bmse000291",4,21.8408,12.5
"Selenomethionine","bmse000291",5,5.875,6.96
"UDPglucuronate","bmse000292",1,179.1513,4.63
"UDPglucuronate","bmse000292",2,169.0242,5.14
"UDPglucuronate","bmse000292",3,154.6097,3.93
"UDPglucuronate","bmse000292",4,144.2873,8.42
"UDPglucuronate","bmse000292",5,105.4108,10.1
"UDPglucuronate","bmse000292",6,98.1166,5.83
"UDPglucuronate","bmse000292",7,98.0506,5.78
"UDPglucuronate","bmse000292",8,91.0126,10.69
"UDPglucuronate","bmse000292",9,86.0368,5.52
"UDPglucuronate","bmse000292",10,85.9455,5.68
"UDPglucuronate","bmse000292",11,76.498,12.5
"UDPglucuronate","bmse000292",12,75.7603,10.99
"UDPglucuronate","bmse000292",13,75.2986,10.18
"UDPglucuronate","bmse000292",14,74.5675,11.19
"UDPglucuronate","bmse000292",15,74.1227,5.66
"UDPglucuronate","bmse000292",16,74.0395,5.54
"UDPglucuronate","bmse000292",17,72.367,11.96
"UDPglucuronate","bmse000292",18,67.7081,4.35
"UDPglucuronate","bmse000292",19,67.6532,4.54
"UDPglucuronate","bmse000292",20,60.142,1.01
"UDPglucuronate","bmse000292",21,19.5053,1.3
"Hydroquinone","bmse000293",1,151.6552,1.09
"Hydroquinone","bmse000293",2,119.0705,12.5
"Methanol","bmse000294",1,51.571,12.5
"Methanol","bmse000294",2,8.3835,1.29
"UTP","bmse000295",1,169.0527,4.84
"UTP","bmse000295",2,154.6305,3.56
"UTP","bmse000295",3,144.4685,8.62
"UTP","bmse000295",4,105.3558,9.9
"UTP","bmse000295",5,90.9803,10.91
"UTP","bmse000295",6,86.0794,5.45
"UTP","bmse000295",7,85.9897,5.66
"UTP","bmse000295",8,76.4645,12.5
"UTP","bmse000295",9,72.1667,11.59
"UTP","bmse000295",10,67.5196,4.26
"UTP","bmse000295",11,67.4644,4.32
"UTP","bmse000295",12,60.1427,1.1
"dTMP","bmse000296",1,169.2356,1.23
"dTMP","bmse000296",2,160.5265,1.29
"dTMP","bmse000296",3,154.4333,1.31
"dTMP","bmse000296",4,140.1216,3.35
"dTMP","bmse000296",5,114.2982,2.37
"dTMP","bmse000296",6,88.3382,2.04
"dTMP","bmse000296",7,88.2519,1.87
"dTMP","bmse000296",8,87.8416,3.66
"dTMP","bmse000296",9,73.7576,4.03
"dTMP","bmse000296",10,69.7071,3.43
"dTMP","bmse000296",11,69.6331,3.39
"dTMP","bmse000296",12,68.674,6.88
"dTMP","bmse000296",13,67.0077,1.54
"dTMP","bmse000296",14,66.9519,1.6
"dTMP","bmse000296",15,57.1741,5.62
"dTMP","bmse000296",16,50.7174,6.42
"dTMP","bmse000296",17,47.4494,6.5
"dTMP","bmse000296",18,41.3959,3.4
"dTMP","bmse000296",19,35.6124,12.5
"dTMP","bmse000296",20,27.378,11.97
"dTMP","bmse000296",21,27.3297,7.39
"dTMP","bmse000296",22,14.3887,4.03
"Ethanol","bmse000297",1,60.1347,10.57
"Ethanol","bmse000297",2,19.4922,12.5
"D_Glyceraldehyde","bmse000298",1,92.4619,11.47
"D_Glyceraldehyde","bmse000298",2,76.7643,11.97
"D_Glyceraldehyde","bmse000298",3,67.5383,2.02
"D_Glyceraldehyde","bmse000298",4,64.6757,12.5
"Folate","bmse000299",1,185.1947,10.02
"Folate","bmse000299",2,182.1813,8.33
"Folate","bmse000299",3,171.6618,6.23
"Folate","bmse000299",4,167.4706,1.1
"Folate","bmse000299",5,156.8561,3.58
"Folate","bmse000299",6,154.9662,1.2
"Folate","bmse000299",7,152.4534,5.63
"Folate","bmse000299",8,150.9644,2.57
"Folate","bmse000299",9,150.4027,4.37
"Folate","bmse000299",10,131.6987,1.03
"Folate","bmse000299",11,131.3015,7.38
"Folate","bmse000299",12,129.0129,4.84
"Folate","bmse000299",13,123.0856,5.17
"Folate","bmse000299",14,113.9108,6.41
"Folate","bmse000299",15,58.6333,8.76
"Folate","bmse000299",16,47.4239,2.98
"Folate","bmse000299",17,37.0651,12.5
"Folate","bmse000299",18,31.1742,7.87
"Benzoate","bmse000300",1,138.9121,1.04
"Benzoate","bmse000300",2,133.9731,7.03
"Benzoate","bmse000300",3,131.4957,12.46
"Benzoate","bmse000300",4,131.0181,12.5
"1_3_diaminopropane","bmse000001",1,39.3182,12.5
"1_3_diaminopropane","bmse000001",2,27.6038,6.62
"2_3_diphospho_D_glyceric_acid","bmse000002",1,180.6244,6.14
"2_3_diphospho_D_glyceric_acid","bmse000002",2,77.8926,9.81
"2_3_diphospho_D_glyceric_acid","bmse000002",3,77.8397,8.95
"2_3_diphospho_D_glyceric_acid","bmse000002",4,77.8017,8.58
"2_3_diphospho_D_glyceric_acid","bmse000002",5,77.7593,8.04
"2_3_diphospho_D_glyceric_acid","bmse000002",6,69.2089,12.5
"2_deoxyguanosine","bmse000003",1,140.4376,7.32
"2_deoxyguanosine","bmse000003",2,89.8652,7.61
"2_deoxyguanosine","bmse000003",3,86.6745,9.57
"2_deoxyguanosine","bmse000003",4,73.9059,12.5
"2_deoxyguanosine","bmse000003",5,64.3305,8.45
"2_deoxyguanosine","bmse000003",6,41.3976,8.86
"adenine","bmse000060",1,153.1875,0.8
"adenine","bmse000060",2,151.829,1.02
"adenine","bmse000060",3,147.5748,11.47
"adenine","bmse000060",4,146.3944,12.5
"adenine","bmse000060",5,118.324,0.66
"adenosine","bmse000061",1,155.2065,8.59
"adenosine","bmse000061",2,151.091,3.13
"adenosine","bmse000061",3,143.2708,6.58
"adenosine","bmse000061",4,91.0332,10.74
"adenosine","bmse000061",5,88.5401,11.36
"adenosine","bmse000061",6,76.3929,12.5
"adenosine","bmse000061",7,73.3525,11.01
"adenosine","bmse000061",8,64.2162,10.03
"adenosine","bmse000061",9,133.0864,1.07
"adonitol","bmse000062",1,74.8925,6.76
"adonitol","bmse000062",2,74.8008,11.44
"adonitol","bmse000062",3,65.0705,12.5
"ADP","bmse000004",1,158.1533,6.68
"ADP","bmse000004",2,155.4207,12.01
"ADP","bmse000004",3,151.6456,1.97
"ADP","bmse000004",4,151.5495,1.81
"ADP","bmse000004",5,142.8127,2.95
"ADP","bmse000004",6,142.5832,3.64
"ADP","bmse000004",7,121.1747,1.72
"ADP","bmse000004",8,89.778,10.17
"ADP","bmse000004",9,89.5551,6.01
"ADP","bmse000004",10,87.4621,3.15
"ADP","bmse000004",11,87.3746,3.43
"ADP","bmse000004",12,86.4858,4.81
"ADP","bmse000004",13,86.3979,5.28
"ADP","bmse000004",14,77.2288,6.53
"ADP","bmse000004",15,77.0622,12.5
"ADP","bmse000004",16,73.4056,6.43
"ADP","bmse000004",17,72.6057,12.04
"ADP","bmse000004",18,67.1794,3.82
"ADP","bmse000004",19,67.1297,3.91
"ADP","bmse000004",20,66.2518,2.61
"ADP","bmse000004",21,66.2091,2.71
"agmatine","bmse000063",1,159.5178,1.15
"agmatine","bmse000063",2,43.1542,9.26
"agmatine","bmse000063",3,41.7324,8.53
"agmatine","bmse000063",4,27.7024,11.07
"agmatine","bmse000063",5,26.715,12.5
"D_allose","bmse000008",1,96.1036,10.7
"D_allose","bmse000008",2,95.5286,1.55
"D_allose","bmse000008",3,76.2932,11.82
"D_allose","bmse000008",4,74.3841,1.58
"D_allose","bmse000008",5,73.9304,11.03
"D_allose","bmse000008",6,73.8513,12.02
"D_allose","bmse000008",7,69.7109,1.21
"D_allose","bmse000008",8,69.5516,1.22
"D_allose","bmse000008",9,69.4757,12.5
"D_allose","bmse000008",10,68.7507,2.03
"D_allose","bmse000008",11,63.8517,10.79
"D_allose","bmse000008",12,63.3663,1.24
"D_fructose","bmse000010",1,100.7878,2.8
"D_fructose","bmse000010",2,83.3844,4
"D_fructose","bmse000010",3,78.7409,1.35
"D_fructose","bmse000010",4,78.0833,3.23
"D_fructose","bmse000010",5,77.1431,3.97
"D_fructose","bmse000010",6,72.3808,12.5
"D_fructose","bmse000010",7,71.9017,10.92
"D_fructose","bmse000010",8,70.2559,10.72
"D_fructose","bmse000010",9,66.587,11.06
"D_fructose","bmse000010",10,66.0735,12.1
"D_fructose","bmse000010",11,65.3682,3.85
"D_fructose","bmse000010",12,65.074,4.07
"D_galactose","bmse000013",1,99.1714,10.5
"D_galactose","bmse000013",2,94.9986,5.59
"D_galactose","bmse000013",3,77.8681,12.5
"D_galactose","bmse000013",4,75.5121,11.36
"D_galactose","bmse000013",5,74.5893,11.5
"D_galactose","bmse000013",6,73.1956,6.08
"D_galactose","bmse000013",7,72.0185,5.93
"D_galactose","bmse000013",8,71.879,5.94
"D_galactose","bmse000013",9,71.4595,12.5
"D_galactose","bmse000013",10,71.0589,5.22
"D_galactose","bmse000013",11,63.8951,5.64
"D_galactose","bmse000013",12,63.6909,11.96
"D_glucose","bmse000015",1,98.6177,12.18
"D_glucose","bmse000015",2,94.8017,7.46
"D_glucose","bmse000015",3,78.6602,12.5
"D_glucose","bmse000015",4,78.46,12.38
"D_glucose","bmse000015",5,76.8429,11.94
"D_glucose","bmse000015",6,75.4621,6.95
"D_glucose","bmse000015",7,74.1868,7.96
"D_glucose","bmse000015",8,74.1521,7.85
"D_glucose","bmse000015",9,72.3476,7.59
"D_glucose","bmse000015",10,72.3041,12.25
"D_glucose","bmse000015",11,63.4496,11.55
"D_glucose","bmse000015",12,63.2877,6.43
"D_mannose","bmse000018",1,96.747,10.66
"D_mannose","bmse000018",2,96.3827,5.27
"D_mannose","bmse000018",3,78.8753,4.9
"D_mannose","bmse000018",4,75.7486,5.48
"D_mannose","bmse000018",5,75.1093,11.15
"D_mannose","bmse000018",6,73.9252,5.51
"D_mannose","bmse000018",7,73.3921,10.59
"D_mannose","bmse000018",8,72.9329,10.68
"D_mannose","bmse000018",9,69.5495,10.82
"D_mannose","bmse000018",10,69.3058,5.88
"D_mannose","bmse000018",11,63.666,12.5
"D_psicose","bmse000020",1,105.9793,2.62
"D_psicose","bmse000020",2,101.1482,2.31
"D_psicose","bmse000020",3,85.4184,12.5
"D_psicose","bmse000020",4,77.3405,2.67
"D_psicose","bmse000020",5,74.437,5.54
"D_psicose","bmse000020",6,73.7152,3.61
"D_psicose","bmse000020",7,73.0555,10.59
"D_psicose","bmse000020",8,73.0326,11.16
"D_psicose","bmse000020",9,72.9119,5.49
"D_psicose","bmse000020",10,71.7174,6.08
"D_psicose","bmse000020",11,68.562,7.08
"D_psicose","bmse000020",12,68.1859,7.9
"D_psicose","bmse000020",13,67.7838,6.98
"D_psicose","bmse000020",14,66.8844,6.45
"D_psicose","bmse000020",15,66.6778,4.36
"D_psicose","bmse000020",16,65.9583,9.93
"D_psicose","bmse000020",17,65.7568,6.2
"D_psicose","bmse000020",18,65.5148,3.26
"D_psicose","bmse000020",19,65.0727,3.8
"D_psicose","bmse000020",20,64.029,7.13
"D_psicose","bmse000020",21,60.6736,5.34
"D_sorbose","bmse000022",1,100.4423,2.8
"D_sorbose","bmse000022",2,76.5308,8.63
"D_sorbose","bmse000022",3,73.0506,8.72
"D_sorbose","bmse000022",4,72.1197,12.5
"D_sorbose","bmse000022",5,66.1492,9.88
"D_sorbose","bmse000022",6,64.4696,11
"D_tagatose","bmse000023",1,100.9098,3.49
"D_tagatose","bmse000023",2,73.6229,12.5
"D_tagatose","bmse000023",3,72.484,10.38
"D_tagatose","bmse000023",4,71.9743,2.2
"D_tagatose","bmse000023",5,69.0595,10.53
"D_tagatose","bmse000023",6,66.5918,10.06
"D_tagatose","bmse000023",7,66.403,1.92
"D_tagatose","bmse000023",8,66.1917,1.73
"D_tagatose","bmse000023",9,64.9495,7.98
"D_tagatose","bmse000023",10,62.8345,1.69
"D_xylose","bmse000026",1,99.3304,11.78
"D_xylose","bmse000026",2,94.9405,6.48
"D_xylose","bmse000026",3,78.526,10.11
"D_xylose","bmse000026",4,76.7418,12.5
"D_xylose","bmse000026",5,75.5229,5.77
"D_xylose","bmse000026",6,74.1661,6.42
"D_xylose","bmse000026",7,72.1118,6.54
"D_xylose","bmse000026",8,71.9378,12.28
"D_xylose","bmse000026",9,67.899,10.25
"D_xylose","bmse000026",10,63.6456,5.21
"alpha_ketoglutaric_acid","bmse000064",1,184.1528,2.07
"alpha_ketoglutaric_acid","bmse000064",2,38.5723,12.5
"alpha_ketoglutaric_acid","bmse000064",3,33.3219,9.83
"alpha_lactose","bmse000065",1,105.6382,8.25
"alpha_lactose","bmse000065",2,98.4725,7.33
"alpha_lactose","bmse000065",3,94.539,4.05
"alpha_lactose","bmse000065",4,81.1636,3.89
"alpha_lactose","bmse000065",5,81.0377,6.84
"alpha_lactose","bmse000065",6,78.0734,12.5
"alpha_lactose","bmse000065",7,77.522,7.34
"alpha_lactose","bmse000065",8,77.0808,7.32
"alpha_lactose","bmse000065",9,76.5296,7.28
"alpha_lactose","bmse000065",10,75.2407,11.24
"alpha_lactose","bmse000065",11,74.1286,4.28
"alpha_lactose","bmse000065",12,73.8715,4.75
"alpha_lactose","bmse000065",13,73.6835,9.31
"alpha_lactose","bmse000065",14,72.8271,3.84
"alpha_lactose","bmse000065",15,71.272,8.2
"alpha_lactose","bmse000065",16,63.7524,7.27
"alpha_lactose","bmse000065",17,62.8108,4.95
"alpha_lactose","bmse000065",18,62.6765,3.11
"4_aminobenzoic_acid","bmse000066",1,133.5667,12.5
"4_aminobenzoic_acid","bmse000066",2,128.9442,1.1
"4_aminobenzoic_acid","bmse000066",3,117.8119,11.36
"AMP","bmse000005",1,158.1415,3.52
"AMP","bmse000005",2,155.4083,9.41
"AMP","bmse000005",3,151.6344,4.45
"AMP","bmse000005",4,142.8031,7.78
"AMP","bmse000005",5,121.1486,2.72
"AMP","bmse000005",6,89.5563,11.53
"AMP","bmse000005",7,87.4594,6.04
"AMP","bmse000005",8,87.3722,6.06
"AMP","bmse000005",9,77.2299,12.5
"AMP","bmse000005",10,73.4036,12.24
"AMP","bmse000005",11,66.25,4.83
"AMP","bmse000005",12,66.2055,5.13
"anthranilic_acid","bmse000067",1,150.2702,2.1
"anthranilic_acid","bmse000067",2,134.7227,10.28
"anthranilic_acid","bmse000067",3,133.6538,12.5
"anthranilic_acid","bmse000067",4,123.4956,1.99
"anthranilic_acid","bmse000067",5,120.6937,11.1
"anthranilic_acid","bmse000067",6,120.3926,11.42
"L_arabitol","bmse000068",1,73.609,12.5
"L_arabitol","bmse000068",2,73.1399,11.93
"L_arabitol","bmse000068",3,72.9514,12.49
"L_arabitol","bmse000068",4,65.7296,10.81
"L_arabitol","bmse000068",5,65.6383,9.86
"ATP","bmse000006",1,158.2621,4.05
"ATP","bmse000006",2,155.4997,9.32
"ATP","bmse000006",3,151.7848,3.62
"ATP","bmse000006",4,142.6155,7.12
"ATP","bmse000006",5,121.2616,2.51
"ATP","bmse000006",6,89.3634,10.94
"ATP","bmse000006",7,86.7432,5.75
"ATP","bmse000006",8,86.6543,5.65
"ATP","bmse000006",9,76.9481,12.5
"ATP","bmse000006",10,72.9427,11.75
"ATP","bmse000006",11,67.8017,4.32
"ATP","bmse000006",12,67.7473,4.42
"betaine","bmse000069",1,171.9654,1.21
"betaine","bmse000069",2,68.893,3.07
"betaine","bmse000069",3,68.8587,3.29
"betaine","bmse000069",4,68.8297,3.27
"betaine","bmse000069",5,56.0898,10.14
"betaine","bmse000069",6,56.0509,12.5
"betaine","bmse000069",7,56.0118,10.21
"betaine_aldehyde","bmse000070",1,87.5694,9.74
"betaine_aldehyde","bmse000070",2,56.9587,10.45
"betaine_aldehyde","bmse000070",3,56.9195,12.5
"betaine_aldehyde","bmse000070",4,56.8886,11.17
"cadaverine","bmse000072",1,41.871,11.66
"cadaverine","bmse000072",2,28.9617,12.5
"cadaverine","bmse000072",3,25.3762,5.64
"cAMP","bmse000071",1,158.0318,4.3
"cAMP","bmse000071",2,155.524,10.63
"cAMP","bmse000071",3,150.7719,4.62
"cAMP","bmse000071",4,142.3466,9.68
"cAMP","bmse000071",5,121.2041,3.29
"cAMP","bmse000071",6,94.2109,12.5
"cAMP","bmse000071",7,80.0206,6.2
"cAMP","bmse000071",8,79.9754,6.98
"cAMP","bmse000071",9,75.0214,7.05
"cAMP","bmse000071",10,74.9418,7.25
"cAMP","bmse000071",11,74.463,6.46
"cAMP","bmse000071",12,70.0836,5.58
"cAMP","bmse000071",13,70.0142,5.05
"L_canavanine","bmse000073",1,177.0117,3.9
"L_canavanine","bmse000073",2,161.2671,2
"L_canavanine","bmse000073",3,74.5403,11.99
"L_canavanine","bmse000073",4,55.2855,12.02
"L_canavanine","bmse000073",5,31.809,12.5
"D_carnitine","bmse000074",1,180.7779,2.25
"D_carnitine","bmse000074",2,72.8193,4.47
"D_carnitine","bmse000074",3,72.7942,3.83
"D_carnitine","bmse000074",4,66.791,9.37
"D_carnitine","bmse000074",5,56.8328,10.48
"D_carnitine","bmse000074",6,56.7941,12.5
"D_carnitine","bmse000074",7,56.7554,10.44
"D_carnitine","bmse000074",8,45.6802,6.79
"chorismic_acid","bmse000075",1,155.9825,4.51
"chorismic_acid","bmse000075",2,137.1007,3.63
"chorismic_acid","bmse000075",3,132.6303,11.7
"chorismic_acid","bmse000075",4,131.7674,9.54
"chorismic_acid","bmse000075",5,126.7891,9.9
"chorismic_acid","bmse000075",6,95.5643,8.84
"chorismic_acid","bmse000075",7,82.3153,12.5
"chorismic_acid","bmse000075",8,72.8256,12.45
"citrate","bmse000076",1,184.7215,1.13
"citrate","bmse000076",2,182.0353,2.11
"citrate","bmse000076",3,77.9249,1.44
"citrate","bmse000076",4,48.4023,12.5
"coumarin","bmse000077",1,163.4646,0.72
"coumarin","bmse000077",2,156.7265,1.12
"coumarin","bmse000077",3,146.1206,6.54
"coumarin","bmse000077",4,134.5133,12.5
"coumarin","bmse000077",5,130.5441,8.87
"coumarin","bmse000077",6,127.1083,11.93
"coumarin","bmse000077",7,121.5098,1.08
"coumarin","bmse000077",8,119.5804,6.82
"coumarin","bmse000077",9,119.3784,7.14
"creatine","bmse000078",1,177.3494,1.87
"creatine","bmse000078",2,56.549,12.5
"creatine","bmse000078",3,39.6249,7.16
"creatine_phosphate","bmse000079",1,177.5977,1.69
"creatine_phosphate","bmse000079",2,56.5658,12.5
"creatine_phosphate","bmse000079",3,39.5149,7.02
"dehydro_proline","bmse000080",1,174.9837,1.15
"dehydro_proline","bmse000080",2,128.3998,11.9
"dehydro_proline","bmse000080",3,128.1163,10.28
"dehydro_proline","bmse000080",4,71.129,8.12
"dehydro_proline","bmse000080",5,55.1054,12.5
"D_3_phosphoglyceric_acid","bmse000007",1,181.5589,4.18
"D_3_phosphoglyceric_acid","bmse000007",2,75.6758,11.64
"D_3_phosphoglyceric_acid","bmse000007",3,75.5997,9.71
"D_3_phosphoglyceric_acid","bmse000007",4,69.5144,10.45
"D_3_phosphoglyceric_acid","bmse000007",5,69.4639,12.5
"D_fructose_1_6_bisphosphate","bmse000011",1,107.7441,1.24
"D_fructose_1_6_bisphosphate","bmse000011",2,107.6859,1.45
"D_fructose_1_6_bisphosphate","bmse000011",3,103.7998,2.79
"D_fructose_1_6_bisphosphate","bmse000011",4,103.7169,2.58
"D_fructose_1_6_bisphosphate","bmse000011",5,84.7524,1.84
"D_fructose_1_6_bisphosphate","bmse000011",6,84.6734,1.8
"D_fructose_1_6_bisphosphate","bmse000011",7,84.1618,3.88
"D_fructose_1_6_bisphosphate","bmse000011",8,82.4331,4.33
"D_fructose_1_6_bisphosphate","bmse000011",9,82.3517,4.54
"D_fructose_1_6_bisphosphate","bmse000011",10,79.436,3.58
"D_fructose_1_6_bisphosphate","bmse000011",11,78.4857,12.5
"D_fructose_1_6_bisphosphate","bmse000011",12,76.8309,8.44
"D_fructose_1_6_bisphosphate","bmse000011",13,68.3534,4.96
"D_fructose_1_6_bisphosphate","bmse000011",14,67.3714,1.78
"D_fructose_1_6_bisphosphate","bmse000011",15,67.0519,6.07
"D_fructose_1_6_bisphosphate","bmse000011",16,67.0078,5.96
"D_fructose_1_6_bisphosphate","bmse000011",17,66.9036,2.2
"D_fructose_1_6_bisphosphate","bmse000011",18,66.8591,2.2
"D_fructose_6_phosphate","bmse000012",1,107.1352,1.18
"D_fructose_6_phosphate","bmse000012",2,104.1799,5.96
"D_fructose_6_phosphate","bmse000012",3,84.4579,2.69
"D_fructose_6_phosphate","bmse000012",4,83.1582,1.38
"D_fructose_6_phosphate","bmse000012",5,83.081,1.12
"D_fructose_6_phosphate","bmse000012",6,82.6592,6.1
"D_fructose_6_phosphate","bmse000012",7,82.5783,5.8
"D_fructose_6_phosphate","bmse000012",8,78.536,2.85
"D_fructose_6_phosphate","bmse000012",9,77.8697,12.5
"D_fructose_6_phosphate","bmse000012",10,77.0604,11.73
"D_fructose_6_phosphate","bmse000012",11,67.0498,5.65
"D_fructose_6_phosphate","bmse000012",12,67.0041,5.36
"D_fructose_6_phosphate","bmse000012",13,66.1661,1.42
"D_fructose_6_phosphate","bmse000012",14,65.5593,2.38
"D_fructose_6_phosphate","bmse000012",15,65.331,9.82
"D_glucosamine","bmse000014",1,96.4205,8.72
"D_glucosamine","bmse000014",2,92.2506,9.77
"D_glucosamine","bmse000014",3,78.8513,9.64
"D_glucosamine","bmse000014",4,75.5831,6.35
"D_glucosamine","bmse000014",5,74.3295,12.27
"D_glucosamine","bmse000014",6,72.756,10.13
"D_glucosamine","bmse000014",7,72.4003,6.63
"D_glucosamine","bmse000014",8,72.3164,12.5
"D_glucosamine","bmse000014",9,63.2588,6.09
"D_glucosamine","bmse000014",10,63.0618,8.38
"D_glucosamine","bmse000014",11,59.6201,8.02
"D_glucosamine","bmse000014",12,57.0959,11.82
"D_glucose_6_phosphate","bmse000016",1,98.7788,8.55
"D_glucose_6_phosphate","bmse000016",2,94.9276,4.89
"D_glucose_6_phosphate","bmse000016",3,78.1764,4.82
"D_glucose_6_phosphate","bmse000016",4,78.106,3.56
"D_glucose_6_phosphate","bmse000016",5,77.9455,6.69
"D_glucose_6_phosphate","bmse000016",6,76.9831,9.41
"D_glucose_6_phosphate","bmse000016",7,75.0341,3.92
"D_glucose_6_phosphate","bmse000016",8,74.314,4.27
"D_glucose_6_phosphate","bmse000016",9,73.8171,2.12
"D_glucose_6_phosphate","bmse000016",10,73.7484,2.83
"D_glucose_6_phosphate","bmse000016",11,71.7635,12.5
"D_glucose_6_phosphate","bmse000016",12,65.5737,3.84
"D_glucose_6_phosphate","bmse000016",13,65.5308,3.24
"D_glucose_6_phosphate","bmse000016",14,65.4799,2.31
"D_maltose","bmse000017",1,102.3099,6.16
"D_maltose","bmse000017",2,102.2275,9.38
"D_maltose","bmse000017",3,98.4704,10.34
"D_maltose","bmse000017",4,94.5912,6.33
"D_maltose","bmse000017",5,79.5285,5.17
"D_maltose","bmse000017",6,79.3217,8.47
"D_maltose","bmse000017",7,78.9276,9.15
"D_maltose","bmse000017",8,77.2648,10.83
"D_maltose","bmse000017",9,76.7045,8.61
"D_maltose","bmse000017",10,75.9471,5.48
"D_maltose","bmse000017",11,75.5584,7.84
"D_maltose","bmse000017",12,75.5345,10.55
"D_maltose","bmse000017",13,75.3859,9.92
"D_maltose","bmse000017",14,74.4492,5.89
"D_maltose","bmse000017",15,74.3558,8.17
"D_maltose","bmse000017",16,73.9924,5.77
"D_maltose","bmse000017",17,72.6486,6.16
"D_maltose","bmse000017",18,72.0198,8.44
"D_maltose","bmse000017",19,63.4361,6.09
"D_maltose","bmse000017",20,63.2871,4.41
"D_maltose","bmse000017",21,63.1596,12.5
"D_ornithine","bmse000019",1,56.8208,12.5
"D_ornithine","bmse000019",2,41.5722,10.12
"D_ornithine","bmse000019",3,30.1825,12.11
"D_ornithine","bmse000019",4,25.4604,8.77
"D_threo_isocitric_acid","bmse000025",1,183.683,6.79
"D_threo_isocitric_acid","bmse000025",2,182.958,3.11
"D_threo_isocitric_acid","bmse000025",3,76.3916,11.16
"D_threo_isocitric_acid","bmse000025",4,51.8047,12.5
"D_threo_isocitric_acid","bmse000025",5,40.3285,10.98
"D_xylulose","bmse000027",1,108.4502,1.01
"D_xylulose","bmse000027",2,105.6511,3.08
"D_xylulose","bmse000027",3,83.18,3.1
"D_xylulose","bmse000027",4,78.9065,11.61
"D_xylulose","bmse000027",5,78.5426,3.96
"D_xylulose","bmse000027",6,78.011,2.93
"D_xylulose","bmse000027",7,77.5565,9.89
"D_xylulose","bmse000027",8,74.6749,2.45
"D_xylulose","bmse000027",9,74.6163,2.47
"D_xylulose","bmse000027",10,72.5201,10.76
"D_xylulose","bmse000027",11,68.7345,3.03
"D_xylulose","bmse000027",12,65.6799,12.5
"D_xylulose","bmse000027",13,65.1062,3.07
"D_xylulose","bmse000027",14,64.5556,3.06
"fumaric_acid","bmse000083",1,177.424,1.91
"fumaric_acid","bmse000083",2,138.042,12.5
"gluconic_acid","bmse000084",1,181.3386,1.89
"gluconic_acid","bmse000084",2,76.7743,10.33
"gluconic_acid","bmse000084",3,75.2613,9.8
"gluconic_acid","bmse000084",4,73.8705,12.36
"gluconic_acid","bmse000084",5,73.6525,10.2
"gluconic_acid","bmse000084",6,65.308,12.5
"alpha_D_glucose_1_phosphate","bmse000086",1,96.3867,5.99
"alpha_D_glucose_1_phosphate","bmse000086",2,96.3335,6.2
"alpha_D_glucose_1_phosphate","bmse000086",3,75.8391,10.34
"alpha_D_glucose_1_phosphate","bmse000086",4,74.9392,5.94
"alpha_D_glucose_1_phosphate","bmse000086",5,74.871,6.51
"alpha_D_glucose_1_phosphate","bmse000086",6,74.7037,12.5
"alpha_D_glucose_1_phosphate","bmse000086",7,72.4482,11.49
"alpha_D_glucose_1_phosphate","bmse000086",8,63.3999,9.58
"alpha_D_glucose_1_6_bisphosphate","bmse000087",1,96.6014,6.13
"alpha_D_glucose_1_6_bisphosphate","bmse000087",2,96.5465,7.96
"alpha_D_glucose_1_6_bisphosphate","bmse000087",3,75.3449,11.03
"alpha_D_glucose_1_6_bisphosphate","bmse000087",4,75.0612,6.57
"alpha_D_glucose_1_6_bisphosphate","bmse000087",5,74.9873,7.68
"alpha_D_glucose_1_6_bisphosphate","bmse000087",6,74.3802,6.65
"alpha_D_glucose_1_6_bisphosphate","bmse000087",7,74.317,7.4
"alpha_D_glucose_1_6_bisphosphate","bmse000087",8,71.5781,12.5
"alpha_D_glucose_1_6_bisphosphate","bmse000087",9,65.3993,4.84
"alpha_D_glucose_1_6_bisphosphate","bmse000087",10,65.3536,5.06
"glycine","bmse000089",1,175.1557,1.97
"glycine","bmse000089",2,44.1252,12.5
"guanine","bmse000090",1,170.3632,9.04
"guanine","bmse000090",2,163.6535,12.5
"guanine","bmse000090",3,161.8796,11.9
"guanine","bmse000090",4,120.9619,9.12
"guanosine","bmse000091",1,170.5025,1.71
"guanosine","bmse000091",2,163.3657,1.47
"guanosine","bmse000091",3,153.5645,2.67
"guanosine","bmse000091",4,139.3656,9.14
"guanosine","bmse000091",5,121.0084,1.46
"guanosine","bmse000091",6,90.841,11.95
"guanosine","bmse000091",7,88.5938,12.21
"guanosine","bmse000091",8,75.8197,12.21
"guanosine","bmse000091",9,73.7609,12.5
"guanosine","bmse000091",10,64.5009,9.96
"4_hydroxybenzoic_acid","bmse000092",1,161.2131,1.26
"4_hydroxybenzoic_acid","bmse000092",2,133.942,12.5
"4_hydroxybenzoic_acid","bmse000092",3,130.8287,1.62
"4_hydroxybenzoic_acid","bmse000092",4,117.592,10.22
"trans_3_hydroxycinnamic_acid","bmse000093",1,178.4192,2.27
"trans_3_hydroxycinnamic_acid","bmse000093",2,158.5422,3.6
"trans_3_hydroxycinnamic_acid","bmse000093",3,143.1901,8.95
"trans_3_hydroxycinnamic_acid","bmse000093",4,139.6042,3.48
"trans_3_hydroxycinnamic_acid","bmse000093",5,133.0298,11.46
"trans_3_hydroxycinnamic_acid","bmse000093",6,127.174,8.41
"trans_3_hydroxycinnamic_acid","bmse000093",7,122.9365,12.5
"trans_3_hydroxycinnamic_acid","bmse000093",8,119.3249,10.36
"trans_3_hydroxycinnamic_acid","bmse000093",9,116.6163,10.36
"hypoxanthine","bmse000094",1,164.9523,1.17
"hypoxanthine","bmse000094",2,159.7264,2.08
"hypoxanthine","bmse000094",3,150.37,10.69
"hypoxanthine","bmse000094",4,149.1756,12.5
"hypoxanthine","bmse000094",5,123.2364,1.06
"imidazole","bmse000096",1,137.7708,3.03
"imidazole","bmse000096",2,123.4233,12.5
"indole","bmse000097",1,138.3981,1.25
"indole","bmse000097",2,130.4755,1.24
"indole","bmse000097",3,126.7831,8.65
"indole","bmse000097",4,124.6229,12.5
"indole","bmse000097",5,123.3758,10.66
"indole","bmse000097",6,122.4493,10.48
"indole","bmse000097",7,113.6756,9.74
"indole","bmse000097",8,105.2378,11.58
"inosine","bmse000098",1,151.078,2.3
"inosine","bmse000098",2,148.9185,8.98
"inosine","bmse000098",3,142.8874,7.4
"inosine","bmse000098",4,126.8411,1.65
"inosine","bmse000098",5,91.1086,8.08
"inosine","bmse000098",6,88.2694,11.43
"inosine","bmse000098",7,76.7759,12.5
"inosine","bmse000098",8,73.0828,10.32
"inosine","bmse000098",9,64.0173,8.72
"i_erythritol","bmse000095",1,74.6148,12.5
"i_erythritol","bmse000095",2,65.3077,8.45
"L_alanine","bmse000028",1,178.5574,1.16
"L_alanine","bmse000028",2,53.2035,9.48
"L_alanine","bmse000028",3,18.8465,12.5
"L_arginine","bmse000029",1,177.2125,3.21
"L_arginine","bmse000029",2,57.0216,10.14
"L_arginine","bmse000029",3,43.2011,12.5
"L_arginine","bmse000029",4,30.2885,11.19
"L_arginine","bmse000029",5,26.5758,9.54
"L_asparagine","bmse000030",1,177.1771,1.47
"L_asparagine","bmse000030",2,176.209,1.94
"L_asparagine","bmse000030",3,53.9932,12.5
"L_asparagine","bmse000030",4,37.2983,11.26
"L_aspartic_acid","bmse000031",1,180.297,3.41
"L_aspartic_acid","bmse000031",2,176.9954,2.67
"L_aspartic_acid","bmse000031",3,54.9142,11.68
"L_aspartic_acid","bmse000031",4,39.2604,12.5
"L_citrulline","bmse000032",1,177.3878,3.15
"L_citrulline","bmse000032",2,164.2805,1.25
"L_citrulline","bmse000032",3,57.2048,11.84
"L_citrulline","bmse000032",4,41.9551,1.88
"L_citrulline","bmse000032",5,30.4444,12.5
"L_citrulline","bmse000032",6,27.6682,7.93
"L_cystathionine","bmse000033",1,56.4392,8
"L_cystathionine","bmse000033",2,56.2614,10.81
"L_cystathionine","bmse000033",3,34.8058,9.84
"L_cystathionine","bmse000033",4,32.8913,9.2
"L_cystathionine","bmse000033",5,29.7625,12.5
"L_cysteine","bmse000034",1,58.731,9.48
"L_cysteine","bmse000034",2,27.687,12.5
"L_cystine","bmse000035",1,183.331,3.03
"L_cystine","bmse000035",2,57.5783,12.5
"L_cystine","bmse000035",3,46.0281,10.99
"L_fucose","bmse000036",1,98.936,11.78
"L_fucose","bmse000036",2,94.9206,4.76
"L_fucose","bmse000036",3,75.6252,9.59
"L_fucose","bmse000036",4,74.6014,4.86
"L_fucose","bmse000036",5,74.3627,10.92
"L_fucose","bmse000036",6,74.1543,8.8
"L_fucose","bmse000036",7,73.586,9.85
"L_fucose","bmse000036",8,71.9701,4.6
"L_fucose","bmse000036",9,70.7832,3.67
"L_fucose","bmse000036",10,69.0314,4.4
"L_fucose","bmse000036",11,18.2232,12.5
"L_glutamic_acid","bmse000037",1,184.0438,2.16
"L_glutamic_acid","bmse000037",2,177.297,1.79
"L_glutamic_acid","bmse000037",3,57.3356,12.29
"L_glutamic_acid","bmse000037",4,36.1753,9.58
"L_glutamic_acid","bmse000037",5,29.6742,12.5
"L_glutamine","bmse000038",1,180.3694,1.86
"L_glutamine","bmse000038",2,176.8264,2.47
"L_glutamine","bmse000038",3,56.8326,9.96
"L_glutamine","bmse000038",4,33.528,10.99
"L_glutamine","bmse000038",5,28.9528,12.5
"L_histidine","bmse000039",1,176.6511,1.83
"L_histidine","bmse000039",2,138.9728,9.16
"L_histidine","bmse000039",3,134.6686,2.25
"L_histidine","bmse000039",4,119.5492,8.47
"L_histidine","bmse000039",5,57.4737,12.5
"L_histidine","bmse000039",6,30.7804,11.71
"L_homoserine","bmse000040",1,177.2374,1.7
"L_homoserine","bmse000040",2,61.3363,12.5
"L_homoserine","bmse000040",3,56.0719,8.39
"L_homoserine","bmse000040",4,34.8823,11.17
"L_isoleucine","bmse000041",1,176.9223,1.89
"L_isoleucine","bmse000041",2,62.2493,12.5
"L_isoleucine","bmse000041",3,38.5957,9.56
"L_isoleucine","bmse000041",4,27.1531,12.15
"L_isoleucine","bmse000041",5,17.3893,8.4
"L_isoleucine","bmse000041",6,13.8035,7.76
"L_leucine","bmse000042",1,178.3284,2.9
"L_leucine","bmse000042",2,56.1175,11.06
"L_leucine","bmse000042",3,42.5151,11.41
"L_leucine","bmse000042",4,26.8579,12.5
"L_leucine","bmse000042",5,24.7283,9.43
"L_leucine","bmse000042",6,23.5808,12.45
"L_lysine","bmse000043",1,177.4077,2.58
"L_lysine","bmse000043",2,57.1969,9.77
"L_lysine","bmse000043",3,41.7595,10.04
"L_lysine","bmse000043",4,32.6068,10.59
"L_lysine","bmse000043",5,29.1125,12.5
"L_lysine","bmse000043",6,24.1325,10.95
"malic_acid","bmse000046",1,183.7669,2.25
"malic_acid","bmse000046",2,182.5706,2
"malic_acid","bmse000046",3,73.0495,9.52
"malic_acid","bmse000046",4,45.3174,12.5
"L_methionine","bmse000044",1,177.0256,1.63
"L_methionine","bmse000044",2,56.5949,11.7
"L_methionine","bmse000044",3,32.3948,11.02
"L_methionine","bmse000044",4,31.5117,12.5
"L_methionine","bmse000044",5,16.6207,5.66
"L_phenylalanine","bmse000045",1,137.8245,2.32
"L_phenylalanine","bmse000045",2,132.08,12.5
"L_phenylalanine","bmse000045",3,131.8234,9.6
"L_phenylalanine","bmse000045",4,130.4017,5.37
"L_phenylalanine","bmse000045",5,58.7477,5.25
"L_phenylalanine","bmse000045",6,39.0993,5.55
"L_proline","bmse000047",1,177.4144,1.3
"L_proline","bmse000047",2,63.9229,11.05
"L_proline","bmse000047",3,48.7631,9.32
"L_proline","bmse000047",4,31.6863,12.5
"L_proline","bmse000047",5,26.4548,9.6
"L_serine","bmse000048",1,62.8928,12.5
"L_serine","bmse000048",2,59.0815,8.62
"L_threonine","bmse000049",1,175.6411,1.16
"L_threonine","bmse000049",2,68.6408,12.03
"L_threonine","bmse000049",3,63.1368,12.5
"L_threonine","bmse000049",4,22.1352,12.2
"L_tryptophan","bmse000050",1,177.255,2.71
"L_tryptophan","bmse000050",2,139.0401,1.59
"L_tryptophan","bmse000050",3,129.3512,1.89
"L_tryptophan","bmse000050",4,127.7463,10.84
"L_tryptophan","bmse000050",5,124.8346,12.27
"L_tryptophan","bmse000050",6,122.1638,12.5
"L_tryptophan","bmse000050",7,121.1566,12.38
"L_tryptophan","bmse000050",8,114.6587,10.23
"L_tryptophan","bmse000050",9,110.1782,4.04
"L_tryptophan","bmse000050",10,57.7537,11.28
"L_tryptophan","bmse000050",11,29.1016,11.57
"L_tyrosine","bmse000051",1,184.1279,1.35
"L_tyrosine","bmse000051",2,163.7886,1.13
"L_tyrosine","bmse000051",3,133.3998,10.61
"L_tyrosine","bmse000051",4,128.0459,2.21
"L_tyrosine","bmse000051",5,120.2955,12.5
"L_tyrosine","bmse000051",6,60.0412,5.12
"L_tyrosine","bmse000051",7,41.8233,4.45
"L_valine","bmse000052",1,63.0706,10.1
"L_valine","bmse000052",2,31.7958,11.73
"L_valine","bmse000052",3,20.6547,12.29
"L_valine","bmse000052",4,19.3267,12.5
"D_mannitol","bmse000099",1,73.4901,12.5
"D_mannitol","bmse000099",2,71.9258,8.62
"D_mannitol","bmse000099",3,65.9197,11.81
"meso_erythritol","bmse000100",1,74.6159,12.5
"meso_erythritol","bmse000100",2,65.309,8.37
"methyl_oxobutanoic_acid","bmse000101",1,39.7045,5.48
"methyl_oxobutanoic_acid","bmse000101",2,19.0607,12.5
"muco_inositol","bmse000102",1,75.0137,6.8
"muco_inositol","bmse000102",2,72.8728,12.5
"myo_inositol","bmse000103",1,77.0519,5.9
"myo_inositol","bmse000103",2,75.1054,12.5
"myo_inositol","bmse000103",3,74.8867,4.4
"myo_inositol","bmse000103",4,73.8316,10.8
"NAD","bmse000053",1,167.8653,3.69
"NAD","bmse000053",2,158.0181,4.21
"NAD","bmse000053",3,155.468,8.5
"NAD","bmse000053",4,151.5966,5.8
"NAD","bmse000053",5,148.4441,6.77
"NAD","bmse000053",6,145.0618,5.64
"NAD","bmse000053",7,142.6338,5.11
"NAD","bmse000053",8,142.3914,7.13
"NAD","bmse000053",9,136.3277,6.28
"NAD","bmse000053",10,131.3233,7.72
"NAD","bmse000053",11,121.0165,3.15
"NAD","bmse000053",12,102.7367,9.04
"NAD","bmse000053",13,89.7361,5.45
"NAD","bmse000053",14,89.6488,5.15
"NAD","bmse000053",15,89.3547,10.54
"NAD","bmse000053",16,86.5859,5.25
"NAD","bmse000053",17,86.4979,5.24
"NAD","bmse000053",18,80.3065,12.5
"NAD","bmse000053",19,76.6526,12.24
"NAD","bmse000053",20,73.2929,11.75
"NAD","bmse000053",21,73.0829,11.48
"NAD","bmse000053",22,68.1579,4.36
"NAD","bmse000053",23,68.1059,4.27
"NAD","bmse000053",24,67.6491,4.7
"NAD","bmse000053",25,67.5973,4.24
"NADH","bmse000054",1,175.3474,5.48
"NADH","bmse000054",2,158.1968,4.24
"NADH","bmse000054",3,155.4171,8.83
"NADH","bmse000054",4,151.5844,5.71
"NADH","bmse000054",5,142.3515,6.8
"NADH","bmse000054",6,141.1257,9.71
"NADH","bmse000054",7,126.4094,7.79
"NADH","bmse000054",8,121.2963,4.16
"NADH","bmse000054",9,108.0387,9.52
"NADH","bmse000054",10,102.5371,7.01
"NADH","bmse000054",11,97.7448,9.22
"NADH","bmse000054",12,89.7936,11.06
"NADH","bmse000054",13,86.3582,5.51
"NADH","bmse000054",14,85.0981,5.6
"NADH","bmse000054",15,77.2518,12.23
"NADH","bmse000054",16,73.4643,12.14
"NADH","bmse000054",17,73.2824,12.5
"NADH","bmse000054",18,72.9239,9.04
"NADH","bmse000054",19,68.6321,4.65
"NADH","bmse000054",20,67.8556,4.52
"NADH","bmse000054",21,24.5551,8.23
"NADH","bmse000054",22,19.5029,3.45
"NADPH","bmse000055",1,175.4549,3.91
"NADPH","bmse000055",2,158.2562,4.4
"NADPH","bmse000055",3,155.3726,8.4
"NADPH","bmse000055",4,151.6612,4.78
"NADPH","bmse000055",5,142.7666,6.52
"NADPH","bmse000055",6,141.0746,8.37
"NADPH","bmse000055",7,126.4637,8.6
"NADPH","bmse000055",8,108.0154,8.41
"NADPH","bmse000055",9,102.5834,6.37
"NADPH","bmse000055",10,97.6847,9.4
"NADPH","bmse000055",11,89.5671,4.71
"NADPH","bmse000055",12,89.4832,4.7
"NADPH","bmse000055",13,85.6232,4.52
"NADPH","bmse000055",14,85.136,4.45
"NADPH","bmse000055",15,79.2632,4.94
"NADPH","bmse000055",16,73.4756,12.5
"NADPH","bmse000055",17,73.324,11.5
"NADPH","bmse000055",18,72.7309,8.21
"NADPH","bmse000055",19,68.5416,4.39
"NADPH","bmse000055",20,67.9571,5.25
"NADPH","bmse000055",21,24.6213,6.74
"niacin","bmse000104",1,176.0593,0.88
"niacin","bmse000104",2,153.1473,12.5
"niacin","bmse000104",3,151.7346,9.43
"niacin","bmse000104",4,140.3918,11.16
"niacin","bmse000104",5,135.0395,2.37
"niacin","bmse000104",6,126.6461,10.94
"nicotine","bmse000105",1,152.9553,11.86
"nicotine","bmse000105",2,151.8079,8.39
"nicotine","bmse000105",3,139.9786,11.24
"nicotine","bmse000105",4,132.2848,2.82
"nicotine","bmse000105",5,127.6138,11.08
"nicotine","bmse000105",6,72.3903,8.23
"nicotine","bmse000105",7,58.7754,9.8
"nicotine","bmse000105",8,40.9138,11.41
"nicotine","bmse000105",9,33.0757,8.96
"nicotine","bmse000105",10,24.2203,12.5
"N_acetylneuraminic_acid","bmse000057",1,179.4931,2.99
"N_acetylneuraminic_acid","bmse000057",2,177.4691,5.36
"N_acetylneuraminic_acid","bmse000057",3,99.1066,6.81
"N_acetylneuraminic_acid","bmse000057",4,73.0136,10.35
"N_acetylneuraminic_acid","bmse000057",5,72.9084,11.02
"N_acetylneuraminic_acid","bmse000057",6,71.2583,9.48
"N_acetylneuraminic_acid","bmse000057",7,70.0063,10.08
"N_acetylneuraminic_acid","bmse000057",8,66.0063,10.13
"N_acetylneuraminic_acid","bmse000057",9,54.9693,12.5
"N_acetylneuraminic_acid","bmse000057",10,42.0905,8.84
"N_acetylneuraminic_acid","bmse000057",11,24.8195,11.34
"N_acetyl_D_mannosamine","bmse000056",1,178.4248,1.93
"N_acetyl_D_mannosamine","bmse000056",2,177.4968,2.6
"N_acetyl_D_mannosamine","bmse000056",3,95.8209,8.31
"N_acetyl_D_mannosamine","bmse000056",4,95.688,9.13
"N_acetyl_D_mannosamine","bmse000056",5,79.0399,10.23
"N_acetyl_D_mannosamine","bmse000056",6,74.7525,9.08
"N_acetyl_D_mannosamine","bmse000056",7,74.6939,8.91
"N_acetyl_D_mannosamine","bmse000056",8,71.5593,11.26
"N_acetyl_D_mannosamine","bmse000056",9,69.4618,11.11
"N_acetyl_D_mannosamine","bmse000056",10,69.1894,8.23
"N_acetyl_D_mannosamine","bmse000056",11,63.0714,12.5
"N_acetyl_D_mannosamine","bmse000056",12,56.7834,6.76
"N_acetyl_D_mannosamine","bmse000056",13,55.9143,11.74
"N_acetyl_D_mannosamine","bmse000056",14,24.7467,6.42
"N_acetyl_D_mannosamine","bmse000056",15,24.6103,7.83
"oxalate","bmse000106",1,176.1386,12.5
"O_succinyl_L_homoserine","bmse000058",1,183.8863,2.56
"O_succinyl_L_homoserine","bmse000058",2,178.3647,2.14
"O_succinyl_L_homoserine","bmse000058",3,176.7702,2.64
"O_succinyl_L_homoserine","bmse000058",4,64.4599,9.53
"O_succinyl_L_homoserine","bmse000058",5,55.5165,8.79
"O_succinyl_L_homoserine","bmse000058",6,35.6935,1.47
"O_succinyl_L_homoserine","bmse000058",7,34.6435,11.39
"O_succinyl_L_homoserine","bmse000058",8,33.1998,12.5
"O_succinyl_L_homoserine","bmse000058",9,32.0477,7.9
"phosphoenolpyruvic_acid","bmse000107",1,152.4983,4.37
"phosphoenolpyruvic_acid","bmse000107",2,152.4267,2.42
"phosphoenolpyruvic_acid","bmse000107",3,102.8677,10.91
"phosphoenolpyruvic_acid","bmse000107",4,102.8401,12.5
"prephenic_acid","bmse000108",1,134.012,12.19
"prephenic_acid","bmse000108",2,130.3553,12.5
"prephenic_acid","bmse000108",3,64.0727,7.77
"prephenic_acid","bmse000108",4,51.2462,2.5
"prephenic_acid","bmse000108",5,50.6545,5.86
"putrescine","bmse000109",1,41.551,11.73
"putrescine","bmse000109",2,26.5984,12.5
"pyridoxal","bmse000110",1,161.5671,1.78
"pyridoxal","bmse000110",2,148.0785,2.3
"pyridoxal","bmse000110",3,140.9568,3.28
"pyridoxal","bmse000110",4,139.5279,4.52
"pyridoxal","bmse000110",5,120.0727,6.07
"pyridoxal","bmse000110",6,102.0212,10.48
"pyridoxal","bmse000110",7,72.5072,12.5
"pyridoxal","bmse000110",8,17.5108,7.09
"pyridoxal_5_phosphate","bmse000111",1,198.7901,4.06
"pyridoxal_5_phosphate","bmse000111",2,154.2739,7.56
"pyridoxal_5_phosphate","bmse000111",3,139.0553,2.73
"pyridoxal_5_phosphate","bmse000111",4,138.9802,2.7
"pyridoxal_5_phosphate","bmse000111",5,128.8539,3.48
"pyridoxal_5_phosphate","bmse000111",6,126.7748,3.24
"pyridoxal_5_phosphate","bmse000111",7,91.4524,2.95
"pyridoxal_5_phosphate","bmse000111",8,64.4322,9.86
"pyridoxal_5_phosphate","bmse000111",9,64.3954,7.79
"pyridoxal_5_phosphate","bmse000111",10,18.7125,12.5
"pyridoxal_5_phosphate","bmse000111",11,17.3618,2.26
"pyridoxamine","bmse000130",1,165.5851,1.63
"pyridoxamine","bmse000130",2,148.1236,2.38
"pyridoxamine","bmse000130",3,138.2661,5.06
"pyridoxamine","bmse000130",4,134.7636,2.63
"pyridoxamine","bmse000130",5,126.6506,8.52
"pyridoxamine","bmse000130",6,61.8257,9.73
"pyridoxamine","bmse000130",7,39.2287,12.5
"pyridoxamine","bmse000130",8,18.1093,10.27
"pyridoxamine_5_phosphate","bmse000131",1,165.6996,3.42
"pyridoxamine_5_phosphate","bmse000131",2,147.3396,4.49
"pyridoxamine_5_phosphate","bmse000131",3,137.5932,4.37
"pyridoxamine_5_phosphate","bmse000131",4,137.5201,3.66
"pyridoxamine_5_phosphate","bmse000131",5,135.8735,6.9
"pyridoxamine_5_phosphate","bmse000131",6,125.9833,8.38
"pyridoxamine_5_phosphate","bmse000131",7,64.3374,8.14
"pyridoxamine_5_phosphate","bmse000131",8,64.2962,7.45
"pyridoxamine_5_phosphate","bmse000131",9,38.955,12.5
"pyridoxamine_5_phosphate","bmse000131",10,17.7372,11.91
"scyllo_inositol","bmse000113",1,76.2821,12.5
"shikimic_acid","bmse000114",1,178.0757,1.84
"shikimic_acid","bmse000114",2,138.7121,3.69
"shikimic_acid","bmse000114",3,133.2065,8.63
"shikimic_acid","bmse000114",4,74.7462,8.91
"shikimic_acid","bmse000114",5,69.5201,11.73
"shikimic_acid","bmse000114",6,68.9871,12.5
"shikimic_acid","bmse000114",7,35.3685,8.86
"D_sorbitol","bmse000115",1,75.6364,11.8
"D_sorbitol","bmse000115",2,73.7844,11.91
"D_sorbitol","bmse000115",3,73.6628,11.46
"D_sorbitol","bmse000115",4,72.3478,12.5
"D_sorbitol","bmse000115",5,65.5074,7.86
"D_sorbitol","bmse000115",6,65.1126,9.65
"spermidine","bmse000116",1,49.7685,12.5
"spermidine","bmse000116",2,47.255,9.6
"spermidine","bmse000116",3,41.5152,10.94
"spermidine","bmse000116",4,39.2998,10.61
"spermidine","bmse000116",5,26.64,10.09
"spermidine","bmse000116",6,26.5227,9.51
"spermidine","bmse000116",7,25.4882,11.59
"spermine","bmse000117",1,50.4642,10.16
"spermine","bmse000117",2,48.3361,12.5
"spermine","bmse000117",3,40.6981,12.1
"spermine","bmse000117",4,30.823,7.1
"spermine","bmse000117",5,27.6835,10.97
"succinic_acid","bmse000118",1,185.1648,1.78
"succinic_acid","bmse000118",2,36.8897,12.5
"sucrose","bmse000119",1,106.3887,6.15
"sucrose","bmse000119",2,94.8829,11.39
"sucrose","bmse000119",3,84.0666,11.94
"sucrose","bmse000119",4,79.0967,11.54
"sucrose","bmse000119",5,76.6892,12.13
"sucrose","bmse000119",6,75.2562,11.56
"sucrose","bmse000119",7,75.107,12.4
"sucrose","bmse000119",8,73.7694,11.94
"sucrose","bmse000119",9,71.9114,12.5
"sucrose","bmse000119",10,65.0741,11.11
"sucrose","bmse000119",11,64.0305,10.38
"sucrose","bmse000119",12,62.8059,9.96
"S_adenosyl_L_methionine","bmse000059",1,177.2049,1.06
"S_adenosyl_L_methionine","bmse000059",2,175.5374,3.57
"S_adenosyl_L_methionine","bmse000059",3,158.2573,4.07
"S_adenosyl_L_methionine","bmse000059",4,158.1473,1.23
"S_adenosyl_L_methionine","bmse000059",5,155.5574,8.68
"S_adenosyl_L_methionine","bmse000059",6,155.4871,3.71
"S_adenosyl_L_methionine","bmse000059",7,154.9459,1.28
"S_adenosyl_L_methionine","bmse000059",8,151.4918,1.4
"S_adenosyl_L_methionine","bmse000059",9,151.3094,4.84
"S_adenosyl_L_methionine","bmse000059",10,143.3489,7.53
"S_adenosyl_L_methionine","bmse000059",11,142.6447,2.96
"S_adenosyl_L_methionine","bmse000059",12,121.7408,3.05
"S_adenosyl_L_methionine","bmse000059",13,91.8,12.5
"S_adenosyl_L_methionine","bmse000059",14,90.1262,1.08
"S_adenosyl_L_methionine","bmse000059",15,90.0407,3.67
"S_adenosyl_L_methionine","bmse000059",16,85.9474,3.7
"S_adenosyl_L_methionine","bmse000059",17,81.4782,2.83
"S_adenosyl_L_methionine","bmse000059",18,80.8642,9.06
"S_adenosyl_L_methionine","bmse000059",19,76.1774,4.19
"S_adenosyl_L_methionine","bmse000059",20,75.6933,3.46
"S_adenosyl_L_methionine","bmse000059",21,75.4417,10.55
"S_adenosyl_L_methionine","bmse000059",22,75.2896,11.21
"S_adenosyl_L_methionine","bmse000059",23,75.2102,3.9
"S_adenosyl_L_methionine","bmse000059",24,75.0576,4.66
"S_adenosyl_L_methionine","bmse000059",25,61.3914,4.52
"S_adenosyl_L_methionine","bmse000059",26,60.181,3.6
"S_adenosyl_L_methionine","bmse000059",27,56.1328,4.11
"S_adenosyl_L_methionine","bmse000059",28,55.5398,11.64
"S_adenosyl_L_methionine","bmse000059",29,55.4732,3.85
"S_adenosyl_L_methionine","bmse000059",30,51.6245,1.02
"S_adenosyl_L_methionine","bmse000059",31,47.0027,7.3
"S_adenosyl_L_methionine","bmse000059",32,41.6503,2.53
"S_adenosyl_L_methionine","bmse000059",33,41.5608,8
"S_adenosyl_L_methionine","bmse000059",34,39.296,1.04
"S_adenosyl_L_methionine","bmse000059",35,38.5747,3.27
"S_adenosyl_L_methionine","bmse000059",36,34.9032,4.07
"S_adenosyl_L_methionine","bmse000059",37,28.138,8.12
"S_adenosyl_L_methionine","bmse000059",38,27.9802,2.58
"S_adenosyl_L_methionine","bmse000059",39,26.5384,1.05
"S_adenosyl_L_methionine","bmse000059",40,26.4688,3.89
"S_adenosyl_L_methionine","bmse000059",41,26.1398,11.37
"S_adenosyl_L_methionine","bmse000059",42,19.5416,3.82
"S_adenosyl_L_methionine","bmse000059",43,18.0425,2.93
"taurine","bmse000120",1,50.2124,12.5
"taurine","bmse000120",2,38.0682,11.7
"L_threitol","bmse000121",1,74.3047,12.5
"L_threitol","bmse000121",2,65.3263,12.42
"trans_4_hydroxy_L_proline","bmse000123",1,177.0263,1.29
"trans_4_hydroxy_L_proline","bmse000123",2,72.7686,12.34
"trans_4_hydroxy_L_proline","bmse000123",3,62.5265,8.41
"trans_4_hydroxy_L_proline","bmse000123",4,55.643,12.5
"trans_4_hydroxy_L_proline","bmse000123",5,40.1298,9.82
"trans_cinnamic_acid","bmse000124",1,143.5556,4.31
"trans_cinnamic_acid","bmse000124",2,137.8775,1.34
"trans_cinnamic_acid","bmse000124",3,132.3324,6.15
"trans_cinnamic_acid","bmse000124",4,131.6902,9.94
"trans_cinnamic_acid","bmse000124",5,130.4135,12.5
"trans_cinnamic_acid","bmse000124",6,126.8267,3.92
"D_trehalose","bmse000125",1,95.9171,12.5
"D_trehalose","bmse000125",2,75.2081,11.88
"D_trehalose","bmse000125",3,74.8491,10.1
"D_trehalose","bmse000125",4,73.7422,9.97
"D_trehalose","bmse000125",5,72.3894,11.58
"D_trehalose","bmse000125",6,63.2132,8.55
"uric_acid","bmse000126",1,167.6653,6.04
"uric_acid","bmse000126",2,165.3393,12.5
"uric_acid","bmse000126",3,162.2146,6.72
"uric_acid","bmse000126",4,156.4958,8.87
"uric_acid","bmse000126",5,104.5779,6.55
"xanthine","bmse000127",1,163.3303,1.9
"xanthine","bmse000127",2,161.9958,1.23
"xanthine","bmse000127",3,158.0123,1.54
"xanthine","bmse000127",4,142.7225,12.5
"xanthine","bmse000127",5,116.2503,1.15
"xanthosine","bmse000128",1,163.7475,1.41
"xanthosine","bmse000128",2,162.2764,1.3
"xanthosine","bmse000128",3,155.8547,2.56
"xanthosine","bmse000128",4,140.0607,9.27
"xanthosine","bmse000128",5,118.2068,1.28
"xanthosine","bmse000128",6,90.6608,11.73
"xanthosine","bmse000128",7,88.5324,12.41
"xanthosine","bmse000128",8,75.9737,12.5
"xanthosine","bmse000128",9,73.5577,11.03
"xanthosine","bmse000128",10,64.3556,8.81
"xylitol","bmse000129",1,74.6275,11.33
"xylitol","bmse000129",2,73.4743,6.7
"xylitol","bmse000129",3,65.3143,12.5
"tyramine","bmse000243",1,157.2984,1.41
"tyramine","bmse000243",2,132.9956,12.5
"tyramine","bmse000243",3,131.1649,2.03
"tyramine","bmse000243",4,118.5125,12.18
"tyramine","bmse000243",5,43.4518,5.34
"tyramine","bmse000243",6,34.6329,6.06
"L_carnosine","bmse000246",1,180.2008,3.84
"L_carnosine","bmse000246",2,174.3323,4.86
"L_carnosine","bmse000246",3,137.5197,9.53
"L_carnosine","bmse000246",4,134.6631,4.69
"L_carnosine","bmse000246",5,119.8491,10.48
"L_carnosine","bmse000246",6,57.5784,11.65
"L_carnosine","bmse000246",7,38.3703,11.44
"L_carnosine","bmse000246",8,34.7671,12.5
"L_carnosine","bmse000246",9,30.9947,9.98
"glycolate","bmse000245",1,182.6562,5.25
"glycolate","bmse000245",2,63.9098,12.5
"1_3_dimethylurea","bmse000248",1,29.1399,12.5
"D_glucosamine","bmse000247",1,96.7337,8.51
"D_glucosamine","bmse000247",2,92.4167,12.41
"D_glucosamine","bmse000247",3,78.843,9.89
"D_glucosamine","bmse000247",4,75.8685,8.3
"D_glucosamine","bmse000247",5,74.3489,12.5
"D_glucosamine","bmse000247",6,72.9419,11.22
"D_glucosamine","bmse000247",7,72.4037,9.8
"D_glucosamine","bmse000247",8,72.3301,12.04
"D_glucosamine","bmse000247",9,63.2894,7.62
"D_glucosamine","bmse000247",10,63.0782,11.08
"D_glucosamine","bmse000247",11,59.6847,8.44
"D_glucosamine","bmse000247",12,57.1428,11.73
"isethionic_acid","bmse000242",1,59.6397,12.02
"isethionic_acid","bmse000242",2,55.5295,12.5
"N_N_dimethylglycine","bmse000241",1,62.5717,6.55
"N_N_dimethylglycine","bmse000241",2,46.2286,12.5
"dihydroxyacetone","bmse000144",1,214.7833,3.78
"dihydroxyacetone","bmse000144",2,97.773,1.6
"dihydroxyacetone","bmse000144",3,66.2429,12.5
"N_acetyl_L_glutamine","bmse000145",1,181.3622,2.37
"N_acetyl_L_glutamine","bmse000145",2,181.1277,3.44
"N_acetyl_L_glutamine","bmse000145",3,176.3862,3.32
"N_acetyl_L_glutamine","bmse000145",4,57.3658,12.5
"N_acetyl_L_glutamine","bmse000145",5,34.4405,9.75
"N_acetyl_L_glutamine","bmse000145",6,30.4549,10.18
"N_acetyl_L_glutamine","bmse000145",7,24.6247,9.17
"ADA","bmse000146",1,180.0279,1.66
"ADA","bmse000146",2,60.0622,12.5
"ADA","bmse000146",3,59.955,1.44
"4_aminoantipyrine","bmse000147",1,144.7673,1.72
"4_aminoantipyrine","bmse000147",2,135.763,1.74
"4_aminoantipyrine","bmse000147",3,132.3952,12.5
"4_aminoantipyrine","bmse000147",4,131.8174,5.85
"4_aminoantipyrine","bmse000147",5,129.3212,12.35
"4_aminoantipyrine","bmse000147",6,37.2322,4.81
"4_aminoantipyrine","bmse000147",7,11.7408,4.42
"acetylcarnitine","bmse000142",1,179.354,4.03
"acetylcarnitine","bmse000142",2,175.4615,4.06
"acetylcarnitine","bmse000142",3,70.835,4.53
"acetylcarnitine","bmse000142",4,69.5734,12.5
"acetylcarnitine","bmse000142",5,56.5103,12.2
"acetylcarnitine","bmse000142",6,42.9071,9.73
"acetylcarnitine","bmse000142",7,23.3168,9.11
"5_acetylamido_2_chloroaniline","bmse000143",1,139.2064,3.06
"5_acetylamido_2_chloroaniline","bmse000143",2,132.3826,12.5
"5_acetylamido_2_chloroaniline","bmse000143",3,116.2078,11.5
"5_acetylamido_2_chloroaniline","bmse000143",4,112.9825,11.85
"5_acetylamido_2_chloroaniline","bmse000143",5,25.522,8.76
"uracil","bmse000187",1,170.2202,1.35
"uracil","bmse000187",2,146.2032,10.52
"uracil","bmse000187",3,103.7407,12.5
"cytidine","bmse000190",1,168.8862,2.92
"cytidine","bmse000190",2,160.3399,2.39
"cytidine","bmse000190",3,144.3268,8.93
"cytidine","bmse000190",4,98.9421,9.02
"cytidine","bmse000190",5,92.9764,11.59
"cytidine","bmse000190",6,86.4726,11.93
"cytidine","bmse000190",7,76.6665,12.26
"cytidine","bmse000190",8,71.9801,12.5
"cytidine","bmse000190",9,63.4255,9.89
"propionic_acid","bmse000179",1,187.7472,2.27
"propionic_acid","bmse000179",2,33.4143,12.5
"propionic_acid","bmse000179",3,12.8911,11.53
"cytosine","bmse000180",1,170.1095,1.09
"cytosine","bmse000180",2,145.8461,10.28
"cytosine","bmse000180",3,97.8181,12.5
"3_hydroxybutyrate","bmse000161",1,183.1934,2.18
"3_hydroxybutyrate","bmse000161",2,68.3994,9.53
"3_hydroxybutyrate","bmse000161",3,49.2195,12.5
"3_hydroxybutyrate","bmse000161",4,24.4317,11.28
"sarcosine","bmse000160",1,174.1787,1.69
"sarcosine","bmse000160",2,53.5151,12.5
"sarcosine","bmse000160",3,35.3495,10.56
"beta_alanine","bmse000159",1,181.1398,1.61
"beta_alanine","bmse000159",2,39.2339,9.51
"beta_alanine","bmse000159",3,36.2855,12.5
"uridine","bmse000158",1,169.0394,2.54
"uridine","bmse000158",2,154.4569,2.08
"uridine","bmse000158",3,144.529,8.58
"uridine","bmse000158",4,104.9743,9.81
"uridine","bmse000158",5,92.0363,11.1
"uridine","bmse000158",6,86.9005,11.88
"uridine","bmse000158",7,76.3651,11.81
"uridine","bmse000158",8,72.0985,12.5
"uridine","bmse000158",9,63.4211,9.74
"N_acetyl_L_alanine","bmse000157",1,183.142,2.18
"N_acetyl_L_alanine","bmse000157",2,176.0277,2.41
"N_acetyl_L_alanine","bmse000157",3,53.6895,12.5
"N_acetyl_L_alanine","bmse000157",4,24.5618,8.98
"N_acetyl_L_alanine","bmse000157",5,20.0042,11.11
"trimethyl_phosphonoacetate","bmse000156",1,56.6257,8.02
"trimethyl_phosphonoacetate","bmse000156",2,56.5607,8.02
"trimethyl_phosphonoacetate","bmse000156",3,55.9903,12.5
"creatinine","bmse000155",1,191.713,2.26
"creatinine","bmse000155",2,59.1239,12.5
"creatinine","bmse000155",3,58.8527,2.53
"creatinine","bmse000155",4,58.6295,1.96
"creatinine","bmse000155",5,32.9001,9.73
"4_2_aminoethyl_morpholine","bmse000154",1,68.8872,12.21
"4_2_aminoethyl_morpholine","bmse000154",2,56.9694,6.45
"4_2_aminoethyl_morpholine","bmse000154",3,55.1945,12.5
"4_2_aminoethyl_morpholine","bmse000154",4,38.3707,5.31
"L_methionine_methylsulfonium_iodide","bmse000153",1,176.1278,2.46
"L_methionine_methylsulfonium_iodide","bmse000153",2,55.6328,12.37
"L_methionine_methylsulfonium_iodide","bmse000153",3,42.2714,10.53
"L_methionine_methylsulfonium_iodide","bmse000153",4,28.1127,10.06
"L_methionine_methylsulfonium_iodide","bmse000153",5,27.4753,11.87
"L_methionine_methylsulfonium_iodide","bmse000153",6,27.4428,12.5
"trigonelline","bmse000152",1,170.5429,1.63
"trigonelline","bmse000152",2,148.7294,3.53
"trigonelline","bmse000152",3,148.5432,3.12
"trigonelline","bmse000152",4,147.4509,9.81
"trigonelline","bmse000152",5,139.591,3.58
"trigonelline","bmse000152",6,130.3808,12.5
"trigonelline","bmse000152",7,50.9868,3.8
"L_kynurenine","bmse000172",1,202.7838,4.18
"L_kynurenine","bmse000172",2,176.9655,3.82
"L_kynurenine","bmse000172",3,153.0281,3.8
"L_kynurenine","bmse000172",4,138.3201,10.63
"L_kynurenine","bmse000172",5,134.0077,10.47
"L_kynurenine","bmse000172",6,120.7487,12.5
"L_kynurenine","bmse000172",7,120.1347,3.19
"L_kynurenine","bmse000172",8,119.5469,11.71
"L_kynurenine","bmse000172",9,53.4373,9.6
"L_kynurenine","bmse000172",10,53.3893,1.75
"L_kynurenine","bmse000172",11,41.6724,9.4
"4_hydroxyphenethyl_alcohol","bmse000173",1,156.5231,1.3
"4_hydroxyphenethyl_alcohol","bmse000173",2,133.6531,2.03
"4_hydroxyphenethyl_alcohol","bmse000173",3,133.0108,12.05
"4_hydroxyphenethyl_alcohol","bmse000173",4,118.0973,12.5
"4_hydroxyphenethyl_alcohol","bmse000173",5,65.4628,5.4
"4_hydroxyphenethyl_alcohol","bmse000173",6,39.6054,5.27
"L_glutathione_oxidized","bmse000170",1,179.0431,5.08
"L_glutathione_oxidized","bmse000170",2,177.7295,7.27
"L_glutathione_oxidized","bmse000170",3,176.8436,5.71
"L_glutathione_oxidized","bmse000170",4,174.576,7.14
"L_glutathione_oxidized","bmse000170",5,56.7983,12.5
"L_glutathione_oxidized","bmse000170",6,55.2962,6.93
"L_glutathione_oxidized","bmse000170",7,46.1769,10
"L_glutathione_oxidized","bmse000170",8,41.3939,5.3
"L_glutathione_oxidized","bmse000170",9,34.0976,8.71
"L_glutathione_oxidized","bmse000170",10,28.9834,9.22
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",1,137.9087,2.24
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",2,137.8673,2.37
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",3,131.376,12.5
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",4,131.3613,12.49
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",5,130.699,5.71
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",6,130.6797,5.71
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",7,130.3647,10.88
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",8,130.3201,11.19
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",9,58.3213,5.52
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",10,57.0571,5.41
"2_amino_5_ethyl_1_3_4_thiadiazole","bmse000176",1,168.4472,1.23
"2_amino_5_ethyl_1_3_4_thiadiazole","bmse000176",2,25.8692,12.5
"2_amino_5_ethyl_1_3_4_thiadiazole","bmse000176",3,15.8228,11.49
"indole_3_acetic_acid","bmse000177",1,184.4014,2.14
"indole_3_acetic_acid","bmse000177",2,138.8639,1.78
"indole_3_acetic_acid","bmse000177",3,129.8341,1.84
"indole_3_acetic_acid","bmse000177",4,126.7302,9.37
"indole_3_acetic_acid","bmse000177",5,124.4124,12.5
"indole_3_acetic_acid","bmse000177",6,121.7961,11.6
"indole_3_acetic_acid","bmse000177",7,121.3961,11.96
"indole_3_acetic_acid","bmse000177",8,114.4077,11.75
"indole_3_acetic_acid","bmse000177",9,113.0393,2.26
"indole_3_acetic_acid","bmse000177",10,36.6627,11.8
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",1,177.1121,2.86
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",2,175.8429,2.97
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",3,146.1205,4.91
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",4,142.1751,2.25
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",5,140.3992,5.19
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",6,135.1671,1.17
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",7,128.5755,12.5
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",8,122.2003,7.85
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",9,120.5307,8.5
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",10,26.0734,7.9
"inosine_5_monophosphate","bmse000175",1,161.425,3.75
"inosine_5_monophosphate","bmse000175",2,151.4802,4.81
"inosine_5_monophosphate","bmse000175",3,149.0993,9.26
"inosine_5_monophosphate","bmse000175",4,142.6513,8.28
"inosine_5_monophosphate","bmse000175",5,126.224,3.55
"inosine_5_monophosphate","bmse000175",6,90.0513,11.57
"inosine_5_monophosphate","bmse000175",7,87.5897,6.17
"inosine_5_monophosphate","bmse000175",8,87.5029,6.25
"inosine_5_monophosphate","bmse000175",9,77.4723,12.43
"inosine_5_monophosphate","bmse000175",10,73.3415,12.5
"inosine_5_monophosphate","bmse000175",11,66.1817,4.69
"inosine_5_monophosphate","bmse000175",12,66.1371,4.9
"acetylcholine","bmse000168",1,175.9351,1.7
"acetylcholine","bmse000168",2,67.2352,3.17
"acetylcholine","bmse000168",3,67.2022,3.69
"acetylcholine","bmse000168",4,67.1693,3.21
"acetylcholine","bmse000168",5,61.0489,9.91
"acetylcholine","bmse000168",6,56.5037,10.75
"acetylcholine","bmse000168",7,56.4653,12.5
"acetylcholine","bmse000168",8,56.4269,11.09
"acetylcholine","bmse000168",9,22.907,5.01
"L_selenomethionine","bmse000169",1,177.0007,2.6
"L_selenomethionine","bmse000169",2,57.4374,11.47
"L_selenomethionine","bmse000169",3,33.6291,11.68
"L_selenomethionine","bmse000169",4,21.9577,12.5
"L_selenomethionine","bmse000169",5,5.9908,6.84
"L_carnitine","bmse000211",1,180.7932,2.55
"L_carnitine","bmse000211",2,72.8484,3.55
"L_carnitine","bmse000211",3,72.8194,4.35
"L_carnitine","bmse000211",4,72.7905,3.77
"L_carnitine","bmse000211",5,66.787,9.83
"L_carnitine","bmse000211",6,56.8352,10.16
"L_carnitine","bmse000211",7,56.7971,12.5
"L_carnitine","bmse000211",8,56.7587,10.72
"L_carnitine","bmse000211",9,45.6836,6.68
"2_deoxyguanosine_5_triphosphate","bmse000210",1,161.5994,4.1
"2_deoxyguanosine_5_triphosphate","bmse000210",2,156.5483,6.62
"2_deoxyguanosine_5_triphosphate","bmse000210",3,153.9201,3.76
"2_deoxyguanosine_5_triphosphate","bmse000210",4,140.177,4.97
"2_deoxyguanosine_5_triphosphate","bmse000210",5,118.7094,3.56
"2_deoxyguanosine_5_triphosphate","bmse000210",6,88.3356,4.95
"2_deoxyguanosine_5_triphosphate","bmse000210",7,88.2497,5.03
"2_deoxyguanosine_5_triphosphate","bmse000210",8,86.1217,10.42
"2_deoxyguanosine_5_triphosphate","bmse000210",9,85.9663,1.24
"2_deoxyguanosine_5_triphosphate","bmse000210",10,73.5912,12.5
"2_deoxyguanosine_5_triphosphate","bmse000210",11,73.4257,1.36
"2_deoxyguanosine_5_triphosphate","bmse000210",12,68.0836,4.3
"2_deoxyguanosine_5_triphosphate","bmse000210",13,68.0298,4.01
"2_deoxyguanosine_5_triphosphate","bmse000210",14,60.1564,2.92
"2_deoxyguanosine_5_triphosphate","bmse000210",15,41.4696,9.7
"2_deoxyguanosine_5_triphosphate","bmse000210",16,19.5226,3.19
"L_glutathione_reduced","bmse000185",1,179.0844,3.34
"L_glutathione_reduced","bmse000185",2,177.7381,6.24
"L_glutathione_reduced","bmse000185",3,176.8762,4.09
"L_glutathione_reduced","bmse000185",4,174.517,4.49
"L_glutathione_reduced","bmse000185",5,58.485,9.28
"L_glutathione_reduced","bmse000185",6,56.8252,12.5
"L_glutathione_reduced","bmse000185",7,46.0594,11.98
"L_glutathione_reduced","bmse000185",8,34.0617,10.25
"L_glutathione_reduced","bmse000185",9,28.9279,10.05
"L_glutathione_reduced","bmse000185",10,28.2991,8.79
"L-ascorbate","bmse000182",1,180.3168,1.43
"L-ascorbate","bmse000182",2,178.4832,2.74
"L-ascorbate","bmse000182",3,115.802,1.21
"L-ascorbate","bmse000182",4,81.1004,12.5
"L-ascorbate","bmse000182",5,72.2534,11.82
"L-ascorbate","bmse000182",6,65.2522,10.99
"glycerol","bmse000184",1,74.7687,5.34
"glycerol","bmse000184",2,65.1855,12.5
"succinic_acid","bmse000183",1,185.1723,12.5
"diethyl_oxalacetate","bmse000148",1,175.4103,2.81
"diethyl_oxalacetate","bmse000148",2,174.3091,2.64
"diethyl_oxalacetate","bmse000148",3,173.4326,3.11
"diethyl_oxalacetate","bmse000148",4,168.1048,3.57
"diethyl_oxalacetate","bmse000148",5,163.0751,2.84
"diethyl_oxalacetate","bmse000148",6,107.9727,2.93
"diethyl_oxalacetate","bmse000148",7,66.4032,12.5
"diethyl_oxalacetate","bmse000148",8,64.8073,11.65
"diethyl_oxalacetate","bmse000148",9,63.2252,12.35
"diethyl_oxalacetate","bmse000148",10,60.1425,6.53
"diethyl_oxalacetate","bmse000148",11,19.5054,7.69
"diethyl_oxalacetate","bmse000148",12,16.4349,10.31
"diethyl_oxalacetate","bmse000148",13,16.0264,10.85
"diethyl_oxalacetate","bmse000148",14,15.8307,11.05
"diethyl_oxalacetate","bmse000148",15,8.3719,1.46
"methyl_4_aminobutyrate","bmse000249",1,178.332,2.3
"methyl_4_aminobutyrate","bmse000249",2,55.0318,9.91
"methyl_4_aminobutyrate","bmse000249",3,41.3931,9.31
"methyl_4_aminobutyrate","bmse000249",4,33.2371,12.5
"methyl_4_aminobutyrate","bmse000249",5,24.7364,10.01
"acetic_acid","bmse000191",1,25.9921,12.5
"DL_alpha_glycerol_phosphate","bmse000193",1,74.017,6.6
"DL_alpha_glycerol_phosphate","bmse000193",2,73.9509,6.61
"DL_alpha_glycerol_phosphate","bmse000193",3,67.5764,6.42
"DL_alpha_glycerol_phosphate","bmse000193",4,67.5279,6.33
"DL_alpha_glycerol_phosphate","bmse000193",5,64.9909,12.5
"L_arginine_L_glutamate","bmse000194",1,184.0271,2.62
"L_arginine_L_glutamate","bmse000194",2,177.3004,2.69
"L_arginine_L_glutamate","bmse000194",3,177.2486,3.51
"L_arginine_L_glutamate","bmse000194",4,159.5217,1.58
"L_arginine_L_glutamate","bmse000194",5,57.3276,11.34
"L_arginine_L_glutamate","bmse000194",6,56.9877,12.33
"L_arginine_L_glutamate","bmse000194",7,43.187,10.69
"L_arginine_L_glutamate","bmse000194",8,36.1773,12.5
"L_arginine_L_glutamate","bmse000194",9,30.2821,11.31
"L_arginine_L_glutamate","bmse000194",10,29.6813,11.66
"L_arginine_L_glutamate","bmse000194",11,26.565,9.36
"N_alpha_acetyl_DL_ornithine","bmse000195",1,181.278,2.84
"N_alpha_acetyl_DL_ornithine","bmse000195",2,176.3942,3.3
"N_alpha_acetyl_DL_ornithine","bmse000195",3,57.2647,12.5
"N_alpha_acetyl_DL_ornithine","bmse000195",4,41.7026,11.36
"N_alpha_acetyl_DL_ornithine","bmse000195",5,31.2562,11.58
"N_alpha_acetyl_DL_ornithine","bmse000195",6,26.1175,10.85
"N_alpha_acetyl_DL_ornithine","bmse000195",7,24.6039,9.43
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",1,177.1802,4.22
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",2,100.7816,12.14
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",3,74.3693,12.5
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",4,73.8173,11.87
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",5,72.6604,11.86
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",6,63.2442,9.78
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",7,57.84,10.7
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",8,56.3295,11.36
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",9,24.5939,9.03
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",1,177.4262,6.89
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",2,95.5064,6.59
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",3,95.4519,6.61
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",4,74.8112,12.48
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",5,74.1248,11.53
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",6,72.717,12.5
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",7,63.3991,10.48
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",8,60.1385,1.19
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",9,56.8941,6.31
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",10,56.82,5.92
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",11,24.8547,11.82
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",12,19.5064,1.35
"6_phosphogluconic_acid","bmse000198",1,181.6058,3.57
"6_phosphogluconic_acid","bmse000198",2,76.871,10.24
"6_phosphogluconic_acid","bmse000198",3,74.5728,12.34
"6_phosphogluconic_acid","bmse000198",4,73.5923,12.5
"6_phosphogluconic_acid","bmse000198",5,73.3427,6.13
"6_phosphogluconic_acid","bmse000198",6,73.2817,6
"6_phosphogluconic_acid","bmse000198",7,67.8378,5.3
"6_phosphogluconic_acid","bmse000198",8,67.7897,5.02
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",1,177.4856,7.09
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",2,169.018,6.26
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",3,154.5678,4.71
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",4,144.3458,8.41
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",5,105.3664,9.76
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",6,97.2217,5.52
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",7,97.1586,5.3
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",8,91.2324,10.4
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",9,85.9265,5.45
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",10,85.8356,5.37
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",11,76.5038,12.5
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",12,75.7265,10.47
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",13,73.618,9.4
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",14,72.3363,12.03
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",15,72.1894,10.68
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",16,67.7104,4.06
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",17,67.6547,4.21
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",18,63.011,8.29
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",19,56.4123,4.85
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",20,56.3279,4.86
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",21,24.8017,11.06
"D_glucosamine_6_phosphate","bmse000189",1,96.7641,3.96
"D_glucosamine_6_phosphate","bmse000189",2,92.5468,9.11
"D_glucosamine_6_phosphate","bmse000189",3,78.573,7.72
"D_glucosamine_6_phosphate","bmse000189",4,78.5029,8.09
"D_glucosamine_6_phosphate","bmse000189",5,75.3,3.82
"D_glucosamine_6_phosphate","bmse000189",6,74.241,8.9
"D_glucosamine_6_phosphate","bmse000189",7,74.1735,8.79
"D_glucosamine_6_phosphate","bmse000189",8,72.61,7.6
"D_glucosamine_6_phosphate","bmse000189",9,72.216,8.01
"D_glucosamine_6_phosphate","bmse000189",10,72.0861,11.81
"D_glucosamine_6_phosphate","bmse000189",11,65.6945,5.67
"D_glucosamine_6_phosphate","bmse000189",12,65.5318,8.2
"D_glucosamine_6_phosphate","bmse000189",13,59.9922,8.37
"D_glucosamine_6_phosphate","bmse000189",14,57.442,12.5
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",1,177.6459,3.99
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",2,177.3558,6.21
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",3,97.9785,9.64
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",4,93.8355,12.5
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",5,78.3788,4.55
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",6,78.3082,5
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",7,76.3335,8.77
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",8,74.1312,5.77
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",9,74.0636,5.71
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",10,73.273,9.62
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",11,72.5985,6.43
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",12,72.4066,4.3
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",13,65.8183,6.34
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",14,59.7314,6.92
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",15,57.09,11.32
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",16,25.09,7.17
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",17,24.8284,8.82
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",18,24.6366,2.13
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",19,8.3826,2.3
"formate","bmse000203",1,173.8915,12.5
"HEPES","bmse000202",1,60.8048,5.44
"HEPES","bmse000202",2,58.5772,7.51
"HEPES","bmse000202",3,54.5149,8.11
"HEPES","bmse000202",4,54.0844,12.5
"HEPES","bmse000202",5,52.383,11.07
"HEPES","bmse000202",6,50.0053,7.83
"D_citrulline","bmse000209",1,177.3935,5.6
"D_citrulline","bmse000209",2,164.2858,1.35
"D_citrulline","bmse000209",3,57.1942,10.87
"D_citrulline","bmse000209",4,41.9172,1.9
"D_citrulline","bmse000209",5,30.442,12.5
"D_citrulline","bmse000209",6,27.6603,6.22
"tryptamine","bmse000207",1,139.1467,1.96
"tryptamine","bmse000207",2,129.1548,2.05
"tryptamine","bmse000207",3,127.0515,9.42
"tryptamine","bmse000207",4,124.8771,12.23
"tryptamine","bmse000207",5,122.1292,11.7
"tryptamine","bmse000207",6,121.0332,11.62
"tryptamine","bmse000207",7,114.7782,11.66
"tryptamine","bmse000207",8,111.7871,2.5
"tryptamine","bmse000207",9,42.4461,10.28
"tryptamine","bmse000207",10,25.3872,12.5
"caffeine","bmse000206",1,158.3677,2.3
"caffeine","bmse000206",2,154.8444,2.1
"caffeine","bmse000206",3,150.6943,2.53
"caffeine","bmse000206",4,146.1726,12.5
"caffeine","bmse000206",5,109.992,1.93
"caffeine","bmse000206",6,36.1671,12
"caffeine","bmse000206",7,32.5176,11.72
"caffeine","bmse000206",8,30.6092,12.15
"DL_serine","bmse000222",1,175.1858,1.49
"DL_serine","bmse000222",2,62.8818,12.5
"DL_serine","bmse000222",3,59.0696,9.18
"kanamycin","bmse000201",1,103.0882,11.25
"kanamycin","bmse000201",2,99.3708,11.19
"kanamycin","bmse000201",3,87.4547,11.03
"kanamycin","bmse000201",4,82.3518,10.12
"kanamycin","bmse000201",5,76.1335,11.05
"kanamycin","bmse000201",6,75.2746,11.27
"kanamycin","bmse000201",7,74.8051,11.96
"kanamycin","bmse000201",8,73.8216,11.92
"kanamycin","bmse000201",9,73.7132,12.5
"kanamycin","bmse000201",10,71.3274,11.8
"kanamycin","bmse000201",11,71.2135,10.89
"kanamycin","bmse000201",12,68.4669,11.25
"kanamycin","bmse000201",13,62.5738,8.79
"kanamycin","bmse000201",14,57.6876,10.31
"kanamycin","bmse000201",15,52.8142,10.87
"kanamycin","bmse000201",16,50.8624,10.67
"kanamycin","bmse000201",17,43.1772,9.79
"kanamycin","bmse000201",18,32.4006,6.43
"D_galacturonic_acid","bmse000216",1,178.7328,1.92
"D_galacturonic_acid","bmse000216",2,177.8683,2.95
"D_galacturonic_acid","bmse000216",3,103.6266,1.14
"D_galacturonic_acid","bmse000216",4,98.6973,11.64
"D_galacturonic_acid","bmse000216",5,94.8821,8.1
"D_galacturonic_acid","bmse000216",6,86.1096,1.16
"D_galacturonic_acid","bmse000216",7,83.8927,1.25
"D_galacturonic_acid","bmse000216",8,78.2191,12.5
"D_galacturonic_acid","bmse000216",9,75.5921,12.15
"D_galacturonic_acid","bmse000216",10,74.2733,11.54
"D_galacturonic_acid","bmse000216",11,74.0687,8.3
"D_galacturonic_acid","bmse000216",12,73.5175,7.92
"D_galacturonic_acid","bmse000216",13,73.4128,1.2
"D_galacturonic_acid","bmse000216",14,73.0403,11.9
"D_galacturonic_acid","bmse000216",15,72.0425,8.11
"D_galacturonic_acid","bmse000216",16,70.7295,8.19
"melibiose","bmse000215",1,100.9074,4.94
"melibiose","bmse000215",2,100.8624,8.18
"melibiose","bmse000215",3,98.7735,7.77
"melibiose","bmse000215",4,94.8936,4.8
"melibiose","bmse000215",5,78.5818,7.92
"melibiose","bmse000215",6,77.0481,7.86
"melibiose","bmse000215",7,76.7432,7.91
"melibiose","bmse000215",8,75.641,4.51
"melibiose","bmse000215",9,74.115,4.66
"melibiose","bmse000215",10,73.6521,8.63
"melibiose","bmse000215",11,72.7897,4.38
"melibiose","bmse000215",12,72.2675,4.58
"melibiose","bmse000215",13,72.1681,11.13
"melibiose","bmse000215",14,72.1168,8.41
"melibiose","bmse000215",15,71.8969,12.5
"melibiose","bmse000215",16,71.1809,5.01
"melibiose","bmse000215",17,71.1499,8
"melibiose","bmse000215",18,68.5997,3.4
"melibiose","bmse000215",19,68.5048,5.74
"melibiose","bmse000215",20,63.7993,7.48
"raffinose","bmse000221",1,106.4984,12
"raffinose","bmse000221",2,101.1619,11.75
"raffinose","bmse000221",3,94.8107,10.5
"raffinose","bmse000221",4,84.0386,10.37
"raffinose","bmse000221",5,78.9908,10.66
"raffinose","bmse000221",6,76.6708,10.74
"raffinose","bmse000221",7,75.3481,10.62
"raffinose","bmse000221",8,74.0893,10.03
"raffinose","bmse000221",9,73.7298,10.76
"raffinose","bmse000221",10,73.6491,10.76
"raffinose","bmse000221",11,72.1375,11.45
"raffinose","bmse000221",12,72.0811,10.61
"raffinose","bmse000221",13,71.8977,12.5
"raffinose","bmse000221",14,71.1782,10.63
"raffinose","bmse000221",15,68.5609,7.4
"raffinose","bmse000221",16,65.174,9.27
"raffinose","bmse000221",17,64.0591,8.59
"raffinose","bmse000221",18,63.8064,10.78
"phenylacetic_acid","bmse000220",1,140.0132,1.48
"phenylacetic_acid","bmse000220",2,131.8678,12.4
"phenylacetic_acid","bmse000220",3,131.3739,12.5
"phenylacetic_acid","bmse000220",4,129.1624,7.27
"phenylacetic_acid","bmse000220",5,47.1763,7.68
"quinolinic_acid","bmse000219",1,151.0633,4.64
"quinolinic_acid","bmse000219",2,139.9295,12.5
"quinolinic_acid","bmse000219",3,134.2225,1.66
"quinolinic_acid","bmse000219",4,126.3609,1.43
"L_arabinose","bmse000213",1,99.4707,11.84
"L_arabinose","bmse000213",2,95.2773,6.36
"L_arabinose","bmse000213",3,85.6557,1.01
"L_arabinose","bmse000213",4,75.1558,12.46
"L_arabinose","bmse000213",5,74.5445,11.65
"L_arabinose","bmse000213",6,71.3975,5.23
"L_arabinose","bmse000213",7,71.291,6.33
"L_arabinose","bmse000213",8,71.19,12.5
"L_arabinose","bmse000213",9,71.1316,6.46
"L_arabinose","bmse000213",10,69.092,10.76
"L_arabinose","bmse000213",11,65.1629,5.63
"L_arabinose","bmse000213",12,63.7809,1.01
"maleic_acid","bmse000212",1,178.0156,12.5
"maleic_acid","bmse000212",2,138.0455,2.52
"trimethylamine","bmse000224",1,47.3627,12.5
"FAD","bmse000226",1,164.0687,6.03
"FAD","bmse000226",2,160.4644,6.44
"FAD","bmse000226",3,157.4008,5.27
"FAD","bmse000226",4,155.0401,6.79
"FAD","bmse000226",5,153.2024,6.31
"FAD","bmse000226",6,152.7018,4.88
"FAD","bmse000226",7,150.7506,8.42
"FAD","bmse000226",8,141.8033,9.25
"FAD","bmse000226",9,137.3022,7.38
"FAD","bmse000226",10,136.7199,6.9
"FAD","bmse000226",11,134.1126,5.24
"FAD","bmse000226",12,133.1145,6.31
"FAD","bmse000226",13,120.4006,4.97
"FAD","bmse000226",14,119.1392,5.98
"FAD","bmse000226",15,89.8286,8.42
"FAD","bmse000226",16,86.1706,4.9
"FAD","bmse000226",17,77.5902,9.53
"FAD","bmse000226",18,75.1902,7.63
"FAD","bmse000226",19,73.8874,4.74
"FAD","bmse000226",20,72.6742,9.77
"FAD","bmse000226",21,72.0204,7.14
"FAD","bmse000226",22,49.8304,4.6
"FAD","bmse000226",23,23.4503,12.23
"FAD","bmse000226",24,21.3064,12.5
"biotin","bmse000227",1,186.5202,3.08
"biotin","bmse000227",2,168.1155,1.31
"biotin","bmse000227",3,64.7083,11.47
"biotin","bmse000227",4,62.9655,10.94
"biotin","bmse000227",5,58.0656,12.5
"biotin","bmse000227",6,42.4481,10.02
"biotin","bmse000227",7,40.0331,11.31
"biotin","bmse000227",8,30.9897,10.73
"biotin","bmse000227",9,30.4007,10.87
"biotin","bmse000227",10,28.3888,11.03
"L_malic_acid","bmse000238",1,183.7653,2.22
"L_malic_acid","bmse000238",2,182.5621,2.11
"L_malic_acid","bmse000238",3,73.0565,11
"L_malic_acid","bmse000238",4,45.325,12.5
"DL_pipecolic_acid","bmse000237",1,177.3687,2.02
"DL_pipecolic_acid","bmse000237",2,61.7014,10.46
"DL_pipecolic_acid","bmse000237",3,46.3684,11.14
"DL_pipecolic_acid","bmse000237",4,29.2254,12.03
"DL_pipecolic_acid","bmse000237",5,24.5183,12.5
"DL_pipecolic_acid","bmse000237",6,24.2597,11.72
"alpha_naphthoic_acid","bmse000178",1,180.9525,1.22
"alpha_naphthoic_acid","bmse000178",2,140.3164,2.38
"alpha_naphthoic_acid","bmse000178",3,136.0023,3.43
"alpha_naphthoic_acid","bmse000178",4,131.8378,2.83
"alpha_naphthoic_acid","bmse000178",5,131.5775,11.93
"alpha_naphthoic_acid","bmse000178",6,130.9661,12.32
"alpha_naphthoic_acid","bmse000178",7,129.4469,11.78
"alpha_naphthoic_acid","bmse000178",8,128.9278,12.24
"alpha_naphthoic_acid","bmse000178",9,128.3008,11.2
"alpha_naphthoic_acid","bmse000178",10,128.1263,11.47
"alpha_naphthoic_acid","bmse000178",11,126.9179,12.5
"L_lactic_acid","bmse000208",1,185.2568,1.47
"L_lactic_acid","bmse000208",2,71.1986,10.31
"L_lactic_acid","bmse000208",3,22.7605,12.5
"thymidine","bmse000244",1,169.2606,1.96
"thymidine","bmse000244",2,154.4362,2.17
"thymidine","bmse000244",3,140.2111,10.41
"thymidine","bmse000244",4,114.1556,4.85
"thymidine","bmse000244",5,89.1962,12.5
"thymidine","bmse000244",6,87.7135,11.37
"thymidine","bmse000244",7,73.1301,12.1
"thymidine","bmse000244",8,63.8632,10.49
"thymidine","bmse000244",9,41.1957,10.46
"thymidine","bmse000244",10,14.2614,10.1
"citraconic_acid","bmse000199",1,182.5855,1.19
"citraconic_acid","bmse000199",2,177.0006,1.62
"citraconic_acid","bmse000199",3,150.7235,3.14
"citraconic_acid","bmse000199",4,122.9987,12.5
"citraconic_acid","bmse000199",5,23.083,10.26
"homogentisic_acid","bmse000200",1,183.4495,2.25
"homogentisic_acid","bmse000200",2,151.5798,3.49
"homogentisic_acid","bmse000200",3,150.3577,2.71
"homogentisic_acid","bmse000200",4,128.3103,4.07
"homogentisic_acid","bmse000200",5,120.3611,12.12
"homogentisic_acid","bmse000200",6,119.7948,12.5
"homogentisic_acid","bmse000200",7,117.1989,12.11
"homogentisic_acid","bmse000200",8,42.6626,11.69
"isonicotinic_acid","bmse000133",1,152.265,11.27
"isonicotinic_acid","bmse000133",2,143.3482,1.49
"isonicotinic_acid","bmse000133",3,124.3227,12.5
"homovanillic_acid","bmse000132",1,184.0342,2.31
"homovanillic_acid","bmse000132",2,149.9125,2.75
"homovanillic_acid","bmse000132",3,145.8277,2.64
"homovanillic_acid","bmse000132",4,132.7556,4.92
"homovanillic_acid","bmse000132",5,124.6363,12.01
"homovanillic_acid","bmse000132",6,118.1634,12.5
"homovanillic_acid","bmse000132",7,116.1596,11.86
"homovanillic_acid","bmse000132",8,58.5972,11.89
"homovanillic_acid","bmse000132",9,46.5865,11.75
"cyanuric_acid","bmse000135",1,158.7585,12.5
"ethacrynic_acid","bmse000134",1,202.3118,4.43
"ethacrynic_acid","bmse000134",2,177.9826,5
"ethacrynic_acid","bmse000134",3,158.7271,7.04
"ethacrynic_acid","bmse000134",4,152.4416,9.11
"ethacrynic_acid","bmse000134",5,134.6377,7.45
"ethacrynic_acid","bmse000134",6,134.3055,7.14
"ethacrynic_acid","bmse000134",7,133.1034,4.2
"ethacrynic_acid","bmse000134",8,130.6445,11.98
"ethacrynic_acid","bmse000134",9,124.6188,3.16
"ethacrynic_acid","bmse000134",10,113.5528,12.1
"ethacrynic_acid","bmse000134",11,70.3721,12.5
"ethacrynic_acid","bmse000134",12,25.8093,12.14
"ethacrynic_acid","bmse000134",13,14.5372,10.57
"itaconic_acid","bmse000137",1,183.4319,1.66
"itaconic_acid","bmse000137",2,144.4598,3.08
"itaconic_acid","bmse000137",3,124.7498,11.94
"itaconic_acid","bmse000137",4,44.7199,12.5
"amygdalin","bmse000139",1,135.1591,3.04
"amygdalin","bmse000139",2,133.2211,4.82
"amygdalin","bmse000139",3,132.0805,12.5
"amygdalin","bmse000139",4,130.5071,12.26
"amygdalin","bmse000139",5,121.2539,2.79
"amygdalin","bmse000139",6,105.5549,5
"amygdalin","bmse000139",7,104.1485,4.67
"amygdalin","bmse000139",8,78.6035,5.33
"amygdalin","bmse000139",9,78.2945,5.19
"amygdalin","bmse000139",10,78.182,4.9
"amygdalin","bmse000139",11,78.0819,4.95
"amygdalin","bmse000139",12,75.9,5.09
"amygdalin","bmse000139",13,75.4567,4.78
"amygdalin","bmse000139",14,72.369,5.36
"amygdalin","bmse000139",15,71.8621,4.67
"amygdalin","bmse000139",16,71.7644,5.77
"amygdalin","bmse000139",17,70.9831,3.34
"amygdalin","bmse000139",18,63.4233,3.79
"D_cellobiose","bmse000138",1,105.2663,8.21
"D_cellobiose","bmse000138",2,105.2381,5.61
"D_cellobiose","bmse000138",3,98.4528,7.32
"D_cellobiose","bmse000138",4,94.5197,4.61
"D_cellobiose","bmse000138",5,81.4215,4.68
"D_cellobiose","bmse000138",6,81.2838,7.67
"D_cellobiose","bmse000138",7,78.6932,12.12
"D_cellobiose","bmse000138",8,78.1874,12.5
"D_cellobiose","bmse000138",9,77.5013,7.76
"D_cellobiose","bmse000138",10,76.9856,7.78
"D_cellobiose","bmse000138",11,76.5907,7.38
"D_cellobiose","bmse000138",12,75.8703,9.08
"D_cellobiose","bmse000138",13,74.0348,4.8
"D_cellobiose","bmse000138",14,73.925,5.13
"D_cellobiose","bmse000138",15,72.8163,4.72
"D_cellobiose","bmse000138",16,72.1615,6.12
"D_cellobiose","bmse000138",17,72.1439,8.59
"D_cellobiose","bmse000138",18,63.2643,6.56
"D_cellobiose","bmse000138",19,62.74,5.36
"D_cellobiose","bmse000138",20,62.606,3.56
"gamma_D_galactonolactone","bmse000141",1,178.7234,2.86
"gamma_D_galactonolactone","bmse000141",2,82.7298,12.5
"gamma_D_galactonolactone","bmse000141",3,76.4007,12.48
"gamma_D_galactonolactone","bmse000141",4,75.5187,12.19
"gamma_D_galactonolactone","bmse000141",5,74.2346,3.63
"gamma_D_galactonolactone","bmse000141",6,74.0161,3.26
"gamma_D_galactonolactone","bmse000141",7,72.7812,3.45
"gamma_D_galactonolactone","bmse000141",8,72.4324,3.36
"gamma_D_galactonolactone","bmse000141",9,71.5773,12.34
"gamma_D_galactonolactone","bmse000141",10,66.0277,3.07
"gamma_D_galactonolactone","bmse000141",11,64.6899,11.19
"D_glucuronate","bmse000140",1,179.6525,1.52
"D_glucuronate","bmse000140",2,178.6724,2.78
"D_glucuronate","bmse000140",3,98.5755,11.73
"D_glucuronate","bmse000140",4,94.8123,7.69
"D_glucuronate","bmse000140",5,78.959,12.5
"D_glucuronate","bmse000140",6,78.2467,11.99
"D_glucuronate","bmse000140",7,76.6906,11.59
"D_glucuronate","bmse000140",8,75.2591,7.37
"D_glucuronate","bmse000140",9,74.8051,6.93
"D_glucuronate","bmse000140",10,74.5748,8
"D_glucuronate","bmse000140",11,74.5431,12.46
"D_glucuronate","bmse000140",12,73.9985,7.55
"L_gulonolactone","bmse000235",1,180.7006,2.42
"L_gulonolactone","bmse000235",2,84.0626,11.74
"L_gulonolactone","bmse000235",3,76.1965,2.96
"L_gulonolactone","bmse000235",4,75.331,3.02
"L_gulonolactone","bmse000235",5,74.9955,3.01
"L_gulonolactone","bmse000235",6,73.5223,12.5
"L_gulonolactone","bmse000235",7,73.1631,3.21
"L_gulonolactone","bmse000235",8,72.7983,12.19
"L_gulonolactone","bmse000235",9,72.2798,12.42
"L_gulonolactone","bmse000235",10,65.2205,2.74
"L_gulonolactone","bmse000235",11,64.1843,11.09
"glycogen","bmse000232",1,102.5103,8.96
"glycogen","bmse000232",2,79.5505,5.53
"glycogen","bmse000232",3,75.5834,9.32
"glycogen","bmse000232",4,74.2061,12.5
"glycogen","bmse000232",5,72.0454,4.53
"glycogen","bmse000232",6,63.2055,9.29
"melibiose","bmse000233",1,100.9084,5.19
"melibiose","bmse000233",2,100.8632,7.98
"melibiose","bmse000233",3,98.7735,7.66
"melibiose","bmse000233",4,94.8931,4.76
"melibiose","bmse000233",5,78.5818,7.97
"melibiose","bmse000233",6,77.0484,7.73
"melibiose","bmse000233",7,76.7428,7.76
"melibiose","bmse000233",8,75.6402,4.58
"melibiose","bmse000233",9,74.1149,4.63
"melibiose","bmse000233",10,73.6528,8.49
"melibiose","bmse000233",11,72.7893,4.29
"melibiose","bmse000233",12,72.267,4.52
"melibiose","bmse000233",13,72.1674,11.07
"melibiose","bmse000233",14,72.1167,8.55
"melibiose","bmse000233",15,71.8963,12.5
"melibiose","bmse000233",16,71.1803,5.19
"melibiose","bmse000233",17,71.1491,7.83
"melibiose","bmse000233",18,68.5995,3.44
"melibiose","bmse000233",19,68.5046,5.7
"melibiose","bmse000233",20,63.7983,7.42
"D_glucono_1_5_lactone","bmse000230",1,181.2312,2.98
"D_glucono_1_5_lactone","bmse000230",2,76.6877,12.5
"D_glucono_1_5_lactone","bmse000230",3,75.204,12.42
"D_glucono_1_5_lactone","bmse000230",4,73.8622,12.42
"D_glucono_1_5_lactone","bmse000230",5,73.6372,12.42
"D_glucono_1_5_lactone","bmse000230",6,65.3046,10.99
"N_acetyl_D_glucosamine","bmse000231",1,177.4899,2.8
"N_acetyl_D_glucosamine","bmse000231",2,177.2462,4.07
"N_acetyl_D_glucosamine","bmse000231",3,97.6343,8.26
"N_acetyl_D_glucosamine","bmse000231",4,93.5456,12.5
"N_acetyl_D_glucosamine","bmse000231",5,78.6606,9.02
"N_acetyl_D_glucosamine","bmse000231",6,76.5921,8.56
"N_acetyl_D_glucosamine","bmse000231",7,74.2719,12.4
"N_acetyl_D_glucosamine","bmse000231",8,73.3628,12.21
"N_acetyl_D_glucosamine","bmse000231",9,72.7507,12.34
"N_acetyl_D_glucosamine","bmse000231",10,72.5242,8.84
"N_acetyl_D_glucosamine","bmse000231",11,63.4249,7.22
"N_acetyl_D_glucosamine","bmse000231",12,63.2564,10.49
"N_acetyl_D_glucosamine","bmse000231",13,59.3824,8.25
"N_acetyl_D_glucosamine","bmse000231",14,56.8002,11.86
"N_acetyl_D_glucosamine","bmse000231",15,24.8865,6.38
"N_acetyl_D_glucosamine","bmse000231",16,24.609,9.19
"polygalacturonic_acid","bmse000228",1,178.1914,12.5
"polygalacturonic_acid","bmse000228",2,101.6522,9.97
"polygalacturonic_acid","bmse000228",3,80.5569,9.65
"polygalacturonic_acid","bmse000228",4,73.9772,8.45
"polygalacturonic_acid","bmse000228",5,71.4996,8.28
"polygalacturonic_acid","bmse000228",6,70.7598,8.29
"polygalacturonic_acid","bmse000228",7,26.4074,3.65
"D_saccharate","bmse000239",1,181.3679,2.13
"D_saccharate","bmse000239",2,181.237,1.95
"D_saccharate","bmse000239",3,76.4264,11.96
"D_saccharate","bmse000239",4,76.4165,12.5
"D_saccharate","bmse000239",5,76.2846,9.51
"D_saccharate","bmse000239",6,74.3621,9.95
"stachyose","bmse000240",1,106.5168,12.21
"stachyose","bmse000240",2,101.06,8.92
"stachyose","bmse000240",3,100.7169,10.76
"stachyose","bmse000240",4,94.8219,8.89
"stachyose","bmse000240",5,84.0524,9.16
"stachyose","bmse000240",6,78.9976,9.04
"stachyose","bmse000240",7,76.6795,9.2
"stachyose","bmse000240",8,75.4111,9
"stachyose","bmse000240",9,73.9757,8.23
"stachyose","bmse000240",10,73.7006,10.47
"stachyose","bmse000240",11,73.6476,9.63
"stachyose","bmse000240",12,72.1972,12.5
"stachyose","bmse000240",13,72.173,10.25
"stachyose","bmse000240",14,72.0684,10.06
"stachyose","bmse000240",15,72.0362,10.92
"stachyose","bmse000240",16,71.9303,12.49
"stachyose","bmse000240",17,71.5019,8.73
"stachyose","bmse000240",18,71.1393,9.07
"stachyose","bmse000240",19,70.9835,10.63
"stachyose","bmse000240",20,69.1734,6.48
"stachyose","bmse000240",21,68.5201,5.87
"stachyose","bmse000240",22,65.1886,8.65
"stachyose","bmse000240",23,64.0756,7.23
"stachyose","bmse000240",24,63.8499,10.36
"L_tartaric_acid","bmse000167",1,181.2992,12.5
"D_xylonate_cadmium","bmse000166",1,181.2863,3.14
"D_xylonate_cadmium","bmse000166",2,75.334,10.18
"D_xylonate_cadmium","bmse000166",3,75.0844,12.5
"D_xylonate_cadmium","bmse000166",4,65.059,9.59
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",1,177.4252,6.68
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",2,95.4941,6.42
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",3,95.4396,6.74
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",4,74.801,12.35
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",5,74.139,11.43
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",6,72.7232,12.5
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",7,63.4049,10.26
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",8,60.1376,1.31
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",9,56.8998,5.8
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",10,56.8264,6.12
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",11,24.8578,11.78
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",12,19.5062,1.22
"L_ornithine","bmse000162",1,177.052,2.52
"L_ornithine","bmse000162",2,56.8032,12.42
"L_ornithine","bmse000162",3,41.5581,10.67
"L_ornithine","bmse000162",4,30.183,12.5
"L_ornithine","bmse000162",5,25.4674,10.78
"D_alanine","bmse000236",1,178.5839,1.59
"D_alanine","bmse000236",2,53.2011,9.79
"D_alanine","bmse000236",3,18.8519,12.5
"4_nitrophenol","bmse000223",1,130.0111,12.5
"4_nitrophenol","bmse000223",2,129.9947,12.29
"4_nitrophenol","bmse000223",3,120.3011,8.51
"4_nitrophenol","bmse000223",4,120.2591,10.79
"D_L_glyceraldehyde","bmse000225",1,92.4597,11.03
"D_L_glyceraldehyde","bmse000225",2,76.7639,11.48
"D_L_glyceraldehyde","bmse000225",3,64.6759,12.5
"4_hydroxycinnamic_acid","bmse000150",1,178.908,1.38
"4_hydroxycinnamic_acid","bmse000150",2,159.818,1.85
"4_hydroxycinnamic_acid","bmse000150",3,143.5246,4.55
"4_hydroxycinnamic_acid","bmse000150",4,132.2994,11.74
"4_hydroxycinnamic_acid","bmse000150",5,130.1932,2.25
"4_hydroxycinnamic_acid","bmse000150",6,124.1229,4.91
"4_hydroxycinnamic_acid","bmse000150",7,118.5321,12.5
"alpha_D_galactose_1_phosphate","bmse000151",1,96.62,5.96
"alpha_D_galactose_1_phosphate","bmse000151",2,96.566,5.93
"alpha_D_galactose_1_phosphate","bmse000151",3,73.8281,11.4
"alpha_D_galactose_1_phosphate","bmse000151",4,72.304,10.42
"alpha_D_galactose_1_phosphate","bmse000151",5,72.1558,12.5
"alpha_D_galactose_1_phosphate","bmse000151",6,71.7402,5.87
"alpha_D_galactose_1_phosphate","bmse000151",7,71.6737,5.84
"alpha_D_galactose_1_phosphate","bmse000151",8,64.0705,10.09
"dAMP","bmse000250",1,155.0627,3.71
"dAMP","bmse000250",2,142.9366,3.42
"dAMP","bmse000250",3,90.1821,11.54
"dAMP","bmse000250",4,87.3797,7.1
"dAMP","bmse000250",5,74.0139,10.26
"dAMP","bmse000250",6,64.4148,12.5
"dAMP","bmse000250",7,41.7694,7.82
"Oxalosuccinate","bmse000251",1,184.1371,2.15
"Oxalosuccinate","bmse000251",2,172.7664,1.95
"Oxalosuccinate","bmse000251",3,52.8383,1.48
"Oxalosuccinate","bmse000251",4,38.5758,5.93
"Oxalosuccinate","bmse000251",5,38.454,1.48
"Oxalosuccinate","bmse000251",6,38.2644,1.54
"Oxalosuccinate","bmse000251",7,38.0683,1.39
"Oxalosuccinate","bmse000251",8,36.9355,3.83
"Oxalosuccinate","bmse000251",9,35.3007,1.19
"Oxalosuccinate","bmse000251",10,34.9692,1.16
"Oxalosuccinate","bmse000251",11,33.3147,5.48
"Oxalosuccinate","bmse000251",12,33.2611,6.95
"Oxalosuccinate","bmse000251",13,33.2048,12.5
"Oxalosuccinate","bmse000251",14,25.9719,1.99
"Salicylate","bmse000252",1,178.336,1.8
"Salicylate","bmse000252",2,162.3095,1.9
"Salicylate","bmse000252",3,136.7054,12.5
"Salicylate","bmse000252",4,133.2002,11.8
"Salicylate","bmse000252",5,122.0978,11.69
"Salicylate","bmse000252",6,120.713,2.32
"Salicylate","bmse000252",7,119.007,12.31
"dADP","bmse000253",1,158.1421,4.9
"dADP","bmse000253",2,155.3005,9.18
"dADP","bmse000253",3,151.2181,2.23
"dADP","bmse000253",4,142.6258,3.6
"dADP","bmse000253",5,121.1832,1.88
"dADP","bmse000253",6,88.4189,5.03
"dADP","bmse000253",7,88.3329,5.02
"dADP","bmse000253",8,86.1412,10.03
"dADP","bmse000253",9,73.3197,12.5
"dADP","bmse000253",10,67.3652,4.1
"dADP","bmse000253",11,67.3129,3.98
"dADP","bmse000253",12,41.5514,9.81
"D_Fructose_1_phosphate","bmse000254",1,100.8301,3.74
"D_Fructose_1_phosphate","bmse000254",2,100.7578,3.97
"D_Fructose_1_phosphate","bmse000254",3,83.1443,1.21
"D_Fructose_1_phosphate","bmse000254",4,78.79,1.8
"D_Fructose_1_phosphate","bmse000254",5,76.8304,1.21
"D_Fructose_1_phosphate","bmse000254",6,72.0493,12.5
"D_Fructose_1_phosphate","bmse000254",7,71.8351,11.69
"D_Fructose_1_phosphate","bmse000254",8,70.5098,12.35
"D_Fructose_1_phosphate","bmse000254",9,68.9967,5.19
"D_Fructose_1_phosphate","bmse000254",10,68.9492,5.25
"D_Fructose_1_phosphate","bmse000254",11,66.0887,9.73
"D_Fructose_1_phosphate","bmse000254",12,64.969,2.12
"D_Fructose_1_phosphate","bmse000254",13,64.1264,1.29
"ITP","bmse000255",1,161.4399,4.25
"ITP","bmse000255",2,151.5943,2.62
"ITP","bmse000255",3,149.0201,9.65
"ITP","bmse000255",4,142.5226,5.74
"ITP","bmse000255",5,126.3562,2.24
"ITP","bmse000255",6,90.276,1.56
"ITP","bmse000255",7,89.9312,10.81
"ITP","bmse000255",8,86.8306,5.65
"ITP","bmse000255",9,86.7415,5.81
"ITP","bmse000255",10,77.2254,2.18
"ITP","bmse000255",11,77.1273,12.5
"ITP","bmse000255",12,72.8596,11.68
"ITP","bmse000255",13,72.5243,2.14
"ITP","bmse000255",14,67.7479,4.35
"ITP","bmse000255",15,67.695,4.23
"Formaldehyde","bmse000256",1,84.4358,12.5
"FMN","bmse000257",1,163.2526,6.78
"FMN","bmse000257",2,160.3175,7.33
"FMN","bmse000257",3,153.429,6.6
"FMN","bmse000257",4,152.3129,4.11
"FMN","bmse000257",5,142.1584,7.18
"FMN","bmse000257",6,136.6282,6.86
"FMN","bmse000257",7,136.1877,6.82
"FMN","bmse000257",8,134.1083,4
"FMN","bmse000257",9,132.8224,4.98
"FMN","bmse000257",10,119.7064,4.78
"FMN","bmse000257",11,75.2209,6.14
"FMN","bmse000257",12,74.4868,3.9
"FMN","bmse000257",13,74.4237,3.92
"FMN","bmse000257",14,72.0087,6.36
"FMN","bmse000257",15,67.8012,3.52
"FMN","bmse000257",16,50.1474,2.93
"FMN","bmse000257",17,23.466,11.62
"FMN","bmse000257",18,21.3437,12.5
"Glycolaldehyde","bmse000258",1,92.374,9.81
"Glycolaldehyde","bmse000258",2,67.1623,12.5
"4_Hydroxybenzaldehyde","bmse000259",1,197.0798,3.76
"4_Hydroxybenzaldehyde","bmse000259",2,136.1538,9.71
"4_Hydroxybenzaldehyde","bmse000259",3,129.545,1.03
"4_Hydroxybenzaldehyde","bmse000259",4,119.8609,12.5
"Nicotinamide_D_ribonucleotide","bmse000260",1,175.8236,3.35
"Nicotinamide_D_ribonucleotide","bmse000260",2,141.0654,10.52
"Nicotinamide_D_ribonucleotide","bmse000260",3,127.6138,9.12
"Nicotinamide_D_ribonucleotide","bmse000260",4,108.182,10.66
"Nicotinamide_D_ribonucleotide","bmse000260",5,103.4044,6.52
"Nicotinamide_D_ribonucleotide","bmse000260",6,103.1839,1.61
"Nicotinamide_D_ribonucleotide","bmse000260",7,97.6396,11.48
"Nicotinamide_D_ribonucleotide","bmse000260",8,85.9422,6.34
"Nicotinamide_D_ribonucleotide","bmse000260",9,85.8555,6.04
"Nicotinamide_D_ribonucleotide","bmse000260",10,80.4925,1.81
"Nicotinamide_D_ribonucleotide","bmse000260",11,74.2063,1.79
"Nicotinamide_D_ribonucleotide","bmse000260",12,73.4952,12.5
"Nicotinamide_D_ribonucleotide","bmse000260",13,73.3372,12.21
"Nicotinamide_D_ribonucleotide","bmse000260",14,66.7617,5.06
"Nicotinamide_D_ribonucleotide","bmse000260",15,66.7167,4.78
"Nicotinamide_D_ribonucleotide","bmse000260",16,24.6964,9.6
"Acetyl_phosphate","bmse000261",1,175.0096,3.44
"Acetyl_phosphate","bmse000261",2,25.9801,10.24
"Acetyl_phosphate","bmse000261",3,24.7883,12.5
"Acetyl_phosphate","bmse000261",4,24.7425,11.1
"3_4_Hydroxyphenyl_pyruvate","bmse000262",1,157.3242,1.3
"3_4_Hydroxyphenyl_pyruvate","bmse000262",2,133.865,7.91
"3_4_Hydroxyphenyl_pyruvate","bmse000262",3,118.3826,12.5
"3_4_Hydroxyphenyl_pyruvate","bmse000262",4,117.7478,1.45
"NADP","bmse000263",1,167.8496,4.47
"NADP","bmse000263",2,158.1147,5.39
"NADP","bmse000263",3,155.428,9.01
"NADP","bmse000263",4,151.6757,5.76
"NADP","bmse000263",5,148.3745,7.75
"NADP","bmse000263",6,145.0167,6.29
"NADP","bmse000263",7,142.8886,8.29
"NADP","bmse000263",8,142.5477,5.92
"NADP","bmse000263",9,136.304,8.28
"NADP","bmse000263",10,131.3453,8.51
"NADP","bmse000263",11,121.1612,3.82
"NADP","bmse000263",12,102.729,11.11
"NADP","bmse000263",13,89.8221,5.86
"NADP","bmse000263",14,89.7336,5.64
"NADP","bmse000263",15,89.2538,5.26
"NADP","bmse000263",16,89.1719,5.28
"NADP","bmse000263",17,85.7472,5.48
"NADP","bmse000263",18,85.6577,5.52
"NADP","bmse000263",19,80.3221,12.5
"NADP","bmse000263",20,78.7636,5.55
"NADP","bmse000263",21,78.722,5.71
"NADP","bmse000263",22,73.3731,12.23
"NADP","bmse000263",23,72.7335,7.06
"NADP","bmse000263",24,68.2193,4.11
"NADP","bmse000263",25,67.6754,4.43
"NADP","bmse000263",26,57.0544,1.98
"4_Nitrophenyl_phosphate","bmse000264",1,163.0405,1.08
"4_Nitrophenyl_phosphate","bmse000264",2,144.5179,1.04
"4_Nitrophenyl_phosphate","bmse000264",3,128.4131,12.5
"4_Nitrophenyl_phosphate","bmse000264",4,122.6671,7.06
"4_Nitrophenyl_phosphate","bmse000264",5,122.6148,7.04
"4_Nitrocatechol","bmse000265",1,164.1278,1.69
"4_Nitrocatechol","bmse000265",2,148.5107,2.32
"4_Nitrocatechol","bmse000265",3,138.4594,1.3
"4_Nitrocatechol","bmse000265",4,122.9045,11.12
"4_Nitrocatechol","bmse000265",5,118.6529,12.08
"4_Nitrocatechol","bmse000265",6,112.45,12.5
"UDP","bmse000266",1,169.0888,5
"UDP","bmse000266",2,154.545,3.74
"UDP","bmse000266",3,144.5243,8.52
"UDP","bmse000266",4,105.234,10.35
"UDP","bmse000266",5,91.4445,11.2
"UDP","bmse000266",6,85.9024,5.62
"UDP","bmse000266",7,85.8136,5.66
"UDP","bmse000266",8,76.5959,12.5
"UDP","bmse000266",9,71.8259,11.92
"UDP","bmse000266",10,66.8315,4.4
"UDP","bmse000266",11,66.7792,4.54
"Formamide","bmse000267",1,169.4492,12.5
"R_Lactate","bmse000269",1,185.265,2.92
"R_Lactate","bmse000269",2,71.1978,10.49
"R_Lactate","bmse000269",3,22.7641,12.5
"GDP","bmse000270",1,161.6068,4.89
"GDP","bmse000270",2,156.6326,5.27
"GDP","bmse000270",3,154.1538,4.67
"GDP","bmse000270",4,140.2801,1.14
"GDP","bmse000270",5,140.1096,6.84
"GDP","bmse000270",6,118.7579,3.69
"GDP","bmse000270",7,89.8065,11.14
"GDP","bmse000270",8,86.2198,5.66
"GDP","bmse000270",9,86.132,5.77
"GDP","bmse000270",10,76.7534,12.5
"GDP","bmse000270",11,72.5131,12.28
"GDP","bmse000270",12,67.1729,4.45
"GDP","bmse000270",13,67.1215,4.26
"CoA","bmse000271",1,177.6817,2.7
"CoA","bmse000271",2,177.4294,8.2
"CoA","bmse000271",3,176.8233,2.08
"CoA","bmse000271",4,176.7106,6.6
"CoA","bmse000271",5,158.389,5.21
"CoA","bmse000271",6,155.6654,8.04
"CoA","bmse000271",7,155.5753,5.97
"CoA","bmse000271",8,152.1398,5.55
"CoA","bmse000271",9,152.0219,2.76
"CoA","bmse000271",10,142.9347,4.88
"CoA","bmse000271",11,142.6212,6.68
"CoA","bmse000271",12,121.3186,3.76
"CoA","bmse000271",13,89.3885,6.08
"CoA","bmse000271",14,89.1901,9.09
"CoA","bmse000271",15,87.3585,1.54
"CoA","bmse000271",16,87.3087,1.85
"CoA","bmse000271",17,87.2237,1.74
"CoA","bmse000271",18,86.8498,2.3
"CoA","bmse000271",19,86.7595,2.57
"CoA","bmse000271",20,85.3884,1.1
"CoA","bmse000271",21,79.6453,1.28
"CoA","bmse000271",22,79.1396,1.19
"CoA","bmse000271",23,78.2226,1.22
"CoA","bmse000271",24,77.5422,4.25
"CoA","bmse000271",25,77.2177,3.82
"CoA","bmse000271",26,77.1851,3.69
"CoA","bmse000271",27,76.9949,5.4
"CoA","bmse000271",28,76.9604,4.74
"CoA","bmse000271",29,76.7805,9.52
"CoA","bmse000271",30,76.4673,4.19
"CoA","bmse000271",31,76.4236,8.22
"CoA","bmse000271",32,76.3796,5.46
"CoA","bmse000271",33,74.5542,4.24
"CoA","bmse000271",34,74.4922,3.65
"CoA","bmse000271",35,73.328,2.2
"CoA","bmse000271",36,73.2765,1.86
"CoA","bmse000271",37,68.4744,3.83
"CoA","bmse000271",38,68.4222,3.88
"CoA","bmse000271",39,66.6691,2.47
"CoA","bmse000271",40,66.6238,2.86
"CoA","bmse000271",41,45.0428,4.93
"CoA","bmse000271",42,44.9976,11.76
"CoA","bmse000271",43,44.9048,1.18
"CoA","bmse000271",44,41.1259,2.81
"CoA","bmse000271",45,41.0359,6.14
"CoA","bmse000271",46,40.9558,6.01
"CoA","bmse000271",47,40.7593,1.76
"CoA","bmse000271",48,39.1263,1.74
"CoA","bmse000271",49,38.2973,1.72
"CoA","bmse000271",50,38.1621,9.87
"CoA","bmse000271",51,38.0817,9.25
"CoA","bmse000271",52,25.7997,12.5
"CoA","bmse000271",53,24.0869,1.45
"CoA","bmse000271",54,23.9984,3.96
"CoA","bmse000271",55,23.5128,8.93
"CoA","bmse000271",56,22.6789,1.36
"CoA","bmse000271",57,20.9419,3.81
"CoA","bmse000271",58,20.7819,9.63
"CoA","bmse000271",59,20.1012,1.78
"CDP","bmse000272",1,168.8761,4.9
"CDP","bmse000272",2,160.4002,4.39
"CDP","bmse000272",3,144.5698,1.09
"CDP","bmse000272",4,144.266,8.55
"CDP","bmse000272",5,99.3648,1.46
"CDP","bmse000272",6,99.2242,9.38
"CDP","bmse000272",7,92.2295,11.24
"CDP","bmse000272",8,91.8456,1.72
"CDP","bmse000272",9,85.3396,5.74
"CDP","bmse000272",10,85.2502,5.69
"CDP","bmse000272",11,77.0076,12.5
"CDP","bmse000272",12,72.3706,1.47
"CDP","bmse000272",13,71.4858,12.07
"CDP","bmse000272",14,66.6366,4.51
"CDP","bmse000272",15,66.5841,4.41
"D_Aspartate","bmse000273",1,180.3052,2.2
"D_Aspartate","bmse000273",2,177.0122,1.98
"D_Aspartate","bmse000273",3,54.9072,9.91
"D_Aspartate","bmse000273",4,39.2644,12.5
"Thiamin","bmse000274",1,171.726,5.58
"Thiamin","bmse000274",2,164.5163,3.11
"Thiamin","bmse000274",3,159.8969,10.99
"Thiamin","bmse000274",4,145.552,3.59
"Thiamin","bmse000274",5,138.7379,4.97
"Thiamin","bmse000274",6,107.1899,6.29
"Thiamin","bmse000274",7,63.1255,12.5
"Thiamin","bmse000274",8,53.7574,10.69
"Thiamin","bmse000274",9,31.9248,12.41
"Thiamin","bmse000274",10,26.7632,11.25
"Thiamin","bmse000274",11,13.8517,12.02
"D_Fructose_2_6_bisphosphate","bmse000275",1,106.8714,4.79
"D_Fructose_2_6_bisphosphate","bmse000275",2,106.8017,4.74
"D_Fructose_2_6_bisphosphate","bmse000275",3,82.9825,6.41
"D_Fructose_2_6_bisphosphate","bmse000275",4,82.912,6.28
"D_Fructose_2_6_bisphosphate","bmse000275",5,80.0513,6.58
"D_Fructose_2_6_bisphosphate","bmse000275",6,80.0052,6.39
"D_Fructose_2_6_bisphosphate","bmse000275",7,78.0543,12.5
"D_Fructose_2_6_bisphosphate","bmse000275",8,68.3553,5.53
"D_Fructose_2_6_bisphosphate","bmse000275",9,68.3079,5.71
"D_Fructose_2_6_bisphosphate","bmse000275",10,65.2002,7.1
"D_Fructose_2_6_bisphosphate","bmse000275",11,60.1397,1.11
"D_Fructose_2_6_bisphosphate","bmse000275",12,19.51,1.19
"Ethanolamine","bmse000276",1,60.3171,12.5
"Ethanolamine","bmse000276",2,43.9507,8.05
"CTP","bmse000277",1,168.8983,5.15
"CTP","bmse000277",2,160.5208,4.42
"CTP","bmse000277",3,144.2311,8.6
"CTP","bmse000277",4,99.3524,9.52
"CTP","bmse000277",5,91.8085,11.04
"CTP","bmse000277",6,85.501,5.68
"CTP","bmse000277",7,85.4107,5.57
"CTP","bmse000277",8,77.0203,1.35
"CTP","bmse000277",9,76.8989,12.5
"CTP","bmse000277",10,71.7933,11.89
"CTP","bmse000277",11,71.4631,1.06
"CTP","bmse000277",12,67.272,4.2
"CTP","bmse000277",13,67.2177,4.39
"D_Ribulose_5_phosphate","bmse000278",1,103.8241,7.82
"D_Ribulose_5_phosphate","bmse000278",2,98.9771,2.24
"D_Ribulose_5_phosphate","bmse000278",3,85.3023,1.6
"D_Ribulose_5_phosphate","bmse000278",4,84.6704,3.81
"D_Ribulose_5_phosphate","bmse000278",5,84.5875,4.13
"D_Ribulose_5_phosphate","bmse000278",6,78.03,9.99
"D_Ribulose_5_phosphate","bmse000278",7,73.4112,12.5
"D_Ribulose_5_phosphate","bmse000278",8,72.931,3.83
"D_Ribulose_5_phosphate","bmse000278",9,67.3547,5.39
"D_Ribulose_5_phosphate","bmse000278",10,67.3093,5.5
"D_Ribulose_5_phosphate","bmse000278",11,66.4813,2.3
"Urocanate","bmse000279",1,178.6198,2.5
"Urocanate","bmse000279",2,140.3626,11.29
"Urocanate","bmse000279",3,137.0776,2.14
"Urocanate","bmse000279",4,133.668,10.36
"Urocanate","bmse000279",5,124.4849,12.5
"Urocanate","bmse000279",6,123.9802,8.38
"UMP","bmse000280",1,169.0839,4.57
"UMP","bmse000280",2,154.6578,3.41
"UMP","bmse000280",3,144.8275,8.54
"UMP","bmse000280",4,105.3924,10.43
"UMP","bmse000280",5,91.006,11.31
"UMP","bmse000280",6,86.9204,5.97
"UMP","bmse000280",7,86.8326,6.05
"UMP","bmse000280",8,76.6643,12.5
"UMP","bmse000280",9,72.7729,12.16
"UMP","bmse000280",10,65.9126,4.79
"UMP","bmse000280",11,65.8681,4.9
"Nicotinamide","bmse000281",1,154.5266,12.5
"Nicotinamide","bmse000281",2,150.344,11.49
"Nicotinamide","bmse000281",3,139.1539,11.48
"Nicotinamide","bmse000281",4,131.9398,1.76
"Nicotinamide","bmse000281",5,126.9235,10.76
"DL_Alanine","bmse000282",1,178.5738,1.77
"DL_Alanine","bmse000282",2,53.2017,9.6
"DL_Alanine","bmse000282",3,18.85,12.5
"Orotate","bmse000283",1,104.064,12.5
"Benzonitrile","bmse000284",1,136.2019,8.6
"Benzonitrile","bmse000284",2,135.1116,12.5
"Benzonitrile","bmse000284",3,131.8912,12.48
"Choline","bmse000285",1,70.1479,3.39
"Choline","bmse000285",2,70.1177,3.59
"Choline","bmse000285",3,70.0875,3.34
"Choline","bmse000285",4,58.3089,8.06
"Choline","bmse000285",5,56.621,11.8
"Choline","bmse000285",6,56.5813,12.5
"Choline","bmse000285",7,56.542,12.01
"Acetophenone","bmse000286",1,136.8469,7.17
"Acetophenone","bmse000286",2,131.5104,12.5
"Acetophenone","bmse000286",3,131.2516,11.84
"Acetophenone","bmse000286",4,28.9711,3.47
"Pantothenate","bmse000287",1,183.0208,3.24
"Pantothenate","bmse000287",2,177.6531,4.02
"Pantothenate","bmse000287",3,78.4586,12.5
"Pantothenate","bmse000287",4,71.0985,10.81
"Pantothenate","bmse000287",5,41.2778,8.26
"Pantothenate","bmse000287",6,39.3779,10.45
"Pantothenate","bmse000287",7,38.8533,9.94
"Pantothenate","bmse000287",8,23.2349,9.96
"Pantothenate","bmse000287",9,21.8424,10.1
"Pyridoxine","bmse000288",1,163.4259,2.28
"Pyridoxine","bmse000288",2,146.9983,3.52
"Pyridoxine","bmse000288",3,141.4468,3.78
"Pyridoxine","bmse000288",4,138.1842,4.52
"Pyridoxine","bmse000288",5,127.4073,3.84
"Pyridoxine","bmse000288",6,61.4656,12.5
"Pyridoxine","bmse000288",7,58.6687,10.33
"Pyridoxine","bmse000288",8,18.2013,8.23
"S_Adenosyl_L_homocysteine","bmse000289",1,176.8876,4.61
"S_Adenosyl_L_homocysteine","bmse000289",2,158.3878,3.44
"S_Adenosyl_L_homocysteine","bmse000289",3,155.6615,9.39
"S_Adenosyl_L_homocysteine","bmse000289",4,151.6956,3.2
"S_Adenosyl_L_homocysteine","bmse000289",5,142.814,7.91
"S_Adenosyl_L_homocysteine","bmse000289",6,121.5644,2.04
"S_Adenosyl_L_homocysteine","bmse000289",7,90.125,10.63
"S_Adenosyl_L_homocysteine","bmse000289",8,90.0104,2.04
"S_Adenosyl_L_homocysteine","bmse000289",9,86.1029,11.9
"S_Adenosyl_L_homocysteine","bmse000289",10,75.9715,11.38
"S_Adenosyl_L_homocysteine","bmse000289",11,75.0004,12.5
"S_Adenosyl_L_homocysteine","bmse000289",12,56.4364,10.43
"S_Adenosyl_L_homocysteine","bmse000289",13,36.2065,8.4
"S_Adenosyl_L_homocysteine","bmse000289",14,33.1203,8.91
"S_Adenosyl_L_homocysteine","bmse000289",15,30.4627,9.14
"Phenol","bmse000290",1,132.703,11.87
"Phenol","bmse000290",2,123.3534,6.56
"Phenol","bmse000290",3,118.0886,12.5
"Selenomethionine","bmse000291",1,176.8764,2.7
"Selenomethionine","bmse000291",2,57.3265,11.71
"Selenomethionine","bmse000291",3,33.5106,11.73
"Selenomethionine","bmse000291",4,21.8408,12.5
"Selenomethionine","bmse000291",5,5.875,6.96
"UDPglucuronate","bmse000292",1,179.1513,4.63
"UDPglucuronate","bmse000292",2,169.0242,5.14
"UDPglucuronate","bmse000292",3,154.6097,3.93
"UDPglucuronate","bmse000292",4,144.2873,8.42
"UDPglucuronate","bmse000292",5,105.4108,10.1
"UDPglucuronate","bmse000292",6,98.1166,5.83
"UDPglucuronate","bmse000292",7,98.0506,5.78
"UDPglucuronate","bmse000292",8,91.0126,10.69
"UDPglucuronate","bmse000292",9,86.0368,5.52
"UDPglucuronate","bmse000292",10,85.9455,5.68
"UDPglucuronate","bmse000292",11,76.498,12.5
"UDPglucuronate","bmse000292",12,75.7603,10.99
"UDPglucuronate","bmse000292",13,75.2986,10.18
"UDPglucuronate","bmse000292",14,74.5675,11.19
"UDPglucuronate","bmse000292",15,74.1227,5.66
"UDPglucuronate","bmse000292",16,74.0395,5.54
"UDPglucuronate","bmse000292",17,72.367,11.96
"UDPglucuronate","bmse000292",18,67.7081,4.35
"UDPglucuronate","bmse000292",19,67.6532,4.54
"UDPglucuronate","bmse000292",20,60.142,1.01
"UDPglucuronate","bmse000292",21,19.5053,1.3
"Hydroquinone","bmse000293",1,151.6552,1.09
"Hydroquinone","bmse000293",2,119.0705,12.5
"Methanol","bmse000294",1,51.571,12.5
"Methanol","bmse000294",2,8.3835,1.29
"UTP","bmse000295",1,169.0527,4.84
"UTP","bmse000295",2,154.6305,3.56
"UTP","bmse000295",3,144.4685,8.62
"UTP","bmse000295",4,105.3558,9.9
"UTP","bmse000295",5,90.9803,10.91
"UTP","bmse000295",6,86.0794,5.45
"UTP","bmse000295",7,85.9897,5.66
"UTP","bmse000295",8,76.4645,12.5
"UTP","bmse000295",9,72.1667,11.59
"UTP","bmse000295",10,67.5196,4.26
"UTP","bmse000295",11,67.4644,4.32
"UTP","bmse000295",12,60.1427,1.1
"dTMP","bmse000296",1,169.2356,1.23
"dTMP","bmse000296",2,160.5265,1.29
"dTMP","bmse000296",3,154.4333,1.31
"dTMP","bmse000296",4,140.1216,3.35
"dTMP","bmse000296",5,114.2982,2.37
"dTMP","bmse000296",6,88.3382,2.04
"dTMP","bmse000296",7,88.2519,1.87
"dTMP","bmse000296",8,87.8416,3.66
"dTMP","bmse000296",9,73.7576,4.03
"dTMP","bmse000296",10,69.7071,3.43
"dTMP","bmse000296",11,69.6331,3.39
"dTMP","bmse000296",12,68.674,6.88
"dTMP","bmse000296",13,67.0077,1.54
"dTMP","bmse000296",14,66.9519,1.6
"dTMP","bmse000296",15,57.1741,5.62
"dTMP","bmse000296",16,50.7174,6.42
"dTMP","bmse000296",17,47.4494,6.5
"dTMP","bmse000296",18,41.3959,3.4
"dTMP","bmse000296",19,35.6124,12.5
"dTMP","bmse000296",20,27.378,11.97
"dTMP","bmse000296",21,27.3297,7.39
"dTMP","bmse000296",22,14.3887,4.03
"Ethanol","bmse000297",1,60.1347,10.57
"Ethanol","bmse000297",2,19.4922,12.5
"D_Glyceraldehyde","bmse000298",1,92.4619,11.47
"D_Glyceraldehyde","bmse000298",2,76.7643,11.97
"D_Glyceraldehyde","bmse000298",3,67.5383,2.02
"D_Glyceraldehyde","bmse000298",4,64.6757,12.5
"Folate","bmse000299",1,185.1947,10.02
"Folate","bmse000299",2,182.1813,8.33
"Folate","bmse000299",3,171.6618,6.23
"Folate","bmse000299",4,167.4706,1.1
"Folate","bmse000299",5,156.8561,3.58
"Folate","bmse000299",6,154.9662,1.2
"Folate","bmse000299",7,152.4534,5.63
"Folate","bmse000299",8,150.9644,2.57
"Folate","bmse000299",9,150.4027,4.37
"Folate","bmse000299",10,131.6987,1.03
"Folate","bmse000299",11,131.3015,7.38
"Folate","bmse000299",12,129.0129,4.84
"Folate","bmse000299",13,123.0856,5.17
"Folate","bmse000299",14,113.9108,6.41
"Folate","bmse000299",15,58.6333,8.76
"Folate","bmse000299",16,47.4239,2.98
"Folate","bmse000299",17,37.0651,12.5
"Folate","bmse000299",18,31.1742,7.87
"Benzoate","bmse000300",1,138.9121,1.04
"Benzoate","bmse000300",2,133.9731,7.03
"Benzoate","bmse000300",3,131.4957,12.46
"Benzoate","bmse000300",4,131.0181,12.5
"1_3_diaminopropane","bmse000001",1,39.3182,12.5
"1_3_diaminopropane","bmse000001",2,27.6038,6.62
"2_3_diphospho_D_glyceric_acid","bmse000002",1,180.6244,6.14
"2_3_diphospho_D_glyceric_acid","bmse000002",2,77.8926,9.81
"2_3_diphospho_D_glyceric_acid","bmse000002",3,77.8397,8.95
"2_3_diphospho_D_glyceric_acid","bmse000002",4,77.8017,8.58
"2_3_diphospho_D_glyceric_acid","bmse000002",5,77.7593,8.04
"2_3_diphospho_D_glyceric_acid","bmse000002",6,69.2089,12.5
"2_deoxyguanosine","bmse000003",1,140.4376,7.32
"2_deoxyguanosine","bmse000003",2,89.8652,7.61
"2_deoxyguanosine","bmse000003",3,86.6745,9.57
"2_deoxyguanosine","bmse000003",4,73.9059,12.5
"2_deoxyguanosine","bmse000003",5,64.3305,8.45
"2_deoxyguanosine","bmse000003",6,41.3976,8.86
"adenine","bmse000060",1,153.1875,0.8
"adenine","bmse000060",2,151.829,1.02
"adenine","bmse000060",3,147.5748,11.47
"adenine","bmse000060",4,146.3944,12.5
"adenine","bmse000060",5,118.324,0.66
"adenosine","bmse000061",1,155.2065,8.59
"adenosine","bmse000061",2,151.091,3.13
"adenosine","bmse000061",3,143.2708,6.58
"adenosine","bmse000061",4,91.0332,10.74
"adenosine","bmse000061",5,88.5401,11.36
"adenosine","bmse000061",6,76.3929,12.5
"adenosine","bmse000061",7,73.3525,11.01
"adenosine","bmse000061",8,64.2162,10.03
"adenosine","bmse000061",9,133.0864,1.07
"adonitol","bmse000062",1,74.8925,6.76
"adonitol","bmse000062",2,74.8008,11.44
"adonitol","bmse000062",3,65.0705,12.5
"ADP","bmse000004",1,158.1533,6.68
"ADP","bmse000004",2,155.4207,12.01
"ADP","bmse000004",3,151.6456,1.97
"ADP","bmse000004",4,151.5495,1.81
"ADP","bmse000004",5,142.8127,2.95
"ADP","bmse000004",6,142.5832,3.64
"ADP","bmse000004",7,121.1747,1.72
"ADP","bmse000004",8,89.778,10.17
"ADP","bmse000004",9,89.5551,6.01
"ADP","bmse000004",10,87.4621,3.15
"ADP","bmse000004",11,87.3746,3.43
"ADP","bmse000004",12,86.4858,4.81
"ADP","bmse000004",13,86.3979,5.28
"ADP","bmse000004",14,77.2288,6.53
"ADP","bmse000004",15,77.0622,12.5
"ADP","bmse000004",16,73.4056,6.43
"ADP","bmse000004",17,72.6057,12.04
"ADP","bmse000004",18,67.1794,3.82
"ADP","bmse000004",19,67.1297,3.91
"ADP","bmse000004",20,66.2518,2.61
"ADP","bmse000004",21,66.2091,2.71
"agmatine","bmse000063",1,159.5178,1.15
"agmatine","bmse000063",2,43.1542,9.26
"agmatine","bmse000063",3,41.7324,8.53
"agmatine","bmse000063",4,27.7024,11.07
"agmatine","bmse000063",5,26.715,12.5
"D_allose","bmse000008",1,96.1036,10.7
"D_allose","bmse000008",2,95.5286,1.55
"D_allose","bmse000008",3,76.2932,11.82
"D_allose","bmse000008",4,74.3841,1.58
"D_allose","bmse000008",5,73.9304,11.03
"D_allose","bmse000008",6,73.8513,12.02
"D_allose","bmse000008",7,69.7109,1.21
"D_allose","bmse000008",8,69.5516,1.22
"D_allose","bmse000008",9,69.4757,12.5
"D_allose","bmse000008",10,68.7507,2.03
"D_allose","bmse000008",11,63.8517,10.79
"D_allose","bmse000008",12,63.3663,1.24
"D_fructose","bmse000010",1,100.7878,2.8
"D_fructose","bmse000010",2,83.3844,4
"D_fructose","bmse000010",3,78.7409,1.35
"D_fructose","bmse000010",4,78.0833,3.23
"D_fructose","bmse000010",5,77.1431,3.97
"D_fructose","bmse000010",6,72.3808,12.5
"D_fructose","bmse000010",7,71.9017,10.92
"D_fructose","bmse000010",8,70.2559,10.72
"D_fructose","bmse000010",9,66.587,11.06
"D_fructose","bmse000010",10,66.0735,12.1
"D_fructose","bmse000010",11,65.3682,3.85
"D_fructose","bmse000010",12,65.074,4.07
"D_galactose","bmse000013",1,99.1714,10.5
"D_galactose","bmse000013",2,94.9986,5.59
"D_galactose","bmse000013",3,77.8681,12.5
"D_galactose","bmse000013",4,75.5121,11.36
"D_galactose","bmse000013",5,74.5893,11.5
"D_galactose","bmse000013",6,73.1956,6.08
"D_galactose","bmse000013",7,72.0185,5.93
"D_galactose","bmse000013",8,71.879,5.94
"D_galactose","bmse000013",9,71.4595,12.5
"D_galactose","bmse000013",10,71.0589,5.22
"D_galactose","bmse000013",11,63.8951,5.64
"D_galactose","bmse000013",12,63.6909,11.96
"D_glucose","bmse000015",1,98.6177,12.18
"D_glucose","bmse000015",2,94.8017,7.46
"D_glucose","bmse000015",3,78.6602,12.5
"D_glucose","bmse000015",4,78.46,12.38
"D_glucose","bmse000015",5,76.8429,11.94
"D_glucose","bmse000015",6,75.4621,6.95
"D_glucose","bmse000015",7,74.1868,7.96
"D_glucose","bmse000015",8,74.1521,7.85
"D_glucose","bmse000015",9,72.3476,7.59
"D_glucose","bmse000015",10,72.3041,12.25
"D_glucose","bmse000015",11,63.4496,11.55
"D_glucose","bmse000015",12,63.2877,6.43
"D_mannose","bmse000018",1,96.747,10.66
"D_mannose","bmse000018",2,96.3827,5.27
"D_mannose","bmse000018",3,78.8753,4.9
"D_mannose","bmse000018",4,75.7486,5.48
"D_mannose","bmse000018",5,75.1093,11.15
"D_mannose","bmse000018",6,73.9252,5.51
"D_mannose","bmse000018",7,73.3921,10.59
"D_mannose","bmse000018",8,72.9329,10.68
"D_mannose","bmse000018",9,69.5495,10.82
"D_mannose","bmse000018",10,69.3058,5.88
"D_mannose","bmse000018",11,63.666,12.5
"D_psicose","bmse000020",1,105.9793,2.62
"D_psicose","bmse000020",2,101.1482,2.31
"D_psicose","bmse000020",3,85.4184,12.5
"D_psicose","bmse000020",4,77.3405,2.67
"D_psicose","bmse000020",5,74.437,5.54
"D_psicose","bmse000020",6,73.7152,3.61
"D_psicose","bmse000020",7,73.0555,10.59
"D_psicose","bmse000020",8,73.0326,11.16
"D_psicose","bmse000020",9,72.9119,5.49
"D_psicose","bmse000020",10,71.7174,6.08
"D_psicose","bmse000020",11,68.562,7.08
"D_psicose","bmse000020",12,68.1859,7.9
"D_psicose","bmse000020",13,67.7838,6.98
"D_psicose","bmse000020",14,66.8844,6.45
"D_psicose","bmse000020",15,66.6778,4.36
"D_psicose","bmse000020",16,65.9583,9.93
"D_psicose","bmse000020",17,65.7568,6.2
"D_psicose","bmse000020",18,65.5148,3.26
"D_psicose","bmse000020",19,65.0727,3.8
"D_psicose","bmse000020",20,64.029,7.13
"D_psicose","bmse000020",21,60.6736,5.34
"D_sorbose","bmse000022",1,100.4423,2.8
"D_sorbose","bmse000022",2,76.5308,8.63
"D_sorbose","bmse000022",3,73.0506,8.72
"D_sorbose","bmse000022",4,72.1197,12.5
"D_sorbose","bmse000022",5,66.1492,9.88
"D_sorbose","bmse000022",6,64.4696,11
"D_tagatose","bmse000023",1,100.9098,3.49
"D_tagatose","bmse000023",2,73.6229,12.5
"D_tagatose","bmse000023",3,72.484,10.38
"D_tagatose","bmse000023",4,71.9743,2.2
"D_tagatose","bmse000023",5,69.0595,10.53
"D_tagatose","bmse000023",6,66.5918,10.06
"D_tagatose","bmse000023",7,66.403,1.92
"D_tagatose","bmse000023",8,66.1917,1.73
"D_tagatose","bmse000023",9,64.9495,7.98
"D_tagatose","bmse000023",10,62.8345,1.69
"D_xylose","bmse000026",1,99.3304,11.78
"D_xylose","bmse000026",2,94.9405,6.48
"D_xylose","bmse000026",3,78.526,10.11
"D_xylose","bmse000026",4,76.7418,12.5
"D_xylose","bmse000026",5,75.5229,5.77
"D_xylose","bmse000026",6,74.1661,6.42
"D_xylose","bmse000026",7,72.1118,6.54
"D_xylose","bmse000026",8,71.9378,12.28
"D_xylose","bmse000026",9,67.899,10.25
"D_xylose","bmse000026",10,63.6456,5.21
"alpha_ketoglutaric_acid","bmse000064",1,184.1528,2.07
"alpha_ketoglutaric_acid","bmse000064",2,38.5723,12.5
"alpha_ketoglutaric_acid","bmse000064",3,33.3219,9.83
"alpha_lactose","bmse000065",1,105.6382,8.25
"alpha_lactose","bmse000065",2,98.4725,7.33
"alpha_lactose","bmse000065",3,94.539,4.05
"alpha_lactose","bmse000065",4,81.1636,3.89
"alpha_lactose","bmse000065",5,81.0377,6.84
"alpha_lactose","bmse000065",6,78.0734,12.5
"alpha_lactose","bmse000065",7,77.522,7.34
"alpha_lactose","bmse000065",8,77.0808,7.32
"alpha_lactose","bmse000065",9,76.5296,7.28
"alpha_lactose","bmse000065",10,75.2407,11.24
"alpha_lactose","bmse000065",11,74.1286,4.28
"alpha_lactose","bmse000065",12,73.8715,4.75
"alpha_lactose","bmse000065",13,73.6835,9.31
"alpha_lactose","bmse000065",14,72.8271,3.84
"alpha_lactose","bmse000065",15,71.272,8.2
"alpha_lactose","bmse000065",16,63.7524,7.27
"alpha_lactose","bmse000065",17,62.8108,4.95
"alpha_lactose","bmse000065",18,62.6765,3.11
"4_aminobenzoic_acid","bmse000066",1,133.5667,12.5
"4_aminobenzoic_acid","bmse000066",2,128.9442,1.1
"4_aminobenzoic_acid","bmse000066",3,117.8119,11.36
"AMP","bmse000005",1,158.1415,3.52
"AMP","bmse000005",2,155.4083,9.41
"AMP","bmse000005",3,151.6344,4.45
"AMP","bmse000005",4,142.8031,7.78
"AMP","bmse000005",5,121.1486,2.72
"AMP","bmse000005",6,89.5563,11.53
"AMP","bmse000005",7,87.4594,6.04
"AMP","bmse000005",8,87.3722,6.06
"AMP","bmse000005",9,77.2299,12.5
"AMP","bmse000005",10,73.4036,12.24
"AMP","bmse000005",11,66.25,4.83
"AMP","bmse000005",12,66.2055,5.13
"anthranilic_acid","bmse000067",1,150.2702,2.1
"anthranilic_acid","bmse000067",2,134.7227,10.28
"anthranilic_acid","bmse000067",3,133.6538,12.5
"anthranilic_acid","bmse000067",4,123.4956,1.99
"anthranilic_acid","bmse000067",5,120.6937,11.1
"anthranilic_acid","bmse000067",6,120.3926,11.42
"L_arabitol","bmse000068",1,73.609,12.5
"L_arabitol","bmse000068",2,73.1399,11.93
"L_arabitol","bmse000068",3,72.9514,12.49
"L_arabitol","bmse000068",4,65.7296,10.81
"L_arabitol","bmse000068",5,65.6383,9.86
"ATP","bmse000006",1,158.2621,4.05
"ATP","bmse000006",2,155.4997,9.32
"ATP","bmse000006",3,151.7848,3.62
"ATP","bmse000006",4,142.6155,7.12
"ATP","bmse000006",5,121.2616,2.51
"ATP","bmse000006",6,89.3634,10.94
"ATP","bmse000006",7,86.7432,5.75
"ATP","bmse000006",8,86.6543,5.65
"ATP","bmse000006",9,76.9481,12.5
"ATP","bmse000006",10,72.9427,11.75
"ATP","bmse000006",11,67.8017,4.32
"ATP","bmse000006",12,67.7473,4.42
"betaine","bmse000069",1,171.9654,1.21
"betaine","bmse000069",2,68.893,3.07
"betaine","bmse000069",3,68.8587,3.29
"betaine","bmse000069",4,68.8297,3.27
"betaine","bmse000069",5,56.0898,10.14
"betaine","bmse000069",6,56.0509,12.5
"betaine","bmse000069",7,56.0118,10.21
"betaine_aldehyde","bmse000070",1,87.5694,9.74
"betaine_aldehyde","bmse000070",2,56.9587,10.45
"betaine_aldehyde","bmse000070",3,56.9195,12.5
"betaine_aldehyde","bmse000070",4,56.8886,11.17
"cadaverine","bmse000072",1,41.871,11.66
"cadaverine","bmse000072",2,28.9617,12.5
"cadaverine","bmse000072",3,25.3762,5.64
"cAMP","bmse000071",1,158.0318,4.3
"cAMP","bmse000071",2,155.524,10.63
"cAMP","bmse000071",3,150.7719,4.62
"cAMP","bmse000071",4,142.3466,9.68
"cAMP","bmse000071",5,121.2041,3.29
"cAMP","bmse000071",6,94.2109,12.5
"cAMP","bmse000071",7,80.0206,6.2
"cAMP","bmse000071",8,79.9754,6.98
"cAMP","bmse000071",9,75.0214,7.05
"cAMP","bmse000071",10,74.9418,7.25
"cAMP","bmse000071",11,74.463,6.46
"cAMP","bmse000071",12,70.0836,5.58
"cAMP","bmse000071",13,70.0142,5.05
"L_canavanine","bmse000073",1,177.0117,3.9
"L_canavanine","bmse000073",2,161.2671,2
"L_canavanine","bmse000073",3,74.5403,11.99
"L_canavanine","bmse000073",4,55.2855,12.02
"L_canavanine","bmse000073",5,31.809,12.5
"D_carnitine","bmse000074",1,180.7779,2.25
"D_carnitine","bmse000074",2,72.8193,4.47
"D_carnitine","bmse000074",3,72.7942,3.83
"D_carnitine","bmse000074",4,66.791,9.37
"D_carnitine","bmse000074",5,56.8328,10.48
"D_carnitine","bmse000074",6,56.7941,12.5
"D_carnitine","bmse000074",7,56.7554,10.44
"D_carnitine","bmse000074",8,45.6802,6.79
"chorismic_acid","bmse000075",1,155.9825,4.51
"chorismic_acid","bmse000075",2,137.1007,3.63
"chorismic_acid","bmse000075",3,132.6303,11.7
"chorismic_acid","bmse000075",4,131.7674,9.54
"chorismic_acid","bmse000075",5,126.7891,9.9
"chorismic_acid","bmse000075",6,95.5643,8.84
"chorismic_acid","bmse000075",7,82.3153,12.5
"chorismic_acid","bmse000075",8,72.8256,12.45
"citrate","bmse000076",1,184.7215,1.13
"citrate","bmse000076",2,182.0353,2.11
"citrate","bmse000076",3,77.9249,1.44
"citrate","bmse000076",4,48.4023,12.5
"coumarin","bmse000077",1,163.4646,0.72
"coumarin","bmse000077",2,156.7265,1.12
"coumarin","bmse000077",3,146.1206,6.54
"coumarin","bmse000077",4,134.5133,12.5
"coumarin","bmse000077",5,130.5441,8.87
"coumarin","bmse000077",6,127.1083,11.93
"coumarin","bmse000077",7,121.5098,1.08
"coumarin","bmse000077",8,119.5804,6.82
"coumarin","bmse000077",9,119.3784,7.14
"creatine","bmse000078",1,177.3494,1.87
"creatine","bmse000078",2,56.549,12.5
"creatine","bmse000078",3,39.6249,7.16
"creatine_phosphate","bmse000079",1,177.5977,1.69
"creatine_phosphate","bmse000079",2,56.5658,12.5
"creatine_phosphate","bmse000079",3,39.5149,7.02
"dehydro_proline","bmse000080",1,174.9837,1.15
"dehydro_proline","bmse000080",2,128.3998,11.9
"dehydro_proline","bmse000080",3,128.1163,10.28
"dehydro_proline","bmse000080",4,71.129,8.12
"dehydro_proline","bmse000080",5,55.1054,12.5
"D_3_phosphoglyceric_acid","bmse000007",1,181.5589,4.18
"D_3_phosphoglyceric_acid","bmse000007",2,75.6758,11.64
"D_3_phosphoglyceric_acid","bmse000007",3,75.5997,9.71
"D_3_phosphoglyceric_acid","bmse000007",4,69.5144,10.45
"D_3_phosphoglyceric_acid","bmse000007",5,69.4639,12.5
"D_fructose_1_6_bisphosphate","bmse000011",1,107.7441,1.24
"D_fructose_1_6_bisphosphate","bmse000011",2,107.6859,1.45
"D_fructose_1_6_bisphosphate","bmse000011",3,103.7998,2.79
"D_fructose_1_6_bisphosphate","bmse000011",4,103.7169,2.58
"D_fructose_1_6_bisphosphate","bmse000011",5,84.7524,1.84
"D_fructose_1_6_bisphosphate","bmse000011",6,84.6734,1.8
"D_fructose_1_6_bisphosphate","bmse000011",7,84.1618,3.88
"D_fructose_1_6_bisphosphate","bmse000011",8,82.4331,4.33
"D_fructose_1_6_bisphosphate","bmse000011",9,82.3517,4.54
"D_fructose_1_6_bisphosphate","bmse000011",10,79.436,3.58
"D_fructose_1_6_bisphosphate","bmse000011",11,78.4857,12.5
"D_fructose_1_6_bisphosphate","bmse000011",12,76.8309,8.44
"D_fructose_1_6_bisphosphate","bmse000011",13,68.3534,4.96
"D_fructose_1_6_bisphosphate","bmse000011",14,67.3714,1.78
"D_fructose_1_6_bisphosphate","bmse000011",15,67.0519,6.07
"D_fructose_1_6_bisphosphate","bmse000011",16,67.0078,5.96
"D_fructose_1_6_bisphosphate","bmse000011",17,66.9036,2.2
"D_fructose_1_6_bisphosphate","bmse000011",18,66.8591,2.2
"D_fructose_6_phosphate","bmse000012",1,107.1352,1.18
"D_fructose_6_phosphate","bmse000012",2,104.1799,5.96
"D_fructose_6_phosphate","bmse000012",3,84.4579,2.69
"D_fructose_6_phosphate","bmse000012",4,83.1582,1.38
"D_fructose_6_phosphate","bmse000012",5,83.081,1.12
"D_fructose_6_phosphate","bmse000012",6,82.6592,6.1
"D_fructose_6_phosphate","bmse000012",7,82.5783,5.8
"D_fructose_6_phosphate","bmse000012",8,78.536,2.85
"D_fructose_6_phosphate","bmse000012",9,77.8697,12.5
"D_fructose_6_phosphate","bmse000012",10,77.0604,11.73
"D_fructose_6_phosphate","bmse000012",11,67.0498,5.65
"D_fructose_6_phosphate","bmse000012",12,67.0041,5.36
"D_fructose_6_phosphate","bmse000012",13,66.1661,1.42
"D_fructose_6_phosphate","bmse000012",14,65.5593,2.38
"D_fructose_6_phosphate","bmse000012",15,65.331,9.82
"D_glucosamine","bmse000014",1,96.4205,8.72
"D_glucosamine","bmse000014",2,92.2506,9.77
"D_glucosamine","bmse000014",3,78.8513,9.64
"D_glucosamine","bmse000014",4,75.5831,6.35
"D_glucosamine","bmse000014",5,74.3295,12.27
"D_glucosamine","bmse000014",6,72.756,10.13
"D_glucosamine","bmse000014",7,72.4003,6.63
"D_glucosamine","bmse000014",8,72.3164,12.5
"D_glucosamine","bmse000014",9,63.2588,6.09
"D_glucosamine","bmse000014",10,63.0618,8.38
"D_glucosamine","bmse000014",11,59.6201,8.02
"D_glucosamine","bmse000014",12,57.0959,11.82
"D_glucose_6_phosphate","bmse000016",1,98.7788,8.55
"D_glucose_6_phosphate","bmse000016",2,94.9276,4.89
"D_glucose_6_phosphate","bmse000016",3,78.1764,4.82
"D_glucose_6_phosphate","bmse000016",4,78.106,3.56
"D_glucose_6_phosphate","bmse000016",5,77.9455,6.69
"D_glucose_6_phosphate","bmse000016",6,76.9831,9.41
"D_glucose_6_phosphate","bmse000016",7,75.0341,3.92
"D_glucose_6_phosphate","bmse000016",8,74.314,4.27
"D_glucose_6_phosphate","bmse000016",9,73.8171,2.12
"D_glucose_6_phosphate","bmse000016",10,73.7484,2.83
"D_glucose_6_phosphate","bmse000016",11,71.7635,12.5
"D_glucose_6_phosphate","bmse000016",12,65.5737,3.84
"D_glucose_6_phosphate","bmse000016",13,65.5308,3.24
"D_glucose_6_phosphate","bmse000016",14,65.4799,2.31
"D_maltose","bmse000017",1,102.3099,6.16
"D_maltose","bmse000017",2,102.2275,9.38
"D_maltose","bmse000017",3,98.4704,10.34
"D_maltose","bmse000017",4,94.5912,6.33
"D_maltose","bmse000017",5,79.5285,5.17
"D_maltose","bmse000017",6,79.3217,8.47
"D_maltose","bmse000017",7,78.9276,9.15
"D_maltose","bmse000017",8,77.2648,10.83
"D_maltose","bmse000017",9,76.7045,8.61
"D_maltose","bmse000017",10,75.9471,5.48
"D_maltose","bmse000017",11,75.5584,7.84
"D_maltose","bmse000017",12,75.5345,10.55
"D_maltose","bmse000017",13,75.3859,9.92
"D_maltose","bmse000017",14,74.4492,5.89
"D_maltose","bmse000017",15,74.3558,8.17
"D_maltose","bmse000017",16,73.9924,5.77
"D_maltose","bmse000017",17,72.6486,6.16
"D_maltose","bmse000017",18,72.0198,8.44
"D_maltose","bmse000017",19,63.4361,6.09
"D_maltose","bmse000017",20,63.2871,4.41
"D_maltose","bmse000017",21,63.1596,12.5
"D_ornithine","bmse000019",1,56.8208,12.5
"D_ornithine","bmse000019",2,41.5722,10.12
"D_ornithine","bmse000019",3,30.1825,12.11
"D_ornithine","bmse000019",4,25.4604,8.77
"D_threo_isocitric_acid","bmse000025",1,183.683,6.79
"D_threo_isocitric_acid","bmse000025",2,182.958,3.11
"D_threo_isocitric_acid","bmse000025",3,76.3916,11.16
"D_threo_isocitric_acid","bmse000025",4,51.8047,12.5
"D_threo_isocitric_acid","bmse000025",5,40.3285,10.98
"D_xylulose","bmse000027",1,108.4502,1.01
"D_xylulose","bmse000027",2,105.6511,3.08
"D_xylulose","bmse000027",3,83.18,3.1
"D_xylulose","bmse000027",4,78.9065,11.61
"D_xylulose","bmse000027",5,78.5426,3.96
"D_xylulose","bmse000027",6,78.011,2.93
"D_xylulose","bmse000027",7,77.5565,9.89
"D_xylulose","bmse000027",8,74.6749,2.45
"D_xylulose","bmse000027",9,74.6163,2.47
"D_xylulose","bmse000027",10,72.5201,10.76
"D_xylulose","bmse000027",11,68.7345,3.03
"D_xylulose","bmse000027",12,65.6799,12.5
"D_xylulose","bmse000027",13,65.1062,3.07
"D_xylulose","bmse000027",14,64.5556,3.06
"fumaric_acid","bmse000083",1,177.424,1.91
"fumaric_acid","bmse000083",2,138.042,12.5
"gluconic_acid","bmse000084",1,181.3386,1.89
"gluconic_acid","bmse000084",2,76.7743,10.33
"gluconic_acid","bmse000084",3,75.2613,9.8
"gluconic_acid","bmse000084",4,73.8705,12.36
"gluconic_acid","bmse000084",5,73.6525,10.2
"gluconic_acid","bmse000084",6,65.308,12.5
"alpha_D_glucose_1_phosphate","bmse000086",1,96.3867,5.99
"alpha_D_glucose_1_phosphate","bmse000086",2,96.3335,6.2
"alpha_D_glucose_1_phosphate","bmse000086",3,75.8391,10.34
"alpha_D_glucose_1_phosphate","bmse000086",4,74.9392,5.94
"alpha_D_glucose_1_phosphate","bmse000086",5,74.871,6.51
"alpha_D_glucose_1_phosphate","bmse000086",6,74.7037,12.5
"alpha_D_glucose_1_phosphate","bmse000086",7,72.4482,11.49
"alpha_D_glucose_1_phosphate","bmse000086",8,63.3999,9.58
"alpha_D_glucose_1_6_bisphosphate","bmse000087",1,96.6014,6.13
"alpha_D_glucose_1_6_bisphosphate","bmse000087",2,96.5465,7.96
"alpha_D_glucose_1_6_bisphosphate","bmse000087",3,75.3449,11.03
"alpha_D_glucose_1_6_bisphosphate","bmse000087",4,75.0612,6.57
"alpha_D_glucose_1_6_bisphosphate","bmse000087",5,74.9873,7.68
"alpha_D_glucose_1_6_bisphosphate","bmse000087",6,74.3802,6.65
"alpha_D_glucose_1_6_bisphosphate","bmse000087",7,74.317,7.4
"alpha_D_glucose_1_6_bisphosphate","bmse000087",8,71.5781,12.5
"alpha_D_glucose_1_6_bisphosphate","bmse000087",9,65.3993,4.84
"alpha_D_glucose_1_6_bisphosphate","bmse000087",10,65.3536,5.06
"glycine","bmse000089",1,175.1557,1.97
"glycine","bmse000089",2,44.1252,12.5
"guanine","bmse000090",1,170.3632,9.04
"guanine","bmse000090",2,163.6535,12.5
"guanine","bmse000090",3,161.8796,11.9
"guanine","bmse000090",4,120.9619,9.12
"guanosine","bmse000091",1,170.5025,1.71
"guanosine","bmse000091",2,163.3657,1.47
"guanosine","bmse000091",3,153.5645,2.67
"guanosine","bmse000091",4,139.3656,9.14
"guanosine","bmse000091",5,121.0084,1.46
"guanosine","bmse000091",6,90.841,11.95
"guanosine","bmse000091",7,88.5938,12.21
"guanosine","bmse000091",8,75.8197,12.21
"guanosine","bmse000091",9,73.7609,12.5
"guanosine","bmse000091",10,64.5009,9.96
"4_hydroxybenzoic_acid","bmse000092",1,161.2131,1.26
"4_hydroxybenzoic_acid","bmse000092",2,133.942,12.5
"4_hydroxybenzoic_acid","bmse000092",3,130.8287,1.62
"4_hydroxybenzoic_acid","bmse000092",4,117.592,10.22
"trans_3_hydroxycinnamic_acid","bmse000093",1,178.4192,2.27
"trans_3_hydroxycinnamic_acid","bmse000093",2,158.5422,3.6
"trans_3_hydroxycinnamic_acid","bmse000093",3,143.1901,8.95
"trans_3_hydroxycinnamic_acid","bmse000093",4,139.6042,3.48
"trans_3_hydroxycinnamic_acid","bmse000093",5,133.0298,11.46
"trans_3_hydroxycinnamic_acid","bmse000093",6,127.174,8.41
"trans_3_hydroxycinnamic_acid","bmse000093",7,122.9365,12.5
"trans_3_hydroxycinnamic_acid","bmse000093",8,119.3249,10.36
"trans_3_hydroxycinnamic_acid","bmse000093",9,116.6163,10.36
"hypoxanthine","bmse000094",1,164.9523,1.17
"hypoxanthine","bmse000094",2,159.7264,2.08
"hypoxanthine","bmse000094",3,150.37,10.69
"hypoxanthine","bmse000094",4,149.1756,12.5
"hypoxanthine","bmse000094",5,123.2364,1.06
"imidazole","bmse000096",1,137.7708,3.03
"imidazole","bmse000096",2,123.4233,12.5
"indole","bmse000097",1,138.3981,1.25
"indole","bmse000097",2,130.4755,1.24
"indole","bmse000097",3,126.7831,8.65
"indole","bmse000097",4,124.6229,12.5
"indole","bmse000097",5,123.3758,10.66
"indole","bmse000097",6,122.4493,10.48
"indole","bmse000097",7,113.6756,9.74
"indole","bmse000097",8,105.2378,11.58
"inosine","bmse000098",1,151.078,2.3
"inosine","bmse000098",2,148.9185,8.98
"inosine","bmse000098",3,142.8874,7.4
"inosine","bmse000098",4,126.8411,1.65
"inosine","bmse000098",5,91.1086,8.08
"inosine","bmse000098",6,88.2694,11.43
"inosine","bmse000098",7,76.7759,12.5
"inosine","bmse000098",8,73.0828,10.32
"inosine","bmse000098",9,64.0173,8.72
"i_erythritol","bmse000095",1,74.6148,12.5
"i_erythritol","bmse000095",2,65.3077,8.45
"L_alanine","bmse000028",1,178.5574,1.16
"L_alanine","bmse000028",2,53.2035,9.48
"L_alanine","bmse000028",3,18.8465,12.5
"L_arginine","bmse000029",1,177.2125,3.21
"L_arginine","bmse000029",2,57.0216,10.14
"L_arginine","bmse000029",3,43.2011,12.5
"L_arginine","bmse000029",4,30.2885,11.19
"L_arginine","bmse000029",5,26.5758,9.54
"L_asparagine","bmse000030",1,177.1771,1.47
"L_asparagine","bmse000030",2,176.209,1.94
"L_asparagine","bmse000030",3,53.9932,12.5
"L_asparagine","bmse000030",4,37.2983,11.26
"L_aspartic_acid","bmse000031",1,180.297,3.41
"L_aspartic_acid","bmse000031",2,176.9954,2.67
"L_aspartic_acid","bmse000031",3,54.9142,11.68
"L_aspartic_acid","bmse000031",4,39.2604,12.5
"L_citrulline","bmse000032",1,177.3878,3.15
"L_citrulline","bmse000032",2,164.2805,1.25
"L_citrulline","bmse000032",3,57.2048,11.84
"L_citrulline","bmse000032",4,41.9551,1.88
"L_citrulline","bmse000032",5,30.4444,12.5
"L_citrulline","bmse000032",6,27.6682,7.93
"L_cystathionine","bmse000033",1,56.4392,8
"L_cystathionine","bmse000033",2,56.2614,10.81
"L_cystathionine","bmse000033",3,34.8058,9.84
"L_cystathionine","bmse000033",4,32.8913,9.2
"L_cystathionine","bmse000033",5,29.7625,12.5
"L_cysteine","bmse000034",1,58.731,9.48
"L_cysteine","bmse000034",2,27.687,12.5
"L_cystine","bmse000035",1,183.331,3.03
"L_cystine","bmse000035",2,57.5783,12.5
"L_cystine","bmse000035",3,46.0281,10.99
"L_fucose","bmse000036",1,98.936,11.78
"L_fucose","bmse000036",2,94.9206,4.76
"L_fucose","bmse000036",3,75.6252,9.59
"L_fucose","bmse000036",4,74.6014,4.86
"L_fucose","bmse000036",5,74.3627,10.92
"L_fucose","bmse000036",6,74.1543,8.8
"L_fucose","bmse000036",7,73.586,9.85
"L_fucose","bmse000036",8,71.9701,4.6
"L_fucose","bmse000036",9,70.7832,3.67
"L_fucose","bmse000036",10,69.0314,4.4
"L_fucose","bmse000036",11,18.2232,12.5
"L_glutamic_acid","bmse000037",1,184.0438,2.16
"L_glutamic_acid","bmse000037",2,177.297,1.79
"L_glutamic_acid","bmse000037",3,57.3356,12.29
"L_glutamic_acid","bmse000037",4,36.1753,9.58
"L_glutamic_acid","bmse000037",5,29.6742,12.5
"L_glutamine","bmse000038",1,180.3694,1.86
"L_glutamine","bmse000038",2,176.8264,2.47
"L_glutamine","bmse000038",3,56.8326,9.96
"L_glutamine","bmse000038",4,33.528,10.99
"L_glutamine","bmse000038",5,28.9528,12.5
"L_histidine","bmse000039",1,176.6511,1.83
"L_histidine","bmse000039",2,138.9728,9.16
"L_histidine","bmse000039",3,134.6686,2.25
"L_histidine","bmse000039",4,119.5492,8.47
"L_histidine","bmse000039",5,57.4737,12.5
"L_histidine","bmse000039",6,30.7804,11.71
"L_homoserine","bmse000040",1,177.2374,1.7
"L_homoserine","bmse000040",2,61.3363,12.5
"L_homoserine","bmse000040",3,56.0719,8.39
"L_homoserine","bmse000040",4,34.8823,11.17
"L_isoleucine","bmse000041",1,176.9223,1.89
"L_isoleucine","bmse000041",2,62.2493,12.5
"L_isoleucine","bmse000041",3,38.5957,9.56
"L_isoleucine","bmse000041",4,27.1531,12.15
"L_isoleucine","bmse000041",5,17.3893,8.4
"L_isoleucine","bmse000041",6,13.8035,7.76
"L_leucine","bmse000042",1,178.3284,2.9
"L_leucine","bmse000042",2,56.1175,11.06
"L_leucine","bmse000042",3,42.5151,11.41
"L_leucine","bmse000042",4,26.8579,12.5
"L_leucine","bmse000042",5,24.7283,9.43
"L_leucine","bmse000042",6,23.5808,12.45
"L_lysine","bmse000043",1,177.4077,2.58
"L_lysine","bmse000043",2,57.1969,9.77
"L_lysine","bmse000043",3,41.7595,10.04
"L_lysine","bmse000043",4,32.6068,10.59
"L_lysine","bmse000043",5,29.1125,12.5
"L_lysine","bmse000043",6,24.1325,10.95
"malic_acid","bmse000046",1,183.7669,2.25
"malic_acid","bmse000046",2,182.5706,2
"malic_acid","bmse000046",3,73.0495,9.52
"malic_acid","bmse000046",4,45.3174,12.5
"L_methionine","bmse000044",1,177.0256,1.63
"L_methionine","bmse000044",2,56.5949,11.7
"L_methionine","bmse000044",3,32.3948,11.02
"L_methionine","bmse000044",4,31.5117,12.5
"L_methionine","bmse000044",5,16.6207,5.66
"L_phenylalanine","bmse000045",1,137.8245,2.32
"L_phenylalanine","bmse000045",2,132.08,12.5
"L_phenylalanine","bmse000045",3,131.8234,9.6
"L_phenylalanine","bmse000045",4,130.4017,5.37
"L_phenylalanine","bmse000045",5,58.7477,5.25
"L_phenylalanine","bmse000045",6,39.0993,5.55
"L_proline","bmse000047",1,177.4144,1.3
"L_proline","bmse000047",2,63.9229,11.05
"L_proline","bmse000047",3,48.7631,9.32
"L_proline","bmse000047",4,31.6863,12.5
"L_proline","bmse000047",5,26.4548,9.6
"L_serine","bmse000048",1,62.8928,12.5
"L_serine","bmse000048",2,59.0815,8.62
"L_threonine","bmse000049",1,175.6411,1.16
"L_threonine","bmse000049",2,68.6408,12.03
"L_threonine","bmse000049",3,63.1368,12.5
"L_threonine","bmse000049",4,22.1352,12.2
"L_tryptophan","bmse000050",1,177.255,2.71
"L_tryptophan","bmse000050",2,139.0401,1.59
"L_tryptophan","bmse000050",3,129.3512,1.89
"L_tryptophan","bmse000050",4,127.7463,10.84
"L_tryptophan","bmse000050",5,124.8346,12.27
"L_tryptophan","bmse000050",6,122.1638,12.5
"L_tryptophan","bmse000050",7,121.1566,12.38
"L_tryptophan","bmse000050",8,114.6587,10.23
"L_tryptophan","bmse000050",9,110.1782,4.04
"L_tryptophan","bmse000050",10,57.7537,11.28
"L_tryptophan","bmse000050",11,29.1016,11.57
"L_tyrosine","bmse000051",1,184.1279,1.35
"L_tyrosine","bmse000051",2,163.7886,1.13
"L_tyrosine","bmse000051",3,133.3998,10.61
"L_tyrosine","bmse000051",4,128.0459,2.21
"L_tyrosine","bmse000051",5,120.2955,12.5
"L_tyrosine","bmse000051",6,60.0412,5.12
"L_tyrosine","bmse000051",7,41.8233,4.45
"L_valine","bmse000052",1,63.0706,10.1
"L_valine","bmse000052",2,31.7958,11.73
"L_valine","bmse000052",3,20.6547,12.29
"L_valine","bmse000052",4,19.3267,12.5
"D_mannitol","bmse000099",1,73.4901,12.5
"D_mannitol","bmse000099",2,71.9258,8.62
"D_mannitol","bmse000099",3,65.9197,11.81
"meso_erythritol","bmse000100",1,74.6159,12.5
"meso_erythritol","bmse000100",2,65.309,8.37
"methyl_oxobutanoic_acid","bmse000101",1,39.7045,5.48
"methyl_oxobutanoic_acid","bmse000101",2,19.0607,12.5
"muco_inositol","bmse000102",1,75.0137,6.8
"muco_inositol","bmse000102",2,72.8728,12.5
"myo_inositol","bmse000103",1,77.0519,5.9
"myo_inositol","bmse000103",2,75.1054,12.5
"myo_inositol","bmse000103",3,74.8867,4.4
"myo_inositol","bmse000103",4,73.8316,10.8
"NAD","bmse000053",1,167.8653,3.69
"NAD","bmse000053",2,158.0181,4.21
"NAD","bmse000053",3,155.468,8.5
"NAD","bmse000053",4,151.5966,5.8
"NAD","bmse000053",5,148.4441,6.77
"NAD","bmse000053",6,145.0618,5.64
"NAD","bmse000053",7,142.6338,5.11
"NAD","bmse000053",8,142.3914,7.13
"NAD","bmse000053",9,136.3277,6.28
"NAD","bmse000053",10,131.3233,7.72
"NAD","bmse000053",11,121.0165,3.15
"NAD","bmse000053",12,102.7367,9.04
"NAD","bmse000053",13,89.7361,5.45
"NAD","bmse000053",14,89.6488,5.15
"NAD","bmse000053",15,89.3547,10.54
"NAD","bmse000053",16,86.5859,5.25
"NAD","bmse000053",17,86.4979,5.24
"NAD","bmse000053",18,80.3065,12.5
"NAD","bmse000053",19,76.6526,12.24
"NAD","bmse000053",20,73.2929,11.75
"NAD","bmse000053",21,73.0829,11.48
"NAD","bmse000053",22,68.1579,4.36
"NAD","bmse000053",23,68.1059,4.27
"NAD","bmse000053",24,67.6491,4.7
"NAD","bmse000053",25,67.5973,4.24
"NADH","bmse000054",1,175.3474,5.48
"NADH","bmse000054",2,158.1968,4.24
"NADH","bmse000054",3,155.4171,8.83
"NADH","bmse000054",4,151.5844,5.71
"NADH","bmse000054",5,142.3515,6.8
"NADH","bmse000054",6,141.1257,9.71
"NADH","bmse000054",7,126.4094,7.79
"NADH","bmse000054",8,121.2963,4.16
"NADH","bmse000054",9,108.0387,9.52
"NADH","bmse000054",10,102.5371,7.01
"NADH","bmse000054",11,97.7448,9.22
"NADH","bmse000054",12,89.7936,11.06
"NADH","bmse000054",13,86.3582,5.51
"NADH","bmse000054",14,85.0981,5.6
"NADH","bmse000054",15,77.2518,12.23
"NADH","bmse000054",16,73.4643,12.14
"NADH","bmse000054",17,73.2824,12.5
"NADH","bmse000054",18,72.9239,9.04
"NADH","bmse000054",19,68.6321,4.65
"NADH","bmse000054",20,67.8556,4.52
"NADH","bmse000054",21,24.5551,8.23
"NADH","bmse000054",22,19.5029,3.45
"NADPH","bmse000055",1,175.4549,3.91
"NADPH","bmse000055",2,158.2562,4.4
"NADPH","bmse000055",3,155.3726,8.4
"NADPH","bmse000055",4,151.6612,4.78
"NADPH","bmse000055",5,142.7666,6.52
"NADPH","bmse000055",6,141.0746,8.37
"NADPH","bmse000055",7,126.4637,8.6
"NADPH","bmse000055",8,108.0154,8.41
"NADPH","bmse000055",9,102.5834,6.37
"NADPH","bmse000055",10,97.6847,9.4
"NADPH","bmse000055",11,89.5671,4.71
"NADPH","bmse000055",12,89.4832,4.7
"NADPH","bmse000055",13,85.6232,4.52
"NADPH","bmse000055",14,85.136,4.45
"NADPH","bmse000055",15,79.2632,4.94
"NADPH","bmse000055",16,73.4756,12.5
"NADPH","bmse000055",17,73.324,11.5
"NADPH","bmse000055",18,72.7309,8.21
"NADPH","bmse000055",19,68.5416,4.39
"NADPH","bmse000055",20,67.9571,5.25
"NADPH","bmse000055",21,24.6213,6.74
"niacin","bmse000104",1,176.0593,0.88
"niacin","bmse000104",2,153.1473,12.5
"niacin","bmse000104",3,151.7346,9.43
"niacin","bmse000104",4,140.3918,11.16
"niacin","bmse000104",5,135.0395,2.37
"niacin","bmse000104",6,126.6461,10.94
"nicotine","bmse000105",1,152.9553,11.86
"nicotine","bmse000105",2,151.8079,8.39
"nicotine","bmse000105",3,139.9786,11.24
"nicotine","bmse000105",4,132.2848,2.82
"nicotine","bmse000105",5,127.6138,11.08
"nicotine","bmse000105",6,72.3903,8.23
"nicotine","bmse000105",7,58.7754,9.8
"nicotine","bmse000105",8,40.9138,11.41
"nicotine","bmse000105",9,33.0757,8.96
"nicotine","bmse000105",10,24.2203,12.5
"N_acetylneuraminic_acid","bmse000057",1,179.4931,2.99
"N_acetylneuraminic_acid","bmse000057",2,177.4691,5.36
"N_acetylneuraminic_acid","bmse000057",3,99.1066,6.81
"N_acetylneuraminic_acid","bmse000057",4,73.0136,10.35
"N_acetylneuraminic_acid","bmse000057",5,72.9084,11.02
"N_acetylneuraminic_acid","bmse000057",6,71.2583,9.48
"N_acetylneuraminic_acid","bmse000057",7,70.0063,10.08
"N_acetylneuraminic_acid","bmse000057",8,66.0063,10.13
"N_acetylneuraminic_acid","bmse000057",9,54.9693,12.5
"N_acetylneuraminic_acid","bmse000057",10,42.0905,8.84
"N_acetylneuraminic_acid","bmse000057",11,24.8195,11.34
"N_acetyl_D_mannosamine","bmse000056",1,178.4248,1.93
"N_acetyl_D_mannosamine","bmse000056",2,177.4968,2.6
"N_acetyl_D_mannosamine","bmse000056",3,95.8209,8.31
"N_acetyl_D_mannosamine","bmse000056",4,95.688,9.13
"N_acetyl_D_mannosamine","bmse000056",5,79.0399,10.23
"N_acetyl_D_mannosamine","bmse000056",6,74.7525,9.08
"N_acetyl_D_mannosamine","bmse000056",7,74.6939,8.91
"N_acetyl_D_mannosamine","bmse000056",8,71.5593,11.26
"N_acetyl_D_mannosamine","bmse000056",9,69.4618,11.11
"N_acetyl_D_mannosamine","bmse000056",10,69.1894,8.23
"N_acetyl_D_mannosamine","bmse000056",11,63.0714,12.5
"N_acetyl_D_mannosamine","bmse000056",12,56.7834,6.76
"N_acetyl_D_mannosamine","bmse000056",13,55.9143,11.74
"N_acetyl_D_mannosamine","bmse000056",14,24.7467,6.42
"N_acetyl_D_mannosamine","bmse000056",15,24.6103,7.83
"oxalate","bmse000106",1,176.1386,12.5
"O_succinyl_L_homoserine","bmse000058",1,183.8863,2.56
"O_succinyl_L_homoserine","bmse000058",2,178.3647,2.14
"O_succinyl_L_homoserine","bmse000058",3,176.7702,2.64
"O_succinyl_L_homoserine","bmse000058",4,64.4599,9.53
"O_succinyl_L_homoserine","bmse000058",5,55.5165,8.79
"O_succinyl_L_homoserine","bmse000058",6,35.6935,1.47
"O_succinyl_L_homoserine","bmse000058",7,34.6435,11.39
"O_succinyl_L_homoserine","bmse000058",8,33.1998,12.5
"O_succinyl_L_homoserine","bmse000058",9,32.0477,7.9
"phosphoenolpyruvic_acid","bmse000107",1,152.4983,4.37
"phosphoenolpyruvic_acid","bmse000107",2,152.4267,2.42
"phosphoenolpyruvic_acid","bmse000107",3,102.8677,10.91
"phosphoenolpyruvic_acid","bmse000107",4,102.8401,12.5
"prephenic_acid","bmse000108",1,134.012,12.19
"prephenic_acid","bmse000108",2,130.3553,12.5
"prephenic_acid","bmse000108",3,64.0727,7.77
"prephenic_acid","bmse000108",4,51.2462,2.5
"prephenic_acid","bmse000108",5,50.6545,5.86
"putrescine","bmse000109",1,41.551,11.73
"putrescine","bmse000109",2,26.5984,12.5
"pyridoxal","bmse000110",1,161.5671,1.78
"pyridoxal","bmse000110",2,148.0785,2.3
"pyridoxal","bmse000110",3,140.9568,3.28
"pyridoxal","bmse000110",4,139.5279,4.52
"pyridoxal","bmse000110",5,120.0727,6.07
"pyridoxal","bmse000110",6,102.0212,10.48
"pyridoxal","bmse000110",7,72.5072,12.5
"pyridoxal","bmse000110",8,17.5108,7.09
"pyridoxal_5_phosphate","bmse000111",1,198.7901,4.06
"pyridoxal_5_phosphate","bmse000111",2,154.2739,7.56
"pyridoxal_5_phosphate","bmse000111",3,139.0553,2.73
"pyridoxal_5_phosphate","bmse000111",4,138.9802,2.7
"pyridoxal_5_phosphate","bmse000111",5,128.8539,3.48
"pyridoxal_5_phosphate","bmse000111",6,126.7748,3.24
"pyridoxal_5_phosphate","bmse000111",7,91.4524,2.95
"pyridoxal_5_phosphate","bmse000111",8,64.4322,9.86
"pyridoxal_5_phosphate","bmse000111",9,64.3954,7.79
"pyridoxal_5_phosphate","bmse000111",10,18.7125,12.5
"pyridoxal_5_phosphate","bmse000111",11,17.3618,2.26
"pyridoxamine","bmse000130",1,165.5851,1.63
"pyridoxamine","bmse000130",2,148.1236,2.38
"pyridoxamine","bmse000130",3,138.2661,5.06
"pyridoxamine","bmse000130",4,134.7636,2.63
"pyridoxamine","bmse000130",5,126.6506,8.52
"pyridoxamine","bmse000130",6,61.8257,9.73
"pyridoxamine","bmse000130",7,39.2287,12.5
"pyridoxamine","bmse000130",8,18.1093,10.27
"pyridoxamine_5_phosphate","bmse000131",1,165.6996,3.42
"pyridoxamine_5_phosphate","bmse000131",2,147.3396,4.49
"pyridoxamine_5_phosphate","bmse000131",3,137.5932,4.37
"pyridoxamine_5_phosphate","bmse000131",4,137.5201,3.66
"pyridoxamine_5_phosphate","bmse000131",5,135.8735,6.9
"pyridoxamine_5_phosphate","bmse000131",6,125.9833,8.38
"pyridoxamine_5_phosphate","bmse000131",7,64.3374,8.14
"pyridoxamine_5_phosphate","bmse000131",8,64.2962,7.45
"pyridoxamine_5_phosphate","bmse000131",9,38.955,12.5
"pyridoxamine_5_phosphate","bmse000131",10,17.7372,11.91
"scyllo_inositol","bmse000113",1,76.2821,12.5
"shikimic_acid","bmse000114",1,178.0757,1.84
"shikimic_acid","bmse000114",2,138.7121,3.69
"shikimic_acid","bmse000114",3,133.2065,8.63
"shikimic_acid","bmse000114",4,74.7462,8.91
"shikimic_acid","bmse000114",5,69.5201,11.73
"shikimic_acid","bmse000114",6,68.9871,12.5
"shikimic_acid","bmse000114",7,35.3685,8.86
"D_sorbitol","bmse000115",1,75.6364,11.8
"D_sorbitol","bmse000115",2,73.7844,11.91
"D_sorbitol","bmse000115",3,73.6628,11.46
"D_sorbitol","bmse000115",4,72.3478,12.5
"D_sorbitol","bmse000115",5,65.5074,7.86
"D_sorbitol","bmse000115",6,65.1126,9.65
"spermidine","bmse000116",1,49.7685,12.5
"spermidine","bmse000116",2,47.255,9.6
"spermidine","bmse000116",3,41.5152,10.94
"spermidine","bmse000116",4,39.2998,10.61
"spermidine","bmse000116",5,26.64,10.09
"spermidine","bmse000116",6,26.5227,9.51
"spermidine","bmse000116",7,25.4882,11.59
"spermine","bmse000117",1,50.4642,10.16
"spermine","bmse000117",2,48.3361,12.5
"spermine","bmse000117",3,40.6981,12.1
"spermine","bmse000117",4,30.823,7.1
"spermine","bmse000117",5,27.6835,10.97
"succinic_acid","bmse000118",1,185.1648,1.78
"succinic_acid","bmse000118",2,36.8897,12.5
"sucrose","bmse000119",1,106.3887,6.15
"sucrose","bmse000119",2,94.8829,11.39
"sucrose","bmse000119",3,84.0666,11.94
"sucrose","bmse000119",4,79.0967,11.54
"sucrose","bmse000119",5,76.6892,12.13
"sucrose","bmse000119",6,75.2562,11.56
"sucrose","bmse000119",7,75.107,12.4
"sucrose","bmse000119",8,73.7694,11.94
"sucrose","bmse000119",9,71.9114,12.5
"sucrose","bmse000119",10,65.0741,11.11
"sucrose","bmse000119",11,64.0305,10.38
"sucrose","bmse000119",12,62.8059,9.96
"S_adenosyl_L_methionine","bmse000059",1,177.2049,1.06
"S_adenosyl_L_methionine","bmse000059",2,175.5374,3.57
"S_adenosyl_L_methionine","bmse000059",3,158.2573,4.07
"S_adenosyl_L_methionine","bmse000059",4,158.1473,1.23
"S_adenosyl_L_methionine","bmse000059",5,155.5574,8.68
"S_adenosyl_L_methionine","bmse000059",6,155.4871,3.71
"S_adenosyl_L_methionine","bmse000059",7,154.9459,1.28
"S_adenosyl_L_methionine","bmse000059",8,151.4918,1.4
"S_adenosyl_L_methionine","bmse000059",9,151.3094,4.84
"S_adenosyl_L_methionine","bmse000059",10,143.3489,7.53
"S_adenosyl_L_methionine","bmse000059",11,142.6447,2.96
"S_adenosyl_L_methionine","bmse000059",12,121.7408,3.05
"S_adenosyl_L_methionine","bmse000059",13,91.8,12.5
"S_adenosyl_L_methionine","bmse000059",14,90.1262,1.08
"S_adenosyl_L_methionine","bmse000059",15,90.0407,3.67
"S_adenosyl_L_methionine","bmse000059",16,85.9474,3.7
"S_adenosyl_L_methionine","bmse000059",17,81.4782,2.83
"S_adenosyl_L_methionine","bmse000059",18,80.8642,9.06
"S_adenosyl_L_methionine","bmse000059",19,76.1774,4.19
"S_adenosyl_L_methionine","bmse000059",20,75.6933,3.46
"S_adenosyl_L_methionine","bmse000059",21,75.4417,10.55
"S_adenosyl_L_methionine","bmse000059",22,75.2896,11.21
"S_adenosyl_L_methionine","bmse000059",23,75.2102,3.9
"S_adenosyl_L_methionine","bmse000059",24,75.0576,4.66
"S_adenosyl_L_methionine","bmse000059",25,61.3914,4.52
"S_adenosyl_L_methionine","bmse000059",26,60.181,3.6
"S_adenosyl_L_methionine","bmse000059",27,56.1328,4.11
"S_adenosyl_L_methionine","bmse000059",28,55.5398,11.64
"S_adenosyl_L_methionine","bmse000059",29,55.4732,3.85
"S_adenosyl_L_methionine","bmse000059",30,51.6245,1.02
"S_adenosyl_L_methionine","bmse000059",31,47.0027,7.3
"S_adenosyl_L_methionine","bmse000059",32,41.6503,2.53
"S_adenosyl_L_methionine","bmse000059",33,41.5608,8
"S_adenosyl_L_methionine","bmse000059",34,39.296,1.04
"S_adenosyl_L_methionine","bmse000059",35,38.5747,3.27
"S_adenosyl_L_methionine","bmse000059",36,34.9032,4.07
"S_adenosyl_L_methionine","bmse000059",37,28.138,8.12
"S_adenosyl_L_methionine","bmse000059",38,27.9802,2.58
"S_adenosyl_L_methionine","bmse000059",39,26.5384,1.05
"S_adenosyl_L_methionine","bmse000059",40,26.4688,3.89
"S_adenosyl_L_methionine","bmse000059",41,26.1398,11.37
"S_adenosyl_L_methionine","bmse000059",42,19.5416,3.82
"S_adenosyl_L_methionine","bmse000059",43,18.0425,2.93
"taurine","bmse000120",1,50.2124,12.5
"taurine","bmse000120",2,38.0682,11.7
"L_threitol","bmse000121",1,74.3047,12.5
"L_threitol","bmse000121",2,65.3263,12.42
"trans_4_hydroxy_L_proline","bmse000123",1,177.0263,1.29
"trans_4_hydroxy_L_proline","bmse000123",2,72.7686,12.34
"trans_4_hydroxy_L_proline","bmse000123",3,62.5265,8.41
"trans_4_hydroxy_L_proline","bmse000123",4,55.643,12.5
"trans_4_hydroxy_L_proline","bmse000123",5,40.1298,9.82
"trans_cinnamic_acid","bmse000124",1,143.5556,4.31
"trans_cinnamic_acid","bmse000124",2,137.8775,1.34
"trans_cinnamic_acid","bmse000124",3,132.3324,6.15
"trans_cinnamic_acid","bmse000124",4,131.6902,9.94
"trans_cinnamic_acid","bmse000124",5,130.4135,12.5
"trans_cinnamic_acid","bmse000124",6,126.8267,3.92
"D_trehalose","bmse000125",1,95.9171,12.5
"D_trehalose","bmse000125",2,75.2081,11.88
"D_trehalose","bmse000125",3,74.8491,10.1
"D_trehalose","bmse000125",4,73.7422,9.97
"D_trehalose","bmse000125",5,72.3894,11.58
"D_trehalose","bmse000125",6,63.2132,8.55
"uric_acid","bmse000126",1,167.6653,6.04
"uric_acid","bmse000126",2,165.3393,12.5
"uric_acid","bmse000126",3,162.2146,6.72
"uric_acid","bmse000126",4,156.4958,8.87
"uric_acid","bmse000126",5,104.5779,6.55
"xanthine","bmse000127",1,163.3303,1.9
"xanthine","bmse000127",2,161.9958,1.23
"xanthine","bmse000127",3,158.0123,1.54
"xanthine","bmse000127",4,142.7225,12.5
"xanthine","bmse000127",5,116.2503,1.15
"xanthosine","bmse000128",1,163.7475,1.41
"xanthosine","bmse000128",2,162.2764,1.3
"xanthosine","bmse000128",3,155.8547,2.56
"xanthosine","bmse000128",4,140.0607,9.27
"xanthosine","bmse000128",5,118.2068,1.28
"xanthosine","bmse000128",6,90.6608,11.73
"xanthosine","bmse000128",7,88.5324,12.41
"xanthosine","bmse000128",8,75.9737,12.5
"xanthosine","bmse000128",9,73.5577,11.03
"xanthosine","bmse000128",10,64.3556,8.81
"xylitol","bmse000129",1,74.6275,11.33
"xylitol","bmse000129",2,73.4743,6.7
"xylitol","bmse000129",3,65.3143,12.5
"tyramine","bmse000243",1,157.2984,1.41
"tyramine","bmse000243",2,132.9956,12.5
"tyramine","bmse000243",3,131.1649,2.03
"tyramine","bmse000243",4,118.5125,12.18
"tyramine","bmse000243",5,43.4518,5.34
"tyramine","bmse000243",6,34.6329,6.06
"L_carnosine","bmse000246",1,180.2008,3.84
"L_carnosine","bmse000246",2,174.3323,4.86
"L_carnosine","bmse000246",3,137.5197,9.53
"L_carnosine","bmse000246",4,134.6631,4.69
"L_carnosine","bmse000246",5,119.8491,10.48
"L_carnosine","bmse000246",6,57.5784,11.65
"L_carnosine","bmse000246",7,38.3703,11.44
"L_carnosine","bmse000246",8,34.7671,12.5
"L_carnosine","bmse000246",9,30.9947,9.98
"glycolate","bmse000245",1,182.6562,5.25
"glycolate","bmse000245",2,63.9098,12.5
"1_3_dimethylurea","bmse000248",1,29.1399,12.5
"D_glucosamine","bmse000247",1,96.7337,8.51
"D_glucosamine","bmse000247",2,92.4167,12.41
"D_glucosamine","bmse000247",3,78.843,9.89
"D_glucosamine","bmse000247",4,75.8685,8.3
"D_glucosamine","bmse000247",5,74.3489,12.5
"D_glucosamine","bmse000247",6,72.9419,11.22
"D_glucosamine","bmse000247",7,72.4037,9.8
"D_glucosamine","bmse000247",8,72.3301,12.04
"D_glucosamine","bmse000247",9,63.2894,7.62
"D_glucosamine","bmse000247",10,63.0782,11.08
"D_glucosamine","bmse000247",11,59.6847,8.44
"D_glucosamine","bmse000247",12,57.1428,11.73
"isethionic_acid","bmse000242",1,59.6397,12.02
"isethionic_acid","bmse000242",2,55.5295,12.5
"N_N_dimethylglycine","bmse000241",1,62.5717,6.55
"N_N_dimethylglycine","bmse000241",2,46.2286,12.5
"dihydroxyacetone","bmse000144",1,214.7833,3.78
"dihydroxyacetone","bmse000144",2,97.773,1.6
"dihydroxyacetone","bmse000144",3,66.2429,12.5
"N_acetyl_L_glutamine","bmse000145",1,181.3622,2.37
"N_acetyl_L_glutamine","bmse000145",2,181.1277,3.44
"N_acetyl_L_glutamine","bmse000145",3,176.3862,3.32
"N_acetyl_L_glutamine","bmse000145",4,57.3658,12.5
"N_acetyl_L_glutamine","bmse000145",5,34.4405,9.75
"N_acetyl_L_glutamine","bmse000145",6,30.4549,10.18
"N_acetyl_L_glutamine","bmse000145",7,24.6247,9.17
"ADA","bmse000146",1,180.0279,1.66
"ADA","bmse000146",2,60.0622,12.5
"ADA","bmse000146",3,59.955,1.44
"4_aminoantipyrine","bmse000147",1,144.7673,1.72
"4_aminoantipyrine","bmse000147",2,135.763,1.74
"4_aminoantipyrine","bmse000147",3,132.3952,12.5
"4_aminoantipyrine","bmse000147",4,131.8174,5.85
"4_aminoantipyrine","bmse000147",5,129.3212,12.35
"4_aminoantipyrine","bmse000147",6,37.2322,4.81
"4_aminoantipyrine","bmse000147",7,11.7408,4.42
"acetylcarnitine","bmse000142",1,179.354,4.03
"acetylcarnitine","bmse000142",2,175.4615,4.06
"acetylcarnitine","bmse000142",3,70.835,4.53
"acetylcarnitine","bmse000142",4,69.5734,12.5
"acetylcarnitine","bmse000142",5,56.5103,12.2
"acetylcarnitine","bmse000142",6,42.9071,9.73
"acetylcarnitine","bmse000142",7,23.3168,9.11
"5_acetylamido_2_chloroaniline","bmse000143",1,139.2064,3.06
"5_acetylamido_2_chloroaniline","bmse000143",2,132.3826,12.5
"5_acetylamido_2_chloroaniline","bmse000143",3,116.2078,11.5
"5_acetylamido_2_chloroaniline","bmse000143",4,112.9825,11.85
"5_acetylamido_2_chloroaniline","bmse000143",5,25.522,8.76
"uracil","bmse000187",1,170.2202,1.35
"uracil","bmse000187",2,146.2032,10.52
"uracil","bmse000187",3,103.7407,12.5
"cytidine","bmse000190",1,168.8862,2.92
"cytidine","bmse000190",2,160.3399,2.39
"cytidine","bmse000190",3,144.3268,8.93
"cytidine","bmse000190",4,98.9421,9.02
"cytidine","bmse000190",5,92.9764,11.59
"cytidine","bmse000190",6,86.4726,11.93
"cytidine","bmse000190",7,76.6665,12.26
"cytidine","bmse000190",8,71.9801,12.5
"cytidine","bmse000190",9,63.4255,9.89
"propionic_acid","bmse000179",1,187.7472,2.27
"propionic_acid","bmse000179",2,33.4143,12.5
"propionic_acid","bmse000179",3,12.8911,11.53
"cytosine","bmse000180",1,170.1095,1.09
"cytosine","bmse000180",2,145.8461,10.28
"cytosine","bmse000180",3,97.8181,12.5
"3_hydroxybutyrate","bmse000161",1,183.1934,2.18
"3_hydroxybutyrate","bmse000161",2,68.3994,9.53
"3_hydroxybutyrate","bmse000161",3,49.2195,12.5
"3_hydroxybutyrate","bmse000161",4,24.4317,11.28
"sarcosine","bmse000160",1,174.1787,1.69
"sarcosine","bmse000160",2,53.5151,12.5
"sarcosine","bmse000160",3,35.3495,10.56
"beta_alanine","bmse000159",1,181.1398,1.61
"beta_alanine","bmse000159",2,39.2339,9.51
"beta_alanine","bmse000159",3,36.2855,12.5
"uridine","bmse000158",1,169.0394,2.54
"uridine","bmse000158",2,154.4569,2.08
"uridine","bmse000158",3,144.529,8.58
"uridine","bmse000158",4,104.9743,9.81
"uridine","bmse000158",5,92.0363,11.1
"uridine","bmse000158",6,86.9005,11.88
"uridine","bmse000158",7,76.3651,11.81
"uridine","bmse000158",8,72.0985,12.5
"uridine","bmse000158",9,63.4211,9.74
"N_acetyl_L_alanine","bmse000157",1,183.142,2.18
"N_acetyl_L_alanine","bmse000157",2,176.0277,2.41
"N_acetyl_L_alanine","bmse000157",3,53.6895,12.5
"N_acetyl_L_alanine","bmse000157",4,24.5618,8.98
"N_acetyl_L_alanine","bmse000157",5,20.0042,11.11
"trimethyl_phosphonoacetate","bmse000156",1,56.6257,8.02
"trimethyl_phosphonoacetate","bmse000156",2,56.5607,8.02
"trimethyl_phosphonoacetate","bmse000156",3,55.9903,12.5
"creatinine","bmse000155",1,191.713,2.26
"creatinine","bmse000155",2,59.1239,12.5
"creatinine","bmse000155",3,58.8527,2.53
"creatinine","bmse000155",4,58.6295,1.96
"creatinine","bmse000155",5,32.9001,9.73
"4_2_aminoethyl_morpholine","bmse000154",1,68.8872,12.21
"4_2_aminoethyl_morpholine","bmse000154",2,56.9694,6.45
"4_2_aminoethyl_morpholine","bmse000154",3,55.1945,12.5
"4_2_aminoethyl_morpholine","bmse000154",4,38.3707,5.31
"L_methionine_methylsulfonium_iodide","bmse000153",1,176.1278,2.46
"L_methionine_methylsulfonium_iodide","bmse000153",2,55.6328,12.37
"L_methionine_methylsulfonium_iodide","bmse000153",3,42.2714,10.53
"L_methionine_methylsulfonium_iodide","bmse000153",4,28.1127,10.06
"L_methionine_methylsulfonium_iodide","bmse000153",5,27.4753,11.87
"L_methionine_methylsulfonium_iodide","bmse000153",6,27.4428,12.5
"trigonelline","bmse000152",1,170.5429,1.63
"trigonelline","bmse000152",2,148.7294,3.53
"trigonelline","bmse000152",3,148.5432,3.12
"trigonelline","bmse000152",4,147.4509,9.81
"trigonelline","bmse000152",5,139.591,3.58
"trigonelline","bmse000152",6,130.3808,12.5
"trigonelline","bmse000152",7,50.9868,3.8
"L_kynurenine","bmse000172",1,202.7838,4.18
"L_kynurenine","bmse000172",2,176.9655,3.82
"L_kynurenine","bmse000172",3,153.0281,3.8
"L_kynurenine","bmse000172",4,138.3201,10.63
"L_kynurenine","bmse000172",5,134.0077,10.47
"L_kynurenine","bmse000172",6,120.7487,12.5
"L_kynurenine","bmse000172",7,120.1347,3.19
"L_kynurenine","bmse000172",8,119.5469,11.71
"L_kynurenine","bmse000172",9,53.4373,9.6
"L_kynurenine","bmse000172",10,53.3893,1.75
"L_kynurenine","bmse000172",11,41.6724,9.4
"4_hydroxyphenethyl_alcohol","bmse000173",1,156.5231,1.3
"4_hydroxyphenethyl_alcohol","bmse000173",2,133.6531,2.03
"4_hydroxyphenethyl_alcohol","bmse000173",3,133.0108,12.05
"4_hydroxyphenethyl_alcohol","bmse000173",4,118.0973,12.5
"4_hydroxyphenethyl_alcohol","bmse000173",5,65.4628,5.4
"4_hydroxyphenethyl_alcohol","bmse000173",6,39.6054,5.27
"L_glutathione_oxidized","bmse000170",1,179.0431,5.08
"L_glutathione_oxidized","bmse000170",2,177.7295,7.27
"L_glutathione_oxidized","bmse000170",3,176.8436,5.71
"L_glutathione_oxidized","bmse000170",4,174.576,7.14
"L_glutathione_oxidized","bmse000170",5,56.7983,12.5
"L_glutathione_oxidized","bmse000170",6,55.2962,6.93
"L_glutathione_oxidized","bmse000170",7,46.1769,10
"L_glutathione_oxidized","bmse000170",8,41.3939,5.3
"L_glutathione_oxidized","bmse000170",9,34.0976,8.71
"L_glutathione_oxidized","bmse000170",10,28.9834,9.22
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",1,137.9087,2.24
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",2,137.8673,2.37
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",3,131.376,12.5
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",4,131.3613,12.49
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",5,130.699,5.71
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",6,130.6797,5.71
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",7,130.3647,10.88
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",8,130.3201,11.19
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",9,58.3213,5.52
"1_amino_1_phenylmethyl_phosphonic_acid","bmse000171",10,57.0571,5.41
"2_amino_5_ethyl_1_3_4_thiadiazole","bmse000176",1,168.4472,1.23
"2_amino_5_ethyl_1_3_4_thiadiazole","bmse000176",2,25.8692,12.5
"2_amino_5_ethyl_1_3_4_thiadiazole","bmse000176",3,15.8228,11.49
"indole_3_acetic_acid","bmse000177",1,184.4014,2.14
"indole_3_acetic_acid","bmse000177",2,138.8639,1.78
"indole_3_acetic_acid","bmse000177",3,129.8341,1.84
"indole_3_acetic_acid","bmse000177",4,126.7302,9.37
"indole_3_acetic_acid","bmse000177",5,124.4124,12.5
"indole_3_acetic_acid","bmse000177",6,121.7961,11.6
"indole_3_acetic_acid","bmse000177",7,121.3961,11.96
"indole_3_acetic_acid","bmse000177",8,114.4077,11.75
"indole_3_acetic_acid","bmse000177",9,113.0393,2.26
"indole_3_acetic_acid","bmse000177",10,36.6627,11.8
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",1,177.1121,2.86
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",2,175.8429,2.97
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",3,146.1205,4.91
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",4,142.1751,2.25
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",5,140.3992,5.19
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",6,135.1671,1.17
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",7,128.5755,12.5
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",8,122.2003,7.85
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",9,120.5307,8.5
"5_acetylamino_2_nitrobenzoic_acid","bmse000174",10,26.0734,7.9
"inosine_5_monophosphate","bmse000175",1,161.425,3.75
"inosine_5_monophosphate","bmse000175",2,151.4802,4.81
"inosine_5_monophosphate","bmse000175",3,149.0993,9.26
"inosine_5_monophosphate","bmse000175",4,142.6513,8.28
"inosine_5_monophosphate","bmse000175",5,126.224,3.55
"inosine_5_monophosphate","bmse000175",6,90.0513,11.57
"inosine_5_monophosphate","bmse000175",7,87.5897,6.17
"inosine_5_monophosphate","bmse000175",8,87.5029,6.25
"inosine_5_monophosphate","bmse000175",9,77.4723,12.43
"inosine_5_monophosphate","bmse000175",10,73.3415,12.5
"inosine_5_monophosphate","bmse000175",11,66.1817,4.69
"inosine_5_monophosphate","bmse000175",12,66.1371,4.9
"acetylcholine","bmse000168",1,175.9351,1.7
"acetylcholine","bmse000168",2,67.2352,3.17
"acetylcholine","bmse000168",3,67.2022,3.69
"acetylcholine","bmse000168",4,67.1693,3.21
"acetylcholine","bmse000168",5,61.0489,9.91
"acetylcholine","bmse000168",6,56.5037,10.75
"acetylcholine","bmse000168",7,56.4653,12.5
"acetylcholine","bmse000168",8,56.4269,11.09
"acetylcholine","bmse000168",9,22.907,5.01
"L_selenomethionine","bmse000169",1,177.0007,2.6
"L_selenomethionine","bmse000169",2,57.4374,11.47
"L_selenomethionine","bmse000169",3,33.6291,11.68
"L_selenomethionine","bmse000169",4,21.9577,12.5
"L_selenomethionine","bmse000169",5,5.9908,6.84
"L_carnitine","bmse000211",1,180.7932,2.55
"L_carnitine","bmse000211",2,72.8484,3.55
"L_carnitine","bmse000211",3,72.8194,4.35
"L_carnitine","bmse000211",4,72.7905,3.77
"L_carnitine","bmse000211",5,66.787,9.83
"L_carnitine","bmse000211",6,56.8352,10.16
"L_carnitine","bmse000211",7,56.7971,12.5
"L_carnitine","bmse000211",8,56.7587,10.72
"L_carnitine","bmse000211",9,45.6836,6.68
"2_deoxyguanosine_5_triphosphate","bmse000210",1,161.5994,4.1
"2_deoxyguanosine_5_triphosphate","bmse000210",2,156.5483,6.62
"2_deoxyguanosine_5_triphosphate","bmse000210",3,153.9201,3.76
"2_deoxyguanosine_5_triphosphate","bmse000210",4,140.177,4.97
"2_deoxyguanosine_5_triphosphate","bmse000210",5,118.7094,3.56
"2_deoxyguanosine_5_triphosphate","bmse000210",6,88.3356,4.95
"2_deoxyguanosine_5_triphosphate","bmse000210",7,88.2497,5.03
"2_deoxyguanosine_5_triphosphate","bmse000210",8,86.1217,10.42
"2_deoxyguanosine_5_triphosphate","bmse000210",9,85.9663,1.24
"2_deoxyguanosine_5_triphosphate","bmse000210",10,73.5912,12.5
"2_deoxyguanosine_5_triphosphate","bmse000210",11,73.4257,1.36
"2_deoxyguanosine_5_triphosphate","bmse000210",12,68.0836,4.3
"2_deoxyguanosine_5_triphosphate","bmse000210",13,68.0298,4.01
"2_deoxyguanosine_5_triphosphate","bmse000210",14,60.1564,2.92
"2_deoxyguanosine_5_triphosphate","bmse000210",15,41.4696,9.7
"2_deoxyguanosine_5_triphosphate","bmse000210",16,19.5226,3.19
"L_glutathione_reduced","bmse000185",1,179.0844,3.34
"L_glutathione_reduced","bmse000185",2,177.7381,6.24
"L_glutathione_reduced","bmse000185",3,176.8762,4.09
"L_glutathione_reduced","bmse000185",4,174.517,4.49
"L_glutathione_reduced","bmse000185",5,58.485,9.28
"L_glutathione_reduced","bmse000185",6,56.8252,12.5
"L_glutathione_reduced","bmse000185",7,46.0594,11.98
"L_glutathione_reduced","bmse000185",8,34.0617,10.25
"L_glutathione_reduced","bmse000185",9,28.9279,10.05
"L_glutathione_reduced","bmse000185",10,28.2991,8.79
"L-ascorbate","bmse000182",1,180.3168,1.43
"L-ascorbate","bmse000182",2,178.4832,2.74
"L-ascorbate","bmse000182",3,115.802,1.21
"L-ascorbate","bmse000182",4,81.1004,12.5
"L-ascorbate","bmse000182",5,72.2534,11.82
"L-ascorbate","bmse000182",6,65.2522,10.99
"glycerol","bmse000184",1,74.7687,5.34
"glycerol","bmse000184",2,65.1855,12.5
"succinic_acid","bmse000183",1,185.1723,12.5
"diethyl_oxalacetate","bmse000148",1,175.4103,2.81
"diethyl_oxalacetate","bmse000148",2,174.3091,2.64
"diethyl_oxalacetate","bmse000148",3,173.4326,3.11
"diethyl_oxalacetate","bmse000148",4,168.1048,3.57
"diethyl_oxalacetate","bmse000148",5,163.0751,2.84
"diethyl_oxalacetate","bmse000148",6,107.9727,2.93
"diethyl_oxalacetate","bmse000148",7,66.4032,12.5
"diethyl_oxalacetate","bmse000148",8,64.8073,11.65
"diethyl_oxalacetate","bmse000148",9,63.2252,12.35
"diethyl_oxalacetate","bmse000148",10,60.1425,6.53
"diethyl_oxalacetate","bmse000148",11,19.5054,7.69
"diethyl_oxalacetate","bmse000148",12,16.4349,10.31
"diethyl_oxalacetate","bmse000148",13,16.0264,10.85
"diethyl_oxalacetate","bmse000148",14,15.8307,11.05
"diethyl_oxalacetate","bmse000148",15,8.3719,1.46
"methyl_4_aminobutyrate","bmse000249",1,178.332,2.3
"methyl_4_aminobutyrate","bmse000249",2,55.0318,9.91
"methyl_4_aminobutyrate","bmse000249",3,41.3931,9.31
"methyl_4_aminobutyrate","bmse000249",4,33.2371,12.5
"methyl_4_aminobutyrate","bmse000249",5,24.7364,10.01
"acetic_acid","bmse000191",1,25.9921,12.5
"DL_alpha_glycerol_phosphate","bmse000193",1,74.017,6.6
"DL_alpha_glycerol_phosphate","bmse000193",2,73.9509,6.61
"DL_alpha_glycerol_phosphate","bmse000193",3,67.5764,6.42
"DL_alpha_glycerol_phosphate","bmse000193",4,67.5279,6.33
"DL_alpha_glycerol_phosphate","bmse000193",5,64.9909,12.5
"L_arginine_L_glutamate","bmse000194",1,184.0271,2.62
"L_arginine_L_glutamate","bmse000194",2,177.3004,2.69
"L_arginine_L_glutamate","bmse000194",3,177.2486,3.51
"L_arginine_L_glutamate","bmse000194",4,159.5217,1.58
"L_arginine_L_glutamate","bmse000194",5,57.3276,11.34
"L_arginine_L_glutamate","bmse000194",6,56.9877,12.33
"L_arginine_L_glutamate","bmse000194",7,43.187,10.69
"L_arginine_L_glutamate","bmse000194",8,36.1773,12.5
"L_arginine_L_glutamate","bmse000194",9,30.2821,11.31
"L_arginine_L_glutamate","bmse000194",10,29.6813,11.66
"L_arginine_L_glutamate","bmse000194",11,26.565,9.36
"N_alpha_acetyl_DL_ornithine","bmse000195",1,181.278,2.84
"N_alpha_acetyl_DL_ornithine","bmse000195",2,176.3942,3.3
"N_alpha_acetyl_DL_ornithine","bmse000195",3,57.2647,12.5
"N_alpha_acetyl_DL_ornithine","bmse000195",4,41.7026,11.36
"N_alpha_acetyl_DL_ornithine","bmse000195",5,31.2562,11.58
"N_alpha_acetyl_DL_ornithine","bmse000195",6,26.1175,10.85
"N_alpha_acetyl_DL_ornithine","bmse000195",7,24.6039,9.43
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",1,177.1802,4.22
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",2,100.7816,12.14
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",3,74.3693,12.5
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",4,73.8173,11.87
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",5,72.6604,11.86
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",6,63.2442,9.78
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",7,57.84,10.7
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",8,56.3295,11.36
"methyl_N_acetyl_alpha_D_glucosaminide","bmse000196",9,24.5939,9.03
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",1,177.4262,6.89
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",2,95.5064,6.59
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",3,95.4519,6.61
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",4,74.8112,12.48
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",5,74.1248,11.53
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",6,72.717,12.5
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",7,63.3991,10.48
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",8,60.1385,1.19
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",9,56.8941,6.31
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",10,56.82,5.92
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",11,24.8547,11.82
"N_acetyl_D_glucosamine_1_phosphate","bmse000197",12,19.5064,1.35
"6_phosphogluconic_acid","bmse000198",1,181.6058,3.57
"6_phosphogluconic_acid","bmse000198",2,76.871,10.24
"6_phosphogluconic_acid","bmse000198",3,74.5728,12.34
"6_phosphogluconic_acid","bmse000198",4,73.5923,12.5
"6_phosphogluconic_acid","bmse000198",5,73.3427,6.13
"6_phosphogluconic_acid","bmse000198",6,73.2817,6
"6_phosphogluconic_acid","bmse000198",7,67.8378,5.3
"6_phosphogluconic_acid","bmse000198",8,67.7897,5.02
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",1,177.4856,7.09
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",2,169.018,6.26
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",3,154.5678,4.71
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",4,144.3458,8.41
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",5,105.3664,9.76
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",6,97.2217,5.52
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",7,97.1586,5.3
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",8,91.2324,10.4
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",9,85.9265,5.45
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",10,85.8356,5.37
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",11,76.5038,12.5
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",12,75.7265,10.47
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",13,73.618,9.4
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",14,72.3363,12.03
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",15,72.1894,10.68
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",16,67.7104,4.06
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",17,67.6547,4.21
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",18,63.011,8.29
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",19,56.4123,4.85
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",20,56.3279,4.86
"uridine_5_diphospho_N_acetlyglucosamine","bmse000188",21,24.8017,11.06
"D_glucosamine_6_phosphate","bmse000189",1,96.7641,3.96
"D_glucosamine_6_phosphate","bmse000189",2,92.5468,9.11
"D_glucosamine_6_phosphate","bmse000189",3,78.573,7.72
"D_glucosamine_6_phosphate","bmse000189",4,78.5029,8.09
"D_glucosamine_6_phosphate","bmse000189",5,75.3,3.82
"D_glucosamine_6_phosphate","bmse000189",6,74.241,8.9
"D_glucosamine_6_phosphate","bmse000189",7,74.1735,8.79
"D_glucosamine_6_phosphate","bmse000189",8,72.61,7.6
"D_glucosamine_6_phosphate","bmse000189",9,72.216,8.01
"D_glucosamine_6_phosphate","bmse000189",10,72.0861,11.81
"D_glucosamine_6_phosphate","bmse000189",11,65.6945,5.67
"D_glucosamine_6_phosphate","bmse000189",12,65.5318,8.2
"D_glucosamine_6_phosphate","bmse000189",13,59.9922,8.37
"D_glucosamine_6_phosphate","bmse000189",14,57.442,12.5
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",1,177.6459,3.99
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",2,177.3558,6.21
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",3,97.9785,9.64
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",4,93.8355,12.5
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",5,78.3788,4.55
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",6,78.3082,5
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",7,76.3335,8.77
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",8,74.1312,5.77
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",9,74.0636,5.71
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",10,73.273,9.62
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",11,72.5985,6.43
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",12,72.4066,4.3
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",13,65.8183,6.34
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",14,59.7314,6.92
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",15,57.09,11.32
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",16,25.09,7.17
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",17,24.8284,8.82
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",18,24.6366,2.13
"N_acetyl_D_glucosamine_6_phosphate","bmse000205",19,8.3826,2.3
"formate","bmse000203",1,173.8915,12.5
"HEPES","bmse000202",1,60.8048,5.44
"HEPES","bmse000202",2,58.5772,7.51
"HEPES","bmse000202",3,54.5149,8.11
"HEPES","bmse000202",4,54.0844,12.5
"HEPES","bmse000202",5,52.383,11.07
"HEPES","bmse000202",6,50.0053,7.83
"D_citrulline","bmse000209",1,177.3935,5.6
"D_citrulline","bmse000209",2,164.2858,1.35
"D_citrulline","bmse000209",3,57.1942,10.87
"D_citrulline","bmse000209",4,41.9172,1.9
"D_citrulline","bmse000209",5,30.442,12.5
"D_citrulline","bmse000209",6,27.6603,6.22
"tryptamine","bmse000207",1,139.1467,1.96
"tryptamine","bmse000207",2,129.1548,2.05
"tryptamine","bmse000207",3,127.0515,9.42
"tryptamine","bmse000207",4,124.8771,12.23
"tryptamine","bmse000207",5,122.1292,11.7
"tryptamine","bmse000207",6,121.0332,11.62
"tryptamine","bmse000207",7,114.7782,11.66
"tryptamine","bmse000207",8,111.7871,2.5
"tryptamine","bmse000207",9,42.4461,10.28
"tryptamine","bmse000207",10,25.3872,12.5
"caffeine","bmse000206",1,158.3677,2.3
"caffeine","bmse000206",2,154.8444,2.1
"caffeine","bmse000206",3,150.6943,2.53
"caffeine","bmse000206",4,146.1726,12.5
"caffeine","bmse000206",5,109.992,1.93
"caffeine","bmse000206",6,36.1671,12
"caffeine","bmse000206",7,32.5176,11.72
"caffeine","bmse000206",8,30.6092,12.15
"DL_serine","bmse000222",1,175.1858,1.49
"DL_serine","bmse000222",2,62.8818,12.5
"DL_serine","bmse000222",3,59.0696,9.18
"kanamycin","bmse000201",1,103.0882,11.25
"kanamycin","bmse000201",2,99.3708,11.19
"kanamycin","bmse000201",3,87.4547,11.03
"kanamycin","bmse000201",4,82.3518,10.12
"kanamycin","bmse000201",5,76.1335,11.05
"kanamycin","bmse000201",6,75.2746,11.27
"kanamycin","bmse000201",7,74.8051,11.96
"kanamycin","bmse000201",8,73.8216,11.92
"kanamycin","bmse000201",9,73.7132,12.5
"kanamycin","bmse000201",10,71.3274,11.8
"kanamycin","bmse000201",11,71.2135,10.89
"kanamycin","bmse000201",12,68.4669,11.25
"kanamycin","bmse000201",13,62.5738,8.79
"kanamycin","bmse000201",14,57.6876,10.31
"kanamycin","bmse000201",15,52.8142,10.87
"kanamycin","bmse000201",16,50.8624,10.67
"kanamycin","bmse000201",17,43.1772,9.79
"kanamycin","bmse000201",18,32.4006,6.43
"D_galacturonic_acid","bmse000216",1,178.7328,1.92
"D_galacturonic_acid","bmse000216",2,177.8683,2.95
"D_galacturonic_acid","bmse000216",3,103.6266,1.14
"D_galacturonic_acid","bmse000216",4,98.6973,11.64
"D_galacturonic_acid","bmse000216",5,94.8821,8.1
"D_galacturonic_acid","bmse000216",6,86.1096,1.16
"D_galacturonic_acid","bmse000216",7,83.8927,1.25
"D_galacturonic_acid","bmse000216",8,78.2191,12.5
"D_galacturonic_acid","bmse000216",9,75.5921,12.15
"D_galacturonic_acid","bmse000216",10,74.2733,11.54
"D_galacturonic_acid","bmse000216",11,74.0687,8.3
"D_galacturonic_acid","bmse000216",12,73.5175,7.92
"D_galacturonic_acid","bmse000216",13,73.4128,1.2
"D_galacturonic_acid","bmse000216",14,73.0403,11.9
"D_galacturonic_acid","bmse000216",15,72.0425,8.11
"D_galacturonic_acid","bmse000216",16,70.7295,8.19
"melibiose","bmse000215",1,100.9074,4.94
"melibiose","bmse000215",2,100.8624,8.18
"melibiose","bmse000215",3,98.7735,7.77
"melibiose","bmse000215",4,94.8936,4.8
"melibiose","bmse000215",5,78.5818,7.92
"melibiose","bmse000215",6,77.0481,7.86
"melibiose","bmse000215",7,76.7432,7.91
"melibiose","bmse000215",8,75.641,4.51
"melibiose","bmse000215",9,74.115,4.66
"melibiose","bmse000215",10,73.6521,8.63
"melibiose","bmse000215",11,72.7897,4.38
"melibiose","bmse000215",12,72.2675,4.58
"melibiose","bmse000215",13,72.1681,11.13
"melibiose","bmse000215",14,72.1168,8.41
"melibiose","bmse000215",15,71.8969,12.5
"melibiose","bmse000215",16,71.1809,5.01
"melibiose","bmse000215",17,71.1499,8
"melibiose","bmse000215",18,68.5997,3.4
"melibiose","bmse000215",19,68.5048,5.74
"melibiose","bmse000215",20,63.7993,7.48
"raffinose","bmse000221",1,106.4984,12
"raffinose","bmse000221",2,101.1619,11.75
"raffinose","bmse000221",3,94.8107,10.5
"raffinose","bmse000221",4,84.0386,10.37
"raffinose","bmse000221",5,78.9908,10.66
"raffinose","bmse000221",6,76.6708,10.74
"raffinose","bmse000221",7,75.3481,10.62
"raffinose","bmse000221",8,74.0893,10.03
"raffinose","bmse000221",9,73.7298,10.76
"raffinose","bmse000221",10,73.6491,10.76
"raffinose","bmse000221",11,72.1375,11.45
"raffinose","bmse000221",12,72.0811,10.61
"raffinose","bmse000221",13,71.8977,12.5
"raffinose","bmse000221",14,71.1782,10.63
"raffinose","bmse000221",15,68.5609,7.4
"raffinose","bmse000221",16,65.174,9.27
"raffinose","bmse000221",17,64.0591,8.59
"raffinose","bmse000221",18,63.8064,10.78
"phenylacetic_acid","bmse000220",1,140.0132,1.48
"phenylacetic_acid","bmse000220",2,131.8678,12.4
"phenylacetic_acid","bmse000220",3,131.3739,12.5
"phenylacetic_acid","bmse000220",4,129.1624,7.27
"phenylacetic_acid","bmse000220",5,47.1763,7.68
"quinolinic_acid","bmse000219",1,151.0633,4.64
"quinolinic_acid","bmse000219",2,139.9295,12.5
"quinolinic_acid","bmse000219",3,134.2225,1.66
"quinolinic_acid","bmse000219",4,126.3609,1.43
"L_arabinose","bmse000213",1,99.4707,11.84
"L_arabinose","bmse000213",2,95.2773,6.36
"L_arabinose","bmse000213",3,85.6557,1.01
"L_arabinose","bmse000213",4,75.1558,12.46
"L_arabinose","bmse000213",5,74.5445,11.65
"L_arabinose","bmse000213",6,71.3975,5.23
"L_arabinose","bmse000213",7,71.291,6.33
"L_arabinose","bmse000213",8,71.19,12.5
"L_arabinose","bmse000213",9,71.1316,6.46
"L_arabinose","bmse000213",10,69.092,10.76
"L_arabinose","bmse000213",11,65.1629,5.63
"L_arabinose","bmse000213",12,63.7809,1.01
"maleic_acid","bmse000212",1,178.0156,12.5
"maleic_acid","bmse000212",2,138.0455,2.52
"trimethylamine","bmse000224",1,47.3627,12.5
"FAD","bmse000226",1,164.0687,6.03
"FAD","bmse000226",2,160.4644,6.44
"FAD","bmse000226",3,157.4008,5.27
"FAD","bmse000226",4,155.0401,6.79
"FAD","bmse000226",5,153.2024,6.31
"FAD","bmse000226",6,152.7018,4.88
"FAD","bmse000226",7,150.7506,8.42
"FAD","bmse000226",8,141.8033,9.25
"FAD","bmse000226",9,137.3022,7.38
"FAD","bmse000226",10,136.7199,6.9
"FAD","bmse000226",11,134.1126,5.24
"FAD","bmse000226",12,133.1145,6.31
"FAD","bmse000226",13,120.4006,4.97
"FAD","bmse000226",14,119.1392,5.98
"FAD","bmse000226",15,89.8286,8.42
"FAD","bmse000226",16,86.1706,4.9
"FAD","bmse000226",17,77.5902,9.53
"FAD","bmse000226",18,75.1902,7.63
"FAD","bmse000226",19,73.8874,4.74
"FAD","bmse000226",20,72.6742,9.77
"FAD","bmse000226",21,72.0204,7.14
"FAD","bmse000226",22,49.8304,4.6
"FAD","bmse000226",23,23.4503,12.23
"FAD","bmse000226",24,21.3064,12.5
"biotin","bmse000227",1,186.5202,3.08
"biotin","bmse000227",2,168.1155,1.31
"biotin","bmse000227",3,64.7083,11.47
"biotin","bmse000227",4,62.9655,10.94
"biotin","bmse000227",5,58.0656,12.5
"biotin","bmse000227",6,42.4481,10.02
"biotin","bmse000227",7,40.0331,11.31
"biotin","bmse000227",8,30.9897,10.73
"biotin","bmse000227",9,30.4007,10.87
"biotin","bmse000227",10,28.3888,11.03
"L_malic_acid","bmse000238",1,183.7653,2.22
"L_malic_acid","bmse000238",2,182.5621,2.11
"L_malic_acid","bmse000238",3,73.0565,11
"L_malic_acid","bmse000238",4,45.325,12.5
"DL_pipecolic_acid","bmse000237",1,177.3687,2.02
"DL_pipecolic_acid","bmse000237",2,61.7014,10.46
"DL_pipecolic_acid","bmse000237",3,46.3684,11.14
"DL_pipecolic_acid","bmse000237",4,29.2254,12.03
"DL_pipecolic_acid","bmse000237",5,24.5183,12.5
"DL_pipecolic_acid","bmse000237",6,24.2597,11.72
"alpha_naphthoic_acid","bmse000178",1,180.9525,1.22
"alpha_naphthoic_acid","bmse000178",2,140.3164,2.38
"alpha_naphthoic_acid","bmse000178",3,136.0023,3.43
"alpha_naphthoic_acid","bmse000178",4,131.8378,2.83
"alpha_naphthoic_acid","bmse000178",5,131.5775,11.93
"alpha_naphthoic_acid","bmse000178",6,130.9661,12.32
"alpha_naphthoic_acid","bmse000178",7,129.4469,11.78
"alpha_naphthoic_acid","bmse000178",8,128.9278,12.24
"alpha_naphthoic_acid","bmse000178",9,128.3008,11.2
"alpha_naphthoic_acid","bmse000178",10,128.1263,11.47
"alpha_naphthoic_acid","bmse000178",11,126.9179,12.5
"L_lactic_acid","bmse000208",1,185.2568,1.47
"L_lactic_acid","bmse000208",2,71.1986,10.31
"L_lactic_acid","bmse000208",3,22.7605,12.5
"thymidine","bmse000244",1,169.2606,1.96
"thymidine","bmse000244",2,154.4362,2.17
"thymidine","bmse000244",3,140.2111,10.41
"thymidine","bmse000244",4,114.1556,4.85
"thymidine","bmse000244",5,89.1962,12.5
"thymidine","bmse000244",6,87.7135,11.37
"thymidine","bmse000244",7,73.1301,12.1
"thymidine","bmse000244",8,63.8632,10.49
"thymidine","bmse000244",9,41.1957,10.46
"thymidine","bmse000244",10,14.2614,10.1
"citraconic_acid","bmse000199",1,182.5855,1.19
"citraconic_acid","bmse000199",2,177.0006,1.62
"citraconic_acid","bmse000199",3,150.7235,3.14
"citraconic_acid","bmse000199",4,122.9987,12.5
"citraconic_acid","bmse000199",5,23.083,10.26
"homogentisic_acid","bmse000200",1,183.4495,2.25
"homogentisic_acid","bmse000200",2,151.5798,3.49
"homogentisic_acid","bmse000200",3,150.3577,2.71
"homogentisic_acid","bmse000200",4,128.3103,4.07
"homogentisic_acid","bmse000200",5,120.3611,12.12
"homogentisic_acid","bmse000200",6,119.7948,12.5
"homogentisic_acid","bmse000200",7,117.1989,12.11
"homogentisic_acid","bmse000200",8,42.6626,11.69
"isonicotinic_acid","bmse000133",1,152.265,11.27
"isonicotinic_acid","bmse000133",2,143.3482,1.49
"isonicotinic_acid","bmse000133",3,124.3227,12.5
"homovanillic_acid","bmse000132",1,184.0342,2.31
"homovanillic_acid","bmse000132",2,149.9125,2.75
"homovanillic_acid","bmse000132",3,145.8277,2.64
"homovanillic_acid","bmse000132",4,132.7556,4.92
"homovanillic_acid","bmse000132",5,124.6363,12.01
"homovanillic_acid","bmse000132",6,118.1634,12.5
"homovanillic_acid","bmse000132",7,116.1596,11.86
"homovanillic_acid","bmse000132",8,58.5972,11.89
"homovanillic_acid","bmse000132",9,46.5865,11.75
"cyanuric_acid","bmse000135",1,158.7585,12.5
"ethacrynic_acid","bmse000134",1,202.3118,4.43
"ethacrynic_acid","bmse000134",2,177.9826,5
"ethacrynic_acid","bmse000134",3,158.7271,7.04
"ethacrynic_acid","bmse000134",4,152.4416,9.11
"ethacrynic_acid","bmse000134",5,134.6377,7.45
"ethacrynic_acid","bmse000134",6,134.3055,7.14
"ethacrynic_acid","bmse000134",7,133.1034,4.2
"ethacrynic_acid","bmse000134",8,130.6445,11.98
"ethacrynic_acid","bmse000134",9,124.6188,3.16
"ethacrynic_acid","bmse000134",10,113.5528,12.1
"ethacrynic_acid","bmse000134",11,70.3721,12.5
"ethacrynic_acid","bmse000134",12,25.8093,12.14
"ethacrynic_acid","bmse000134",13,14.5372,10.57
"itaconic_acid","bmse000137",1,183.4319,1.66
"itaconic_acid","bmse000137",2,144.4598,3.08
"itaconic_acid","bmse000137",3,124.7498,11.94
"itaconic_acid","bmse000137",4,44.7199,12.5
"amygdalin","bmse000139",1,135.1591,3.04
"amygdalin","bmse000139",2,133.2211,4.82
"amygdalin","bmse000139",3,132.0805,12.5
"amygdalin","bmse000139",4,130.5071,12.26
"amygdalin","bmse000139",5,121.2539,2.79
"amygdalin","bmse000139",6,105.5549,5
"amygdalin","bmse000139",7,104.1485,4.67
"amygdalin","bmse000139",8,78.6035,5.33
"amygdalin","bmse000139",9,78.2945,5.19
"amygdalin","bmse000139",10,78.182,4.9
"amygdalin","bmse000139",11,78.0819,4.95
"amygdalin","bmse000139",12,75.9,5.09
"amygdalin","bmse000139",13,75.4567,4.78
"amygdalin","bmse000139",14,72.369,5.36
"amygdalin","bmse000139",15,71.8621,4.67
"amygdalin","bmse000139",16,71.7644,5.77
"amygdalin","bmse000139",17,70.9831,3.34
"amygdalin","bmse000139",18,63.4233,3.79
"D_cellobiose","bmse000138",1,105.2663,8.21
"D_cellobiose","bmse000138",2,105.2381,5.61
"D_cellobiose","bmse000138",3,98.4528,7.32
"D_cellobiose","bmse000138",4,94.5197,4.61
"D_cellobiose","bmse000138",5,81.4215,4.68
"D_cellobiose","bmse000138",6,81.2838,7.67
"D_cellobiose","bmse000138",7,78.6932,12.12
"D_cellobiose","bmse000138",8,78.1874,12.5
"D_cellobiose","bmse000138",9,77.5013,7.76
"D_cellobiose","bmse000138",10,76.9856,7.78
"D_cellobiose","bmse000138",11,76.5907,7.38
"D_cellobiose","bmse000138",12,75.8703,9.08
"D_cellobiose","bmse000138",13,74.0348,4.8
"D_cellobiose","bmse000138",14,73.925,5.13
"D_cellobiose","bmse000138",15,72.8163,4.72
"D_cellobiose","bmse000138",16,72.1615,6.12
"D_cellobiose","bmse000138",17,72.1439,8.59
"D_cellobiose","bmse000138",18,63.2643,6.56
"D_cellobiose","bmse000138",19,62.74,5.36
"D_cellobiose","bmse000138",20,62.606,3.56
"gamma_D_galactonolactone","bmse000141",1,178.7234,2.86
"gamma_D_galactonolactone","bmse000141",2,82.7298,12.5
"gamma_D_galactonolactone","bmse000141",3,76.4007,12.48
"gamma_D_galactonolactone","bmse000141",4,75.5187,12.19
"gamma_D_galactonolactone","bmse000141",5,74.2346,3.63
"gamma_D_galactonolactone","bmse000141",6,74.0161,3.26
"gamma_D_galactonolactone","bmse000141",7,72.7812,3.45
"gamma_D_galactonolactone","bmse000141",8,72.4324,3.36
"gamma_D_galactonolactone","bmse000141",9,71.5773,12.34
"gamma_D_galactonolactone","bmse000141",10,66.0277,3.07
"gamma_D_galactonolactone","bmse000141",11,64.6899,11.19
"D_glucuronate","bmse000140",1,179.6525,1.52
"D_glucuronate","bmse000140",2,178.6724,2.78
"D_glucuronate","bmse000140",3,98.5755,11.73
"D_glucuronate","bmse000140",4,94.8123,7.69
"D_glucuronate","bmse000140",5,78.959,12.5
"D_glucuronate","bmse000140",6,78.2467,11.99
"D_glucuronate","bmse000140",7,76.6906,11.59
"D_glucuronate","bmse000140",8,75.2591,7.37
"D_glucuronate","bmse000140",9,74.8051,6.93
"D_glucuronate","bmse000140",10,74.5748,8
"D_glucuronate","bmse000140",11,74.5431,12.46
"D_glucuronate","bmse000140",12,73.9985,7.55
"L_gulonolactone","bmse000235",1,180.7006,2.42
"L_gulonolactone","bmse000235",2,84.0626,11.74
"L_gulonolactone","bmse000235",3,76.1965,2.96
"L_gulonolactone","bmse000235",4,75.331,3.02
"L_gulonolactone","bmse000235",5,74.9955,3.01
"L_gulonolactone","bmse000235",6,73.5223,12.5
"L_gulonolactone","bmse000235",7,73.1631,3.21
"L_gulonolactone","bmse000235",8,72.7983,12.19
"L_gulonolactone","bmse000235",9,72.2798,12.42
"L_gulonolactone","bmse000235",10,65.2205,2.74
"L_gulonolactone","bmse000235",11,64.1843,11.09
"glycogen","bmse000232",1,102.5103,8.96
"glycogen","bmse000232",2,79.5505,5.53
"glycogen","bmse000232",3,75.5834,9.32
"glycogen","bmse000232",4,74.2061,12.5
"glycogen","bmse000232",5,72.0454,4.53
"glycogen","bmse000232",6,63.2055,9.29
"melibiose","bmse000233",1,100.9084,5.19
"melibiose","bmse000233",2,100.8632,7.98
"melibiose","bmse000233",3,98.7735,7.66
"melibiose","bmse000233",4,94.8931,4.76
"melibiose","bmse000233",5,78.5818,7.97
"melibiose","bmse000233",6,77.0484,7.73
"melibiose","bmse000233",7,76.7428,7.76
"melibiose","bmse000233",8,75.6402,4.58
"melibiose","bmse000233",9,74.1149,4.63
"melibiose","bmse000233",10,73.6528,8.49
"melibiose","bmse000233",11,72.7893,4.29
"melibiose","bmse000233",12,72.267,4.52
"melibiose","bmse000233",13,72.1674,11.07
"melibiose","bmse000233",14,72.1167,8.55
"melibiose","bmse000233",15,71.8963,12.5
"melibiose","bmse000233",16,71.1803,5.19
"melibiose","bmse000233",17,71.1491,7.83
"melibiose","bmse000233",18,68.5995,3.44
"melibiose","bmse000233",19,68.5046,5.7
"melibiose","bmse000233",20,63.7983,7.42
"D_glucono_1_5_lactone","bmse000230",1,181.2312,2.98
"D_glucono_1_5_lactone","bmse000230",2,76.6877,12.5
"D_glucono_1_5_lactone","bmse000230",3,75.204,12.42
"D_glucono_1_5_lactone","bmse000230",4,73.8622,12.42
"D_glucono_1_5_lactone","bmse000230",5,73.6372,12.42
"D_glucono_1_5_lactone","bmse000230",6,65.3046,10.99
"N_acetyl_D_glucosamine","bmse000231",1,177.4899,2.8
"N_acetyl_D_glucosamine","bmse000231",2,177.2462,4.07
"N_acetyl_D_glucosamine","bmse000231",3,97.6343,8.26
"N_acetyl_D_glucosamine","bmse000231",4,93.5456,12.5
"N_acetyl_D_glucosamine","bmse000231",5,78.6606,9.02
"N_acetyl_D_glucosamine","bmse000231",6,76.5921,8.56
"N_acetyl_D_glucosamine","bmse000231",7,74.2719,12.4
"N_acetyl_D_glucosamine","bmse000231",8,73.3628,12.21
"N_acetyl_D_glucosamine","bmse000231",9,72.7507,12.34
"N_acetyl_D_glucosamine","bmse000231",10,72.5242,8.84
"N_acetyl_D_glucosamine","bmse000231",11,63.4249,7.22
"N_acetyl_D_glucosamine","bmse000231",12,63.2564,10.49
"N_acetyl_D_glucosamine","bmse000231",13,59.3824,8.25
"N_acetyl_D_glucosamine","bmse000231",14,56.8002,11.86
"N_acetyl_D_glucosamine","bmse000231",15,24.8865,6.38
"N_acetyl_D_glucosamine","bmse000231",16,24.609,9.19
"polygalacturonic_acid","bmse000228",1,178.1914,12.5
"polygalacturonic_acid","bmse000228",2,101.6522,9.97
"polygalacturonic_acid","bmse000228",3,80.5569,9.65
"polygalacturonic_acid","bmse000228",4,73.9772,8.45
"polygalacturonic_acid","bmse000228",5,71.4996,8.28
"polygalacturonic_acid","bmse000228",6,70.7598,8.29
"polygalacturonic_acid","bmse000228",7,26.4074,3.65
"D_saccharate","bmse000239",1,181.3679,2.13
"D_saccharate","bmse000239",2,181.237,1.95
"D_saccharate","bmse000239",3,76.4264,11.96
"D_saccharate","bmse000239",4,76.4165,12.5
"D_saccharate","bmse000239",5,76.2846,9.51
"D_saccharate","bmse000239",6,74.3621,9.95
"stachyose","bmse000240",1,106.5168,12.21
"stachyose","bmse000240",2,101.06,8.92
"stachyose","bmse000240",3,100.7169,10.76
"stachyose","bmse000240",4,94.8219,8.89
"stachyose","bmse000240",5,84.0524,9.16
"stachyose","bmse000240",6,78.9976,9.04
"stachyose","bmse000240",7,76.6795,9.2
"stachyose","bmse000240",8,75.4111,9
"stachyose","bmse000240",9,73.9757,8.23
"stachyose","bmse000240",10,73.7006,10.47
"stachyose","bmse000240",11,73.6476,9.63
"stachyose","bmse000240",12,72.1972,12.5
"stachyose","bmse000240",13,72.173,10.25
"stachyose","bmse000240",14,72.0684,10.06
"stachyose","bmse000240",15,72.0362,10.92
"stachyose","bmse000240",16,71.9303,12.49
"stachyose","bmse000240",17,71.5019,8.73
"stachyose","bmse000240",18,71.1393,9.07
"stachyose","bmse000240",19,70.9835,10.63
"stachyose","bmse000240",20,69.1734,6.48
"stachyose","bmse000240",21,68.5201,5.87
"stachyose","bmse000240",22,65.1886,8.65
"stachyose","bmse000240",23,64.0756,7.23
"stachyose","bmse000240",24,63.8499,10.36
"L_tartaric_acid","bmse000167",1,181.2992,12.5
"D_xylonate_cadmium","bmse000166",1,181.2863,3.14
"D_xylonate_cadmium","bmse000166",2,75.334,10.18
"D_xylonate_cadmium","bmse000166",3,75.0844,12.5
"D_xylonate_cadmium","bmse000166",4,65.059,9.59
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",1,177.4252,6.68
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",2,95.4941,6.42
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",3,95.4396,6.74
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",4,74.801,12.35
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",5,74.139,11.43
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",6,72.7232,12.5
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",7,63.4049,10.26
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",8,60.1376,1.31
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",9,56.8998,5.8
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",10,56.8264,6.12
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",11,24.8578,11.78
"N_acetyl_D_glucosamine_1_phosphate","bmse000163",12,19.5062,1.22
"L_ornithine","bmse000162",1,177.052,2.52
"L_ornithine","bmse000162",2,56.8032,12.42
"L_ornithine","bmse000162",3,41.5581,10.67
"L_ornithine","bmse000162",4,30.183,12.5
"L_ornithine","bmse000162",5,25.4674,10.78
"D_alanine","bmse000236",1,178.5839,1.59
"D_alanine","bmse000236",2,53.2011,9.79
"D_alanine","bmse000236",3,18.8519,12.5
"4_nitrophenol","bmse000223",1,130.0111,12.5
"4_nitrophenol","bmse000223",2,129.9947,12.29
"4_nitrophenol","bmse000223",3,120.3011,8.51
"4_nitrophenol","bmse000223",4,120.2591,10.79
"D_L_glyceraldehyde","bmse000225",1,92.4597,11.03
"D_L_glyceraldehyde","bmse000225",2,76.7639,11.48
"D_L_glyceraldehyde","bmse000225",3,64.6759,12.5
"4_hydroxycinnamic_acid","bmse000150",1,178.908,1.38
"4_hydroxycinnamic_acid","bmse000150",2,159.818,1.85
"4_hydroxycinnamic_acid","bmse000150",3,143.5246,4.55
"4_hydroxycinnamic_acid","bmse000150",4,132.2994,11.74
"4_hydroxycinnamic_acid","bmse000150",5,130.1932,2.25
"4_hydroxycinnamic_acid","bmse000150",6,124.1229,4.91
"4_hydroxycinnamic_acid","bmse000150",7,118.5321,12.5
"alpha_D_galactose_1_phosphate","bmse000151",1,96.62,5.96
"alpha_D_galactose_1_phosphate","bmse000151",2,96.566,5.93
"alpha_D_galactose_1_phosphate","bmse000151",3,73.8281,11.4
"alpha_D_galactose_1_phosphate","bmse000151",4,72.304,10.42
"alpha_D_galactose_1_phosphate","bmse000151",5,72.1558,12.5
"alpha_D_galactose_1_phosphate","bmse000151",6,71.7402,5.87
"alpha_D_galactose_1_phosphate","bmse000151",7,71.6737,5.84
"alpha_D_galactose_1_phosphate","bmse000151",8,64.0705,10.09
"dAMP","bmse000250",1,155.0627,3.71
"dAMP","bmse000250",2,142.9366,3.42
"dAMP","bmse000250",3,90.1821,11.54
"dAMP","bmse000250",4,87.3797,7.1
"dAMP","bmse000250",5,74.0139,10.26
"dAMP","bmse000250",6,64.4148,12.5
"dAMP","bmse000250",7,41.7694,7.82
"Oxalosuccinate","bmse000251",1,184.1371,2.15
"Oxalosuccinate","bmse000251",2,172.7664,1.95
"Oxalosuccinate","bmse000251",3,52.8383,1.48
"Oxalosuccinate","bmse000251",4,38.5758,5.93
"Oxalosuccinate","bmse000251",5,38.454,1.48
"Oxalosuccinate","bmse000251",6,38.2644,1.54
"Oxalosuccinate","bmse000251",7,38.0683,1.39
"Oxalosuccinate","bmse000251",8,36.9355,3.83
"Oxalosuccinate","bmse000251",9,35.3007,1.19
"Oxalosuccinate","bmse000251",10,34.9692,1.16
"Oxalosuccinate","bmse000251",11,33.3147,5.48
"Oxalosuccinate","bmse000251",12,33.2611,6.95
"Oxalosuccinate","bmse000251",13,33.2048,12.5
"Oxalosuccinate","bmse000251",14,25.9719,1.99
"Salicylate","bmse000252",1,178.336,1.8
"Salicylate","bmse000252",2,162.3095,1.9
"Salicylate","bmse000252",3,136.7054,12.5
"Salicylate","bmse000252",4,133.2002,11.8
"Salicylate","bmse000252",5,122.0978,11.69
"Salicylate","bmse000252",6,120.713,2.32
"Salicylate","bmse000252",7,119.007,12.31
"dADP","bmse000253",1,158.1421,4.9
"dADP","bmse000253",2,155.3005,9.18
"dADP","bmse000253",3,151.2181,2.23
"dADP","bmse000253",4,142.6258,3.6
"dADP","bmse000253",5,121.1832,1.88
"dADP","bmse000253",6,88.4189,5.03
"dADP","bmse000253",7,88.3329,5.02
"dADP","bmse000253",8,86.1412,10.03
"dADP","bmse000253",9,73.3197,12.5
"dADP","bmse000253",10,67.3652,4.1
"dADP","bmse000253",11,67.3129,3.98
"dADP","bmse000253",12,41.5514,9.81
"D_Fructose_1_phosphate","bmse000254",1,100.8301,3.74
"D_Fructose_1_phosphate","bmse000254",2,100.7578,3.97
"D_Fructose_1_phosphate","bmse000254",3,83.1443,1.21
"D_Fructose_1_phosphate","bmse000254",4,78.79,1.8
"D_Fructose_1_phosphate","bmse000254",5,76.8304,1.21
"D_Fructose_1_phosphate","bmse000254",6,72.0493,12.5
"D_Fructose_1_phosphate","bmse000254",7,71.8351,11.69
"D_Fructose_1_phosphate","bmse000254",8,70.5098,12.35
"D_Fructose_1_phosphate","bmse000254",9,68.9967,5.19
"D_Fructose_1_phosphate","bmse000254",10,68.9492,5.25
"D_Fructose_1_phosphate","bmse000254",11,66.0887,9.73
"D_Fructose_1_phosphate","bmse000254",12,64.969,2.12
"D_Fructose_1_phosphate","bmse000254",13,64.1264,1.29
"ITP","bmse000255",1,161.4399,4.25
"ITP","bmse000255",2,151.5943,2.62
"ITP","bmse000255",3,149.0201,9.65
"ITP","bmse000255",4,142.5226,5.74
"ITP","bmse000255",5,126.3562,2.24
"ITP","bmse000255",6,90.276,1.56
"ITP","bmse000255",7,89.9312,10.81
"ITP","bmse000255",8,86.8306,5.65
"ITP","bmse000255",9,86.7415,5.81
"ITP","bmse000255",10,77.2254,2.18
"ITP","bmse000255",11,77.1273,12.5
"ITP","bmse000255",12,72.8596,11.68
"ITP","bmse000255",13,72.5243,2.14
"ITP","bmse000255",14,67.7479,4.35
"ITP","bmse000255",15,67.695,4.23
"Formaldehyde","bmse000256",1,84.4358,12.5
"FMN","bmse000257",1,163.2526,6.78
"FMN","bmse000257",2,160.3175,7.33
"FMN","bmse000257",3,153.429,6.6
"FMN","bmse000257",4,152.3129,4.11
"FMN","bmse000257",5,142.1584,7.18
"FMN","bmse000257",6,136.6282,6.86
"FMN","bmse000257",7,136.1877,6.82
"FMN","bmse000257",8,134.1083,4
"FMN","bmse000257",9,132.8224,4.98
"FMN","bmse000257",10,119.7064,4.78
"FMN","bmse000257",11,75.2209,6.14
"FMN","bmse000257",12,74.4868,3.9
"FMN","bmse000257",13,74.4237,3.92
"FMN","bmse000257",14,72.0087,6.36
"FMN","bmse000257",15,67.8012,3.52
"FMN","bmse000257",16,50.1474,2.93
"FMN","bmse000257",17,23.466,11.62
"FMN","bmse000257",18,21.3437,12.5
"Glycolaldehyde","bmse000258",1,92.374,9.81
"Glycolaldehyde","bmse000258",2,67.1623,12.5
"4_Hydroxybenzaldehyde","bmse000259",1,197.0798,3.76
"4_Hydroxybenzaldehyde","bmse000259",2,136.1538,9.71
"4_Hydroxybenzaldehyde","bmse000259",3,129.545,1.03
"4_Hydroxybenzaldehyde","bmse000259",4,119.8609,12.5
"Nicotinamide_D_ribonucleotide","bmse000260",1,175.8236,3.35
"Nicotinamide_D_ribonucleotide","bmse000260",2,141.0654,10.52
"Nicotinamide_D_ribonucleotide","bmse000260",3,127.6138,9.12
"Nicotinamide_D_ribonucleotide","bmse000260",4,108.182,10.66
"Nicotinamide_D_ribonucleotide","bmse000260",5,103.4044,6.52
"Nicotinamide_D_ribonucleotide","bmse000260",6,103.1839,1.61
"Nicotinamide_D_ribonucleotide","bmse000260",7,97.6396,11.48
"Nicotinamide_D_ribonucleotide","bmse000260",8,85.9422,6.34
"Nicotinamide_D_ribonucleotide","bmse000260",9,85.8555,6.04
"Nicotinamide_D_ribonucleotide","bmse000260",10,80.4925,1.81
"Nicotinamide_D_ribonucleotide","bmse000260",11,74.2063,1.79
"Nicotinamide_D_ribonucleotide","bmse000260",12,73.4952,12.5
"Nicotinamide_D_ribonucleotide","bmse000260",13,73.3372,12.21
"Nicotinamide_D_ribonucleotide","bmse000260",14,66.7617,5.06
"Nicotinamide_D_ribonucleotide","bmse000260",15,66.7167,4.78
"Nicotinamide_D_ribonucleotide","bmse000260",16,24.6964,9.6
"Acetyl_phosphate","bmse000261",1,175.0096,3.44
"Acetyl_phosphate","bmse000261",2,25.9801,10.24
"Acetyl_phosphate","bmse000261",3,24.7883,12.5
"Acetyl_phosphate","bmse000261",4,24.7425,11.1
"3_4_Hydroxyphenyl_pyruvate","bmse000262",1,157.3242,1.3
"3_4_Hydroxyphenyl_pyruvate","bmse000262",2,133.865,7.91
"3_4_Hydroxyphenyl_pyruvate","bmse000262",3,118.3826,12.5
"3_4_Hydroxyphenyl_pyruvate","bmse000262",4,117.7478,1.45
"NADP","bmse000263",1,167.8496,4.47
"NADP","bmse000263",2,158.1147,5.39
"NADP","bmse000263",3,155.428,9.01
"NADP","bmse000263",4,151.6757,5.76
"NADP","bmse000263",5,148.3745,7.75
"NADP","bmse000263",6,145.0167,6.29
"NADP","bmse000263",7,142.8886,8.29
"NADP","bmse000263",8,142.5477,5.92
"NADP","bmse000263",9,136.304,8.28
"NADP","bmse000263",10,131.3453,8.51
"NADP","bmse000263",11,121.1612,3.82
"NADP","bmse000263",12,102.729,11.11
"NADP","bmse000263",13,89.8221,5.86
"NADP","bmse000263",14,89.7336,5.64
"NADP","bmse000263",15,89.2538,5.26
"NADP","bmse000263",16,89.1719,5.28
"NADP","bmse000263",17,85.7472,5.48
"NADP","bmse000263",18,85.6577,5.52
"NADP","bmse000263",19,80.3221,12.5
"NADP","bmse000263",20,78.7636,5.55
"NADP","bmse000263",21,78.722,5.71
"NADP","bmse000263",22,73.3731,12.23
"NADP","bmse000263",23,72.7335,7.06
"NADP","bmse000263",24,68.2193,4.11
"NADP","bmse000263",25,67.6754,4.43
"NADP","bmse000263",26,57.0544,1.98
"4_Nitrophenyl_phosphate","bmse000264",1,163.0405,1.08
"4_Nitrophenyl_phosphate","bmse000264",2,144.5179,1.04
"4_Nitrophenyl_phosphate","bmse000264",3,128.4131,12.5
"4_Nitrophenyl_phosphate","bmse000264",4,122.6671,7.06
"4_Nitrophenyl_phosphate","bmse000264",5,122.6148,7.04
"4_Nitrocatechol","bmse000265",1,164.1278,1.69
"4_Nitrocatechol","bmse000265",2,148.5107,2.32
"4_Nitrocatechol","bmse000265",3,138.4594,1.3
"4_Nitrocatechol","bmse000265",4,122.9045,11.12
"4_Nitrocatechol","bmse000265",5,118.6529,12.08
"4_Nitrocatechol","bmse000265",6,112.45,12.5
"UDP","bmse000266",1,169.0888,5
"UDP","bmse000266",2,154.545,3.74
"UDP","bmse000266",3,144.5243,8.52
"UDP","bmse000266",4,105.234,10.35
"UDP","bmse000266",5,91.4445,11.2
"UDP","bmse000266",6,85.9024,5.62
"UDP","bmse000266",7,85.8136,5.66
"UDP","bmse000266",8,76.5959,12.5
"UDP","bmse000266",9,71.8259,11.92
"UDP","bmse000266",10,66.8315,4.4
"UDP","bmse000266",11,66.7792,4.54
"Formamide","bmse000267",1,169.4492,12.5
"R_Lactate","bmse000269",1,185.265,2.92
"R_Lactate","bmse000269",2,71.1978,10.49
"R_Lactate","bmse000269",3,22.7641,12.5
"GDP","bmse000270",1,161.6068,4.89
"GDP","bmse000270",2,156.6326,5.27
"GDP","bmse000270",3,154.1538,4.67
"GDP","bmse000270",4,140.2801,1.14
"GDP","bmse000270",5,140.1096,6.84
"GDP","bmse000270",6,118.7579,3.69
"GDP","bmse000270",7,89.8065,11.14
"GDP","bmse000270",8,86.2198,5.66
"GDP","bmse000270",9,86.132,5.77
"GDP","bmse000270",10,76.7534,12.5
"GDP","bmse000270",11,72.5131,12.28
"GDP","bmse000270",12,67.1729,4.45
"GDP","bmse000270",13,67.1215,4.26
"CoA","bmse000271",1,177.6817,2.7
"CoA","bmse000271",2,177.4294,8.2
"CoA","bmse000271",3,176.8233,2.08
"CoA","bmse000271",4,176.7106,6.6
"CoA","bmse000271",5,158.389,5.21
"CoA","bmse000271",6,155.6654,8.04
"CoA","bmse000271",7,155.5753,5.97
"CoA","bmse000271",8,152.1398,5.55
"CoA","bmse000271",9,152.0219,2.76
"CoA","bmse000271",10,142.9347,4.88
"CoA","bmse000271",11,142.6212,6.68
"CoA","bmse000271",12,121.3186,3.76
"CoA","bmse000271",13,89.3885,6.08
"CoA","bmse000271",14,89.1901,9.09
"CoA","bmse000271",15,87.3585,1.54
"CoA","bmse000271",16,87.3087,1.85
"CoA","bmse000271",17,87.2237,1.74
"CoA","bmse000271",18,86.8498,2.3
"CoA","bmse000271",19,86.7595,2.57
"CoA","bmse000271",20,85.3884,1.1
"CoA","bmse000271",21,79.6453,1.28
"CoA","bmse000271",22,79.1396,1.19
"CoA","bmse000271",23,78.2226,1.22
"CoA","bmse000271",24,77.5422,4.25
"CoA","bmse000271",25,77.2177,3.82
"CoA","bmse000271",26,77.1851,3.69
"CoA","bmse000271",27,76.9949,5.4
"CoA","bmse000271",28,76.9604,4.74
"CoA","bmse000271",29,76.7805,9.52
"CoA","bmse000271",30,76.4673,4.19
"CoA","bmse000271",31,76.4236,8.22
"CoA","bmse000271",32,76.3796,5.46
"CoA","bmse000271",33,74.5542,4.24
"CoA","bmse000271",34,74.4922,3.65
"CoA","bmse000271",35,73.328,2.2
"CoA","bmse000271",36,73.2765,1.86
"CoA","bmse000271",37,68.4744,3.83
"CoA","bmse000271",38,68.4222,3.88
"CoA","bmse000271",39,66.6691,2.47
"CoA","bmse000271",40,66.6238,2.86
"CoA","bmse000271",41,45.0428,4.93
"CoA","bmse000271",42,44.9976,11.76
"CoA","bmse000271",43,44.9048,1.18
"CoA","bmse000271",44,41.1259,2.81
"CoA","bmse000271",45,41.0359,6.14
"CoA","bmse000271",46,40.9558,6.01
"CoA","bmse000271",47,40.7593,1.76
"CoA","bmse000271",48,39.1263,1.74
"CoA","bmse000271",49,38.2973,1.72
"CoA","bmse000271",50,38.1621,9.87
"CoA","bmse000271",51,38.0817,9.25
"CoA","bmse000271",52,25.7997,12.5
"CoA","bmse000271",53,24.0869,1.45
"CoA","bmse000271",54,23.9984,3.96
"CoA","bmse000271",55,23.5128,8.93
"CoA","bmse000271",56,22.6789,1.36
"CoA","bmse000271",57,20.9419,3.81
"CoA","bmse000271",58,20.7819,9.63
"CoA","bmse000271",59,20.1012,1.78
"CDP","bmse000272",1,168.8761,4.9
"CDP","bmse000272",2,160.4002,4.39
"CDP","bmse000272",3,144.5698,1.09
"CDP","bmse000272",4,144.266,8.55
"CDP","bmse000272",5,99.3648,1.46
"CDP","bmse000272",6,99.2242,9.38
"CDP","bmse000272",7,92.2295,11.24
"CDP","bmse000272",8,91.8456,1.72
"CDP","bmse000272",9,85.3396,5.74
"CDP","bmse000272",10,85.2502,5.69
"CDP","bmse000272",11,77.0076,12.5
"CDP","bmse000272",12,72.3706,1.47
"CDP","bmse000272",13,71.4858,12.07
"CDP","bmse000272",14,66.6366,4.51
"CDP","bmse000272",15,66.5841,4.41
"D_Aspartate","bmse000273",1,180.3052,2.2
"D_Aspartate","bmse000273",2,177.0122,1.98
"D_Aspartate","bmse000273",3,54.9072,9.91
"D_Aspartate","bmse000273",4,39.2644,12.5
"Thiamin","bmse000274",1,171.726,5.58
"Thiamin","bmse000274",2,164.5163,3.11
"Thiamin","bmse000274",3,159.8969,10.99
"Thiamin","bmse000274",4,145.552,3.59
"Thiamin","bmse000274",5,138.7379,4.97
"Thiamin","bmse000274",6,107.1899,6.29
"Thiamin","bmse000274",7,63.1255,12.5
"Thiamin","bmse000274",8,53.7574,10.69
"Thiamin","bmse000274",9,31.9248,12.41
"Thiamin","bmse000274",10,26.7632,11.25
"Thiamin","bmse000274",11,13.8517,12.02
"D_Fructose_2_6_bisphosphate","bmse000275",1,106.8714,4.79
"D_Fructose_2_6_bisphosphate","bmse000275",2,106.8017,4.74
"D_Fructose_2_6_bisphosphate","bmse000275",3,82.9825,6.41
"D_Fructose_2_6_bisphosphate","bmse000275",4,82.912,6.28
"D_Fructose_2_6_bisphosphate","bmse000275",5,80.0513,6.58
"D_Fructose_2_6_bisphosphate","bmse000275",6,80.0052,6.39
"D_Fructose_2_6_bisphosphate","bmse000275",7,78.0543,12.5
"D_Fructose_2_6_bisphosphate","bmse000275",8,68.3553,5.53
"D_Fructose_2_6_bisphosphate","bmse000275",9,68.3079,5.71
"D_Fructose_2_6_bisphosphate","bmse000275",10,65.2002,7.1
"D_Fructose_2_6_bisphosphate","bmse000275",11,60.1397,1.11
"D_Fructose_2_6_bisphosphate","bmse000275",12,19.51,1.19
"Ethanolamine","bmse000276",1,60.3171,12.5
"Ethanolamine","bmse000276",2,43.9507,8.05
"CTP","bmse000277",1,168.8983,5.15
"CTP","bmse000277",2,160.5208,4.42
"CTP","bmse000277",3,144.2311,8.6
"CTP","bmse000277",4,99.3524,9.52
"CTP","bmse000277",5,91.8085,11.04
"CTP","bmse000277",6,85.501,5.68
"CTP","bmse000277",7,85.4107,5.57
"CTP","bmse000277",8,77.0203,1.35
"CTP","bmse000277",9,76.8989,12.5
"CTP","bmse000277",10,71.7933,11.89
"CTP","bmse000277",11,71.4631,1.06
"CTP","bmse000277",12,67.272,4.2
"CTP","bmse000277",13,67.2177,4.39
"D_Ribulose_5_phosphate","bmse000278",1,103.8241,7.82
"D_Ribulose_5_phosphate","bmse000278",2,98.9771,2.24
"D_Ribulose_5_phosphate","bmse000278",3,85.3023,1.6
"D_Ribulose_5_phosphate","bmse000278",4,84.6704,3.81
"D_Ribulose_5_phosphate","bmse000278",5,84.5875,4.13
"D_Ribulose_5_phosphate","bmse000278",6,78.03,9.99
"D_Ribulose_5_phosphate","bmse000278",7,73.4112,12.5
"D_Ribulose_5_phosphate","bmse000278",8,72.931,3.83
"D_Ribulose_5_phosphate","bmse000278",9,67.3547,5.39
"D_Ribulose_5_phosphate","bmse000278",10,67.3093,5.5
"D_Ribulose_5_phosphate","bmse000278",11,66.4813,2.3
"Urocanate","bmse000279",1,178.6198,2.5
"Urocanate","bmse000279",2,140.3626,11.29
"Urocanate","bmse000279",3,137.0776,2.14
"Urocanate","bmse000279",4,133.668,10.36
"Urocanate","bmse000279",5,124.4849,12.5
"Urocanate","bmse000279",6,123.9802,8.38
"UMP","bmse000280",1,169.0839,4.57
"UMP","bmse000280",2,154.6578,3.41
"UMP","bmse000280",3,144.8275,8.54
"UMP","bmse000280",4,105.3924,10.43
"UMP","bmse000280",5,91.006,11.31
"UMP","bmse000280",6,86.9204,5.97
"UMP","bmse000280",7,86.8326,6.05
"UMP","bmse000280",8,76.6643,12.5
"UMP","bmse000280",9,72.7729,12.16
"UMP","bmse000280",10,65.9126,4.79
"UMP","bmse000280",11,65.8681,4.9
"Nicotinamide","bmse000281",1,154.5266,12.5
"Nicotinamide","bmse000281",2,150.344,11.49
"Nicotinamide","bmse000281",3,139.1539,11.48
"Nicotinamide","bmse000281",4,131.9398,1.76
"Nicotinamide","bmse000281",5,126.9235,10.76
"DL_Alanine","bmse000282",1,178.5738,1.77
"DL_Alanine","bmse000282",2,53.2017,9.6
"DL_Alanine","bmse000282",3,18.85,12.5
"Orotate","bmse000283",1,104.064,12.5
"Benzonitrile","bmse000284",1,136.2019,8.6
"Benzonitrile","bmse000284",2,135.1116,12.5
"Benzonitrile","bmse000284",3,131.8912,12.48
"Choline","bmse000285",1,70.1479,3.39
"Choline","bmse000285",2,70.1177,3.59
"Choline","bmse000285",3,70.0875,3.34
"Choline","bmse000285",4,58.3089,8.06
"Choline","bmse000285",5,56.621,11.8
"Choline","bmse000285",6,56.5813,12.5
"Choline","bmse000285",7,56.542,12.01
"Acetophenone","bmse000286",1,136.8469,7.17
"Acetophenone","bmse000286",2,131.5104,12.5
"Acetophenone","bmse000286",3,131.2516,11.84
"Acetophenone","bmse000286",4,28.9711,3.47
"Pantothenate","bmse000287",1,183.0208,3.24
"Pantothenate","bmse000287",2,177.6531,4.02
"Pantothenate","bmse000287",3,78.4586,12.5
"Pantothenate","bmse000287",4,71.0985,10.81
"Pantothenate","bmse000287",5,41.2778,8.26
"Pantothenate","bmse000287",6,39.3779,10.45
"Pantothenate","bmse000287",7,38.8533,9.94
"Pantothenate","bmse000287",8,23.2349,9.96
"Pantothenate","bmse000287",9,21.8424,10.1
"Pyridoxine","bmse000288",1,163.4259,2.28
"Pyridoxine","bmse000288",2,146.9983,3.52
"Pyridoxine","bmse000288",3,141.4468,3.78
"Pyridoxine","bmse000288",4,138.1842,4.52
"Pyridoxine","bmse000288",5,127.4073,3.84
"Pyridoxine","bmse000288",6,61.4656,12.5
"Pyridoxine","bmse000288",7,58.6687,10.33
"Pyridoxine","bmse000288",8,18.2013,8.23
"S_Adenosyl_L_homocysteine","bmse000289",1,176.8876,4.61
"S_Adenosyl_L_homocysteine","bmse000289",2,158.3878,3.44
"S_Adenosyl_L_homocysteine","bmse000289",3,155.6615,9.39
"S_Adenosyl_L_homocysteine","bmse000289",4,151.6956,3.2
"S_Adenosyl_L_homocysteine","bmse000289",5,142.814,7.91
"S_Adenosyl_L_homocysteine","bmse000289",6,121.5644,2.04
"S_Adenosyl_L_homocysteine","bmse000289",7,90.125,10.63
"S_Adenosyl_L_homocysteine","bmse000289",8,90.0104,2.04
"S_Adenosyl_L_homocysteine","bmse000289",9,86.1029,11.9
"S_Adenosyl_L_homocysteine","bmse000289",10,75.9715,11.38
"S_Adenosyl_L_homocysteine","bmse000289",11,75.0004,12.5
"S_Adenosyl_L_homocysteine","bmse000289",12,56.4364,10.43
"S_Adenosyl_L_homocysteine","bmse000289",13,36.2065,8.4
"S_Adenosyl_L_homocysteine","bmse000289",14,33.1203,8.91
"S_Adenosyl_L_homocysteine","bmse000289",15,30.4627,9.14
"Phenol","bmse000290",1,132.703,11.87
"Phenol","bmse000290",2,123.3534,6.56
"Phenol","bmse000290",3,118.0886,12.5
"Selenomethionine","bmse000291",1,176.8764,2.7
"Selenomethionine","bmse000291",2,57.3265,11.71
"Selenomethionine","bmse000291",3,33.5106,11.73
"Selenomethionine","bmse000291",4,21.8408,12.5
"Selenomethionine","bmse000291",5,5.875,6.96
"UDPglucuronate","bmse000292",1,179.1513,4.63
"UDPglucuronate","bmse000292",2,169.0242,5.14
"UDPglucuronate","bmse000292",3,154.6097,3.93
"UDPglucuronate","bmse000292",4,144.2873,8.42
"UDPglucuronate","bmse000292",5,105.4108,10.1
"UDPglucuronate","bmse000292",6,98.1166,5.83
"UDPglucuronate","bmse000292",7,98.0506,5.78
"UDPglucuronate","bmse000292",8,91.0126,10.69
"UDPglucuronate","bmse000292",9,86.0368,5.52
"UDPglucuronate","bmse000292",10,85.9455,5.68
"UDPglucuronate","bmse000292",11,76.498,12.5
"UDPglucuronate","bmse000292",12,75.7603,10.99
"UDPglucuronate","bmse000292",13,75.2986,10.18
"UDPglucuronate","bmse000292",14,74.5675,11.19
"UDPglucuronate","bmse000292",15,74.1227,5.66
"UDPglucuronate","bmse000292",16,74.0395,5.54
"UDPglucuronate","bmse000292",17,72.367,11.96
"UDPglucuronate","bmse000292",18,67.7081,4.35
"UDPglucuronate","bmse000292",19,67.6532,4.54
"UDPglucuronate","bmse000292",20,60.142,1.01
"UDPglucuronate","bmse000292",21,19.5053,1.3
"Hydroquinone","bmse000293",1,151.6552,1.09
"Hydroquinone","bmse000293",2,119.0705,12.5
"Methanol","bmse000294",1,51.571,12.5
"Methanol","bmse000294",2,8.3835,1.29
"UTP","bmse000295",1,169.0527,4.84
"UTP","bmse000295",2,154.6305,3.56
"UTP","bmse000295",3,144.4685,8.62
"UTP","bmse000295",4,105.3558,9.9
"UTP","bmse000295",5,90.9803,10.91
"UTP","bmse000295",6,86.0794,5.45
"UTP","bmse000295",7,85.9897,5.66
"UTP","bmse000295",8,76.4645,12.5
"UTP","bmse000295",9,72.1667,11.59
"UTP","bmse000295",10,67.5196,4.26
"UTP","bmse000295",11,67.4644,4.32
"UTP","bmse000295",12,60.1427,1.1
"dTMP","bmse000296",1,169.2356,1.23
"dTMP","bmse000296",2,160.5265,1.29
"dTMP","bmse000296",3,154.4333,1.31
"dTMP","bmse000296",4,140.1216,3.35
"dTMP","bmse000296",5,114.2982,2.37
"dTMP","bmse000296",6,88.3382,2.04
"dTMP","bmse000296",7,88.2519,1.87
"dTMP","bmse000296",8,87.8416,3.66
"dTMP","bmse000296",9,73.7576,4.03
"dTMP","bmse000296",10,69.7071,3.43
"dTMP","bmse000296",11,69.6331,3.39
"dTMP","bmse000296",12,68.674,6.88
"dTMP","bmse000296",13,67.0077,1.54
"dTMP","bmse000296",14,66.9519,1.6
"dTMP","bmse000296",15,57.1741,5.62
"dTMP","bmse000296",16,50.7174,6.42
"dTMP","bmse000296",17,47.4494,6.5
"dTMP","bmse000296",18,41.3959,3.4
"dTMP","bmse000296",19,35.6124,12.5
"dTMP","bmse000296",20,27.378,11.97
"dTMP","bmse000296",21,27.3297,7.39
"dTMP","bmse000296",22,14.3887,4.03
"Ethanol","bmse000297",1,60.1347,10.57
"Ethanol","bmse000297",2,19.4922,12.5
"D_Glyceraldehyde","bmse000298",1,92.4619,11.47
"D_Glyceraldehyde","bmse000298",2,76.7643,11.97
"D_Glyceraldehyde","bmse000298",3,67.5383,2.02
"D_Glyceraldehyde","bmse000298",4,64.6757,12.5
"Folate","bmse000299",1,185.1947,10.02
"Folate","bmse000299",2,182.1813,8.33
"Folate","bmse000299",3,171.6618,6.23
"Folate","bmse000299",4,167.4706,1.1
"Folate","bmse000299",5,156.8561,3.58
"Folate","bmse000299",6,154.9662,1.2
"Folate","bmse000299",7,152.4534,5.63
"Folate","bmse000299",8,150.9644,2.57
"Folate","bmse000299",9,150.4027,4.37
"Folate","bmse000299",10,131.6987,1.03
"Folate","bmse000299",11,131.3015,7.38
"Folate","bmse000299",12,129.0129,4.84
"Folate","bmse000299",13,123.0856,5.17
"Folate","bmse000299",14,113.9108,6.41
"Folate","bmse000299",15,58.6333,8.76
"Folate","bmse000299",16,47.4239,2.98
"Folate","bmse000299",17,37.0651,12.5
"Folate","bmse000299",18,31.1742,7.87
"Benzoate","bmse000300",1,138.9121,1.04
"Benzoate","bmse000300",2,133.9731,7.03
"Benzoate","bmse000300",3,131.4957,12.46
"Benzoate","bmse000300",4,131.0181,12.5