ID,Assembly_atom_ID,Entity_assembly_ID,Entity_ID,Comp_index_ID,Seq_ID,Comp_ID,Atom_ID,Atom_type,Atom_isotope_number,Fermi_contact_spin_density,Val,Val_err,Auth_entity_assembly_ID,Auth_asym_ID,Auth_seq_ID,Auth_comp_ID,Auth_atom_ID,Sf_ID,Entry_ID,Theoretical_chem_shift_list_ID
1,,1,1,1,,1,C1,C,,,44.226,,,,1_3_diaminopropane,,,34680,bmst000001,1
2,,1,1,1,,1,C2,C,,,36.162,,,,1_3_diaminopropane,,,34680,bmst000001,1
3,,1,1,1,,1,C3,C,,,44.226,,,,1_3_diaminopropane,,,34680,bmst000001,1
4,,1,1,1,,1,N4,N,,,36.898,,,,1_3_diaminopropane,,,34680,bmst000001,1
5,,1,1,1,,1,H5,H,,,0.798,,,,1_3_diaminopropane,,,34680,bmst000001,1
6,,1,1,1,,1,N6,N,,,36.898,,,,1_3_diaminopropane,,,34680,bmst000001,1
7,,1,1,1,,1,H7,H,,,0.798,,,,1_3_diaminopropane,,,34680,bmst000001,1
8,,1,1,1,,1,H8,H,,,0.226,,,,1_3_diaminopropane,,,34680,bmst000001,1
9,,1,1,1,,1,H9,H,,,0.226,,,,1_3_diaminopropane,,,34680,bmst000001,1
10,,1,1,1,,1,H10,H,,,3.556,,,,1_3_diaminopropane,,,34680,bmst000001,1
11,,1,1,1,,1,H11,H,,,3.575,,,,1_3_diaminopropane,,,34680,bmst000001,1
12,,1,1,1,,1,H12,H,,,3.241,,,,1_3_diaminopropane,,,34680,bmst000001,1
13,,1,1,1,,1,H13,H,,,2.046,,,,1_3_diaminopropane,,,34680,bmst000001,1
14,,1,1,1,,1,H14,H,,,3.556,,,,1_3_diaminopropane,,,34680,bmst000001,1
15,,1,1,1,,1,H15,H,,,3.575,,,,1_3_diaminopropane,,,34680,bmst000001,1
1,,1,1,1,,1,N5,N,,,76.129,,,,2_deoxyguanosine,,,34690,bmst000002,1
2,,1,1,1,,1,N6,N,,,163.488,,,,2_deoxyguanosine,,,34690,bmst000002,1
3,,1,1,1,,1,N7,N,,,107.722,,,,2_deoxyguanosine,,,34690,bmst000002,1
4,,1,1,1,,1,N8,N,,,246.294,,,,2_deoxyguanosine,,,34690,bmst000002,1
5,,1,1,1,,1,N9,N,,,292.531,,,,2_deoxyguanosine,,,34690,bmst000002,1
6,,1,1,1,,1,C10,C,,,63.794,,,,2_deoxyguanosine,,,34690,bmst000002,1
7,,1,1,1,,1,C11,C,,,91.787,,,,2_deoxyguanosine,,,34690,bmst000002,1
8,,1,1,1,,1,C12,C,,,87.844,,,,2_deoxyguanosine,,,34690,bmst000002,1
9,,1,1,1,,1,C13,C,,,74.836,,,,2_deoxyguanosine,,,34690,bmst000002,1
10,,1,1,1,,1,C14,C,,,40.717,,,,2_deoxyguanosine,,,34690,bmst000002,1
11,,1,1,1,,1,C15,C,,,145.585,,,,2_deoxyguanosine,,,34690,bmst000002,1
12,,1,1,1,,1,C16,C,,,135.173,,,,2_deoxyguanosine,,,34690,bmst000002,1
13,,1,1,1,,1,C17,C,,,161.870,,,,2_deoxyguanosine,,,34690,bmst000002,1
14,,1,1,1,,1,C18,C,,,124.911,,,,2_deoxyguanosine,,,34690,bmst000002,1
15,,1,1,1,,1,C19,C,,,128.031,,,,2_deoxyguanosine,,,34690,bmst000002,1
16,,1,1,1,,1,H20,H,,,1.004,,,,2_deoxyguanosine,,,34690,bmst000002,1
17,,1,1,1,,1,H21,H,,,0.483,,,,2_deoxyguanosine,,,34690,bmst000002,1
18,,1,1,1,,1,H22,H,,,3.474,,,,2_deoxyguanosine,,,34690,bmst000002,1
19,,1,1,1,,1,H23,H,,,4.249,,,,2_deoxyguanosine,,,34690,bmst000002,1
20,,1,1,1,,1,H24,H,,,9.526,,,,2_deoxyguanosine,,,34690,bmst000002,1
21,,1,1,1,,1,H25,H,,,4.754,,,,2_deoxyguanosine,,,34690,bmst000002,1
22,,1,1,1,,1,H26,H,,,4.756,,,,2_deoxyguanosine,,,34690,bmst000002,1
23,,1,1,1,,1,H27,H,,,7.575,,,,2_deoxyguanosine,,,34690,bmst000002,1
24,,1,1,1,,1,H28,H,,,5.247,,,,2_deoxyguanosine,,,34690,bmst000002,1
25,,1,1,1,,1,H29,H,,,4.890,,,,2_deoxyguanosine,,,34690,bmst000002,1
26,,1,1,1,,1,H30,H,,,3.618,,,,2_deoxyguanosine,,,34690,bmst000002,1
27,,1,1,1,,1,H31,H,,,2.815,,,,2_deoxyguanosine,,,34690,bmst000002,1
28,,1,1,1,,1,H32,H,,,8.085,,,,2_deoxyguanosine,,,34690,bmst000002,1
1,,1,1,1,,1,C1,C,,,139.862,,,,adenine,,,34700,bmst000007,1
2,,1,1,1,,1,C2,C,,,154.725,,,,adenine,,,34700,bmst000007,1
3,,1,1,1,,1,C3,C,,,110.540,,,,adenine,,,34700,bmst000007,1
4,,1,1,1,,1,C4,C,,,147.617,,,,adenine,,,34700,bmst000007,1
5,,1,1,1,,1,C5,C,,,159.418,,,,adenine,,,34700,bmst000007,1
6,,1,1,1,,1,N6,N,,,78.493,,,,adenine,,,34700,bmst000007,1
7,,1,1,1,,1,N7,N,,,140.074,,,,adenine,,,34700,bmst000007,1
8,,1,1,1,,1,N8,N,,,280.888,,,,adenine,,,34700,bmst000007,1
9,,1,1,1,,1,N9,N,,,267.948,,,,adenine,,,34700,bmst000007,1
10,,1,1,1,,1,N10,N,,,289.137,,,,adenine,,,34700,bmst000007,1
11,,1,1,1,,1,H11,H,,,8.943,,,,adenine,,,34700,bmst000007,1
12,,1,1,1,,1,H12,H,,,10.575,,,,adenine,,,34700,bmst000007,1
13,,1,1,1,,1,H13,H,,,4.907,,,,adenine,,,34700,bmst000007,1
14,,1,1,1,,1,H14,H,,,4.214,,,,adenine,,,34700,bmst000007,1
15,,1,1,1,,1,H15,H,,,8.908,,,,adenine,,,34700,bmst000007,1
1,,1,1,1,,1,C1,C,,,152.078,,,,adenosine,,,34710,bmst000008,1
2,,1,1,1,,1,C2,C,,,138.979,,,,adenosine,,,34710,bmst000008,1
3,,1,1,1,,1,C3,C,,,65.768,,,,adenosine,,,34710,bmst000008,1
4,,1,1,1,,1,C4,C,,,120.545,,,,adenosine,,,34710,bmst000008,1
5,,1,1,1,,1,C5,C,,,153.508,,,,adenosine,,,34710,bmst000008,1
6,,1,1,1,,1,C6,C,,,148.173,,,,adenosine,,,34710,bmst000008,1
7,,1,1,1,,1,C7,C,,,92.396,,,,adenosine,,,34710,bmst000008,1
8,,1,1,1,,1,C8,C,,,77.364,,,,adenosine,,,34710,bmst000008,1
9,,1,1,1,,1,C9,C,,,82.178,,,,adenosine,,,34710,bmst000008,1
10,,1,1,1,,1,C10,C,,,96.295,,,,adenosine,,,34710,bmst000008,1
11,,1,1,1,,1,N11,N,,,85.948,,,,adenosine,,,34710,bmst000008,1
12,,1,1,1,,1,N12,N,,,256.787,,,,adenosine,,,34710,bmst000008,1
13,,1,1,1,,1,N13,N,,,234.455,,,,adenosine,,,34710,bmst000008,1
14,,1,1,1,,1,N14,N,,,262.222,,,,adenosine,,,34710,bmst000008,1
15,,1,1,1,,1,N15,N,,,182.424,,,,adenosine,,,34710,bmst000008,1
16,,1,1,1,,1,H20,H,,,9.899,,,,adenosine,,,34710,bmst000008,1
17,,1,1,1,,1,H21,H,,,9.328,,,,adenosine,,,34710,bmst000008,1
18,,1,1,1,,1,H22,H,,,4.587,,,,adenosine,,,34710,bmst000008,1
19,,1,1,1,,1,H23,H,,,4.399,,,,adenosine,,,34710,bmst000008,1
20,,1,1,1,,1,H24,H,,,5.332,,,,adenosine,,,34710,bmst000008,1
21,,1,1,1,,1,H25,H,,,4.995,,,,adenosine,,,34710,bmst000008,1
22,,1,1,1,,1,H26,H,,,5.107,,,,adenosine,,,34710,bmst000008,1
23,,1,1,1,,1,H27,H,,,7.252,,,,adenosine,,,34710,bmst000008,1
24,,1,1,1,,1,H28,H,,,5.471,,,,adenosine,,,34710,bmst000008,1
25,,1,1,1,,1,H29,H,,,6.263,,,,adenosine,,,34710,bmst000008,1
26,,1,1,1,,1,H30,H,,,0.165,,,,adenosine,,,34710,bmst000008,1
27,,1,1,1,,1,H31,H,,,0.386,,,,adenosine,,,34710,bmst000008,1
28,,1,1,1,,1,H32,H,,,6.588,,,,adenosine,,,34710,bmst000008,1
1,,1,1,1,,1,C6,C,,,70.283,,,,adonitol,,,34720,bmst000009,1
2,,1,1,1,,1,C7,C,,,71.689,,,,adonitol,,,34720,bmst000009,1
3,,1,1,1,,1,C8,C,,,73.639,,,,adonitol,,,34720,bmst000009,1
4,,1,1,1,,1,C9,C,,,68.935,,,,adonitol,,,34720,bmst000009,1
5,,1,1,1,,1,C10,C,,,63.705,,,,adonitol,,,34720,bmst000009,1
6,,1,1,1,,1,H11,H,,,3.186,,,,adonitol,,,34720,bmst000009,1
7,,1,1,1,,1,H12,H,,,3.280,,,,adonitol,,,34720,bmst000009,1
8,,1,1,1,,1,H13,H,,,3.219,,,,adonitol,,,34720,bmst000009,1
9,,1,1,1,,1,H14,H,,,0.497,,,,adonitol,,,34720,bmst000009,1
10,,1,1,1,,1,H15,H,,,0.013,,,,adonitol,,,34720,bmst000009,1
11,,1,1,1,,1,H16,H,,,3.844,,,,adonitol,,,34720,bmst000009,1
12,,1,1,1,,1,H17,H,,,4.695,,,,adonitol,,,34720,bmst000009,1
13,,1,1,1,,1,H18,H,,,4.614,,,,adonitol,,,34720,bmst000009,1
14,,1,1,1,,1,H19,H,,,4.275,,,,adonitol,,,34720,bmst000009,1
15,,1,1,1,,1,H20,H,,,4.866,,,,adonitol,,,34720,bmst000009,1
16,,1,1,1,,1,H21,H,,,4.652,,,,adonitol,,,34720,bmst000009,1
17,,1,1,1,,1,H22,H,,,4.134,,,,adonitol,,,34720,bmst000009,1
1,,1,1,1,,1,C1,C,,,158.594,,,,ADP,,,34730,bmst000010,1
2,,1,1,1,,1,C2,C,,,147.225,,,,ADP,,,34730,bmst000010,1
3,,1,1,1,,1,C3,C,,,73.106,,,,ADP,,,34730,bmst000010,1
4,,1,1,1,,1,C4,C,,,125.814,,,,ADP,,,34730,bmst000010,1
5,,1,1,1,,1,C5,C,,,160.491,,,,ADP,,,34730,bmst000010,1
6,,1,1,1,,1,C6,C,,,154.770,,,,ADP,,,34730,bmst000010,1
7,,1,1,1,,1,C7,C,,,92.990,,,,ADP,,,34730,bmst000010,1
8,,1,1,1,,1,C8,C,,,79.999,,,,ADP,,,34730,bmst000010,1
9,,1,1,1,,1,C9,C,,,84.207,,,,ADP,,,34730,bmst000010,1
10,,1,1,1,,1,C10,C,,,99.978,,,,ADP,,,34730,bmst000010,1
11,,1,1,1,,1,N11,N,,,86.334,,,,ADP,,,34730,bmst000010,1
12,,1,1,1,,1,N12,N,,,256.781,,,,ADP,,,34730,bmst000010,1
13,,1,1,1,,1,N13,N,,,231.260,,,,ADP,,,34730,bmst000010,1
14,,1,1,1,,1,N14,N,,,263.434,,,,ADP,,,34730,bmst000010,1
15,,1,1,1,,1,N15,N,,,175.908,,,,ADP,,,34730,bmst000010,1
16,,1,1,1,,1,P26,P,,,0.980,,,,ADP,,,34730,bmst000010,1
17,,1,1,1,,1,P27,P,,,10.798,,,,ADP,,,34730,bmst000010,1
18,,1,1,1,,1,H28,H,,,9.849,,,,ADP,,,34730,bmst000010,1
19,,1,1,1,,1,H29,H,,,9.333,,,,ADP,,,34730,bmst000010,1
20,,1,1,1,,1,H30,H,,,5.223,,,,ADP,,,34730,bmst000010,1
21,,1,1,1,,1,H31,H,,,5.192,,,,ADP,,,34730,bmst000010,1
22,,1,1,1,,1,H32,H,,,5.330,,,,ADP,,,34730,bmst000010,1
23,,1,1,1,,1,H33,H,,,4.954,,,,ADP,,,34730,bmst000010,1
24,,1,1,1,,1,H34,H,,,5.220,,,,ADP,,,34730,bmst000010,1
25,,1,1,1,,1,H35,H,,,7.146,,,,ADP,,,34730,bmst000010,1
26,,1,1,1,,1,H36,H,,,5.492,,,,ADP,,,34730,bmst000010,1
27,,1,1,1,,1,H37,H,,,6.332,,,,ADP,,,34730,bmst000010,1
28,,1,1,1,,1,H38,H,,,0.560,,,,ADP,,,34730,bmst000010,1
29,,1,1,1,,1,H39,H,,,7.523,,,,ADP,,,34730,bmst000010,1
30,,1,1,1,,1,H40,H,,,4.563,,,,ADP,,,34730,bmst000010,1
31,,1,1,1,,1,H41,H,,,7.249,,,,ADP,,,34730,bmst000010,1
32,,1,1,1,,1,H42,H,,,7.915,,,,ADP,,,34730,bmst000010,1
1,,1,1,1,,1,C1,C,,,109.679,,,,alpha_lactose,,,34740,bmst000019,1
2,,1,1,1,,1,C2,C,,,70.915,,,,alpha_lactose,,,34740,bmst000019,1
3,,1,1,1,,1,C3,C,,,75.006,,,,alpha_lactose,,,34740,bmst000019,1
4,,1,1,1,,1,C4,C,,,66.000,,,,alpha_lactose,,,34740,bmst000019,1
5,,1,1,1,,1,C5,C,,,75.072,,,,alpha_lactose,,,34740,bmst000019,1
6,,1,1,1,,1,C6,C,,,61.968,,,,alpha_lactose,,,34740,bmst000019,1
7,,1,1,1,,1,C13,C,,,95.004,,,,alpha_lactose,,,34740,bmst000019,1
8,,1,1,1,,1,C14,C,,,76.217,,,,alpha_lactose,,,34740,bmst000019,1
9,,1,1,1,,1,C15,C,,,70.566,,,,alpha_lactose,,,34740,bmst000019,1
10,,1,1,1,,1,C16,C,,,80.355,,,,alpha_lactose,,,34740,bmst000019,1
11,,1,1,1,,1,C17,C,,,71.829,,,,alpha_lactose,,,34740,bmst000019,1
12,,1,1,1,,1,C18,C,,,63.298,,,,alpha_lactose,,,34740,bmst000019,1
13,,1,1,1,,1,H24,H,,,4.438,,,,alpha_lactose,,,34740,bmst000019,1
14,,1,1,1,,1,H25,H,,,4.855,,,,alpha_lactose,,,34740,bmst000019,1
15,,1,1,1,,1,H26,H,,,4.218,,,,alpha_lactose,,,34740,bmst000019,1
16,,1,1,1,,1,H27,H,,,4.417,,,,alpha_lactose,,,34740,bmst000019,1
17,,1,1,1,,1,H28,H,,,4.060,,,,alpha_lactose,,,34740,bmst000019,1
18,,1,1,1,,1,H29,H,,,4.985,,,,alpha_lactose,,,34740,bmst000019,1
19,,1,1,1,,1,H30,H,,,5.586,,,,alpha_lactose,,,34740,bmst000019,1
20,,1,1,1,,1,H31,H,,,1.515,,,,alpha_lactose,,,34740,bmst000019,1
21,,1,1,1,,1,H32,H,,,0.629,,,,alpha_lactose,,,34740,bmst000019,1
22,,1,1,1,,1,H33,H,,,2.823,,,,alpha_lactose,,,34740,bmst000019,1
23,,1,1,1,,1,H34,H,,,0.096,,,,alpha_lactose,,,34740,bmst000019,1
24,,1,1,1,,1,H35,H,,,5.911,,,,alpha_lactose,,,34740,bmst000019,1
25,,1,1,1,,1,H36,H,,,4.054,,,,alpha_lactose,,,34740,bmst000019,1
26,,1,1,1,,1,H37,H,,,5.440,,,,alpha_lactose,,,34740,bmst000019,1
27,,1,1,1,,1,H38,H,,,3.942,,,,alpha_lactose,,,34740,bmst000019,1
28,,1,1,1,,1,H39,H,,,5.176,,,,alpha_lactose,,,34740,bmst000019,1
29,,1,1,1,,1,H40,H,,,4.707,,,,alpha_lactose,,,34740,bmst000019,1
30,,1,1,1,,1,H41,H,,,5.083,,,,alpha_lactose,,,34740,bmst000019,1
31,,1,1,1,,1,H42,H,,,1.323,,,,alpha_lactose,,,34740,bmst000019,1
32,,1,1,1,,1,H43,H,,,0.621,,,,alpha_lactose,,,34740,bmst000019,1
33,,1,1,1,,1,H44,H,,,2.095,,,,alpha_lactose,,,34740,bmst000019,1
34,,1,1,1,,1,H45,H,,,-0.167,,,,alpha_lactose,,,34740,bmst000019,1
1,,1,1,1,,1,C1,C,,,159.171,,,,AMP,,,34750,bmst000022,1
2,,1,1,1,,1,C2,C,,,145.545,,,,AMP,,,34750,bmst000022,1
3,,1,1,1,,1,C3,C,,,70.309,,,,AMP,,,34750,bmst000022,1
4,,1,1,1,,1,C4,C,,,126.005,,,,AMP,,,34750,bmst000022,1
5,,1,1,1,,1,C5,C,,,160.490,,,,AMP,,,34750,bmst000022,1
6,,1,1,1,,1,C6,C,,,154.967,,,,AMP,,,34750,bmst000022,1
7,,1,1,1,,1,C7,C,,,95.605,,,,AMP,,,34750,bmst000022,1
8,,1,1,1,,1,C8,C,,,81.224,,,,AMP,,,34750,bmst000022,1
9,,1,1,1,,1,C9,C,,,85.451,,,,AMP,,,34750,bmst000022,1
10,,1,1,1,,1,C10,C,,,101.038,,,,AMP,,,34750,bmst000022,1
11,,1,1,1,,1,N11,N,,,86.381,,,,AMP,,,34750,bmst000022,1
12,,1,1,1,,1,N12,N,,,257.030,,,,AMP,,,34750,bmst000022,1
13,,1,1,1,,1,N13,N,,,232.874,,,,AMP,,,34750,bmst000022,1
14,,1,1,1,,1,N14,N,,,263.218,,,,AMP,,,34750,bmst000022,1
15,,1,1,1,,1,N15,N,,,179.929,,,,AMP,,,34750,bmst000022,1
16,,1,1,1,,1,P23,P,,,0.985,,,,AMP,,,34750,bmst000022,1
17,,1,1,1,,1,H24,H,,,9.910,,,,AMP,,,34750,bmst000022,1
18,,1,1,1,,1,H25,H,,,9.155,,,,AMP,,,34750,bmst000022,1
19,,1,1,1,,1,H26,H,,,4.978,,,,AMP,,,34750,bmst000022,1
20,,1,1,1,,1,H27,H,,,4.730,,,,AMP,,,34750,bmst000022,1
21,,1,1,1,,1,H28,H,,,5.339,,,,AMP,,,34750,bmst000022,1
22,,1,1,1,,1,H29,H,,,5.047,,,,AMP,,,34750,bmst000022,1
23,,1,1,1,,1,H30,H,,,5.176,,,,AMP,,,34750,bmst000022,1
24,,1,1,1,,1,H31,H,,,7.215,,,,AMP,,,34750,bmst000022,1
25,,1,1,1,,1,H32,H,,,5.553,,,,AMP,,,34750,bmst000022,1
26,,1,1,1,,1,H33,H,,,6.331,,,,AMP,,,34750,bmst000022,1
27,,1,1,1,,1,H34,H,,,0.600,,,,AMP,,,34750,bmst000022,1
28,,1,1,1,,1,H35,H,,,7.031,,,,AMP,,,34750,bmst000022,1
29,,1,1,1,,1,H36,H,,,4.089,,,,AMP,,,34750,bmst000022,1
30,,1,1,1,,1,H37,H,,,3.660,,,,AMP,,,34750,bmst000022,1
1,,1,1,1,,1,C1,C,,,114.662,,,,anthranilic_acid,,,34760,bmst000023,1
2,,1,1,1,,1,C2,C,,,135.287,,,,anthranilic_acid,,,34760,bmst000023,1
3,,1,1,1,,1,C3,C,,,133.691,,,,anthranilic_acid,,,34760,bmst000023,1
4,,1,1,1,,1,C4,C,,,114.222,,,,anthranilic_acid,,,34760,bmst000023,1
5,,1,1,1,,1,C5,C,,,108.475,,,,anthranilic_acid,,,34760,bmst000023,1
6,,1,1,1,,1,C6,C,,,150.552,,,,anthranilic_acid,,,34760,bmst000023,1
7,,1,1,1,,1,C7,C,,,174.183,,,,anthranilic_acid,,,34760,bmst000023,1
8,,1,1,1,,1,N8,N,,,82.784,,,,anthranilic_acid,,,34760,bmst000023,1
9,,1,1,1,,1,H11,H,,,7.734,,,,anthranilic_acid,,,34760,bmst000023,1
10,,1,1,1,,1,H12,H,,,8.324,,,,anthranilic_acid,,,34760,bmst000023,1
11,,1,1,1,,1,H13,H,,,9.285,,,,anthranilic_acid,,,34760,bmst000023,1
12,,1,1,1,,1,H14,H,,,7.489,,,,anthranilic_acid,,,34760,bmst000023,1
13,,1,1,1,,1,H15,H,,,4.443,,,,anthranilic_acid,,,34760,bmst000023,1
14,,1,1,1,,1,H16,H,,,8.995,,,,anthranilic_acid,,,34760,bmst000023,1
15,,1,1,1,,1,H17,H,,,6.308,,,,anthranilic_acid,,,34760,bmst000023,1
1,,1,1,1,,1,C1,C,,,159.053,,,,ATP,,,34770,bmst000033,1
2,,1,1,1,,1,C2,C,,,145.589,,,,ATP,,,34770,bmst000033,1
3,,1,1,1,,1,C3,C,,,73.486,,,,ATP,,,34770,bmst000033,1
4,,1,1,1,,1,C4,C,,,126.028,,,,ATP,,,34770,bmst000033,1
5,,1,1,1,,1,C5,C,,,160.544,,,,ATP,,,34770,bmst000033,1
6,,1,1,1,,1,C6,C,,,154.886,,,,ATP,,,34770,bmst000033,1
7,,1,1,1,,1,C7,C,,,93.270,,,,ATP,,,34770,bmst000033,1
8,,1,1,1,,1,C8,C,,,80.283,,,,ATP,,,34770,bmst000033,1
9,,1,1,1,,1,C9,C,,,84.474,,,,ATP,,,34770,bmst000033,1
10,,1,1,1,,1,C10,C,,,100.254,,,,ATP,,,34770,bmst000033,1
11,,1,1,1,,1,N11,N,,,86.399,,,,ATP,,,34770,bmst000033,1
12,,1,1,1,,1,N12,N,,,256.886,,,,ATP,,,34770,bmst000033,1
13,,1,1,1,,1,N13,N,,,232.320,,,,ATP,,,34770,bmst000033,1
14,,1,1,1,,1,N14,N,,,263.251,,,,ATP,,,34770,bmst000033,1
15,,1,1,1,,1,N15,N,,,178.298,,,,ATP,,,34770,bmst000033,1
16,,1,1,1,,1,P29,P,,,0.726,,,,ATP,,,34770,bmst000033,1
17,,1,1,1,,1,P30,P,,,1.330,,,,ATP,,,34770,bmst000033,1
18,,1,1,1,,1,P31,P,,,-7.249,,,,ATP,,,34770,bmst000033,1
19,,1,1,1,,1,H32,H,,,9.883,,,,ATP,,,34770,bmst000033,1
20,,1,1,1,,1,H33,H,,,9.186,,,,ATP,,,34770,bmst000033,1
21,,1,1,1,,1,H34,H,,,5.262,,,,ATP,,,34770,bmst000033,1
22,,1,1,1,,1,H35,H,,,5.061,,,,ATP,,,34770,bmst000033,1
23,,1,1,1,,1,H36,H,,,5.346,,,,ATP,,,34770,bmst000033,1
24,,1,1,1,,1,H37,H,,,4.948,,,,ATP,,,34770,bmst000033,1
25,,1,1,1,,1,H38,H,,,5.191,,,,ATP,,,34770,bmst000033,1
26,,1,1,1,,1,H39,H,,,7.158,,,,ATP,,,34770,bmst000033,1
27,,1,1,1,,1,H40,H,,,5.516,,,,ATP,,,34770,bmst000033,1
28,,1,1,1,,1,H41,H,,,6.273,,,,ATP,,,34770,bmst000033,1
29,,1,1,1,,1,H42,H,,,0.559,,,,ATP,,,34770,bmst000033,1
30,,1,1,1,,1,H43,H,,,7.175,,,,ATP,,,34770,bmst000033,1
31,,1,1,1,,1,H44,H,,,4.668,,,,ATP,,,34770,bmst000033,1
32,,1,1,1,,1,H45,H,,,7.090,,,,ATP,,,34770,bmst000033,1
33,,1,1,1,,1,H46,H,,,4.637,,,,ATP,,,34770,bmst000033,1
34,,1,1,1,,1,H47,H,,,7.456,,,,ATP,,,34770,bmst000033,1
1,,1,1,1,,1,C1,C,,,53.320,,,,betaine,,,34780,bmst000039,1
2,,1,1,1,,1,N2,N,,,56.963,,,,betaine,,,34780,bmst000039,1
3,,1,1,1,,1,C3,C,,,62.658,,,,betaine,,,34780,bmst000039,1
4,,1,1,1,,1,C4,C,,,158.787,,,,betaine,,,34780,bmst000039,1
5,,1,1,1,,1,C7,C,,,48.067,,,,betaine,,,34780,bmst000039,1
6,,1,1,1,,1,C8,C,,,48.067,,,,betaine,,,34780,bmst000039,1
7,,1,1,1,,1,H9,H,,,3.729,,,,betaine,,,34780,bmst000039,1
8,,1,1,1,,1,H10,H,,,3.729,,,,betaine,,,34780,bmst000039,1
9,,1,1,1,,1,H11,H,,,3.798,,,,betaine,,,34780,bmst000039,1
10,,1,1,1,,1,H12,H,,,3.872,,,,betaine,,,34780,bmst000039,1
11,,1,1,1,,1,H13,H,,,3.872,,,,betaine,,,34780,bmst000039,1
12,,1,1,1,,1,H14,H,,,3.107,,,,betaine,,,34780,bmst000039,1
13,,1,1,1,,1,H15,H,,,3.006,,,,betaine,,,34780,bmst000039,1
14,,1,1,1,,1,H16,H,,,7.846,,,,betaine,,,34780,bmst000039,1
15,,1,1,1,,1,H17,H,,,3.006,,,,betaine,,,34780,bmst000039,1
16,,1,1,1,,1,H18,H,,,3.107,,,,betaine,,,34780,bmst000039,1
17,,1,1,1,,1,H19,H,,,7.846,,,,betaine,,,34780,bmst000039,1
1,,1,1,1,,1,N1,N,,,37.636,,,,cadaverine,,,34790,bmst000051,1
2,,1,1,1,,1,N2,N,,,37.636,,,,cadaverine,,,34790,bmst000051,1
3,,1,1,1,,1,C3,C,,,43.954,,,,cadaverine,,,34790,bmst000051,1
4,,1,1,1,,1,C4,C,,,43.954,,,,cadaverine,,,34790,bmst000051,1
5,,1,1,1,,1,C5,C,,,31.396,,,,cadaverine,,,34790,bmst000051,1
6,,1,1,1,,1,C6,C,,,31.396,,,,cadaverine,,,34790,bmst000051,1
7,,1,1,1,,1,C7,C,,,23.569,,,,cadaverine,,,34790,bmst000051,1
8,,1,1,1,,1,H8,H,,,0.827,,,,cadaverine,,,34790,bmst000051,1
9,,1,1,1,,1,H9,H,,,0.285,,,,cadaverine,,,34790,bmst000051,1
10,,1,1,1,,1,H10,H,,,0.827,,,,cadaverine,,,34790,bmst000051,1
11,,1,1,1,,1,H11,H,,,0.285,,,,cadaverine,,,34790,bmst000051,1
12,,1,1,1,,1,H12,H,,,3.580,,,,cadaverine,,,34790,bmst000051,1
13,,1,1,1,,1,H13,H,,,3.603,,,,cadaverine,,,34790,bmst000051,1
14,,1,1,1,,1,H14,H,,,3.580,,,,cadaverine,,,34790,bmst000051,1
15,,1,1,1,,1,H15,H,,,3.603,,,,cadaverine,,,34790,bmst000051,1
16,,1,1,1,,1,H16,H,,,2.788,,,,cadaverine,,,34790,bmst000051,1
17,,1,1,1,,1,H17,H,,,2.071,,,,cadaverine,,,34790,bmst000051,1
18,,1,1,1,,1,H18,H,,,2.788,,,,cadaverine,,,34790,bmst000051,1
19,,1,1,1,,1,H19,H,,,2.071,,,,cadaverine,,,34790,bmst000051,1
20,,1,1,1,,1,H20,H,,,2.021,,,,cadaverine,,,34790,bmst000051,1
21,,1,1,1,,1,H21,H,,,2.015,,,,cadaverine,,,34790,bmst000051,1
1,,1,1,1,,1,C1,C,,,160.819,,,,cAMP,,,34800,bmst000052,1
2,,1,1,1,,1,C2,C,,,141.182,,,,cAMP,,,34800,bmst000052,1
3,,1,1,1,,1,C3,C,,,70.965,,,,cAMP,,,34800,bmst000052,1
4,,1,1,1,,1,C4,C,,,125.340,,,,cAMP,,,34800,bmst000052,1
5,,1,1,1,,1,C5,C,,,159.709,,,,cAMP,,,34800,bmst000052,1
6,,1,1,1,,1,C6,C,,,155.514,,,,cAMP,,,34800,bmst000052,1
7,,1,1,1,,1,C7,C,,,76.936,,,,cAMP,,,34800,bmst000052,1
8,,1,1,1,,1,C8,C,,,82.431,,,,cAMP,,,34800,bmst000052,1
9,,1,1,1,,1,C9,C,,,80.669,,,,cAMP,,,34800,bmst000052,1
10,,1,1,1,,1,C10,C,,,106.778,,,,cAMP,,,34800,bmst000052,1
11,,1,1,1,,1,N11,N,,,86.631,,,,cAMP,,,34800,bmst000052,1
12,,1,1,1,,1,N12,N,,,257.306,,,,cAMP,,,34800,bmst000052,1
13,,1,1,1,,1,N13,N,,,236.550,,,,cAMP,,,34800,bmst000052,1
14,,1,1,1,,1,N14,N,,,263.790,,,,cAMP,,,34800,bmst000052,1
15,,1,1,1,,1,N15,N,,,172.086,,,,cAMP,,,34800,bmst000052,1
16,,1,1,1,,1,P22,P,,,10.127,,,,cAMP,,,34800,bmst000052,1
17,,1,1,1,,1,H23,H,,,9.958,,,,cAMP,,,34800,bmst000052,1
18,,1,1,1,,1,H24,H,,,8.794,,,,cAMP,,,34800,bmst000052,1
19,,1,1,1,,1,H25,H,,,5.934,,,,cAMP,,,34800,bmst000052,1
20,,1,1,1,,1,H26,H,,,5.509,,,,cAMP,,,34800,bmst000052,1
21,,1,1,1,,1,H27,H,,,5.236,,,,cAMP,,,34800,bmst000052,1
22,,1,1,1,,1,H28,H,,,5.415,,,,cAMP,,,34800,bmst000052,1
23,,1,1,1,,1,H29,H,,,5.025,,,,cAMP,,,34800,bmst000052,1
24,,1,1,1,,1,H30,H,,,6.575,,,,cAMP,,,34800,bmst000052,1
25,,1,1,1,,1,H31,H,,,5.674,,,,cAMP,,,34800,bmst000052,1
26,,1,1,1,,1,H32,H,,,6.378,,,,cAMP,,,34800,bmst000052,1
27,,1,1,1,,1,H33,H,,,4.340,,,,cAMP,,,34800,bmst000052,1
28,,1,1,1,,1,H34,H,,,4.109,,,,cAMP,,,34800,bmst000052,1
1,,1,1,1,,1,C1,C,,,84.981,,,,chorismic_acid,,,34810,bmst000056,1
2,,1,1,1,,1,C2,C,,,141.806,,,,chorismic_acid,,,34810,bmst000056,1
3,,1,1,1,,1,C3,C,,,72.700,,,,chorismic_acid,,,34810,bmst000056,1
4,,1,1,1,,1,C5,C,,,132.362,,,,chorismic_acid,,,34810,bmst000056,1
5,,1,1,1,,1,C6,C,,,137.884,,,,chorismic_acid,,,34810,bmst000056,1
6,,1,1,1,,1,C8,C,,,155.092,,,,chorismic_acid,,,34810,bmst000056,1
7,,1,1,1,,1,C9,C,,,125.609,,,,chorismic_acid,,,34810,bmst000056,1
8,,1,1,1,,1,C10,C,,,168.013,,,,chorismic_acid,,,34810,bmst000056,1
9,,1,1,1,,1,C11,C,,,168.378,,,,chorismic_acid,,,34810,bmst000056,1
10,,1,1,1,,1,C12,C,,,101.246,,,,chorismic_acid,,,34810,bmst000056,1
11,,1,1,1,,1,H17,H,,,6.082,,,,chorismic_acid,,,34810,bmst000056,1
12,,1,1,1,,1,H18,H,,,8.960,,,,chorismic_acid,,,34810,bmst000056,1
13,,1,1,1,,1,H19,H,,,6.384,,,,chorismic_acid,,,34810,bmst000056,1
14,,1,1,1,,1,H20,H,,,7.763,,,,chorismic_acid,,,34810,bmst000056,1
15,,1,1,1,,1,H21,H,,,1.698,,,,chorismic_acid,,,34810,bmst000056,1
16,,1,1,1,,1,H22,H,,,7.877,,,,chorismic_acid,,,34810,bmst000056,1
17,,1,1,1,,1,H23,H,,,6.160,,,,chorismic_acid,,,34810,bmst000056,1
18,,1,1,1,,1,H24,H,,,7.514,,,,chorismic_acid,,,34810,bmst000056,1
19,,1,1,1,,1,H25,H,,,6.468,,,,chorismic_acid,,,34810,bmst000056,1
20,,1,1,1,,1,H26,H,,,6.562,,,,chorismic_acid,,,34810,bmst000056,1
1,,1,1,1,,1,C1,C,,,39.533,,,,citrate,,,34820,bmst000057,1
2,,1,1,1,,1,C2,C,,,37.308,,,,citrate,,,34820,bmst000057,1
3,,1,1,1,,1,C3,C,,,176.465,,,,citrate,,,34820,bmst000057,1
4,,1,1,1,,1,C4,C,,,183.128,,,,citrate,,,34820,bmst000057,1
5,,1,1,1,,1,C5,C,,,182.676,,,,citrate,,,34820,bmst000057,1
6,,1,1,1,,1,C6,C,,,79.063,,,,citrate,,,34820,bmst000057,1
7,,1,1,1,,1,H14,H,,,4.127,,,,citrate,,,34820,bmst000057,1
8,,1,1,1,,1,H15,H,,,3.292,,,,citrate,,,34820,bmst000057,1
9,,1,1,1,,1,H16,H,,,4.262,,,,citrate,,,34820,bmst000057,1
10,,1,1,1,,1,H17,H,,,5.557,,,,citrate,,,34820,bmst000057,1
11,,1,1,1,,1,H18,H,,,6.778,,,,citrate,,,34820,bmst000057,1
12,,1,1,1,,1,H19,H,,,6.864,,,,citrate,,,34820,bmst000057,1
13,,1,1,1,,1,H20,H,,,6.665,,,,citrate,,,34820,bmst000057,1
14,,1,1,1,,1,H21,H,,,4.851,,,,citrate,,,34820,bmst000057,1
1,,1,1,1,,1,C1,C,,,123.837,,,,coumarin,,,34830,bmst000058,1
2,,1,1,1,,1,C2,C,,,132.887,,,,coumarin,,,34830,bmst000058,1
3,,1,1,1,,1,C3,C,,,129.250,,,,coumarin,,,34830,bmst000058,1
4,,1,1,1,,1,C4,C,,,119.498,,,,coumarin,,,34830,bmst000058,1
5,,1,1,1,,1,C5,C,,,142.333,,,,coumarin,,,34830,bmst000058,1
6,,1,1,1,,1,C6,C,,,119.618,,,,coumarin,,,34830,bmst000058,1
7,,1,1,1,,1,C7,C,,,118.514,,,,coumarin,,,34830,bmst000058,1
8,,1,1,1,,1,C8,C,,,159.787,,,,coumarin,,,34830,bmst000058,1
9,,1,1,1,,1,C9,C,,,158.864,,,,coumarin,,,34830,bmst000058,1
10,,1,1,1,,1,H12,H,,,8.484,,,,coumarin,,,34830,bmst000058,1
11,,1,1,1,,1,H13,H,,,8.784,,,,coumarin,,,34830,bmst000058,1
12,,1,1,1,,1,H14,H,,,8.561,,,,coumarin,,,34830,bmst000058,1
13,,1,1,1,,1,H15,H,,,8.694,,,,coumarin,,,34830,bmst000058,1
14,,1,1,1,,1,H16,H,,,8.714,,,,coumarin,,,34830,bmst000058,1
15,,1,1,1,,1,H17,H,,,7.653,,,,coumarin,,,34830,bmst000058,1
1,,1,1,1,,1,C1,C,,,154.372,,,,creatine,,,34840,bmst000059,1
2,,1,1,1,,1,N2,N,,,71.482,,,,creatine,,,34840,bmst000059,1
3,,1,1,1,,1,N3,N,,,203.548,,,,creatine,,,34840,bmst000059,1
4,,1,1,1,,1,C4,C,,,176.480,,,,creatine,,,34840,bmst000059,1
5,,1,1,1,,1,C5,C,,,53.186,,,,creatine,,,34840,bmst000059,1
6,,1,1,1,,1,N7,N,,,79.775,,,,creatine,,,34840,bmst000059,1
7,,1,1,1,,1,C9,C,,,37.755,,,,creatine,,,34840,bmst000059,1
8,,1,1,1,,1,H10,H,,,6.871,,,,creatine,,,34840,bmst000059,1
9,,1,1,1,,1,H11,H,,,4.734,,,,creatine,,,34840,bmst000059,1
10,,1,1,1,,1,H12,H,,,4.499,,,,creatine,,,34840,bmst000059,1
11,,1,1,1,,1,H13,H,,,2.786,,,,creatine,,,34840,bmst000059,1
12,,1,1,1,,1,H14,H,,,3.690,,,,creatine,,,34840,bmst000059,1
13,,1,1,1,,1,H15,H,,,6.481,,,,creatine,,,34840,bmst000059,1
14,,1,1,1,,1,H16,H,,,4.331,,,,creatine,,,34840,bmst000059,1
15,,1,1,1,,1,H17,H,,,4.898,,,,creatine,,,34840,bmst000059,1
16,,1,1,1,,1,H18,H,,,3.026,,,,creatine,,,34840,bmst000059,1
1,,1,1,1,,1,C1,C,,,56.186,,,,dehydro_proline,,,34850,bmst000063,1
2,,1,1,1,,1,C2,C,,,135.077,,,,dehydro_proline,,,34850,bmst000063,1
3,,1,1,1,,1,C3,C,,,130.797,,,,dehydro_proline,,,34850,bmst000063,1
4,,1,1,1,,1,C4,C,,,71.953,,,,dehydro_proline,,,34850,bmst000063,1
5,,1,1,1,,1,N5,N,,,42.509,,,,dehydro_proline,,,34850,bmst000063,1
6,,1,1,1,,1,C6,C,,,177.730,,,,dehydro_proline,,,34850,bmst000063,1
7,,1,1,1,,1,H9,H,,,5.291,,,,dehydro_proline,,,34850,bmst000063,1
8,,1,1,1,,1,H10,H,,,4.779,,,,dehydro_proline,,,34850,bmst000063,1
9,,1,1,1,,1,H11,H,,,7.347,,,,dehydro_proline,,,34850,bmst000063,1
10,,1,1,1,,1,H12,H,,,7.279,,,,dehydro_proline,,,34850,bmst000063,1
11,,1,1,1,,1,H13,H,,,5.363,,,,dehydro_proline,,,34850,bmst000063,1
12,,1,1,1,,1,H14,H,,,1.423,,,,dehydro_proline,,,34850,bmst000063,1
13,,1,1,1,,1,H15,H,,,6.340,,,,dehydro_proline,,,34850,bmst000063,1
1,,1,1,1,,1,C1,C,,,169.613,,,,fumaric_acid,,,34860,bmst000074,1
2,,1,1,1,,1,C2,C,,,169.613,,,,fumaric_acid,,,34860,bmst000074,1
3,,1,1,1,,1,C3,C,,,137.945,,,,fumaric_acid,,,34860,bmst000074,1
4,,1,1,1,,1,C4,C,,,137.945,,,,fumaric_acid,,,34860,bmst000074,1
5,,1,1,1,,1,H9,H,,,8.237,,,,fumaric_acid,,,34860,bmst000074,1
6,,1,1,1,,1,H10,H,,,8.237,,,,fumaric_acid,,,34860,bmst000074,1
7,,1,1,1,,1,H11,H,,,6.747,,,,fumaric_acid,,,34860,bmst000074,1
8,,1,1,1,,1,H12,H,,,6.747,,,,fumaric_acid,,,34860,bmst000074,1
1,,1,1,1,,1,C1,C,,,183.544,,,,gluconic_acid,,,34870,bmst000076,1
2,,1,1,1,,1,C2,C,,,72.053,,,,gluconic_acid,,,34870,bmst000076,1
3,,1,1,1,,1,C3,C,,,66.275,,,,gluconic_acid,,,34870,bmst000076,1
4,,1,1,1,,1,C4,C,,,75.606,,,,gluconic_acid,,,34870,bmst000076,1
5,,1,1,1,,1,C5,C,,,70.124,,,,gluconic_acid,,,34870,bmst000076,1
6,,1,1,1,,1,C6,C,,,67.281,,,,gluconic_acid,,,34870,bmst000076,1
7,,1,1,1,,1,H14,H,,,4.960,,,,gluconic_acid,,,34870,bmst000076,1
8,,1,1,1,,1,H15,H,,,5.360,,,,gluconic_acid,,,34870,bmst000076,1
9,,1,1,1,,1,H16,H,,,4.021,,,,gluconic_acid,,,34870,bmst000076,1
10,,1,1,1,,1,H17,H,,,4.919,,,,gluconic_acid,,,34870,bmst000076,1
11,,1,1,1,,1,H18,H,,,4.472,,,,gluconic_acid,,,34870,bmst000076,1
12,,1,1,1,,1,H19,H,,,5.214,,,,gluconic_acid,,,34870,bmst000076,1
13,,1,1,1,,1,H20,H,,,6.964,,,,gluconic_acid,,,34870,bmst000076,1
14,,1,1,1,,1,H21,H,,,3.369,,,,gluconic_acid,,,34870,bmst000076,1
15,,1,1,1,,1,H22,H,,,3.515,,,,gluconic_acid,,,34870,bmst000076,1
16,,1,1,1,,1,H23,H,,,1.688,,,,gluconic_acid,,,34870,bmst000076,1
17,,1,1,1,,1,H24,H,,,2.758,,,,gluconic_acid,,,34870,bmst000076,1
18,,1,1,1,,1,H25,H,,,0.325,,,,gluconic_acid,,,34870,bmst000076,1
1,,1,1,1,,1,C1,C,,,173.317,,,,glycine,,,34880,bmst000084,1
2,,1,1,1,,1,N4,N,,,19.831,,,,glycine,,,34880,bmst000084,1
3,,1,1,1,,1,C5,C,,,44.201,,,,glycine,,,34880,bmst000084,1
4,,1,1,1,,1,H6,H,,,6.298,,,,glycine,,,34880,bmst000084,1
5,,1,1,1,,1,H7,H,,,0.438,,,,glycine,,,34880,bmst000084,1
6,,1,1,1,,1,H8,H,,,1.808,,,,glycine,,,34880,bmst000084,1
7,,1,1,1,,1,H9,H,,,4.247,,,,glycine,,,34880,bmst000084,1
8,,1,1,1,,1,H10,H,,,4.297,,,,glycine,,,34880,bmst000084,1
1,,1,1,1,,1,C1,C,,,138.642,,,,guanine,,,34890,bmst000086,1
2,,1,1,1,,1,C2,C,,,118.709,,,,guanine,,,34890,bmst000086,1
3,,1,1,1,,1,C3,C,,,148.940,,,,guanine,,,34890,bmst000086,1
4,,1,1,1,,1,C4,C,,,167.062,,,,guanine,,,34890,bmst000086,1
5,,1,1,1,,1,C5,C,,,153.875,,,,guanine,,,34890,bmst000086,1
6,,1,1,1,,1,N6,N,,,77.101,,,,guanine,,,34890,bmst000086,1
7,,1,1,1,,1,N7,N,,,154.894,,,,guanine,,,34890,bmst000086,1
8,,1,1,1,,1,N8,N,,,113.218,,,,guanine,,,34890,bmst000086,1
9,,1,1,1,,1,N9,N,,,260.710,,,,guanine,,,34890,bmst000086,1
10,,1,1,1,,1,N10,N,,,243.746,,,,guanine,,,34890,bmst000086,1
11,,1,1,1,,1,H12,H,,,8.392,,,,guanine,,,34890,bmst000086,1
12,,1,1,1,,1,H13,H,,,3.926,,,,guanine,,,34890,bmst000086,1
13,,1,1,1,,1,H14,H,,,4.511,,,,guanine,,,34890,bmst000086,1
14,,1,1,1,,1,H15,H,,,9.459,,,,guanine,,,34890,bmst000086,1
15,,1,1,1,,1,H16,H,,,7.326,,,,guanine,,,34890,bmst000086,1
1,,,1,1,,guanosine,N6,N,,,71.503,,,,guanosine,,,34899,bmst000087,1
2,,,1,1,,guanosine,N7,N,,,164.906,,,,guanosine,,,34899,bmst000087,1
3,,,1,1,,guanosine,N8,N,,,114.019,,,,guanosine,,,34899,bmst000087,1
4,,,1,1,,guanosine,N9,N,,,254.832,,,,guanosine,,,34899,bmst000087,1
5,,,1,1,,guanosine,N10,N,,,296.844,,,,guanosine,,,34899,bmst000087,1
6,,,1,1,,guanosine,C11,C,,,63.387,,,,guanosine,,,34899,bmst000087,1
7,,,1,1,,guanosine,C12,C,,,94.524,,,,guanosine,,,34899,bmst000087,1
8,,,1,1,,guanosine,C13,C,,,86.758,,,,guanosine,,,34899,bmst000087,1
9,,,1,1,,guanosine,C14,C,,,81.833,,,,guanosine,,,34899,bmst000087,1
10,,,1,1,,guanosine,C15,C,,,75.474,,,,guanosine,,,34899,bmst000087,1
11,,,1,1,,guanosine,C16,C,,,145.433,,,,guanosine,,,34899,bmst000087,1
12,,,1,1,,guanosine,C17,C,,,135.165,,,,guanosine,,,34899,bmst000087,1
13,,,1,1,,guanosine,C18,C,,,161.656,,,,guanosine,,,34899,bmst000087,1
14,,,1,1,,guanosine,C19,C,,,125.436,,,,guanosine,,,34899,bmst000087,1
15,,,1,1,,guanosine,C20,C,,,125.611,,,,guanosine,,,34899,bmst000087,1
16,,,1,1,,guanosine,H21,H,,,1.729,,,,guanosine,,,34899,bmst000087,1
17,,,1,1,,guanosine,H22,H,,,1.280,,,,guanosine,,,34899,bmst000087,1
18,,,1,1,,guanosine,H23,H,,,0.720,,,,guanosine,,,34899,bmst000087,1
19,,,1,1,,guanosine,H24,H,,,3.557,,,,guanosine,,,34899,bmst000087,1
20,,,1,1,,guanosine,H25,H,,,3.934,,,,guanosine,,,34899,bmst000087,1
21,,,1,1,,guanosine,H26,H,,,10.633,,,,guanosine,,,34899,bmst000087,1
22,,,1,1,,guanosine,H27,H,,,4.896,,,,guanosine,,,34899,bmst000087,1
23,,,1,1,,guanosine,H28,H,,,4.448,,,,guanosine,,,34899,bmst000087,1
24,,,1,1,,guanosine,H29,H,,,7.360,,,,guanosine,,,34899,bmst000087,1
25,,,1,1,,guanosine,H30,H,,,5.346,,,,guanosine,,,34899,bmst000087,1
26,,,1,1,,guanosine,H31,H,,,4.358,,,,guanosine,,,34899,bmst000087,1
27,,,1,1,,guanosine,H32,H,,,4.897,,,,guanosine,,,34899,bmst000087,1
28,,,1,1,,guanosine,H33,H,,,8.131,,,,guanosine,,,34899,bmst000087,1
1,,1,1,1,,1,C1,C,,,139.626,,,,4_hydroxybenzoic_acid,,,34909,bmst000089,1
2,,1,1,1,,1,C2,C,,,141.849,,,,4_hydroxybenzoic_acid,,,34909,bmst000089,1
3,,1,1,1,,1,C3,C,,,119.116,,,,4_hydroxybenzoic_acid,,,34909,bmst000089,1
4,,1,1,1,,1,C4,C,,,122.048,,,,4_hydroxybenzoic_acid,,,34909,bmst000089,1
5,,1,1,1,,1,C5,C,,,127.676,,,,4_hydroxybenzoic_acid,,,34909,bmst000089,1
6,,1,1,1,,1,C6,C,,,170.747,,,,4_hydroxybenzoic_acid,,,34909,bmst000089,1
7,,1,1,1,,1,C7,C,,,177.419,,,,4_hydroxybenzoic_acid,,,34909,bmst000089,1
8,,1,1,1,,1,H11,H,,,9.358,,,,4_hydroxybenzoic_acid,,,34909,bmst000089,1
9,,1,1,1,,1,H12,H,,,9.675,,,,4_hydroxybenzoic_acid,,,34909,bmst000089,1
10,,1,1,1,,1,H13,H,,,7.469,,,,4_hydroxybenzoic_acid,,,34909,bmst000089,1
11,,1,1,1,,1,H14,H,,,8.248,,,,4_hydroxybenzoic_acid,,,34909,bmst000089,1
12,,1,1,1,,1,H15,H,,,4.900,,,,4_hydroxybenzoic_acid,,,34909,bmst000089,1
13,,1,1,1,,1,H16,H,,,6.320,,,,4_hydroxybenzoic_acid,,,34909,bmst000089,1
1,,1,1,1,,1,C1,C,,,134.451,,,,4_hydroxycinnamic_acid,,,34919,bmst000090,1
2,,1,1,1,,1,C2,C,,,143.808,,,,4_hydroxycinnamic_acid,,,34919,bmst000090,1
3,,1,1,1,,1,C3,C,,,120.382,,,,4_hydroxycinnamic_acid,,,34919,bmst000090,1
4,,1,1,1,,1,C4,C,,,122.165,,,,4_hydroxycinnamic_acid,,,34919,bmst000090,1
5,,1,1,1,,1,C5,C,,,154.830,,,,4_hydroxycinnamic_acid,,,34919,bmst000090,1
6,,1,1,1,,1,C6,C,,,121.327,,,,4_hydroxycinnamic_acid,,,34919,bmst000090,1
7,,1,1,1,,1,C7,C,,,132.660,,,,4_hydroxycinnamic_acid,,,34919,bmst000090,1
8,,1,1,1,,1,C8,C,,,168.894,,,,4_hydroxycinnamic_acid,,,34919,bmst000090,1
9,,1,1,1,,1,C9,C,,,179.186,,,,4_hydroxycinnamic_acid,,,34919,bmst000090,1
10,,1,1,1,,1,H13,H,,,9.122,,,,4_hydroxycinnamic_acid,,,34919,bmst000090,1
11,,1,1,1,,1,H14,H,,,8.587,,,,4_hydroxycinnamic_acid,,,34919,bmst000090,1
12,,1,1,1,,1,H15,H,,,7.541,,,,4_hydroxycinnamic_acid,,,34919,bmst000090,1
13,,1,1,1,,1,H16,H,,,8.197,,,,4_hydroxycinnamic_acid,,,34919,bmst000090,1
14,,1,1,1,,1,H17,H,,,9.093,,,,4_hydroxycinnamic_acid,,,34919,bmst000090,1
15,,1,1,1,,1,H18,H,,,7.680,,,,4_hydroxycinnamic_acid,,,34919,bmst000090,1
16,,1,1,1,,1,H19,H,,,4.846,,,,4_hydroxycinnamic_acid,,,34919,bmst000090,1
17,,1,1,1,,1,H20,H,,,6.218,,,,4_hydroxycinnamic_acid,,,34919,bmst000090,1
1,,1,1,1,,1,C1,C,,,139.732,,,,hypoxanthine,,,34929,bmst000091,1
2,,1,1,1,,1,C2,C,,,147.033,,,,hypoxanthine,,,34929,bmst000091,1
3,,1,1,1,,1,C3,C,,,121.878,,,,hypoxanthine,,,34929,bmst000091,1
4,,1,1,1,,1,C4,C,,,147.879,,,,hypoxanthine,,,34929,bmst000091,1
5,,1,1,1,,1,C5,C,,,167.861,,,,hypoxanthine,,,34929,bmst000091,1
6,,1,1,1,,1,N6,N,,,155.091,,,,hypoxanthine,,,34929,bmst000091,1
7,,1,1,1,,1,N7,N,,,136.116,,,,hypoxanthine,,,34929,bmst000091,1
8,,1,1,1,,1,N8,N,,,261.833,,,,hypoxanthine,,,34929,bmst000091,1
9,,1,1,1,,1,N9,N,,,298.269,,,,hypoxanthine,,,34929,bmst000091,1
10,,1,1,1,,1,H11,H,,,8.582,,,,hypoxanthine,,,34929,bmst000091,1
11,,1,1,1,,1,H12,H,,,9.665,,,,hypoxanthine,,,34929,bmst000091,1
12,,1,1,1,,1,H13,H,,,9.659,,,,hypoxanthine,,,34929,bmst000091,1
13,,1,1,1,,1,H14,H,,,8.465,,,,hypoxanthine,,,34929,bmst000091,1
1,,1,1,1,,1,C2,C,,,66.984,,,,i_erythritol,,,34939,bmst000092,1
2,,1,1,1,,1,C3,C,,,71.612,,,,i_erythritol,,,34939,bmst000092,1
3,,1,1,1,,1,C4,C,,,71.612,,,,i_erythritol,,,34939,bmst000092,1
4,,1,1,1,,1,C5,C,,,66.984,,,,i_erythritol,,,34939,bmst000092,1
5,,1,1,1,,1,H9,H,,,0.267,,,,i_erythritol,,,34939,bmst000092,1
6,,1,1,1,,1,H10,H,,,4.448,,,,i_erythritol,,,34939,bmst000092,1
7,,1,1,1,,1,H11,H,,,5.248,,,,i_erythritol,,,34939,bmst000092,1
8,,1,1,1,,1,H12,H,,,4.641,,,,i_erythritol,,,34939,bmst000092,1
9,,1,1,1,,1,H13,H,,,4.641,,,,i_erythritol,,,34939,bmst000092,1
10,,1,1,1,,1,H14,H,,,4.448,,,,i_erythritol,,,34939,bmst000092,1
11,,1,1,1,,1,H15,H,,,5.248,,,,i_erythritol,,,34939,bmst000092,1
12,,1,1,1,,1,H16,H,,,0.267,,,,i_erythritol,,,34939,bmst000092,1
13,,1,1,1,,1,H17,H,,,2.684,,,,i_erythritol,,,34939,bmst000092,1
14,,1,1,1,,1,H18,H,,,2.684,,,,i_erythritol,,,34939,bmst000092,1
1,,1,1,1,,1,H1,H,,,8.493,,,,imidazole,,,34949,bmst000093,1
2,,1,1,1,,1,H2,H,,,8.266,,,,imidazole,,,34949,bmst000093,1
3,,1,1,1,,1,H3,H,,,8.561,,,,imidazole,,,34949,bmst000093,1
4,,1,1,1,,1,H4,H,,,9.053,,,,imidazole,,,34949,bmst000093,1
5,,1,1,1,,1,C5,C,,,135.654,,,,imidazole,,,34949,bmst000093,1
6,,1,1,1,,1,C6,C,,,120.789,,,,imidazole,,,34949,bmst000093,1
7,,1,1,1,,1,C7,C,,,138.871,,,,imidazole,,,34949,bmst000093,1
8,,1,1,1,,1,N8,N,,,290.715,,,,imidazole,,,34949,bmst000093,1
9,,1,1,1,,1,N9,N,,,163.851,,,,imidazole,,,34949,bmst000093,1
1,,1,1,1,,1,C1,C,,,120.798,,,,indole,,,34959,bmst000094,1
2,,1,1,1,,1,C2,C,,,122.822,,,,indole,,,34959,bmst000094,1
3,,1,1,1,,1,C3,C,,,122.009,,,,indole,,,34959,bmst000094,1
4,,1,1,1,,1,C4,C,,,109.903,,,,indole,,,34959,bmst000094,1
5,,1,1,1,,1,C5,C,,,103.534,,,,indole,,,34959,bmst000094,1
6,,1,1,1,,1,C6,C,,,123.472,,,,indole,,,34959,bmst000094,1
7,,1,1,1,,1,C7,C,,,126.032,,,,indole,,,34959,bmst000094,1
8,,1,1,1,,1,C8,C,,,132.900,,,,indole,,,34959,bmst000094,1
9,,1,1,1,,1,N9,N,,,136.153,,,,indole,,,34959,bmst000094,1
10,,1,1,1,,1,H10,H,,,8.326,,,,indole,,,34959,bmst000094,1
11,,1,1,1,,1,H11,H,,,8.339,,,,indole,,,34959,bmst000094,1
12,,1,1,1,,1,H12,H,,,8.747,,,,indole,,,34959,bmst000094,1
13,,1,1,1,,1,H13,H,,,8.219,,,,indole,,,34959,bmst000094,1
14,,1,1,1,,1,H14,H,,,7.731,,,,indole,,,34959,bmst000094,1
15,,1,1,1,,1,H15,H,,,8.079,,,,indole,,,34959,bmst000094,1
16,,1,1,1,,1,H16,H,,,7.718,,,,indole,,,34959,bmst000094,1
1,,1,1,1,,1,N6,N,,,164.556,,,,inosine,,,34969,bmst000095,1
2,,1,1,1,,1,N7,N,,,129.988,,,,inosine,,,34969,bmst000095,1
3,,1,1,1,,1,N8,N,,,306.152,,,,inosine,,,34969,bmst000095,1
4,,1,1,1,,1,N9,N,,,295.448,,,,inosine,,,34969,bmst000095,1
5,,1,1,1,,1,C10,C,,,63.570,,,,inosine,,,34969,bmst000095,1
6,,1,1,1,,1,C11,C,,,93.962,,,,inosine,,,34969,bmst000095,1
7,,1,1,1,,1,C12,C,,,85.851,,,,inosine,,,34969,bmst000095,1
8,,1,1,1,,1,C13,C,,,80.612,,,,inosine,,,34969,bmst000095,1
9,,1,1,1,,1,C14,C,,,75.486,,,,inosine,,,34969,bmst000095,1
10,,1,1,1,,1,C15,C,,,134.397,,,,inosine,,,34969,bmst000095,1
11,,1,1,1,,1,C16,C,,,162.545,,,,inosine,,,34969,bmst000095,1
12,,1,1,1,,1,C17,C,,,127.541,,,,inosine,,,34969,bmst000095,1
13,,1,1,1,,1,C18,C,,,138.446,,,,inosine,,,34969,bmst000095,1
14,,1,1,1,,1,C19,C,,,127.046,,,,inosine,,,34969,bmst000095,1
15,,1,1,1,,1,H20,H,,,1.160,,,,inosine,,,34969,bmst000095,1
16,,1,1,1,,1,H21,H,,,1.227,,,,inosine,,,34969,bmst000095,1
17,,1,1,1,,1,H22,H,,,0.739,,,,inosine,,,34969,bmst000095,1
18,,1,1,1,,1,H23,H,,,10.804,,,,inosine,,,34969,bmst000095,1
19,,1,1,1,,1,H24,H,,,4.855,,,,inosine,,,34969,bmst000095,1
20,,1,1,1,,1,H25,H,,,4.585,,,,inosine,,,34969,bmst000095,1
21,,1,1,1,,1,H26,H,,,7.338,,,,inosine,,,34969,bmst000095,1
22,,1,1,1,,1,H27,H,,,5.364,,,,inosine,,,34969,bmst000095,1
23,,1,1,1,,1,H28,H,,,4.521,,,,inosine,,,34969,bmst000095,1
24,,1,1,1,,1,H29,H,,,4.903,,,,inosine,,,34969,bmst000095,1
25,,1,1,1,,1,H30,H,,,9.233,,,,inosine,,,34969,bmst000095,1
26,,1,1,1,,1,H31,H,,,8.258,,,,inosine,,,34969,bmst000095,1
1,,1,1,1,,1,C1,C,,,178.422,,,,L_citrulline,,,34979,bmst000097,1
2,,1,1,1,,1,C4,C,,,55.584,,,,L_citrulline,,,34979,bmst000097,1
3,,1,1,1,,1,N5,N,,,35.281,,,,L_citrulline,,,34979,bmst000097,1
4,,1,1,1,,1,C6,C,,,30.546,,,,L_citrulline,,,34979,bmst000097,1
5,,1,1,1,,1,C7,C,,,26.151,,,,L_citrulline,,,34979,bmst000097,1
6,,1,1,1,,1,C8,C,,,40.778,,,,L_citrulline,,,34979,bmst000097,1
7,,1,1,1,,1,N9,N,,,91.911,,,,L_citrulline,,,34979,bmst000097,1
8,,1,1,1,,1,C10,C,,,153.937,,,,L_citrulline,,,34979,bmst000097,1
9,,1,1,1,,1,N12,N,,,79.028,,,,L_citrulline,,,34979,bmst000097,1
10,,1,1,1,,1,H13,H,,,6.342,,,,L_citrulline,,,34979,bmst000097,1
11,,1,1,1,,1,H14,H,,,3.583,,,,L_citrulline,,,34979,bmst000097,1
12,,1,1,1,,1,H15,H,,,1.333,,,,L_citrulline,,,34979,bmst000097,1
13,,1,1,1,,1,H16,H,,,1.798,,,,L_citrulline,,,34979,bmst000097,1
14,,1,1,1,,1,H17,H,,,2.179,,,,L_citrulline,,,34979,bmst000097,1
15,,1,1,1,,1,H18,H,,,2.379,,,,L_citrulline,,,34979,bmst000097,1
16,,1,1,1,,1,H19,H,,,2.364,,,,L_citrulline,,,34979,bmst000097,1
17,,1,1,1,,1,H20,H,,,3.802,,,,L_citrulline,,,34979,bmst000097,1
18,,1,1,1,,1,H21,H,,,3.776,,,,L_citrulline,,,34979,bmst000097,1
19,,1,1,1,,1,H22,H,,,3.933,,,,L_citrulline,,,34979,bmst000097,1
20,,1,1,1,,1,H23,H,,,3.436,,,,L_citrulline,,,34979,bmst000097,1
21,,1,1,1,,1,H24,H,,,3.417,,,,L_citrulline,,,34979,bmst000097,1
22,,1,1,1,,1,H25,H,,,3.800,,,,L_citrulline,,,34979,bmst000097,1
1,,1,1,1,,1,C1,C,,,53.832,,,,L_cystathionine,,,34989,bmst000098,1
2,,1,1,1,,1,C2,C,,,30.575,,,,L_cystathionine,,,34989,bmst000098,1
3,,1,1,1,,1,C3,C,,,182.558,,,,L_cystathionine,,,34989,bmst000098,1
4,,1,1,1,,1,N4,N,,,34.521,,,,L_cystathionine,,,34989,bmst000098,1
5,,1,1,1,,1,C5,C,,,31.761,,,,L_cystathionine,,,34989,bmst000098,1
6,,1,1,1,,1,C9,C,,,38.197,,,,L_cystathionine,,,34989,bmst000098,1
7,,1,1,1,,1,C10,C,,,53.466,,,,L_cystathionine,,,34989,bmst000098,1
8,,1,1,1,,1,C11,C,,,181.359,,,,L_cystathionine,,,34989,bmst000098,1
9,,1,1,1,,1,N12,N,,,38.266,,,,L_cystathionine,,,34989,bmst000098,1
10,,1,1,1,,1,H15,H,,,4.190,,,,L_cystathionine,,,34989,bmst000098,1
11,,1,1,1,,1,H16,H,,,2.950,,,,L_cystathionine,,,34989,bmst000098,1
12,,1,1,1,,1,H17,H,,,2.563,,,,L_cystathionine,,,34989,bmst000098,1
13,,1,1,1,,1,H18,H,,,1.306,,,,L_cystathionine,,,34989,bmst000098,1
14,,1,1,1,,1,H19,H,,,1.578,,,,L_cystathionine,,,34989,bmst000098,1
15,,1,1,1,,1,H20,H,,,3.334,,,,L_cystathionine,,,34989,bmst000098,1
16,,1,1,1,,1,H21,H,,,4.215,,,,L_cystathionine,,,34989,bmst000098,1
17,,1,1,1,,1,H22,H,,,6.434,,,,L_cystathionine,,,34989,bmst000098,1
18,,1,1,1,,1,H23,H,,,3.539,,,,L_cystathionine,,,34989,bmst000098,1
19,,1,1,1,,1,H24,H,,,3.876,,,,L_cystathionine,,,34989,bmst000098,1
20,,1,1,1,,1,H25,H,,,4.624,,,,L_cystathionine,,,34989,bmst000098,1
21,,1,1,1,,1,H26,H,,,1.424,,,,L_cystathionine,,,34989,bmst000098,1
22,,1,1,1,,1,H27,H,,,1.508,,,,L_cystathionine,,,34989,bmst000098,1
23,,1,1,1,,1,H28,H,,,6.453,,,,L_cystathionine,,,34989,bmst000098,1
1,,1,1,1,,1,N1,N,,,38.160,,,,L_homoserine,,,34999,bmst000101,1
2,,1,1,1,,1,C2,C,,,52.253,,,,L_homoserine,,,34999,bmst000101,1
3,,1,1,1,,1,C3,C,,,179.760,,,,L_homoserine,,,34999,bmst000101,1
4,,1,1,1,,1,C4,C,,,35.762,,,,L_homoserine,,,34999,bmst000101,1
5,,1,1,1,,1,C7,C,,,62.274,,,,L_homoserine,,,34999,bmst000101,1
6,,1,1,1,,1,H9,H,,,2.184,,,,L_homoserine,,,34999,bmst000101,1
7,,1,1,1,,1,H10,H,,,0.700,,,,L_homoserine,,,34999,bmst000101,1
8,,1,1,1,,1,H11,H,,,4.313,,,,L_homoserine,,,34999,bmst000101,1
9,,1,1,1,,1,H12,H,,,2.753,,,,L_homoserine,,,34999,bmst000101,1
10,,1,1,1,,1,H13,H,,,3.434,,,,L_homoserine,,,34999,bmst000101,1
11,,1,1,1,,1,H14,H,,,6.427,,,,L_homoserine,,,34999,bmst000101,1
12,,1,1,1,,1,H15,H,,,4.623,,,,L_homoserine,,,34999,bmst000101,1
13,,1,1,1,,1,H16,H,,,5.325,,,,L_homoserine,,,34999,bmst000101,1
14,,1,1,1,,1,H17,H,,,-0.061,,,,L_homoserine,,,34999,bmst000101,1
1,,1,1,1,,1,C2,C,,,66.984,,,,meso_erythritol,,,35009,bmst000105,1
2,,1,1,1,,1,C3,C,,,71.612,,,,meso_erythritol,,,35009,bmst000105,1
3,,1,1,1,,1,C4,C,,,71.612,,,,meso_erythritol,,,35009,bmst000105,1
4,,1,1,1,,1,C5,C,,,66.984,,,,meso_erythritol,,,35009,bmst000105,1
5,,1,1,1,,1,H9,H,,,0.267,,,,meso_erythritol,,,35009,bmst000105,1
6,,1,1,1,,1,H10,H,,,4.448,,,,meso_erythritol,,,35009,bmst000105,1
7,,1,1,1,,1,H11,H,,,5.248,,,,meso_erythritol,,,35009,bmst000105,1
8,,1,1,1,,1,H12,H,,,4.641,,,,meso_erythritol,,,35009,bmst000105,1
9,,1,1,1,,1,H13,H,,,4.641,,,,meso_erythritol,,,35009,bmst000105,1
10,,1,1,1,,1,H14,H,,,4.448,,,,meso_erythritol,,,35009,bmst000105,1
11,,1,1,1,,1,H15,H,,,5.248,,,,meso_erythritol,,,35009,bmst000105,1
12,,1,1,1,,1,H16,H,,,0.267,,,,meso_erythritol,,,35009,bmst000105,1
13,,1,1,1,,1,H17,H,,,2.684,,,,meso_erythritol,,,35009,bmst000105,1
14,,1,1,1,,1,H18,H,,,2.684,,,,meso_erythritol,,,35009,bmst000105,1
1,,1,1,1,,1,C1,C,,,71.014,,,,muco_inositol,,,35019,bmst000108,1
2,,1,1,1,,1,C2,C,,,70.746,,,,muco_inositol,,,35019,bmst000108,1
3,,1,1,1,,1,C3,C,,,69.989,,,,muco_inositol,,,35019,bmst000108,1
4,,1,1,1,,1,C4,C,,,75.023,,,,muco_inositol,,,35019,bmst000108,1
5,,1,1,1,,1,C5,C,,,72.732,,,,muco_inositol,,,35019,bmst000108,1
6,,1,1,1,,1,C6,C,,,70.198,,,,muco_inositol,,,35019,bmst000108,1
7,,1,1,1,,1,H13,H,,,4.331,,,,muco_inositol,,,35019,bmst000108,1
8,,1,1,1,,1,H14,H,,,4.839,,,,muco_inositol,,,35019,bmst000108,1
9,,1,1,1,,1,H15,H,,,4.368,,,,muco_inositol,,,35019,bmst000108,1
10,,1,1,1,,1,H16,H,,,4.353,,,,muco_inositol,,,35019,bmst000108,1
11,,1,1,1,,1,H17,H,,,5.313,,,,muco_inositol,,,35019,bmst000108,1
12,,1,1,1,,1,H18,H,,,5.059,,,,muco_inositol,,,35019,bmst000108,1
13,,1,1,1,,1,H19,H,,,2.326,,,,muco_inositol,,,35019,bmst000108,1
14,,1,1,1,,1,H20,H,,,2.974,,,,muco_inositol,,,35019,bmst000108,1
15,,1,1,1,,1,H21,H,,,2.145,,,,muco_inositol,,,35019,bmst000108,1
16,,1,1,1,,1,H22,H,,,0.201,,,,muco_inositol,,,35019,bmst000108,1
17,,1,1,1,,1,H23,H,,,2.308,,,,muco_inositol,,,35019,bmst000108,1
18,,1,1,1,,1,H24,H,,,3.535,,,,muco_inositol,,,35019,bmst000108,1
1,,1,1,1,,1,C1,C,,,69.755,,,,myo_inositol,,,35029,bmst000109,1
2,,1,1,1,,1,C2,C,,,73.175,,,,myo_inositol,,,35029,bmst000109,1
3,,1,1,1,,1,C3,C,,,74.186,,,,myo_inositol,,,35029,bmst000109,1
4,,1,1,1,,1,C4,C,,,72.714,,,,myo_inositol,,,35029,bmst000109,1
5,,1,1,1,,1,C5,C,,,73.418,,,,myo_inositol,,,35029,bmst000109,1
6,,1,1,1,,1,C6,C,,,74.489,,,,myo_inositol,,,35029,bmst000109,1
7,,1,1,1,,1,H13,H,,,3.994,,,,myo_inositol,,,35029,bmst000109,1
8,,1,1,1,,1,H14,H,,,3.602,,,,myo_inositol,,,35029,bmst000109,1
9,,1,1,1,,1,H15,H,,,4.768,,,,myo_inositol,,,35029,bmst000109,1
10,,1,1,1,,1,H16,H,,,3.786,,,,myo_inositol,,,35029,bmst000109,1
11,,1,1,1,,1,H17,H,,,3.747,,,,myo_inositol,,,35029,bmst000109,1
12,,1,1,1,,1,H18,H,,,4.150,,,,myo_inositol,,,35029,bmst000109,1
13,,1,1,1,,1,H19,H,,,2.168,,,,myo_inositol,,,35029,bmst000109,1
14,,1,1,1,,1,H20,H,,,2.137,,,,myo_inositol,,,35029,bmst000109,1
15,,1,1,1,,1,H21,H,,,1.791,,,,myo_inositol,,,35029,bmst000109,1
16,,1,1,1,,1,H22,H,,,-0.246,,,,myo_inositol,,,35029,bmst000109,1
17,,1,1,1,,1,H23,H,,,-0.151,,,,myo_inositol,,,35029,bmst000109,1
18,,1,1,1,,1,H24,H,,,1.689,,,,myo_inositol,,,35029,bmst000109,1
1,,1,1,1,,1,C1,C,,,46.290,,,,N_acetyl_D_mannosamine,,,35039,bmst000110,1
2,,1,1,1,,1,C2,C,,,75.291,,,,N_acetyl_D_mannosamine,,,35039,bmst000110,1
3,,1,1,1,,1,C3,C,,,92.360,,,,N_acetyl_D_mannosamine,,,35039,bmst000110,1
4,,1,1,1,,1,N4,N,,,120.783,,,,N_acetyl_D_mannosamine,,,35039,bmst000110,1
5,,1,1,1,,1,C5,C,,,68.704,,,,N_acetyl_D_mannosamine,,,35039,bmst000110,1
6,,1,1,1,,1,C9,C,,,164.786,,,,N_acetyl_D_mannosamine,,,35039,bmst000110,1
7,,1,1,1,,1,C10,C,,,80.074,,,,N_acetyl_D_mannosamine,,,35039,bmst000110,1
8,,1,1,1,,1,C12,C,,,21.408,,,,N_acetyl_D_mannosamine,,,35039,bmst000110,1
9,,1,1,1,,1,C14,C,,,58.692,,,,N_acetyl_D_mannosamine,,,35039,bmst000110,1
10,,1,1,1,,1,H16,H,,,5.166,,,,N_acetyl_D_mannosamine,,,35039,bmst000110,1
11,,1,1,1,,1,H17,H,,,4.663,,,,N_acetyl_D_mannosamine,,,35039,bmst000110,1
12,,1,1,1,,1,H18,H,,,6.380,,,,N_acetyl_D_mannosamine,,,35039,bmst000110,1
13,,1,1,1,,1,H19,H,,,6.226,,,,N_acetyl_D_mannosamine,,,35039,bmst000110,1
14,,1,1,1,,1,H20,H,,,3.968,,,,N_acetyl_D_mannosamine,,,35039,bmst000110,1
15,,1,1,1,,1,H21,H,,,0.408,,,,N_acetyl_D_mannosamine,,,35039,bmst000110,1
16,,1,1,1,,1,H22,H,,,1.604,,,,N_acetyl_D_mannosamine,,,35039,bmst000110,1
17,,1,1,1,,1,H23,H,,,5.368,,,,N_acetyl_D_mannosamine,,,35039,bmst000110,1
18,,1,1,1,,1,H24,H,,,2.232,,,,N_acetyl_D_mannosamine,,,35039,bmst000110,1
19,,1,1,1,,1,H25,H,,,3.141,,,,N_acetyl_D_mannosamine,,,35039,bmst000110,1
20,,1,1,1,,1,H26,H,,,3.382,,,,N_acetyl_D_mannosamine,,,35039,bmst000110,1
21,,1,1,1,,1,H27,H,,,2.340,,,,N_acetyl_D_mannosamine,,,35039,bmst000110,1
22,,1,1,1,,1,H28,H,,,4.191,,,,N_acetyl_D_mannosamine,,,35039,bmst000110,1
23,,1,1,1,,1,H29,H,,,5.923,,,,N_acetyl_D_mannosamine,,,35039,bmst000110,1
24,,1,1,1,,1,H30,H,,,-0.038,,,,N_acetyl_D_mannosamine,,,35039,bmst000110,1
1,,1,1,1,,1,C1,C,,,129.501,,,,NAD,,,35049,bmst000112,1
2,,1,1,1,,1,C2,C,,,150.465,,,,NAD,,,35049,bmst000112,1
3,,1,1,1,,1,C3,C,,,142.296,,,,NAD,,,35049,bmst000112,1
4,,1,1,1,,1,C4,C,,,142.333,,,,NAD,,,35049,bmst000112,1
5,,1,1,1,,1,C5,C,,,156.889,,,,NAD,,,35049,bmst000112,1
6,,1,1,1,,1,C6,C,,,136.892,,,,NAD,,,35049,bmst000112,1
7,,1,1,1,,1,C7,C,,,71.065,,,,NAD,,,35049,bmst000112,1
8,,1,1,1,,1,C8,C,,,67.385,,,,NAD,,,35049,bmst000112,1
9,,1,1,1,,1,C9,C,,,135.954,,,,NAD,,,35049,bmst000112,1
10,,1,1,1,,1,C10,C,,,118.540,,,,NAD,,,35049,bmst000112,1
11,,1,1,1,,1,C11,C,,,155.013,,,,NAD,,,35049,bmst000112,1
12,,1,1,1,,1,C12,C,,,148.881,,,,NAD,,,35049,bmst000112,1
13,,1,1,1,,1,C13,C,,,79.346,,,,NAD,,,35049,bmst000112,1
14,,1,1,1,,1,C14,C,,,86.927,,,,NAD,,,35049,bmst000112,1
15,,1,1,1,,1,C15,C,,,74.284,,,,NAD,,,35049,bmst000112,1
16,,1,1,1,,1,C16,C,,,68.555,,,,NAD,,,35049,bmst000112,1
17,,1,1,1,,1,C17,C,,,76.187,,,,NAD,,,35049,bmst000112,1
18,,1,1,1,,1,C18,C,,,73.563,,,,NAD,,,35049,bmst000112,1
19,,1,1,1,,1,C19,C,,,89.507,,,,NAD,,,35049,bmst000112,1
20,,1,1,1,,1,C20,C,,,97.229,,,,NAD,,,35049,bmst000112,1
21,,1,1,1,,1,C21,C,,,161.053,,,,NAD,,,35049,bmst000112,1
22,,1,1,1,,1,N22,N,,,84.496,,,,NAD,,,35049,bmst000112,1
23,,1,1,1,,1,N23,N,,,107.211,,,,NAD,,,35049,bmst000112,1
24,,1,1,1,,1,N24,N,,,263.107,,,,NAD,,,35049,bmst000112,1
25,,1,1,1,,1,N25,N,,,251.026,,,,NAD,,,35049,bmst000112,1
26,,1,1,1,,1,N26,N,,,270.852,,,,NAD,,,35049,bmst000112,1
27,,1,1,1,,1,N27,N,,,177.786,,,,NAD,,,35049,bmst000112,1
28,,1,1,1,,1,N28,N,,,215.207,,,,NAD,,,35049,bmst000112,1
29,,1,1,1,,1,P43,P,,,-5.132,,,,NAD,,,35049,bmst000112,1
30,,1,1,1,,1,P44,P,,,-6.649,,,,NAD,,,35049,bmst000112,1
31,,1,1,1,,1,H45,H,,,9.537,,,,NAD,,,35049,bmst000112,1
32,,1,1,1,,1,H46,H,,,10.170,,,,NAD,,,35049,bmst000112,1
33,,1,1,1,,1,H47,H,,,10.595,,,,NAD,,,35049,bmst000112,1
34,,1,1,1,,1,H48,H,,,10.690,,,,NAD,,,35049,bmst000112,1
35,,1,1,1,,1,H49,H,,,10.352,,,,NAD,,,35049,bmst000112,1
36,,1,1,1,,1,H50,H,,,8.163,,,,NAD,,,35049,bmst000112,1
37,,1,1,1,,1,H51,H,,,5.927,,,,NAD,,,35049,bmst000112,1
38,,1,1,1,,1,H52,H,,,5.539,,,,NAD,,,35049,bmst000112,1
39,,1,1,1,,1,H53,H,,,5.685,,,,NAD,,,35049,bmst000112,1
40,,1,1,1,,1,H54,H,,,5.662,,,,NAD,,,35049,bmst000112,1
41,,1,1,1,,1,H55,H,,,5.669,,,,NAD,,,35049,bmst000112,1
42,,1,1,1,,1,H56,H,,,5.218,,,,NAD,,,35049,bmst000112,1
43,,1,1,1,,1,H57,H,,,4.593,,,,NAD,,,35049,bmst000112,1
44,,1,1,1,,1,H58,H,,,4.986,,,,NAD,,,35049,bmst000112,1
45,,1,1,1,,1,H59,H,,,4.718,,,,NAD,,,35049,bmst000112,1
46,,1,1,1,,1,H60,H,,,4.859,,,,NAD,,,35049,bmst000112,1
47,,1,1,1,,1,H61,H,,,7.720,,,,NAD,,,35049,bmst000112,1
48,,1,1,1,,1,H62,H,,,6.079,,,,NAD,,,35049,bmst000112,1
49,,1,1,1,,1,H63,H,,,5.471,,,,NAD,,,35049,bmst000112,1
50,,1,1,1,,1,H64,H,,,5.847,,,,NAD,,,35049,bmst000112,1
51,,1,1,1,,1,H65,H,,,5.875,,,,NAD,,,35049,bmst000112,1
52,,1,1,1,,1,H66,H,,,7.399,,,,NAD,,,35049,bmst000112,1
53,,1,1,1,,1,H67,H,,,1.187,,,,NAD,,,35049,bmst000112,1
54,,1,1,1,,1,H68,H,,,0.952,,,,NAD,,,35049,bmst000112,1
55,,1,1,1,,1,H69,H,,,3.215,,,,NAD,,,35049,bmst000112,1
56,,1,1,1,,1,H70,H,,,4.058,,,,NAD,,,35049,bmst000112,1
57,,1,1,1,,1,H71,H,,,4.944,,,,NAD,,,35049,bmst000112,1
58,,1,1,1,,1,H72,H,,,4.947,,,,NAD,,,35049,bmst000112,1
1,,1,1,1,,1,C1,C,,,153.317,,,,NADH,,,35059,bmst000113,1
2,,1,1,1,,1,C2,C,,,139.203,,,,NADH,,,35059,bmst000113,1
3,,1,1,1,,1,C3,C,,,22.235,,,,NADH,,,35059,bmst000113,1
4,,1,1,1,,1,C4,C,,,105.256,,,,NADH,,,35059,bmst000113,1
5,,1,1,1,,1,C5,C,,,125.211,,,,NADH,,,35059,bmst000113,1
6,,1,1,1,,1,C6,C,,,136.423,,,,NADH,,,35059,bmst000113,1
7,,1,1,1,,1,C7,C,,,73.243,,,,NADH,,,35059,bmst000113,1
8,,1,1,1,,1,C8,C,,,70.680,,,,NADH,,,35059,bmst000113,1
9,,1,1,1,,1,C9,C,,,121.098,,,,NADH,,,35059,bmst000113,1
10,,1,1,1,,1,C10,C,,,153.448,,,,NADH,,,35059,bmst000113,1
11,,1,1,1,,1,C11,C,,,148.306,,,,NADH,,,35059,bmst000113,1
12,,1,1,1,,1,C12,C,,,80.434,,,,NADH,,,35059,bmst000113,1
13,,1,1,1,,1,C13,C,,,79.803,,,,NADH,,,35059,bmst000113,1
14,,1,1,1,,1,C14,C,,,73.806,,,,NADH,,,35059,bmst000113,1
15,,1,1,1,,1,C15,C,,,72.886,,,,NADH,,,35059,bmst000113,1
16,,1,1,1,,1,C16,C,,,73.882,,,,NADH,,,35059,bmst000113,1
17,,1,1,1,,1,C17,C,,,77.515,,,,NADH,,,35059,bmst000113,1
18,,1,1,1,,1,C18,C,,,95.192,,,,NADH,,,35059,bmst000113,1
19,,1,1,1,,1,C19,C,,,101.680,,,,NADH,,,35059,bmst000113,1
20,,1,1,1,,1,C20,C,,,101.083,,,,NADH,,,35059,bmst000113,1
21,,1,1,1,,1,C21,C,,,165.500,,,,NADH,,,35059,bmst000113,1
22,,1,1,1,,1,N22,N,,,83.796,,,,NADH,,,35059,bmst000113,1
23,,1,1,1,,1,N23,N,,,99.914,,,,NADH,,,35059,bmst000113,1
24,,1,1,1,,1,N24,N,,,258.150,,,,NADH,,,35059,bmst000113,1
25,,1,1,1,,1,N25,N,,,250.066,,,,NADH,,,35059,bmst000113,1
26,,1,1,1,,1,N26,N,,,264.653,,,,NADH,,,35059,bmst000113,1
27,,1,1,1,,1,N27,N,,,174.055,,,,NADH,,,35059,bmst000113,1
28,,1,1,1,,1,N28,N,,,125.844,,,,NADH,,,35059,bmst000113,1
29,,1,1,1,,1,P43,P,,,-5.294,,,,NADH,,,35059,bmst000113,1
30,,1,1,1,,1,P44,P,,,-1.777,,,,NADH,,,35059,bmst000113,1
31,,1,1,1,,1,H45,H,,,9.989,,,,NADH,,,35059,bmst000113,1
32,,1,1,1,,1,H46,H,,,9.589,,,,NADH,,,35059,bmst000113,1
33,,1,1,1,,1,H47,H,,,3.836,,,,NADH,,,35059,bmst000113,1
34,,1,1,1,,1,H48,H,,,3.599,,,,NADH,,,35059,bmst000113,1
35,,1,1,1,,1,H49,H,,,5.902,,,,NADH,,,35059,bmst000113,1
36,,1,1,1,,1,H50,H,,,7.105,,,,NADH,,,35059,bmst000113,1
37,,1,1,1,,1,H51,H,,,8.483,,,,NADH,,,35059,bmst000113,1
38,,1,1,1,,1,H52,H,,,5.761,,,,NADH,,,35059,bmst000113,1
39,,1,1,1,,1,H53,H,,,5.654,,,,NADH,,,35059,bmst000113,1
40,,1,1,1,,1,H54,H,,,5.412,,,,NADH,,,35059,bmst000113,1
41,,1,1,1,,1,H55,H,,,5.860,,,,NADH,,,35059,bmst000113,1
42,,1,1,1,,1,H56,H,,,5.673,,,,NADH,,,35059,bmst000113,1
43,,1,1,1,,1,H57,H,,,5.530,,,,NADH,,,35059,bmst000113,1
44,,1,1,1,,1,H58,H,,,4.476,,,,NADH,,,35059,bmst000113,1
45,,1,1,1,,1,H59,H,,,4.213,,,,NADH,,,35059,bmst000113,1
46,,1,1,1,,1,H60,H,,,6.229,,,,NADH,,,35059,bmst000113,1
47,,1,1,1,,1,H61,H,,,4.483,,,,NADH,,,35059,bmst000113,1
48,,1,1,1,,1,H62,H,,,7.139,,,,NADH,,,35059,bmst000113,1
49,,1,1,1,,1,H63,H,,,5.492,,,,NADH,,,35059,bmst000113,1
50,,1,1,1,,1,H64,H,,,5.197,,,,NADH,,,35059,bmst000113,1
51,,1,1,1,,1,H65,H,,,6.057,,,,NADH,,,35059,bmst000113,1
52,,1,1,1,,1,H66,H,,,4.475,,,,NADH,,,35059,bmst000113,1
53,,1,1,1,,1,H67,H,,,5.117,,,,NADH,,,35059,bmst000113,1
54,,1,1,1,,1,H68,H,,,0.440,,,,NADH,,,35059,bmst000113,1
55,,1,1,1,,1,H69,H,,,3.688,,,,NADH,,,35059,bmst000113,1
56,,1,1,1,,1,H70,H,,,2.815,,,,NADH,,,35059,bmst000113,1
57,,1,1,1,,1,H71,H,,,1.167,,,,NADH,,,35059,bmst000113,1
58,,1,1,1,,1,H72,H,,,4.736,,,,NADH,,,35059,bmst000113,1
59,,1,1,1,,1,H73,H,,,4.045,,,,NADH,,,35059,bmst000113,1
1,,1,1,1,,1,H1,H,,,10.170,,,,NADPH,,,35069,bmst000114,1
2,,1,1,1,,1,H2,H,,,9.112,,,,NADPH,,,35069,bmst000114,1
3,,1,1,1,,1,H3,H,,,5.919,,,,NADPH,,,35069,bmst000114,1
4,,1,1,1,,1,H4,H,,,6.954,,,,NADPH,,,35069,bmst000114,1
5,,1,1,1,,1,H5,H,,,8.670,,,,NADPH,,,35069,bmst000114,1
6,,1,1,1,,1,H6,H,,,3.616,,,,NADPH,,,35069,bmst000114,1
7,,1,1,1,,1,H7,H,,,3.869,,,,NADPH,,,35069,bmst000114,1
8,,1,1,1,,1,H8,H,,,4.903,,,,NADPH,,,35069,bmst000114,1
9,,1,1,1,,1,H9,H,,,4.182,,,,NADPH,,,35069,bmst000114,1
10,,1,1,1,,1,H10,H,,,5.714,,,,NADPH,,,35069,bmst000114,1
11,,1,1,1,,1,H11,H,,,4.793,,,,NADPH,,,35069,bmst000114,1
12,,1,1,1,,1,H12,H,,,5.685,,,,NADPH,,,35069,bmst000114,1
13,,1,1,1,,1,H13,H,,,4.783,,,,NADPH,,,35069,bmst000114,1
14,,1,1,1,,1,H14,H,,,8.064,,,,NADPH,,,35069,bmst000114,1
15,,1,1,1,,1,H15,H,,,5.768,,,,NADPH,,,35069,bmst000114,1
16,,1,1,1,,1,H16,H,,,5.336,,,,NADPH,,,35069,bmst000114,1
17,,1,1,1,,1,H17,H,,,5.132,,,,NADPH,,,35069,bmst000114,1
18,,1,1,1,,1,H18,H,,,5.395,,,,NADPH,,,35069,bmst000114,1
19,,1,1,1,,1,H19,H,,,5.572,,,,NADPH,,,35069,bmst000114,1
20,,1,1,1,,1,H20,H,,,5.563,,,,NADPH,,,35069,bmst000114,1
21,,1,1,1,,1,H21,H,,,8.252,,,,NADPH,,,35069,bmst000114,1
22,,1,1,1,,1,H22,H,,,4.440,,,,NADPH,,,35069,bmst000114,1
23,,1,1,1,,1,H23,H,,,5.126,,,,NADPH,,,35069,bmst000114,1
24,,1,1,1,,1,H24,H,,,4.617,,,,NADPH,,,35069,bmst000114,1
25,,1,1,1,,1,H25,H,,,4.325,,,,NADPH,,,35069,bmst000114,1
26,,1,1,1,,1,H26,H,,,6.660,,,,NADPH,,,35069,bmst000114,1
27,,1,1,1,,1,C27,C,,,155.950,,,,NADPH,,,35069,bmst000114,1
28,,1,1,1,,1,C28,C,,,136.920,,,,NADPH,,,35069,bmst000114,1
29,,1,1,1,,1,C29,C,,,118.859,,,,NADPH,,,35069,bmst000114,1
30,,1,1,1,,1,C30,C,,,149.681,,,,NADPH,,,35069,bmst000114,1
31,,1,1,1,,1,C31,C,,,155.126,,,,NADPH,,,35069,bmst000114,1
32,,1,1,1,,1,C32,C,,,105.358,,,,NADPH,,,35069,bmst000114,1
33,,1,1,1,,1,C33,C,,,126.462,,,,NADPH,,,35069,bmst000114,1
34,,1,1,1,,1,C34,C,,,138.597,,,,NADPH,,,35069,bmst000114,1
35,,1,1,1,,1,C35,C,,,100.376,,,,NADPH,,,35069,bmst000114,1
36,,1,1,1,,1,C36,C,,,166.061,,,,NADPH,,,35069,bmst000114,1
37,,1,1,1,,1,C37,C,,,22.191,,,,NADPH,,,35069,bmst000114,1
38,,1,1,1,,1,C38,C,,,71.448,,,,NADPH,,,35069,bmst000114,1
39,,1,1,1,,1,C39,C,,,73.017,,,,NADPH,,,35069,bmst000114,1
40,,1,1,1,,1,C40,C,,,80.635,,,,NADPH,,,35069,bmst000114,1
41,,1,1,1,,1,C41,C,,,76.435,,,,NADPH,,,35069,bmst000114,1
42,,1,1,1,,1,C42,C,,,85.112,,,,NADPH,,,35069,bmst000114,1
43,,1,1,1,,1,C43,C,,,80.599,,,,NADPH,,,35069,bmst000114,1
44,,1,1,1,,1,C44,C,,,85.788,,,,NADPH,,,35069,bmst000114,1
45,,1,1,1,,1,C45,C,,,102.633,,,,NADPH,,,35069,bmst000114,1
46,,1,1,1,,1,C46,C,,,66.682,,,,NADPH,,,35069,bmst000114,1
47,,1,1,1,,1,C47,C,,,70.192,,,,NADPH,,,35069,bmst000114,1
48,,1,1,1,,1,N48,N,,,243.863,,,,NADPH,,,35069,bmst000114,1
49,,1,1,1,,1,N49,N,,,266.281,,,,NADPH,,,35069,bmst000114,1
50,,1,1,1,,1,N50,N,,,260.554,,,,NADPH,,,35069,bmst000114,1
51,,1,1,1,,1,N51,N,,,165.663,,,,NADPH,,,35069,bmst000114,1
52,,1,1,1,,1,N52,N,,,126.645,,,,NADPH,,,35069,bmst000114,1
53,,1,1,1,,1,N53,N,,,93.187,,,,NADPH,,,35069,bmst000114,1
54,,1,1,1,,1,N54,N,,,99.687,,,,NADPH,,,35069,bmst000114,1
55,,1,1,1,,1,P72,P,,,5.339,,,,NADPH,,,35069,bmst000114,1
56,,1,1,1,,1,P73,P,,,-3.223,,,,NADPH,,,35069,bmst000114,1
57,,1,1,1,,1,P74,P,,,-1.485,,,,NADPH,,,35069,bmst000114,1
58,,1,1,1,,1,H75,H,,,4.484,,,,NADPH,,,35069,bmst000114,1
59,,1,1,1,,1,H76,H,,,4.116,,,,NADPH,,,35069,bmst000114,1
60,,1,1,1,,1,H77,H,,,6.254,,,,NADPH,,,35069,bmst000114,1
61,,1,1,1,,1,H78,H,,,4.078,,,,NADPH,,,35069,bmst000114,1
1,,1,1,1,,1,C1,C,,,123.846,,,,niacin,,,35079,bmst000115,1
2,,1,1,1,,1,C2,C,,,137.578,,,,niacin,,,35079,bmst000115,1
3,,1,1,1,,1,C3,C,,,156.461,,,,niacin,,,35079,bmst000115,1
4,,1,1,1,,1,C4,C,,,154.146,,,,niacin,,,35079,bmst000115,1
5,,1,1,1,,1,C5,C,,,125.238,,,,niacin,,,35079,bmst000115,1
6,,1,1,1,,1,C6,C,,,170.482,,,,niacin,,,35079,bmst000115,1
7,,1,1,1,,1,N7,N,,,353.539,,,,niacin,,,35079,bmst000115,1
8,,1,1,1,,1,H10,H,,,8.834,,,,niacin,,,35079,bmst000115,1
9,,1,1,1,,1,H11,H,,,9.875,,,,niacin,,,35079,bmst000115,1
10,,1,1,1,,1,H12,H,,,10.440,,,,niacin,,,35079,bmst000115,1
11,,1,1,1,,1,H13,H,,,11.024,,,,niacin,,,35079,bmst000115,1
12,,1,1,1,,1,H14,H,,,6.807,,,,niacin,,,35079,bmst000115,1
1,,1,1,1,,1,C1,C,,,37.133,,,,nicotine,,,35089,bmst000117,1
2,,1,1,1,,1,C2,C,,,124.597,,,,nicotine,,,35089,bmst000117,1
3,,1,1,1,,1,C3,C,,,134.252,,,,nicotine,,,35089,bmst000117,1
4,,1,1,1,,1,C4,C,,,151.384,,,,nicotine,,,35089,bmst000117,1
5,,1,1,1,,1,C5,C,,,152.236,,,,nicotine,,,35089,bmst000117,1
6,,1,1,1,,1,C6,C,,,21.527,,,,nicotine,,,35089,bmst000117,1
7,,1,1,1,,1,C7,C,,,35.793,,,,nicotine,,,35089,bmst000117,1
8,,1,1,1,,1,C8,C,,,54.866,,,,nicotine,,,35089,bmst000117,1
9,,1,1,1,,1,C9,C,,,140.037,,,,nicotine,,,35089,bmst000117,1
10,,1,1,1,,1,C10,C,,,67.876,,,,nicotine,,,35089,bmst000117,1
11,,1,1,1,,1,N11,N,,,351.723,,,,nicotine,,,35089,bmst000117,1
12,,1,1,1,,1,N12,N,,,64.625,,,,nicotine,,,35089,bmst000117,1
13,,1,1,1,,1,H13,H,,,3.412,,,,nicotine,,,35089,bmst000117,1
14,,1,1,1,,1,H14,H,,,3.446,,,,nicotine,,,35089,bmst000117,1
15,,1,1,1,,1,H15,H,,,2.393,,,,nicotine,,,35089,bmst000117,1
16,,1,1,1,,1,H16,H,,,8.661,,,,nicotine,,,35089,bmst000117,1
17,,1,1,1,,1,H17,H,,,9.522,,,,nicotine,,,35089,bmst000117,1
18,,1,1,1,,1,H18,H,,,10.114,,,,nicotine,,,35089,bmst000117,1
19,,1,1,1,,1,H19,H,,,9.977,,,,nicotine,,,35089,bmst000117,1
20,,1,1,1,,1,H20,H,,,2.646,,,,nicotine,,,35089,bmst000117,1
21,,1,1,1,,1,H21,H,,,3.221,,,,nicotine,,,35089,bmst000117,1
22,,1,1,1,,1,H22,H,,,3.200,,,,nicotine,,,35089,bmst000117,1
23,,1,1,1,,1,H23,H,,,2.853,,,,nicotine,,,35089,bmst000117,1
24,,1,1,1,,1,H24,H,,,4.107,,,,nicotine,,,35089,bmst000117,1
25,,1,1,1,,1,H25,H,,,3.139,,,,nicotine,,,35089,bmst000117,1
26,,1,1,1,,1,H26,H,,,3.744,,,,nicotine,,,35089,bmst000117,1
1,,1,1,1,,1,C1,C,,,177.762,,,,O_succinyl_L_homoserine,,,35099,bmst000119,1
2,,1,1,1,,1,C3,C,,,28.127,,,,O_succinyl_L_homoserine,,,35099,bmst000119,1
3,,1,1,1,,1,C5,C,,,62.635,,,,O_succinyl_L_homoserine,,,35099,bmst000119,1
4,,1,1,1,,1,C6,C,,,26.092,,,,O_succinyl_L_homoserine,,,35099,bmst000119,1
5,,1,1,1,,1,C7,C,,,30.931,,,,O_succinyl_L_homoserine,,,35099,bmst000119,1
6,,1,1,1,,1,C8,C,,,177.175,,,,O_succinyl_L_homoserine,,,35099,bmst000119,1
7,,1,1,1,,1,C9,C,,,50.296,,,,O_succinyl_L_homoserine,,,35099,bmst000119,1
8,,1,1,1,,1,C12,C,,,182.185,,,,O_succinyl_L_homoserine,,,35099,bmst000119,1
9,,1,1,1,,1,N13,N,,,33.726,,,,O_succinyl_L_homoserine,,,35099,bmst000119,1
10,,1,1,1,,1,H16,H,,,3.568,,,,O_succinyl_L_homoserine,,,35099,bmst000119,1
11,,1,1,1,,1,H17,H,,,4.032,,,,O_succinyl_L_homoserine,,,35099,bmst000119,1
12,,1,1,1,,1,H18,H,,,5.846,,,,O_succinyl_L_homoserine,,,35099,bmst000119,1
13,,1,1,1,,1,H19,H,,,5.885,,,,O_succinyl_L_homoserine,,,35099,bmst000119,1
14,,1,1,1,,1,H20,H,,,3.553,,,,O_succinyl_L_homoserine,,,35099,bmst000119,1
15,,1,1,1,,1,H21,H,,,4.174,,,,O_succinyl_L_homoserine,,,35099,bmst000119,1
16,,1,1,1,,1,H22,H,,,3.218,,,,O_succinyl_L_homoserine,,,35099,bmst000119,1
17,,1,1,1,,1,H23,H,,,2.563,,,,O_succinyl_L_homoserine,,,35099,bmst000119,1
18,,1,1,1,,1,H24,H,,,4.214,,,,O_succinyl_L_homoserine,,,35099,bmst000119,1
19,,1,1,1,,1,H25,H,,,6.458,,,,O_succinyl_L_homoserine,,,35099,bmst000119,1
20,,1,1,1,,1,H26,H,,,1.250,,,,O_succinyl_L_homoserine,,,35099,bmst000119,1
21,,1,1,1,,1,H27,H,,,1.621,,,,O_succinyl_L_homoserine,,,35099,bmst000119,1
22,,1,1,1,,1,H28,H,,,6.429,,,,O_succinyl_L_homoserine,,,35099,bmst000119,1
1,,1,1,1,,1,C1,C,,,46.450,,,,prephenic_acid,,,35109,bmst000123,1
2,,1,1,1,,1,C2,C,,,127.753,,,,prephenic_acid,,,35109,bmst000123,1
3,,1,1,1,,1,C3,C,,,136.773,,,,prephenic_acid,,,35109,bmst000123,1
4,,1,1,1,,1,C4,C,,,65.672,,,,prephenic_acid,,,35109,bmst000123,1
5,,1,1,1,,1,C5,C,,,137.808,,,,prephenic_acid,,,35109,bmst000123,1
6,,1,1,1,,1,C6,C,,,127.261,,,,prephenic_acid,,,35109,bmst000123,1
7,,1,1,1,,1,C7,C,,,176.516,,,,prephenic_acid,,,35109,bmst000123,1
8,,1,1,1,,1,C8,C,,,48.281,,,,prephenic_acid,,,35109,bmst000123,1
9,,1,1,1,,1,C9,C,,,197.677,,,,prephenic_acid,,,35109,bmst000123,1
10,,1,1,1,,1,C10,C,,,160.256,,,,prephenic_acid,,,35109,bmst000123,1
11,,1,1,1,,1,H17,H,,,0.269,,,,prephenic_acid,,,35109,bmst000123,1
12,,1,1,1,,1,H18,H,,,7.512,,,,prephenic_acid,,,35109,bmst000123,1
13,,1,1,1,,1,H19,H,,,7.326,,,,prephenic_acid,,,35109,bmst000123,1
14,,1,1,1,,1,H20,H,,,6.137,,,,prephenic_acid,,,35109,bmst000123,1
15,,1,1,1,,1,H21,H,,,7.736,,,,prephenic_acid,,,35109,bmst000123,1
16,,1,1,1,,1,H22,H,,,7.406,,,,prephenic_acid,,,35109,bmst000123,1
17,,1,1,1,,1,H23,H,,,4.687,,,,prephenic_acid,,,35109,bmst000123,1
18,,1,1,1,,1,H24,H,,,4.209,,,,prephenic_acid,,,35109,bmst000123,1
19,,1,1,1,,1,H25,H,,,6.512,,,,prephenic_acid,,,35109,bmst000123,1
20,,1,1,1,,1,H26,H,,,6.902,,,,prephenic_acid,,,35109,bmst000123,1
1,,1,1,1,,1,N1,N,,,37.772,,,,putrescine,,,35119,bmst000125,1
2,,1,1,1,,1,N2,N,,,37.772,,,,putrescine,,,35119,bmst000125,1
3,,1,1,1,,1,C3,C,,,43.957,,,,putrescine,,,35119,bmst000125,1
4,,1,1,1,,1,C4,C,,,43.957,,,,putrescine,,,35119,bmst000125,1
5,,1,1,1,,1,C5,C,,,28.494,,,,putrescine,,,35119,bmst000125,1
6,,1,1,1,,1,C6,C,,,28.494,,,,putrescine,,,35119,bmst000125,1
7,,1,1,1,,1,H7,H,,,0.848,,,,putrescine,,,35119,bmst000125,1
8,,1,1,1,,1,H8,H,,,0.265,,,,putrescine,,,35119,bmst000125,1
9,,1,1,1,,1,H9,H,,,0.848,,,,putrescine,,,35119,bmst000125,1
10,,1,1,1,,1,H10,H,,,0.265,,,,putrescine,,,35119,bmst000125,1
11,,1,1,1,,1,H11,H,,,3.657,,,,putrescine,,,35119,bmst000125,1
12,,1,1,1,,1,H12,H,,,3.609,,,,putrescine,,,35119,bmst000125,1
13,,1,1,1,,1,H13,H,,,3.657,,,,putrescine,,,35119,bmst000125,1
14,,1,1,1,,1,H14,H,,,3.609,,,,putrescine,,,35119,bmst000125,1
15,,1,1,1,,1,H15,H,,,2.623,,,,putrescine,,,35119,bmst000125,1
16,,1,1,1,,1,H16,H,,,2.041,,,,putrescine,,,35119,bmst000125,1
17,,1,1,1,,1,H17,H,,,2.623,,,,putrescine,,,35119,bmst000125,1
18,,1,1,1,,1,H18,H,,,2.041,,,,putrescine,,,35119,bmst000125,1
1,,1,1,1,,1,C1,C,,,19.965,,,,pyridoxal,,,35129,bmst000126,1
2,,1,1,1,,1,C2,C,,,140.031,,,,pyridoxal,,,35129,bmst000126,1
3,,1,1,1,,1,C3,C,,,63.786,,,,pyridoxal,,,35129,bmst000126,1
4,,1,1,1,,1,C4,C,,,207.315,,,,pyridoxal,,,35129,bmst000126,1
5,,1,1,1,,1,C5,C,,,156.814,,,,pyridoxal,,,35129,bmst000126,1
6,,1,1,1,,1,C6,C,,,130.272,,,,pyridoxal,,,35129,bmst000126,1
7,,1,1,1,,1,C7,C,,,121.534,,,,pyridoxal,,,35129,bmst000126,1
8,,1,1,1,,1,C8,C,,,158.711,,,,pyridoxal,,,35129,bmst000126,1
9,,1,1,1,,1,N9,N,,,379.771,,,,pyridoxal,,,35129,bmst000126,1
10,,1,1,1,,1,H13,H,,,3.583,,,,pyridoxal,,,35129,bmst000126,1
11,,1,1,1,,1,H14,H,,,3.985,,,,pyridoxal,,,35129,bmst000126,1
12,,1,1,1,,1,H15,H,,,3.947,,,,pyridoxal,,,35129,bmst000126,1
13,,1,1,1,,1,H16,H,,,9.636,,,,pyridoxal,,,35129,bmst000126,1
14,,1,1,1,,1,H17,H,,,5.746,,,,pyridoxal,,,35129,bmst000126,1
15,,1,1,1,,1,H18,H,,,6.317,,,,pyridoxal,,,35129,bmst000126,1
16,,1,1,1,,1,H19,H,,,12.251,,,,pyridoxal,,,35129,bmst000126,1
17,,1,1,1,,1,H20,H,,,0.646,,,,pyridoxal,,,35129,bmst000126,1
18,,1,1,1,,1,H21,H,,,14.198,,,,pyridoxal,,,35129,bmst000126,1
1,,1,1,1,,1,C1,C,,,20.096,,,,pyridoxal_5_phosphate,,,35139,bmst000127,1
2,,1,1,1,,1,C2,C,,,140.971,,,,pyridoxal_5_phosphate,,,35139,bmst000127,1
3,,1,1,1,,1,C3,C,,,64.508,,,,pyridoxal_5_phosphate,,,35139,bmst000127,1
4,,1,1,1,,1,C4,C,,,206.697,,,,pyridoxal_5_phosphate,,,35139,bmst000127,1
5,,1,1,1,,1,C5,C,,,158.635,,,,pyridoxal_5_phosphate,,,35139,bmst000127,1
6,,1,1,1,,1,C6,C,,,126.610,,,,pyridoxal_5_phosphate,,,35139,bmst000127,1
7,,1,1,1,,1,C7,C,,,121.027,,,,pyridoxal_5_phosphate,,,35139,bmst000127,1
8,,1,1,1,,1,C8,C,,,158.703,,,,pyridoxal_5_phosphate,,,35139,bmst000127,1
9,,1,1,1,,1,N9,N,,,380.039,,,,pyridoxal_5_phosphate,,,35139,bmst000127,1
10,,1,1,1,,1,P16,P,,,6.309,,,,pyridoxal_5_phosphate,,,35139,bmst000127,1
11,,1,1,1,,1,H17,H,,,3.627,,,,pyridoxal_5_phosphate,,,35139,bmst000127,1
12,,1,1,1,,1,H18,H,,,3.985,,,,pyridoxal_5_phosphate,,,35139,bmst000127,1
13,,1,1,1,,1,H19,H,,,4.016,,,,pyridoxal_5_phosphate,,,35139,bmst000127,1
14,,1,1,1,,1,H20,H,,,9.677,,,,pyridoxal_5_phosphate,,,35139,bmst000127,1
15,,1,1,1,,1,H21,H,,,6.017,,,,pyridoxal_5_phosphate,,,35139,bmst000127,1
16,,1,1,1,,1,H22,H,,,6.507,,,,pyridoxal_5_phosphate,,,35139,bmst000127,1
17,,1,1,1,,1,H23,H,,,12.184,,,,pyridoxal_5_phosphate,,,35139,bmst000127,1
18,,1,1,1,,1,H24,H,,,14.316,,,,pyridoxal_5_phosphate,,,35139,bmst000127,1
19,,1,1,1,,1,H25,H,,,4.033,,,,pyridoxal_5_phosphate,,,35139,bmst000127,1
20,,1,1,1,,1,H26,H,,,3.825,,,,pyridoxal_5_phosphate,,,35139,bmst000127,1
1,,1,1,1,,1,C1,C,,,25.486,,,,S_adenosyl_L_methionine,,,35149,bmst000131,1
2,,1,1,1,,1,C2,C,,,160.570,,,,S_adenosyl_L_methionine,,,35149,bmst000131,1
3,,1,1,1,,1,C3,C,,,142.041,,,,S_adenosyl_L_methionine,,,35149,bmst000131,1
4,,1,1,1,,1,C4,C,,,28.788,,,,S_adenosyl_L_methionine,,,35149,bmst000131,1
5,,1,1,1,,1,C5,C,,,44.908,,,,S_adenosyl_L_methionine,,,35149,bmst000131,1
6,,1,1,1,,1,C6,C,,,55.983,,,,S_adenosyl_L_methionine,,,35149,bmst000131,1
7,,1,1,1,,1,C7,C,,,125.086,,,,S_adenosyl_L_methionine,,,35149,bmst000131,1
8,,1,1,1,,1,C8,C,,,160.894,,,,S_adenosyl_L_methionine,,,35149,bmst000131,1
9,,1,1,1,,1,C9,C,,,155.038,,,,S_adenosyl_L_methionine,,,35149,bmst000131,1
10,,1,1,1,,1,C10,C,,,84.476,,,,S_adenosyl_L_methionine,,,35149,bmst000131,1
11,,1,1,1,,1,C11,C,,,79.951,,,,S_adenosyl_L_methionine,,,35149,bmst000131,1
12,,1,1,1,,1,C12,C,,,81.213,,,,S_adenosyl_L_methionine,,,35149,bmst000131,1
13,,1,1,1,,1,C13,C,,,99.825,,,,S_adenosyl_L_methionine,,,35149,bmst000131,1
14,,1,1,1,,1,C14,C,,,57.967,,,,S_adenosyl_L_methionine,,,35149,bmst000131,1
15,,1,1,1,,1,C15,C,,,185.219,,,,S_adenosyl_L_methionine,,,35149,bmst000131,1
16,,1,1,1,,1,N16,N,,,91.977,,,,S_adenosyl_L_methionine,,,35149,bmst000131,1
17,,1,1,1,,1,N17,N,,,34.466,,,,S_adenosyl_L_methionine,,,35149,bmst000131,1
18,,1,1,1,,1,N18,N,,,260.799,,,,S_adenosyl_L_methionine,,,35149,bmst000131,1
19,,1,1,1,,1,N19,N,,,223.198,,,,S_adenosyl_L_methionine,,,35149,bmst000131,1
20,,1,1,1,,1,N20,N,,,271.400,,,,S_adenosyl_L_methionine,,,35149,bmst000131,1
21,,1,1,1,,1,N21,N,,,167.733,,,,S_adenosyl_L_methionine,,,35149,bmst000131,1
3,,1,1,1,,1,C3,C,,,68.633,,,,DL_serine,,,35298,bmst000169,1
22,,1,1,1,,1,H28,H,,,3.816,,,,S_adenosyl_L_methionine,,,35149,bmst000131,1
23,,1,1,1,,1,H29,H,,,3.546,,,,S_adenosyl_L_methionine,,,35149,bmst000131,1
24,,1,1,1,,1,H30,H,,,4.204,,,,S_adenosyl_L_methionine,,,35149,bmst000131,1
25,,1,1,1,,1,H31,H,,,10.062,,,,S_adenosyl_L_methionine,,,35149,bmst000131,1
26,,1,1,1,,1,H32,H,,,8.635,,,,S_adenosyl_L_methionine,,,35149,bmst000131,1
27,,1,1,1,,1,H33,H,,,2.647,,,,S_adenosyl_L_methionine,,,35149,bmst000131,1
28,,1,1,1,,1,H34,H,,,3.890,,,,S_adenosyl_L_methionine,,,35149,bmst000131,1
29,,1,1,1,,1,H35,H,,,3.917,,,,S_adenosyl_L_methionine,,,35149,bmst000131,1
30,,1,1,1,,1,H36,H,,,6.232,,,,S_adenosyl_L_methionine,,,35149,bmst000131,1
31,,1,1,1,,1,H37,H,,,4.256,,,,S_adenosyl_L_methionine,,,35149,bmst000131,1
32,,1,1,1,,1,H38,H,,,4.535,,,,S_adenosyl_L_methionine,,,35149,bmst000131,1
33,,1,1,1,,1,H39,H,,,5.809,,,,S_adenosyl_L_methionine,,,35149,bmst000131,1
34,,1,1,1,,1,H40,H,,,5.278,,,,S_adenosyl_L_methionine,,,35149,bmst000131,1
35,,1,1,1,,1,H41,H,,,5.322,,,,S_adenosyl_L_methionine,,,35149,bmst000131,1
36,,1,1,1,,1,H42,H,,,6.927,,,,S_adenosyl_L_methionine,,,35149,bmst000131,1
37,,1,1,1,,1,H43,H,,,4.583,,,,S_adenosyl_L_methionine,,,35149,bmst000131,1
38,,1,1,1,,1,H44,H,,,6.163,,,,S_adenosyl_L_methionine,,,35149,bmst000131,1
39,,1,1,1,,1,H45,H,,,6.722,,,,S_adenosyl_L_methionine,,,35149,bmst000131,1
40,,1,1,1,,1,H46,H,,,2.549,,,,S_adenosyl_L_methionine,,,35149,bmst000131,1
41,,1,1,1,,1,H47,H,,,1.530,,,,S_adenosyl_L_methionine,,,35149,bmst000131,1
42,,1,1,1,,1,H48,H,,,4.114,,,,S_adenosyl_L_methionine,,,35149,bmst000131,1
43,,1,1,1,,1,H49,H,,,9.296,,,,S_adenosyl_L_methionine,,,35149,bmst000131,1
44,,1,1,1,,1,H50,H,,,7.351,,,,S_adenosyl_L_methionine,,,35149,bmst000131,1
1,,1,1,1,,1,C1,C,,,141.977,,,,xanthine,,,35159,bmst000151,1
2,,1,1,1,,1,C2,C,,,114.066,,,,xanthine,,,35159,bmst000151,1
3,,1,1,1,,1,C3,C,,,152.636,,,,xanthine,,,35159,bmst000151,1
4,,1,1,1,,1,C4,C,,,160.812,,,,xanthine,,,35159,bmst000151,1
5,,1,1,1,,1,C5,C,,,153.032,,,,xanthine,,,35159,bmst000151,1
6,,1,1,1,,1,N6,N,,,154.245,,,,xanthine,,,35159,bmst000151,1
7,,1,1,1,,1,N7,N,,,123.360,,,,xanthine,,,35159,bmst000151,1
8,,1,1,1,,1,N8,N,,,161.331,,,,xanthine,,,35159,bmst000151,1
9,,1,1,1,,1,N9,N,,,262.344,,,,xanthine,,,35159,bmst000151,1
10,,1,1,1,,1,H12,H,,,8.508,,,,xanthine,,,35159,bmst000151,1
11,,1,1,1,,1,H13,H,,,9.425,,,,xanthine,,,35159,bmst000151,1
12,,1,1,1,,1,H14,H,,,7.201,,,,xanthine,,,35159,bmst000151,1
13,,1,1,1,,1,H15,H,,,7.117,,,,xanthine,,,35159,bmst000151,1
1,,1,1,1,,1,C1,C,,,26.948,,,,1_3_dimethylurea,,,35169,bmst000154,1
2,,1,1,1,,1,C2,C,,,159.322,,,,1_3_dimethylurea,,,35169,bmst000154,1
3,,1,1,1,,1,C3,C,,,26.916,,,,1_3_dimethylurea,,,35169,bmst000154,1
4,,1,1,1,,1,N4,N,,,78.600,,,,1_3_dimethylurea,,,35169,bmst000154,1
5,,1,1,1,,1,N6,N,,,78.589,,,,1_3_dimethylurea,,,35169,bmst000154,1
6,,1,1,1,,1,H7,H,,,3.412,,,,1_3_dimethylurea,,,35169,bmst000154,1
7,,1,1,1,,1,H8,H,,,3.293,,,,1_3_dimethylurea,,,35169,bmst000154,1
8,,1,1,1,,1,H9,H,,,5.052,,,,1_3_dimethylurea,,,35169,bmst000154,1
9,,1,1,1,,1,H10,H,,,3.412,,,,1_3_dimethylurea,,,35169,bmst000154,1
10,,1,1,1,,1,H11,H,,,3.295,,,,1_3_dimethylurea,,,35169,bmst000154,1
11,,1,1,1,,1,H12,H,,,5.058,,,,1_3_dimethylurea,,,35169,bmst000154,1
12,,1,1,1,,1,H13,H,,,3.039,,,,1_3_dimethylurea,,,35169,bmst000154,1
13,,1,1,1,,1,H14,H,,,3.050,,,,1_3_dimethylurea,,,35169,bmst000154,1
1,,1,1,1,,1,C1,C,,,16.125,,,,2_amino_5_ethyl_1_3_4_thiadiazole,,,35179,bmst000156,1
2,,1,1,1,,1,C2,C,,,26.400,,,,2_amino_5_ethyl_1_3_4_thiadiazole,,,35179,bmst000156,1
3,,1,1,1,,1,C3,C,,,170.202,,,,2_amino_5_ethyl_1_3_4_thiadiazole,,,35179,bmst000156,1
4,,1,1,1,,1,C4,C,,,176.391,,,,2_amino_5_ethyl_1_3_4_thiadiazole,,,35179,bmst000156,1
5,,1,1,1,,1,N5,N,,,69.345,,,,2_amino_5_ethyl_1_3_4_thiadiazole,,,35179,bmst000156,1
6,,1,1,1,,1,N6,N,,,397.814,,,,2_amino_5_ethyl_1_3_4_thiadiazole,,,35179,bmst000156,1
7,,1,1,1,,1,N7,N,,,341.672,,,,2_amino_5_ethyl_1_3_4_thiadiazole,,,35179,bmst000156,1
8,,1,1,1,,1,H9,H,,,2.362,,,,2_amino_5_ethyl_1_3_4_thiadiazole,,,35179,bmst000156,1
9,,1,1,1,,1,H10,H,,,2.488,,,,2_amino_5_ethyl_1_3_4_thiadiazole,,,35179,bmst000156,1
10,,1,1,1,,1,H11,H,,,2.408,,,,2_amino_5_ethyl_1_3_4_thiadiazole,,,35179,bmst000156,1
11,,1,1,1,,1,H12,H,,,4.193,,,,2_amino_5_ethyl_1_3_4_thiadiazole,,,35179,bmst000156,1
12,,1,1,1,,1,H13,H,,,3.897,,,,2_amino_5_ethyl_1_3_4_thiadiazole,,,35179,bmst000156,1
13,,1,1,1,,1,H14,H,,,5.125,,,,2_amino_5_ethyl_1_3_4_thiadiazole,,,35179,bmst000156,1
14,,1,1,1,,1,H15,H,,,4.443,,,,2_amino_5_ethyl_1_3_4_thiadiazole,,,35179,bmst000156,1
1,,,1,1,,2_deoxyguanosine_5_triphosphate,P1,P,,,-3.138,,,,2_deoxyguanosine_5_triphosphate,,,35188,bmst000158,1
2,,,1,1,,2_deoxyguanosine_5_triphosphate,P2,P,,,-0.935,,,,2_deoxyguanosine_5_triphosphate,,,35188,bmst000158,1
3,,,1,1,,2_deoxyguanosine_5_triphosphate,P3,P,,,5.477,,,,2_deoxyguanosine_5_triphosphate,,,35188,bmst000158,1
4,,,1,1,,2_deoxyguanosine_5_triphosphate,N17,N,,,76.523,,,,2_deoxyguanosine_5_triphosphate,,,35188,bmst000158,1
5,,,1,1,,2_deoxyguanosine_5_triphosphate,N18,N,,,162.240,,,,2_deoxyguanosine_5_triphosphate,,,35188,bmst000158,1
6,,,1,1,,2_deoxyguanosine_5_triphosphate,N19,N,,,106.464,,,,2_deoxyguanosine_5_triphosphate,,,35188,bmst000158,1
7,,,1,1,,2_deoxyguanosine_5_triphosphate,N20,N,,,243.250,,,,2_deoxyguanosine_5_triphosphate,,,35188,bmst000158,1
8,,,1,1,,2_deoxyguanosine_5_triphosphate,N21,N,,,293.566,,,,2_deoxyguanosine_5_triphosphate,,,35188,bmst000158,1
9,,,1,1,,2_deoxyguanosine_5_triphosphate,C22,C,,,69.191,,,,2_deoxyguanosine_5_triphosphate,,,35188,bmst000158,1
10,,,1,1,,2_deoxyguanosine_5_triphosphate,C23,C,,,92.509,,,,2_deoxyguanosine_5_triphosphate,,,35188,bmst000158,1
11,,,1,1,,2_deoxyguanosine_5_triphosphate,C24,C,,,87.451,,,,2_deoxyguanosine_5_triphosphate,,,35188,bmst000158,1
12,,,1,1,,2_deoxyguanosine_5_triphosphate,C25,C,,,74.056,,,,2_deoxyguanosine_5_triphosphate,,,35188,bmst000158,1
13,,,1,1,,2_deoxyguanosine_5_triphosphate,C26,C,,,40.785,,,,2_deoxyguanosine_5_triphosphate,,,35188,bmst000158,1
14,,,1,1,,2_deoxyguanosine_5_triphosphate,C27,C,,,145.488,,,,2_deoxyguanosine_5_triphosphate,,,35188,bmst000158,1
15,,,1,1,,2_deoxyguanosine_5_triphosphate,C28,C,,,135.176,,,,2_deoxyguanosine_5_triphosphate,,,35188,bmst000158,1
16,,,1,1,,2_deoxyguanosine_5_triphosphate,C29,C,,,161.794,,,,2_deoxyguanosine_5_triphosphate,,,35188,bmst000158,1
17,,,1,1,,2_deoxyguanosine_5_triphosphate,C30,C,,,124.449,,,,2_deoxyguanosine_5_triphosphate,,,35188,bmst000158,1
18,,,1,1,,2_deoxyguanosine_5_triphosphate,C31,C,,,127.486,,,,2_deoxyguanosine_5_triphosphate,,,35188,bmst000158,1
19,,,1,1,,2_deoxyguanosine_5_triphosphate,H32,H,,,8.002,,,,2_deoxyguanosine_5_triphosphate,,,35188,bmst000158,1
20,,,1,1,,2_deoxyguanosine_5_triphosphate,H33,H,,,8.278,,,,2_deoxyguanosine_5_triphosphate,,,35188,bmst000158,1
21,,,1,1,,2_deoxyguanosine_5_triphosphate,H34,H,,,4.941,,,,2_deoxyguanosine_5_triphosphate,,,35188,bmst000158,1
22,,,1,1,,2_deoxyguanosine_5_triphosphate,H35,H,,,6.521,,,,2_deoxyguanosine_5_triphosphate,,,35188,bmst000158,1
23,,,1,1,,2_deoxyguanosine_5_triphosphate,H36,H,,,0.618,,,,2_deoxyguanosine_5_triphosphate,,,35188,bmst000158,1
24,,,1,1,,2_deoxyguanosine_5_triphosphate,H37,H,,,4.897,,,,2_deoxyguanosine_5_triphosphate,,,35188,bmst000158,1
25,,,1,1,,2_deoxyguanosine_5_triphosphate,H38,H,,,4.259,,,,2_deoxyguanosine_5_triphosphate,,,35188,bmst000158,1
26,,,1,1,,2_deoxyguanosine_5_triphosphate,H39,H,,,8.731,,,,2_deoxyguanosine_5_triphosphate,,,35188,bmst000158,1
27,,,1,1,,2_deoxyguanosine_5_triphosphate,H40,H,,,5.645,,,,2_deoxyguanosine_5_triphosphate,,,35188,bmst000158,1
28,,,1,1,,2_deoxyguanosine_5_triphosphate,H41,H,,,5.204,,,,2_deoxyguanosine_5_triphosphate,,,35188,bmst000158,1
29,,,1,1,,2_deoxyguanosine_5_triphosphate,H42,H,,,7.663,,,,2_deoxyguanosine_5_triphosphate,,,35188,bmst000158,1
30,,,1,1,,2_deoxyguanosine_5_triphosphate,H43,H,,,5.148,,,,2_deoxyguanosine_5_triphosphate,,,35188,bmst000158,1
31,,,1,1,,2_deoxyguanosine_5_triphosphate,H44,H,,,4.966,,,,2_deoxyguanosine_5_triphosphate,,,35188,bmst000158,1
32,,,1,1,,2_deoxyguanosine_5_triphosphate,H45,H,,,3.712,,,,2_deoxyguanosine_5_triphosphate,,,35188,bmst000158,1
33,,,1,1,,2_deoxyguanosine_5_triphosphate,H46,H,,,2.839,,,,2_deoxyguanosine_5_triphosphate,,,35188,bmst000158,1
34,,,1,1,,2_deoxyguanosine_5_triphosphate,H47,H,,,8.060,,,,2_deoxyguanosine_5_triphosphate,,,35188,bmst000158,1
1,,1,1,1,,1,C1,C,,,69.149,,,,3_hydroxybutyrate,,,35198,bmst000159,1
2,,1,1,1,,1,C2,C,,,42.479,,,,3_hydroxybutyrate,,,35198,bmst000159,1
3,,1,1,1,,1,C3,C,,,184.838,,,,3_hydroxybutyrate,,,35198,bmst000159,1
4,,1,1,1,,1,C6,C,,,23.749,,,,3_hydroxybutyrate,,,35198,bmst000159,1
5,,1,1,1,,1,H8,H,,,5.499,,,,3_hydroxybutyrate,,,35198,bmst000159,1
6,,1,1,1,,1,H9,H,,,3.199,,,,3_hydroxybutyrate,,,35198,bmst000159,1
7,,1,1,1,,1,H10,H,,,3.675,,,,3_hydroxybutyrate,,,35198,bmst000159,1
8,,1,1,1,,1,H11,H,,,6.480,,,,3_hydroxybutyrate,,,35198,bmst000159,1
9,,1,1,1,,1,H12,H,,,2.142,,,,3_hydroxybutyrate,,,35198,bmst000159,1
10,,1,1,1,,1,H13,H,,,2.128,,,,3_hydroxybutyrate,,,35198,bmst000159,1
11,,1,1,1,,1,H14,H,,,2.435,,,,3_hydroxybutyrate,,,35198,bmst000159,1
12,,1,1,1,,1,H15,H,,,0.228,,,,3_hydroxybutyrate,,,35198,bmst000159,1
1,,1,1,1,,1,N2,N,,,30.125,,,,4_2_aminoethyl_morpholine_cid,,,35208,bmst000160,1
2,,1,1,1,,1,N3,N,,,46.104,,,,4_2_aminoethyl_morpholine_cid,,,35208,bmst000160,1
3,,1,1,1,,1,C4,C,,,43.018,,,,4_2_aminoethyl_morpholine_cid,,,35208,bmst000160,1
4,,1,1,1,,1,C5,C,,,62.768,,,,4_2_aminoethyl_morpholine_cid,,,35208,bmst000160,1
5,,1,1,1,,1,C6,C,,,68.585,,,,4_2_aminoethyl_morpholine_cid,,,35208,bmst000160,1
6,,1,1,1,,1,C7,C,,,67.879,,,,4_2_aminoethyl_morpholine_cid,,,35208,bmst000160,1
7,,1,1,1,,1,C8,C,,,54.494,,,,4_2_aminoethyl_morpholine_cid,,,35208,bmst000160,1
8,,1,1,1,,1,C9,C,,,51.714,,,,4_2_aminoethyl_morpholine_cid,,,35208,bmst000160,1
9,,1,1,1,,1,H10,H,,,0.035,,,,4_2_aminoethyl_morpholine_cid,,,35208,bmst000160,1
10,,1,1,1,,1,H11,H,,,0.730,,,,4_2_aminoethyl_morpholine_cid,,,35208,bmst000160,1
11,,1,1,1,,1,H12,H,,,3.869,,,,4_2_aminoethyl_morpholine_cid,,,35208,bmst000160,1
12,,1,1,1,,1,H13,H,,,3.743,,,,4_2_aminoethyl_morpholine_cid,,,35208,bmst000160,1
13,,1,1,1,,1,H14,H,,,3.556,,,,4_2_aminoethyl_morpholine_cid,,,35208,bmst000160,1
14,,1,1,1,,1,H15,H,,,2.760,,,,4_2_aminoethyl_morpholine_cid,,,35208,bmst000160,1
15,,1,1,1,,1,H16,H,,,4.829,,,,4_2_aminoethyl_morpholine_cid,,,35208,bmst000160,1
16,,1,1,1,,1,H17,H,,,4.478,,,,4_2_aminoethyl_morpholine_cid,,,35208,bmst000160,1
17,,1,1,1,,1,H18,H,,,4.777,,,,4_2_aminoethyl_morpholine_cid,,,35208,bmst000160,1
18,,1,1,1,,1,H19,H,,,4.358,,,,4_2_aminoethyl_morpholine_cid,,,35208,bmst000160,1
19,,1,1,1,,1,H20,H,,,3.151,,,,4_2_aminoethyl_morpholine_cid,,,35208,bmst000160,1
20,,1,1,1,,1,H21,H,,,3.108,,,,4_2_aminoethyl_morpholine_cid,,,35208,bmst000160,1
21,,1,1,1,,1,H22,H,,,3.313,,,,4_2_aminoethyl_morpholine_cid,,,35208,bmst000160,1
22,,1,1,1,,1,H23,H,,,2.671,,,,4_2_aminoethyl_morpholine_cid,,,35208,bmst000160,1
1,,1,1,1,,1,H1,H,,,8.329,,,,4_aminoantipyrine,,,35218,bmst000161,1
2,,1,1,1,,1,H2,H,,,8.559,,,,4_aminoantipyrine,,,35218,bmst000161,1
3,,1,1,1,,1,H3,H,,,8.543,,,,4_aminoantipyrine,,,35218,bmst000161,1
4,,1,1,1,,1,H4,H,,,8.546,,,,4_aminoantipyrine,,,35218,bmst000161,1
5,,1,1,1,,1,H5,H,,,9.395,,,,4_aminoantipyrine,,,35218,bmst000161,1
6,,1,1,1,,1,H6,H,,,3.114,,,,4_aminoantipyrine,,,35218,bmst000161,1
7,,1,1,1,,1,H7,H,,,3.435,,,,4_aminoantipyrine,,,35218,bmst000161,1
8,,1,1,1,,1,H8,H,,,2.866,,,,4_aminoantipyrine,,,35218,bmst000161,1
9,,1,1,1,,1,H9,H,,,3.046,,,,4_aminoantipyrine,,,35218,bmst000161,1
10,,1,1,1,,1,H10,H,,,4.046,,,,4_aminoantipyrine,,,35218,bmst000161,1
11,,1,1,1,,1,H11,H,,,4.572,,,,4_aminoantipyrine,,,35218,bmst000161,1
12,,1,1,1,,1,H12,H,,,3.635,,,,4_aminoantipyrine,,,35218,bmst000161,1
13,,1,1,1,,1,H13,H,,,2.297,,,,4_aminoantipyrine,,,35218,bmst000161,1
14,,1,1,1,,1,C14,C,,,130.326,,,,4_aminoantipyrine,,,35218,bmst000161,1
15,,1,1,1,,1,C15,C,,,135.173,,,,4_aminoantipyrine,,,35218,bmst000161,1
16,,1,1,1,,1,C16,C,,,135.882,,,,4_aminoantipyrine,,,35218,bmst000161,1
17,,1,1,1,,1,C17,C,,,124.826,,,,4_aminoantipyrine,,,35218,bmst000161,1
18,,1,1,1,,1,C18,C,,,128.334,,,,4_aminoantipyrine,,,35218,bmst000161,1
19,,1,1,1,,1,C19,C,,,144.319,,,,4_aminoantipyrine,,,35218,bmst000161,1
20,,1,1,1,,1,C20,C,,,129.336,,,,4_aminoantipyrine,,,35218,bmst000161,1
21,,1,1,1,,1,C21,C,,,140.406,,,,4_aminoantipyrine,,,35218,bmst000161,1
22,,1,1,1,,1,C22,C,,,169.976,,,,4_aminoantipyrine,,,35218,bmst000161,1
23,,1,1,1,,1,C23,C,,,11.103,,,,4_aminoantipyrine,,,35218,bmst000161,1
24,,1,1,1,,1,C24,C,,,39.967,,,,4_aminoantipyrine,,,35218,bmst000161,1
25,,1,1,1,,1,N25,N,,,185.847,,,,4_aminoantipyrine,,,35218,bmst000161,1
26,,1,1,1,,1,N26,N,,,126.688,,,,4_aminoantipyrine,,,35218,bmst000161,1
27,,1,1,1,,1,N27,N,,,39.980,,,,4_aminoantipyrine,,,35218,bmst000161,1
1,,1,1,1,,1,H1,H,,,9.221,,,,4_aminobenzoic_acid,,,35228,bmst000162,1
2,,1,1,1,,1,H2,H,,,9.434,,,,4_aminobenzoic_acid,,,35228,bmst000162,1
3,,1,1,1,,1,H3,H,,,7.553,,,,4_aminobenzoic_acid,,,35228,bmst000162,1
4,,1,1,1,,1,H4,H,,,7.646,,,,4_aminobenzoic_acid,,,35228,bmst000162,1
5,,1,1,1,,1,H5,H,,,3.943,,,,4_aminobenzoic_acid,,,35228,bmst000162,1
6,,1,1,1,,1,H6,H,,,3.948,,,,4_aminobenzoic_acid,,,35228,bmst000162,1
7,,1,1,1,,1,H7,H,,,6.143,,,,4_aminobenzoic_acid,,,35228,bmst000162,1
8,,1,1,1,,1,C8,C,,,139.275,,,,4_aminobenzoic_acid,,,35228,bmst000162,1
9,,1,1,1,,1,C9,C,,,140.691,,,,4_aminobenzoic_acid,,,35228,bmst000162,1
10,,1,1,1,,1,C10,C,,,117.551,,,,4_aminobenzoic_acid,,,35228,bmst000162,1
11,,1,1,1,,1,C11,C,,,118.072,,,,4_aminobenzoic_acid,,,35228,bmst000162,1
12,,1,1,1,,1,C12,C,,,124.893,,,,4_aminobenzoic_acid,,,35228,bmst000162,1
13,,1,1,1,,1,C13,C,,,156.784,,,,4_aminobenzoic_acid,,,35228,bmst000162,1
14,,1,1,1,,1,C14,C,,,177.438,,,,4_aminobenzoic_acid,,,35228,bmst000162,1
15,,1,1,1,,1,N15,N,,,79.116,,,,4_aminobenzoic_acid,,,35228,bmst000162,1
1,,1,1,1,,1,C1,C,,,137.721,,,,4_hydroxyphenethyl_alcohol,,,35238,bmst000163,1
2,,1,1,1,,1,C2,C,,,138.892,,,,4_hydroxyphenethyl_alcohol,,,35238,bmst000163,1
3,,1,1,1,,1,C3,C,,,119.370,,,,4_hydroxyphenethyl_alcohol,,,35238,bmst000163,1
4,,1,1,1,,1,C4,C,,,121.802,,,,4_hydroxyphenethyl_alcohol,,,35238,bmst000163,1
5,,1,1,1,,1,C5,C,,,39.905,,,,4_hydroxyphenethyl_alcohol,,,35238,bmst000163,1
6,,1,1,1,,1,C6,C,,,70.327,,,,4_hydroxyphenethyl_alcohol,,,35238,bmst000163,1
7,,1,1,1,,1,C7,C,,,134.769,,,,4_hydroxyphenethyl_alcohol,,,35238,bmst000163,1
8,,1,1,1,,1,C8,C,,,164.855,,,,4_hydroxyphenethyl_alcohol,,,35238,bmst000163,1
9,,1,1,1,,1,H11,H,,,8.292,,,,4_hydroxyphenethyl_alcohol,,,35238,bmst000163,1
10,,1,1,1,,1,H12,H,,,8.429,,,,4_hydroxyphenethyl_alcohol,,,35238,bmst000163,1
11,,1,1,1,,1,H13,H,,,7.340,,,,4_hydroxyphenethyl_alcohol,,,35238,bmst000163,1
12,,1,1,1,,1,H14,H,,,8.016,,,,4_hydroxyphenethyl_alcohol,,,35238,bmst000163,1
13,,1,1,1,,1,H15,H,,,3.813,,,,4_hydroxyphenethyl_alcohol,,,35238,bmst000163,1
14,,1,1,1,,1,H16,H,,,3.864,,,,4_hydroxyphenethyl_alcohol,,,35238,bmst000163,1
15,,1,1,1,,1,H17,H,,,4.690,,,,4_hydroxyphenethyl_alcohol,,,35238,bmst000163,1
16,,1,1,1,,1,H18,H,,,4.718,,,,4_hydroxyphenethyl_alcohol,,,35238,bmst000163,1
17,,1,1,1,,1,H19,H,,,0.165,,,,4_hydroxyphenethyl_alcohol,,,35238,bmst000163,1
18,,1,1,1,,1,H20,H,,,4.279,,,,4_hydroxyphenethyl_alcohol,,,35238,bmst000163,1
1,,1,1,1,,1,C1,C,,,25.758,,,,5_acetylamido_2_chloroaniline,,,35248,bmst000164,1
2,,1,1,1,,1,C2,C,,,110.681,,,,5_acetylamido_2_chloroaniline,,,35248,bmst000164,1
3,,1,1,1,,1,C3,C,,,136.340,,,,5_acetylamido_2_chloroaniline,,,35248,bmst000164,1
4,,1,1,1,,1,C4,C,,,108.434,,,,5_acetylamido_2_chloroaniline,,,35248,bmst000164,1
5,,1,1,1,,1,C5,C,,,145.713,,,,5_acetylamido_2_chloroaniline,,,35248,bmst000164,1
6,,1,1,1,,1,C6,C,,,120.685,,,,5_acetylamido_2_chloroaniline,,,35248,bmst000164,1
7,,1,1,1,,1,C7,C,,,151.001,,,,5_acetylamido_2_chloroaniline,,,35248,bmst000164,1
8,,1,1,1,,1,C8,C,,,174.034,,,,5_acetylamido_2_chloroaniline,,,35248,bmst000164,1
9,,1,1,1,,1,N9,N,,,74.657,,,,5_acetylamido_2_chloroaniline,,,35248,bmst000164,1
10,,1,1,1,,1,N10,N,,,147.752,,,,5_acetylamido_2_chloroaniline,,,35248,bmst000164,1
11,,1,1,1,,1,H13,H,,,3.656,,,,5_acetylamido_2_chloroaniline,,,35248,bmst000164,1
12,,1,1,1,,1,H14,H,,,3.556,,,,5_acetylamido_2_chloroaniline,,,35248,bmst000164,1
13,,1,1,1,,1,H15,H,,,2.610,,,,5_acetylamido_2_chloroaniline,,,35248,bmst000164,1
14,,1,1,1,,1,H16,H,,,6.896,,,,5_acetylamido_2_chloroaniline,,,35248,bmst000164,1
15,,1,1,1,,1,H17,H,,,7.995,,,,5_acetylamido_2_chloroaniline,,,35248,bmst000164,1
16,,1,1,1,,1,H18,H,,,9.624,,,,5_acetylamido_2_chloroaniline,,,35248,bmst000164,1
17,,1,1,1,,1,H19,H,,,3.756,,,,5_acetylamido_2_chloroaniline,,,35248,bmst000164,1
18,,1,1,1,,1,H20,H,,,4.418,,,,5_acetylamido_2_chloroaniline,,,35248,bmst000164,1
19,,1,1,1,,1,H21,H,,,6.771,,,,5_acetylamido_2_chloroaniline,,,35248,bmst000164,1
1,,1,1,1,,1,C1,C,,,183.554,,,,6_phosphogluconic_acid,,,35258,bmst000165,1
2,,1,1,1,,1,C2,C,,,80.518,,,,6_phosphogluconic_acid,,,35258,bmst000165,1
3,,1,1,1,,1,C3,C,,,71.264,,,,6_phosphogluconic_acid,,,35258,bmst000165,1
4,,1,1,1,,1,C4,C,,,77.881,,,,6_phosphogluconic_acid,,,35258,bmst000165,1
5,,1,1,1,,1,C5,C,,,75.220,,,,6_phosphogluconic_acid,,,35258,bmst000165,1
6,,1,1,1,,1,C6,C,,,78.274,,,,6_phosphogluconic_acid,,,35258,bmst000165,1
7,,1,1,1,,1,P14,P,,,-0.924,,,,6_phosphogluconic_acid,,,35258,bmst000165,1
8,,1,1,1,,1,H18,H,,,5.171,,,,6_phosphogluconic_acid,,,35258,bmst000165,1
9,,1,1,1,,1,H19,H,,,5.626,,,,6_phosphogluconic_acid,,,35258,bmst000165,1
10,,1,1,1,,1,H20,H,,,4.245,,,,6_phosphogluconic_acid,,,35258,bmst000165,1
11,,1,1,1,,1,H21,H,,,4.921,,,,6_phosphogluconic_acid,,,35258,bmst000165,1
12,,1,1,1,,1,H22,H,,,5.253,,,,6_phosphogluconic_acid,,,35258,bmst000165,1
13,,1,1,1,,1,H23,H,,,5.677,,,,6_phosphogluconic_acid,,,35258,bmst000165,1
14,,1,1,1,,1,H24,H,,,6.681,,,,6_phosphogluconic_acid,,,35258,bmst000165,1
15,,1,1,1,,1,H25,H,,,2.589,,,,6_phosphogluconic_acid,,,35258,bmst000165,1
16,,1,1,1,,1,H26,H,,,3.559,,,,6_phosphogluconic_acid,,,35258,bmst000165,1
17,,1,1,1,,1,H27,H,,,1.928,,,,6_phosphogluconic_acid,,,35258,bmst000165,1
18,,1,1,1,,1,H28,H,,,2.356,,,,6_phosphogluconic_acid,,,35258,bmst000165,1
19,,1,1,1,,1,H29,H,,,3.686,,,,6_phosphogluconic_acid,,,35258,bmst000165,1
20,,1,1,1,,1,H30,H,,,3.554,,,,6_phosphogluconic_acid,,,35258,bmst000165,1
1,,1,1,1,,1,N1,N,,,42.525,,,,ADA,,,35268,bmst000166,1
2,,1,1,1,,1,C2,C,,,59.638,,,,ADA,,,35268,bmst000166,1
3,,1,1,1,,1,C3,C,,,182.952,,,,ADA,,,35268,bmst000166,1
4,,1,1,1,,1,C6,C,,,59.762,,,,ADA,,,35268,bmst000166,1
5,,1,1,1,,1,C7,C,,,183.733,,,,ADA,,,35268,bmst000166,1
6,,1,1,1,,1,C10,C,,,60.967,,,,ADA,,,35268,bmst000166,1
7,,1,1,1,,1,C11,C,,,174.592,,,,ADA,,,35268,bmst000166,1
8,,1,1,1,,1,N13,N,,,106.557,,,,ADA,,,35268,bmst000166,1
9,,1,1,1,,1,H14,H,,,4.182,,,,ADA,,,35268,bmst000166,1
10,,1,1,1,,1,H15,H,,,4.483,,,,ADA,,,35268,bmst000166,1
11,,1,1,1,,1,H16,H,,,6.673,,,,ADA,,,35268,bmst000166,1
12,,1,1,1,,1,H17,H,,,4.009,,,,ADA,,,35268,bmst000166,1
13,,1,1,1,,1,H18,H,,,4.752,,,,ADA,,,35268,bmst000166,1
14,,1,1,1,,1,H19,H,,,6.677,,,,ADA,,,35268,bmst000166,1
15,,1,1,1,,1,H20,H,,,3.703,,,,ADA,,,35268,bmst000166,1
16,,1,1,1,,1,H21,H,,,4.180,,,,ADA,,,35268,bmst000166,1
17,,1,1,1,,1,H22,H,,,5.093,,,,ADA,,,35268,bmst000166,1
18,,1,1,1,,1,H23,H,,,8.653,,,,ADA,,,35268,bmst000166,1
1,,1,1,1,,1,P1,P,,,-0.856,,,,DL_alpha_glycerol_phosphate,,,35278,bmst000167,1
2,,1,1,1,,1,C4,C,,,74.149,,,,DL_alpha_glycerol_phosphate,,,35278,bmst000167,1
3,,1,1,1,,1,C7,C,,,74.944,,,,DL_alpha_glycerol_phosphate,,,35278,bmst000167,1
4,,1,1,1,,1,C10,C,,,68.226,,,,DL_alpha_glycerol_phosphate,,,35278,bmst000167,1
5,,1,1,1,,1,H11,H,,,5.009,,,,DL_alpha_glycerol_phosphate,,,35278,bmst000167,1
6,,1,1,1,,1,H12,H,,,4.756,,,,DL_alpha_glycerol_phosphate,,,35278,bmst000167,1
7,,1,1,1,,1,H13,H,,,3.683,,,,DL_alpha_glycerol_phosphate,,,35278,bmst000167,1
8,,1,1,1,,1,H14,H,,,3.493,,,,DL_alpha_glycerol_phosphate,,,35278,bmst000167,1
9,,1,1,1,,1,H15,H,,,5.314,,,,DL_alpha_glycerol_phosphate,,,35278,bmst000167,1
10,,1,1,1,,1,H16,H,,,2.094,,,,DL_alpha_glycerol_phosphate,,,35278,bmst000167,1
11,,1,1,1,,1,H17,H,,,0.043,,,,DL_alpha_glycerol_phosphate,,,35278,bmst000167,1
12,,1,1,1,,1,H18,H,,,4.507,,,,DL_alpha_glycerol_phosphate,,,35278,bmst000167,1
13,,1,1,1,,1,H19,H,,,4.739,,,,DL_alpha_glycerol_phosphate,,,35278,bmst000167,1
1,,1,1,1,,1,C1,C,,,184.888,,,,DL_pipecolic_acid,,,35288,bmst000168,1
2,,1,1,1,,1,C2,C,,,48.635,,,,DL_pipecolic_acid,,,35288,bmst000168,1
3,,1,1,1,,1,C3,C,,,23.935,,,,DL_pipecolic_acid,,,35288,bmst000168,1
4,,1,1,1,,1,C4,C,,,23.395,,,,DL_pipecolic_acid,,,35288,bmst000168,1
5,,1,1,1,,1,C5,C,,,26.424,,,,DL_pipecolic_acid,,,35288,bmst000168,1
6,,1,1,1,,1,C6,C,,,60.445,,,,DL_pipecolic_acid,,,35288,bmst000168,1
7,,1,1,1,,1,N8,N,,,50.277,,,,DL_pipecolic_acid,,,35288,bmst000168,1
8,,1,1,1,,1,H10,H,,,4.021,,,,DL_pipecolic_acid,,,35288,bmst000168,1
9,,1,1,1,,1,H11,H,,,3.360,,,,DL_pipecolic_acid,,,35288,bmst000168,1
10,,1,1,1,,1,H12,H,,,2.535,,,,DL_pipecolic_acid,,,35288,bmst000168,1
11,,1,1,1,,1,H13,H,,,2.161,,,,DL_pipecolic_acid,,,35288,bmst000168,1
12,,1,1,1,,1,H14,H,,,2.681,,,,DL_pipecolic_acid,,,35288,bmst000168,1
13,,1,1,1,,1,H15,H,,,2.096,,,,DL_pipecolic_acid,,,35288,bmst000168,1
14,,1,1,1,,1,H16,H,,,2.759,,,,DL_pipecolic_acid,,,35288,bmst000168,1
15,,1,1,1,,1,H17,H,,,2.610,,,,DL_pipecolic_acid,,,35288,bmst000168,1
16,,1,1,1,,1,H18,H,,,3.893,,,,DL_pipecolic_acid,,,35288,bmst000168,1
17,,1,1,1,,1,H19,H,,,6.347,,,,DL_pipecolic_acid,,,35288,bmst000168,1
18,,1,1,1,,1,H20,H,,,1.568,,,,DL_pipecolic_acid,,,35288,bmst000168,1
1,,1,1,1,,1,C1,C,,,58.755,,,,DL_serine,,,35298,bmst000169,1
2,,1,1,1,,1,C2,C,,,184.336,,,,DL_serine,,,35298,bmst000169,1
4,,1,1,1,,1,N4,N,,,31.153,,,,DL_serine,,,35298,bmst000169,1
5,,1,1,1,,1,H8,H,,,4.896,,,,DL_serine,,,35298,bmst000169,1
6,,1,1,1,,1,H9,H,,,5.208,,,,DL_serine,,,35298,bmst000169,1
7,,1,1,1,,1,H10,H,,,4.977,,,,DL_serine,,,35298,bmst000169,1
8,,1,1,1,,1,H11,H,,,1.909,,,,DL_serine,,,35298,bmst000169,1
9,,1,1,1,,1,H12,H,,,1.256,,,,DL_serine,,,35298,bmst000169,1
10,,1,1,1,,1,H13,H,,,6.428,,,,DL_serine,,,35298,bmst000169,1
11,,1,1,1,,1,H14,H,,,0.249,,,,DL_serine,,,35298,bmst000169,1
1,,1,1,1,,1,C2,C,,,182.989,,,,D_3_phosphoglyceric_acid,,,35308,bmst000170,1
2,,1,1,1,,1,C4,C,,,75.090,,,,D_3_phosphoglyceric_acid,,,35308,bmst000170,1
3,,1,1,1,,1,C6,C,,,69.160,,,,D_3_phosphoglyceric_acid,,,35308,bmst000170,1
4,,1,1,1,,1,P8,P,,,2.551,,,,D_3_phosphoglyceric_acid,,,35308,bmst000170,1
5,,1,1,1,,1,H12,H,,,6.880,,,,D_3_phosphoglyceric_acid,,,35308,bmst000170,1
6,,1,1,1,,1,H13,H,,,5.198,,,,D_3_phosphoglyceric_acid,,,35308,bmst000170,1
7,,1,1,1,,1,H14,H,,,4.006,,,,D_3_phosphoglyceric_acid,,,35308,bmst000170,1
8,,1,1,1,,1,H15,H,,,4.770,,,,D_3_phosphoglyceric_acid,,,35308,bmst000170,1
9,,1,1,1,,1,H16,H,,,5.072,,,,D_3_phosphoglyceric_acid,,,35308,bmst000170,1
10,,1,1,1,,1,H17,H,,,7.892,,,,D_3_phosphoglyceric_acid,,,35308,bmst000170,1
11,,1,1,1,,1,H18,H,,,3.716,,,,D_3_phosphoglyceric_acid,,,35308,bmst000170,1
1,,1,1,1,,1,C2,C,,,219.894,,,,D_L_glyceraldehyde,,,35318,bmst000171,1
2,,1,1,1,,1,C3,C,,,85.050,,,,D_L_glyceraldehyde,,,35318,bmst000171,1
3,,1,1,1,,1,C6,C,,,68.364,,,,D_L_glyceraldehyde,,,35318,bmst000171,1
4,,1,1,1,,1,H7,H,,,11.006,,,,D_L_glyceraldehyde,,,35318,bmst000171,1
5,,1,1,1,,1,H8,H,,,5.553,,,,D_L_glyceraldehyde,,,35318,bmst000171,1
6,,1,1,1,,1,H9,H,,,3.627,,,,D_L_glyceraldehyde,,,35318,bmst000171,1
7,,1,1,1,,1,H10,H,,,0.425,,,,D_L_glyceraldehyde,,,35318,bmst000171,1
8,,1,1,1,,1,H11,H,,,5.128,,,,D_L_glyceraldehyde,,,35318,bmst000171,1
9,,1,1,1,,1,H12,H,,,4.649,,,,D_L_glyceraldehyde,,,35318,bmst000171,1
1,,1,1,1,,1,N1,N,,,38.837,,,,D_alanine,,,35328,bmst000172,1
2,,1,1,1,,1,C2,C,,,53.448,,,,D_alanine,,,35328,bmst000172,1
3,,1,1,1,,1,C3,C,,,18.791,,,,D_alanine,,,35328,bmst000172,1
4,,1,1,1,,1,C4,C,,,185.223,,,,D_alanine,,,35328,bmst000172,1
5,,1,1,1,,1,H7,H,,,1.694,,,,D_alanine,,,35328,bmst000172,1
6,,1,1,1,,1,H8,H,,,0.604,,,,D_alanine,,,35328,bmst000172,1
7,,1,1,1,,1,H9,H,,,4.700,,,,D_alanine,,,35328,bmst000172,1
8,,1,1,1,,1,H10,H,,,1.932,,,,D_alanine,,,35328,bmst000172,1
9,,1,1,1,,1,H11,H,,,2.673,,,,D_alanine,,,35328,bmst000172,1
10,,1,1,1,,1,H12,H,,,2.713,,,,D_alanine,,,35328,bmst000172,1
11,,1,1,1,,1,H13,H,,,6.399,,,,D_alanine,,,35328,bmst000172,1
1,,1,1,1,,1,C1,C,,,61.306,,,,D_carnitine,,,35338,bmst000173,1
2,,1,1,1,,1,N2,N,,,57.547,,,,D_carnitine,,,35338,bmst000173,1
3,,1,1,1,,1,C3,C,,,52.892,,,,D_carnitine,,,35338,bmst000173,1
4,,1,1,1,,1,C4,C,,,58.172,,,,D_carnitine,,,35338,bmst000173,1
5,,1,1,1,,1,C5,C,,,73.115,,,,D_carnitine,,,35338,bmst000173,1
6,,1,1,1,,1,C6,C,,,69.358,,,,D_carnitine,,,35338,bmst000173,1
7,,1,1,1,,1,C8,C,,,40.744,,,,D_carnitine,,,35338,bmst000173,1
8,,1,1,1,,1,C9,C,,,178.740,,,,D_carnitine,,,35338,bmst000173,1
9,,1,1,1,,1,H12,H,,,4.355,,,,D_carnitine,,,35338,bmst000173,1
10,,1,1,1,,1,H13,H,,,4.232,,,,D_carnitine,,,35338,bmst000173,1
11,,1,1,1,,1,H14,H,,,4.276,,,,D_carnitine,,,35338,bmst000173,1
12,,1,1,1,,1,H15,H,,,4.321,,,,D_carnitine,,,35338,bmst000173,1
13,,1,1,1,,1,H16,H,,,4.241,,,,D_carnitine,,,35338,bmst000173,1
14,,1,1,1,,1,H17,H,,,5.358,,,,D_carnitine,,,35338,bmst000173,1
15,,1,1,1,,1,H18,H,,,4.075,,,,D_carnitine,,,35338,bmst000173,1
16,,1,1,1,,1,H19,H,,,3.904,,,,D_carnitine,,,35338,bmst000173,1
17,,1,1,1,,1,H20,H,,,6.114,,,,D_carnitine,,,35338,bmst000173,1
18,,1,1,1,,1,H21,H,,,3.825,,,,D_carnitine,,,35338,bmst000173,1
19,,1,1,1,,1,H22,H,,,3.966,,,,D_carnitine,,,35338,bmst000173,1
20,,1,1,1,,1,H23,H,,,6.518,,,,D_carnitine,,,35338,bmst000173,1
21,,1,1,1,,1,H24,H,,,1.100,,,,D_carnitine,,,35338,bmst000173,1
22,,1,1,1,,1,H25,H,,,3.636,,,,D_carnitine,,,35338,bmst000173,1
23,,1,1,1,,1,H26,H,,,3.299,,,,D_carnitine,,,35338,bmst000173,1
24,,1,1,1,,1,H27,H,,,7.548,,,,D_carnitine,,,35338,bmst000173,1
1,,1,1,1,,1,C1,C,,,74.490,,,,D_cellobiose,,,35348,bmst000174,1
2,,1,1,1,,1,C2,C,,,80.739,,,,D_cellobiose,,,35348,bmst000174,1
3,,1,1,1,,1,C4,C,,,82.461,,,,D_cellobiose,,,35348,bmst000174,1
4,,1,1,1,,1,C6,C,,,66.738,,,,D_cellobiose,,,35348,bmst000174,1
5,,1,1,1,,1,C7,C,,,108.483,,,,D_cellobiose,,,35348,bmst000174,1
6,,1,1,1,,1,C8,C,,,79.114,,,,D_cellobiose,,,35348,bmst000174,1
7,,1,1,1,,1,C10,C,,,107.626,,,,D_cellobiose,,,35348,bmst000174,1
8,,1,1,1,,1,C13,C,,,78.976,,,,D_cellobiose,,,35348,bmst000174,1
9,,1,1,1,,1,C16,C,,,82.522,,,,D_cellobiose,,,35348,bmst000174,1
10,,1,1,1,,1,C17,C,,,84.204,,,,D_cellobiose,,,35348,bmst000174,1
11,,1,1,1,,1,C19,C,,,74.545,,,,D_cellobiose,,,35348,bmst000174,1
12,,1,1,1,,1,C20,C,,,68.341,,,,D_cellobiose,,,35348,bmst000174,1
13,,1,1,1,,1,H24,H,,,5.662,,,,D_cellobiose,,,35348,bmst000174,1
14,,1,1,1,,1,H25,H,,,4.096,,,,D_cellobiose,,,35348,bmst000174,1
15,,1,1,1,,1,H26,H,,,4.385,,,,D_cellobiose,,,35348,bmst000174,1
16,,1,1,1,,1,H27,H,,,5.222,,,,D_cellobiose,,,35348,bmst000174,1
17,,1,1,1,,1,H28,H,,,4.801,,,,D_cellobiose,,,35348,bmst000174,1
18,,1,1,1,,1,H29,H,,,6.386,,,,D_cellobiose,,,35348,bmst000174,1
19,,1,1,1,,1,H30,H,,,4.033,,,,D_cellobiose,,,35348,bmst000174,1
20,,1,1,1,,1,H31,H,,,3.212,,,,D_cellobiose,,,35348,bmst000174,1
21,,1,1,1,,1,H32,H,,,5.451,,,,D_cellobiose,,,35348,bmst000174,1
22,,1,1,1,,1,H33,H,,,-0.229,,,,D_cellobiose,,,35348,bmst000174,1
23,,1,1,1,,1,H34,H,,,4.160,,,,D_cellobiose,,,35348,bmst000174,1
24,,1,1,1,,1,H35,H,,,2.231,,,,D_cellobiose,,,35348,bmst000174,1
25,,1,1,1,,1,H36,H,,,1.875,,,,D_cellobiose,,,35348,bmst000174,1
26,,1,1,1,,1,H37,H,,,4.586,,,,D_cellobiose,,,35348,bmst000174,1
27,,1,1,1,,1,H38,H,,,4.174,,,,D_cellobiose,,,35348,bmst000174,1
28,,1,1,1,,1,H39,H,,,2.874,,,,D_cellobiose,,,35348,bmst000174,1
29,,1,1,1,,1,H40,H,,,3.602,,,,D_cellobiose,,,35348,bmst000174,1
30,,1,1,1,,1,H41,H,,,4.861,,,,D_cellobiose,,,35348,bmst000174,1
31,,1,1,1,,1,H42,H,,,5.201,,,,D_cellobiose,,,35348,bmst000174,1
32,,1,1,1,,1,H43,H,,,-0.425,,,,D_cellobiose,,,35348,bmst000174,1
33,,1,1,1,,1,H44,H,,,1.826,,,,D_cellobiose,,,35348,bmst000174,1
34,,1,1,1,,1,H45,H,,,-0.076,,,,D_cellobiose,,,35348,bmst000174,1
1,,1,1,1,,1,C1,C,,,162.685,,,,D_citrulline,,,35358,bmst000175,1
2,,1,1,1,,1,C2,C,,,190.905,,,,D_citrulline,,,35358,bmst000175,1
3,,1,1,1,,1,N5,N,,,93.766,,,,D_citrulline,,,35358,bmst000175,1
4,,1,1,1,,1,C6,C,,,56.694,,,,D_citrulline,,,35358,bmst000175,1
5,,1,1,1,,1,N7,N,,,80.295,,,,D_citrulline,,,35358,bmst000175,1
6,,1,1,1,,1,N9,N,,,33.746,,,,D_citrulline,,,35358,bmst000175,1
7,,1,1,1,,1,C10,C,,,45.666,,,,D_citrulline,,,35358,bmst000175,1
8,,1,1,1,,1,C11,C,,,33.456,,,,D_citrulline,,,35358,bmst000175,1
9,,1,1,1,,1,C12,C,,,28.348,,,,D_citrulline,,,35358,bmst000175,1
10,,1,1,1,,1,H13,H,,,3.273,,,,D_citrulline,,,35358,bmst000175,1
11,,1,1,1,,1,H14,H,,,4.185,,,,D_citrulline,,,35358,bmst000175,1
12,,1,1,1,,1,H15,H,,,4.143,,,,D_citrulline,,,35358,bmst000175,1
13,,1,1,1,,1,H16,H,,,3.573,,,,D_citrulline,,,35358,bmst000175,1
14,,1,1,1,,1,H17,H,,,6.421,,,,D_citrulline,,,35358,bmst000175,1
15,,1,1,1,,1,H18,H,,,1.300,,,,D_citrulline,,,35358,bmst000175,1
16,,1,1,1,,1,H19,H,,,1.624,,,,D_citrulline,,,35358,bmst000175,1
17,,1,1,1,,1,H20,H,,,3.841,,,,D_citrulline,,,35358,bmst000175,1
18,,1,1,1,,1,H21,H,,,3.540,,,,D_citrulline,,,35358,bmst000175,1
19,,1,1,1,,1,H22,H,,,2.702,,,,D_citrulline,,,35358,bmst000175,1
20,,1,1,1,,1,H23,H,,,2.309,,,,D_citrulline,,,35358,bmst000175,1
21,,1,1,1,,1,H24,H,,,2.691,,,,D_citrulline,,,35358,bmst000175,1
22,,1,1,1,,1,H25,H,,,3.583,,,,D_citrulline,,,35358,bmst000175,1
1,,1,1,1,,1,C1,C,,,81.430,,,,D_galacturonic_acid,,,35368,bmst000177,1
2,,1,1,1,,1,C2,C,,,74.870,,,,D_galacturonic_acid,,,35368,bmst000177,1
3,,1,1,1,,1,C4,C,,,183.683,,,,D_galacturonic_acid,,,35368,bmst000177,1
4,,1,1,1,,1,C5,C,,,78.758,,,,D_galacturonic_acid,,,35368,bmst000177,1
5,,1,1,1,,1,C7,C,,,107.076,,,,D_galacturonic_acid,,,35368,bmst000177,1
6,,1,1,1,,1,C10,C,,,75.032,,,,D_galacturonic_acid,,,35368,bmst000177,1
7,,1,1,1,,1,H14,H,,,4.593,,,,D_galacturonic_acid,,,35368,bmst000177,1
8,,1,1,1,,1,H15,H,,,4.611,,,,D_galacturonic_acid,,,35368,bmst000177,1
9,,1,1,1,,1,H16,H,,,4.348,,,,D_galacturonic_acid,,,35368,bmst000177,1
10,,1,1,1,,1,H17,H,,,2.930,,,,D_galacturonic_acid,,,35368,bmst000177,1
11,,1,1,1,,1,H18,H,,,5.118,,,,D_galacturonic_acid,,,35368,bmst000177,1
12,,1,1,1,,1,H19,H,,,6.833,,,,D_galacturonic_acid,,,35368,bmst000177,1
13,,1,1,1,,1,H20,H,,,4.989,,,,D_galacturonic_acid,,,35368,bmst000177,1
14,,1,1,1,,1,H21,H,,,0.877,,,,D_galacturonic_acid,,,35368,bmst000177,1
15,,1,1,1,,1,H22,H,,,2.301,,,,D_galacturonic_acid,,,35368,bmst000177,1
16,,1,1,1,,1,H23,H,,,1.582,,,,D_galacturonic_acid,,,35368,bmst000177,1
1,,1,1,1,,1,C1,C,,,96.534,,,,D_glucosamine_6_phosphate,,,35378,bmst000178,1
2,,1,1,1,,1,C2,C,,,58.511,,,,D_glucosamine_6_phosphate,,,35378,bmst000178,1
3,,1,1,1,,1,C3,C,,,77.862,,,,D_glucosamine_6_phosphate,,,35378,bmst000178,1
4,,1,1,1,,1,C4,C,,,68.663,,,,D_glucosamine_6_phosphate,,,35378,bmst000178,1
5,,1,1,1,,1,C5,C,,,85.182,,,,D_glucosamine_6_phosphate,,,35378,bmst000178,1
6,,1,1,1,,1,C6,C,,,66.043,,,,D_glucosamine_6_phosphate,,,35378,bmst000178,1
7,,1,1,1,,1,N8,N,,,30.737,,,,D_glucosamine_6_phosphate,,,35378,bmst000178,1
8,,1,1,1,,1,P13,P,,,-0.684,,,,D_glucosamine_6_phosphate,,,35378,bmst000178,1
9,,1,1,1,,1,H17,H,,,6.537,,,,D_glucosamine_6_phosphate,,,35378,bmst000178,1
10,,1,1,1,,1,H18,H,,,3.624,,,,D_glucosamine_6_phosphate,,,35378,bmst000178,1
11,,1,1,1,,1,H19,H,,,4.877,,,,D_glucosamine_6_phosphate,,,35378,bmst000178,1
12,,1,1,1,,1,H20,H,,,4.468,,,,D_glucosamine_6_phosphate,,,35378,bmst000178,1
13,,1,1,1,,1,H21,H,,,5.771,,,,D_glucosamine_6_phosphate,,,35378,bmst000178,1
14,,1,1,1,,1,H22,H,,,4.988,,,,D_glucosamine_6_phosphate,,,35378,bmst000178,1
15,,1,1,1,,1,H23,H,,,6.238,,,,D_glucosamine_6_phosphate,,,35378,bmst000178,1
16,,1,1,1,,1,H24,H,,,2.605,,,,D_glucosamine_6_phosphate,,,35378,bmst000178,1
17,,1,1,1,,1,H25,H,,,0.888,,,,D_glucosamine_6_phosphate,,,35378,bmst000178,1
18,,1,1,1,,1,H26,H,,,2.829,,,,D_glucosamine_6_phosphate,,,35378,bmst000178,1
19,,1,1,1,,1,H27,H,,,0.507,,,,D_glucosamine_6_phosphate,,,35378,bmst000178,1
20,,1,1,1,,1,H28,H,,,6.171,,,,D_glucosamine_6_phosphate,,,35378,bmst000178,1
21,,1,1,1,,1,H29,H,,,3.686,,,,D_glucosamine_6_phosphate,,,35378,bmst000178,1
22,,1,1,1,,1,H30,H,,,8.092,,,,D_glucosamine_6_phosphate,,,35378,bmst000178,1
1,,1,1,1,,1,P1,P,,,-0.214,,,,D_ribose_5_phosphate,,,35388,bmst000180,1
2,,1,1,1,,1,C6,C,,,74.184,,,,D_ribose_5_phosphate,,,35388,bmst000180,1
3,,1,1,1,,1,C7,C,,,87.520,,,,D_ribose_5_phosphate,,,35388,bmst000180,1
4,,1,1,1,,1,C8,C,,,76.269,,,,D_ribose_5_phosphate,,,35388,bmst000180,1
5,,1,1,1,,1,C10,C,,,81.466,,,,D_ribose_5_phosphate,,,35388,bmst000180,1
6,,1,1,1,,1,C12,C,,,110.653,,,,D_ribose_5_phosphate,,,35388,bmst000180,1
7,,1,1,1,,1,H15,H,,,4.023,,,,D_ribose_5_phosphate,,,35388,bmst000180,1
8,,1,1,1,,1,H16,H,,,3.641,,,,D_ribose_5_phosphate,,,35388,bmst000180,1
9,,1,1,1,,1,H17,H,,,5.547,,,,D_ribose_5_phosphate,,,35388,bmst000180,1
10,,1,1,1,,1,H18,H,,,4.927,,,,D_ribose_5_phosphate,,,35388,bmst000180,1
11,,1,1,1,,1,H19,H,,,5.273,,,,D_ribose_5_phosphate,,,35388,bmst000180,1
12,,1,1,1,,1,H20,H,,,5.019,,,,D_ribose_5_phosphate,,,35388,bmst000180,1
13,,1,1,1,,1,H21,H,,,4.734,,,,D_ribose_5_phosphate,,,35388,bmst000180,1
14,,1,1,1,,1,H22,H,,,2.520,,,,D_ribose_5_phosphate,,,35388,bmst000180,1
15,,1,1,1,,1,H23,H,,,5.978,,,,D_ribose_5_phosphate,,,35388,bmst000180,1
16,,1,1,1,,1,H24,H,,,0.940,,,,D_ribose_5_phosphate,,,35388,bmst000180,1
17,,1,1,1,,1,H25,H,,,1.133,,,,D_ribose_5_phosphate,,,35388,bmst000180,1
1,,1,1,1,,1,C3,C,,,185.139,,,,D_saccharate,,,35398,bmst000182,1
2,,1,1,1,,1,C4,C,,,82.219,,,,D_saccharate,,,35398,bmst000182,1
3,,1,1,1,,1,C6,C,,,77.811,,,,D_saccharate,,,35398,bmst000182,1
4,,1,1,1,,1,C8,C,,,82.970,,,,D_saccharate,,,35398,bmst000182,1
5,,1,1,1,,1,C11,C,,,85.309,,,,D_saccharate,,,35398,bmst000182,1
6,,1,1,1,,1,C12,C,,,190.660,,,,D_saccharate,,,35398,bmst000182,1
7,,1,1,1,,1,H15,H,,,6.253,,,,D_saccharate,,,35398,bmst000182,1
8,,1,1,1,,1,H16,H,,,4.972,,,,D_saccharate,,,35398,bmst000182,1
9,,1,1,1,,1,H17,H,,,2.844,,,,D_saccharate,,,35398,bmst000182,1
10,,1,1,1,,1,H18,H,,,5.022,,,,D_saccharate,,,35398,bmst000182,1
11,,1,1,1,,1,H19,H,,,3.844,,,,D_saccharate,,,35398,bmst000182,1
12,,1,1,1,,1,H20,H,,,4.426,,,,D_saccharate,,,35398,bmst000182,1
13,,1,1,1,,1,H21,H,,,2.658,,,,D_saccharate,,,35398,bmst000182,1
14,,1,1,1,,1,H22,H,,,0.693,,,,D_saccharate,,,35398,bmst000182,1
15,,1,1,1,,1,H23,H,,,5.166,,,,D_saccharate,,,35398,bmst000182,1
16,,1,1,1,,1,H24,H,,,7.425,,,,D_saccharate,,,35398,bmst000182,1
1,,1,1,1,,1,C1,C,,,70.751,,,,D_xylonate_cadmium,,,35408,bmst000183,1
2,,1,1,1,,1,C2,C,,,77.710,,,,D_xylonate_cadmium,,,35408,bmst000183,1
3,,1,1,1,,1,C3,C,,,69.519,,,,D_xylonate_cadmium,,,35408,bmst000183,1
4,,1,1,1,,1,C5,C,,,184.078,,,,D_xylonate_cadmium,,,35408,bmst000183,1
5,,1,1,1,,1,C7,C,,,67.609,,,,D_xylonate_cadmium,,,35408,bmst000183,1
6,,1,1,1,,1,H12,H,,,4.879,,,,D_xylonate_cadmium,,,35408,bmst000183,1
7,,1,1,1,,1,H13,H,,,5.220,,,,D_xylonate_cadmium,,,35408,bmst000183,1
8,,1,1,1,,1,H14,H,,,5.301,,,,D_xylonate_cadmium,,,35408,bmst000183,1
9,,1,1,1,,1,H15,H,,,2.572,,,,D_xylonate_cadmium,,,35408,bmst000183,1
10,,1,1,1,,1,H16,H,,,1.195,,,,D_xylonate_cadmium,,,35408,bmst000183,1
11,,1,1,1,,1,H17,H,,,4.699,,,,D_xylonate_cadmium,,,35408,bmst000183,1
12,,1,1,1,,1,H18,H,,,4.788,,,,D_xylonate_cadmium,,,35408,bmst000183,1
13,,1,1,1,,1,H19,H,,,3.169,,,,D_xylonate_cadmium,,,35408,bmst000183,1
14,,1,1,1,,1,H20,H,,,6.502,,,,D_xylonate_cadmium,,,35408,bmst000183,1
15,,1,1,1,,1,H21,H,,,0.499,,,,D_xylonate_cadmium,,,35408,bmst000183,1
1,,1,1,1,,1,C2,C,,,38.291,,,,HEPES,,,35418,bmst000184,1
2,,1,1,1,,1,C6,C,,,61.037,,,,HEPES,,,35418,bmst000184,1
3,,1,1,1,,1,N7,N,,,49.676,,,,HEPES,,,35418,bmst000184,1
4,,1,1,1,,1,C8,C,,,48.911,,,,HEPES,,,35418,bmst000184,1
5,,1,1,1,,1,C9,C,,,49.374,,,,HEPES,,,35418,bmst000184,1
6,,1,1,1,,1,C10,C,,,58.525,,,,HEPES,,,35418,bmst000184,1
7,,1,1,1,,1,C11,C,,,62.193,,,,HEPES,,,35418,bmst000184,1
8,,1,1,1,,1,N12,N,,,67.451,,,,HEPES,,,35418,bmst000184,1
9,,1,1,1,,1,C13,C,,,60.261,,,,HEPES,,,35418,bmst000184,1
10,,1,1,1,,1,C14,C,,,61.557,,,,HEPES,,,35418,bmst000184,1
11,,1,1,1,,1,H16,H,,,2.493,,,,HEPES,,,35418,bmst000184,1
12,,1,1,1,,1,H17,H,,,2.443,,,,HEPES,,,35418,bmst000184,1
13,,1,1,1,,1,H18,H,,,4.411,,,,HEPES,,,35418,bmst000184,1
14,,1,1,1,,1,H19,H,,,4.427,,,,HEPES,,,35418,bmst000184,1
15,,1,1,1,,1,H20,H,,,3.504,,,,HEPES,,,35418,bmst000184,1
16,,1,1,1,,1,H21,H,,,4.082,,,,HEPES,,,35418,bmst000184,1
17,,1,1,1,,1,H22,H,,,3.626,,,,HEPES,,,35418,bmst000184,1
18,,1,1,1,,1,H23,H,,,4.116,,,,HEPES,,,35418,bmst000184,1
19,,1,1,1,,1,H24,H,,,3.975,,,,HEPES,,,35418,bmst000184,1
20,,1,1,1,,1,H25,H,,,3.833,,,,HEPES,,,35418,bmst000184,1
21,,1,1,1,,1,H26,H,,,4.087,,,,HEPES,,,35418,bmst000184,1
22,,1,1,1,,1,H27,H,,,4.123,,,,HEPES,,,35418,bmst000184,1
23,,1,1,1,,1,H28,H,,,2.808,,,,HEPES,,,35418,bmst000184,1
24,,1,1,1,,1,H29,H,,,4.150,,,,HEPES,,,35418,bmst000184,1
25,,1,1,1,,1,H30,H,,,4.112,,,,HEPES,,,35418,bmst000184,1
26,,1,1,1,,1,H31,H,,,4.703,,,,HEPES,,,35418,bmst000184,1
27,,1,1,1,,1,H32,H,,,5.290,,,,HEPES,,,35418,bmst000184,1
28,,1,1,1,,1,H33,H,,,0.944,,,,HEPES,,,35418,bmst000184,1
1,,1,1,1,,1,C1,C,,,180.858,,,,L-ascorbate,,,35428,bmst000185,1
2,,1,1,1,,1,C2,C,,,123.340,,,,L-ascorbate,,,35428,bmst000185,1
3,,1,1,1,,1,C3,C,,,201.462,,,,L-ascorbate,,,35428,bmst000185,1
4,,1,1,1,,1,C4,C,,,88.875,,,,L-ascorbate,,,35428,bmst000185,1
5,,1,1,1,,1,C5,C,,,74.305,,,,L-ascorbate,,,35428,bmst000185,1
6,,1,1,1,,1,C6,C,,,68.706,,,,L-ascorbate,,,35428,bmst000185,1
7,,1,1,1,,1,H13,H,,,4.975,,,,L-ascorbate,,,35428,bmst000185,1
8,,1,1,1,,1,H14,H,,,5.236,,,,L-ascorbate,,,35428,bmst000185,1
9,,1,1,1,,1,H15,H,,,4.609,,,,L-ascorbate,,,35428,bmst000185,1
10,,1,1,1,,1,H16,H,,,4.839,,,,L-ascorbate,,,35428,bmst000185,1
11,,1,1,1,,1,H17,H,,,5.391,,,,L-ascorbate,,,35428,bmst000185,1
12,,1,1,1,,1,H18,H,,,3.830,,,,L-ascorbate,,,35428,bmst000185,1
13,,1,1,1,,1,H19,H,,,2.522,,,,L-ascorbate,,,35428,bmst000185,1
14,,1,1,1,,1,H20,H,,,0.552,,,,L-ascorbate,,,35428,bmst000185,1
1,,1,1,1,,1,C1,C,,,31.669,,,,L_arginine_L_glutamate,,,35438,bmst000186,1
2,,1,1,1,,1,C2,C,,,33.905,,,,L_arginine_L_glutamate,,,35438,bmst000186,1
3,,1,1,1,,1,C3,C,,,49.485,,,,L_arginine_L_glutamate,,,35438,bmst000186,1
4,,1,1,1,,1,C4,C,,,57.448,,,,L_arginine_L_glutamate,,,35438,bmst000186,1
5,,1,1,1,,1,N5,N,,,203.961,,,,L_arginine_L_glutamate,,,35438,bmst000186,1
6,,1,1,1,,1,C6,C,,,191.916,,,,L_arginine_L_glutamate,,,35438,bmst000186,1
7,,1,1,1,,1,N7,N,,,35.539,,,,L_arginine_L_glutamate,,,35438,bmst000186,1
8,,1,1,1,,1,C8,C,,,153.992,,,,L_arginine_L_glutamate,,,35438,bmst000186,1
9,,1,1,1,,1,N11,N,,,74.222,,,,L_arginine_L_glutamate,,,35438,bmst000186,1
10,,1,1,1,,1,N12,N,,,68.981,,,,L_arginine_L_glutamate,,,35438,bmst000186,1
11,,1,1,1,,1,C13,C,,,32.038,,,,L_arginine_L_glutamate,,,35438,bmst000186,1
12,,1,1,1,,1,C14,C,,,56.783,,,,L_arginine_L_glutamate,,,35438,bmst000186,1
13,,1,1,1,,1,C15,C,,,34.393,,,,L_arginine_L_glutamate,,,35438,bmst000186,1
14,,1,1,1,,1,C16,C,,,190.553,,,,L_arginine_L_glutamate,,,35438,bmst000186,1
15,,1,1,1,,1,N17,N,,,33.379,,,,L_arginine_L_glutamate,,,35438,bmst000186,1
16,,1,1,1,,1,C18,C,,,184.938,,,,L_arginine_L_glutamate,,,35438,bmst000186,1
17,,1,1,1,,1,H23,H,,,2.605,,,,L_arginine_L_glutamate,,,35438,bmst000186,1
18,,1,1,1,,1,H24,H,,,4.077,,,,L_arginine_L_glutamate,,,35438,bmst000186,1
19,,1,1,1,,1,H25,H,,,2.648,,,,L_arginine_L_glutamate,,,35438,bmst000186,1
20,,1,1,1,,1,H26,H,,,2.270,,,,L_arginine_L_glutamate,,,35438,bmst000186,1
21,,1,1,1,,1,H27,H,,,3.960,,,,L_arginine_L_glutamate,,,35438,bmst000186,1
22,,1,1,1,,1,H28,H,,,3.756,,,,L_arginine_L_glutamate,,,35438,bmst000186,1
23,,1,1,1,,1,H29,H,,,4.216,,,,L_arginine_L_glutamate,,,35438,bmst000186,1
24,,1,1,1,,1,H30,H,,,1.259,,,,L_arginine_L_glutamate,,,35438,bmst000186,1
25,,1,1,1,,1,H31,H,,,1.505,,,,L_arginine_L_glutamate,,,35438,bmst000186,1
26,,1,1,1,,1,H32,H,,,6.265,,,,L_arginine_L_glutamate,,,35438,bmst000186,1
27,,1,1,1,,1,H33,H,,,3.396,,,,L_arginine_L_glutamate,,,35438,bmst000186,1
28,,1,1,1,,1,H34,H,,,3.187,,,,L_arginine_L_glutamate,,,35438,bmst000186,1
29,,1,1,1,,1,H35,H,,,3.471,,,,L_arginine_L_glutamate,,,35438,bmst000186,1
30,,1,1,1,,1,H36,H,,,3.867,,,,L_arginine_L_glutamate,,,35438,bmst000186,1
31,,1,1,1,,1,H37,H,,,3.076,,,,L_arginine_L_glutamate,,,35438,bmst000186,1
32,,1,1,1,,1,H38,H,,,3.053,,,,L_arginine_L_glutamate,,,35438,bmst000186,1
33,,1,1,1,,1,H39,H,,,4.063,,,,L_arginine_L_glutamate,,,35438,bmst000186,1
34,,1,1,1,,1,H40,H,,,2.971,,,,L_arginine_L_glutamate,,,35438,bmst000186,1
35,,1,1,1,,1,H41,H,,,4.840,,,,L_arginine_L_glutamate,,,35438,bmst000186,1
36,,1,1,1,,1,H42,H,,,1.306,,,,L_arginine_L_glutamate,,,35438,bmst000186,1
37,,1,1,1,,1,H43,H,,,1.706,,,,L_arginine_L_glutamate,,,35438,bmst000186,1
38,,1,1,1,,1,H44,H,,,6.447,,,,L_arginine_L_glutamate,,,35438,bmst000186,1
39,,1,1,1,,1,H45,H,,,6.242,,,,L_arginine_L_glutamate,,,35438,bmst000186,1
1,,1,1,1,,1,C1,C,,,134.262,,,,L_carnosine,,,35448,bmst000187,1
2,,1,1,1,,1,C2,C,,,140.062,,,,L_carnosine,,,35448,bmst000187,1
3,,1,1,1,,1,C3,C,,,42.127,,,,L_carnosine,,,35448,bmst000187,1
4,,1,1,1,,1,C4,C,,,41.769,,,,L_carnosine,,,35448,bmst000187,1
5,,1,1,1,,1,C5,C,,,34.163,,,,L_carnosine,,,35448,bmst000187,1
6,,1,1,1,,1,C6,C,,,129.650,,,,L_carnosine,,,35448,bmst000187,1
7,,1,1,1,,1,C7,C,,,51.994,,,,L_carnosine,,,35448,bmst000187,1
8,,1,1,1,,1,C8,C,,,182.043,,,,L_carnosine,,,35448,bmst000187,1
9,,1,1,1,,1,C9,C,,,182.961,,,,L_carnosine,,,35448,bmst000187,1
10,,1,1,1,,1,N10,N,,,34.194,,,,L_carnosine,,,35448,bmst000187,1
11,,1,1,1,,1,N11,N,,,174.203,,,,L_carnosine,,,35448,bmst000187,1
12,,1,1,1,,1,N12,N,,,293.445,,,,L_carnosine,,,35448,bmst000187,1
13,,1,1,1,,1,N13,N,,,128.198,,,,L_carnosine,,,35448,bmst000187,1
14,,1,1,1,,1,H17,H,,,8.120,,,,L_carnosine,,,35448,bmst000187,1
15,,1,1,1,,1,H18,H,,,8.342,,,,L_carnosine,,,35448,bmst000187,1
16,,1,1,1,,1,H19,H,,,3.938,,,,L_carnosine,,,35448,bmst000187,1
17,,1,1,1,,1,H20,H,,,2.710,,,,L_carnosine,,,35448,bmst000187,1
18,,1,1,1,,1,H21,H,,,4.318,,,,L_carnosine,,,35448,bmst000187,1
19,,1,1,1,,1,H22,H,,,3.726,,,,L_carnosine,,,35448,bmst000187,1
20,,1,1,1,,1,H23,H,,,4.368,,,,L_carnosine,,,35448,bmst000187,1
21,,1,1,1,,1,H24,H,,,4.175,,,,L_carnosine,,,35448,bmst000187,1
22,,1,1,1,,1,H25,H,,,6.256,,,,L_carnosine,,,35448,bmst000187,1
23,,1,1,1,,1,H26,H,,,1.053,,,,L_carnosine,,,35448,bmst000187,1
24,,1,1,1,,1,H27,H,,,0.254,,,,L_carnosine,,,35448,bmst000187,1
25,,1,1,1,,1,H28,H,,,10.782,,,,L_carnosine,,,35448,bmst000187,1
26,,1,1,1,,1,H29,H,,,6.448,,,,L_carnosine,,,35448,bmst000187,1
27,,1,1,1,,1,H30,H,,,6.694,,,,L_carnosine,,,35448,bmst000187,1
1,,1,1,1,,1,N1,N,,,39.047,,,,L_glutathione_oxidized,,,35458,bmst000188,1
2,,1,1,1,,1,C2,C,,,59.691,,,,L_glutathione_oxidized,,,35458,bmst000188,1
3,,1,1,1,,1,C3,C,,,188.020,,,,L_glutathione_oxidized,,,35458,bmst000188,1
4,,1,1,1,,1,C6,C,,,32.313,,,,L_glutathione_oxidized,,,35458,bmst000188,1
5,,1,1,1,,1,C7,C,,,36.709,,,,L_glutathione_oxidized,,,35458,bmst000188,1
6,,1,1,1,,1,C8,C,,,178.530,,,,L_glutathione_oxidized,,,35458,bmst000188,1
7,,1,1,1,,1,N10,N,,,123.284,,,,L_glutathione_oxidized,,,35458,bmst000188,1
8,,1,1,1,,1,C11,C,,,53.171,,,,L_glutathione_oxidized,,,35458,bmst000188,1
9,,1,1,1,,1,C12,C,,,176.984,,,,L_glutathione_oxidized,,,35458,bmst000188,1
10,,1,1,1,,1,C14,C,,,42.683,,,,L_glutathione_oxidized,,,35458,bmst000188,1
11,,1,1,1,,1,N16,N,,,116.589,,,,L_glutathione_oxidized,,,35458,bmst000188,1
12,,1,1,1,,1,C17,C,,,44.168,,,,L_glutathione_oxidized,,,35458,bmst000188,1
13,,1,1,1,,1,C18,C,,,180.938,,,,L_glutathione_oxidized,,,35458,bmst000188,1
14,,1,1,1,,1,N21,N,,,122.621,,,,L_glutathione_oxidized,,,35458,bmst000188,1
15,,1,1,1,,1,C22,C,,,42.320,,,,L_glutathione_oxidized,,,35458,bmst000188,1
16,,1,1,1,,1,C23,C,,,181.904,,,,L_glutathione_oxidized,,,35458,bmst000188,1
17,,1,1,1,,1,C26,C,,,181.308,,,,L_glutathione_oxidized,,,35458,bmst000188,1
18,,1,1,1,,1,C28,C,,,53.320,,,,L_glutathione_oxidized,,,35458,bmst000188,1
19,,1,1,1,,1,N29,N,,,131.609,,,,L_glutathione_oxidized,,,35458,bmst000188,1
20,,1,1,1,,1,C30,C,,,40.222,,,,L_glutathione_oxidized,,,35458,bmst000188,1
21,,1,1,1,,1,C32,C,,,55.301,,,,L_glutathione_oxidized,,,35458,bmst000188,1
22,,1,1,1,,1,C33,C,,,190.328,,,,L_glutathione_oxidized,,,35458,bmst000188,1
23,,1,1,1,,1,N36,N,,,32.900,,,,L_glutathione_oxidized,,,35458,bmst000188,1
24,,1,1,1,,1,C37,C,,,30.077,,,,L_glutathione_oxidized,,,35458,bmst000188,1
25,,1,1,1,,1,C38,C,,,35.741,,,,L_glutathione_oxidized,,,35458,bmst000188,1
26,,1,1,1,,1,C39,C,,,184.656,,,,L_glutathione_oxidized,,,35458,bmst000188,1
27,,1,1,1,,1,H41,H,,,2.302,,,,L_glutathione_oxidized,,,35458,bmst000188,1
28,,1,1,1,,1,H42,H,,,0.892,,,,L_glutathione_oxidized,,,35458,bmst000188,1
29,,1,1,1,,1,H43,H,,,4.306,,,,L_glutathione_oxidized,,,35458,bmst000188,1
30,,1,1,1,,1,H44,H,,,6.522,,,,L_glutathione_oxidized,,,35458,bmst000188,1
31,,1,1,1,,1,H45,H,,,3.272,,,,L_glutathione_oxidized,,,35458,bmst000188,1
32,,1,1,1,,1,H46,H,,,3.013,,,,L_glutathione_oxidized,,,35458,bmst000188,1
33,,1,1,1,,1,H47,H,,,3.113,,,,L_glutathione_oxidized,,,35458,bmst000188,1
34,,1,1,1,,1,H48,H,,,3.670,,,,L_glutathione_oxidized,,,35458,bmst000188,1
35,,1,1,1,,1,H49,H,,,7.448,,,,L_glutathione_oxidized,,,35458,bmst000188,1
36,,1,1,1,,1,H50,H,,,4.624,,,,L_glutathione_oxidized,,,35458,bmst000188,1
37,,1,1,1,,1,H51,H,,,5.018,,,,L_glutathione_oxidized,,,35458,bmst000188,1
38,,1,1,1,,1,H52,H,,,3.271,,,,L_glutathione_oxidized,,,35458,bmst000188,1
39,,1,1,1,,1,H53,H,,,6.901,,,,L_glutathione_oxidized,,,35458,bmst000188,1
40,,1,1,1,,1,H54,H,,,4.222,,,,L_glutathione_oxidized,,,35458,bmst000188,1
41,,1,1,1,,1,H55,H,,,6.345,,,,L_glutathione_oxidized,,,35458,bmst000188,1
42,,1,1,1,,1,H56,H,,,11.067,,,,L_glutathione_oxidized,,,35458,bmst000188,1
43,,1,1,1,,1,H57,H,,,9.201,,,,L_glutathione_oxidized,,,35458,bmst000188,1
44,,1,1,1,,1,H58,H,,,4.500,,,,L_glutathione_oxidized,,,35458,bmst000188,1
45,,1,1,1,,1,H59,H,,,6.047,,,,L_glutathione_oxidized,,,35458,bmst000188,1
46,,1,1,1,,1,H60,H,,,6.490,,,,L_glutathione_oxidized,,,35458,bmst000188,1
47,,1,1,1,,1,H61,H,,,5.273,,,,L_glutathione_oxidized,,,35458,bmst000188,1
48,,1,1,1,,1,H62,H,,,5.840,,,,L_glutathione_oxidized,,,35458,bmst000188,1
49,,1,1,1,,1,H63,H,,,4.204,,,,L_glutathione_oxidized,,,35458,bmst000188,1
50,,1,1,1,,1,H64,H,,,3.738,,,,L_glutathione_oxidized,,,35458,bmst000188,1
51,,1,1,1,,1,H65,H,,,4.132,,,,L_glutathione_oxidized,,,35458,bmst000188,1
52,,1,1,1,,1,H66,H,,,6.526,,,,L_glutathione_oxidized,,,35458,bmst000188,1
53,,1,1,1,,1,H67,H,,,1.314,,,,L_glutathione_oxidized,,,35458,bmst000188,1
54,,1,1,1,,1,H68,H,,,1.691,,,,L_glutathione_oxidized,,,35458,bmst000188,1
55,,1,1,1,,1,H69,H,,,2.898,,,,L_glutathione_oxidized,,,35458,bmst000188,1
56,,1,1,1,,1,H70,H,,,3.276,,,,L_glutathione_oxidized,,,35458,bmst000188,1
57,,1,1,1,,1,H71,H,,,2.917,,,,L_glutathione_oxidized,,,35458,bmst000188,1
58,,1,1,1,,1,H72,H,,,4.837,,,,L_glutathione_oxidized,,,35458,bmst000188,1
1,,1,1,1,,1,N1,N,,,39.181,,,,L_glutathione_reduced,,,35468,bmst000189,1
2,,1,1,1,,1,C2,C,,,59.853,,,,L_glutathione_reduced,,,35468,bmst000189,1
3,,1,1,1,,1,C3,C,,,187.984,,,,L_glutathione_reduced,,,35468,bmst000189,1
4,,1,1,1,,1,C6,C,,,32.184,,,,L_glutathione_reduced,,,35468,bmst000189,1
5,,1,1,1,,1,C7,C,,,36.672,,,,L_glutathione_reduced,,,35468,bmst000189,1
6,,1,1,1,,1,C8,C,,,178.983,,,,L_glutathione_reduced,,,35468,bmst000189,1
7,,1,1,1,,1,N10,N,,,124.590,,,,L_glutathione_reduced,,,35468,bmst000189,1
8,,1,1,1,,1,C11,C,,,58.593,,,,L_glutathione_reduced,,,35468,bmst000189,1
9,,1,1,1,,1,C12,C,,,179.321,,,,L_glutathione_reduced,,,35468,bmst000189,1
10,,1,1,1,,1,C14,C,,,29.246,,,,L_glutathione_reduced,,,35468,bmst000189,1
10,,1,1,1,,1,H12,H,,,4.386,,,,L_ornithine,,,35508,bmst000194,1
11,,1,1,1,,1,N16,N,,,111.972,,,,L_glutathione_reduced,,,35468,bmst000189,1
12,,1,1,1,,1,C17,C,,,42.555,,,,L_glutathione_reduced,,,35468,bmst000189,1
13,,1,1,1,,1,C18,C,,,182.383,,,,L_glutathione_reduced,,,35468,bmst000189,1
14,,1,1,1,,1,H21,H,,,2.307,,,,L_glutathione_reduced,,,35468,bmst000189,1
15,,1,1,1,,1,H22,H,,,0.889,,,,L_glutathione_reduced,,,35468,bmst000189,1
16,,1,1,1,,1,H23,H,,,4.287,,,,L_glutathione_reduced,,,35468,bmst000189,1
17,,1,1,1,,1,H24,H,,,6.520,,,,L_glutathione_reduced,,,35468,bmst000189,1
18,,1,1,1,,1,H25,H,,,3.283,,,,L_glutathione_reduced,,,35468,bmst000189,1
19,,1,1,1,,1,H26,H,,,3.012,,,,L_glutathione_reduced,,,35468,bmst000189,1
20,,1,1,1,,1,H27,H,,,3.120,,,,L_glutathione_reduced,,,35468,bmst000189,1
21,,1,1,1,,1,H28,H,,,3.682,,,,L_glutathione_reduced,,,35468,bmst000189,1
22,,1,1,1,,1,H29,H,,,7.443,,,,L_glutathione_reduced,,,35468,bmst000189,1
23,,1,1,1,,1,H30,H,,,4.641,,,,L_glutathione_reduced,,,35468,bmst000189,1
24,,1,1,1,,1,H31,H,,,4.401,,,,L_glutathione_reduced,,,35468,bmst000189,1
25,,1,1,1,,1,H32,H,,,3.204,,,,L_glutathione_reduced,,,35468,bmst000189,1
26,,1,1,1,,1,H33,H,,,7.651,,,,L_glutathione_reduced,,,35468,bmst000189,1
27,,1,1,1,,1,H34,H,,,4.560,,,,L_glutathione_reduced,,,35468,bmst000189,1
28,,1,1,1,,1,H35,H,,,6.087,,,,L_glutathione_reduced,,,35468,bmst000189,1
29,,1,1,1,,1,H36,H,,,6.486,,,,L_glutathione_reduced,,,35468,bmst000189,1
30,,1,1,1,,1,H37,H,,,4.121,,,,L_glutathione_reduced,,,35468,bmst000189,1
1,,1,1,1,,1,C1,C,,,87.288,,,,L_gulonolactone,,,35478,bmst000190,1
2,,1,1,1,,1,C2,C,,,71.863,,,,L_gulonolactone,,,35478,bmst000190,1
3,,1,1,1,,1,C4,C,,,72.361,,,,L_gulonolactone,,,35478,bmst000190,1
4,,1,1,1,,1,C5,C,,,67.131,,,,L_gulonolactone,,,35478,bmst000190,1
5,,1,1,1,,1,C7,C,,,191.080,,,,L_gulonolactone,,,35478,bmst000190,1
6,,1,1,1,,1,C8,C,,,67.782,,,,L_gulonolactone,,,35478,bmst000190,1
7,,1,1,1,,1,H13,H,,,5.329,,,,L_gulonolactone,,,35478,bmst000190,1
8,,1,1,1,,1,H14,H,,,5.505,,,,L_gulonolactone,,,35478,bmst000190,1
9,,1,1,1,,1,H15,H,,,5.188,,,,L_gulonolactone,,,35478,bmst000190,1
10,,1,1,1,,1,H16,H,,,4.859,,,,L_gulonolactone,,,35478,bmst000190,1
11,,1,1,1,,1,H17,H,,,3.895,,,,L_gulonolactone,,,35478,bmst000190,1
12,,1,1,1,,1,H18,H,,,4.673,,,,L_gulonolactone,,,35478,bmst000190,1
13,,1,1,1,,1,H19,H,,,4.802,,,,L_gulonolactone,,,35478,bmst000190,1
14,,1,1,1,,1,H20,H,,,3.100,,,,L_gulonolactone,,,35478,bmst000190,1
15,,1,1,1,,1,H21,H,,,1.219,,,,L_gulonolactone,,,35478,bmst000190,1
16,,1,1,1,,1,H22,H,,,0.581,,,,L_gulonolactone,,,35478,bmst000190,1
1,,1,1,1,,1,C1,C,,,119.299,,,,L_kynurenine,,,35488,bmst000191,1
2,,1,1,1,,1,C2,C,,,141.282,,,,L_kynurenine,,,35488,bmst000191,1
3,,1,1,1,,1,C3,C,,,138.177,,,,L_kynurenine,,,35488,bmst000191,1
4,,1,1,1,,1,C4,C,,,120.528,,,,L_kynurenine,,,35488,bmst000191,1
5,,1,1,1,,1,C5,C,,,45.748,,,,L_kynurenine,,,35488,bmst000191,1
6,,1,1,1,,1,C6,C,,,123.072,,,,L_kynurenine,,,35488,bmst000191,1
7,,1,1,1,,1,C7,C,,,156.756,,,,L_kynurenine,,,35488,bmst000191,1
8,,1,1,1,,1,C8,C,,,54.146,,,,L_kynurenine,,,35488,bmst000191,1
9,,1,1,1,,1,C9,C,,,212.314,,,,L_kynurenine,,,35488,bmst000191,1
10,,1,1,1,,1,C10,C,,,190.991,,,,L_kynurenine,,,35488,bmst000191,1
11,,1,1,1,,1,N11,N,,,84.842,,,,L_kynurenine,,,35488,bmst000191,1
12,,1,1,1,,1,N12,N,,,40.764,,,,L_kynurenine,,,35488,bmst000191,1
13,,1,1,1,,1,H16,H,,,7.691,,,,L_kynurenine,,,35488,bmst000191,1
14,,1,1,1,,1,H17,H,,,8.293,,,,L_kynurenine,,,35488,bmst000191,1
15,,1,1,1,,1,H18,H,,,8.828,,,,L_kynurenine,,,35488,bmst000191,1
16,,1,1,1,,1,H19,H,,,7.486,,,,L_kynurenine,,,35488,bmst000191,1
17,,1,1,1,,1,H20,H,,,4.729,,,,L_kynurenine,,,35488,bmst000191,1
18,,1,1,1,,1,H21,H,,,4.421,,,,L_kynurenine,,,35488,bmst000191,1
19,,1,1,1,,1,H22,H,,,5.872,,,,L_kynurenine,,,35488,bmst000191,1
20,,1,1,1,,1,H23,H,,,4.686,,,,L_kynurenine,,,35488,bmst000191,1
21,,1,1,1,,1,H24,H,,,10.441,,,,L_kynurenine,,,35488,bmst000191,1
22,,1,1,1,,1,H25,H,,,1.688,,,,L_kynurenine,,,35488,bmst000191,1
23,,1,1,1,,1,H26,H,,,0.921,,,,L_kynurenine,,,35488,bmst000191,1
24,,1,1,1,,1,H27,H,,,6.438,,,,L_kynurenine,,,35488,bmst000191,1
1,,1,1,1,,1,C1,C,,,193.048,,,,L_lactic_acid,,,35498,bmst000192,1
2,,1,1,1,,1,C2,C,,,67.722,,,,L_lactic_acid,,,35498,bmst000192,1
3,,1,1,1,,1,C3,C,,,21.259,,,,L_lactic_acid,,,35498,bmst000192,1
4,,1,1,1,,1,H7,H,,,5.332,,,,L_lactic_acid,,,35498,bmst000192,1
5,,1,1,1,,1,H8,H,,,2.767,,,,L_lactic_acid,,,35498,bmst000192,1
6,,1,1,1,,1,H9,H,,,2.446,,,,L_lactic_acid,,,35498,bmst000192,1
7,,1,1,1,,1,H10,H,,,2.310,,,,L_lactic_acid,,,35498,bmst000192,1
8,,1,1,1,,1,H11,H,,,2.742,,,,L_lactic_acid,,,35498,bmst000192,1
9,,1,1,1,,1,H12,H,,,6.677,,,,L_lactic_acid,,,35498,bmst000192,1
1,,1,1,1,,1,N1,N,,,39.551,,,,L_ornithine,,,35508,bmst000194,1
2,,1,1,1,,1,C2,C,,,58.830,,,,L_ornithine,,,35508,bmst000194,1
3,,1,1,1,,1,C3,C,,,34.882,,,,L_ornithine,,,35508,bmst000194,1
4,,1,1,1,,1,C4,C,,,31.755,,,,L_ornithine,,,35508,bmst000194,1
5,,1,1,1,,1,C5,C,,,46.885,,,,L_ornithine,,,35508,bmst000194,1
6,,1,1,1,,1,N6,N,,,37.530,,,,L_ornithine,,,35508,bmst000194,1
7,,1,1,1,,1,C7,C,,,188.495,,,,L_ornithine,,,35508,bmst000194,1
8,,1,1,1,,1,H10,H,,,2.229,,,,L_ornithine,,,35508,bmst000194,1
9,,1,1,1,,1,H11,H,,,0.731,,,,L_ornithine,,,35508,bmst000194,1
11,,1,1,1,,1,H13,H,,,2.204,,,,L_ornithine,,,35508,bmst000194,1
12,,1,1,1,,1,H14,H,,,2.963,,,,L_ornithine,,,35508,bmst000194,1
13,,1,1,1,,1,H15,H,,,2.611,,,,L_ornithine,,,35508,bmst000194,1
14,,1,1,1,,1,H16,H,,,2.987,,,,L_ornithine,,,35508,bmst000194,1
15,,1,1,1,,1,H17,H,,,3.703,,,,L_ornithine,,,35508,bmst000194,1
16,,1,1,1,,1,H18,H,,,3.533,,,,L_ornithine,,,35508,bmst000194,1
17,,1,1,1,,1,H19,H,,,0.851,,,,L_ornithine,,,35508,bmst000194,1
18,,1,1,1,,1,H20,H,,,0.337,,,,L_ornithine,,,35508,bmst000194,1
19,,1,1,1,,1,H21,H,,,6.460,,,,L_ornithine,,,35508,bmst000194,1
1,,1,1,1,,1,N1,N,,,38.622,,,,L_selenomethionine,,,35518,bmst000195,1
2,,1,1,1,,1,C2,C,,,59.528,,,,L_selenomethionine,,,35518,bmst000195,1
3,,1,1,1,,1,C3,C,,,187.879,,,,L_selenomethionine,,,35518,bmst000195,1
4,,1,1,1,,1,C6,C,,,34.612,,,,L_selenomethionine,,,35518,bmst000195,1
5,,1,1,1,,1,C7,C,,,31.796,,,,L_selenomethionine,,,35518,bmst000195,1
6,,1,1,1,,1,C9,C,,,13.562,,,,L_selenomethionine,,,35518,bmst000195,1
7,,1,1,1,,1,H10,H,,,2.309,,,,L_selenomethionine,,,35518,bmst000195,1
8,,1,1,1,,1,H11,H,,,0.783,,,,L_selenomethionine,,,35518,bmst000195,1
9,,1,1,1,,1,H12,H,,,4.320,,,,L_selenomethionine,,,35518,bmst000195,1
10,,1,1,1,,1,H13,H,,,6.562,,,,L_selenomethionine,,,35518,bmst000195,1
11,,1,1,1,,1,H14,H,,,2.523,,,,L_selenomethionine,,,35518,bmst000195,1
12,,1,1,1,,1,H15,H,,,3.201,,,,L_selenomethionine,,,35518,bmst000195,1
13,,1,1,1,,1,H16,H,,,3.278,,,,L_selenomethionine,,,35518,bmst000195,1
14,,1,1,1,,1,H17,H,,,4.191,,,,L_selenomethionine,,,35518,bmst000195,1
15,,1,1,1,,1,H18,H,,,2.963,,,,L_selenomethionine,,,35518,bmst000195,1
16,,1,1,1,,1,H19,H,,,2.929,,,,L_selenomethionine,,,35518,bmst000195,1
17,,1,1,1,,1,H20,H,,,2.432,,,,L_selenomethionine,,,35518,bmst000195,1
1,,1,1,1,,1,C1,C,,,79.217,,,,L_tartaric_acid,,,35528,bmst000196,1
2,,1,1,1,,1,C2,C,,,79.217,,,,L_tartaric_acid,,,35528,bmst000196,1
3,,1,1,1,,1,C3,C,,,192.281,,,,L_tartaric_acid,,,35528,bmst000196,1
4,,1,1,1,,1,C4,C,,,192.281,,,,L_tartaric_acid,,,35528,bmst000196,1
5,,1,1,1,,1,H11,H,,,5.551,,,,L_tartaric_acid,,,35528,bmst000196,1
6,,1,1,1,,1,H12,H,,,5.551,,,,L_tartaric_acid,,,35528,bmst000196,1
7,,1,1,1,,1,H13,H,,,4.397,,,,L_tartaric_acid,,,35528,bmst000196,1
8,,1,1,1,,1,H14,H,,,4.397,,,,L_tartaric_acid,,,35528,bmst000196,1
9,,1,1,1,,1,H15,H,,,7.144,,,,L_tartaric_acid,,,35528,bmst000196,1
10,,1,1,1,,1,H16,H,,,7.144,,,,L_tartaric_acid,,,35528,bmst000196,1
1,,1,1,1,,1,C3,C,,,176.573,,,,N_N_dimethylglycine,,,35538,bmst000197,1
2,,1,1,1,,1,C4,C,,,61.261,,,,N_N_dimethylglycine,,,35538,bmst000197,1
3,,1,1,1,,1,N5,N,,,31.316,,,,N_N_dimethylglycine,,,35538,bmst000197,1
4,,1,1,1,,1,C6,C,,,46.925,,,,N_N_dimethylglycine,,,35538,bmst000197,1
5,,1,1,1,,1,C7,C,,,42.574,,,,N_N_dimethylglycine,,,35538,bmst000197,1
6,,1,1,1,,1,H8,H,,,6.256,,,,N_N_dimethylglycine,,,35538,bmst000197,1
7,,1,1,1,,1,H9,H,,,4.095,,,,N_N_dimethylglycine,,,35538,bmst000197,1
8,,1,1,1,,1,H10,H,,,3.148,,,,N_N_dimethylglycine,,,35538,bmst000197,1
9,,1,1,1,,1,H11,H,,,3.384,,,,N_N_dimethylglycine,,,35538,bmst000197,1
10,,1,1,1,,1,H12,H,,,3.608,,,,N_N_dimethylglycine,,,35538,bmst000197,1
11,,1,1,1,,1,H13,H,,,2.865,,,,N_N_dimethylglycine,,,35538,bmst000197,1
12,,1,1,1,,1,H14,H,,,3.349,,,,N_N_dimethylglycine,,,35538,bmst000197,1
13,,1,1,1,,1,H15,H,,,2.264,,,,N_N_dimethylglycine,,,35538,bmst000197,1
14,,1,1,1,,1,H16,H,,,4.319,,,,N_N_dimethylglycine,,,35538,bmst000197,1
1,,1,1,1,,1,C1,C,,,104.367,,,,N_acetyl_D_glucosamine,,,35548,bmst000198,1
2,,1,1,1,,1,C2,C,,,65.395,,,,N_acetyl_D_glucosamine,,,35548,bmst000198,1
3,,1,1,1,,1,C3,C,,,75.289,,,,N_acetyl_D_glucosamine,,,35548,bmst000198,1
4,,1,1,1,,1,C4,C,,,74.752,,,,N_acetyl_D_glucosamine,,,35548,bmst000198,1
5,,1,1,1,,1,C5,C,,,82.792,,,,N_acetyl_D_glucosamine,,,35548,bmst000198,1
6,,1,1,1,,1,C6,C,,,68.389,,,,N_acetyl_D_glucosamine,,,35548,bmst000198,1
7,,1,1,1,,1,C7,C,,,176.795,,,,N_acetyl_D_glucosamine,,,35548,bmst000198,1
8,,1,1,1,,1,C8,C,,,25.009,,,,N_acetyl_D_glucosamine,,,35548,bmst000198,1
9,,1,1,1,,1,N9,N,,,129.906,,,,N_acetyl_D_glucosamine,,,35548,bmst000198,1
10,,1,1,1,,1,H16,H,,,5.361,,,,N_acetyl_D_glucosamine,,,35548,bmst000198,1
11,,1,1,1,,1,H17,H,,,3.660,,,,N_acetyl_D_glucosamine,,,35548,bmst000198,1
12,,1,1,1,,1,H18,H,,,4.205,,,,N_acetyl_D_glucosamine,,,35548,bmst000198,1
13,,1,1,1,,1,H19,H,,,4.183,,,,N_acetyl_D_glucosamine,,,35548,bmst000198,1
14,,1,1,1,,1,H20,H,,,4.449,,,,N_acetyl_D_glucosamine,,,35548,bmst000198,1
15,,1,1,1,,1,H21,H,,,4.896,,,,N_acetyl_D_glucosamine,,,35548,bmst000198,1
16,,1,1,1,,1,H22,H,,,5.234,,,,N_acetyl_D_glucosamine,,,35548,bmst000198,1
17,,1,1,1,,1,H23,H,,,3.373,,,,N_acetyl_D_glucosamine,,,35548,bmst000198,1
18,,1,1,1,,1,H24,H,,,3.434,,,,N_acetyl_D_glucosamine,,,35548,bmst000198,1
19,,1,1,1,,1,H25,H,,,2.558,,,,N_acetyl_D_glucosamine,,,35548,bmst000198,1
20,,1,1,1,,1,H26,H,,,6.209,,,,N_acetyl_D_glucosamine,,,35548,bmst000198,1
21,,1,1,1,,1,H27,H,,,2.242,,,,N_acetyl_D_glucosamine,,,35548,bmst000198,1
22,,1,1,1,,1,H28,H,,,6.889,,,,N_acetyl_D_glucosamine,,,35548,bmst000198,1
23,,1,1,1,,1,H29,H,,,2.715,,,,N_acetyl_D_glucosamine,,,35548,bmst000198,1
24,,1,1,1,,1,H30,H,,,-0.147,,,,N_acetyl_D_glucosamine,,,35548,bmst000198,1
1,,1,1,1,,1,C1,C,,,50.101,,,,N_acetyl_D_glucosamine_1_phosphate,,,35558,bmst000199,1
2,,1,1,1,,1,C2,C,,,95.933,,,,N_acetyl_D_glucosamine_1_phosphate,,,35558,bmst000199,1
3,,1,1,1,,1,C3,C,,,78.338,,,,N_acetyl_D_glucosamine_1_phosphate,,,35558,bmst000199,1
4,,1,1,1,,1,N4,N,,,118.935,,,,N_acetyl_D_glucosamine_1_phosphate,,,35558,bmst000199,1
5,,1,1,1,,1,C7,C,,,71.756,,,,N_acetyl_D_glucosamine_1_phosphate,,,35558,bmst000199,1
6,,1,1,1,,1,C9,C,,,173.614,,,,N_acetyl_D_glucosamine_1_phosphate,,,35558,bmst000199,1
7,,1,1,1,,1,C10,C,,,86.403,,,,N_acetyl_D_glucosamine_1_phosphate,,,35558,bmst000199,1
8,,1,1,1,,1,P11,P,,,4.704,,,,N_acetyl_D_glucosamine_1_phosphate,,,35558,bmst000199,1
9,,1,1,1,,1,C13,C,,,23.665,,,,N_acetyl_D_glucosamine_1_phosphate,,,35558,bmst000199,1
10,,1,1,1,,1,C15,C,,,61.653,,,,N_acetyl_D_glucosamine_1_phosphate,,,35558,bmst000199,1
11,,1,1,1,,1,H20,H,,,5.138,,,,N_acetyl_D_glucosamine_1_phosphate,,,35558,bmst000199,1
12,,1,1,1,,1,H21,H,,,6.477,,,,N_acetyl_D_glucosamine_1_phosphate,,,35558,bmst000199,1
13,,1,1,1,,1,H22,H,,,4.974,,,,N_acetyl_D_glucosamine_1_phosphate,,,35558,bmst000199,1
14,,1,1,1,,1,H23,H,,,6.792,,,,N_acetyl_D_glucosamine_1_phosphate,,,35558,bmst000199,1
15,,1,1,1,,1,H24,H,,,4.373,,,,N_acetyl_D_glucosamine_1_phosphate,,,35558,bmst000199,1
16,,1,1,1,,1,H25,H,,,0.705,,,,N_acetyl_D_glucosamine_1_phosphate,,,35558,bmst000199,1
17,,1,1,1,,1,H26,H,,,5.131,,,,N_acetyl_D_glucosamine_1_phosphate,,,35558,bmst000199,1
18,,1,1,1,,1,H27,H,,,0.333,,,,N_acetyl_D_glucosamine_1_phosphate,,,35558,bmst000199,1
19,,1,1,1,,1,H28,H,,,2.981,,,,N_acetyl_D_glucosamine_1_phosphate,,,35558,bmst000199,1
20,,1,1,1,,1,H29,H,,,3.501,,,,N_acetyl_D_glucosamine_1_phosphate,,,35558,bmst000199,1
21,,1,1,1,,1,H30,H,,,2.534,,,,N_acetyl_D_glucosamine_1_phosphate,,,35558,bmst000199,1
22,,1,1,1,,1,H31,H,,,4.442,,,,N_acetyl_D_glucosamine_1_phosphate,,,35558,bmst000199,1
23,,1,1,1,,1,H32,H,,,5.926,,,,N_acetyl_D_glucosamine_1_phosphate,,,35558,bmst000199,1
24,,1,1,1,,1,H33,H,,,3.621,,,,N_acetyl_D_glucosamine_1_phosphate,,,35558,bmst000199,1
25,,1,1,1,,1,H34,H,,,7.861,,,,N_acetyl_D_glucosamine_1_phosphate,,,35558,bmst000199,1
26,,1,1,1,,1,H35,H,,,0.982,,,,N_acetyl_D_glucosamine_1_phosphate,,,35558,bmst000199,1
1,,1,1,1,,1,C1,C,,,23.267,,,,N_acetyl_D_glucosamine_6_phosphate,,,35568,bmst000200,1
2,,1,1,1,,1,C2,C,,,182.167,,,,N_acetyl_D_glucosamine_6_phosphate,,,35568,bmst000200,1
3,,1,1,1,,1,N4,N,,,128.812,,,,N_acetyl_D_glucosamine_6_phosphate,,,35568,bmst000200,1
4,,1,1,1,,1,C5,C,,,57.193,,,,N_acetyl_D_glucosamine_6_phosphate,,,35568,bmst000200,1
5,,1,1,1,,1,C6,C,,,79.081,,,,N_acetyl_D_glucosamine_6_phosphate,,,35568,bmst000200,1
6,,1,1,1,,1,C7,C,,,76.019,,,,N_acetyl_D_glucosamine_6_phosphate,,,35568,bmst000200,1
7,,1,1,1,,1,C8,C,,,85.150,,,,N_acetyl_D_glucosamine_6_phosphate,,,35568,bmst000200,1
8,,1,1,1,,1,C10,C,,,99.953,,,,N_acetyl_D_glucosamine_6_phosphate,,,35568,bmst000200,1
9,,1,1,1,,1,C12,C,,,66.812,,,,N_acetyl_D_glucosamine_6_phosphate,,,35568,bmst000200,1
10,,1,1,1,,1,P14,P,,,1.125,,,,N_acetyl_D_glucosamine_6_phosphate,,,35568,bmst000200,1
11,,1,1,1,,1,H20,H,,,3.377,,,,N_acetyl_D_glucosamine_6_phosphate,,,35568,bmst000200,1
12,,1,1,1,,1,H21,H,,,3.331,,,,N_acetyl_D_glucosamine_6_phosphate,,,35568,bmst000200,1
13,,1,1,1,,1,H22,H,,,2.633,,,,N_acetyl_D_glucosamine_6_phosphate,,,35568,bmst000200,1
14,,1,1,1,,1,H23,H,,,5.835,,,,N_acetyl_D_glucosamine_6_phosphate,,,35568,bmst000200,1
15,,1,1,1,,1,H24,H,,,5.164,,,,N_acetyl_D_glucosamine_6_phosphate,,,35568,bmst000200,1
16,,1,1,1,,1,H25,H,,,4.189,,,,N_acetyl_D_glucosamine_6_phosphate,,,35568,bmst000200,1
17,,1,1,1,,1,H26,H,,,4.374,,,,N_acetyl_D_glucosamine_6_phosphate,,,35568,bmst000200,1
18,,1,1,1,,1,H27,H,,,5.026,,,,N_acetyl_D_glucosamine_6_phosphate,,,35568,bmst000200,1
19,,1,1,1,,1,H28,H,,,6.152,,,,N_acetyl_D_glucosamine_6_phosphate,,,35568,bmst000200,1
20,,1,1,1,,1,H29,H,,,2.056,,,,N_acetyl_D_glucosamine_6_phosphate,,,35568,bmst000200,1
21,,1,1,1,,1,H30,H,,,5.432,,,,N_acetyl_D_glucosamine_6_phosphate,,,35568,bmst000200,1
22,,1,1,1,,1,H31,H,,,4.653,,,,N_acetyl_D_glucosamine_6_phosphate,,,35568,bmst000200,1
23,,1,1,1,,1,H32,H,,,3.419,,,,N_acetyl_D_glucosamine_6_phosphate,,,35568,bmst000200,1
24,,1,1,1,,1,H33,H,,,3.662,,,,N_acetyl_D_glucosamine_6_phosphate,,,35568,bmst000200,1
25,,1,1,1,,1,H34,H,,,0.264,,,,N_acetyl_D_glucosamine_6_phosphate,,,35568,bmst000200,1
26,,1,1,1,,1,H35,H,,,5.503,,,,N_acetyl_D_glucosamine_6_phosphate,,,35568,bmst000200,1
1,,1,1,1,,1,C1,C,,,18.446,,,,N_acetyl_L_alanine,,,35578,bmst000201,1
2,,1,1,1,,1,C2,C,,,55.974,,,,N_acetyl_L_alanine,,,35578,bmst000201,1
3,,1,1,1,,1,C3,C,,,184.627,,,,N_acetyl_L_alanine,,,35578,bmst000201,1
4,,1,1,1,,1,N6,N,,,127.175,,,,N_acetyl_L_alanine,,,35578,bmst000201,1
5,,1,1,1,,1,C7,C,,,176.091,,,,N_acetyl_L_alanine,,,35578,bmst000201,1
6,,1,1,1,,1,C9,C,,,20.408,,,,N_acetyl_L_alanine,,,35578,bmst000201,1
7,,1,1,1,,1,H10,H,,,2.528,,,,N_acetyl_L_alanine,,,35578,bmst000201,1
8,,1,1,1,,1,H11,H,,,2.811,,,,N_acetyl_L_alanine,,,35578,bmst000201,1
9,,1,1,1,,1,H12,H,,,2.658,,,,N_acetyl_L_alanine,,,35578,bmst000201,1
10,,1,1,1,,1,H13,H,,,4.709,,,,N_acetyl_L_alanine,,,35578,bmst000201,1
11,,1,1,1,,1,H14,H,,,4.894,,,,N_acetyl_L_alanine,,,35578,bmst000201,1
12,,1,1,1,,1,H15,H,,,2.707,,,,N_acetyl_L_alanine,,,35578,bmst000201,1
13,,1,1,1,,1,H16,H,,,3.224,,,,N_acetyl_L_alanine,,,35578,bmst000201,1
14,,1,1,1,,1,H17,H,,,3.447,,,,N_acetyl_L_alanine,,,35578,bmst000201,1
15,,1,1,1,,1,H18,H,,,6.413,,,,N_acetyl_L_alanine,,,35578,bmst000201,1
11,,1,1,1,,1,H13,H,,,8.675,,,,Benzoate,,,35718,bmst000217,1
1,,1,1,1,,1,C1,C,,,23.439,,,,N_acetyl_L_glutamine,,,35588,bmst000202,1
2,,1,1,1,,1,C2,C,,,172.812,,,,N_acetyl_L_glutamine,,,35588,bmst000202,1
3,,1,1,1,,1,N4,N,,,125.183,,,,N_acetyl_L_glutamine,,,35588,bmst000202,1
4,,1,1,1,,1,C5,C,,,54.575,,,,N_acetyl_L_glutamine,,,35588,bmst000202,1
5,,1,1,1,,1,C6,C,,,31.228,,,,N_acetyl_L_glutamine,,,35588,bmst000202,1
6,,1,1,1,,1,C7,C,,,31.457,,,,N_acetyl_L_glutamine,,,35588,bmst000202,1
7,,1,1,1,,1,C8,C,,,175.761,,,,N_acetyl_L_glutamine,,,35588,bmst000202,1
8,,1,1,1,,1,N10,N,,,107.043,,,,N_acetyl_L_glutamine,,,35588,bmst000202,1
9,,1,1,1,,1,C11,C,,,182.592,,,,N_acetyl_L_glutamine,,,35588,bmst000202,1
10,,1,1,1,,1,H14,H,,,3.269,,,,N_acetyl_L_glutamine,,,35588,bmst000202,1
11,,1,1,1,,1,H15,H,,,3.263,,,,N_acetyl_L_glutamine,,,35588,bmst000202,1
12,,1,1,1,,1,H16,H,,,2.452,,,,N_acetyl_L_glutamine,,,35588,bmst000202,1
13,,1,1,1,,1,H17,H,,,6.362,,,,N_acetyl_L_glutamine,,,35588,bmst000202,1
14,,1,1,1,,1,H18,H,,,5.390,,,,N_acetyl_L_glutamine,,,35588,bmst000202,1
15,,1,1,1,,1,H19,H,,,2.780,,,,N_acetyl_L_glutamine,,,35588,bmst000202,1
16,,1,1,1,,1,H20,H,,,3.276,,,,N_acetyl_L_glutamine,,,35588,bmst000202,1
17,,1,1,1,,1,H21,H,,,2.895,,,,N_acetyl_L_glutamine,,,35588,bmst000202,1
18,,1,1,1,,1,H22,H,,,3.376,,,,N_acetyl_L_glutamine,,,35588,bmst000202,1
19,,1,1,1,,1,H23,H,,,4.929,,,,N_acetyl_L_glutamine,,,35588,bmst000202,1
20,,1,1,1,,1,H24,H,,,5.550,,,,N_acetyl_L_glutamine,,,35588,bmst000202,1
21,,1,1,1,,1,H25,H,,,6.596,,,,N_acetyl_L_glutamine,,,35588,bmst000202,1
1,,1,1,1,,1,C1,C,,,55.653,,,,N_alpha_acetyl_DL_ornithine,,,35598,bmst000203,1
2,,1,1,1,,1,N2,N,,,126.029,,,,N_alpha_acetyl_DL_ornithine,,,35598,bmst000203,1
3,,1,1,1,,1,C3,C,,,187.671,,,,N_alpha_acetyl_DL_ornithine,,,35598,bmst000203,1
4,,1,1,1,,1,C4,C,,,32.660,,,,N_alpha_acetyl_DL_ornithine,,,35598,bmst000203,1
5,,1,1,1,,1,C5,C,,,173.084,,,,N_alpha_acetyl_DL_ornithine,,,35598,bmst000203,1
6,,1,1,1,,1,C8,C,,,29.428,,,,N_alpha_acetyl_DL_ornithine,,,35598,bmst000203,1
7,,1,1,1,,1,C9,C,,,23.174,,,,N_alpha_acetyl_DL_ornithine,,,35598,bmst000203,1
8,,1,1,1,,1,C11,C,,,46.440,,,,N_alpha_acetyl_DL_ornithine,,,35598,bmst000203,1
9,,1,1,1,,1,N12,N,,,37.284,,,,N_alpha_acetyl_DL_ornithine,,,35598,bmst000203,1
10,,1,1,1,,1,H13,H,,,5.303,,,,N_alpha_acetyl_DL_ornithine,,,35598,bmst000203,1
11,,1,1,1,,1,H14,H,,,6.578,,,,N_alpha_acetyl_DL_ornithine,,,35598,bmst000203,1
12,,1,1,1,,1,H15,H,,,3.032,,,,N_alpha_acetyl_DL_ornithine,,,35598,bmst000203,1
13,,1,1,1,,1,H16,H,,,2.238,,,,N_alpha_acetyl_DL_ornithine,,,35598,bmst000203,1
14,,1,1,1,,1,H17,H,,,6.727,,,,N_alpha_acetyl_DL_ornithine,,,35598,bmst000203,1
15,,1,1,1,,1,H18,H,,,2.918,,,,N_alpha_acetyl_DL_ornithine,,,35598,bmst000203,1
16,,1,1,1,,1,H19,H,,,2.264,,,,N_alpha_acetyl_DL_ornithine,,,35598,bmst000203,1
17,,1,1,1,,1,H20,H,,,3.268,,,,N_alpha_acetyl_DL_ornithine,,,35598,bmst000203,1
18,,1,1,1,,1,H21,H,,,3.206,,,,N_alpha_acetyl_DL_ornithine,,,35598,bmst000203,1
19,,1,1,1,,1,H22,H,,,2.515,,,,N_alpha_acetyl_DL_ornithine,,,35598,bmst000203,1
20,,1,1,1,,1,H23,H,,,3.499,,,,N_alpha_acetyl_DL_ornithine,,,35598,bmst000203,1
21,,1,1,1,,1,H24,H,,,3.588,,,,N_alpha_acetyl_DL_ornithine,,,35598,bmst000203,1
22,,1,1,1,,1,H25,H,,,0.880,,,,N_alpha_acetyl_DL_ornithine,,,35598,bmst000203,1
23,,1,1,1,,1,H26,H,,,0.261,,,,N_alpha_acetyl_DL_ornithine,,,35598,bmst000203,1
1,,1,1,1,,1,C1,C,,,175.749,,,,acetic_acid,,,35608,bmst000204,1
2,,1,1,1,,1,C4,C,,,23.419,,,,acetic_acid,,,35608,bmst000204,1
3,,1,1,1,,1,H5,H,,,6.653,,,,acetic_acid,,,35608,bmst000204,1
4,,1,1,1,,1,H6,H,,,3.573,,,,acetic_acid,,,35608,bmst000204,1
5,,1,1,1,,1,H7,H,,,3.573,,,,acetic_acid,,,35608,bmst000204,1
6,,1,1,1,,1,H8,H,,,2.352,,,,acetic_acid,,,35608,bmst000204,1
1,,1,1,1,,1,C1,C,,,78.834,,,,acetylcarnitine,,,35618,bmst000206,1
2,,1,1,1,,1,C2,C,,,79.258,,,,acetylcarnitine,,,35618,bmst000206,1
3,,1,1,1,,1,C3,C,,,37.131,,,,acetylcarnitine,,,35618,bmst000206,1
4,,1,1,1,,1,C4,C,,,170.744,,,,acetylcarnitine,,,35618,bmst000206,1
5,,1,1,1,,1,C8,C,,,196.568,,,,acetylcarnitine,,,35618,bmst000206,1
6,,1,1,1,,1,C9,C,,,26.077,,,,acetylcarnitine,,,35618,bmst000206,1
7,,1,1,1,,1,N11,N,,,58.079,,,,acetylcarnitine,,,35618,bmst000206,1
8,,1,1,1,,1,C12,C,,,59.335,,,,acetylcarnitine,,,35618,bmst000206,1
9,,1,1,1,,1,C13,C,,,52.774,,,,acetylcarnitine,,,35618,bmst000206,1
10,,1,1,1,,1,C14,C,,,54.539,,,,acetylcarnitine,,,35618,bmst000206,1
11,,1,1,1,,1,H15,H,,,3.947,,,,acetylcarnitine,,,35618,bmst000206,1
12,,1,1,1,,1,H16,H,,,4.392,,,,acetylcarnitine,,,35618,bmst000206,1
13,,1,1,1,,1,H17,H,,,6.477,,,,acetylcarnitine,,,35618,bmst000206,1
14,,1,1,1,,1,H18,H,,,2.543,,,,acetylcarnitine,,,35618,bmst000206,1
15,,1,1,1,,1,H19,H,,,3.079,,,,acetylcarnitine,,,35618,bmst000206,1
16,,1,1,1,,1,H20,H,,,5.497,,,,acetylcarnitine,,,35618,bmst000206,1
17,,1,1,1,,1,H21,H,,,3.208,,,,acetylcarnitine,,,35618,bmst000206,1
18,,1,1,1,,1,H22,H,,,2.906,,,,acetylcarnitine,,,35618,bmst000206,1
19,,1,1,1,,1,H23,H,,,3.996,,,,acetylcarnitine,,,35618,bmst000206,1
20,,1,1,1,,1,H24,H,,,3.849,,,,acetylcarnitine,,,35618,bmst000206,1
21,,1,1,1,,1,H25,H,,,3.672,,,,acetylcarnitine,,,35618,bmst000206,1
22,,1,1,1,,1,H26,H,,,3.641,,,,acetylcarnitine,,,35618,bmst000206,1
23,,1,1,1,,1,H27,H,,,3.495,,,,acetylcarnitine,,,35618,bmst000206,1
24,,1,1,1,,1,H28,H,,,7.121,,,,acetylcarnitine,,,35618,bmst000206,1
25,,1,1,1,,1,H29,H,,,3.346,,,,acetylcarnitine,,,35618,bmst000206,1
26,,1,1,1,,1,H30,H,,,3.602,,,,acetylcarnitine,,,35618,bmst000206,1
27,,1,1,1,,1,H31,H,,,5.754,,,,acetylcarnitine,,,35618,bmst000206,1
1,,1,1,1,,1,H1,H,,,8.539,,,,1_amino_1_phenylmethyl_phosphonic_acid,,,35628,bmst000208,1
2,,1,1,1,,1,H2,H,,,8.637,,,,1_amino_1_phenylmethyl_phosphonic_acid,,,35628,bmst000208,1
3,,1,1,1,,1,H3,H,,,8.505,,,,1_amino_1_phenylmethyl_phosphonic_acid,,,35628,bmst000208,1
4,,1,1,1,,1,H4,H,,,9.033,,,,1_amino_1_phenylmethyl_phosphonic_acid,,,35628,bmst000208,1
5,,1,1,1,,1,H5,H,,,8.292,,,,1_amino_1_phenylmethyl_phosphonic_acid,,,35628,bmst000208,1
6,,1,1,1,,1,H6,H,,,4.436,,,,1_amino_1_phenylmethyl_phosphonic_acid,,,35628,bmst000208,1
7,,1,1,1,,1,H7,H,,,1.642,,,,1_amino_1_phenylmethyl_phosphonic_acid,,,35628,bmst000208,1
8,,1,1,1,,1,H8,H,,,1.957,,,,1_amino_1_phenylmethyl_phosphonic_acid,,,35628,bmst000208,1
9,,1,1,1,,1,H9,H,,,8.618,,,,1_amino_1_phenylmethyl_phosphonic_acid,,,35628,bmst000208,1
10,,1,1,1,,1,H10,H,,,3.514,,,,1_amino_1_phenylmethyl_phosphonic_acid,,,35628,bmst000208,1
11,,1,1,1,,1,C11,C,,,135.485,,,,1_amino_1_phenylmethyl_phosphonic_acid,,,35628,bmst000208,1
12,,1,1,1,,1,C12,C,,,136.178,,,,1_amino_1_phenylmethyl_phosphonic_acid,,,35628,bmst000208,1
13,,1,1,1,,1,C13,C,,,134.917,,,,1_amino_1_phenylmethyl_phosphonic_acid,,,35628,bmst000208,1
14,,1,1,1,,1,C14,C,,,134.314,,,,1_amino_1_phenylmethyl_phosphonic_acid,,,35628,bmst000208,1
15,,1,1,1,,1,C15,C,,,136.601,,,,1_amino_1_phenylmethyl_phosphonic_acid,,,35628,bmst000208,1
16,,1,1,1,,1,C16,C,,,143.517,,,,1_amino_1_phenylmethyl_phosphonic_acid,,,35628,bmst000208,1
17,,1,1,1,,1,C17,C,,,60.436,,,,1_amino_1_phenylmethyl_phosphonic_acid,,,35628,bmst000208,1
18,,1,1,1,,1,N18,N,,,43.957,,,,1_amino_1_phenylmethyl_phosphonic_acid,,,35628,bmst000208,1
19,,1,1,1,,1,P22,P,,,27.668,,,,1_amino_1_phenylmethyl_phosphonic_acid,,,35628,bmst000208,1
1,,1,1,1,,1,C5,C,,,44.082,,,,3_4_Hydroxyphenyl_pyruvate,,,35638,bmst000209,1
2,,1,1,1,,1,C6,C,,,169.022,,,,3_4_Hydroxyphenyl_pyruvate,,,35638,bmst000209,1
3,,1,1,1,,1,C7,C,,,214.670,,,,3_4_Hydroxyphenyl_pyruvate,,,35638,bmst000209,1
4,,1,1,1,,1,C8,C,,,166.401,,,,3_4_Hydroxyphenyl_pyruvate,,,35638,bmst000209,1
5,,1,1,1,,1,C9,C,,,125.789,,,,3_4_Hydroxyphenyl_pyruvate,,,35638,bmst000209,1
6,,1,1,1,,1,C10,C,,,120.542,,,,3_4_Hydroxyphenyl_pyruvate,,,35638,bmst000209,1
7,,1,1,1,,1,C11,C,,,122.739,,,,3_4_Hydroxyphenyl_pyruvate,,,35638,bmst000209,1
8,,1,1,1,,1,C12,C,,,139.847,,,,3_4_Hydroxyphenyl_pyruvate,,,35638,bmst000209,1
9,,1,1,1,,1,C13,C,,,140.825,,,,3_4_Hydroxyphenyl_pyruvate,,,35638,bmst000209,1
10,,1,1,1,,1,H14,H,,,10.602,,,,3_4_Hydroxyphenyl_pyruvate,,,35638,bmst000209,1
11,,1,1,1,,1,H15,H,,,4.530,,,,3_4_Hydroxyphenyl_pyruvate,,,35638,bmst000209,1
12,,1,1,1,,1,H16,H,,,5.733,,,,3_4_Hydroxyphenyl_pyruvate,,,35638,bmst000209,1
13,,1,1,1,,1,H17,H,,,4.426,,,,3_4_Hydroxyphenyl_pyruvate,,,35638,bmst000209,1
14,,1,1,1,,1,H18,H,,,7.481,,,,3_4_Hydroxyphenyl_pyruvate,,,35638,bmst000209,1
15,,1,1,1,,1,H19,H,,,8.115,,,,3_4_Hydroxyphenyl_pyruvate,,,35638,bmst000209,1
16,,1,1,1,,1,H20,H,,,8.986,,,,3_4_Hydroxyphenyl_pyruvate,,,35638,bmst000209,1
17,,1,1,1,,1,H21,H,,,8.595,,,,3_4_Hydroxyphenyl_pyruvate,,,35638,bmst000209,1
1,,1,1,1,,1,C3,C,,,201.650,,,,4_Hydroxybenzaldehyde,,,35648,bmst000210,1
2,,1,1,1,,1,C4,C,,,171.137,,,,4_Hydroxybenzaldehyde,,,35648,bmst000210,1
3,,1,1,1,,1,C5,C,,,135.499,,,,4_Hydroxybenzaldehyde,,,35648,bmst000210,1
4,,1,1,1,,1,C6,C,,,121.857,,,,4_Hydroxybenzaldehyde,,,35648,bmst000210,1
5,,1,1,1,,1,C7,C,,,120.452,,,,4_Hydroxybenzaldehyde,,,35648,bmst000210,1
6,,1,1,1,,1,C8,C,,,143.535,,,,4_Hydroxybenzaldehyde,,,35648,bmst000210,1
7,,1,1,1,,1,C9,C,,,136.715,,,,4_Hydroxybenzaldehyde,,,35648,bmst000210,1
8,,1,1,1,,1,H10,H,,,5.067,,,,4_Hydroxybenzaldehyde,,,35648,bmst000210,1
9,,1,1,1,,1,H11,H,,,11.241,,,,4_Hydroxybenzaldehyde,,,35648,bmst000210,1
10,,1,1,1,,1,H12,H,,,8.276,,,,4_Hydroxybenzaldehyde,,,35648,bmst000210,1
11,,1,1,1,,1,H13,H,,,7.638,,,,4_Hydroxybenzaldehyde,,,35648,bmst000210,1
12,,1,1,1,,1,H14,H,,,8.800,,,,4_Hydroxybenzaldehyde,,,35648,bmst000210,1
13,,1,1,1,,1,H15,H,,,9.515,,,,4_Hydroxybenzaldehyde,,,35648,bmst000210,1
1,,1,1,1,,1,N5,N,,,389.694,,,,4_Nitrocatechol,,,35658,bmst000211,1
2,,1,1,1,,1,C6,C,,,154.939,,,,4_Nitrocatechol,,,35658,bmst000211,1
3,,1,1,1,,1,C7,C,,,161.450,,,,4_Nitrocatechol,,,35658,bmst000211,1
4,,1,1,1,,1,C8,C,,,153.571,,,,4_Nitrocatechol,,,35658,bmst000211,1
5,,1,1,1,,1,C9,C,,,116.799,,,,4_Nitrocatechol,,,35658,bmst000211,1
6,,1,1,1,,1,C10,C,,,120.084,,,,4_Nitrocatechol,,,35658,bmst000211,1
7,,1,1,1,,1,C11,C,,,123.328,,,,4_Nitrocatechol,,,35658,bmst000211,1
8,,1,1,1,,1,H12,H,,,4.735,,,,4_Nitrocatechol,,,35658,bmst000211,1
9,,1,1,1,,1,H13,H,,,5.022,,,,4_Nitrocatechol,,,35658,bmst000211,1
10,,1,1,1,,1,H14,H,,,8.749,,,,4_Nitrocatechol,,,35658,bmst000211,1
11,,1,1,1,,1,H15,H,,,7.547,,,,4_Nitrocatechol,,,35658,bmst000211,1
12,,1,1,1,,1,H16,H,,,9.187,,,,4_Nitrocatechol,,,35658,bmst000211,1
1,,1,1,1,,1,P1,P,,,4.122,,,,4_Nitrophenyl_phosphate,,,35668,bmst000212,1
2,,1,1,1,,1,N8,N,,,389.620,,,,4_Nitrophenyl_phosphate,,,35668,bmst000212,1
3,,1,1,1,,1,C9,C,,,167.775,,,,4_Nitrophenyl_phosphate,,,35668,bmst000212,1
4,,1,1,1,,1,C10,C,,,156.686,,,,4_Nitrophenyl_phosphate,,,35668,bmst000212,1
5,,1,1,1,,1,C11,C,,,129.126,,,,4_Nitrophenyl_phosphate,,,35668,bmst000212,1
6,,1,1,1,,1,C12,C,,,126.981,,,,4_Nitrophenyl_phosphate,,,35668,bmst000212,1
7,,1,1,1,,1,C13,C,,,132.989,,,,4_Nitrophenyl_phosphate,,,35668,bmst000212,1
8,,1,1,1,,1,C14,C,,,133.085,,,,4_Nitrophenyl_phosphate,,,35668,bmst000212,1
9,,1,1,1,,1,H15,H,,,4.481,,,,4_Nitrophenyl_phosphate,,,35668,bmst000212,1
10,,1,1,1,,1,H16,H,,,4.076,,,,4_Nitrophenyl_phosphate,,,35668,bmst000212,1
11,,1,1,1,,1,H17,H,,,8.644,,,,4_Nitrophenyl_phosphate,,,35668,bmst000212,1
12,,1,1,1,,1,H18,H,,,9.375,,,,4_Nitrophenyl_phosphate,,,35668,bmst000212,1
13,,1,1,1,,1,H19,H,,,9.778,,,,4_Nitrophenyl_phosphate,,,35668,bmst000212,1
14,,1,1,1,,1,H20,H,,,9.677,,,,4_Nitrophenyl_phosphate,,,35668,bmst000212,1
1,,1,1,1,,1,C1,C,,,133.418,,,,4_nitrophenol,,,35678,bmst000213,1
2,,1,1,1,,1,C2,C,,,134.267,,,,4_nitrophenol,,,35678,bmst000213,1
3,,1,1,1,,1,C3,C,,,119.429,,,,4_nitrophenol,,,35678,bmst000213,1
4,,1,1,1,,1,C4,C,,,122.293,,,,4_nitrophenol,,,35678,bmst000213,1
5,,1,1,1,,1,C5,C,,,154.033,,,,4_nitrophenol,,,35678,bmst000213,1
6,,1,1,1,,1,C6,C,,,171.762,,,,4_nitrophenol,,,35678,bmst000213,1
7,,1,1,1,,1,N7,N,,,389.935,,,,4_nitrophenol,,,35678,bmst000213,1
8,,1,1,1,,1,H11,H,,,9.639,,,,4_nitrophenol,,,35678,bmst000213,1
9,,1,1,1,,1,H12,H,,,9.743,,,,4_nitrophenol,,,35678,bmst000213,1
10,,1,1,1,,1,H13,H,,,7.588,,,,4_nitrophenol,,,35678,bmst000213,1
11,,1,1,1,,1,H14,H,,,8.295,,,,4_nitrophenol,,,35678,bmst000213,1
12,,1,1,1,,1,H15,H,,,5.264,,,,4_nitrophenol,,,35678,bmst000213,1
1,,1,1,1,,1,C1,C,,,25.677,,,,5_acetylamino_2_nitrobenzoic_acid,,,35688,bmst000214,1
2,,1,1,1,,1,C2,C,,,122.083,,,,5_acetylamino_2_nitrobenzoic_acid,,,35688,bmst000214,1
3,,1,1,1,,1,C3,C,,,132.870,,,,5_acetylamino_2_nitrobenzoic_acid,,,35688,bmst000214,1
4,,1,1,1,,1,C4,C,,,126.461,,,,5_acetylamino_2_nitrobenzoic_acid,,,35688,bmst000214,1
5,,1,1,1,,1,C5,C,,,150.307,,,,5_acetylamino_2_nitrobenzoic_acid,,,35688,bmst000214,1
6,,1,1,1,,1,C6,C,,,156.241,,,,5_acetylamino_2_nitrobenzoic_acid,,,35688,bmst000214,1
7,,1,1,1,,1,C7,C,,,140.813,,,,5_acetylamino_2_nitrobenzoic_acid,,,35688,bmst000214,1
8,,1,1,1,,1,C8,C,,,175.498,,,,5_acetylamino_2_nitrobenzoic_acid,,,35688,bmst000214,1
9,,1,1,1,,1,C9,C,,,180.264,,,,5_acetylamino_2_nitrobenzoic_acid,,,35688,bmst000214,1
10,,1,1,1,,1,N10,N,,,149.698,,,,5_acetylamino_2_nitrobenzoic_acid,,,35688,bmst000214,1
11,,1,1,1,,1,N11,N,,,390.472,,,,5_acetylamino_2_nitrobenzoic_acid,,,35688,bmst000214,1
12,,1,1,1,,1,H17,H,,,3.897,,,,5_acetylamino_2_nitrobenzoic_acid,,,35688,bmst000214,1
13,,1,1,1,,1,H18,H,,,3.667,,,,5_acetylamino_2_nitrobenzoic_acid,,,35688,bmst000214,1
14,,1,1,1,,1,H19,H,,,2.808,,,,5_acetylamino_2_nitrobenzoic_acid,,,35688,bmst000214,1
15,,1,1,1,,1,H20,H,,,7.747,,,,5_acetylamino_2_nitrobenzoic_acid,,,35688,bmst000214,1
16,,1,1,1,,1,H21,H,,,9.432,,,,5_acetylamino_2_nitrobenzoic_acid,,,35688,bmst000214,1
17,,1,1,1,,1,H22,H,,,10.783,,,,5_acetylamino_2_nitrobenzoic_acid,,,35688,bmst000214,1
18,,1,1,1,,1,H23,H,,,7.234,,,,5_acetylamino_2_nitrobenzoic_acid,,,35688,bmst000214,1
19,,1,1,1,,1,H24,H,,,6.841,,,,5_acetylamino_2_nitrobenzoic_acid,,,35688,bmst000214,1
1,,1,1,1,,1,C2,C,,,21.969,,,,Acetophenone,,,35698,bmst000215,1
2,,1,1,1,,1,C3,C,,,211.390,,,,Acetophenone,,,35698,bmst000215,1
3,,1,1,1,,1,C4,C,,,142.925,,,,Acetophenone,,,35698,bmst000215,1
4,,1,1,1,,1,C5,C,,,136.157,,,,Acetophenone,,,35698,bmst000215,1
5,,1,1,1,,1,C6,C,,,136.570,,,,Acetophenone,,,35698,bmst000215,1
6,,1,1,1,,1,C7,C,,,135.084,,,,Acetophenone,,,35698,bmst000215,1
7,,1,1,1,,1,C8,C,,,135.686,,,,Acetophenone,,,35698,bmst000215,1
8,,1,1,1,,1,C9,C,,,140.177,,,,Acetophenone,,,35698,bmst000215,1
9,,1,1,1,,1,H10,H,,,3.317,,,,Acetophenone,,,35698,bmst000215,1
10,,1,1,1,,1,H11,H,,,3.317,,,,Acetophenone,,,35698,bmst000215,1
11,,1,1,1,,1,H12,H,,,4.252,,,,Acetophenone,,,35698,bmst000215,1
12,,1,1,1,,1,H13,H,,,9.071,,,,Acetophenone,,,35698,bmst000215,1
13,,1,1,1,,1,H14,H,,,9.740,,,,Acetophenone,,,35698,bmst000215,1
14,,1,1,1,,1,H15,H,,,8.705,,,,Acetophenone,,,35698,bmst000215,1
15,,1,1,1,,1,H16,H,,,8.778,,,,Acetophenone,,,35698,bmst000215,1
16,,1,1,1,,1,H17,H,,,8.742,,,,Acetophenone,,,35698,bmst000215,1
1,,1,1,1,,1,P1,P,,,2.037,,,,Acetyl_phosphate,,,35708,bmst000216,1
2,,1,1,1,,1,C7,C,,,22.316,,,,Acetyl_phosphate,,,35708,bmst000216,1
3,,1,1,1,,1,C8,C,,,172.303,,,,Acetyl_phosphate,,,35708,bmst000216,1
4,,1,1,1,,1,H9,H,,,4.137,,,,Acetyl_phosphate,,,35708,bmst000216,1
5,,1,1,1,,1,H10,H,,,4.018,,,,Acetyl_phosphate,,,35708,bmst000216,1
6,,1,1,1,,1,H11,H,,,3.583,,,,Acetyl_phosphate,,,35708,bmst000216,1
7,,1,1,1,,1,H12,H,,,3.076,,,,Acetyl_phosphate,,,35708,bmst000216,1
8,,1,1,1,,1,H13,H,,,4.138,,,,Acetyl_phosphate,,,35708,bmst000216,1
1,,1,1,1,,1,C3,C,,,175.835,,,,Benzoate,,,35718,bmst000217,1
2,,1,1,1,,1,C4,C,,,139.197,,,,Benzoate,,,35718,bmst000217,1
3,,1,1,1,,1,C5,C,,,130.429,,,,Benzoate,,,35718,bmst000217,1
4,,1,1,1,,1,C6,C,,,139.250,,,,Benzoate,,,35718,bmst000217,1
5,,1,1,1,,1,C7,C,,,135.174,,,,Benzoate,,,35718,bmst000217,1
6,,1,1,1,,1,C8,C,,,136.977,,,,Benzoate,,,35718,bmst000217,1
7,,1,1,1,,1,C9,C,,,139.842,,,,Benzoate,,,35718,bmst000217,1
8,,1,1,1,,1,H10,H,,,7.719,,,,Benzoate,,,35718,bmst000217,1
9,,1,1,1,,1,H11,H,,,8.499,,,,Benzoate,,,35718,bmst000217,1
10,,1,1,1,,1,H12,H,,,9.556,,,,Benzoate,,,35718,bmst000217,1
12,,1,1,1,,1,H14,H,,,8.812,,,,Benzoate,,,35718,bmst000217,1
13,,1,1,1,,1,H15,H,,,8.771,,,,Benzoate,,,35718,bmst000217,1
1,,1,1,1,,1,N1,N,,,309.479,,,,Benzonitrile,,,35728,bmst000218,1
2,,1,1,1,,1,C2,C,,,121.743,,,,Benzonitrile,,,35728,bmst000218,1
3,,1,1,1,,1,C3,C,,,141.051,,,,Benzonitrile,,,35728,bmst000218,1
4,,1,1,1,,1,C4,C,,,141.051,,,,Benzonitrile,,,35728,bmst000218,1
5,,1,1,1,,1,C5,C,,,135.661,,,,Benzonitrile,,,35728,bmst000218,1
6,,1,1,1,,1,C6,C,,,135.661,,,,Benzonitrile,,,35728,bmst000218,1
7,,1,1,1,,1,C7,C,,,138.678,,,,Benzonitrile,,,35728,bmst000218,1
8,,1,1,1,,1,C8,C,,,128.892,,,,Benzonitrile,,,35728,bmst000218,1
9,,1,1,1,,1,H9,H,,,9.060,,,,Benzonitrile,,,35728,bmst000218,1
10,,1,1,1,,1,H10,H,,,9.060,,,,Benzonitrile,,,35728,bmst000218,1
11,,1,1,1,,1,H11,H,,,8.726,,,,Benzonitrile,,,35728,bmst000218,1
12,,1,1,1,,1,H12,H,,,8.726,,,,Benzonitrile,,,35728,bmst000218,1
13,,1,1,1,,1,H13,H,,,8.792,,,,Benzonitrile,,,35728,bmst000218,1
1,,1,1,1,,1,P1,P,,,-20.723,,,,CDP,,,35738,bmst000219,1
2,,1,1,1,,1,P2,P,,,-8.812,,,,CDP,,,35738,bmst000219,1
3,,1,1,1,,1,N14,N,,,94.219,,,,CDP,,,35738,bmst000219,1
4,,1,1,1,,1,N15,N,,,162.219,,,,CDP,,,35738,bmst000219,1
5,,1,1,1,,1,N16,N,,,233.409,,,,CDP,,,35738,bmst000219,1
6,,1,1,1,,1,C17,C,,,72.177,,,,CDP,,,35738,bmst000219,1
7,,1,1,1,,1,C18,C,,,98.711,,,,CDP,,,35738,bmst000219,1
8,,1,1,1,,1,C19,C,,,93.868,,,,CDP,,,35738,bmst000219,1
9,,1,1,1,,1,C20,C,,,82.294,,,,CDP,,,35738,bmst000219,1
10,,1,1,1,,1,C21,C,,,73.720,,,,CDP,,,35738,bmst000219,1
11,,1,1,1,,1,C22,C,,,163.524,,,,CDP,,,35738,bmst000219,1
12,,1,1,1,,1,C23,C,,,168.979,,,,CDP,,,35738,bmst000219,1
13,,1,1,1,,1,C24,C,,,151.380,,,,CDP,,,35738,bmst000219,1
14,,1,1,1,,1,C25,C,,,98.468,,,,CDP,,,35738,bmst000219,1
15,,1,1,1,,1,H26,H,,,4.316,,,,CDP,,,35738,bmst000219,1
16,,1,1,1,,1,H27,H,,,4.144,,,,CDP,,,35738,bmst000219,1
17,,1,1,1,,1,H28,H,,,7.748,,,,CDP,,,35738,bmst000219,1
18,,1,1,1,,1,H29,H,,,7.516,,,,CDP,,,35738,bmst000219,1
19,,1,1,1,,1,H30,H,,,4.065,,,,CDP,,,35738,bmst000219,1
20,,1,1,1,,1,H31,H,,,5.415,,,,CDP,,,35738,bmst000219,1
21,,1,1,1,,1,H32,H,,,5.004,,,,CDP,,,35738,bmst000219,1
22,,1,1,1,,1,H33,H,,,5.382,,,,CDP,,,35738,bmst000219,1
23,,1,1,1,,1,H34,H,,,5.313,,,,CDP,,,35738,bmst000219,1
24,,1,1,1,,1,H35,H,,,6.869,,,,CDP,,,35738,bmst000219,1
25,,1,1,1,,1,H36,H,,,5.765,,,,CDP,,,35738,bmst000219,1
26,,1,1,1,,1,H37,H,,,4.457,,,,CDP,,,35738,bmst000219,1
27,,1,1,1,,1,H38,H,,,4.659,,,,CDP,,,35738,bmst000219,1
28,,1,1,1,,1,H39,H,,,9.879,,,,CDP,,,35738,bmst000219,1
29,,1,1,1,,1,H40,H,,,7.136,,,,CDP,,,35738,bmst000219,1
1,,1,1,1,,1,P1,P,,,-11.032,,,,CTP,,,35748,bmst000220,1
2,,1,1,1,,1,P2,P,,,-5.377,,,,CTP,,,35748,bmst000220,1
3,,1,1,1,,1,P3,P,,,-6.896,,,,CTP,,,35748,bmst000220,1
4,,1,1,1,,1,N18,N,,,93.117,,,,CTP,,,35748,bmst000220,1
5,,1,1,1,,1,N19,N,,,168.806,,,,CTP,,,35748,bmst000220,1
6,,1,1,1,,1,N20,N,,,236.235,,,,CTP,,,35748,bmst000220,1
7,,1,1,1,,1,C21,C,,,74.474,,,,CTP,,,35748,bmst000220,1
8,,1,1,1,,1,C22,C,,,102.306,,,,CTP,,,35748,bmst000220,1
9,,1,1,1,,1,C23,C,,,91.337,,,,CTP,,,35748,bmst000220,1
10,,1,1,1,,1,C24,C,,,83.140,,,,CTP,,,35748,bmst000220,1
11,,1,1,1,,1,C25,C,,,77.500,,,,CTP,,,35748,bmst000220,1
12,,1,1,1,,1,C26,C,,,162.932,,,,CTP,,,35748,bmst000220,1
13,,1,1,1,,1,C27,C,,,169.000,,,,CTP,,,35748,bmst000220,1
14,,1,1,1,,1,C28,C,,,149.428,,,,CTP,,,35748,bmst000220,1
15,,1,1,1,,1,C29,C,,,96.046,,,,CTP,,,35748,bmst000220,1
16,,1,1,1,,1,H30,H,,,9.653,,,,CTP,,,35748,bmst000220,1
17,,1,1,1,,1,H31,H,,,8.761,,,,CTP,,,35748,bmst000220,1
18,,1,1,1,,1,H32,H,,,4.778,,,,CTP,,,35748,bmst000220,1
19,,1,1,1,,1,H33,H,,,11.477,,,,CTP,,,35748,bmst000220,1
20,,1,1,1,,1,H34,H,,,7.323,,,,CTP,,,35748,bmst000220,1
21,,1,1,1,,1,H35,H,,,3.845,,,,CTP,,,35748,bmst000220,1
22,,1,1,1,,1,H36,H,,,5.363,,,,CTP,,,35748,bmst000220,1
23,,1,1,1,,1,H37,H,,,4.861,,,,CTP,,,35748,bmst000220,1
24,,1,1,1,,1,H38,H,,,5.492,,,,CTP,,,35748,bmst000220,1
25,,1,1,1,,1,H39,H,,,4.973,,,,CTP,,,35748,bmst000220,1
26,,1,1,1,,1,H40,H,,,6.710,,,,CTP,,,35748,bmst000220,1
27,,1,1,1,,1,H41,H,,,5.670,,,,CTP,,,35748,bmst000220,1
28,,1,1,1,,1,H42,H,,,4.535,,,,CTP,,,35748,bmst000220,1
29,,1,1,1,,1,H43,H,,,4.764,,,,CTP,,,35748,bmst000220,1
30,,1,1,1,,1,H44,H,,,9.434,,,,CTP,,,35748,bmst000220,1
31,,1,1,1,,1,H45,H,,,6.795,,,,CTP,,,35748,bmst000220,1
1,,1,1,1,,1,N2,N,,,53.924,,,,Choline,,,35758,bmst000221,1
2,,1,1,1,,1,C3,C,,,58.874,,,,Choline,,,35758,bmst000221,1
3,,1,1,1,,1,C4,C,,,70.694,,,,Choline,,,35758,bmst000221,1
4,,1,1,1,,1,C5,C,,,61.327,,,,Choline,,,35758,bmst000221,1
5,,1,1,1,,1,C6,C,,,55.307,,,,Choline,,,35758,bmst000221,1
6,,1,1,1,,1,C7,C,,,55.307,,,,Choline,,,35758,bmst000221,1
7,,1,1,1,,1,H8,H,,,1.385,,,,Choline,,,35758,bmst000221,1
8,,1,1,1,,1,H9,H,,,5.280,,,,Choline,,,35758,bmst000221,1
9,,1,1,1,,1,H10,H,,,5.280,,,,Choline,,,35758,bmst000221,1
10,,1,1,1,,1,H11,H,,,4.438,,,,Choline,,,35758,bmst000221,1
11,,1,1,1,,1,H12,H,,,4.438,,,,Choline,,,35758,bmst000221,1
12,,1,1,1,,1,H13,H,,,4.453,,,,Choline,,,35758,bmst000221,1
13,,1,1,1,,1,H14,H,,,4.453,,,,Choline,,,35758,bmst000221,1
14,,1,1,1,,1,H15,H,,,4.209,,,,Choline,,,35758,bmst000221,1
15,,1,1,1,,1,H16,H,,,4.227,,,,Choline,,,35758,bmst000221,1
16,,1,1,1,,1,H17,H,,,4.362,,,,Choline,,,35758,bmst000221,1
17,,1,1,1,,1,H18,H,,,4.227,,,,Choline,,,35758,bmst000221,1
18,,1,1,1,,1,H19,H,,,4.209,,,,Choline,,,35758,bmst000221,1
19,,1,1,1,,1,H20,H,,,4.362,,,,Choline,,,35758,bmst000221,1
20,,1,1,1,,1,H21,H,,,4.313,,,,Choline,,,35758,bmst000221,1
1,,1,1,1,,1,P2,P,,,-0.779,,,,CoA,,,35768,bmst000222,1
2,,1,1,1,,1,P3,P,,,6.854,,,,CoA,,,35768,bmst000222,1
3,,1,1,1,,1,P4,P,,,6.908,,,,CoA,,,35768,bmst000222,1
4,,1,1,1,,1,N21,N,,,124.319,,,,CoA,,,35768,bmst000222,1
5,,1,1,1,,1,N22,N,,,122.183,,,,CoA,,,35768,bmst000222,1
6,,1,1,1,,1,N23,N,,,96.385,,,,CoA,,,35768,bmst000222,1
7,,1,1,1,,1,N24,N,,,180.164,,,,CoA,,,35768,bmst000222,1
8,,1,1,1,,1,N25,N,,,245.883,,,,CoA,,,35768,bmst000222,1
9,,1,1,1,,1,N26,N,,,258.827,,,,CoA,,,35768,bmst000222,1
10,,1,1,1,,1,N27,N,,,226.683,,,,CoA,,,35768,bmst000222,1
11,,1,1,1,,1,C28,C,,,41.745,,,,CoA,,,35768,bmst000222,1
12,,1,1,1,,1,C29,C,,,85.025,,,,CoA,,,35768,bmst000222,1
13,,1,1,1,,1,C30,C,,,24.885,,,,CoA,,,35768,bmst000222,1
14,,1,1,1,,1,C31,C,,,85.931,,,,CoA,,,35768,bmst000222,1
15,,1,1,1,,1,C32,C,,,39.778,,,,CoA,,,35768,bmst000222,1
16,,1,1,1,,1,C33,C,,,39.086,,,,CoA,,,35768,bmst000222,1
17,,1,1,1,,1,C34,C,,,73.785,,,,CoA,,,35768,bmst000222,1
18,,1,1,1,,1,C35,C,,,37.208,,,,CoA,,,35768,bmst000222,1
19,,1,1,1,,1,C36,C,,,16.800,,,,CoA,,,35768,bmst000222,1
20,,1,1,1,,1,C37,C,,,22.143,,,,CoA,,,35768,bmst000222,1
21,,1,1,1,,1,C38,C,,,101.012,,,,CoA,,,35768,bmst000222,1
22,,1,1,1,,1,C39,C,,,91.271,,,,CoA,,,35768,bmst000222,1
23,,1,1,1,,1,C40,C,,,85.900,,,,CoA,,,35768,bmst000222,1
24,,1,1,1,,1,C41,C,,,83.802,,,,CoA,,,35768,bmst000222,1
25,,1,1,1,,1,C42,C,,,183.564,,,,CoA,,,35768,bmst000222,1
26,,1,1,1,,1,C43,C,,,175.424,,,,CoA,,,35768,bmst000222,1
27,,1,1,1,,1,C44,C,,,160.652,,,,CoA,,,35768,bmst000222,1
28,,1,1,1,,1,C45,C,,,154.217,,,,CoA,,,35768,bmst000222,1
29,,1,1,1,,1,C46,C,,,124.127,,,,CoA,,,35768,bmst000222,1
30,,1,1,1,,1,C47,C,,,145.021,,,,CoA,,,35768,bmst000222,1
31,,1,1,1,,1,C48,C,,,160.241,,,,CoA,,,35768,bmst000222,1
32,,1,1,1,,1,H49,H,,,3.433,,,,CoA,,,35768,bmst000222,1
33,,1,1,1,,1,H50,H,,,6.709,,,,CoA,,,35768,bmst000222,1
34,,1,1,1,,1,H51,H,,,7.719,,,,CoA,,,35768,bmst000222,1
35,,1,1,1,,1,H52,H,,,4.257,,,,CoA,,,35768,bmst000222,1
36,,1,1,1,,1,H53,H,,,3.746,,,,CoA,,,35768,bmst000222,1
37,,1,1,1,,1,H54,H,,,7.298,,,,CoA,,,35768,bmst000222,1
38,,1,1,1,,1,H55,H,,,7.049,,,,CoA,,,35768,bmst000222,1
39,,1,1,1,,1,H56,H,,,5.876,,,,CoA,,,35768,bmst000222,1
40,,1,1,1,,1,H57,H,,,5.487,,,,CoA,,,35768,bmst000222,1
41,,1,1,1,,1,H58,H,,,5.809,,,,CoA,,,35768,bmst000222,1
42,,1,1,1,,1,H59,H,,,10.188,,,,CoA,,,35768,bmst000222,1
43,,1,1,1,,1,H60,H,,,4.495,,,,CoA,,,35768,bmst000222,1
44,,1,1,1,,1,H61,H,,,3.841,,,,CoA,,,35768,bmst000222,1
45,,1,1,1,,1,H62,H,,,3.130,,,,CoA,,,35768,bmst000222,1
46,,1,1,1,,1,H63,H,,,5.445,,,,CoA,,,35768,bmst000222,1
47,,1,1,1,,1,H64,H,,,6.047,,,,CoA,,,35768,bmst000222,1
48,,1,1,1,,1,H65,H,,,3.537,,,,CoA,,,35768,bmst000222,1
49,,1,1,1,,1,H66,H,,,4.875,,,,CoA,,,35768,bmst000222,1
50,,1,1,1,,1,H67,H,,,4.645,,,,CoA,,,35768,bmst000222,1
51,,1,1,1,,1,H68,H,,,4.800,,,,CoA,,,35768,bmst000222,1
52,,1,1,1,,1,H69,H,,,4.777,,,,CoA,,,35768,bmst000222,1
53,,1,1,1,,1,H70,H,,,5.101,,,,CoA,,,35768,bmst000222,1
54,,1,1,1,,1,H71,H,,,3.074,,,,CoA,,,35768,bmst000222,1
55,,1,1,1,,1,H72,H,,,3.419,,,,CoA,,,35768,bmst000222,1
56,,1,1,1,,1,H73,H,,,1.728,,,,CoA,,,35768,bmst000222,1
57,,1,1,1,,1,H74,H,,,2.410,,,,CoA,,,35768,bmst000222,1
58,,1,1,1,,1,H75,H,,,2.561,,,,CoA,,,35768,bmst000222,1
59,,1,1,1,,1,H76,H,,,1.346,,,,CoA,,,35768,bmst000222,1
60,,1,1,1,,1,H77,H,,,2.866,,,,CoA,,,35768,bmst000222,1
61,,1,1,1,,1,H78,H,,,1.680,,,,CoA,,,35768,bmst000222,1
62,,1,1,1,,1,H79,H,,,7.152,,,,CoA,,,35768,bmst000222,1
63,,1,1,1,,1,H80,H,,,6.522,,,,CoA,,,35768,bmst000222,1
64,,1,1,1,,1,H81,H,,,5.227,,,,CoA,,,35768,bmst000222,1
65,,1,1,1,,1,H82,H,,,5.397,,,,CoA,,,35768,bmst000222,1
66,,1,1,1,,1,H83,H,,,9.410,,,,CoA,,,35768,bmst000222,1
67,,1,1,1,,1,H84,H,,,9.884,,,,CoA,,,35768,bmst000222,1
1,,1,1,1,,1,N3,N,,,36.139,,,,DL_Alanine,,,35778,bmst000223,1
2,,1,1,1,,1,C4,C,,,52.206,,,,DL_Alanine,,,35778,bmst000223,1
3,,1,1,1,,1,C5,C,,,20.667,,,,DL_Alanine,,,35778,bmst000223,1
4,,1,1,1,,1,C6,C,,,183.008,,,,DL_Alanine,,,35778,bmst000223,1
5,,1,1,1,,1,H7,H,,,7.303,,,,DL_Alanine,,,35778,bmst000223,1
6,,1,1,1,,1,H8,H,,,2.683,,,,DL_Alanine,,,35778,bmst000223,1
7,,1,1,1,,1,H9,H,,,0.715,,,,DL_Alanine,,,35778,bmst000223,1
8,,1,1,1,,1,H10,H,,,4.429,,,,DL_Alanine,,,35778,bmst000223,1
9,,1,1,1,,1,H11,H,,,2.584,,,,DL_Alanine,,,35778,bmst000223,1
10,,1,1,1,,1,H12,H,,,1.805,,,,DL_Alanine,,,35778,bmst000223,1
11,,1,1,1,,1,H13,H,,,2.723,,,,DL_Alanine,,,35778,bmst000223,1
1,,1,1,1,,1,N5,N,,,36.371,,,,D_Aspartate,,,35788,bmst000224,1
2,,1,1,1,,1,C6,C,,,59.436,,,,D_Aspartate,,,35788,bmst000224,1
3,,1,1,1,,1,C7,C,,,42.433,,,,D_Aspartate,,,35788,bmst000224,1
4,,1,1,1,,1,C8,C,,,180.780,,,,D_Aspartate,,,35788,bmst000224,1
5,,1,1,1,,1,C9,C,,,179.734,,,,D_Aspartate,,,35788,bmst000224,1
6,,1,1,1,,1,H10,H,,,6.609,,,,D_Aspartate,,,35788,bmst000224,1
7,,1,1,1,,1,H11,H,,,6.775,,,,D_Aspartate,,,35788,bmst000224,1
8,,1,1,1,,1,H12,H,,,0.650,,,,D_Aspartate,,,35788,bmst000224,1
9,,1,1,1,,1,H13,H,,,0.884,,,,D_Aspartate,,,35788,bmst000224,1
10,,1,1,1,,1,H14,H,,,4.566,,,,D_Aspartate,,,35788,bmst000224,1
11,,1,1,1,,1,H15,H,,,3.194,,,,D_Aspartate,,,35788,bmst000224,1
12,,1,1,1,,1,H16,H,,,4.059,,,,D_Aspartate,,,35788,bmst000224,1
1,,1,1,1,,1,P1,P,,,0.766,,,,D_Fructose_1_phosphate,,,35798,bmst000225,1
2,,1,1,1,,1,C11,C,,,74.762,,,,D_Fructose_1_phosphate,,,35798,bmst000225,1
3,,1,1,1,,1,C12,C,,,72.976,,,,D_Fructose_1_phosphate,,,35798,bmst000225,1
4,,1,1,1,,1,C13,C,,,108.505,,,,D_Fructose_1_phosphate,,,35798,bmst000225,1
5,,1,1,1,,1,C14,C,,,84.026,,,,D_Fructose_1_phosphate,,,35798,bmst000225,1
6,,1,1,1,,1,C15,C,,,85.576,,,,D_Fructose_1_phosphate,,,35798,bmst000225,1
7,,1,1,1,,1,C16,C,,,82.724,,,,D_Fructose_1_phosphate,,,35798,bmst000225,1
8,,1,1,1,,1,H17,H,,,4.035,,,,D_Fructose_1_phosphate,,,35798,bmst000225,1
9,,1,1,1,,1,H18,H,,,3.787,,,,D_Fructose_1_phosphate,,,35798,bmst000225,1
10,,1,1,1,,1,H19,H,,,0.025,,,,D_Fructose_1_phosphate,,,35798,bmst000225,1
11,,1,1,1,,1,H20,H,,,3.500,,,,D_Fructose_1_phosphate,,,35798,bmst000225,1
12,,1,1,1,,1,H21,H,,,0.753,,,,D_Fructose_1_phosphate,,,35798,bmst000225,1
13,,1,1,1,,1,H22,H,,,0.818,,,,D_Fructose_1_phosphate,,,35798,bmst000225,1
14,,1,1,1,,1,H23,H,,,5.339,,,,D_Fructose_1_phosphate,,,35798,bmst000225,1
15,,1,1,1,,1,H24,H,,,5.038,,,,D_Fructose_1_phosphate,,,35798,bmst000225,1
16,,1,1,1,,1,H25,H,,,4.908,,,,D_Fructose_1_phosphate,,,35798,bmst000225,1
17,,1,1,1,,1,H26,H,,,4.976,,,,D_Fructose_1_phosphate,,,35798,bmst000225,1
18,,1,1,1,,1,H27,H,,,5.148,,,,D_Fructose_1_phosphate,,,35798,bmst000225,1
19,,1,1,1,,1,H28,H,,,4.422,,,,D_Fructose_1_phosphate,,,35798,bmst000225,1
20,,1,1,1,,1,H29,H,,,5.078,,,,D_Fructose_1_phosphate,,,35798,bmst000225,1
1,,1,1,1,,1,P1,P,,,-1.345,,,,D_Fructose_2_6_bisphosphate,,,35808,bmst000226,1
2,,1,1,1,,1,P2,P,,,1.910,,,,D_Fructose_2_6_bisphosphate,,,35808,bmst000226,1
3,,1,1,1,,1,C15,C,,,63.423,,,,D_Fructose_2_6_bisphosphate,,,35808,bmst000226,1
4,,1,1,1,,1,C16,C,,,72.426,,,,D_Fructose_2_6_bisphosphate,,,35808,bmst000226,1
5,,1,1,1,,1,C17,C,,,116.678,,,,D_Fructose_2_6_bisphosphate,,,35808,bmst000226,1
6,,1,1,1,,1,C18,C,,,84.206,,,,D_Fructose_2_6_bisphosphate,,,35808,bmst000226,1
7,,1,1,1,,1,C19,C,,,83.193,,,,D_Fructose_2_6_bisphosphate,,,35808,bmst000226,1
8,,1,1,1,,1,C20,C,,,82.103,,,,D_Fructose_2_6_bisphosphate,,,35808,bmst000226,1
9,,1,1,1,,1,H21,H,,,7.720,,,,D_Fructose_2_6_bisphosphate,,,35808,bmst000226,1
10,,1,1,1,,1,H22,H,,,3.605,,,,D_Fructose_2_6_bisphosphate,,,35808,bmst000226,1
11,,1,1,1,,1,H23,H,,,3.870,,,,D_Fructose_2_6_bisphosphate,,,35808,bmst000226,1
12,,1,1,1,,1,H24,H,,,3.920,,,,D_Fructose_2_6_bisphosphate,,,35808,bmst000226,1
13,,1,1,1,,1,H25,H,,,1.005,,,,D_Fructose_2_6_bisphosphate,,,35808,bmst000226,1
14,,1,1,1,,1,H26,H,,,1.259,,,,D_Fructose_2_6_bisphosphate,,,35808,bmst000226,1
15,,1,1,1,,1,H27,H,,,2.175,,,,D_Fructose_2_6_bisphosphate,,,35808,bmst000226,1
16,,1,1,1,,1,H28,H,,,4.329,,,,D_Fructose_2_6_bisphosphate,,,35808,bmst000226,1
17,,1,1,1,,1,H29,H,,,5.593,,,,D_Fructose_2_6_bisphosphate,,,35808,bmst000226,1
18,,1,1,1,,1,H30,H,,,5.468,,,,D_Fructose_2_6_bisphosphate,,,35808,bmst000226,1
19,,1,1,1,,1,H31,H,,,5.979,,,,D_Fructose_2_6_bisphosphate,,,35808,bmst000226,1
20,,1,1,1,,1,H32,H,,,5.161,,,,D_Fructose_2_6_bisphosphate,,,35808,bmst000226,1
21,,1,1,1,,1,H33,H,,,5.436,,,,D_Fructose_2_6_bisphosphate,,,35808,bmst000226,1
22,,1,1,1,,1,H34,H,,,5.958,,,,D_Fructose_2_6_bisphosphate,,,35808,bmst000226,1
1,,1,1,1,,1,C4,C,,,85.022,,,,D_Glyceraldehyde,,,35818,bmst000227,1
2,,1,1,1,,1,C5,C,,,68.401,,,,D_Glyceraldehyde,,,35818,bmst000227,1
3,,1,1,1,,1,C6,C,,,219.930,,,,D_Glyceraldehyde,,,35818,bmst000227,1
4,,1,1,1,,1,H7,H,,,3.624,,,,D_Glyceraldehyde,,,35818,bmst000227,1
5,,1,1,1,,1,H8,H,,,0.444,,,,D_Glyceraldehyde,,,35818,bmst000227,1
6,,1,1,1,,1,H9,H,,,5.549,,,,D_Glyceraldehyde,,,35818,bmst000227,1
7,,1,1,1,,1,H10,H,,,5.138,,,,D_Glyceraldehyde,,,35818,bmst000227,1
8,,1,1,1,,1,H11,H,,,4.644,,,,D_Glyceraldehyde,,,35818,bmst000227,1
9,,1,1,1,,1,H12,H,,,11.007,,,,D_Glyceraldehyde,,,35818,bmst000227,1
1,,,1,1,,D_Ribulose_5_phosphate,P1,P,,,1.111,,,,D_Ribulose_5_phosphate,,,35827,bmst000228,1
2,,,1,1,,D_Ribulose_5_phosphate,C10,C,,,77.360,,,,D_Ribulose_5_phosphate,,,35827,bmst000228,1
3,,,1,1,,D_Ribulose_5_phosphate,C11,C,,,74.667,,,,D_Ribulose_5_phosphate,,,35827,bmst000228,1
4,,,1,1,,D_Ribulose_5_phosphate,C12,C,,,79.269,,,,D_Ribulose_5_phosphate,,,35827,bmst000228,1
5,,,1,1,,D_Ribulose_5_phosphate,C13,C,,,67.392,,,,D_Ribulose_5_phosphate,,,35827,bmst000228,1
6,,,1,1,,D_Ribulose_5_phosphate,C14,C,,,223.088,,,,D_Ribulose_5_phosphate,,,35827,bmst000228,1
7,,,1,1,,D_Ribulose_5_phosphate,H15,H,,,4.069,,,,D_Ribulose_5_phosphate,,,35827,bmst000228,1
8,,,1,1,,D_Ribulose_5_phosphate,H16,H,,,3.959,,,,D_Ribulose_5_phosphate,,,35827,bmst000228,1
9,,,1,1,,D_Ribulose_5_phosphate,H17,H,,,2.766,,,,D_Ribulose_5_phosphate,,,35827,bmst000228,1
10,,,1,1,,D_Ribulose_5_phosphate,H18,H,,,0.600,,,,D_Ribulose_5_phosphate,,,35827,bmst000228,1
11,,,1,1,,D_Ribulose_5_phosphate,H19,H,,,3.490,,,,D_Ribulose_5_phosphate,,,35827,bmst000228,1
12,,,1,1,,D_Ribulose_5_phosphate,H20,H,,,4.994,,,,D_Ribulose_5_phosphate,,,35827,bmst000228,1
13,,,1,1,,D_Ribulose_5_phosphate,H21,H,,,5.117,,,,D_Ribulose_5_phosphate,,,35827,bmst000228,1
14,,,1,1,,D_Ribulose_5_phosphate,H22,H,,,5.051,,,,D_Ribulose_5_phosphate,,,35827,bmst000228,1
15,,,1,1,,D_Ribulose_5_phosphate,H23,H,,,4.777,,,,D_Ribulose_5_phosphate,,,35827,bmst000228,1
16,,,1,1,,D_Ribulose_5_phosphate,H24,H,,,5.692,,,,D_Ribulose_5_phosphate,,,35827,bmst000228,1
17,,,1,1,,D_Ribulose_5_phosphate,H25,H,,,11.548,,,,D_Ribulose_5_phosphate,,,35827,bmst000228,1
1,,1,1,1,,1,C1,C,,,32.087,,,,caffeine,,,35837,bmst000229,1
2,,1,1,1,,1,C2,C,,,31.829,,,,caffeine,,,35837,bmst000229,1
3,,1,1,1,,1,C3,C,,,29.325,,,,caffeine,,,35837,bmst000229,1
4,,1,1,1,,1,C4,C,,,146.454,,,,caffeine,,,35837,bmst000229,1
5,,1,1,1,,1,C5,C,,,114.522,,,,caffeine,,,35837,bmst000229,1
6,,1,1,1,,1,C6,C,,,152.961,,,,caffeine,,,35837,bmst000229,1
7,,1,1,1,,1,C7,C,,,163.782,,,,caffeine,,,35837,bmst000229,1
8,,1,1,1,,1,C8,C,,,157.211,,,,caffeine,,,35837,bmst000229,1
9,,1,1,1,,1,N9,N,,,259.571,,,,caffeine,,,35837,bmst000229,1
10,,1,1,1,,1,N10,N,,,161.445,,,,caffeine,,,35837,bmst000229,1
11,,1,1,1,,1,N11,N,,,122.914,,,,caffeine,,,35837,bmst000229,1
12,,1,1,1,,1,N12,N,,,161.025,,,,caffeine,,,35837,bmst000229,1
13,,1,1,1,,1,H15,H,,,4.649,,,,caffeine,,,35837,bmst000229,1
14,,1,1,1,,1,H16,H,,,4.649,,,,caffeine,,,35837,bmst000229,1
15,,1,1,1,,1,H17,H,,,6.742,,,,caffeine,,,35837,bmst000229,1
16,,1,1,1,,1,H18,H,,,4.311,,,,caffeine,,,35837,bmst000229,1
17,,1,1,1,,1,H19,H,,,4.311,,,,caffeine,,,35837,bmst000229,1
18,,1,1,1,,1,H20,H,,,5.559,,,,caffeine,,,35837,bmst000229,1
19,,1,1,1,,1,H21,H,,,4.010,,,,caffeine,,,35837,bmst000229,1
20,,1,1,1,,1,H22,H,,,4.010,,,,caffeine,,,35837,bmst000229,1
21,,1,1,1,,1,H23,H,,,5.760,,,,caffeine,,,35837,bmst000229,1
22,,1,1,1,,1,H24,H,,,8.399,,,,caffeine,,,35837,bmst000229,1
1,,1,1,1,,1,P1,P,,,-11.455,,,,UDPglucuronate,,,35847,bmst000230,1
2,,1,1,1,,1,P2,P,,,-10.478,,,,UDPglucuronate,,,35847,bmst000230,1
3,,1,1,1,,1,N21,N,,,156.765,,,,UDPglucuronate,,,35847,bmst000230,1
4,,1,1,1,,1,N22,N,,,166.146,,,,UDPglucuronate,,,35847,bmst000230,1
5,,1,1,1,,1,C23,C,,,74.143,,,,UDPglucuronate,,,35847,bmst000230,1
6,,1,1,1,,1,C24,C,,,103.011,,,,UDPglucuronate,,,35847,bmst000230,1
7,,1,1,1,,1,C25,C,,,110.130,,,,UDPglucuronate,,,35847,bmst000230,1
8,,1,1,1,,1,C26,C,,,89.105,,,,UDPglucuronate,,,35847,bmst000230,1
9,,1,1,1,,1,C27,C,,,69.865,,,,UDPglucuronate,,,35847,bmst000230,1
10,,1,1,1,,1,C28,C,,,77.770,,,,UDPglucuronate,,,35847,bmst000230,1
11,,1,1,1,,1,C29,C,,,77.951,,,,UDPglucuronate,,,35847,bmst000230,1
12,,1,1,1,,1,C30,C,,,71.673,,,,UDPglucuronate,,,35847,bmst000230,1
13,,1,1,1,,1,C31,C,,,73.766,,,,UDPglucuronate,,,35847,bmst000230,1
14,,1,1,1,,1,C32,C,,,85.650,,,,UDPglucuronate,,,35847,bmst000230,1
15,,1,1,1,,1,C33,C,,,174.834,,,,UDPglucuronate,,,35847,bmst000230,1
16,,1,1,1,,1,C34,C,,,157.140,,,,UDPglucuronate,,,35847,bmst000230,1
17,,1,1,1,,1,C35,C,,,166.920,,,,UDPglucuronate,,,35847,bmst000230,1
18,,1,1,1,,1,C36,C,,,151.728,,,,UDPglucuronate,,,35847,bmst000230,1
19,,1,1,1,,1,C37,C,,,108.878,,,,UDPglucuronate,,,35847,bmst000230,1
20,,1,1,1,,1,H38,H,,,7.512,,,,UDPglucuronate,,,35847,bmst000230,1
21,,1,1,1,,1,H39,H,,,9.282,,,,UDPglucuronate,,,35847,bmst000230,1
22,,1,1,1,,1,H40,H,,,5.310,,,,UDPglucuronate,,,35847,bmst000230,1
23,,1,1,1,,1,H41,H,,,3.515,,,,UDPglucuronate,,,35847,bmst000230,1
24,,1,1,1,,1,H42,H,,,0.962,,,,UDPglucuronate,,,35847,bmst000230,1
25,,1,1,1,,1,H43,H,,,2.338,,,,UDPglucuronate,,,35847,bmst000230,1
26,,1,1,1,,1,H44,H,,,0.922,,,,UDPglucuronate,,,35847,bmst000230,1
27,,1,1,1,,1,H45,H,,,9.632,,,,UDPglucuronate,,,35847,bmst000230,1
28,,1,1,1,,1,H46,H,,,7.233,,,,UDPglucuronate,,,35847,bmst000230,1
29,,1,1,1,,1,H47,H,,,5.543,,,,UDPglucuronate,,,35847,bmst000230,1
30,,1,1,1,,1,H48,H,,,5.598,,,,UDPglucuronate,,,35847,bmst000230,1
31,,1,1,1,,1,H49,H,,,6.786,,,,UDPglucuronate,,,35847,bmst000230,1
32,,1,1,1,,1,H50,H,,,6.051,,,,UDPglucuronate,,,35847,bmst000230,1
33,,1,1,1,,1,H51,H,,,5.492,,,,UDPglucuronate,,,35847,bmst000230,1
34,,1,1,1,,1,H52,H,,,5.605,,,,UDPglucuronate,,,35847,bmst000230,1
35,,1,1,1,,1,H53,H,,,4.923,,,,UDPglucuronate,,,35847,bmst000230,1
36,,1,1,1,,1,H54,H,,,5.823,,,,UDPglucuronate,,,35847,bmst000230,1
37,,1,1,1,,1,H55,H,,,5.292,,,,UDPglucuronate,,,35847,bmst000230,1
38,,1,1,1,,1,H56,H,,,5.680,,,,UDPglucuronate,,,35847,bmst000230,1
39,,1,1,1,,1,H57,H,,,5.171,,,,UDPglucuronate,,,35847,bmst000230,1
40,,1,1,1,,1,H58,H,,,8.349,,,,UDPglucuronate,,,35847,bmst000230,1
41,,1,1,1,,1,H59,H,,,6.825,,,,UDPglucuronate,,,35847,bmst000230,1
1,,1,1,1,,1,P1,P,,,-4.099,,,,dADP,,,35857,bmst000231,1
2,,1,1,1,,1,P2,P,,,-6.613,,,,dADP,,,35857,bmst000231,1
3,,1,1,1,,1,N12,N,,,85.126,,,,dADP,,,35857,bmst000231,1
4,,1,1,1,,1,N13,N,,,175.567,,,,dADP,,,35857,bmst000231,1
5,,1,1,1,,1,N14,N,,,264.029,,,,dADP,,,35857,bmst000231,1
6,,1,1,1,,1,N15,N,,,258.677,,,,dADP,,,35857,bmst000231,1
7,,1,1,1,,1,N16,N,,,244.454,,,,dADP,,,35857,bmst000231,1
8,,1,1,1,,1,C17,C,,,73.357,,,,dADP,,,35857,bmst000231,1
9,,1,1,1,,1,C18,C,,,96.045,,,,dADP,,,35857,bmst000231,1
10,,1,1,1,,1,C19,C,,,96.167,,,,dADP,,,35857,bmst000231,1
11,,1,1,1,,1,C20,C,,,79.682,,,,dADP,,,35857,bmst000231,1
12,,1,1,1,,1,C21,C,,,37.037,,,,dADP,,,35857,bmst000231,1
13,,1,1,1,,1,C22,C,,,160.713,,,,dADP,,,35857,bmst000231,1
14,,1,1,1,,1,C23,C,,,156.390,,,,dADP,,,35857,bmst000231,1
15,,1,1,1,,1,C24,C,,,127.180,,,,dADP,,,35857,bmst000231,1
16,,1,1,1,,1,C25,C,,,147.604,,,,dADP,,,35857,bmst000231,1
17,,1,1,1,,1,C26,C,,,161.005,,,,dADP,,,35857,bmst000231,1
18,,1,1,1,,1,H27,H,,,8.426,,,,dADP,,,35857,bmst000231,1
19,,1,1,1,,1,H28,H,,,4.250,,,,dADP,,,35857,bmst000231,1
20,,1,1,1,,1,H29,H,,,4.515,,,,dADP,,,35857,bmst000231,1
21,,1,1,1,,1,H30,H,,,0.470,,,,dADP,,,35857,bmst000231,1
22,,1,1,1,,1,H31,H,,,5.454,,,,dADP,,,35857,bmst000231,1
23,,1,1,1,,1,H32,H,,,6.215,,,,dADP,,,35857,bmst000231,1
24,,1,1,1,,1,H33,H,,,5.060,,,,dADP,,,35857,bmst000231,1
25,,1,1,1,,1,H34,H,,,6.660,,,,dADP,,,35857,bmst000231,1
26,,1,1,1,,1,H35,H,,,7.361,,,,dADP,,,35857,bmst000231,1
27,,1,1,1,,1,H36,H,,,5.232,,,,dADP,,,35857,bmst000231,1
28,,1,1,1,,1,H37,H,,,5.100,,,,dADP,,,35857,bmst000231,1
29,,1,1,1,,1,H38,H,,,3.288,,,,dADP,,,35857,bmst000231,1
30,,1,1,1,,1,H39,H,,,5.123,,,,dADP,,,35857,bmst000231,1
31,,1,1,1,,1,H40,H,,,8.653,,,,dADP,,,35857,bmst000231,1
32,,1,1,1,,1,H41,H,,,10.107,,,,dADP,,,35857,bmst000231,1
1,,1,1,1,,1,P1,P,,,0.895,,,,dTMP,,,35867,bmst000232,1
2,,1,1,1,,1,N10,N,,,159.624,,,,dTMP,,,35867,bmst000232,1
3,,1,1,1,,1,N11,N,,,164.657,,,,dTMP,,,35867,bmst000232,1
4,,1,1,1,,1,C12,C,,,70.630,,,,dTMP,,,35867,bmst000232,1
5,,1,1,1,,1,C13,C,,,15.357,,,,dTMP,,,35867,bmst000232,1
6,,1,1,1,,1,C14,C,,,102.056,,,,dTMP,,,35867,bmst000232,1
7,,1,1,1,,1,C15,C,,,94.834,,,,dTMP,,,35867,bmst000232,1
8,,1,1,1,,1,C16,C,,,78.394,,,,dTMP,,,35867,bmst000232,1
9,,1,1,1,,1,C17,C,,,42.289,,,,dTMP,,,35867,bmst000232,1
10,,1,1,1,,1,C18,C,,,156.365,,,,dTMP,,,35867,bmst000232,1
11,,1,1,1,,1,C19,C,,,168.822,,,,dTMP,,,35867,bmst000232,1
12,,1,1,1,,1,C20,C,,,116.845,,,,dTMP,,,35867,bmst000232,1
13,,1,1,1,,1,C21,C,,,147.412,,,,dTMP,,,35867,bmst000232,1
14,,1,1,1,,1,H22,H,,,3.909,,,,dTMP,,,35867,bmst000232,1
15,,1,1,1,,1,H23,H,,,3.675,,,,dTMP,,,35867,bmst000232,1
16,,1,1,1,,1,H24,H,,,0.799,,,,dTMP,,,35867,bmst000232,1
17,,1,1,1,,1,H25,H,,,7.220,,,,dTMP,,,35867,bmst000232,1
18,,1,1,1,,1,H26,H,,,5.003,,,,dTMP,,,35867,bmst000232,1
19,,1,1,1,,1,H27,H,,,5.548,,,,dTMP,,,35867,bmst000232,1
20,,1,1,1,,1,H28,H,,,3.244,,,,dTMP,,,35867,bmst000232,1
21,,1,1,1,,1,H29,H,,,3.267,,,,dTMP,,,35867,bmst000232,1
22,,1,1,1,,1,H30,H,,,2.389,,,,dTMP,,,35867,bmst000232,1
23,,1,1,1,,1,H31,H,,,6.005,,,,dTMP,,,35867,bmst000232,1
24,,1,1,1,,1,H32,H,,,5.234,,,,dTMP,,,35867,bmst000232,1
25,,1,1,1,,1,H33,H,,,5.980,,,,dTMP,,,35867,bmst000232,1
26,,1,1,1,,1,H34,H,,,3.641,,,,dTMP,,,35867,bmst000232,1
27,,1,1,1,,1,H35,H,,,3.722,,,,dTMP,,,35867,bmst000232,1
28,,1,1,1,,1,H36,H,,,7.913,,,,dTMP,,,35867,bmst000232,1
1,,1,1,1,,1,P1,P,,,6.666,,,,FMN,,,35877,bmst000233,1
2,,1,1,1,,1,N11,N,,,161.652,,,,FMN,,,35877,bmst000233,1
3,,1,1,1,,1,N12,N,,,166.953,,,,FMN,,,35877,bmst000233,1
4,,1,1,1,,1,N13,N,,,215.217,,,,FMN,,,35877,bmst000233,1
5,,1,1,1,,1,N14,N,,,385.527,,,,FMN,,,35877,bmst000233,1
6,,1,1,1,,1,C15,C,,,76.550,,,,FMN,,,35877,bmst000233,1
7,,1,1,1,,1,C16,C,,,82.296,,,,FMN,,,35877,bmst000233,1
8,,1,1,1,,1,C17,C,,,83.133,,,,FMN,,,35877,bmst000233,1
9,,1,1,1,,1,C18,C,,,74.681,,,,FMN,,,35877,bmst000233,1
10,,1,1,1,,1,C19,C,,,55.393,,,,FMN,,,35877,bmst000233,1
11,,1,1,1,,1,C20,C,,,23.571,,,,FMN,,,35877,bmst000233,1
12,,1,1,1,,1,C21,C,,,21.493,,,,FMN,,,35877,bmst000233,1
13,,1,1,1,,1,C22,C,,,159.182,,,,FMN,,,35877,bmst000233,1
14,,1,1,1,,1,C23,C,,,154.013,,,,FMN,,,35877,bmst000233,1
15,,1,1,1,,1,C24,C,,,166.027,,,,FMN,,,35877,bmst000233,1
16,,1,1,1,,1,C25,C,,,147.617,,,,FMN,,,35877,bmst000233,1
17,,1,1,1,,1,C26,C,,,138.174,,,,FMN,,,35877,bmst000233,1
18,,1,1,1,,1,C27,C,,,142.258,,,,FMN,,,35877,bmst000233,1
19,,1,1,1,,1,C28,C,,,155.597,,,,FMN,,,35877,bmst000233,1
20,,1,1,1,,1,C29,C,,,142.143,,,,FMN,,,35877,bmst000233,1
21,,1,1,1,,1,C30,C,,,125.899,,,,FMN,,,35877,bmst000233,1
22,,1,1,1,,1,C31,C,,,142.975,,,,FMN,,,35877,bmst000233,1
23,,1,1,1,,1,H32,H,,,3.793,,,,FMN,,,35877,bmst000233,1
24,,1,1,1,,1,H33,H,,,3.805,,,,FMN,,,35877,bmst000233,1
25,,1,1,1,,1,H34,H,,,5.263,,,,FMN,,,35877,bmst000233,1
26,,1,1,1,,1,H35,H,,,2.666,,,,FMN,,,35877,bmst000233,1
27,,1,1,1,,1,H36,H,,,4.015,,,,FMN,,,35877,bmst000233,1
28,,1,1,1,,1,H37,H,,,7.793,,,,FMN,,,35877,bmst000233,1
29,,1,1,1,,1,H38,H,,,4.487,,,,FMN,,,35877,bmst000233,1
30,,1,1,1,,1,H39,H,,,4.900,,,,FMN,,,35877,bmst000233,1
31,,1,1,1,,1,H40,H,,,4.968,,,,FMN,,,35877,bmst000233,1
32,,1,1,1,,1,H41,H,,,5.300,,,,FMN,,,35877,bmst000233,1
33,,1,1,1,,1,H42,H,,,5.942,,,,FMN,,,35877,bmst000233,1
34,,1,1,1,,1,H43,H,,,6.520,,,,FMN,,,35877,bmst000233,1
35,,1,1,1,,1,H44,H,,,5.183,,,,FMN,,,35877,bmst000233,1
36,,1,1,1,,1,H45,H,,,3.672,,,,FMN,,,35877,bmst000233,1
37,,1,1,1,,1,H46,H,,,3.519,,,,FMN,,,35877,bmst000233,1
38,,1,1,1,,1,H47,H,,,3.659,,,,FMN,,,35877,bmst000233,1
39,,1,1,1,,1,H48,H,,,3.582,,,,FMN,,,35877,bmst000233,1
40,,1,1,1,,1,H49,H,,,3.432,,,,FMN,,,35877,bmst000233,1
41,,1,1,1,,1,H50,H,,,3.551,,,,FMN,,,35877,bmst000233,1
42,,1,1,1,,1,H51,H,,,9.385,,,,FMN,,,35877,bmst000233,1
43,,1,1,1,,1,H52,H,,,9.236,,,,FMN,,,35877,bmst000233,1
1,,1,1,1,,1,P1,P,,,8.551,,,,UDP,,,35887,bmst000234,1
2,,1,1,1,,1,P2,P,,,8.007,,,,UDP,,,35887,bmst000234,1
3,,1,1,1,,1,N15,N,,,157.579,,,,UDP,,,35887,bmst000234,1
4,,1,1,1,,1,N16,N,,,166.194,,,,UDP,,,35887,bmst000234,1
5,,1,1,1,,1,C17,C,,,74.776,,,,UDP,,,35887,bmst000234,1
6,,1,1,1,,1,C18,C,,,110.749,,,,UDP,,,35887,bmst000234,1
7,,1,1,1,,1,C19,C,,,90.197,,,,UDP,,,35887,bmst000234,1
8,,1,1,1,,1,C20,C,,,78.259,,,,UDP,,,35887,bmst000234,1
9,,1,1,1,,1,C21,C,,,78.180,,,,UDP,,,35887,bmst000234,1
10,,1,1,1,,1,C22,C,,,157.277,,,,UDP,,,35887,bmst000234,1
11,,1,1,1,,1,C23,C,,,166.967,,,,UDP,,,35887,bmst000234,1
12,,1,1,1,,1,C24,C,,,151.695,,,,UDP,,,35887,bmst000234,1
13,,1,1,1,,1,C25,C,,,108.934,,,,UDP,,,35887,bmst000234,1
14,,1,1,1,,1,H26,H,,,7.299,,,,UDP,,,35887,bmst000234,1
15,,1,1,1,,1,H27,H,,,7.581,,,,UDP,,,35887,bmst000234,1
16,,1,1,1,,1,H28,H,,,4.499,,,,UDP,,,35887,bmst000234,1
17,,1,1,1,,1,H29,H,,,3.623,,,,UDP,,,35887,bmst000234,1
18,,1,1,1,,1,H30,H,,,0.964,,,,UDP,,,35887,bmst000234,1
19,,1,1,1,,1,H31,H,,,7.255,,,,UDP,,,35887,bmst000234,1
20,,1,1,1,,1,H32,H,,,5.701,,,,UDP,,,35887,bmst000234,1
21,,1,1,1,,1,H33,H,,,5.844,,,,UDP,,,35887,bmst000234,1
22,,1,1,1,,1,H34,H,,,6.094,,,,UDP,,,35887,bmst000234,1
23,,1,1,1,,1,H35,H,,,5.516,,,,UDP,,,35887,bmst000234,1
24,,1,1,1,,1,H36,H,,,4.882,,,,UDP,,,35887,bmst000234,1
25,,1,1,1,,1,H37,H,,,5.779,,,,UDP,,,35887,bmst000234,1
26,,1,1,1,,1,H38,H,,,8.364,,,,UDP,,,35887,bmst000234,1
27,,1,1,1,,1,H39,H,,,6.834,,,,UDP,,,35887,bmst000234,1
1,,1,1,1,,1,P1,P,,,1.487,,,,dAMP,,,35897,bmst000235,1
2,,1,1,1,,1,N8,N,,,85.074,,,,dAMP,,,35897,bmst000235,1
3,,1,1,1,,1,N9,N,,,175.429,,,,dAMP,,,35897,bmst000235,1
4,,1,1,1,,1,N10,N,,,264.022,,,,dAMP,,,35897,bmst000235,1
5,,1,1,1,,1,N11,N,,,258.362,,,,dAMP,,,35897,bmst000235,1
6,,1,1,1,,1,N12,N,,,244.510,,,,dAMP,,,35897,bmst000235,1
7,,1,1,1,,1,C13,C,,,69.277,,,,dAMP,,,35897,bmst000235,1
8,,1,1,1,,1,C14,C,,,95.864,,,,dAMP,,,35897,bmst000235,1
9,,1,1,1,,1,C15,C,,,96.027,,,,dAMP,,,35897,bmst000235,1
10,,1,1,1,,1,C16,C,,,79.775,,,,dAMP,,,35897,bmst000235,1
11,,1,1,1,,1,C17,C,,,37.329,,,,dAMP,,,35897,bmst000235,1
12,,1,1,1,,1,C18,C,,,160.699,,,,dAMP,,,35897,bmst000235,1
13,,1,1,1,,1,C19,C,,,156.330,,,,dAMP,,,35897,bmst000235,1
14,,1,1,1,,1,C20,C,,,127.199,,,,dAMP,,,35897,bmst000235,1
15,,1,1,1,,1,C21,C,,,147.796,,,,dAMP,,,35897,bmst000235,1
16,,1,1,1,,1,C22,C,,,160.948,,,,dAMP,,,35897,bmst000235,1
17,,1,1,1,,1,H23,H,,,3.659,,,,dAMP,,,35897,bmst000235,1
18,,1,1,1,,1,H24,H,,,3.782,,,,dAMP,,,35897,bmst000235,1
19,,1,1,1,,1,H25,H,,,0.427,,,,dAMP,,,35897,bmst000235,1
20,,1,1,1,,1,H26,H,,,5.425,,,,dAMP,,,35897,bmst000235,1
21,,1,1,1,,1,H27,H,,,6.202,,,,dAMP,,,35897,bmst000235,1
22,,1,1,1,,1,H28,H,,,4.867,,,,dAMP,,,35897,bmst000235,1
23,,1,1,1,,1,H29,H,,,6.545,,,,dAMP,,,35897,bmst000235,1
24,,1,1,1,,1,H30,H,,,7.396,,,,dAMP,,,35897,bmst000235,1
25,,1,1,1,,1,H31,H,,,5.155,,,,dAMP,,,35897,bmst000235,1
26,,1,1,1,,1,H32,H,,,5.160,,,,dAMP,,,35897,bmst000235,1
27,,1,1,1,,1,H33,H,,,3.292,,,,dAMP,,,35897,bmst000235,1
28,,1,1,1,,1,H34,H,,,5.140,,,,dAMP,,,35897,bmst000235,1
29,,1,1,1,,1,H35,H,,,8.690,,,,dAMP,,,35897,bmst000235,1
30,,1,1,1,,1,H36,H,,,10.069,,,,dAMP,,,35897,bmst000235,1
1,,1,1,1,,1,H1,H,,,6.826,,,,uridine,,,35907,bmst000236,1
2,,1,1,1,,1,H2,H,,,8.222,,,,uridine,,,35907,bmst000236,1
3,,1,1,1,,1,H3,H,,,4.368,,,,uridine,,,35907,bmst000236,1
4,,1,1,1,,1,H4,H,,,5.767,,,,uridine,,,35907,bmst000236,1
5,,1,1,1,,1,H5,H,,,4.963,,,,uridine,,,35907,bmst000236,1
6,,1,1,1,,1,H6,H,,,5.794,,,,uridine,,,35907,bmst000236,1
7,,1,1,1,,1,H7,H,,,4.791,,,,uridine,,,35907,bmst000236,1
8,,1,1,1,,1,H8,H,,,4.485,,,,uridine,,,35907,bmst000236,1
9,,1,1,1,,1,H9,H,,,7.364,,,,uridine,,,35907,bmst000236,1
10,,1,1,1,,1,H10,H,,,0.862,,,,uridine,,,35907,bmst000236,1
11,,1,1,1,,1,H11,H,,,2.839,,,,uridine,,,35907,bmst000236,1
12,,1,1,1,,1,H12,H,,,2.776,,,,uridine,,,35907,bmst000236,1
13,,1,1,1,,1,C13,C,,,109.221,,,,uridine,,,35907,bmst000236,1
14,,1,1,1,,1,C14,C,,,151.590,,,,uridine,,,35907,bmst000236,1
15,,1,1,1,,1,C15,C,,,166.584,,,,uridine,,,35907,bmst000236,1
16,,1,1,1,,1,C16,C,,,157.648,,,,uridine,,,35907,bmst000236,1
17,,1,1,1,,1,C17,C,,,78.244,,,,uridine,,,35907,bmst000236,1
18,,1,1,1,,1,C18,C,,,77.412,,,,uridine,,,35907,bmst000236,1
19,,1,1,1,,1,C19,C,,,91.495,,,,uridine,,,35907,bmst000236,1
20,,1,1,1,,1,C20,C,,,108.445,,,,uridine,,,35907,bmst000236,1
21,,1,1,1,,1,C21,C,,,64.172,,,,uridine,,,35907,bmst000236,1
22,,1,1,1,,1,N22,N,,,168.738,,,,uridine,,,35907,bmst000236,1
23,,1,1,1,,1,N23,N,,,150.211,,,,uridine,,,35907,bmst000236,1
1,,1,1,1,,1,C1,C,,,94.494,,,,cytidine,,,35917,bmst000237,1
2,,1,1,1,,1,C2,C,,,148.450,,,,cytidine,,,35917,bmst000237,1
3,,1,1,1,,1,C3,C,,,69.663,,,,cytidine,,,35917,bmst000237,1
4,,1,1,1,,1,C4,C,,,168.737,,,,cytidine,,,35917,bmst000237,1
5,,1,1,1,,1,C5,C,,,161.531,,,,cytidine,,,35917,bmst000237,1
6,,1,1,1,,1,C6,C,,,88.564,,,,cytidine,,,35917,bmst000237,1
7,,1,1,1,,1,C7,C,,,78.005,,,,cytidine,,,35917,bmst000237,1
8,,1,1,1,,1,C8,C,,,82.084,,,,cytidine,,,35917,bmst000237,1
9,,1,1,1,,1,C9,C,,,104.483,,,,cytidine,,,35917,bmst000237,1
10,,1,1,1,,1,N10,N,,,91.575,,,,cytidine,,,35917,bmst000237,1
11,,1,1,1,,1,N11,N,,,237.164,,,,cytidine,,,35917,bmst000237,1
12,,1,1,1,,1,N12,N,,,167.700,,,,cytidine,,,35917,bmst000237,1
13,,1,1,1,,1,H18,H,,,6.583,,,,cytidine,,,35917,bmst000237,1
14,,1,1,1,,1,H19,H,,,9.021,,,,cytidine,,,35917,bmst000237,1
15,,1,1,1,,1,H20,H,,,4.778,,,,cytidine,,,35917,bmst000237,1
16,,1,1,1,,1,H21,H,,,4.728,,,,cytidine,,,35917,bmst000237,1
17,,1,1,1,,1,H22,H,,,5.434,,,,cytidine,,,35917,bmst000237,1
18,,1,1,1,,1,H23,H,,,4.242,,,,cytidine,,,35917,bmst000237,1
19,,1,1,1,,1,H24,H,,,4.821,,,,cytidine,,,35917,bmst000237,1
20,,1,1,1,,1,H25,H,,,6.183,,,,cytidine,,,35917,bmst000237,1
21,,1,1,1,,1,H26,H,,,5.155,,,,cytidine,,,35917,bmst000237,1
22,,1,1,1,,1,H27,H,,,4.607,,,,cytidine,,,35917,bmst000237,1
23,,1,1,1,,1,H28,H,,,0.126,,,,cytidine,,,35917,bmst000237,1
24,,1,1,1,,1,H29,H,,,0.531,,,,cytidine,,,35917,bmst000237,1
25,,1,1,1,,1,H30,H,,,4.609,,,,cytidine,,,35917,bmst000237,1
1,,1,1,1,,1,N3,N,,,164.667,,,,uracil,,,35927,bmst000238,1
2,,1,1,1,,1,N4,N,,,135.756,,,,uracil,,,35927,bmst000238,1
3,,1,1,1,,1,C5,C,,,153.665,,,,uracil,,,35927,bmst000238,1
4,,1,1,1,,1,C6,C,,,167.625,,,,uracil,,,35927,bmst000238,1
5,,1,1,1,,1,C7,C,,,144.830,,,,uracil,,,35927,bmst000238,1
6,,1,1,1,,1,C8,C,,,108.863,,,,uracil,,,35927,bmst000238,1
7,,1,1,1,,1,H9,H,,,7.179,,,,uracil,,,35927,bmst000238,1
8,,1,1,1,,1,H10,H,,,6.627,,,,uracil,,,35927,bmst000238,1
9,,1,1,1,,1,H11,H,,,8.287,,,,uracil,,,35927,bmst000238,1
10,,1,1,1,,1,H12,H,,,6.734,,,,uracil,,,35927,bmst000238,1
1,,1,1,1,,1,P1,P,,,-2.621,,,,UTP,,,35937,bmst000239,1
2,,1,1,1,,1,P2,P,,,1.367,,,,UTP,,,35937,bmst000239,1
3,,1,1,1,,1,P3,P,,,6.052,,,,UTP,,,35937,bmst000239,1
4,,1,1,1,,1,N19,N,,,157.580,,,,UTP,,,35937,bmst000239,1
5,,1,1,1,,1,N20,N,,,166.106,,,,UTP,,,35937,bmst000239,1
6,,1,1,1,,1,C21,C,,,74.600,,,,UTP,,,35937,bmst000239,1
7,,1,1,1,,1,C22,C,,,110.369,,,,UTP,,,35937,bmst000239,1
8,,1,1,1,,1,C23,C,,,89.877,,,,UTP,,,35937,bmst000239,1
9,,1,1,1,,1,C24,C,,,77.957,,,,UTP,,,35937,bmst000239,1
10,,1,1,1,,1,C25,C,,,77.892,,,,UTP,,,35937,bmst000239,1
11,,1,1,1,,1,C26,C,,,157.080,,,,UTP,,,35937,bmst000239,1
12,,1,1,1,,1,C27,C,,,166.995,,,,UTP,,,35937,bmst000239,1
13,,1,1,1,,1,C28,C,,,151.807,,,,UTP,,,35937,bmst000239,1
14,,1,1,1,,1,C29,C,,,108.749,,,,UTP,,,35937,bmst000239,1
15,,1,1,1,,1,H30,H,,,7.737,,,,UTP,,,35937,bmst000239,1
16,,1,1,1,,1,H31,H,,,7.355,,,,UTP,,,35937,bmst000239,1
17,,1,1,1,,1,H32,H,,,4.736,,,,UTP,,,35937,bmst000239,1
18,,1,1,1,,1,H33,H,,,6.845,,,,UTP,,,35937,bmst000239,1
19,,1,1,1,,1,H34,H,,,3.590,,,,UTP,,,35937,bmst000239,1
20,,1,1,1,,1,H35,H,,,0.990,,,,UTP,,,35937,bmst000239,1
21,,1,1,1,,1,H36,H,,,7.235,,,,UTP,,,35937,bmst000239,1
22,,1,1,1,,1,H37,H,,,5.745,,,,UTP,,,35937,bmst000239,1
23,,1,1,1,,1,H38,H,,,5.751,,,,UTP,,,35937,bmst000239,1
24,,1,1,1,,1,H39,H,,,6.061,,,,UTP,,,35937,bmst000239,1
25,,1,1,1,,1,H40,H,,,5.421,,,,UTP,,,35937,bmst000239,1
26,,1,1,1,,1,H41,H,,,4.920,,,,UTP,,,35937,bmst000239,1
27,,1,1,1,,1,H42,H,,,5.778,,,,UTP,,,35937,bmst000239,1
28,,1,1,1,,1,H43,H,,,8.368,,,,UTP,,,35937,bmst000239,1
29,,1,1,1,,1,H44,H,,,6.822,,,,UTP,,,35937,bmst000239,1
1,,1,1,1,,1,C1,C,,,25.088,,,,uridine_5_diphospho_N_acetlyglucosamine,,,35947,bmst000241,1
2,,1,1,1,,1,C2,C,,,109.245,,,,uridine_5_diphospho_N_acetlyglucosamine,,,35947,bmst000241,1
3,,1,1,1,,1,C3,C,,,153.733,,,,uridine_5_diphospho_N_acetlyglucosamine,,,35947,bmst000241,1
4,,1,1,1,,1,C4,C,,,68.622,,,,uridine_5_diphospho_N_acetlyglucosamine,,,35947,bmst000241,1
5,,1,1,1,,1,C5,C,,,69.522,,,,uridine_5_diphospho_N_acetlyglucosamine,,,35947,bmst000241,1
6,,1,1,1,,1,C6,C,,,166.865,,,,uridine_5_diphospho_N_acetlyglucosamine,,,35947,bmst000241,1
7,,1,1,1,,1,C7,C,,,157.063,,,,uridine_5_diphospho_N_acetlyglucosamine,,,35947,bmst000241,1
8,,1,1,1,,1,C8,C,,,80.502,,,,uridine_5_diphospho_N_acetlyglucosamine,,,35947,bmst000241,1
9,,1,1,1,,1,C9,C,,,94.899,,,,uridine_5_diphospho_N_acetlyglucosamine,,,35947,bmst000241,1
29,,1,1,1,,1,H31,H,,,3.208,,,,Thiamin,,,35957,bmst000242,1
10,,1,1,1,,1,C10,C,,,56.989,,,,uridine_5_diphospho_N_acetlyglucosamine,,,35947,bmst000241,1
11,,1,1,1,,1,C11,C,,,76.804,,,,uridine_5_diphospho_N_acetlyglucosamine,,,35947,bmst000241,1
12,,1,1,1,,1,C12,C,,,80.565,,,,uridine_5_diphospho_N_acetlyglucosamine,,,35947,bmst000241,1
13,,1,1,1,,1,C13,C,,,78.429,,,,uridine_5_diphospho_N_acetlyglucosamine,,,35947,bmst000241,1
14,,1,1,1,,1,C14,C,,,76.363,,,,uridine_5_diphospho_N_acetlyglucosamine,,,35947,bmst000241,1
15,,1,1,1,,1,C15,C,,,108.322,,,,uridine_5_diphospho_N_acetlyglucosamine,,,35947,bmst000241,1
16,,1,1,1,,1,C16,C,,,103.747,,,,uridine_5_diphospho_N_acetlyglucosamine,,,35947,bmst000241,1
17,,1,1,1,,1,C17,C,,,189.086,,,,uridine_5_diphospho_N_acetlyglucosamine,,,35947,bmst000241,1
18,,1,1,1,,1,N18,N,,,167.571,,,,uridine_5_diphospho_N_acetlyglucosamine,,,35947,bmst000241,1
19,,1,1,1,,1,N19,N,,,124.276,,,,uridine_5_diphospho_N_acetlyglucosamine,,,35947,bmst000241,1
20,,1,1,1,,1,N20,N,,,148.812,,,,uridine_5_diphospho_N_acetlyglucosamine,,,35947,bmst000241,1
21,,1,1,1,,1,P38,P,,,-5.606,,,,uridine_5_diphospho_N_acetlyglucosamine,,,35947,bmst000241,1
22,,1,1,1,,1,P39,P,,,-5.309,,,,uridine_5_diphospho_N_acetlyglucosamine,,,35947,bmst000241,1
23,,1,1,1,,1,H40,H,,,4.774,,,,uridine_5_diphospho_N_acetlyglucosamine,,,35947,bmst000241,1
24,,1,1,1,,1,H41,H,,,3.019,,,,uridine_5_diphospho_N_acetlyglucosamine,,,35947,bmst000241,1
25,,1,1,1,,1,H42,H,,,2.454,,,,uridine_5_diphospho_N_acetlyglucosamine,,,35947,bmst000241,1
26,,1,1,1,,1,H43,H,,,6.805,,,,uridine_5_diphospho_N_acetlyglucosamine,,,35947,bmst000241,1
27,,1,1,1,,1,H44,H,,,8.342,,,,uridine_5_diphospho_N_acetlyglucosamine,,,35947,bmst000241,1
28,,1,1,1,,1,H45,H,,,4.987,,,,uridine_5_diphospho_N_acetlyglucosamine,,,35947,bmst000241,1
29,,1,1,1,,1,H46,H,,,5.240,,,,uridine_5_diphospho_N_acetlyglucosamine,,,35947,bmst000241,1
30,,1,1,1,,1,H47,H,,,4.845,,,,uridine_5_diphospho_N_acetlyglucosamine,,,35947,bmst000241,1
31,,1,1,1,,1,H48,H,,,6.054,,,,uridine_5_diphospho_N_acetlyglucosamine,,,35947,bmst000241,1
32,,1,1,1,,1,H49,H,,,4.626,,,,uridine_5_diphospho_N_acetlyglucosamine,,,35947,bmst000241,1
33,,1,1,1,,1,H50,H,,,5.194,,,,uridine_5_diphospho_N_acetlyglucosamine,,,35947,bmst000241,1
34,,1,1,1,,1,H51,H,,,4.990,,,,uridine_5_diphospho_N_acetlyglucosamine,,,35947,bmst000241,1
35,,1,1,1,,1,H52,H,,,4.517,,,,uridine_5_diphospho_N_acetlyglucosamine,,,35947,bmst000241,1
36,,1,1,1,,1,H53,H,,,4.978,,,,uridine_5_diphospho_N_acetlyglucosamine,,,35947,bmst000241,1
37,,1,1,1,,1,H54,H,,,4.131,,,,uridine_5_diphospho_N_acetlyglucosamine,,,35947,bmst000241,1
38,,1,1,1,,1,H55,H,,,6.658,,,,uridine_5_diphospho_N_acetlyglucosamine,,,35947,bmst000241,1
39,,1,1,1,,1,H56,H,,,6.379,,,,uridine_5_diphospho_N_acetlyglucosamine,,,35947,bmst000241,1
40,,1,1,1,,1,H57,H,,,5.483,,,,uridine_5_diphospho_N_acetlyglucosamine,,,35947,bmst000241,1
41,,1,1,1,,1,H58,H,,,7.281,,,,uridine_5_diphospho_N_acetlyglucosamine,,,35947,bmst000241,1
42,,1,1,1,,1,H59,H,,,4.960,,,,uridine_5_diphospho_N_acetlyglucosamine,,,35947,bmst000241,1
43,,1,1,1,,1,H60,H,,,0.380,,,,uridine_5_diphospho_N_acetlyglucosamine,,,35947,bmst000241,1
44,,1,1,1,,1,H61,H,,,2.170,,,,uridine_5_diphospho_N_acetlyglucosamine,,,35947,bmst000241,1
45,,1,1,1,,1,H62,H,,,0.603,,,,uridine_5_diphospho_N_acetlyglucosamine,,,35947,bmst000241,1
46,,1,1,1,,1,H63,H,,,1.656,,,,uridine_5_diphospho_N_acetlyglucosamine,,,35947,bmst000241,1
47,,1,1,1,,1,H64,H,,,0.643,,,,uridine_5_diphospho_N_acetlyglucosamine,,,35947,bmst000241,1
48,,1,1,1,,1,H65,H,,,8.495,,,,uridine_5_diphospho_N_acetlyglucosamine,,,35947,bmst000241,1
49,,1,1,1,,1,H66,H,,,5.238,,,,uridine_5_diphospho_N_acetlyglucosamine,,,35947,bmst000241,1
1,,1,1,1,,1,N3,N,,,83.750,,,,Thiamin,,,35957,bmst000242,1
2,,1,1,1,,1,N4,N,,,231.300,,,,Thiamin,,,35957,bmst000242,1
3,,1,1,1,,1,N5,N,,,281.229,,,,Thiamin,,,35957,bmst000242,1
4,,1,1,1,,1,N6,N,,,307.034,,,,Thiamin,,,35957,bmst000242,1
5,,1,1,1,,1,C7,C,,,68.143,,,,Thiamin,,,35957,bmst000242,1
6,,1,1,1,,1,C8,C,,,32.677,,,,Thiamin,,,35957,bmst000242,1
7,,1,1,1,,1,C9,C,,,58.045,,,,Thiamin,,,35957,bmst000242,1
8,,1,1,1,,1,C10,C,,,27.804,,,,Thiamin,,,35957,bmst000242,1
9,,1,1,1,,1,C11,C,,,12.160,,,,Thiamin,,,35957,bmst000242,1
10,,1,1,1,,1,C12,C,,,184.767,,,,Thiamin,,,35957,bmst000242,1
11,,1,1,1,,1,C13,C,,,166.873,,,,Thiamin,,,35957,bmst000242,1
12,,1,1,1,,1,C14,C,,,153.363,,,,Thiamin,,,35957,bmst000242,1
13,,1,1,1,,1,C15,C,,,153.527,,,,Thiamin,,,35957,bmst000242,1
14,,1,1,1,,1,C16,C,,,107.674,,,,Thiamin,,,35957,bmst000242,1
15,,1,1,1,,1,C17,C,,,162.203,,,,Thiamin,,,35957,bmst000242,1
16,,1,1,1,,1,C18,C,,,164.277,,,,Thiamin,,,35957,bmst000242,1
17,,1,1,1,,1,H19,H,,,1.162,,,,Thiamin,,,35957,bmst000242,1
18,,1,1,1,,1,H20,H,,,5.599,,,,Thiamin,,,35957,bmst000242,1
19,,1,1,1,,1,H21,H,,,4.739,,,,Thiamin,,,35957,bmst000242,1
20,,1,1,1,,1,H22,H,,,4.925,,,,Thiamin,,,35957,bmst000242,1
21,,1,1,1,,1,H23,H,,,4.894,,,,Thiamin,,,35957,bmst000242,1
22,,1,1,1,,1,H24,H,,,4.364,,,,Thiamin,,,35957,bmst000242,1
23,,1,1,1,,1,H25,H,,,4.487,,,,Thiamin,,,35957,bmst000242,1
24,,1,1,1,,1,H26,H,,,6.319,,,,Thiamin,,,35957,bmst000242,1
25,,1,1,1,,1,H27,H,,,6.372,,,,Thiamin,,,35957,bmst000242,1
26,,1,1,1,,1,H28,H,,,4.198,,,,Thiamin,,,35957,bmst000242,1
27,,1,1,1,,1,H29,H,,,4.442,,,,Thiamin,,,35957,bmst000242,1
28,,1,1,1,,1,H30,H,,,3.799,,,,Thiamin,,,35957,bmst000242,1
30,,1,1,1,,1,H32,H,,,3.964,,,,Thiamin,,,35957,bmst000242,1
31,,1,1,1,,1,H33,H,,,4.004,,,,Thiamin,,,35957,bmst000242,1
32,,1,1,1,,1,H34,H,,,10.252,,,,Thiamin,,,35957,bmst000242,1
33,,1,1,1,,1,H35,H,,,9.247,,,,Thiamin,,,35957,bmst000242,1
1,,1,1,1,,1,N2,N,,,74.927,,,,cytosine,,,35967,bmst000243,1
2,,1,1,1,,1,N3,N,,,144.480,,,,cytosine,,,35967,bmst000243,1
3,,1,1,1,,1,N4,N,,,290.533,,,,cytosine,,,35967,bmst000243,1
4,,1,1,1,,1,C5,C,,,150.979,,,,cytosine,,,35967,bmst000243,1
5,,1,1,1,,1,C6,C,,,153.250,,,,cytosine,,,35967,bmst000243,1
6,,1,1,1,,1,C7,C,,,164.175,,,,cytosine,,,35967,bmst000243,1
7,,1,1,1,,1,C8,C,,,84.214,,,,cytosine,,,35967,bmst000243,1
8,,1,1,1,,1,H9,H,,,3.845,,,,cytosine,,,35967,bmst000243,1
9,,1,1,1,,1,H10,H,,,3.994,,,,cytosine,,,35967,bmst000243,1
10,,1,1,1,,1,H11,H,,,6.629,,,,cytosine,,,35967,bmst000243,1
11,,1,1,1,,1,H12,H,,,9.624,,,,cytosine,,,35967,bmst000243,1
12,,1,1,1,,1,H13,H,,,6.391,,,,cytosine,,,35967,bmst000243,1
1,,1,1,1,,1,P1,P,,,0.427,,,,UMP,,,35977,bmst000244,1
2,,1,1,1,,1,N11,N,,,155.938,,,,UMP,,,35977,bmst000244,1
3,,1,1,1,,1,N12,N,,,165.870,,,,UMP,,,35977,bmst000244,1
4,,1,1,1,,1,C13,C,,,71.152,,,,UMP,,,35977,bmst000244,1
5,,1,1,1,,1,C14,C,,,107.834,,,,UMP,,,35977,bmst000244,1
6,,1,1,1,,1,C15,C,,,91.746,,,,UMP,,,35977,bmst000244,1
7,,1,1,1,,1,C16,C,,,80.502,,,,UMP,,,35977,bmst000244,1
8,,1,1,1,,1,C17,C,,,75.863,,,,UMP,,,35977,bmst000244,1
9,,1,1,1,,1,C18,C,,,156.425,,,,UMP,,,35977,bmst000244,1
10,,1,1,1,,1,C19,C,,,166.991,,,,UMP,,,35977,bmst000244,1
11,,1,1,1,,1,C20,C,,,151.291,,,,UMP,,,35977,bmst000244,1
12,,1,1,1,,1,C21,C,,,108.587,,,,UMP,,,35977,bmst000244,1
13,,1,1,1,,1,H22,H,,,3.751,,,,UMP,,,35977,bmst000244,1
14,,1,1,1,,1,H23,H,,,3.929,,,,UMP,,,35977,bmst000244,1
15,,1,1,1,,1,H24,H,,,1.020,,,,UMP,,,35977,bmst000244,1
16,,1,1,1,,1,H25,H,,,1.149,,,,UMP,,,35977,bmst000244,1
17,,1,1,1,,1,H26,H,,,7.241,,,,UMP,,,35977,bmst000244,1
18,,1,1,1,,1,H27,H,,,5.421,,,,UMP,,,35977,bmst000244,1
19,,1,1,1,,1,H28,H,,,5.431,,,,UMP,,,35977,bmst000244,1
20,,1,1,1,,1,H29,H,,,5.827,,,,UMP,,,35977,bmst000244,1
21,,1,1,1,,1,H30,H,,,4.903,,,,UMP,,,35977,bmst000244,1
22,,1,1,1,,1,H31,H,,,5.228,,,,UMP,,,35977,bmst000244,1
23,,1,1,1,,1,H32,H,,,5.488,,,,UMP,,,35977,bmst000244,1
24,,1,1,1,,1,H33,H,,,8.281,,,,UMP,,,35977,bmst000244,1
25,,1,1,1,,1,H34,H,,,6.773,,,,UMP,,,35977,bmst000244,1
1,,1,1,1,,1,C1,C,,,144.679,,,,inosine_5_monophosphate,,,35987,bmst000245,1
2,,1,1,1,,1,C2,C,,,134.633,,,,inosine_5_monophosphate,,,35987,bmst000245,1
3,,1,1,1,,1,C3,C,,,70.885,,,,inosine_5_monophosphate,,,35987,bmst000245,1
4,,1,1,1,,1,C4,C,,,133.813,,,,inosine_5_monophosphate,,,35987,bmst000245,1
5,,1,1,1,,1,C5,C,,,140.369,,,,inosine_5_monophosphate,,,35987,bmst000245,1
6,,1,1,1,,1,C6,C,,,169.581,,,,inosine_5_monophosphate,,,35987,bmst000245,1
7,,1,1,1,,1,C7,C,,,91.092,,,,inosine_5_monophosphate,,,35987,bmst000245,1
8,,1,1,1,,1,C8,C,,,77.818,,,,inosine_5_monophosphate,,,35987,bmst000245,1
9,,1,1,1,,1,C9,C,,,83.101,,,,inosine_5_monophosphate,,,35987,bmst000245,1
10,,1,1,1,,1,C10,C,,,97.891,,,,inosine_5_monophosphate,,,35987,bmst000245,1
11,,1,1,1,,1,N11,N,,,127.855,,,,inosine_5_monophosphate,,,35987,bmst000245,1
12,,1,1,1,,1,N12,N,,,307.438,,,,inosine_5_monophosphate,,,35987,bmst000245,1
13,,1,1,1,,1,N13,N,,,294.260,,,,inosine_5_monophosphate,,,35987,bmst000245,1
14,,1,1,1,,1,N14,N,,,160.934,,,,inosine_5_monophosphate,,,35987,bmst000245,1
15,,1,1,1,,1,P23,P,,,0.495,,,,inosine_5_monophosphate,,,35987,bmst000245,1
16,,1,1,1,,1,H24,H,,,9.274,,,,inosine_5_monophosphate,,,35987,bmst000245,1
17,,1,1,1,,1,H25,H,,,8.304,,,,inosine_5_monophosphate,,,35987,bmst000245,1
18,,1,1,1,,1,H26,H,,,5.251,,,,inosine_5_monophosphate,,,35987,bmst000245,1
19,,1,1,1,,1,H27,H,,,4.878,,,,inosine_5_monophosphate,,,35987,bmst000245,1
20,,1,1,1,,1,H28,H,,,5.293,,,,inosine_5_monophosphate,,,35987,bmst000245,1
21,,1,1,1,,1,H29,H,,,4.891,,,,inosine_5_monophosphate,,,35987,bmst000245,1
22,,1,1,1,,1,H30,H,,,4.309,,,,inosine_5_monophosphate,,,35987,bmst000245,1
23,,1,1,1,,1,H31,H,,,7.199,,,,inosine_5_monophosphate,,,35987,bmst000245,1
24,,1,1,1,,1,H32,H,,,9.331,,,,inosine_5_monophosphate,,,35987,bmst000245,1
25,,1,1,1,,1,H33,H,,,1.023,,,,inosine_5_monophosphate,,,35987,bmst000245,1
26,,1,1,1,,1,H34,H,,,1.117,,,,inosine_5_monophosphate,,,35987,bmst000245,1
27,,1,1,1,,1,H35,H,,,4.426,,,,inosine_5_monophosphate,,,35987,bmst000245,1
28,,1,1,1,,1,H36,H,,,4.150,,,,inosine_5_monophosphate,,,35987,bmst000245,1
1,,1,1,1,,1,C1,C,,,77.299,,,,alpha_D_glucuronate,,,35997,bmst000246,1
2,,1,1,1,,1,C2,C,,,79.024,,,,alpha_D_glucuronate,,,35997,bmst000246,1
3,,1,1,1,,1,C3,C,,,98.633,,,,alpha_D_glucuronate,,,35997,bmst000246,1
4,,1,1,1,,1,C5,C,,,75.286,,,,alpha_D_glucuronate,,,35997,bmst000246,1
5,,1,1,1,,1,C6,C,,,76.501,,,,alpha_D_glucuronate,,,35997,bmst000246,1
6,,1,1,1,,1,C7,C,,,183.991,,,,alpha_D_glucuronate,,,35997,bmst000246,1
7,,1,1,1,,1,H14,H,,,4.718,,,,alpha_D_glucuronate,,,35997,bmst000246,1
8,,1,1,1,,1,H15,H,,,4.190,,,,alpha_D_glucuronate,,,35997,bmst000246,1
9,,1,1,1,,1,H16,H,,,6.104,,,,alpha_D_glucuronate,,,35997,bmst000246,1
10,,1,1,1,,1,H17,H,,,5.568,,,,alpha_D_glucuronate,,,35997,bmst000246,1
11,,1,1,1,,1,H18,H,,,5.076,,,,alpha_D_glucuronate,,,35997,bmst000246,1
12,,1,1,1,,1,H19,H,,,6.698,,,,alpha_D_glucuronate,,,35997,bmst000246,1
13,,1,1,1,,1,H20,H,,,1.795,,,,alpha_D_glucuronate,,,35997,bmst000246,1
14,,1,1,1,,1,H21,H,,,1.918,,,,alpha_D_glucuronate,,,35997,bmst000246,1
15,,1,1,1,,1,H22,H,,,0.928,,,,alpha_D_glucuronate,,,35997,bmst000246,1
16,,1,1,1,,1,H23,H,,,2.985,,,,alpha_D_glucuronate,,,35997,bmst000246,1
1,,1,1,1,,1,C1,C,,,80.156,,,,beta_D_glucuronate,,,36007,bmst000247,1
2,,1,1,1,,1,C2,C,,,78.589,,,,beta_D_glucuronate,,,36007,bmst000247,1
3,,1,1,1,,1,C3,C,,,106.974,,,,beta_D_glucuronate,,,36007,bmst000247,1
4,,1,1,1,,1,C5,C,,,80.919,,,,beta_D_glucuronate,,,36007,bmst000247,1
5,,1,1,1,,1,C6,C,,,76.899,,,,beta_D_glucuronate,,,36007,bmst000247,1
6,,1,1,1,,1,C7,C,,,182.528,,,,beta_D_glucuronate,,,36007,bmst000247,1
7,,1,1,1,,1,H14,H,,,4.428,,,,beta_D_glucuronate,,,36007,bmst000247,1
8,,1,1,1,,1,H15,H,,,4.345,,,,beta_D_glucuronate,,,36007,bmst000247,1
9,,1,1,1,,1,H16,H,,,5.295,,,,beta_D_glucuronate,,,36007,bmst000247,1
10,,1,1,1,,1,H17,H,,,4.686,,,,beta_D_glucuronate,,,36007,bmst000247,1
11,,1,1,1,,1,H18,H,,,5.200,,,,beta_D_glucuronate,,,36007,bmst000247,1
12,,1,1,1,,1,H19,H,,,6.668,,,,beta_D_glucuronate,,,36007,bmst000247,1
13,,1,1,1,,1,H20,H,,,2.171,,,,beta_D_glucuronate,,,36007,bmst000247,1
14,,1,1,1,,1,H21,H,,,1.908,,,,beta_D_glucuronate,,,36007,bmst000247,1
15,,1,1,1,,1,H22,H,,,1.606,,,,beta_D_glucuronate,,,36007,bmst000247,1
16,,1,1,1,,1,H23,H,,,2.234,,,,beta_D_glucuronate,,,36007,bmst000247,1
1,,1,1,1,,1,N1,N,,,43.994,,,,L_valine,,,36017,bmst000248,1
2,,1,1,1,,1,C2,C,,,62.701,,,,L_valine,,,36017,bmst000248,1
3,,1,1,1,,1,C3,C,,,179.753,,,,L_valine,,,36017,bmst000248,1
4,,1,1,1,,1,C5,C,,,31.128,,,,L_valine,,,36017,bmst000248,1
5,,1,1,1,,1,C6,C,,,17.934,,,,L_valine,,,36017,bmst000248,1
6,,1,1,1,,1,C7,C,,,17.540,,,,L_valine,,,36017,bmst000248,1
7,,1,1,1,,1,H9,H,,,1.753,,,,L_valine,,,36017,bmst000248,1
8,,1,1,1,,1,H10,H,,,1.350,,,,L_valine,,,36017,bmst000248,1
9,,1,1,1,,1,H11,H,,,3.628,,,,L_valine,,,36017,bmst000248,1
10,,1,1,1,,1,H12,H,,,2.765,,,,L_valine,,,36017,bmst000248,1
11,,1,1,1,,1,H13,H,,,3.496,,,,L_valine,,,36017,bmst000248,1
12,,1,1,1,,1,H14,H,,,1.953,,,,L_valine,,,36017,bmst000248,1
13,,1,1,1,,1,H15,H,,,1.693,,,,L_valine,,,36017,bmst000248,1
14,,1,1,1,,1,H16,H,,,2.135,,,,L_valine,,,36017,bmst000248,1
15,,1,1,1,,1,H17,H,,,1.870,,,,L_valine,,,36017,bmst000248,1
16,,1,1,1,,1,H18,H,,,1.992,,,,L_valine,,,36017,bmst000248,1
17,,1,1,1,,1,H19,H,,,6.058,,,,L_valine,,,36017,bmst000248,1
1,,1,1,1,,1,C1,C,,,134.200,,,,L_tyrosine,,,36027,bmst000249,1
2,,1,1,1,,1,C2,C,,,132.463,,,,L_tyrosine,,,36027,bmst000249,1
3,,1,1,1,,1,C3,C,,,113.781,,,,L_tyrosine,,,36027,bmst000249,1
4,,1,1,1,,1,C4,C,,,114.865,,,,L_tyrosine,,,36027,bmst000249,1
5,,1,1,1,,1,C5,C,,,36.069,,,,L_tyrosine,,,36027,bmst000249,1
6,,1,1,1,,1,C6,C,,,129.998,,,,L_tyrosine,,,36027,bmst000249,1
7,,1,1,1,,1,C7,C,,,157.827,,,,L_tyrosine,,,36027,bmst000249,1
8,,1,1,1,,1,C8,C,,,55.520,,,,L_tyrosine,,,36027,bmst000249,1
9,,1,1,1,,1,C9,C,,,180.326,,,,L_tyrosine,,,36027,bmst000249,1
10,,1,1,1,,1,N10,N,,,44.650,,,,L_tyrosine,,,36027,bmst000249,1
11,,1,1,1,,1,H14,H,,,9.091,,,,L_tyrosine,,,36027,bmst000249,1
12,,1,1,1,,1,H15,H,,,8.349,,,,L_tyrosine,,,36027,bmst000249,1
13,,1,1,1,,1,H16,H,,,7.418,,,,L_tyrosine,,,36027,bmst000249,1
14,,1,1,1,,1,H17,H,,,8.014,,,,L_tyrosine,,,36027,bmst000249,1
15,,1,1,1,,1,H18,H,,,3.834,,,,L_tyrosine,,,36027,bmst000249,1
16,,1,1,1,,1,H19,H,,,3.597,,,,L_tyrosine,,,36027,bmst000249,1
17,,1,1,1,,1,H20,H,,,4.338,,,,L_tyrosine,,,36027,bmst000249,1
18,,1,1,1,,1,H21,H,,,1.922,,,,L_tyrosine,,,36027,bmst000249,1
19,,1,1,1,,1,H22,H,,,1.200,,,,L_tyrosine,,,36027,bmst000249,1
20,,1,1,1,,1,H23,H,,,4.304,,,,L_tyrosine,,,36027,bmst000249,1
21,,1,1,1,,1,H24,H,,,6.284,,,,L_tyrosine,,,36027,bmst000249,1
1,,1,1,1,,1,C1,C,,,120.100,,,,L_tryptophan,,,36037,bmst000250,1
2,,1,1,1,,1,C2,C,,,122.330,,,,L_tryptophan,,,36037,bmst000250,1
3,,1,1,1,,1,C3,C,,,119.726,,,,L_tryptophan,,,36037,bmst000250,1
4,,1,1,1,,1,C4,C,,,109.752,,,,L_tryptophan,,,36037,bmst000250,1
5,,1,1,1,,1,C5,C,,,125.838,,,,L_tryptophan,,,36037,bmst000250,1
6,,1,1,1,,1,C6,C,,,27.086,,,,L_tryptophan,,,36037,bmst000250,1
7,,1,1,1,,1,C7,C,,,126.295,,,,L_tryptophan,,,36037,bmst000250,1
8,,1,1,1,,1,C8,C,,,132.227,,,,L_tryptophan,,,36037,bmst000250,1
9,,1,1,1,,1,C9,C,,,113.417,,,,L_tryptophan,,,36037,bmst000250,1
10,,1,1,1,,1,C10,C,,,57.142,,,,L_tryptophan,,,36037,bmst000250,1
11,,1,1,1,,1,C11,C,,,180.659,,,,L_tryptophan,,,36037,bmst000250,1
12,,1,1,1,,1,N12,N,,,41.650,,,,L_tryptophan,,,36037,bmst000250,1
13,,1,1,1,,1,N13,N,,,134.968,,,,L_tryptophan,,,36037,bmst000250,1
14,,1,1,1,,1,H16,H,,,8.335,,,,L_tryptophan,,,36037,bmst000250,1
15,,1,1,1,,1,H17,H,,,8.313,,,,L_tryptophan,,,36037,bmst000250,1
16,,1,1,1,,1,H18,H,,,8.791,,,,L_tryptophan,,,36037,bmst000250,1
17,,1,1,1,,1,H19,H,,,8.164,,,,L_tryptophan,,,36037,bmst000250,1
18,,1,1,1,,1,H20,H,,,9.582,,,,L_tryptophan,,,36037,bmst000250,1
19,,1,1,1,,1,H21,H,,,3.643,,,,L_tryptophan,,,36037,bmst000250,1
20,,1,1,1,,1,H22,H,,,4.885,,,,L_tryptophan,,,36037,bmst000250,1
21,,1,1,1,,1,H23,H,,,4.822,,,,L_tryptophan,,,36037,bmst000250,1
22,,1,1,1,,1,H24,H,,,2.250,,,,L_tryptophan,,,36037,bmst000250,1
23,,1,1,1,,1,H25,H,,,1.388,,,,L_tryptophan,,,36037,bmst000250,1
24,,1,1,1,,1,H26,H,,,7.663,,,,L_tryptophan,,,36037,bmst000250,1
25,,1,1,1,,1,H27,H,,,6.480,,,,L_tryptophan,,,36037,bmst000250,1
1,,1,1,1,,1,C1,C,,,19.830,,,,L_threonine,,,36047,bmst000251,1
2,,1,1,1,,1,C2,C,,,70.194,,,,L_threonine,,,36047,bmst000251,1
3,,1,1,1,,1,C3,C,,,58.088,,,,L_threonine,,,36047,bmst000251,1
4,,1,1,1,,1,C4,C,,,181.986,,,,L_threonine,,,36047,bmst000251,1
5,,1,1,1,,1,N7,N,,,25.633,,,,L_threonine,,,36047,bmst000251,1
6,,1,1,1,,1,H9,H,,,1.776,,,,L_threonine,,,36047,bmst000251,1
7,,1,1,1,,1,H10,H,,,2.256,,,,L_threonine,,,36047,bmst000251,1
8,,1,1,1,,1,H11,H,,,3.519,,,,L_threonine,,,36047,bmst000251,1
9,,1,1,1,,1,H12,H,,,5.502,,,,L_threonine,,,36047,bmst000251,1
10,,1,1,1,,1,H13,H,,,4.085,,,,L_threonine,,,36047,bmst000251,1
11,,1,1,1,,1,H14,H,,,-0.006,,,,L_threonine,,,36047,bmst000251,1
12,,1,1,1,,1,H15,H,,,1.487,,,,L_threonine,,,36047,bmst000251,1
13,,1,1,1,,1,H16,H,,,2.166,,,,L_threonine,,,36047,bmst000251,1
14,,1,1,1,,1,H17,H,,,6.411,,,,L_threonine,,,36047,bmst000251,1
1,,1,1,1,,1,C2,C,,,66.984,,,,L_threitol,,,36057,bmst000252,1
2,,1,1,1,,1,C3,C,,,71.612,,,,L_threitol,,,36057,bmst000252,1
3,,1,1,1,,1,C4,C,,,71.612,,,,L_threitol,,,36057,bmst000252,1
4,,1,1,1,,1,C5,C,,,66.984,,,,L_threitol,,,36057,bmst000252,1
5,,1,1,1,,1,H9,H,,,0.267,,,,L_threitol,,,36057,bmst000252,1
6,,1,1,1,,1,H10,H,,,4.448,,,,L_threitol,,,36057,bmst000252,1
7,,1,1,1,,1,H11,H,,,5.248,,,,L_threitol,,,36057,bmst000252,1
8,,1,1,1,,1,H12,H,,,4.641,,,,L_threitol,,,36057,bmst000252,1
9,,1,1,1,,1,H13,H,,,4.641,,,,L_threitol,,,36057,bmst000252,1
10,,1,1,1,,1,H14,H,,,4.448,,,,L_threitol,,,36057,bmst000252,1
11,,1,1,1,,1,H15,H,,,5.248,,,,L_threitol,,,36057,bmst000252,1
12,,1,1,1,,1,H16,H,,,0.267,,,,L_threitol,,,36057,bmst000252,1
13,,1,1,1,,1,H17,H,,,2.684,,,,L_threitol,,,36057,bmst000252,1
14,,1,1,1,,1,H18,H,,,2.684,,,,L_threitol,,,36057,bmst000252,1
1,,1,1,1,,1,N1,N,,,31.898,,,,L_serine,,,36067,bmst000253,1
2,,1,1,1,,1,C2,C,,,55.411,,,,L_serine,,,36067,bmst000253,1
3,,1,1,1,,1,C3,C,,,176.354,,,,L_serine,,,36067,bmst000253,1
4,,1,1,1,,1,C5,C,,,66.275,,,,L_serine,,,36067,bmst000253,1
5,,1,1,1,,1,H8,H,,,1.731,,,,L_serine,,,36067,bmst000253,1
6,,1,1,1,,1,H9,H,,,1.831,,,,L_serine,,,36067,bmst000253,1
7,,1,1,1,,1,H10,H,,,4.926,,,,L_serine,,,36067,bmst000253,1
8,,1,1,1,,1,H11,H,,,5.361,,,,L_serine,,,36067,bmst000253,1
9,,1,1,1,,1,H12,H,,,4.936,,,,L_serine,,,36067,bmst000253,1
10,,1,1,1,,1,H13,H,,,0.258,,,,L_serine,,,36067,bmst000253,1
11,,1,1,1,,1,H14,H,,,6.322,,,,L_serine,,,36067,bmst000253,1
1,,1,1,1,,1,N1,N,,,53.643,,,,L_proline,,,36077,bmst000254,1
2,,1,1,1,,1,C2,C,,,59.449,,,,L_proline,,,36077,bmst000254,1
3,,1,1,1,,1,C3,C,,,178.668,,,,L_proline,,,36077,bmst000254,1
4,,1,1,1,,1,C5,C,,,28.296,,,,L_proline,,,36077,bmst000254,1
5,,1,1,1,,1,C6,C,,,25.351,,,,L_proline,,,36077,bmst000254,1
6,,1,1,1,,1,C7,C,,,47.462,,,,L_proline,,,36077,bmst000254,1
7,,1,1,1,,1,H9,H,,,1.177,,,,L_proline,,,36077,bmst000254,1
8,,1,1,1,,1,H10,H,,,4.280,,,,L_proline,,,36077,bmst000254,1
9,,1,1,1,,1,H11,H,,,2.833,,,,L_proline,,,36077,bmst000254,1
10,,1,1,1,,1,H12,H,,,3.107,,,,L_proline,,,36077,bmst000254,1
11,,1,1,1,,1,H13,H,,,3.520,,,,L_proline,,,36077,bmst000254,1
12,,1,1,1,,1,H14,H,,,2.587,,,,L_proline,,,36077,bmst000254,1
13,,1,1,1,,1,H15,H,,,4.284,,,,L_proline,,,36077,bmst000254,1
14,,1,1,1,,1,H16,H,,,3.739,,,,L_proline,,,36077,bmst000254,1
15,,1,1,1,,1,H17,H,,,6.051,,,,L_proline,,,36077,bmst000254,1
1,,1,1,1,,1,C1,C,,,127.360,,,,L_phenylalanine,,,36087,bmst000255,1
2,,1,1,1,,1,C2,C,,,128.226,,,,L_phenylalanine,,,36087,bmst000255,1
3,,1,1,1,,1,C3,C,,,128.400,,,,L_phenylalanine,,,36087,bmst000255,1
4,,1,1,1,,1,C4,C,,,130.422,,,,L_phenylalanine,,,36087,bmst000255,1
5,,1,1,1,,1,C5,C,,,133.599,,,,L_phenylalanine,,,36087,bmst000255,1
6,,1,1,1,,1,C6,C,,,37.847,,,,L_phenylalanine,,,36087,bmst000255,1
7,,1,1,1,,1,C7,C,,,139.036,,,,L_phenylalanine,,,36087,bmst000255,1
8,,1,1,1,,1,C8,C,,,55.208,,,,L_phenylalanine,,,36087,bmst000255,1
9,,1,1,1,,1,C9,C,,,179.914,,,,L_phenylalanine,,,36087,bmst000255,1
10,,1,1,1,,1,N10,N,,,46.068,,,,L_phenylalanine,,,36087,bmst000255,1
11,,1,1,1,,1,H13,H,,,8.471,,,,L_phenylalanine,,,36087,bmst000255,1
12,,1,1,1,,1,H14,H,,,8.505,,,,L_phenylalanine,,,36087,bmst000255,1
13,,1,1,1,,1,H15,H,,,8.533,,,,L_phenylalanine,,,36087,bmst000255,1
14,,1,1,1,,1,H16,H,,,8.420,,,,L_phenylalanine,,,36087,bmst000255,1
15,,1,1,1,,1,H17,H,,,9.081,,,,L_phenylalanine,,,36087,bmst000255,1
16,,1,1,1,,1,H18,H,,,3.674,,,,L_phenylalanine,,,36087,bmst000255,1
17,,1,1,1,,1,H19,H,,,3.824,,,,L_phenylalanine,,,36087,bmst000255,1
18,,1,1,1,,1,H20,H,,,4.317,,,,L_phenylalanine,,,36087,bmst000255,1
19,,1,1,1,,1,H21,H,,,1.803,,,,L_phenylalanine,,,36087,bmst000255,1
20,,1,1,1,,1,H22,H,,,1.235,,,,L_phenylalanine,,,36087,bmst000255,1
21,,1,1,1,,1,H23,H,,,6.218,,,,L_phenylalanine,,,36087,bmst000255,1
1,,1,1,1,,1,N1,N,,,38.784,,,,L_methionine,,,36097,bmst000256,1
2,,1,1,1,,1,C2,C,,,55.502,,,,L_methionine,,,36097,bmst000256,1
3,,1,1,1,,1,C3,C,,,179.798,,,,L_methionine,,,36097,bmst000256,1
4,,1,1,1,,1,C5,C,,,31.947,,,,L_methionine,,,36097,bmst000256,1
5,,1,1,1,,1,C6,C,,,32.272,,,,L_methionine,,,36097,bmst000256,1
6,,1,1,1,,1,C8,C,,,15.555,,,,L_methionine,,,36097,bmst000256,1
7,,1,1,1,,1,H10,H,,,2.312,,,,L_methionine,,,36097,bmst000256,1
8,,1,1,1,,1,H11,H,,,0.790,,,,L_methionine,,,36097,bmst000256,1
9,,1,1,1,,1,H12,H,,,4.325,,,,L_methionine,,,36097,bmst000256,1
10,,1,1,1,,1,H13,H,,,2.452,,,,L_methionine,,,36097,bmst000256,1
11,,1,1,1,,1,H14,H,,,3.181,,,,L_methionine,,,36097,bmst000256,1
12,,1,1,1,,1,H15,H,,,3.120,,,,L_methionine,,,36097,bmst000256,1
13,,1,1,1,,1,H16,H,,,3.992,,,,L_methionine,,,36097,bmst000256,1
14,,1,1,1,,1,H17,H,,,2.605,,,,L_methionine,,,36097,bmst000256,1
15,,1,1,1,,1,H18,H,,,2.888,,,,L_methionine,,,36097,bmst000256,1
16,,1,1,1,,1,H19,H,,,2.877,,,,L_methionine,,,36097,bmst000256,1
17,,1,1,1,,1,H20,H,,,6.549,,,,L_methionine,,,36097,bmst000256,1
1,,1,1,1,,1,C1,C,,,40.267,,,,L_malic_acid,,,36107,bmst000257,1
2,,1,1,1,,1,C2,C,,,182.645,,,,L_malic_acid,,,36107,bmst000257,1
3,,1,1,1,,1,C3,C,,,173.108,,,,L_malic_acid,,,36107,bmst000257,1
4,,1,1,1,,1,C4,C,,,67.012,,,,L_malic_acid,,,36107,bmst000257,1
5,,1,1,1,,1,H10,H,,,5.925,,,,L_malic_acid,,,36107,bmst000257,1
6,,1,1,1,,1,H11,H,,,3.893,,,,L_malic_acid,,,36107,bmst000257,1
7,,1,1,1,,1,H12,H,,,3.306,,,,L_malic_acid,,,36107,bmst000257,1
8,,1,1,1,,1,H13,H,,,6.774,,,,L_malic_acid,,,36107,bmst000257,1
9,,1,1,1,,1,H14,H,,,6.628,,,,L_malic_acid,,,36107,bmst000257,1
10,,1,1,1,,1,H15,H,,,2.740,,,,L_malic_acid,,,36107,bmst000257,1
1,,1,1,1,,1,N1,N,,,39.376,,,,L_lysine,,,36117,bmst000258,1
2,,1,1,1,,1,C2,C,,,55.415,,,,L_lysine,,,36117,bmst000258,1
3,,1,1,1,,1,C3,C,,,180.403,,,,L_lysine,,,36117,bmst000258,1
4,,1,1,1,,1,C5,C,,,35.200,,,,L_lysine,,,36117,bmst000258,1
5,,1,1,1,,1,C6,C,,,24.360,,,,L_lysine,,,36117,bmst000258,1
6,,1,1,1,,1,C7,C,,,31.388,,,,L_lysine,,,36117,bmst000258,1
7,,1,1,1,,1,C8,C,,,43.810,,,,L_lysine,,,36117,bmst000258,1
8,,1,1,1,,1,N9,N,,,37.678,,,,L_lysine,,,36117,bmst000258,1
9,,1,1,1,,1,H11,H,,,2.220,,,,L_lysine,,,36117,bmst000258,1
10,,1,1,1,,1,H12,H,,,0.721,,,,L_lysine,,,36117,bmst000258,1
11,,1,1,1,,1,H13,H,,,4.306,,,,L_lysine,,,36117,bmst000258,1
12,,1,1,1,,1,H14,H,,,2.365,,,,L_lysine,,,36117,bmst000258,1
13,,1,1,1,,1,H15,H,,,2.993,,,,L_lysine,,,36117,bmst000258,1
14,,1,1,1,,1,H16,H,,,2.009,,,,L_lysine,,,36117,bmst000258,1
15,,1,1,1,,1,H17,H,,,2.966,,,,L_lysine,,,36117,bmst000258,1
16,,1,1,1,,1,H18,H,,,2.184,,,,L_lysine,,,36117,bmst000258,1
17,,1,1,1,,1,H19,H,,,2.656,,,,L_lysine,,,36117,bmst000258,1
18,,1,1,1,,1,H20,H,,,3.670,,,,L_lysine,,,36117,bmst000258,1
19,,1,1,1,,1,H21,H,,,3.565,,,,L_lysine,,,36117,bmst000258,1
20,,1,1,1,,1,H22,H,,,0.839,,,,L_lysine,,,36117,bmst000258,1
21,,1,1,1,,1,H23,H,,,0.319,,,,L_lysine,,,36117,bmst000258,1
22,,1,1,1,,1,H24,H,,,6.437,,,,L_lysine,,,36117,bmst000258,1
1,,1,1,1,,1,N1,N,,,38.120,,,,L_leucine,,,36127,bmst000259,1
2,,1,1,1,,1,C2,C,,,51.910,,,,L_leucine,,,36127,bmst000259,1
3,,1,1,1,,1,C3,C,,,180.634,,,,L_leucine,,,36127,bmst000259,1
4,,1,1,1,,1,C5,C,,,42.318,,,,L_leucine,,,36127,bmst000259,1
5,,1,1,1,,1,C6,C,,,22.375,,,,L_leucine,,,36127,bmst000259,1
6,,1,1,1,,1,C7,C,,,21.776,,,,L_leucine,,,36127,bmst000259,1
7,,1,1,1,,1,C8,C,,,17.580,,,,L_leucine,,,36127,bmst000259,1
8,,1,1,1,,1,H10,H,,,2.196,,,,L_leucine,,,36127,bmst000259,1
9,,1,1,1,,1,H11,H,,,0.617,,,,L_leucine,,,36127,bmst000259,1
10,,1,1,1,,1,H12,H,,,4.577,,,,L_leucine,,,36127,bmst000259,1
11,,1,1,1,,1,H13,H,,,3.159,,,,L_leucine,,,36127,bmst000259,1
12,,1,1,1,,1,H14,H,,,2.034,,,,L_leucine,,,36127,bmst000259,1
13,,1,1,1,,1,H15,H,,,3.251,,,,L_leucine,,,36127,bmst000259,1
14,,1,1,1,,1,H16,H,,,2.153,,,,L_leucine,,,36127,bmst000259,1
15,,1,1,1,,1,H17,H,,,2.106,,,,L_leucine,,,36127,bmst000259,1
16,,1,1,1,,1,H18,H,,,1.836,,,,L_leucine,,,36127,bmst000259,1
17,,1,1,1,,1,H19,H,,,2.015,,,,L_leucine,,,36127,bmst000259,1
18,,1,1,1,,1,H20,H,,,1.524,,,,L_leucine,,,36127,bmst000259,1
19,,1,1,1,,1,H21,H,,,2.413,,,,L_leucine,,,36127,bmst000259,1
20,,1,1,1,,1,H22,H,,,6.464,,,,L_leucine,,,36127,bmst000259,1
1,,1,1,1,,1,C1,C,,,23.514,,,,L_isoleucine,,,36137,bmst000260,1
2,,1,1,1,,1,C2,C,,,37.854,,,,L_isoleucine,,,36137,bmst000260,1
3,,1,1,1,,1,C3,C,,,62.238,,,,L_isoleucine,,,36137,bmst000260,1
4,,1,1,1,,1,C4,C,,,179.714,,,,L_isoleucine,,,36137,bmst000260,1
5,,1,1,1,,1,C6,C,,,10.823,,,,L_isoleucine,,,36137,bmst000260,1
6,,1,1,1,,1,C7,C,,,13.816,,,,L_isoleucine,,,36137,bmst000260,1
7,,1,1,1,,1,N8,N,,,43.188,,,,L_isoleucine,,,36137,bmst000260,1
8,,1,1,1,,1,H10,H,,,3.900,,,,L_isoleucine,,,36137,bmst000260,1
9,,1,1,1,,1,H11,H,,,1.761,,,,L_isoleucine,,,36137,bmst000260,1
10,,1,1,1,,1,H12,H,,,2.394,,,,L_isoleucine,,,36137,bmst000260,1
11,,1,1,1,,1,H13,H,,,3.645,,,,L_isoleucine,,,36137,bmst000260,1
12,,1,1,1,,1,H14,H,,,2.166,,,,L_isoleucine,,,36137,bmst000260,1
13,,1,1,1,,1,H15,H,,,1.742,,,,L_isoleucine,,,36137,bmst000260,1
14,,1,1,1,,1,H16,H,,,2.247,,,,L_isoleucine,,,36137,bmst000260,1
15,,1,1,1,,1,H17,H,,,1.617,,,,L_isoleucine,,,36137,bmst000260,1
16,,1,1,1,,1,H18,H,,,2.486,,,,L_isoleucine,,,36137,bmst000260,1
17,,1,1,1,,1,H19,H,,,1.828,,,,L_isoleucine,,,36137,bmst000260,1
18,,1,1,1,,1,H20,H,,,1.724,,,,L_isoleucine,,,36137,bmst000260,1
19,,1,1,1,,1,H21,H,,,1.360,,,,L_isoleucine,,,36137,bmst000260,1
20,,1,1,1,,1,H22,H,,,6.070,,,,L_isoleucine,,,36137,bmst000260,1
1,,1,1,1,,1,C1,C,,,130.555,,,,L_histidine,,,36147,bmst000261,1
2,,1,1,1,,1,C2,C,,,130.549,,,,L_histidine,,,36147,bmst000261,1
3,,1,1,1,,1,C3,C,,,30.339,,,,L_histidine,,,36147,bmst000261,1
4,,1,1,1,,1,C4,C,,,126.433,,,,L_histidine,,,36147,bmst000261,1
5,,1,1,1,,1,C5,C,,,54.835,,,,L_histidine,,,36147,bmst000261,1
6,,1,1,1,,1,C6,C,,,182.171,,,,L_histidine,,,36147,bmst000261,1
7,,1,1,1,,1,N7,N,,,36.146,,,,L_histidine,,,36147,bmst000261,1
8,,1,1,1,,1,N8,N,,,169.337,,,,L_histidine,,,36147,bmst000261,1
9,,1,1,1,,1,N9,N,,,296.302,,,,L_histidine,,,36147,bmst000261,1
10,,1,1,1,,1,H12,H,,,9.285,,,,L_histidine,,,36147,bmst000261,1
11,,1,1,1,,1,H13,H,,,8.416,,,,L_histidine,,,36147,bmst000261,1
12,,1,1,1,,1,H14,H,,,3.705,,,,L_histidine,,,36147,bmst000261,1
13,,1,1,1,,1,H15,H,,,3.865,,,,L_histidine,,,36147,bmst000261,1
14,,1,1,1,,1,H16,H,,,4.462,,,,L_histidine,,,36147,bmst000261,1
15,,1,1,1,,1,H17,H,,,1.659,,,,L_histidine,,,36147,bmst000261,1
16,,1,1,1,,1,H18,H,,,2.025,,,,L_histidine,,,36147,bmst000261,1
17,,1,1,1,,1,H19,H,,,8.591,,,,L_histidine,,,36147,bmst000261,1
18,,1,1,1,,1,H20,H,,,6.494,,,,L_histidine,,,36147,bmst000261,1
1,,1,1,1,,1,N1,N,,,40.929,,,,L_glutamine,,,36157,bmst000262,1
2,,1,1,1,,1,C2,C,,,58.548,,,,L_glutamine,,,36157,bmst000262,1
3,,1,1,1,,1,C3,C,,,179.575,,,,L_glutamine,,,36157,bmst000262,1
4,,1,1,1,,1,C5,C,,,27.517,,,,L_glutamine,,,36157,bmst000262,1
5,,1,1,1,,1,C6,C,,,33.534,,,,L_glutamine,,,36157,bmst000262,1
6,,1,1,1,,1,C7,C,,,170.537,,,,L_glutamine,,,36157,bmst000262,1
7,,1,1,1,,1,N9,N,,,108.164,,,,L_glutamine,,,36157,bmst000262,1
8,,1,1,1,,1,H11,H,,,2.098,,,,L_glutamine,,,36157,bmst000262,1
9,,1,1,1,,1,H12,H,,,0.933,,,,L_glutamine,,,36157,bmst000262,1
10,,1,1,1,,1,H13,H,,,4.266,,,,L_glutamine,,,36157,bmst000262,1
11,,1,1,1,,1,H14,H,,,3.207,,,,L_glutamine,,,36157,bmst000262,1
12,,1,1,1,,1,H15,H,,,2.973,,,,L_glutamine,,,36157,bmst000262,1
13,,1,1,1,,1,H16,H,,,3.030,,,,L_glutamine,,,36157,bmst000262,1
14,,1,1,1,,1,H17,H,,,3.398,,,,L_glutamine,,,36157,bmst000262,1
15,,1,1,1,,1,H18,H,,,4.825,,,,L_glutamine,,,36157,bmst000262,1
16,,1,1,1,,1,H19,H,,,5.473,,,,L_glutamine,,,36157,bmst000262,1
17,,1,1,1,,1,H20,H,,,6.401,,,,L_glutamine,,,36157,bmst000262,1
1,,1,1,1,,1,C1,C,,,182.446,,,,L_glutamic_acid,,,36167,bmst000263,1
2,,1,1,1,,1,C2,C,,,176.998,,,,L_glutamic_acid,,,36167,bmst000263,1
3,,1,1,1,,1,C4,C,,,53.182,,,,L_glutamic_acid,,,36167,bmst000263,1
4,,1,1,1,,1,C6,C,,,29.851,,,,L_glutamic_acid,,,36167,bmst000263,1
5,,1,1,1,,1,C7,C,,,31.838,,,,L_glutamic_acid,,,36167,bmst000263,1
6,,1,1,1,,1,N9,N,,,32.936,,,,L_glutamic_acid,,,36167,bmst000263,1
7,,1,1,1,,1,H11,H,,,4.098,,,,L_glutamic_acid,,,36167,bmst000263,1
8,,1,1,1,,1,H12,H,,,3.102,,,,L_glutamic_acid,,,36167,bmst000263,1
9,,1,1,1,,1,H13,H,,,3.024,,,,L_glutamic_acid,,,36167,bmst000263,1
10,,1,1,1,,1,H14,H,,,2.976,,,,L_glutamic_acid,,,36167,bmst000263,1
11,,1,1,1,,1,H15,H,,,4.859,,,,L_glutamic_acid,,,36167,bmst000263,1
12,,1,1,1,,1,H16,H,,,6.456,,,,L_glutamic_acid,,,36167,bmst000263,1
13,,1,1,1,,1,H17,H,,,1.313,,,,L_glutamic_acid,,,36167,bmst000263,1
14,,1,1,1,,1,H18,H,,,1.691,,,,L_glutamic_acid,,,36167,bmst000263,1
15,,1,1,1,,1,H19,H,,,6.275,,,,L_glutamic_acid,,,36167,bmst000263,1
1,,1,1,1,,1,C1,C,,,55.126,,,,L_cystine,,,36177,bmst000264,1
2,,1,1,1,,1,C2,C,,,42.917,,,,L_cystine,,,36177,bmst000264,1
3,,1,1,1,,1,C3,C,,,178.641,,,,L_cystine,,,36177,bmst000264,1
4,,1,1,1,,1,N4,N,,,39.531,,,,L_cystine,,,36177,bmst000264,1
5,,1,1,1,,1,C9,C,,,42.919,,,,L_cystine,,,36177,bmst000264,1
6,,1,1,1,,1,C10,C,,,55.129,,,,L_cystine,,,36177,bmst000264,1
7,,1,1,1,,1,C11,C,,,178.641,,,,L_cystine,,,36177,bmst000264,1
8,,1,1,1,,1,N12,N,,,39.529,,,,L_cystine,,,36177,bmst000264,1
9,,1,1,1,,1,H15,H,,,4.709,,,,L_cystine,,,36177,bmst000264,1
10,,1,1,1,,1,H16,H,,,3.958,,,,L_cystine,,,36177,bmst000264,1
11,,1,1,1,,1,H17,H,,,4.277,,,,L_cystine,,,36177,bmst000264,1
12,,1,1,1,,1,H18,H,,,1.722,,,,L_cystine,,,36177,bmst000264,1
13,,1,1,1,,1,H19,H,,,1.068,,,,L_cystine,,,36177,bmst000264,1
14,,1,1,1,,1,H20,H,,,6.426,,,,L_cystine,,,36177,bmst000264,1
15,,1,1,1,,1,H21,H,,,3.957,,,,L_cystine,,,36177,bmst000264,1
16,,1,1,1,,1,H22,H,,,4.278,,,,L_cystine,,,36177,bmst000264,1
17,,1,1,1,,1,H23,H,,,4.709,,,,L_cystine,,,36177,bmst000264,1
18,,1,1,1,,1,H24,H,,,1.723,,,,L_cystine,,,36177,bmst000264,1
19,,1,1,1,,1,H25,H,,,1.068,,,,L_cystine,,,36177,bmst000264,1
20,,1,1,1,,1,H26,H,,,6.426,,,,L_cystine,,,36177,bmst000264,1
1,,1,1,1,,1,N1,N,,,35.567,,,,L_cysteine,,,36187,bmst000265,1
2,,1,1,1,,1,C2,C,,,53.592,,,,L_cysteine,,,36187,bmst000265,1
3,,1,1,1,,1,C3,C,,,180.775,,,,L_cysteine,,,36187,bmst000265,1
4,,1,1,1,,1,C5,C,,,29.484,,,,L_cysteine,,,36187,bmst000265,1
5,,1,1,1,,1,H8,H,,,1.427,,,,L_cysteine,,,36187,bmst000265,1
6,,1,1,1,,1,H9,H,,,1.489,,,,L_cysteine,,,36187,bmst000265,1
7,,1,1,1,,1,H10,H,,,4.392,,,,L_cysteine,,,36187,bmst000265,1
8,,1,1,1,,1,H11,H,,,3.765,,,,L_cysteine,,,36187,bmst000265,1
9,,1,1,1,,1,H12,H,,,3.678,,,,L_cysteine,,,36187,bmst000265,1
10,,1,1,1,,1,H13,H,,,3.591,,,,L_cysteine,,,36187,bmst000265,1
11,,1,1,1,,1,H14,H,,,6.451,,,,L_cysteine,,,36187,bmst000265,1
1,,1,1,1,,1,C1,C,,,166.077,,,,L_carnitine,,,36197,bmst000266,1
2,,1,1,1,,1,C2,C,,,40.039,,,,L_carnitine,,,36197,bmst000266,1
3,,1,1,1,,1,N3,N,,,55.565,,,,L_carnitine,,,36197,bmst000266,1
4,,1,1,1,,1,C6,C,,,69.906,,,,L_carnitine,,,36197,bmst000266,1
5,,1,1,1,,1,C7,C,,,75.173,,,,L_carnitine,,,36197,bmst000266,1
6,,1,1,1,,1,C9,C,,,54.702,,,,L_carnitine,,,36197,bmst000266,1
7,,1,1,1,,1,C10,C,,,50.511,,,,L_carnitine,,,36197,bmst000266,1
8,,1,1,1,,1,C11,C,,,52.438,,,,L_carnitine,,,36197,bmst000266,1
9,,1,1,1,,1,H12,H,,,3.351,,,,L_carnitine,,,36197,bmst000266,1
10,,1,1,1,,1,H13,H,,,2.514,,,,L_carnitine,,,36197,bmst000266,1
11,,1,1,1,,1,H14,H,,,5.210,,,,L_carnitine,,,36197,bmst000266,1
12,,1,1,1,,1,H15,H,,,9.193,,,,L_carnitine,,,36197,bmst000266,1
13,,1,1,1,,1,H16,H,,,3.625,,,,L_carnitine,,,36197,bmst000266,1
14,,1,1,1,,1,H17,H,,,0.283,,,,L_carnitine,,,36197,bmst000266,1
15,,1,1,1,,1,H18,H,,,3.746,,,,L_carnitine,,,36197,bmst000266,1
16,,1,1,1,,1,H19,H,,,4.685,,,,L_carnitine,,,36197,bmst000266,1
17,,1,1,1,,1,H20,H,,,3.673,,,,L_carnitine,,,36197,bmst000266,1
18,,1,1,1,,1,H21,H,,,8.574,,,,L_carnitine,,,36197,bmst000266,1
19,,1,1,1,,1,H22,H,,,3.365,,,,L_carnitine,,,36197,bmst000266,1
20,,1,1,1,,1,H23,H,,,3.802,,,,L_carnitine,,,36197,bmst000266,1
21,,1,1,1,,1,H24,H,,,3.720,,,,L_carnitine,,,36197,bmst000266,1
22,,1,1,1,,1,H25,H,,,3.679,,,,L_carnitine,,,36197,bmst000266,1
23,,1,1,1,,1,H26,H,,,5.093,,,,L_carnitine,,,36197,bmst000266,1
1,,1,1,1,,1,N1,N,,,38.363,,,,L_canavanine,,,36207,bmst000267,1
2,,1,1,1,,1,C2,C,,,52.186,,,,L_canavanine,,,36207,bmst000267,1
3,,1,1,1,,1,C3,C,,,33.031,,,,L_canavanine,,,36207,bmst000267,1
4,,1,1,1,,1,C4,C,,,70.723,,,,L_canavanine,,,36207,bmst000267,1
5,,1,1,1,,1,C5,C,,,179.776,,,,L_canavanine,,,36207,bmst000267,1
6,,1,1,1,,1,N7,N,,,294.586,,,,L_canavanine,,,36207,bmst000267,1
7,,1,1,1,,1,C8,C,,,150.202,,,,L_canavanine,,,36207,bmst000267,1
8,,1,1,1,,1,N9,N,,,57.205,,,,L_canavanine,,,36207,bmst000267,1
9,,1,1,1,,1,N10,N,,,65.285,,,,L_canavanine,,,36207,bmst000267,1
10,,1,1,1,,1,H13,H,,,2.229,,,,L_canavanine,,,36207,bmst000267,1
11,,1,1,1,,1,H14,H,,,0.689,,,,L_canavanine,,,36207,bmst000267,1
12,,1,1,1,,1,H15,H,,,4.321,,,,L_canavanine,,,36207,bmst000267,1
13,,1,1,1,,1,H16,H,,,2.651,,,,L_canavanine,,,36207,bmst000267,1
14,,1,1,1,,1,H17,H,,,3.383,,,,L_canavanine,,,36207,bmst000267,1
15,,1,1,1,,1,H18,H,,,4.751,,,,L_canavanine,,,36207,bmst000267,1
16,,1,1,1,,1,H19,H,,,5.515,,,,L_canavanine,,,36207,bmst000267,1
17,,1,1,1,,1,H20,H,,,3.114,,,,L_canavanine,,,36207,bmst000267,1
18,,1,1,1,,1,H21,H,,,2.602,,,,L_canavanine,,,36207,bmst000267,1
19,,1,1,1,,1,H22,H,,,3.188,,,,L_canavanine,,,36207,bmst000267,1
20,,1,1,1,,1,H23,H,,,5.282,,,,L_canavanine,,,36207,bmst000267,1
21,,1,1,1,,1,H24,H,,,6.500,,,,L_canavanine,,,36207,bmst000267,1
1,,1,1,1,,1,N1,N,,,33.623,,,,L_aspartic_acid,,,36217,bmst000268,1
2,,1,1,1,,1,C2,C,,,52.101,,,,L_aspartic_acid,,,36217,bmst000268,1
3,,1,1,1,,1,C3,C,,,179.192,,,,L_aspartic_acid,,,36217,bmst000268,1
4,,1,1,1,,1,C5,C,,,40.208,,,,L_aspartic_acid,,,36217,bmst000268,1
5,,1,1,1,,1,C6,C,,,173.260,,,,L_aspartic_acid,,,36217,bmst000268,1
6,,1,1,1,,1,H10,H,,,2.501,,,,L_aspartic_acid,,,36217,bmst000268,1
7,,1,1,1,,1,H11,H,,,0.845,,,,L_aspartic_acid,,,36217,bmst000268,1
8,,1,1,1,,1,H12,H,,,5.203,,,,L_aspartic_acid,,,36217,bmst000268,1
9,,1,1,1,,1,H13,H,,,3.691,,,,L_aspartic_acid,,,36217,bmst000268,1
10,,1,1,1,,1,H14,H,,,3.685,,,,L_aspartic_acid,,,36217,bmst000268,1
11,,1,1,1,,1,H15,H,,,6.311,,,,L_aspartic_acid,,,36217,bmst000268,1
12,,1,1,1,,1,H16,H,,,6.656,,,,L_aspartic_acid,,,36217,bmst000268,1
1,,1,1,1,,1,N1,N,,,42.709,,,,L_asparagine,,,36227,bmst000269,1
2,,1,1,1,,1,C2,C,,,54.680,,,,L_asparagine,,,36227,bmst000269,1
3,,1,1,1,,1,C3,C,,,177.235,,,,L_asparagine,,,36227,bmst000269,1
4,,1,1,1,,1,C5,C,,,38.144,,,,L_asparagine,,,36227,bmst000269,1
5,,1,1,1,,1,C6,C,,,165.024,,,,L_asparagine,,,36227,bmst000269,1
6,,1,1,1,,1,N8,N,,,102.736,,,,L_asparagine,,,36227,bmst000269,1
7,,1,1,1,,1,H10,H,,,1.604,,,,L_asparagine,,,36227,bmst000269,1
8,,1,1,1,,1,H11,H,,,0.783,,,,L_asparagine,,,36227,bmst000269,1
9,,1,1,1,,1,H12,H,,,4.367,,,,L_asparagine,,,36227,bmst000269,1
10,,1,1,1,,1,H13,H,,,3.248,,,,L_asparagine,,,36227,bmst000269,1
11,,1,1,1,,1,H14,H,,,3.893,,,,L_asparagine,,,36227,bmst000269,1
12,,1,1,1,,1,H15,H,,,4.857,,,,L_asparagine,,,36227,bmst000269,1
13,,1,1,1,,1,H16,H,,,5.594,,,,L_asparagine,,,36227,bmst000269,1
14,,1,1,1,,1,H17,H,,,6.653,,,,L_asparagine,,,36227,bmst000269,1
1,,1,1,1,,1,N1,N,,,39.787,,,,L_arginine,,,36237,bmst000270,1
2,,1,1,1,,1,C2,C,,,55.393,,,,L_arginine,,,36237,bmst000270,1
3,,1,1,1,,1,C3,C,,,180.619,,,,L_arginine,,,36237,bmst000270,1
4,,1,1,1,,1,C5,C,,,32.282,,,,L_arginine,,,36237,bmst000270,1
5,,1,1,1,,1,C6,C,,,29.538,,,,L_arginine,,,36237,bmst000270,1
6,,1,1,1,,1,C7,C,,,46.644,,,,L_arginine,,,36237,bmst000270,1
7,,1,1,1,,1,N8,N,,,203.724,,,,L_arginine,,,36237,bmst000270,1
8,,1,1,1,,1,C9,C,,,146.936,,,,L_arginine,,,36237,bmst000270,1
9,,1,1,1,,1,N10,N,,,74.072,,,,L_arginine,,,36237,bmst000270,1
10,,1,1,1,,1,N11,N,,,68.994,,,,L_arginine,,,36237,bmst000270,1
11,,1,1,1,,1,H13,H,,,2.247,,,,L_arginine,,,36237,bmst000270,1
12,,1,1,1,,1,H14,H,,,0.690,,,,L_arginine,,,36237,bmst000270,1
13,,1,1,1,,1,H15,H,,,4.377,,,,L_arginine,,,36237,bmst000270,1
14,,1,1,1,,1,H16,H,,,2.203,,,,L_arginine,,,36237,bmst000270,1
15,,1,1,1,,1,H17,H,,,3.000,,,,L_arginine,,,36237,bmst000270,1
16,,1,1,1,,1,H18,H,,,2.521,,,,L_arginine,,,36237,bmst000270,1
17,,1,1,1,,1,H19,H,,,3.723,,,,L_arginine,,,36237,bmst000270,1
18,,1,1,1,,1,H20,H,,,4.031,,,,L_arginine,,,36237,bmst000270,1
19,,1,1,1,,1,H21,H,,,3.646,,,,L_arginine,,,36237,bmst000270,1
20,,1,1,1,,1,H22,H,,,3.331,,,,L_arginine,,,36237,bmst000270,1
21,,1,1,1,,1,H23,H,,,3.144,,,,L_arginine,,,36237,bmst000270,1
22,,1,1,1,,1,H24,H,,,3.469,,,,L_arginine,,,36237,bmst000270,1
23,,1,1,1,,1,H25,H,,,3.863,,,,L_arginine,,,36237,bmst000270,1
24,,1,1,1,,1,H26,H,,,6.533,,,,L_arginine,,,36237,bmst000270,1
1,,1,1,1,,1,C1,C,,,69.957,,,,L_arabitol,,,36247,bmst000271,1
2,,1,1,1,,1,C2,C,,,69.702,,,,L_arabitol,,,36247,bmst000271,1
3,,1,1,1,,1,C3,C,,,66.030,,,,L_arabitol,,,36247,bmst000271,1
4,,1,1,1,,1,C5,C,,,67.533,,,,L_arabitol,,,36247,bmst000271,1
5,,1,1,1,,1,C7,C,,,64.096,,,,L_arabitol,,,36247,bmst000271,1
6,,1,1,1,,1,H11,H,,,3.745,,,,L_arabitol,,,36247,bmst000271,1
7,,1,1,1,,1,H12,H,,,5.088,,,,L_arabitol,,,36247,bmst000271,1
8,,1,1,1,,1,H13,H,,,5.328,,,,L_arabitol,,,36247,bmst000271,1
9,,1,1,1,,1,H14,H,,,2.693,,,,L_arabitol,,,36247,bmst000271,1
10,,1,1,1,,1,H15,H,,,4.406,,,,L_arabitol,,,36247,bmst000271,1
11,,1,1,1,,1,H16,H,,,5.218,,,,L_arabitol,,,36247,bmst000271,1
12,,1,1,1,,1,H17,H,,,2.705,,,,L_arabitol,,,36247,bmst000271,1
13,,1,1,1,,1,H18,H,,,4.601,,,,L_arabitol,,,36247,bmst000271,1
14,,1,1,1,,1,H19,H,,,4.693,,,,L_arabitol,,,36247,bmst000271,1
15,,1,1,1,,1,H20,H,,,3.159,,,,L_arabitol,,,36247,bmst000271,1
16,,1,1,1,,1,H21,H,,,0.279,,,,L_arabitol,,,36247,bmst000271,1
17,,1,1,1,,1,H22,H,,,0.438,,,,L_arabitol,,,36247,bmst000271,1
1,,1,1,1,,1,N1,N,,,45.212,,,,L_alanine,,,36257,bmst000272,1
2,,1,1,1,,1,C2,C,,,54.136,,,,L_alanine,,,36257,bmst000272,1
3,,1,1,1,,1,C3,C,,,180.275,,,,L_alanine,,,36257,bmst000272,1
4,,1,1,1,,1,C5,C,,,18.573,,,,L_alanine,,,36257,bmst000272,1
5,,1,1,1,,1,H7,H,,,1.360,,,,L_alanine,,,36257,bmst000272,1
6,,1,1,1,,1,H8,H,,,0.739,,,,L_alanine,,,36257,bmst000272,1
7,,1,1,1,,1,H9,H,,,4.478,,,,L_alanine,,,36257,bmst000272,1
8,,1,1,1,,1,H10,H,,,2.096,,,,L_alanine,,,36257,bmst000272,1
9,,1,1,1,,1,H11,H,,,2.402,,,,L_alanine,,,36257,bmst000272,1
10,,1,1,1,,1,H12,H,,,3.044,,,,L_alanine,,,36257,bmst000272,1
11,,1,1,1,,1,H13,H,,,6.368,,,,L_alanine,,,36257,bmst000272,1
1,,1,1,1,,1,P1,P,,,-3.411,,,,ITP,,,36267,bmst000273,1
2,,1,1,1,,1,P2,P,,,-1.283,,,,ITP,,,36267,bmst000273,1
3,,1,1,1,,1,P3,P,,,5.551,,,,ITP,,,36267,bmst000273,1
4,,1,1,1,,1,N18,N,,,162.763,,,,ITP,,,36267,bmst000273,1
5,,1,1,1,,1,N19,N,,,128.595,,,,ITP,,,36267,bmst000273,1
6,,1,1,1,,1,N20,N,,,307.595,,,,ITP,,,36267,bmst000273,1
7,,1,1,1,,1,N21,N,,,295.792,,,,ITP,,,36267,bmst000273,1
8,,1,1,1,,1,C22,C,,,69.054,,,,ITP,,,36267,bmst000273,1
9,,1,1,1,,1,C23,C,,,93.934,,,,ITP,,,36267,bmst000273,1
10,,1,1,1,,1,C24,C,,,85.076,,,,ITP,,,36267,bmst000273,1
11,,1,1,1,,1,C25,C,,,79.778,,,,ITP,,,36267,bmst000273,1
12,,1,1,1,,1,C26,C,,,74.352,,,,ITP,,,36267,bmst000273,1
13,,1,1,1,,1,C27,C,,,134.377,,,,ITP,,,36267,bmst000273,1
14,,1,1,1,,1,C28,C,,,162.329,,,,ITP,,,36267,bmst000273,1
15,,1,1,1,,1,C29,C,,,127.420,,,,ITP,,,36267,bmst000273,1
16,,1,1,1,,1,C30,C,,,138.719,,,,ITP,,,36267,bmst000273,1
17,,1,1,1,,1,C31,C,,,127.143,,,,ITP,,,36267,bmst000273,1
18,,1,1,1,,1,H32,H,,,7.897,,,,ITP,,,36267,bmst000273,1
19,,1,1,1,,1,H33,H,,,7.915,,,,ITP,,,36267,bmst000273,1
20,,1,1,1,,1,H34,H,,,4.927,,,,ITP,,,36267,bmst000273,1
21,,1,1,1,,1,H35,H,,,6.520,,,,ITP,,,36267,bmst000273,1
22,,1,1,1,,1,H36,H,,,1.278,,,,ITP,,,36267,bmst000273,1
23,,1,1,1,,1,H37,H,,,0.892,,,,ITP,,,36267,bmst000273,1
24,,1,1,1,,1,H38,H,,,9.798,,,,ITP,,,36267,bmst000273,1
25,,1,1,1,,1,H39,H,,,5.490,,,,ITP,,,36267,bmst000273,1
26,,1,1,1,,1,H40,H,,,5.072,,,,ITP,,,36267,bmst000273,1
27,,1,1,1,,1,H41,H,,,7.357,,,,ITP,,,36267,bmst000273,1
28,,1,1,1,,1,H42,H,,,5.428,,,,ITP,,,36267,bmst000273,1
29,,1,1,1,,1,H43,H,,,4.469,,,,ITP,,,36267,bmst000273,1
30,,1,1,1,,1,H44,H,,,4.934,,,,ITP,,,36267,bmst000273,1
31,,1,1,1,,1,H45,H,,,9.450,,,,ITP,,,36267,bmst000273,1
32,,1,1,1,,1,H46,H,,,8.290,,,,ITP,,,36267,bmst000273,1
1,,1,1,1,,1,C3,C,,,152.037,,,,Hydroquinone,,,36277,bmst000274,1
2,,1,1,1,,1,C4,C,,,152.066,,,,Hydroquinone,,,36277,bmst000274,1
3,,1,1,1,,1,C5,C,,,113.514,,,,Hydroquinone,,,36277,bmst000274,1
4,,1,1,1,,1,C6,C,,,113.546,,,,Hydroquinone,,,36277,bmst000274,1
5,,1,1,1,,1,C7,C,,,118.081,,,,Hydroquinone,,,36277,bmst000274,1
6,,1,1,1,,1,C8,C,,,118.098,,,,Hydroquinone,,,36277,bmst000274,1
7,,1,1,1,,1,H9,H,,,4.032,,,,Hydroquinone,,,36277,bmst000274,1
8,,1,1,1,,1,H10,H,,,4.036,,,,Hydroquinone,,,36277,bmst000274,1
9,,1,1,1,,1,H11,H,,,7.245,,,,Hydroquinone,,,36277,bmst000274,1
10,,1,1,1,,1,H12,H,,,7.247,,,,Hydroquinone,,,36277,bmst000274,1
11,,1,1,1,,1,H13,H,,,8.087,,,,Hydroquinone,,,36277,bmst000274,1
12,,1,1,1,,1,H14,H,,,8.084,,,,Hydroquinone,,,36277,bmst000274,1
1,,1,1,1,,1,C2,C,,,50.467,,,,Methanol,,,36287,bmst000275,1
2,,1,1,1,,1,H3,H,,,-0.788,,,,Methanol,,,36287,bmst000275,1
3,,1,1,1,,1,H4,H,,,4.755,,,,Methanol,,,36287,bmst000275,1
4,,1,1,1,,1,H5,H,,,4.523,,,,Methanol,,,36287,bmst000275,1
5,,1,1,1,,1,H6,H,,,4.523,,,,Methanol,,,36287,bmst000275,1
1,,1,1,1,,1,C1,C,,,72.109,,,,N_acetylneuraminic_acid,,,36297,bmst000276,1
2,,1,1,1,,1,C2,C,,,47.692,,,,N_acetylneuraminic_acid,,,36297,bmst000276,1
3,,1,1,1,,1,C4,C,,,70.001,,,,N_acetylneuraminic_acid,,,36297,bmst000276,1
4,,1,1,1,,1,C5,C,,,68.819,,,,N_acetylneuraminic_acid,,,36297,bmst000276,1
5,,1,1,1,,1,N6,N,,,124.984,,,,N_acetylneuraminic_acid,,,36297,bmst000276,1
6,,1,1,1,,1,C7,C,,,97.139,,,,N_acetylneuraminic_acid,,,36297,bmst000276,1
7,,1,1,1,,1,C8,C,,,69.625,,,,N_acetylneuraminic_acid,,,36297,bmst000276,1
8,,1,1,1,,1,C10,C,,,38.829,,,,N_acetylneuraminic_acid,,,36297,bmst000276,1
9,,1,1,1,,1,C12,C,,,166.614,,,,N_acetylneuraminic_acid,,,36297,bmst000276,1
10,,1,1,1,,1,C13,C,,,178.223,,,,N_acetylneuraminic_acid,,,36297,bmst000276,1
11,,1,1,1,,1,C15,C,,,67.518,,,,N_acetylneuraminic_acid,,,36297,bmst000276,1
12,,1,1,1,,1,C17,C,,,21.443,,,,N_acetylneuraminic_acid,,,36297,bmst000276,1
13,,1,1,1,,1,H22,H,,,5.199,,,,N_acetylneuraminic_acid,,,36297,bmst000276,1
14,,1,1,1,,1,H23,H,,,5.663,,,,N_acetylneuraminic_acid,,,36297,bmst000276,1
15,,1,1,1,,1,H24,H,,,4.504,,,,N_acetylneuraminic_acid,,,36297,bmst000276,1
16,,1,1,1,,1,H25,H,,,4.928,,,,N_acetylneuraminic_acid,,,36297,bmst000276,1
17,,1,1,1,,1,H26,H,,,4.741,,,,N_acetylneuraminic_acid,,,36297,bmst000276,1
18,,1,1,1,,1,H27,H,,,4.734,,,,N_acetylneuraminic_acid,,,36297,bmst000276,1
19,,1,1,1,,1,H28,H,,,1.972,,,,N_acetylneuraminic_acid,,,36297,bmst000276,1
20,,1,1,1,,1,H29,H,,,2.578,,,,N_acetylneuraminic_acid,,,36297,bmst000276,1
21,,1,1,1,,1,H30,H,,,3.221,,,,N_acetylneuraminic_acid,,,36297,bmst000276,1
22,,1,1,1,,1,H31,H,,,0.085,,,,N_acetylneuraminic_acid,,,36297,bmst000276,1
23,,1,1,1,,1,H32,H,,,4.084,,,,N_acetylneuraminic_acid,,,36297,bmst000276,1
24,,1,1,1,,1,H33,H,,,4.423,,,,N_acetylneuraminic_acid,,,36297,bmst000276,1
25,,1,1,1,,1,H34,H,,,5.185,,,,N_acetylneuraminic_acid,,,36297,bmst000276,1
26,,1,1,1,,1,H35,H,,,2.720,,,,N_acetylneuraminic_acid,,,36297,bmst000276,1
27,,1,1,1,,1,H36,H,,,3.056,,,,N_acetylneuraminic_acid,,,36297,bmst000276,1
28,,1,1,1,,1,H37,H,,,3.417,,,,N_acetylneuraminic_acid,,,36297,bmst000276,1
29,,1,1,1,,1,H38,H,,,2.539,,,,N_acetylneuraminic_acid,,,36297,bmst000276,1
30,,1,1,1,,1,H39,H,,,6.788,,,,N_acetylneuraminic_acid,,,36297,bmst000276,1
31,,1,1,1,,1,H40,H,,,0.299,,,,N_acetylneuraminic_acid,,,36297,bmst000276,1
1,,1,1,1,,1,N2,N,,,101.620,,,,Nicotinamide,,,36307,bmst000277,1
2,,1,1,1,,1,N3,N,,,350.621,,,,Nicotinamide,,,36307,bmst000277,1
3,,1,1,1,,1,C4,C,,,166.222,,,,Nicotinamide,,,36307,bmst000277,1
4,,1,1,1,,1,C5,C,,,129.599,,,,Nicotinamide,,,36307,bmst000277,1
5,,1,1,1,,1,C6,C,,,148.708,,,,Nicotinamide,,,36307,bmst000277,1
6,,1,1,1,,1,C7,C,,,154.628,,,,Nicotinamide,,,36307,bmst000277,1
7,,1,1,1,,1,C8,C,,,136.658,,,,Nicotinamide,,,36307,bmst000277,1
8,,1,1,1,,1,C9,C,,,124.445,,,,Nicotinamide,,,36307,bmst000277,1
9,,1,1,1,,1,H10,H,,,5.242,,,,Nicotinamide,,,36307,bmst000277,1
10,,1,1,1,,1,H11,H,,,6.329,,,,Nicotinamide,,,36307,bmst000277,1
11,,1,1,1,,1,H12,H,,,10.395,,,,Nicotinamide,,,36307,bmst000277,1
12,,1,1,1,,1,H13,H,,,10.314,,,,Nicotinamide,,,36307,bmst000277,1
13,,1,1,1,,1,H14,H,,,9.760,,,,Nicotinamide,,,36307,bmst000277,1
14,,1,1,1,,1,H15,H,,,8.798,,,,Nicotinamide,,,36307,bmst000277,1
1,,1,1,1,,1,N5,N,,,165.177,,,,Orotate,,,36317,bmst000278,1
2,,1,1,1,,1,N6,N,,,127.760,,,,Orotate,,,36317,bmst000278,1
3,,1,1,1,,1,C7,C,,,163.276,,,,Orotate,,,36317,bmst000278,1
4,,1,1,1,,1,C8,C,,,146.162,,,,Orotate,,,36317,bmst000278,1
5,,1,1,1,,1,C9,C,,,160.229,,,,Orotate,,,36317,bmst000278,1
6,,1,1,1,,1,C10,C,,,142.448,,,,Orotate,,,36317,bmst000278,1
7,,1,1,1,,1,C11,C,,,109.367,,,,Orotate,,,36317,bmst000278,1
8,,1,1,1,,1,H12,H,,,7.233,,,,Orotate,,,36317,bmst000278,1
9,,1,1,1,,1,H13,H,,,7.354,,,,Orotate,,,36317,bmst000278,1
10,,1,1,1,,1,H14,H,,,6.132,,,,Orotate,,,36317,bmst000278,1
11,,1,1,1,,1,H15,H,,,7.542,,,,Orotate,,,36317,bmst000278,1
1,,1,1,1,,1,C8,C,,,53.462,,,,Oxalosuccinate,,,36327,bmst000279,1
2,,1,1,1,,1,C9,C,,,36.515,,,,Oxalosuccinate,,,36327,bmst000279,1
3,,1,1,1,,1,C10,C,,,169.419,,,,Oxalosuccinate,,,36327,bmst000279,1
4,,1,1,1,,1,C11,C,,,172.700,,,,Oxalosuccinate,,,36327,bmst000279,1
5,,1,1,1,,1,C12,C,,,161.869,,,,Oxalosuccinate,,,36327,bmst000279,1
6,,1,1,1,,1,C13,C,,,201.399,,,,Oxalosuccinate,,,36327,bmst000279,1
7,,1,1,1,,1,H14,H,,,6.605,,,,Oxalosuccinate,,,36327,bmst000279,1
8,,1,1,1,,1,H15,H,,,6.900,,,,Oxalosuccinate,,,36327,bmst000279,1
9,,1,1,1,,1,H16,H,,,10.726,,,,Oxalosuccinate,,,36327,bmst000279,1
10,,1,1,1,,1,H17,H,,,4.297,,,,Oxalosuccinate,,,36327,bmst000279,1
11,,1,1,1,,1,H18,H,,,3.360,,,,Oxalosuccinate,,,36327,bmst000279,1
12,,1,1,1,,1,H19,H,,,5.780,,,,Oxalosuccinate,,,36327,bmst000279,1
1,,1,1,1,,1,N6,N,,,115.405,,,,Pantothenate,,,36337,bmst000280,1
2,,1,1,1,,1,C7,C,,,39.760,,,,Pantothenate,,,36337,bmst000280,1
3,,1,1,1,,1,C8,C,,,75.926,,,,Pantothenate,,,36337,bmst000280,1
4,,1,1,1,,1,C9,C,,,69.313,,,,Pantothenate,,,36337,bmst000280,1
5,,1,1,1,,1,C10,C,,,36.797,,,,Pantothenate,,,36337,bmst000280,1
6,,1,1,1,,1,C11,C,,,32.163,,,,Pantothenate,,,36337,bmst000280,1
7,,1,1,1,,1,C12,C,,,18.342,,,,Pantothenate,,,36337,bmst000280,1
8,,1,1,1,,1,C13,C,,,14.887,,,,Pantothenate,,,36337,bmst000280,1
9,,1,1,1,,1,C14,C,,,171.110,,,,Pantothenate,,,36337,bmst000280,1
10,,1,1,1,,1,C15,C,,,176.377,,,,Pantothenate,,,36337,bmst000280,1
11,,1,1,1,,1,H16,H,,,3.690,,,,Pantothenate,,,36337,bmst000280,1
12,,1,1,1,,1,H17,H,,,0.233,,,,Pantothenate,,,36337,bmst000280,1
13,,1,1,1,,1,H18,H,,,6.485,,,,Pantothenate,,,36337,bmst000280,1
14,,1,1,1,,1,H19,H,,,5.462,,,,Pantothenate,,,36337,bmst000280,1
15,,1,1,1,,1,H20,H,,,4.212,,,,Pantothenate,,,36337,bmst000280,1
16,,1,1,1,,1,H21,H,,,4.335,,,,Pantothenate,,,36337,bmst000280,1
17,,1,1,1,,1,H22,H,,,5.149,,,,Pantothenate,,,36337,bmst000280,1
18,,1,1,1,,1,H23,H,,,4.290,,,,Pantothenate,,,36337,bmst000280,1
19,,1,1,1,,1,H24,H,,,4.740,,,,Pantothenate,,,36337,bmst000280,1
20,,1,1,1,,1,H25,H,,,3.050,,,,Pantothenate,,,36337,bmst000280,1
21,,1,1,1,,1,H26,H,,,4.265,,,,Pantothenate,,,36337,bmst000280,1
22,,1,1,1,,1,H27,H,,,2.210,,,,Pantothenate,,,36337,bmst000280,1
23,,1,1,1,,1,H28,H,,,1.408,,,,Pantothenate,,,36337,bmst000280,1
24,,1,1,1,,1,H29,H,,,3.233,,,,Pantothenate,,,36337,bmst000280,1
25,,1,1,1,,1,H30,H,,,1.511,,,,Pantothenate,,,36337,bmst000280,1
26,,1,1,1,,1,H31,H,,,2.692,,,,Pantothenate,,,36337,bmst000280,1
27,,1,1,1,,1,H32,H,,,1.007,,,,Pantothenate,,,36337,bmst000280,1
1,,1,1,1,,1,C2,C,,,158.875,,,,Phenol,,,36347,bmst000281,1
2,,1,1,1,,1,C3,C,,,116.248,,,,Phenol,,,36347,bmst000281,1
3,,1,1,1,,1,C4,C,,,113.863,,,,Phenol,,,36347,bmst000281,1
4,,1,1,1,,1,C5,C,,,130.904,,,,Phenol,,,36347,bmst000281,1
5,,1,1,1,,1,C6,C,,,129.901,,,,Phenol,,,36347,bmst000281,1
6,,1,1,1,,1,C7,C,,,120.054,,,,Phenol,,,36347,bmst000281,1
7,,1,1,1,,1,H8,H,,,4.421,,,,Phenol,,,36347,bmst000281,1
8,,1,1,1,,1,H9,H,,,8.127,,,,Phenol,,,36347,bmst000281,1
9,,1,1,1,,1,H10,H,,,7.449,,,,Phenol,,,36347,bmst000281,1
10,,1,1,1,,1,H11,H,,,8.524,,,,Phenol,,,36347,bmst000281,1
11,,1,1,1,,1,H12,H,,,8.398,,,,Phenol,,,36347,bmst000281,1
12,,1,1,1,,1,H13,H,,,8.114,,,,Phenol,,,36347,bmst000281,1
1,,1,1,1,,1,N4,N,,,352.225,,,,Pyridoxine,,,36357,bmst000282,1
2,,1,1,1,,1,C5,C,,,57.294,,,,Pyridoxine,,,36357,bmst000282,1
3,,1,1,1,,1,C6,C,,,62.986,,,,Pyridoxine,,,36357,bmst000282,1
4,,1,1,1,,1,C7,C,,,16.340,,,,Pyridoxine,,,36357,bmst000282,1
5,,1,1,1,,1,C8,C,,,140.634,,,,Pyridoxine,,,36357,bmst000282,1
6,,1,1,1,,1,C9,C,,,149.612,,,,Pyridoxine,,,36357,bmst000282,1
7,,1,1,1,,1,C10,C,,,127.015,,,,Pyridoxine,,,36357,bmst000282,1
8,,1,1,1,,1,C11,C,,,137.385,,,,Pyridoxine,,,36357,bmst000282,1
9,,1,1,1,,1,C12,C,,,141.940,,,,Pyridoxine,,,36357,bmst000282,1
10,,1,1,1,,1,H13,H,,,-0.208,,,,Pyridoxine,,,36357,bmst000282,1
11,,1,1,1,,1,H14,H,,,0.381,,,,Pyridoxine,,,36357,bmst000282,1
12,,1,1,1,,1,H15,H,,,4.796,,,,Pyridoxine,,,36357,bmst000282,1
13,,1,1,1,,1,H16,H,,,6.642,,,,Pyridoxine,,,36357,bmst000282,1
14,,1,1,1,,1,H17,H,,,5.591,,,,Pyridoxine,,,36357,bmst000282,1
15,,1,1,1,,1,H18,H,,,6.259,,,,Pyridoxine,,,36357,bmst000282,1
16,,1,1,1,,1,H19,H,,,6.370,,,,Pyridoxine,,,36357,bmst000282,1
17,,1,1,1,,1,H20,H,,,3.369,,,,Pyridoxine,,,36357,bmst000282,1
18,,1,1,1,,1,H21,H,,,3.374,,,,Pyridoxine,,,36357,bmst000282,1
19,,1,1,1,,1,H22,H,,,3.905,,,,Pyridoxine,,,36357,bmst000282,1
20,,1,1,1,,1,H23,H,,,10.387,,,,Pyridoxine,,,36357,bmst000282,1
1,,1,1,1,,1,C4,C,,,63.909,,,,R_Lactate,,,36367,bmst000283,1
2,,1,1,1,,1,C5,C,,,19.061,,,,R_Lactate,,,36367,bmst000283,1
3,,1,1,1,,1,C6,C,,,184.812,,,,R_Lactate,,,36367,bmst000283,1
4,,1,1,1,,1,H7,H,,,2.745,,,,R_Lactate,,,36367,bmst000283,1
5,,1,1,1,,1,H8,H,,,6.677,,,,R_Lactate,,,36367,bmst000283,1
6,,1,1,1,,1,H9,H,,,5.331,,,,R_Lactate,,,36367,bmst000283,1
7,,1,1,1,,1,H10,H,,,2.768,,,,R_Lactate,,,36367,bmst000283,1
8,,1,1,1,,1,H11,H,,,2.446,,,,R_Lactate,,,36367,bmst000283,1
9,,1,1,1,,1,H12,H,,,2.313,,,,R_Lactate,,,36367,bmst000283,1
1,,1,1,1,,1,N7,N,,,42.367,,,,S_Adenosyl_L_homocysteine,,,36377,bmst000284,1
2,,1,1,1,,1,N8,N,,,85.072,,,,S_Adenosyl_L_homocysteine,,,36377,bmst000284,1
3,,1,1,1,,1,N9,N,,,172.637,,,,S_Adenosyl_L_homocysteine,,,36377,bmst000284,1
4,,1,1,1,,1,N10,N,,,265.486,,,,S_Adenosyl_L_homocysteine,,,36377,bmst000284,1
5,,1,1,1,,1,N11,N,,,259.942,,,,S_Adenosyl_L_homocysteine,,,36377,bmst000284,1
6,,1,1,1,,1,N12,N,,,245.634,,,,S_Adenosyl_L_homocysteine,,,36377,bmst000284,1
7,,1,1,1,,1,C13,C,,,58.880,,,,S_Adenosyl_L_homocysteine,,,36377,bmst000284,1
8,,1,1,1,,1,C14,C,,,28.378,,,,S_Adenosyl_L_homocysteine,,,36377,bmst000284,1
9,,1,1,1,,1,C15,C,,,30.172,,,,S_Adenosyl_L_homocysteine,,,36377,bmst000284,1
10,,1,1,1,,1,C16,C,,,36.463,,,,S_Adenosyl_L_homocysteine,,,36377,bmst000284,1
11,,1,1,1,,1,C17,C,,,93.380,,,,S_Adenosyl_L_homocysteine,,,36377,bmst000284,1
12,,1,1,1,,1,C18,C,,,87.778,,,,S_Adenosyl_L_homocysteine,,,36377,bmst000284,1
13,,1,1,1,,1,C19,C,,,73.232,,,,S_Adenosyl_L_homocysteine,,,36377,bmst000284,1
14,,1,1,1,,1,C20,C,,,79.819,,,,S_Adenosyl_L_homocysteine,,,36377,bmst000284,1
15,,1,1,1,,1,C21,C,,,171.854,,,,S_Adenosyl_L_homocysteine,,,36377,bmst000284,1
16,,1,1,1,,1,C22,C,,,153.963,,,,S_Adenosyl_L_homocysteine,,,36377,bmst000284,1
17,,1,1,1,,1,C23,C,,,149.618,,,,S_Adenosyl_L_homocysteine,,,36377,bmst000284,1
18,,1,1,1,,1,C24,C,,,121.489,,,,S_Adenosyl_L_homocysteine,,,36377,bmst000284,1
19,,1,1,1,,1,C25,C,,,142.046,,,,S_Adenosyl_L_homocysteine,,,36377,bmst000284,1
20,,1,1,1,,1,C26,C,,,154.185,,,,S_Adenosyl_L_homocysteine,,,36377,bmst000284,1
21,,1,1,1,,1,H27,H,,,0.584,,,,S_Adenosyl_L_homocysteine,,,36377,bmst000284,1
22,,1,1,1,,1,H28,H,,,0.574,,,,S_Adenosyl_L_homocysteine,,,36377,bmst000284,1
23,,1,1,1,,1,H29,H,,,6.407,,,,S_Adenosyl_L_homocysteine,,,36377,bmst000284,1
24,,1,1,1,,1,H30,H,,,0.840,,,,S_Adenosyl_L_homocysteine,,,36377,bmst000284,1
25,,1,1,1,,1,H31,H,,,0.766,,,,S_Adenosyl_L_homocysteine,,,36377,bmst000284,1
26,,1,1,1,,1,H32,H,,,5.426,,,,S_Adenosyl_L_homocysteine,,,36377,bmst000284,1
27,,1,1,1,,1,H33,H,,,6.163,,,,S_Adenosyl_L_homocysteine,,,36377,bmst000284,1
28,,1,1,1,,1,H34,H,,,3.863,,,,S_Adenosyl_L_homocysteine,,,36377,bmst000284,1
29,,1,1,1,,1,H35,H,,,2.666,,,,S_Adenosyl_L_homocysteine,,,36377,bmst000284,1
30,,1,1,1,,1,H36,H,,,3.563,,,,S_Adenosyl_L_homocysteine,,,36377,bmst000284,1
31,,1,1,1,,1,H37,H,,,1.934,,,,S_Adenosyl_L_homocysteine,,,36377,bmst000284,1
32,,1,1,1,,1,H38,H,,,3.442,,,,S_Adenosyl_L_homocysteine,,,36377,bmst000284,1
33,,1,1,1,,1,H39,H,,,2.763,,,,S_Adenosyl_L_homocysteine,,,36377,bmst000284,1
34,,1,1,1,,1,H40,H,,,4.890,,,,S_Adenosyl_L_homocysteine,,,36377,bmst000284,1
35,,1,1,1,,1,H41,H,,,7.084,,,,S_Adenosyl_L_homocysteine,,,36377,bmst000284,1
36,,1,1,1,,1,H42,H,,,4.866,,,,S_Adenosyl_L_homocysteine,,,36377,bmst000284,1
37,,1,1,1,,1,H43,H,,,7.353,,,,S_Adenosyl_L_homocysteine,,,36377,bmst000284,1
38,,1,1,1,,1,H44,H,,,5.020,,,,S_Adenosyl_L_homocysteine,,,36377,bmst000284,1
39,,1,1,1,,1,H45,H,,,8.689,,,,S_Adenosyl_L_homocysteine,,,36377,bmst000284,1
40,,1,1,1,,1,H46,H,,,10.177,,,,S_Adenosyl_L_homocysteine,,,36377,bmst000284,1
1,,1,1,1,,1,C1,C,,,23.156,,,,S_adenosyl_L_methionine,,,36387,bmst000285,1
2,,1,1,1,,1,C2,C,,,153.479,,,,S_adenosyl_L_methionine,,,36387,bmst000285,1
3,,1,1,1,,1,C3,C,,,135.622,,,,S_adenosyl_L_methionine,,,36387,bmst000285,1
4,,1,1,1,,1,C4,C,,,26.334,,,,S_adenosyl_L_methionine,,,36387,bmst000285,1
5,,1,1,1,,1,C5,C,,,41.841,,,,S_adenosyl_L_methionine,,,36387,bmst000285,1
6,,1,1,1,,1,C6,C,,,52.555,,,,S_adenosyl_L_methionine,,,36387,bmst000285,1
7,,1,1,1,,1,C7,C,,,119.272,,,,S_adenosyl_L_methionine,,,36387,bmst000285,1
8,,1,1,1,,1,C8,C,,,153.850,,,,S_adenosyl_L_methionine,,,36387,bmst000285,1
9,,1,1,1,,1,C9,C,,,148.140,,,,S_adenosyl_L_methionine,,,36387,bmst000285,1
10,,1,1,1,,1,C10,C,,,80.100,,,,S_adenosyl_L_methionine,,,36387,bmst000285,1
11,,1,1,1,,1,C11,C,,,75.698,,,,S_adenosyl_L_methionine,,,36387,bmst000285,1
12,,1,1,1,,1,C12,C,,,76.922,,,,S_adenosyl_L_methionine,,,36387,bmst000285,1
13,,1,1,1,,1,C13,C,,,94.866,,,,S_adenosyl_L_methionine,,,36387,bmst000285,1
14,,1,1,1,,1,C14,C,,,54.462,,,,S_adenosyl_L_methionine,,,36387,bmst000285,1
15,,1,1,1,,1,C15,C,,,177.288,,,,S_adenosyl_L_methionine,,,36387,bmst000285,1
16,,1,1,1,,1,N16,N,,,91.986,,,,S_adenosyl_L_methionine,,,36387,bmst000285,1
17,,1,1,1,,1,N17,N,,,34.532,,,,S_adenosyl_L_methionine,,,36387,bmst000285,1
18,,1,1,1,,1,N18,N,,,260.883,,,,S_adenosyl_L_methionine,,,36387,bmst000285,1
19,,1,1,1,,1,N19,N,,,223.247,,,,S_adenosyl_L_methionine,,,36387,bmst000285,1
20,,1,1,1,,1,N20,N,,,271.402,,,,S_adenosyl_L_methionine,,,36387,bmst000285,1
21,,1,1,1,,1,N21,N,,,167.737,,,,S_adenosyl_L_methionine,,,36387,bmst000285,1
22,,1,1,1,,1,H28,H,,,3.816,,,,S_adenosyl_L_methionine,,,36387,bmst000285,1
23,,1,1,1,,1,H29,H,,,3.546,,,,S_adenosyl_L_methionine,,,36387,bmst000285,1
24,,1,1,1,,1,H30,H,,,4.205,,,,S_adenosyl_L_methionine,,,36387,bmst000285,1
25,,1,1,1,,1,H31,H,,,10.063,,,,S_adenosyl_L_methionine,,,36387,bmst000285,1
26,,1,1,1,,1,H32,H,,,8.636,,,,S_adenosyl_L_methionine,,,36387,bmst000285,1
27,,1,1,1,,1,H33,H,,,2.647,,,,S_adenosyl_L_methionine,,,36387,bmst000285,1
28,,1,1,1,,1,H34,H,,,3.885,,,,S_adenosyl_L_methionine,,,36387,bmst000285,1
29,,1,1,1,,1,H35,H,,,3.915,,,,S_adenosyl_L_methionine,,,36387,bmst000285,1
30,,1,1,1,,1,H36,H,,,6.230,,,,S_adenosyl_L_methionine,,,36387,bmst000285,1
31,,1,1,1,,1,H37,H,,,4.257,,,,S_adenosyl_L_methionine,,,36387,bmst000285,1
32,,1,1,1,,1,H38,H,,,4.535,,,,S_adenosyl_L_methionine,,,36387,bmst000285,1
33,,1,1,1,,1,H39,H,,,5.807,,,,S_adenosyl_L_methionine,,,36387,bmst000285,1
34,,1,1,1,,1,H40,H,,,5.278,,,,S_adenosyl_L_methionine,,,36387,bmst000285,1
35,,1,1,1,,1,H41,H,,,5.321,,,,S_adenosyl_L_methionine,,,36387,bmst000285,1
36,,1,1,1,,1,H42,H,,,6.925,,,,S_adenosyl_L_methionine,,,36387,bmst000285,1
37,,1,1,1,,1,H43,H,,,4.583,,,,S_adenosyl_L_methionine,,,36387,bmst000285,1
38,,1,1,1,,1,H44,H,,,6.157,,,,S_adenosyl_L_methionine,,,36387,bmst000285,1
39,,1,1,1,,1,H45,H,,,6.716,,,,S_adenosyl_L_methionine,,,36387,bmst000285,1
40,,1,1,1,,1,H46,H,,,2.553,,,,S_adenosyl_L_methionine,,,36387,bmst000285,1
41,,1,1,1,,1,H47,H,,,1.529,,,,S_adenosyl_L_methionine,,,36387,bmst000285,1
42,,1,1,1,,1,H48,H,,,4.115,,,,S_adenosyl_L_methionine,,,36387,bmst000285,1
43,,1,1,1,,1,H49,H,,,9.287,,,,S_adenosyl_L_methionine,,,36387,bmst000285,1
44,,1,1,1,,1,H50,H,,,7.353,,,,S_adenosyl_L_methionine,,,36387,bmst000285,1
1,,1,1,1,,1,C4,C,,,165.190,,,,Salicylate,,,36397,bmst000286,1
2,,1,1,1,,1,C5,C,,,159.273,,,,Salicylate,,,36397,bmst000286,1
3,,1,1,1,,1,C6,C,,,123.470,,,,Salicylate,,,36397,bmst000286,1
4,,1,1,1,,1,C7,C,,,116.639,,,,Salicylate,,,36397,bmst000286,1
5,,1,1,1,,1,C8,C,,,129.209,,,,Salicylate,,,36397,bmst000286,1
6,,1,1,1,,1,C9,C,,,133.352,,,,Salicylate,,,36397,bmst000286,1
7,,1,1,1,,1,C10,C,,,119.709,,,,Salicylate,,,36397,bmst000286,1
8,,1,1,1,,1,H11,H,,,7.071,,,,Salicylate,,,36397,bmst000286,1
9,,1,1,1,,1,H12,H,,,5.137,,,,Salicylate,,,36397,bmst000286,1
10,,1,1,1,,1,H13,H,,,7.543,,,,Salicylate,,,36397,bmst000286,1
11,,1,1,1,,1,H14,H,,,8.513,,,,Salicylate,,,36397,bmst000286,1
12,,1,1,1,,1,H15,H,,,8.486,,,,Salicylate,,,36397,bmst000286,1
13,,1,1,1,,1,H16,H,,,8.133,,,,Salicylate,,,36397,bmst000286,1
1,,1,1,1,,1,N4,N,,,35.261,,,,Selenomethionine,,,36407,bmst000287,1
2,,1,1,1,,1,C5,C,,,56.373,,,,Selenomethionine,,,36407,bmst000287,1
3,,1,1,1,,1,C6,C,,,29.185,,,,Selenomethionine,,,36407,bmst000287,1
4,,1,1,1,,1,C7,C,,,30.234,,,,Selenomethionine,,,36407,bmst000287,1
5,,1,1,1,,1,C8,C,,,11.650,,,,Selenomethionine,,,36407,bmst000287,1
6,,1,1,1,,1,C9,C,,,177.994,,,,Selenomethionine,,,36407,bmst000287,1
7,,1,1,1,,1,H10,H,,,6.378,,,,Selenomethionine,,,36407,bmst000287,1
8,,1,1,1,,1,H11,H,,,1.318,,,,Selenomethionine,,,36407,bmst000287,1
9,,1,1,1,,1,H12,H,,,1.626,,,,Selenomethionine,,,36407,bmst000287,1
10,,1,1,1,,1,H13,H,,,3.612,,,,Selenomethionine,,,36407,bmst000287,1
11,,1,1,1,,1,H14,H,,,3.281,,,,Selenomethionine,,,36407,bmst000287,1
12,,1,1,1,,1,H15,H,,,4.428,,,,Selenomethionine,,,36407,bmst000287,1
13,,1,1,1,,1,H16,H,,,2.341,,,,Selenomethionine,,,36407,bmst000287,1
14,,1,1,1,,1,H17,H,,,2.679,,,,Selenomethionine,,,36407,bmst000287,1
15,,1,1,1,,1,H18,H,,,3.086,,,,Selenomethionine,,,36407,bmst000287,1
16,,1,1,1,,1,H19,H,,,3.000,,,,Selenomethionine,,,36407,bmst000287,1
17,,1,1,1,,1,H20,H,,,2.504,,,,Selenomethionine,,,36407,bmst000287,1
1,,1,1,1,,1,N3,N,,,83.754,,,,Thiamin,,,36417,bmst000288,1
2,,1,1,1,,1,N4,N,,,231.322,,,,Thiamin,,,36417,bmst000288,1
3,,1,1,1,,1,N5,N,,,281.244,,,,Thiamin,,,36417,bmst000288,1
4,,1,1,1,,1,N6,N,,,307.030,,,,Thiamin,,,36417,bmst000288,1
5,,1,1,1,,1,C7,C,,,64.307,,,,Thiamin,,,36417,bmst000288,1
6,,1,1,1,,1,C8,C,,,30.096,,,,Thiamin,,,36417,bmst000288,1
7,,1,1,1,,1,C9,C,,,54.599,,,,Thiamin,,,36417,bmst000288,1
8,,1,1,1,,1,C10,C,,,25.402,,,,Thiamin,,,36417,bmst000288,1
9,,1,1,1,,1,C11,C,,,10.309,,,,Thiamin,,,36417,bmst000288,1
10,,1,1,1,,1,C12,C,,,176.830,,,,Thiamin,,,36417,bmst000288,1
11,,1,1,1,,1,C13,C,,,159.556,,,,Thiamin,,,36417,bmst000288,1
12,,1,1,1,,1,C14,C,,,146.534,,,,Thiamin,,,36417,bmst000288,1
13,,1,1,1,,1,C15,C,,,146.688,,,,Thiamin,,,36417,bmst000288,1
14,,1,1,1,,1,C16,C,,,102.446,,,,Thiamin,,,36417,bmst000288,1
15,,1,1,1,,1,C17,C,,,155.063,,,,Thiamin,,,36417,bmst000288,1
16,,1,1,1,,1,C18,C,,,157.063,,,,Thiamin,,,36417,bmst000288,1
17,,1,1,1,,1,H19,H,,,1.162,,,,Thiamin,,,36417,bmst000288,1
18,,1,1,1,,1,H20,H,,,5.601,,,,Thiamin,,,36417,bmst000288,1
19,,1,1,1,,1,H21,H,,,4.741,,,,Thiamin,,,36417,bmst000288,1
20,,1,1,1,,1,H22,H,,,4.925,,,,Thiamin,,,36417,bmst000288,1
21,,1,1,1,,1,H23,H,,,4.894,,,,Thiamin,,,36417,bmst000288,1
22,,1,1,1,,1,H24,H,,,4.363,,,,Thiamin,,,36417,bmst000288,1
23,,1,1,1,,1,H25,H,,,4.487,,,,Thiamin,,,36417,bmst000288,1
24,,1,1,1,,1,H26,H,,,6.320,,,,Thiamin,,,36417,bmst000288,1
25,,1,1,1,,1,H27,H,,,6.371,,,,Thiamin,,,36417,bmst000288,1
26,,1,1,1,,1,H28,H,,,4.202,,,,Thiamin,,,36417,bmst000288,1
27,,1,1,1,,1,H29,H,,,4.440,,,,Thiamin,,,36417,bmst000288,1
28,,1,1,1,,1,H30,H,,,3.797,,,,Thiamin,,,36417,bmst000288,1
29,,1,1,1,,1,H31,H,,,3.206,,,,Thiamin,,,36417,bmst000288,1
30,,1,1,1,,1,H32,H,,,3.964,,,,Thiamin,,,36417,bmst000288,1
31,,1,1,1,,1,H33,H,,,4.003,,,,Thiamin,,,36417,bmst000288,1
32,,1,1,1,,1,H34,H,,,10.250,,,,Thiamin,,,36417,bmst000288,1
33,,1,1,1,,1,H35,H,,,9.248,,,,Thiamin,,,36417,bmst000288,1
1,,1,1,1,,1,P1,P,,,8.441,,,,UDP,,,36427,bmst000289,1
2,,1,1,1,,1,P2,P,,,7.905,,,,UDP,,,36427,bmst000289,1
3,,1,1,1,,1,N15,N,,,157.604,,,,UDP,,,36427,bmst000289,1
4,,1,1,1,,1,N16,N,,,166.204,,,,UDP,,,36427,bmst000289,1
5,,1,1,1,,1,C17,C,,,70.717,,,,UDP,,,36427,bmst000289,1
6,,1,1,1,,1,C18,C,,,105.432,,,,UDP,,,36427,bmst000289,1
7,,1,1,1,,1,C19,C,,,85.643,,,,UDP,,,36427,bmst000289,1
8,,1,1,1,,1,C20,C,,,74.093,,,,UDP,,,36427,bmst000289,1
9,,1,1,1,,1,C21,C,,,74.005,,,,UDP,,,36427,bmst000289,1
10,,1,1,1,,1,C22,C,,,150.311,,,,UDP,,,36427,bmst000289,1
11,,1,1,1,,1,C23,C,,,159.649,,,,UDP,,,36427,bmst000289,1
12,,1,1,1,,1,C24,C,,,144.913,,,,UDP,,,36427,bmst000289,1
13,,1,1,1,,1,C25,C,,,103.668,,,,UDP,,,36427,bmst000289,1
14,,1,1,1,,1,H26,H,,,7.261,,,,UDP,,,36427,bmst000289,1
15,,1,1,1,,1,H27,H,,,7.596,,,,UDP,,,36427,bmst000289,1
16,,1,1,1,,1,H28,H,,,4.502,,,,UDP,,,36427,bmst000289,1
17,,1,1,1,,1,H29,H,,,3.624,,,,UDP,,,36427,bmst000289,1
18,,1,1,1,,1,H30,H,,,0.962,,,,UDP,,,36427,bmst000289,1
19,,1,1,1,,1,H31,H,,,7.254,,,,UDP,,,36427,bmst000289,1
20,,1,1,1,,1,H32,H,,,5.701,,,,UDP,,,36427,bmst000289,1
21,,1,1,1,,1,H33,H,,,5.844,,,,UDP,,,36427,bmst000289,1
22,,1,1,1,,1,H34,H,,,6.095,,,,UDP,,,36427,bmst000289,1
23,,1,1,1,,1,H35,H,,,5.514,,,,UDP,,,36427,bmst000289,1
24,,1,1,1,,1,H36,H,,,4.881,,,,UDP,,,36427,bmst000289,1
25,,1,1,1,,1,H37,H,,,5.781,,,,UDP,,,36427,bmst000289,1
26,,1,1,1,,1,H38,H,,,8.364,,,,UDP,,,36427,bmst000289,1
27,,1,1,1,,1,H39,H,,,6.834,,,,UDP,,,36427,bmst000289,1
1,,1,1,1,,1,P1,P,,,-11.496,,,,UDPglucuronate,,,36437,bmst000290,1
2,,1,1,1,,1,P2,P,,,-10.473,,,,UDPglucuronate,,,36437,bmst000290,1
3,,1,1,1,,1,N21,N,,,156.753,,,,UDPglucuronate,,,36437,bmst000290,1
4,,1,1,1,,1,N22,N,,,166.140,,,,UDPglucuronate,,,36437,bmst000290,1
5,,1,1,1,,1,C23,C,,,70.109,,,,UDPglucuronate,,,36437,bmst000290,1
6,,1,1,1,,1,C24,C,,,97.961,,,,UDPglucuronate,,,36437,bmst000290,1
7,,1,1,1,,1,C25,C,,,104.817,,,,UDPglucuronate,,,36437,bmst000290,1
8,,1,1,1,,1,C26,C,,,84.520,,,,UDPglucuronate,,,36437,bmst000290,1
9,,1,1,1,,1,C27,C,,,65.968,,,,UDPglucuronate,,,36437,bmst000290,1
10,,1,1,1,,1,C28,C,,,73.593,,,,UDPglucuronate,,,36437,bmst000290,1
11,,1,1,1,,1,C29,C,,,73.769,,,,UDPglucuronate,,,36437,bmst000290,1
12,,1,1,1,,1,C30,C,,,67.720,,,,UDPglucuronate,,,36437,bmst000290,1
13,,1,1,1,,1,C31,C,,,69.746,,,,UDPglucuronate,,,36437,bmst000290,1
14,,1,1,1,,1,C32,C,,,81.209,,,,UDPglucuronate,,,36437,bmst000290,1
15,,1,1,1,,1,C33,C,,,167.237,,,,UDPglucuronate,,,36437,bmst000290,1
16,,1,1,1,,1,C34,C,,,150.167,,,,UDPglucuronate,,,36437,bmst000290,1
17,,1,1,1,,1,C35,C,,,159.604,,,,UDPglucuronate,,,36437,bmst000290,1
18,,1,1,1,,1,C36,C,,,144.950,,,,UDPglucuronate,,,36437,bmst000290,1
19,,1,1,1,,1,C37,C,,,103.609,,,,UDPglucuronate,,,36437,bmst000290,1
20,,1,1,1,,1,H38,H,,,7.506,,,,UDPglucuronate,,,36437,bmst000290,1
21,,1,1,1,,1,H39,H,,,9.276,,,,UDPglucuronate,,,36437,bmst000290,1
22,,1,1,1,,1,H40,H,,,5.309,,,,UDPglucuronate,,,36437,bmst000290,1
23,,1,1,1,,1,H41,H,,,3.515,,,,UDPglucuronate,,,36437,bmst000290,1
24,,1,1,1,,1,H42,H,,,0.962,,,,UDPglucuronate,,,36437,bmst000290,1
25,,1,1,1,,1,H43,H,,,2.354,,,,UDPglucuronate,,,36437,bmst000290,1
26,,1,1,1,,1,H44,H,,,0.922,,,,UDPglucuronate,,,36437,bmst000290,1
27,,1,1,1,,1,H45,H,,,9.630,,,,UDPglucuronate,,,36437,bmst000290,1
28,,1,1,1,,1,H46,H,,,7.233,,,,UDPglucuronate,,,36437,bmst000290,1
29,,1,1,1,,1,H47,H,,,5.544,,,,UDPglucuronate,,,36437,bmst000290,1
30,,1,1,1,,1,H48,H,,,5.598,,,,UDPglucuronate,,,36437,bmst000290,1
31,,1,1,1,,1,H49,H,,,6.786,,,,UDPglucuronate,,,36437,bmst000290,1
32,,1,1,1,,1,H50,H,,,6.050,,,,UDPglucuronate,,,36437,bmst000290,1
33,,1,1,1,,1,H51,H,,,5.491,,,,UDPglucuronate,,,36437,bmst000290,1
34,,1,1,1,,1,H52,H,,,5.607,,,,UDPglucuronate,,,36437,bmst000290,1
35,,1,1,1,,1,H53,H,,,4.924,,,,UDPglucuronate,,,36437,bmst000290,1
36,,1,1,1,,1,H54,H,,,5.822,,,,UDPglucuronate,,,36437,bmst000290,1
37,,1,1,1,,1,H55,H,,,5.291,,,,UDPglucuronate,,,36437,bmst000290,1
38,,1,1,1,,1,H56,H,,,5.680,,,,UDPglucuronate,,,36437,bmst000290,1
39,,1,1,1,,1,H57,H,,,5.170,,,,UDPglucuronate,,,36437,bmst000290,1
40,,1,1,1,,1,H58,H,,,8.349,,,,UDPglucuronate,,,36437,bmst000290,1
41,,1,1,1,,1,H59,H,,,6.825,,,,UDPglucuronate,,,36437,bmst000290,1
1,,1,1,1,,1,P1,P,,,0.461,,,,UMP,,,36447,bmst000291,1
2,,1,1,1,,1,N11,N,,,155.884,,,,UMP,,,36447,bmst000291,1
3,,1,1,1,,1,N12,N,,,165.866,,,,UMP,,,36447,bmst000291,1
4,,1,1,1,,1,C13,C,,,67.208,,,,UMP,,,36447,bmst000291,1
5,,1,1,1,,1,C14,C,,,102.583,,,,UMP,,,36447,bmst000291,1
6,,1,1,1,,1,C15,C,,,87.019,,,,UMP,,,36447,bmst000291,1
7,,1,1,1,,1,C16,C,,,76.216,,,,UMP,,,36447,bmst000291,1
8,,1,1,1,,1,C17,C,,,71.711,,,,UMP,,,36447,bmst000291,1
9,,1,1,1,,1,C18,C,,,149.475,,,,UMP,,,36447,bmst000291,1
10,,1,1,1,,1,C19,C,,,159.673,,,,UMP,,,36447,bmst000291,1
11,,1,1,1,,1,C20,C,,,144.535,,,,UMP,,,36447,bmst000291,1
12,,1,1,1,,1,C21,C,,,103.339,,,,UMP,,,36447,bmst000291,1
13,,1,1,1,,1,H22,H,,,3.751,,,,UMP,,,36447,bmst000291,1
14,,1,1,1,,1,H23,H,,,3.929,,,,UMP,,,36447,bmst000291,1
15,,1,1,1,,1,H24,H,,,1.017,,,,UMP,,,36447,bmst000291,1
16,,1,1,1,,1,H25,H,,,1.153,,,,UMP,,,36447,bmst000291,1
17,,1,1,1,,1,H26,H,,,7.241,,,,UMP,,,36447,bmst000291,1
18,,1,1,1,,1,H27,H,,,5.422,,,,UMP,,,36447,bmst000291,1
19,,1,1,1,,1,H28,H,,,5.429,,,,UMP,,,36447,bmst000291,1
20,,1,1,1,,1,H29,H,,,5.825,,,,UMP,,,36447,bmst000291,1
21,,1,1,1,,1,H30,H,,,4.901,,,,UMP,,,36447,bmst000291,1
22,,1,1,1,,1,H31,H,,,5.232,,,,UMP,,,36447,bmst000291,1
23,,1,1,1,,1,H32,H,,,5.485,,,,UMP,,,36447,bmst000291,1
24,,1,1,1,,1,H33,H,,,8.281,,,,UMP,,,36447,bmst000291,1
25,,1,1,1,,1,H34,H,,,6.773,,,,UMP,,,36447,bmst000291,1
1,,1,1,1,,1,P1,P,,,-2.629,,,,UTP,,,36457,bmst000292,1
2,,1,1,1,,1,P2,P,,,1.405,,,,UTP,,,36457,bmst000292,1
3,,1,1,1,,1,P3,P,,,6.080,,,,UTP,,,36457,bmst000292,1
4,,1,1,1,,1,N19,N,,,157.602,,,,UTP,,,36457,bmst000292,1
5,,1,1,1,,1,N20,N,,,166.107,,,,UTP,,,36457,bmst000292,1
6,,1,1,1,,1,C21,C,,,70.498,,,,UTP,,,36457,bmst000292,1
7,,1,1,1,,1,C22,C,,,105.066,,,,UTP,,,36457,bmst000292,1
8,,1,1,1,,1,C23,C,,,85.318,,,,UTP,,,36457,bmst000292,1
9,,1,1,1,,1,C24,C,,,73.810,,,,UTP,,,36457,bmst000292,1
10,,1,1,1,,1,C25,C,,,73.752,,,,UTP,,,36457,bmst000292,1
11,,1,1,1,,1,C26,C,,,150.135,,,,UTP,,,36457,bmst000292,1
12,,1,1,1,,1,C27,C,,,159.665,,,,UTP,,,36457,bmst000292,1
13,,1,1,1,,1,C28,C,,,145.010,,,,UTP,,,36457,bmst000292,1
14,,1,1,1,,1,C29,C,,,103.506,,,,UTP,,,36457,bmst000292,1
15,,1,1,1,,1,H30,H,,,7.747,,,,UTP,,,36457,bmst000292,1
16,,1,1,1,,1,H31,H,,,7.371,,,,UTP,,,36457,bmst000292,1
17,,1,1,1,,1,H32,H,,,4.736,,,,UTP,,,36457,bmst000292,1
18,,1,1,1,,1,H33,H,,,6.862,,,,UTP,,,36457,bmst000292,1
19,,1,1,1,,1,H34,H,,,3.589,,,,UTP,,,36457,bmst000292,1
20,,1,1,1,,1,H35,H,,,0.988,,,,UTP,,,36457,bmst000292,1
21,,1,1,1,,1,H36,H,,,7.235,,,,UTP,,,36457,bmst000292,1
22,,1,1,1,,1,H37,H,,,5.742,,,,UTP,,,36457,bmst000292,1
23,,1,1,1,,1,H38,H,,,5.752,,,,UTP,,,36457,bmst000292,1
24,,1,1,1,,1,H39,H,,,6.063,,,,UTP,,,36457,bmst000292,1
25,,1,1,1,,1,H40,H,,,5.432,,,,UTP,,,36457,bmst000292,1
26,,1,1,1,,1,H41,H,,,4.915,,,,UTP,,,36457,bmst000292,1
27,,1,1,1,,1,H42,H,,,5.781,,,,UTP,,,36457,bmst000292,1
28,,1,1,1,,1,H43,H,,,8.367,,,,UTP,,,36457,bmst000292,1
29,,1,1,1,,1,H44,H,,,6.825,,,,UTP,,,36457,bmst000292,1
1,,1,1,1,,1,N3,N,,,168.834,,,,Urocanate,,,36467,bmst000293,1
2,,1,1,1,,1,N4,N,,,298.552,,,,Urocanate,,,36467,bmst000293,1
3,,1,1,1,,1,C5,C,,,166.840,,,,Urocanate,,,36467,bmst000293,1
4,,1,1,1,,1,C6,C,,,116.219,,,,Urocanate,,,36467,bmst000293,1
5,,1,1,1,,1,C7,C,,,134.174,,,,Urocanate,,,36467,bmst000293,1
6,,1,1,1,,1,C8,C,,,128.790,,,,Urocanate,,,36467,bmst000293,1
7,,1,1,1,,1,C9,C,,,136.730,,,,Urocanate,,,36467,bmst000293,1
8,,1,1,1,,1,C10,C,,,132.595,,,,Urocanate,,,36467,bmst000293,1
9,,1,1,1,,1,H11,H,,,6.336,,,,Urocanate,,,36467,bmst000293,1
10,,1,1,1,,1,H12,H,,,8.996,,,,Urocanate,,,36467,bmst000293,1
11,,1,1,1,,1,H13,H,,,7.189,,,,Urocanate,,,36467,bmst000293,1
12,,1,1,1,,1,H14,H,,,8.927,,,,Urocanate,,,36467,bmst000293,1
13,,1,1,1,,1,H15,H,,,8.715,,,,Urocanate,,,36467,bmst000293,1
14,,1,1,1,,1,H16,H,,,9.155,,,,Urocanate,,,36467,bmst000293,1
1,,1,1,1,,1,N1,N,,,38.092,,,,agmatine,,,36477,bmst000294,1
2,,1,1,1,,1,C2,C,,,43.940,,,,agmatine,,,36477,bmst000294,1
3,,1,1,1,,1,C3,C,,,28.468,,,,agmatine,,,36477,bmst000294,1
4,,1,1,1,,1,C4,C,,,28.647,,,,agmatine,,,36477,bmst000294,1
5,,1,1,1,,1,C5,C,,,46.797,,,,agmatine,,,36477,bmst000294,1
6,,1,1,1,,1,N6,N,,,204.081,,,,agmatine,,,36477,bmst000294,1
7,,1,1,1,,1,C7,C,,,146.847,,,,agmatine,,,36477,bmst000294,1
8,,1,1,1,,1,N8,N,,,74.243,,,,agmatine,,,36477,bmst000294,1
9,,1,1,1,,1,N9,N,,,68.636,,,,agmatine,,,36477,bmst000294,1
10,,1,1,1,,1,H10,H,,,0.836,,,,agmatine,,,36477,bmst000294,1
11,,1,1,1,,1,H11,H,,,0.281,,,,agmatine,,,36477,bmst000294,1
12,,1,1,1,,1,H12,H,,,3.620,,,,agmatine,,,36477,bmst000294,1
13,,1,1,1,,1,H13,H,,,3.697,,,,agmatine,,,36477,bmst000294,1
14,,1,1,1,,1,H14,H,,,2.615,,,,agmatine,,,36477,bmst000294,1
15,,1,1,1,,1,H15,H,,,2.082,,,,agmatine,,,36477,bmst000294,1
16,,1,1,1,,1,H16,H,,,2.816,,,,agmatine,,,36477,bmst000294,1
17,,1,1,1,,1,H17,H,,,2.499,,,,agmatine,,,36477,bmst000294,1
18,,1,1,1,,1,H18,H,,,3.932,,,,agmatine,,,36477,bmst000294,1
19,,1,1,1,,1,H19,H,,,3.749,,,,agmatine,,,36477,bmst000294,1
20,,1,1,1,,1,H20,H,,,3.313,,,,agmatine,,,36477,bmst000294,1
21,,1,1,1,,1,H21,H,,,3.143,,,,agmatine,,,36477,bmst000294,1
22,,1,1,1,,1,H22,H,,,3.446,,,,agmatine,,,36477,bmst000294,1
23,,1,1,1,,1,H23,H,,,3.867,,,,agmatine,,,36477,bmst000294,1
1,,1,1,1,,1,C1,C,,,97.274,,,,alpha_D_galactose_1_phosphate,,,36487,bmst000295,1
2,,1,1,1,,1,C2,C,,,73.005,,,,alpha_D_galactose_1_phosphate,,,36487,bmst000295,1
3,,1,1,1,,1,C3,C,,,73.462,,,,alpha_D_galactose_1_phosphate,,,36487,bmst000295,1
4,,1,1,1,,1,C4,C,,,65.031,,,,alpha_D_galactose_1_phosphate,,,36487,bmst000295,1
5,,1,1,1,,1,C5,C,,,81.578,,,,alpha_D_galactose_1_phosphate,,,36487,bmst000295,1
6,,1,1,1,,1,C6,C,,,58.008,,,,alpha_D_galactose_1_phosphate,,,36487,bmst000295,1
7,,1,1,1,,1,P13,P,,,2.182,,,,alpha_D_galactose_1_phosphate,,,36487,bmst000295,1
8,,1,1,1,,1,H17,H,,,6.662,,,,alpha_D_galactose_1_phosphate,,,36487,bmst000295,1
9,,1,1,1,,1,H18,H,,,4.311,,,,alpha_D_galactose_1_phosphate,,,36487,bmst000295,1
10,,1,1,1,,1,H19,H,,,5.180,,,,alpha_D_galactose_1_phosphate,,,36487,bmst000295,1
11,,1,1,1,,1,H20,H,,,5.244,,,,alpha_D_galactose_1_phosphate,,,36487,bmst000295,1
12,,1,1,1,,1,H21,H,,,5.407,,,,alpha_D_galactose_1_phosphate,,,36487,bmst000295,1
13,,1,1,1,,1,H22,H,,,5.018,,,,alpha_D_galactose_1_phosphate,,,36487,bmst000295,1
14,,1,1,1,,1,H23,H,,,5.584,,,,alpha_D_galactose_1_phosphate,,,36487,bmst000295,1
15,,1,1,1,,1,H24,H,,,2.610,,,,alpha_D_galactose_1_phosphate,,,36487,bmst000295,1
16,,1,1,1,,1,H25,H,,,0.368,,,,alpha_D_galactose_1_phosphate,,,36487,bmst000295,1
17,,1,1,1,,1,H26,H,,,0.412,,,,alpha_D_galactose_1_phosphate,,,36487,bmst000295,1
18,,1,1,1,,1,H27,H,,,-0.120,,,,alpha_D_galactose_1_phosphate,,,36487,bmst000295,1
19,,1,1,1,,1,H28,H,,,3.509,,,,alpha_D_galactose_1_phosphate,,,36487,bmst000295,1
20,,1,1,1,,1,H29,H,,,3.973,,,,alpha_D_galactose_1_phosphate,,,36487,bmst000295,1
1,,1,1,1,,1,C1,C,,,92.994,,,,alpha_D_glucose_1_6_bisphosphate,,,36497,bmst000296,1
2,,1,1,1,,1,C2,C,,,70.447,,,,alpha_D_glucose_1_6_bisphosphate,,,36497,bmst000296,1
3,,1,1,1,,1,C3,C,,,71.021,,,,alpha_D_glucose_1_6_bisphosphate,,,36497,bmst000296,1
4,,1,1,1,,1,C4,C,,,68.992,,,,alpha_D_glucose_1_6_bisphosphate,,,36497,bmst000296,1
5,,1,1,1,,1,C5,C,,,84.756,,,,alpha_D_glucose_1_6_bisphosphate,,,36497,bmst000296,1
6,,1,1,1,,1,C6,C,,,63.291,,,,alpha_D_glucose_1_6_bisphosphate,,,36497,bmst000296,1
7,,1,1,1,,1,P13,P,,,5.764,,,,alpha_D_glucose_1_6_bisphosphate,,,36497,bmst000296,1
8,,1,1,1,,1,P17,P,,,11.226,,,,alpha_D_glucose_1_6_bisphosphate,,,36497,bmst000296,1
9,,1,1,1,,1,H21,H,,,6.247,,,,alpha_D_glucose_1_6_bisphosphate,,,36497,bmst000296,1
10,,1,1,1,,1,H22,H,,,4.288,,,,alpha_D_glucose_1_6_bisphosphate,,,36497,bmst000296,1
11,,1,1,1,,1,H23,H,,,5.011,,,,alpha_D_glucose_1_6_bisphosphate,,,36497,bmst000296,1
12,,1,1,1,,1,H24,H,,,4.626,,,,alpha_D_glucose_1_6_bisphosphate,,,36497,bmst000296,1
13,,1,1,1,,1,H25,H,,,4.986,,,,alpha_D_glucose_1_6_bisphosphate,,,36497,bmst000296,1
14,,1,1,1,,1,H26,H,,,4.843,,,,alpha_D_glucose_1_6_bisphosphate,,,36497,bmst000296,1
15,,1,1,1,,1,H27,H,,,6.134,,,,alpha_D_glucose_1_6_bisphosphate,,,36497,bmst000296,1
16,,1,1,1,,1,H28,H,,,3.580,,,,alpha_D_glucose_1_6_bisphosphate,,,36497,bmst000296,1
17,,1,1,1,,1,H29,H,,,0.458,,,,alpha_D_glucose_1_6_bisphosphate,,,36497,bmst000296,1
18,,1,1,1,,1,H30,H,,,0.671,,,,alpha_D_glucose_1_6_bisphosphate,,,36497,bmst000296,1
19,,1,1,1,,1,H31,H,,,11.616,,,,alpha_D_glucose_1_6_bisphosphate,,,36497,bmst000296,1
20,,1,1,1,,1,H32,H,,,3.881,,,,alpha_D_glucose_1_6_bisphosphate,,,36497,bmst000296,1
21,,1,1,1,,1,H33,H,,,3.916,,,,alpha_D_glucose_1_6_bisphosphate,,,36497,bmst000296,1
22,,1,1,1,,1,H34,H,,,10.831,,,,alpha_D_glucose_1_6_bisphosphate,,,36497,bmst000296,1
1,,1,1,1,,1,C1,C,,,95.998,,,,alpha_D_glucose_1_phosphate,,,36507,bmst000297,1
2,,1,1,1,,1,C2,C,,,70.647,,,,alpha_D_glucose_1_phosphate,,,36507,bmst000297,1
3,,1,1,1,,1,C3,C,,,72.691,,,,alpha_D_glucose_1_phosphate,,,36507,bmst000297,1
4,,1,1,1,,1,C4,C,,,68.464,,,,alpha_D_glucose_1_phosphate,,,36507,bmst000297,1
5,,1,1,1,,1,C5,C,,,86.687,,,,alpha_D_glucose_1_phosphate,,,36507,bmst000297,1
6,,1,1,1,,1,C6,C,,,55.476,,,,alpha_D_glucose_1_phosphate,,,36507,bmst000297,1
7,,1,1,1,,1,P13,P,,,3.164,,,,alpha_D_glucose_1_phosphate,,,36507,bmst000297,1
8,,1,1,1,,1,H17,H,,,6.564,,,,alpha_D_glucose_1_phosphate,,,36507,bmst000297,1
9,,1,1,1,,1,H18,H,,,4.347,,,,alpha_D_glucose_1_phosphate,,,36507,bmst000297,1
10,,1,1,1,,1,H19,H,,,4.975,,,,alpha_D_glucose_1_phosphate,,,36507,bmst000297,1
11,,1,1,1,,1,H20,H,,,4.491,,,,alpha_D_glucose_1_phosphate,,,36507,bmst000297,1
12,,1,1,1,,1,H21,H,,,4.791,,,,alpha_D_glucose_1_phosphate,,,36507,bmst000297,1
13,,1,1,1,,1,H22,H,,,4.199,,,,alpha_D_glucose_1_phosphate,,,36507,bmst000297,1
14,,1,1,1,,1,H23,H,,,5.494,,,,alpha_D_glucose_1_phosphate,,,36507,bmst000297,1
15,,1,1,1,,1,H24,H,,,3.581,,,,alpha_D_glucose_1_phosphate,,,36507,bmst000297,1
16,,1,1,1,,1,H25,H,,,0.414,,,,alpha_D_glucose_1_phosphate,,,36507,bmst000297,1
17,,1,1,1,,1,H26,H,,,0.471,,,,alpha_D_glucose_1_phosphate,,,36507,bmst000297,1
18,,1,1,1,,1,H27,H,,,2.818,,,,alpha_D_glucose_1_phosphate,,,36507,bmst000297,1
19,,1,1,1,,1,H28,H,,,3.683,,,,alpha_D_glucose_1_phosphate,,,36507,bmst000297,1
20,,1,1,1,,1,H29,H,,,4.311,,,,alpha_D_glucose_1_phosphate,,,36507,bmst000297,1
1,,1,1,1,,1,C1,C,,,160.491,,,,alpha_ketoglutaric_acid,,,36517,bmst000298,1
2,,1,1,1,,1,C2,C,,,201.739,,,,alpha_ketoglutaric_acid,,,36517,bmst000298,1
3,,1,1,1,,1,C3,C,,,175.655,,,,alpha_ketoglutaric_acid,,,36517,bmst000298,1
4,,1,1,1,,1,C7,C,,,39.270,,,,alpha_ketoglutaric_acid,,,36517,bmst000298,1
5,,1,1,1,,1,C8,C,,,27.226,,,,alpha_ketoglutaric_acid,,,36517,bmst000298,1
6,,1,1,1,,1,H11,H,,,4.468,,,,alpha_ketoglutaric_acid,,,36517,bmst000298,1
7,,1,1,1,,1,H12,H,,,4.599,,,,alpha_ketoglutaric_acid,,,36517,bmst000298,1
8,,1,1,1,,1,H13,H,,,3.958,,,,alpha_ketoglutaric_acid,,,36517,bmst000298,1
9,,1,1,1,,1,H14,H,,,3.212,,,,alpha_ketoglutaric_acid,,,36517,bmst000298,1
10,,1,1,1,,1,H15,H,,,7.071,,,,alpha_ketoglutaric_acid,,,36517,bmst000298,1
11,,1,1,1,,1,H16,H,,,6.407,,,,alpha_ketoglutaric_acid,,,36517,bmst000298,1
1,,1,1,1,,1,H1,H,,,7.091,,,,alpha_naphthoic_acid,,,36527,bmst000299,1
2,,1,1,1,,1,C2,C,,,126.771,,,,alpha_naphthoic_acid,,,36527,bmst000299,1
3,,1,1,1,,1,C3,C,,,129.313,,,,alpha_naphthoic_acid,,,36527,bmst000299,1
4,,1,1,1,,1,C4,C,,,125.460,,,,alpha_naphthoic_acid,,,36527,bmst000299,1
5,,1,1,1,,1,C5,C,,,130.163,,,,alpha_naphthoic_acid,,,36527,bmst000299,1
6,,1,1,1,,1,C6,C,,,129.401,,,,alpha_naphthoic_acid,,,36527,bmst000299,1
7,,1,1,1,,1,C7,C,,,136.879,,,,alpha_naphthoic_acid,,,36527,bmst000299,1
8,,1,1,1,,1,C8,C,,,136.304,,,,alpha_naphthoic_acid,,,36527,bmst000299,1
9,,1,1,1,,1,C9,C,,,132.241,,,,alpha_naphthoic_acid,,,36527,bmst000299,1
10,,1,1,1,,1,C10,C,,,130.694,,,,alpha_naphthoic_acid,,,36527,bmst000299,1
11,,1,1,1,,1,C11,C,,,126.506,,,,alpha_naphthoic_acid,,,36527,bmst000299,1
12,,1,1,1,,1,C12,C,,,172.957,,,,alpha_naphthoic_acid,,,36527,bmst000299,1
13,,1,1,1,,1,H15,H,,,8.745,,,,alpha_naphthoic_acid,,,36527,bmst000299,1
14,,1,1,1,,1,H16,H,,,8.850,,,,alpha_naphthoic_acid,,,36527,bmst000299,1
15,,1,1,1,,1,H17,H,,,8.835,,,,alpha_naphthoic_acid,,,36527,bmst000299,1
16,,1,1,1,,1,H18,H,,,9.025,,,,alpha_naphthoic_acid,,,36527,bmst000299,1
17,,1,1,1,,1,H19,H,,,10.609,,,,alpha_naphthoic_acid,,,36527,bmst000299,1
18,,1,1,1,,1,H20,H,,,9.156,,,,alpha_naphthoic_acid,,,36527,bmst000299,1
19,,1,1,1,,1,H21,H,,,10.263,,,,alpha_naphthoic_acid,,,36527,bmst000299,1
1,,1,1,1,,1,C1,C,,,131.825,,,,amygdalin,,,36537,bmst000300,1
2,,1,1,1,,1,C2,C,,,130.885,,,,amygdalin,,,36537,bmst000300,1
3,,1,1,1,,1,C3,C,,,129.499,,,,amygdalin,,,36537,bmst000300,1
4,,1,1,1,,1,C4,C,,,131.689,,,,amygdalin,,,36537,bmst000300,1
5,,1,1,1,,1,C5,C,,,132.788,,,,amygdalin,,,36537,bmst000300,1
6,,1,1,1,,1,C6,C,,,64.510,,,,amygdalin,,,36537,bmst000300,1
7,,1,1,1,,1,C7,C,,,68.918,,,,amygdalin,,,36537,bmst000300,1
8,,1,1,1,,1,C8,C,,,122.692,,,,amygdalin,,,36537,bmst000300,1
9,,1,1,1,,1,C9,C,,,130.485,,,,amygdalin,,,36537,bmst000300,1
10,,1,1,1,,1,C10,C,,,78.321,,,,amygdalin,,,36537,bmst000300,1
11,,1,1,1,,1,C11,C,,,76.927,,,,amygdalin,,,36537,bmst000300,1
12,,1,1,1,,1,C12,C,,,70.185,,,,amygdalin,,,36537,bmst000300,1
13,,1,1,1,,1,C13,C,,,70.553,,,,amygdalin,,,36537,bmst000300,1
14,,1,1,1,,1,C14,C,,,76.827,,,,amygdalin,,,36537,bmst000300,1
15,,1,1,1,,1,C15,C,,,76.373,,,,amygdalin,,,36537,bmst000300,1
16,,1,1,1,,1,C16,C,,,74.558,,,,amygdalin,,,36537,bmst000300,1
17,,1,1,1,,1,C17,C,,,73.976,,,,amygdalin,,,36537,bmst000300,1
18,,1,1,1,,1,C18,C,,,104.492,,,,amygdalin,,,36537,bmst000300,1
19,,1,1,1,,1,C19,C,,,98.476,,,,amygdalin,,,36537,bmst000300,1
20,,1,1,1,,1,C20,C,,,67.315,,,,amygdalin,,,36537,bmst000300,1
21,,1,1,1,,1,N21,N,,,300.586,,,,amygdalin,,,36537,bmst000300,1
22,,1,1,1,,1,H33,H,,,8.790,,,,amygdalin,,,36537,bmst000300,1
23,,1,1,1,,1,H34,H,,,8.835,,,,amygdalin,,,36537,bmst000300,1
24,,1,1,1,,1,H35,H,,,8.755,,,,amygdalin,,,36537,bmst000300,1
25,,1,1,1,,1,H36,H,,,9.283,,,,amygdalin,,,36537,bmst000300,1
26,,1,1,1,,1,H37,H,,,8.832,,,,amygdalin,,,36537,bmst000300,1
27,,1,1,1,,1,H38,H,,,4.921,,,,amygdalin,,,36537,bmst000300,1
28,,1,1,1,,1,H39,H,,,5.298,,,,amygdalin,,,36537,bmst000300,1
29,,1,1,1,,1,H40,H,,,4.589,,,,amygdalin,,,36537,bmst000300,1
30,,1,1,1,,1,H41,H,,,5.915,,,,amygdalin,,,36537,bmst000300,1
31,,1,1,1,,1,H42,H,,,4.526,,,,amygdalin,,,36537,bmst000300,1
32,,1,1,1,,1,H43,H,,,4.585,,,,amygdalin,,,36537,bmst000300,1
33,,1,1,1,,1,H44,H,,,4.326,,,,amygdalin,,,36537,bmst000300,1
34,,1,1,1,,1,H45,H,,,4.382,,,,amygdalin,,,36537,bmst000300,1
35,,1,1,1,,1,H46,H,,,4.420,,,,amygdalin,,,36537,bmst000300,1
36,,1,1,1,,1,H47,H,,,4.232,,,,amygdalin,,,36537,bmst000300,1
37,,1,1,1,,1,H48,H,,,4.305,,,,amygdalin,,,36537,bmst000300,1
38,,1,1,1,,1,H49,H,,,4.342,,,,amygdalin,,,36537,bmst000300,1
39,,1,1,1,,1,H50,H,,,5.056,,,,amygdalin,,,36537,bmst000300,1
40,,1,1,1,,1,H51,H,,,4.729,,,,amygdalin,,,36537,bmst000300,1
41,,1,1,1,,1,H52,H,,,6.723,,,,amygdalin,,,36537,bmst000300,1
42,,1,1,1,,1,H53,H,,,-0.090,,,,amygdalin,,,36537,bmst000300,1
43,,1,1,1,,1,H54,H,,,2.189,,,,amygdalin,,,36537,bmst000300,1
44,,1,1,1,,1,H55,H,,,2.125,,,,amygdalin,,,36537,bmst000300,1
45,,1,1,1,,1,H56,H,,,2.120,,,,amygdalin,,,36537,bmst000300,1
46,,1,1,1,,1,H57,H,,,2.137,,,,amygdalin,,,36537,bmst000300,1
47,,1,1,1,,1,H58,H,,,1.673,,,,amygdalin,,,36537,bmst000300,1
48,,1,1,1,,1,H59,H,,,1.504,,,,amygdalin,,,36537,bmst000300,1
1,,1,1,1,,1,C1,C,,,175.181,,,,beta_alanine,,,36547,bmst000301,1
2,,1,1,1,,1,C2,C,,,36.679,,,,beta_alanine,,,36547,bmst000301,1
3,,1,1,1,,1,N5,N,,,36.318,,,,beta_alanine,,,36547,bmst000301,1
4,,1,1,1,,1,C6,C,,,39.899,,,,beta_alanine,,,36547,bmst000301,1
5,,1,1,1,,1,H7,H,,,4.036,,,,beta_alanine,,,36547,bmst000301,1
6,,1,1,1,,1,H8,H,,,2.942,,,,beta_alanine,,,36547,bmst000301,1
7,,1,1,1,,1,H9,H,,,6.265,,,,beta_alanine,,,36547,bmst000301,1
8,,1,1,1,,1,H10,H,,,1.023,,,,beta_alanine,,,36547,bmst000301,1
9,,1,1,1,,1,H11,H,,,0.375,,,,beta_alanine,,,36547,bmst000301,1
10,,1,1,1,,1,H12,H,,,4.187,,,,beta_alanine,,,36547,bmst000301,1
11,,1,1,1,,1,H13,H,,,4.013,,,,beta_alanine,,,36547,bmst000301,1
1,,1,1,1,,1,C2,C,,,189.933,,,,betaine_aldehyde,,,36557,bmst000302,1
2,,1,1,1,,1,C3,C,,,70.283,,,,betaine_aldehyde,,,36557,bmst000302,1
3,,1,1,1,,1,N4,N,,,53.063,,,,betaine_aldehyde,,,36557,bmst000302,1
4,,1,1,1,,1,C5,C,,,57.866,,,,betaine_aldehyde,,,36557,bmst000302,1
5,,1,1,1,,1,C6,C,,,52.173,,,,betaine_aldehyde,,,36557,bmst000302,1
6,,1,1,1,,1,C7,C,,,52.173,,,,betaine_aldehyde,,,36557,bmst000302,1
7,,1,1,1,,1,H8,H,,,11.514,,,,betaine_aldehyde,,,36557,bmst000302,1
8,,1,1,1,,1,H9,H,,,5.037,,,,betaine_aldehyde,,,36557,bmst000302,1
9,,1,1,1,,1,H10,H,,,5.037,,,,betaine_aldehyde,,,36557,bmst000302,1
10,,1,1,1,,1,H11,H,,,4.502,,,,betaine_aldehyde,,,36557,bmst000302,1
11,,1,1,1,,1,H12,H,,,4.502,,,,betaine_aldehyde,,,36557,bmst000302,1
12,,1,1,1,,1,H13,H,,,4.499,,,,betaine_aldehyde,,,36557,bmst000302,1
13,,1,1,1,,1,H14,H,,,4.353,,,,betaine_aldehyde,,,36557,bmst000302,1
14,,1,1,1,,1,H15,H,,,4.501,,,,betaine_aldehyde,,,36557,bmst000302,1
15,,1,1,1,,1,H16,H,,,4.997,,,,betaine_aldehyde,,,36557,bmst000302,1
16,,1,1,1,,1,H17,H,,,4.501,,,,betaine_aldehyde,,,36557,bmst000302,1
17,,1,1,1,,1,H18,H,,,4.353,,,,betaine_aldehyde,,,36557,bmst000302,1
18,,1,1,1,,1,H19,H,,,4.997,,,,betaine_aldehyde,,,36557,bmst000302,1
1,,1,1,1,,1,C1,C,,,175.840,,,,biotin,,,36567,bmst000303,1
2,,1,1,1,,1,C4,C,,,33.972,,,,biotin,,,36567,bmst000303,1
3,,1,1,1,,1,C5,C,,,25.697,,,,biotin,,,36567,bmst000303,1
4,,1,1,1,,1,C6,C,,,28.004,,,,biotin,,,36567,bmst000303,1
5,,1,1,1,,1,C7,C,,,26.164,,,,biotin,,,36567,bmst000303,1
6,,1,1,1,,1,C8,C,,,57.151,,,,biotin,,,36567,bmst000303,1
7,,1,1,1,,1,C10,C,,,40.405,,,,biotin,,,36567,bmst000303,1
8,,1,1,1,,1,C11,C,,,59.757,,,,biotin,,,36567,bmst000303,1
9,,1,1,1,,1,N12,N,,,94.113,,,,biotin,,,36567,bmst000303,1
10,,1,1,1,,1,C13,C,,,155.826,,,,biotin,,,36567,bmst000303,1
11,,1,1,1,,1,N15,N,,,82.134,,,,biotin,,,36567,bmst000303,1
12,,1,1,1,,1,C16,C,,,60.035,,,,biotin,,,36567,bmst000303,1
13,,1,1,1,,1,H17,H,,,3.445,,,,biotin,,,36567,bmst000303,1
14,,1,1,1,,1,H18,H,,,2.950,,,,biotin,,,36567,bmst000303,1
15,,1,1,1,,1,H19,H,,,2.908,,,,biotin,,,36567,bmst000303,1
16,,1,1,1,,1,H20,H,,,2.604,,,,biotin,,,36567,bmst000303,1
17,,1,1,1,,1,H21,H,,,2.246,,,,biotin,,,36567,bmst000303,1
18,,1,1,1,,1,H22,H,,,2.214,,,,biotin,,,36567,bmst000303,1
19,,1,1,1,,1,H23,H,,,2.602,,,,biotin,,,36567,bmst000303,1
20,,1,1,1,,1,H24,H,,,2.899,,,,biotin,,,36567,bmst000303,1
21,,1,1,1,,1,H25,H,,,3.864,,,,biotin,,,36567,bmst000303,1
22,,1,1,1,,1,H26,H,,,3.822,,,,biotin,,,36567,bmst000303,1
23,,1,1,1,,1,H27,H,,,3.296,,,,biotin,,,36567,bmst000303,1
24,,1,1,1,,1,H28,H,,,5.041,,,,biotin,,,36567,bmst000303,1
25,,1,1,1,,1,H29,H,,,3.271,,,,biotin,,,36567,bmst000303,1
26,,1,1,1,,1,H30,H,,,3.360,,,,biotin,,,36567,bmst000303,1
27,,1,1,1,,1,H31,H,,,4.869,,,,biotin,,,36567,bmst000303,1
28,,1,1,1,,1,H32,H,,,6.322,,,,biotin,,,36567,bmst000303,1
1,,1,1,1,,1,C1,C,,,142.092,,,,citraconic_acid,,,36577,bmst000304,1
2,,1,1,1,,1,C2,C,,,135.392,,,,citraconic_acid,,,36577,bmst000304,1
3,,1,1,1,,1,C3,C,,,171.098,,,,citraconic_acid,,,36577,bmst000304,1
4,,1,1,1,,1,H6,H,,,7.271,,,,citraconic_acid,,,36577,bmst000304,1
5,,1,1,1,,1,C7,C,,,169.778,,,,citraconic_acid,,,36577,bmst000304,1
6,,1,1,1,,1,H10,H,,,6.992,,,,citraconic_acid,,,36577,bmst000304,1
7,,1,1,1,,1,C11,C,,,18.765,,,,citraconic_acid,,,36577,bmst000304,1
8,,1,1,1,,1,H12,H,,,7.730,,,,citraconic_acid,,,36577,bmst000304,1
9,,1,1,1,,1,H13,H,,,3.127,,,,citraconic_acid,,,36577,bmst000304,1
10,,1,1,1,,1,H14,H,,,3.127,,,,citraconic_acid,,,36577,bmst000304,1
11,,1,1,1,,1,H15,H,,,4.075,,,,citraconic_acid,,,36577,bmst000304,1
1,,1,1,1,,1,P2,P,,,-1.787,,,,creatine_phosphate,,,36587,bmst000305,1
2,,1,1,1,,1,N3,N,,,161.049,,,,creatine_phosphate,,,36587,bmst000305,1
3,,1,1,1,,1,C4,C,,,154.134,,,,creatine_phosphate,,,36587,bmst000305,1
4,,1,1,1,,1,N5,N,,,85.549,,,,creatine_phosphate,,,36587,bmst000305,1
5,,1,1,1,,1,C6,C,,,50.843,,,,creatine_phosphate,,,36587,bmst000305,1
6,,1,1,1,,1,C7,C,,,180.720,,,,creatine_phosphate,,,36587,bmst000305,1
7,,1,1,1,,1,N11,N,,,84.420,,,,creatine_phosphate,,,36587,bmst000305,1
8,,1,1,1,,1,C12,C,,,35.549,,,,creatine_phosphate,,,36587,bmst000305,1
9,,1,1,1,,1,H14,H,,,5.406,,,,creatine_phosphate,,,36587,bmst000305,1
10,,1,1,1,,1,H15,H,,,4.695,,,,creatine_phosphate,,,36587,bmst000305,1
11,,1,1,1,,1,H16,H,,,3.370,,,,creatine_phosphate,,,36587,bmst000305,1
12,,1,1,1,,1,H17,H,,,3.637,,,,creatine_phosphate,,,36587,bmst000305,1
13,,1,1,1,,1,H18,H,,,6.747,,,,creatine_phosphate,,,36587,bmst000305,1
14,,1,1,1,,1,H19,H,,,6.517,,,,creatine_phosphate,,,36587,bmst000305,1
15,,1,1,1,,1,H20,H,,,3.535,,,,creatine_phosphate,,,36587,bmst000305,1
16,,1,1,1,,1,H21,H,,,5.223,,,,creatine_phosphate,,,36587,bmst000305,1
17,,1,1,1,,1,H22,H,,,3.812,,,,creatine_phosphate,,,36587,bmst000305,1
18,,1,1,1,,1,H23,H,,,6.859,,,,creatine_phosphate,,,36587,bmst000305,1
1,,1,1,1,,1,C1,C,,,30.382,,,,creatinine,,,36597,bmst000306,1
2,,1,1,1,,1,C2,C,,,54.304,,,,creatinine,,,36597,bmst000306,1
3,,1,1,1,,1,C3,C,,,182.072,,,,creatinine,,,36597,bmst000306,1
4,,1,1,1,,1,C4,C,,,172.695,,,,creatinine,,,36597,bmst000306,1
5,,1,1,1,,1,N5,N,,,72.023,,,,creatinine,,,36597,bmst000306,1
6,,1,1,1,,1,N6,N,,,234.529,,,,creatinine,,,36597,bmst000306,1
7,,1,1,1,,1,N7,N,,,82.574,,,,creatinine,,,36597,bmst000306,1
8,,1,1,1,,1,H9,H,,,4.104,,,,creatinine,,,36597,bmst000306,1
9,,1,1,1,,1,H10,H,,,3.872,,,,creatinine,,,36597,bmst000306,1
10,,1,1,1,,1,H11,H,,,3.767,,,,creatinine,,,36597,bmst000306,1
11,,1,1,1,,1,H12,H,,,4.698,,,,creatinine,,,36597,bmst000306,1
12,,1,1,1,,1,H13,H,,,4.350,,,,creatinine,,,36597,bmst000306,1
13,,1,1,1,,1,H14,H,,,4.807,,,,creatinine,,,36597,bmst000306,1
14,,1,1,1,,1,H15,H,,,4.135,,,,creatinine,,,36597,bmst000306,1
1,,1,1,1,,1,C1,C,,,173.384,,,,cyanuric_acid,,,36607,bmst000307,1
2,,1,1,1,,1,C2,C,,,176.588,,,,cyanuric_acid,,,36607,bmst000307,1
3,,1,1,1,,1,C3,C,,,175.007,,,,cyanuric_acid,,,36607,bmst000307,1
4,,1,1,1,,1,N4,N,,,209.875,,,,cyanuric_acid,,,36607,bmst000307,1
5,,1,1,1,,1,N5,N,,,205.928,,,,cyanuric_acid,,,36607,bmst000307,1
6,,1,1,1,,1,N6,N,,,214.505,,,,cyanuric_acid,,,36607,bmst000307,1
7,,1,1,1,,1,H10,H,,,6.386,,,,cyanuric_acid,,,36607,bmst000307,1
8,,1,1,1,,1,H11,H,,,6.831,,,,cyanuric_acid,,,36607,bmst000307,1
9,,1,1,1,,1,H12,H,,,6.495,,,,cyanuric_acid,,,36607,bmst000307,1
1,,1,1,1,,1,C1,C,,,11.191,,,,diethyl_oxalacetate,,,36617,bmst000308,1
2,,1,1,1,,1,C2,C,,,60.820,,,,diethyl_oxalacetate,,,36617,bmst000308,1
3,,1,1,1,,1,C4,C,,,174.266,,,,diethyl_oxalacetate,,,36617,bmst000308,1
4,,1,1,1,,1,C6,C,,,46.364,,,,diethyl_oxalacetate,,,36617,bmst000308,1
5,,1,1,1,,1,C7,C,,,200.187,,,,diethyl_oxalacetate,,,36617,bmst000308,1
6,,1,1,1,,1,C9,C,,,162.963,,,,diethyl_oxalacetate,,,36617,bmst000308,1
7,,1,1,1,,1,C12,C,,,60.733,,,,diethyl_oxalacetate,,,36617,bmst000308,1
8,,1,1,1,,1,C13,C,,,11.295,,,,diethyl_oxalacetate,,,36617,bmst000308,1
9,,1,1,1,,1,H14,H,,,2.118,,,,diethyl_oxalacetate,,,36617,bmst000308,1
10,,1,1,1,,1,H15,H,,,2.634,,,,diethyl_oxalacetate,,,36617,bmst000308,1
11,,1,1,1,,1,H16,H,,,2.620,,,,diethyl_oxalacetate,,,36617,bmst000308,1
12,,1,1,1,,1,H17,H,,,5.169,,,,diethyl_oxalacetate,,,36617,bmst000308,1
13,,1,1,1,,1,H18,H,,,5.188,,,,diethyl_oxalacetate,,,36617,bmst000308,1
14,,1,1,1,,1,H19,H,,,4.362,,,,diethyl_oxalacetate,,,36617,bmst000308,1
15,,1,1,1,,1,H20,H,,,5.233,,,,diethyl_oxalacetate,,,36617,bmst000308,1
16,,1,1,1,,1,H21,H,,,5.268,,,,diethyl_oxalacetate,,,36617,bmst000308,1
17,,1,1,1,,1,H22,H,,,5.243,,,,diethyl_oxalacetate,,,36617,bmst000308,1
18,,1,1,1,,1,H23,H,,,2.160,,,,diethyl_oxalacetate,,,36617,bmst000308,1
19,,1,1,1,,1,H24,H,,,2.580,,,,diethyl_oxalacetate,,,36617,bmst000308,1
20,,1,1,1,,1,H25,H,,,2.592,,,,diethyl_oxalacetate,,,36617,bmst000308,1
1,,1,1,1,,1,C1,C,,,66.049,,,,dihydroxyacetone,,,36627,bmst000309,1
2,,1,1,1,,1,C3,C,,,203.872,,,,dihydroxyacetone,,,36627,bmst000309,1
3,,1,1,1,,1,C5,C,,,66.049,,,,dihydroxyacetone,,,36627,bmst000309,1
4,,1,1,1,,1,H7,H,,,5.307,,,,dihydroxyacetone,,,36627,bmst000309,1
5,,1,1,1,,1,H8,H,,,5.305,,,,dihydroxyacetone,,,36627,bmst000309,1
6,,1,1,1,,1,H9,H,,,-0.142,,,,dihydroxyacetone,,,36627,bmst000309,1
7,,1,1,1,,1,H10,H,,,5.308,,,,dihydroxyacetone,,,36627,bmst000309,1
8,,1,1,1,,1,H11,H,,,5.304,,,,dihydroxyacetone,,,36627,bmst000309,1
9,,1,1,1,,1,H12,H,,,-0.142,,,,dihydroxyacetone,,,36627,bmst000309,1
1,,1,1,1,,1,C1,C,,,12.007,,,,ethacrynic_acid,,,36637,bmst000310,1
2,,1,1,1,,1,C2,C,,,133.257,,,,ethacrynic_acid,,,36637,bmst000310,1
3,,1,1,1,,1,C3,C,,,128.242,,,,ethacrynic_acid,,,36637,bmst000310,1
4,,1,1,1,,1,C4,C,,,123.608,,,,ethacrynic_acid,,,36637,bmst000310,1
5,,1,1,1,,1,C5,C,,,27.857,,,,ethacrynic_acid,,,36637,bmst000310,1
6,,1,1,1,,1,C6,C,,,69.964,,,,ethacrynic_acid,,,36637,bmst000310,1
7,,1,1,1,,1,C7,C,,,138.946,,,,ethacrynic_acid,,,36637,bmst000310,1
8,,1,1,1,,1,C8,C,,,160.817,,,,ethacrynic_acid,,,36637,bmst000310,1
9,,1,1,1,,1,C9,C,,,138.987,,,,ethacrynic_acid,,,36637,bmst000310,1
10,,1,1,1,,1,C10,C,,,136.966,,,,ethacrynic_acid,,,36637,bmst000310,1
11,,1,1,1,,1,C11,C,,,151.631,,,,ethacrynic_acid,,,36637,bmst000310,1
12,,1,1,1,,1,C12,C,,,171.209,,,,ethacrynic_acid,,,36637,bmst000310,1
13,,1,1,1,,1,C13,C,,,201.953,,,,ethacrynic_acid,,,36637,bmst000310,1
14,,1,1,1,,1,H20,H,,,1.857,,,,ethacrynic_acid,,,36637,bmst000310,1
15,,1,1,1,,1,H21,H,,,1.993,,,,ethacrynic_acid,,,36637,bmst000310,1
16,,1,1,1,,1,H22,H,,,2.006,,,,ethacrynic_acid,,,36637,bmst000310,1
17,,1,1,1,,1,H23,H,,,8.061,,,,ethacrynic_acid,,,36637,bmst000310,1
18,,1,1,1,,1,H24,H,,,7.233,,,,ethacrynic_acid,,,36637,bmst000310,1
19,,1,1,1,,1,H25,H,,,8.276,,,,ethacrynic_acid,,,36637,bmst000310,1
20,,1,1,1,,1,H26,H,,,8.327,,,,ethacrynic_acid,,,36637,bmst000310,1
21,,1,1,1,,1,H27,H,,,3.283,,,,ethacrynic_acid,,,36637,bmst000310,1
22,,1,1,1,,1,H28,H,,,3.274,,,,ethacrynic_acid,,,36637,bmst000310,1
23,,1,1,1,,1,H29,H,,,5.091,,,,ethacrynic_acid,,,36637,bmst000310,1
24,,1,1,1,,1,H30,H,,,6.229,,,,ethacrynic_acid,,,36637,bmst000310,1
25,,1,1,1,,1,H31,H,,,6.501,,,,ethacrynic_acid,,,36637,bmst000310,1
1,,1,1,1,,1,C1,C,,,158.891,,,,formate,,,36647,bmst000311,1
2,,1,1,1,,1,H4,H,,,9.826,,,,formate,,,36647,bmst000311,1
3,,1,1,1,,1,H5,H,,,6.534,,,,formate,,,36647,bmst000311,1
1,,1,1,1,,1,C1,C,,,85.308,,,,gamma_D_galactonolactone,,,36657,bmst000312,1
2,,1,1,1,,1,C2,C,,,74.622,,,,gamma_D_galactonolactone,,,36657,bmst000312,1
3,,1,1,1,,1,C4,C,,,65.798,,,,gamma_D_galactonolactone,,,36657,bmst000312,1
4,,1,1,1,,1,C5,C,,,76.426,,,,gamma_D_galactonolactone,,,36657,bmst000312,1
5,,1,1,1,,1,C7,C,,,179.967,,,,gamma_D_galactonolactone,,,36657,bmst000312,1
6,,1,1,1,,1,C8,C,,,66.854,,,,gamma_D_galactonolactone,,,36657,bmst000312,1
7,,1,1,1,,1,H13,H,,,5.385,,,,gamma_D_galactonolactone,,,36657,bmst000312,1
8,,1,1,1,,1,H14,H,,,5.505,,,,gamma_D_galactonolactone,,,36657,bmst000312,1
9,,1,1,1,,1,H15,H,,,5.839,,,,gamma_D_galactonolactone,,,36657,bmst000312,1
10,,1,1,1,,1,H16,H,,,4.702,,,,gamma_D_galactonolactone,,,36657,bmst000312,1
11,,1,1,1,,1,H17,H,,,0.663,,,,gamma_D_galactonolactone,,,36657,bmst000312,1
12,,1,1,1,,1,H18,H,,,4.622,,,,gamma_D_galactonolactone,,,36657,bmst000312,1
13,,1,1,1,,1,H19,H,,,5.186,,,,gamma_D_galactonolactone,,,36657,bmst000312,1
14,,1,1,1,,1,H20,H,,,2.773,,,,gamma_D_galactonolactone,,,36657,bmst000312,1
15,,1,1,1,,1,H21,H,,,0.924,,,,gamma_D_galactonolactone,,,36657,bmst000312,1
16,,1,1,1,,1,H22,H,,,0.436,,,,gamma_D_galactonolactone,,,36657,bmst000312,1
1,,1,1,1,,1,C1,C,,,70.407,,,,glycerol,,,36667,bmst000313,1
2,,1,1,1,,1,C5,C,,,65.729,,,,glycerol,,,36667,bmst000313,1
3,,1,1,1,,1,C6,C,,,64.388,,,,glycerol,,,36667,bmst000313,1
4,,1,1,1,,1,H7,H,,,5.197,,,,glycerol,,,36667,bmst000313,1
5,,1,1,1,,1,H8,H,,,2.656,,,,glycerol,,,36667,bmst000313,1
6,,1,1,1,,1,H9,H,,,0.340,,,,glycerol,,,36667,bmst000313,1
7,,1,1,1,,1,H10,H,,,-0.066,,,,glycerol,,,36667,bmst000313,1
8,,1,1,1,,1,H11,H,,,4.444,,,,glycerol,,,36667,bmst000313,1
9,,1,1,1,,1,H12,H,,,4.660,,,,glycerol,,,36667,bmst000313,1
10,,1,1,1,,1,H13,H,,,4.530,,,,glycerol,,,36667,bmst000313,1
11,,1,1,1,,1,H14,H,,,4.126,,,,glycerol,,,36667,bmst000313,1
1,,1,1,1,,1,C1,C,,,84.602,,,,glycogen,,,36677,bmst000314,1
2,,1,1,1,,1,C2,C,,,70.920,,,,glycogen,,,36677,bmst000314,1
3,,1,1,1,,1,C4,C,,,71.898,,,,glycogen,,,36677,bmst000314,1
4,,1,1,1,,1,C6,C,,,76.750,,,,glycogen,,,36677,bmst000314,1
5,,1,1,1,,1,C7,C,,,100.444,,,,glycogen,,,36677,bmst000314,1
6,,1,1,1,,1,C8,C,,,71.129,,,,glycogen,,,36677,bmst000314,1
7,,1,1,1,,1,C10,C,,,98.033,,,,glycogen,,,36677,bmst000314,1
8,,1,1,1,,1,C13,C,,,76.594,,,,glycogen,,,36677,bmst000314,1
9,,1,1,1,,1,C16,C,,,104.666,,,,glycogen,,,36677,bmst000314,1
10,,1,1,1,,1,C17,C,,,81.651,,,,glycogen,,,36677,bmst000314,1
11,,1,1,1,,1,C18,C,,,76.660,,,,glycogen,,,36677,bmst000314,1
12,,1,1,1,,1,C20,C,,,68.988,,,,glycogen,,,36677,bmst000314,1
13,,1,1,1,,1,C22,C,,,75.446,,,,glycogen,,,36677,bmst000314,1
14,,1,1,1,,1,C23,C,,,68.055,,,,glycogen,,,36677,bmst000314,1
15,,1,1,1,,1,C24,C,,,61.936,,,,glycogen,,,36677,bmst000314,1
16,,1,1,1,,1,C26,C,,,72.449,,,,glycogen,,,36677,bmst000314,1
17,,1,1,1,,1,C27,C,,,76.728,,,,glycogen,,,36677,bmst000314,1
18,,1,1,1,,1,C28,C,,,74.163,,,,glycogen,,,36677,bmst000314,1
19,,1,1,1,,1,C29,C,,,71.919,,,,glycogen,,,36677,bmst000314,1
20,,1,1,1,,1,C34,C,,,59.616,,,,glycogen,,,36677,bmst000314,1
21,,1,1,1,,1,C35,C,,,74.882,,,,glycogen,,,36677,bmst000314,1
22,,1,1,1,,1,C37,C,,,72.014,,,,glycogen,,,36677,bmst000314,1
23,,1,1,1,,1,C38,C,,,66.498,,,,glycogen,,,36677,bmst000314,1
24,,1,1,1,,1,C40,C,,,96.203,,,,glycogen,,,36677,bmst000314,1
25,,1,1,1,,1,H46,H,,,4.540,,,,glycogen,,,36677,bmst000314,1
26,,1,1,1,,1,H47,H,,,6.113,,,,glycogen,,,36677,bmst000314,1
27,,1,1,1,,1,H48,H,,,5.324,,,,glycogen,,,36677,bmst000314,1
28,,1,1,1,,1,H49,H,,,4.802,,,,glycogen,,,36677,bmst000314,1
29,,1,1,1,,1,H50,H,,,5.092,,,,glycogen,,,36677,bmst000314,1
30,,1,1,1,,1,H51,H,,,5.559,,,,glycogen,,,36677,bmst000314,1
31,,1,1,1,,1,H52,H,,,4.033,,,,glycogen,,,36677,bmst000314,1
32,,1,1,1,,1,H53,H,,,2.234,,,,glycogen,,,36677,bmst000314,1
33,,1,1,1,,1,H54,H,,,6.844,,,,glycogen,,,36677,bmst000314,1
34,,1,1,1,,1,H55,H,,,5.297,,,,glycogen,,,36677,bmst000314,1
35,,1,1,1,,1,H56,H,,,1.114,,,,glycogen,,,36677,bmst000314,1
36,,1,1,1,,1,H57,H,,,5.696,,,,glycogen,,,36677,bmst000314,1
37,,1,1,1,,1,H58,H,,,5.029,,,,glycogen,,,36677,bmst000314,1
38,,1,1,1,,1,H59,H,,,4.791,,,,glycogen,,,36677,bmst000314,1
39,,1,1,1,,1,H60,H,,,1.423,,,,glycogen,,,36677,bmst000314,1
40,,1,1,1,,1,H61,H,,,5.353,,,,glycogen,,,36677,bmst000314,1
41,,1,1,1,,1,H62,H,,,3.896,,,,glycogen,,,36677,bmst000314,1
42,,1,1,1,,1,H63,H,,,4.034,,,,glycogen,,,36677,bmst000314,1
43,,1,1,1,,1,H64,H,,,4.734,,,,glycogen,,,36677,bmst000314,1
44,,1,1,1,,1,H65,H,,,4.373,,,,glycogen,,,36677,bmst000314,1
45,,1,1,1,,1,H66,H,,,2.335,,,,glycogen,,,36677,bmst000314,1
46,,1,1,1,,1,H67,H,,,4.608,,,,glycogen,,,36677,bmst000314,1
47,,1,1,1,,1,H68,H,,,4.776,,,,glycogen,,,36677,bmst000314,1
48,,1,1,1,,1,H69,H,,,5.673,,,,glycogen,,,36677,bmst000314,1
49,,1,1,1,,1,H70,H,,,4.999,,,,glycogen,,,36677,bmst000314,1
50,,1,1,1,,1,H71,H,,,1.842,,,,glycogen,,,36677,bmst000314,1
51,,1,1,1,,1,H72,H,,,1.023,,,,glycogen,,,36677,bmst000314,1
52,,1,1,1,,1,H73,H,,,4.537,,,,glycogen,,,36677,bmst000314,1
53,,1,1,1,,1,H74,H,,,4.679,,,,glycogen,,,36677,bmst000314,1
54,,1,1,1,,1,H75,H,,,5.611,,,,glycogen,,,36677,bmst000314,1
55,,1,1,1,,1,H76,H,,,3.835,,,,glycogen,,,36677,bmst000314,1
56,,1,1,1,,1,H77,H,,,0.189,,,,glycogen,,,36677,bmst000314,1
57,,1,1,1,,1,H78,H,,,3.444,,,,glycogen,,,36677,bmst000314,1
58,,1,1,1,,1,H79,H,,,4.756,,,,glycogen,,,36677,bmst000314,1
59,,1,1,1,,1,H80,H,,,5.506,,,,glycogen,,,36677,bmst000314,1
60,,1,1,1,,1,H81,H,,,1.186,,,,glycogen,,,36677,bmst000314,1
61,,1,1,1,,1,H82,H,,,6.088,,,,glycogen,,,36677,bmst000314,1
62,,1,1,1,,1,H83,H,,,4.423,,,,glycogen,,,36677,bmst000314,1
63,,1,1,1,,1,H84,H,,,1.177,,,,glycogen,,,36677,bmst000314,1
64,,1,1,1,,1,H85,H,,,4.293,,,,glycogen,,,36677,bmst000314,1
65,,1,1,1,,1,H86,H,,,0.364,,,,glycogen,,,36677,bmst000314,1
66,,1,1,1,,1,H87,H,,,1.203,,,,glycogen,,,36677,bmst000314,1
1,,1,1,1,,1,C1,C,,,63.453,,,,glycolate,,,36687,bmst000315,1
2,,1,1,1,,1,C2,C,,,175.495,,,,glycolate,,,36687,bmst000315,1
3,,1,1,1,,1,H6,H,,,5.548,,,,glycolate,,,36687,bmst000315,1
4,,1,1,1,,1,H7,H,,,5.550,,,,glycolate,,,36687,bmst000315,1
5,,1,1,1,,1,H8,H,,,-0.029,,,,glycolate,,,36687,bmst000315,1
6,,1,1,1,,1,H9,H,,,6.668,,,,glycolate,,,36687,bmst000315,1
1,,1,1,1,,1,C1,C,,,115.764,,,,homogentisic_acid,,,36697,bmst000316,1
2,,1,1,1,,1,C2,C,,,115.207,,,,homogentisic_acid,,,36697,bmst000316,1
3,,1,1,1,,1,C3,C,,,118.615,,,,homogentisic_acid,,,36697,bmst000316,1
4,,1,1,1,,1,C4,C,,,35.399,,,,homogentisic_acid,,,36697,bmst000316,1
5,,1,1,1,,1,C5,C,,,151.758,,,,homogentisic_acid,,,36697,bmst000316,1
6,,1,1,1,,1,C6,C,,,150.688,,,,homogentisic_acid,,,36697,bmst000316,1
7,,1,1,1,,1,C7,C,,,122.360,,,,homogentisic_acid,,,36697,bmst000316,1
8,,1,1,1,,1,C8,C,,,175.619,,,,homogentisic_acid,,,36697,bmst000316,1
9,,1,1,1,,1,H13,H,,,7.905,,,,homogentisic_acid,,,36697,bmst000316,1
10,,1,1,1,,1,H14,H,,,7.410,,,,homogentisic_acid,,,36697,bmst000316,1
11,,1,1,1,,1,H15,H,,,7.266,,,,homogentisic_acid,,,36697,bmst000316,1
12,,1,1,1,,1,H16,H,,,4.048,,,,homogentisic_acid,,,36697,bmst000316,1
13,,1,1,1,,1,H17,H,,,4.968,,,,homogentisic_acid,,,36697,bmst000316,1
14,,1,1,1,,1,H18,H,,,4.028,,,,homogentisic_acid,,,36697,bmst000316,1
15,,1,1,1,,1,H19,H,,,4.278,,,,homogentisic_acid,,,36697,bmst000316,1
16,,1,1,1,,1,H20,H,,,6.348,,,,homogentisic_acid,,,36697,bmst000316,1
1,,1,1,1,,1,C1,C,,,57.017,,,,homovanillic_acid,,,36707,bmst000317,1
2,,1,1,1,,1,C2,C,,,125.863,,,,homovanillic_acid,,,36707,bmst000317,1
3,,1,1,1,,1,C3,C,,,114.299,,,,homovanillic_acid,,,36707,bmst000317,1
4,,1,1,1,,1,C4,C,,,130.537,,,,homovanillic_acid,,,36707,bmst000317,1
5,,1,1,1,,1,C5,C,,,37.872,,,,homovanillic_acid,,,36707,bmst000317,1
6,,1,1,1,,1,C6,C,,,125.221,,,,homovanillic_acid,,,36707,bmst000317,1
7,,1,1,1,,1,C7,C,,,153.710,,,,homovanillic_acid,,,36707,bmst000317,1
8,,1,1,1,,1,C8,C,,,150.872,,,,homovanillic_acid,,,36707,bmst000317,1
9,,1,1,1,,1,C9,C,,,175.787,,,,homovanillic_acid,,,36707,bmst000317,1
10,,1,1,1,,1,H14,H,,,5.227,,,,homovanillic_acid,,,36707,bmst000317,1
11,,1,1,1,,1,H15,H,,,4.363,,,,homovanillic_acid,,,36707,bmst000317,1
12,,1,1,1,,1,H16,H,,,5.642,,,,homovanillic_acid,,,36707,bmst000317,1
13,,1,1,1,,1,H17,H,,,7.904,,,,homovanillic_acid,,,36707,bmst000317,1
14,,1,1,1,,1,H18,H,,,7.292,,,,homovanillic_acid,,,36707,bmst000317,1
15,,1,1,1,,1,H19,H,,,8.621,,,,homovanillic_acid,,,36707,bmst000317,1
16,,1,1,1,,1,H20,H,,,4.674,,,,homovanillic_acid,,,36707,bmst000317,1
17,,1,1,1,,1,H21,H,,,4.323,,,,homovanillic_acid,,,36707,bmst000317,1
18,,1,1,1,,1,H22,H,,,4.206,,,,homovanillic_acid,,,36707,bmst000317,1
19,,1,1,1,,1,H23,H,,,6.383,,,,homovanillic_acid,,,36707,bmst000317,1
1,,1,1,1,,1,H1,H,,,7.642,,,,indole_3_acetic_acid,,,36717,bmst000318,1
2,,1,1,1,,1,C2,C,,,120.772,,,,indole_3_acetic_acid,,,36717,bmst000318,1
3,,1,1,1,,1,C3,C,,,123.066,,,,indole_3_acetic_acid,,,36717,bmst000318,1
4,,1,1,1,,1,C4,C,,,120.782,,,,indole_3_acetic_acid,,,36717,bmst000318,1
5,,1,1,1,,1,C5,C,,,110.061,,,,indole_3_acetic_acid,,,36717,bmst000318,1
6,,1,1,1,,1,C6,C,,,124.222,,,,indole_3_acetic_acid,,,36717,bmst000318,1
7,,1,1,1,,1,C7,C,,,29.210,,,,indole_3_acetic_acid,,,36717,bmst000318,1
8,,1,1,1,,1,C8,C,,,126.581,,,,indole_3_acetic_acid,,,36717,bmst000318,1
9,,1,1,1,,1,C9,C,,,133.652,,,,indole_3_acetic_acid,,,36717,bmst000318,1
10,,1,1,1,,1,C10,C,,,108.771,,,,indole_3_acetic_acid,,,36717,bmst000318,1
11,,1,1,1,,1,C11,C,,,175.821,,,,indole_3_acetic_acid,,,36717,bmst000318,1
12,,1,1,1,,1,N12,N,,,134.529,,,,indole_3_acetic_acid,,,36717,bmst000318,1
13,,1,1,1,,1,H15,H,,,8.349,,,,indole_3_acetic_acid,,,36717,bmst000318,1
14,,1,1,1,,1,H16,H,,,8.369,,,,indole_3_acetic_acid,,,36717,bmst000318,1
15,,1,1,1,,1,H17,H,,,8.688,,,,indole_3_acetic_acid,,,36717,bmst000318,1
16,,1,1,1,,1,H18,H,,,8.213,,,,indole_3_acetic_acid,,,36717,bmst000318,1
17,,1,1,1,,1,H19,H,,,7.987,,,,indole_3_acetic_acid,,,36717,bmst000318,1
18,,1,1,1,,1,H20,H,,,4.581,,,,indole_3_acetic_acid,,,36717,bmst000318,1
19,,1,1,1,,1,H21,H,,,4.939,,,,indole_3_acetic_acid,,,36717,bmst000318,1
20,,1,1,1,,1,H22,H,,,6.421,,,,indole_3_acetic_acid,,,36717,bmst000318,1
1,,1,1,1,,1,C1,C,,,57.557,,,,isethionic_acid,,,36727,bmst000319,1
2,,1,1,1,,1,C2,C,,,51.954,,,,isethionic_acid,,,36727,bmst000319,1
3,,1,1,1,,1,H8,H,,,5.063,,,,isethionic_acid,,,36727,bmst000319,1
4,,1,1,1,,1,H9,H,,,4.891,,,,isethionic_acid,,,36727,bmst000319,1
5,,1,1,1,,1,H10,H,,,4.018,,,,isethionic_acid,,,36727,bmst000319,1
6,,1,1,1,,1,H11,H,,,4.255,,,,isethionic_acid,,,36727,bmst000319,1
7,,1,1,1,,1,H12,H,,,0.076,,,,isethionic_acid,,,36727,bmst000319,1
8,,1,1,1,,1,H13,H,,,5.102,,,,isethionic_acid,,,36727,bmst000319,1
1,,1,1,1,,1,C1,C,,,124.435,,,,isonicotinic_acid,,,36737,bmst000320,1
2,,1,1,1,,1,C2,C,,,123.592,,,,isonicotinic_acid,,,36737,bmst000320,1
3,,1,1,1,,1,C3,C,,,153.511,,,,isonicotinic_acid,,,36737,bmst000320,1
4,,1,1,1,,1,C4,C,,,153.439,,,,isonicotinic_acid,,,36737,bmst000320,1
5,,1,1,1,,1,C5,C,,,134.479,,,,isonicotinic_acid,,,36737,bmst000320,1
6,,1,1,1,,1,C6,C,,,170.816,,,,isonicotinic_acid,,,36737,bmst000320,1
7,,1,1,1,,1,N7,N,,,373.644,,,,isonicotinic_acid,,,36737,bmst000320,1
8,,1,1,1,,1,H10,H,,,9.591,,,,isonicotinic_acid,,,36737,bmst000320,1
9,,1,1,1,,1,H11,H,,,9.373,,,,isonicotinic_acid,,,36737,bmst000320,1
10,,1,1,1,,1,H12,H,,,10.550,,,,isonicotinic_acid,,,36737,bmst000320,1
11,,1,1,1,,1,H13,H,,,10.485,,,,isonicotinic_acid,,,36737,bmst000320,1
12,,1,1,1,,1,H14,H,,,6.863,,,,isonicotinic_acid,,,36737,bmst000320,1
1,,1,1,1,,1,C1,C,,,132.902,,,,itaconic_acid,,,36747,bmst000321,1
2,,1,1,1,,1,C2,C,,,169.701,,,,itaconic_acid,,,36747,bmst000321,1
3,,1,1,1,,1,C3,C,,,176.179,,,,itaconic_acid,,,36747,bmst000321,1
4,,1,1,1,,1,C4,C,,,30.036,,,,itaconic_acid,,,36747,bmst000321,1
5,,1,1,1,,1,C6,C,,,138.304,,,,itaconic_acid,,,36747,bmst000321,1
6,,1,1,1,,1,H10,H,,,4.413,,,,itaconic_acid,,,36747,bmst000321,1
7,,1,1,1,,1,H11,H,,,4.409,,,,itaconic_acid,,,36747,bmst000321,1
8,,1,1,1,,1,H12,H,,,9.331,,,,itaconic_acid,,,36747,bmst000321,1
9,,1,1,1,,1,H13,H,,,8.861,,,,itaconic_acid,,,36747,bmst000321,1
10,,1,1,1,,1,H14,H,,,6.340,,,,itaconic_acid,,,36747,bmst000321,1
11,,1,1,1,,1,H15,H,,,6.604,,,,itaconic_acid,,,36747,bmst000321,1
1,,1,1,1,,1,C1,C,,,91.857,,,,kanamycin,,,36757,bmst000322,1
2,,1,1,1,,1,C2,C,,,73.137,,,,kanamycin,,,36757,bmst000322,1
3,,1,1,1,,1,C4,C,,,49.806,,,,kanamycin,,,36757,bmst000322,1
4,,1,1,1,,1,C5,C,,,89.171,,,,kanamycin,,,36757,bmst000322,1
5,,1,1,1,,1,C7,C,,,102.253,,,,kanamycin,,,36757,bmst000322,1
6,,1,1,1,,1,C8,C,,,34.041,,,,kanamycin,,,36757,bmst000322,1
7,,1,1,1,,1,N9,N,,,41.552,,,,kanamycin,,,36757,bmst000322,1
8,,1,1,1,,1,C11,C,,,44.800,,,,kanamycin,,,36757,bmst000322,1
9,,1,1,1,,1,C13,C,,,67.772,,,,kanamycin,,,36757,bmst000322,1
10,,1,1,1,,1,C14,C,,,93.915,,,,kanamycin,,,36757,bmst000322,1
11,,1,1,1,,1,N15,N,,,40.137,,,,kanamycin,,,36757,bmst000322,1
12,,1,1,1,,1,C16,C,,,81.623,,,,kanamycin,,,36757,bmst000322,1
13,,1,1,1,,1,C17,C,,,50.599,,,,kanamycin,,,36757,bmst000322,1
14,,1,1,1,,1,C20,C,,,73.850,,,,kanamycin,,,36757,bmst000322,1
15,,1,1,1,,1,C21,C,,,81.103,,,,kanamycin,,,36757,bmst000322,1
16,,1,1,1,,1,C22,C,,,66.610,,,,kanamycin,,,36757,bmst000322,1
17,,1,1,1,,1,N23,N,,,34.051,,,,kanamycin,,,36757,bmst000322,1
18,,1,1,1,,1,C24,C,,,70.570,,,,kanamycin,,,36757,bmst000322,1
19,,1,1,1,,1,C25,C,,,72.665,,,,kanamycin,,,36757,bmst000322,1
20,,1,1,1,,1,C29,C,,,75.534,,,,kanamycin,,,36757,bmst000322,1
21,,1,1,1,,1,C30,C,,,41.092,,,,kanamycin,,,36757,bmst000322,1
22,,1,1,1,,1,N33,N,,,29.763,,,,kanamycin,,,36757,bmst000322,1
23,,1,1,1,,1,H34,H,,,3.756,,,,kanamycin,,,36757,bmst000322,1
24,,1,1,1,,1,H35,H,,,4.822,,,,kanamycin,,,36757,bmst000322,1
25,,1,1,1,,1,H36,H,,,3.645,,,,kanamycin,,,36757,bmst000322,1
26,,1,1,1,,1,H37,H,,,4.217,,,,kanamycin,,,36757,bmst000322,1
27,,1,1,1,,1,H38,H,,,7.943,,,,kanamycin,,,36757,bmst000322,1
28,,1,1,1,,1,H39,H,,,6.737,,,,kanamycin,,,36757,bmst000322,1
29,,1,1,1,,1,H40,H,,,1.689,,,,kanamycin,,,36757,bmst000322,1
30,,1,1,1,,1,H41,H,,,3.456,,,,kanamycin,,,36757,bmst000322,1
31,,1,1,1,,1,H42,H,,,2.532,,,,kanamycin,,,36757,bmst000322,1
32,,1,1,1,,1,H43,H,,,0.013,,,,kanamycin,,,36757,bmst000322,1
33,,1,1,1,,1,H44,H,,,3.837,,,,kanamycin,,,36757,bmst000322,1
34,,1,1,1,,1,H45,H,,,3.603,,,,kanamycin,,,36757,bmst000322,1
35,,1,1,1,,1,H46,H,,,6.389,,,,kanamycin,,,36757,bmst000322,1
36,,1,1,1,,1,H47,H,,,-0.209,,,,kanamycin,,,36757,bmst000322,1
37,,1,1,1,,1,H48,H,,,2.725,,,,kanamycin,,,36757,bmst000322,1
38,,1,1,1,,1,H49,H,,,4.907,,,,kanamycin,,,36757,bmst000322,1
39,,1,1,1,,1,H50,H,,,4.054,,,,kanamycin,,,36757,bmst000322,1
40,,1,1,1,,1,H51,H,,,4.333,,,,kanamycin,,,36757,bmst000322,1
41,,1,1,1,,1,H52,H,,,4.503,,,,kanamycin,,,36757,bmst000322,1
42,,1,1,1,,1,H53,H,,,3.104,,,,kanamycin,,,36757,bmst000322,1
43,,1,1,1,,1,H54,H,,,4.418,,,,kanamycin,,,36757,bmst000322,1
44,,1,1,1,,1,H55,H,,,4.128,,,,kanamycin,,,36757,bmst000322,1
45,,1,1,1,,1,H56,H,,,2.295,,,,kanamycin,,,36757,bmst000322,1
46,,1,1,1,,1,H57,H,,,-0.097,,,,kanamycin,,,36757,bmst000322,1
47,,1,1,1,,1,H58,H,,,5.712,,,,kanamycin,,,36757,bmst000322,1
48,,1,1,1,,1,H59,H,,,5.126,,,,kanamycin,,,36757,bmst000322,1
49,,1,1,1,,1,H60,H,,,2.172,,,,kanamycin,,,36757,bmst000322,1
50,,1,1,1,,1,H61,H,,,0.511,,,,kanamycin,,,36757,bmst000322,1
51,,1,1,1,,1,H62,H,,,0.150,,,,kanamycin,,,36757,bmst000322,1
52,,1,1,1,,1,H63,H,,,3.740,,,,kanamycin,,,36757,bmst000322,1
53,,1,1,1,,1,H64,H,,,3.536,,,,kanamycin,,,36757,bmst000322,1
54,,1,1,1,,1,H65,H,,,3.555,,,,kanamycin,,,36757,bmst000322,1
55,,1,1,1,,1,H66,H,,,2.197,,,,kanamycin,,,36757,bmst000322,1
56,,1,1,1,,1,H67,H,,,0.464,,,,kanamycin,,,36757,bmst000322,1
57,,1,1,1,,1,H68,H,,,2.514,,,,kanamycin,,,36757,bmst000322,1
58,,1,1,1,,1,H69,H,,,1.536,,,,kanamycin,,,36757,bmst000322,1
1,,1,1,1,,1,C1,C,,,139.408,,,,maleic_acid,,,36767,bmst000323,1
2,,1,1,1,,1,C2,C,,,139.408,,,,maleic_acid,,,36767,bmst000323,1
3,,1,1,1,,1,C3,C,,,165.308,,,,maleic_acid,,,36767,bmst000323,1
4,,1,1,1,,1,C4,C,,,165.308,,,,maleic_acid,,,36767,bmst000323,1
5,,1,1,1,,1,H9,H,,,7.728,,,,maleic_acid,,,36767,bmst000323,1
6,,1,1,1,,1,H10,H,,,7.728,,,,maleic_acid,,,36767,bmst000323,1
7,,1,1,1,,1,H11,H,,,6.636,,,,maleic_acid,,,36767,bmst000323,1
8,,1,1,1,,1,H12,H,,,6.636,,,,maleic_acid,,,36767,bmst000323,1
1,,1,1,1,,1,C1,C,,,40.285,,,,malic_acid,,,36777,bmst000324,1
2,,1,1,1,,1,C2,C,,,182.636,,,,malic_acid,,,36777,bmst000324,1
3,,1,1,1,,1,C3,C,,,173.111,,,,malic_acid,,,36777,bmst000324,1
4,,1,1,1,,1,C4,C,,,67.008,,,,malic_acid,,,36777,bmst000324,1
5,,1,1,1,,1,H10,H,,,3.893,,,,malic_acid,,,36777,bmst000324,1
6,,1,1,1,,1,H11,H,,,3.303,,,,malic_acid,,,36777,bmst000324,1
7,,1,1,1,,1,H12,H,,,5.925,,,,malic_acid,,,36777,bmst000324,1
8,,1,1,1,,1,H13,H,,,6.771,,,,malic_acid,,,36777,bmst000324,1
9,,1,1,1,,1,H14,H,,,6.627,,,,malic_acid,,,36777,bmst000324,1
10,,1,1,1,,1,H15,H,,,2.731,,,,malic_acid,,,36777,bmst000324,1
1,,1,1,1,,1,C1,C,,,99.721,,,,melibiose,,,36787,bmst000325,1
2,,1,1,1,,1,C4,C,,,72.249,,,,melibiose,,,36787,bmst000325,1
3,,1,1,1,,1,C5,C,,,71.238,,,,melibiose,,,36787,bmst000325,1
4,,1,1,1,,1,C6,C,,,66.903,,,,melibiose,,,36787,bmst000325,1
5,,1,1,1,,1,C7,C,,,68.603,,,,melibiose,,,36787,bmst000325,1
6,,1,1,1,,1,C9,C,,,66.993,,,,melibiose,,,36787,bmst000325,1
7,,1,1,1,,1,C10,C,,,61.098,,,,melibiose,,,36787,bmst000325,1
8,,1,1,1,,1,C11,C,,,76.340,,,,melibiose,,,36787,bmst000325,1
9,,1,1,1,,1,C15,C,,,70.187,,,,melibiose,,,36787,bmst000325,1
10,,1,1,1,,1,C17,C,,,76.163,,,,melibiose,,,36787,bmst000325,1
11,,1,1,1,,1,C19,C,,,100.661,,,,melibiose,,,36787,bmst000325,1
12,,1,1,1,,1,C20,C,,,74.701,,,,melibiose,,,36787,bmst000325,1
13,,1,1,1,,1,H24,H,,,5.480,,,,melibiose,,,36787,bmst000325,1
14,,1,1,1,,1,H25,H,,,4.551,,,,melibiose,,,36787,bmst000325,1
15,,1,1,1,,1,H26,H,,,4.861,,,,melibiose,,,36787,bmst000325,1
16,,1,1,1,,1,H27,H,,,4.580,,,,melibiose,,,36787,bmst000325,1
17,,1,1,1,,1,H28,H,,,5.049,,,,melibiose,,,36787,bmst000325,1
18,,1,1,1,,1,H29,H,,,4.941,,,,melibiose,,,36787,bmst000325,1
19,,1,1,1,,1,H30,H,,,0.482,,,,melibiose,,,36787,bmst000325,1
20,,1,1,1,,1,H31,H,,,4.521,,,,melibiose,,,36787,bmst000325,1
21,,1,1,1,,1,H32,H,,,4.639,,,,melibiose,,,36787,bmst000325,1
22,,1,1,1,,1,H33,H,,,5.425,,,,melibiose,,,36787,bmst000325,1
23,,1,1,1,,1,H34,H,,,4.636,,,,melibiose,,,36787,bmst000325,1
24,,1,1,1,,1,H35,H,,,2.396,,,,melibiose,,,36787,bmst000325,1
25,,1,1,1,,1,H36,H,,,2.475,,,,melibiose,,,36787,bmst000325,1
26,,1,1,1,,1,H37,H,,,1.211,,,,melibiose,,,36787,bmst000325,1
27,,1,1,1,,1,H38,H,,,4.353,,,,melibiose,,,36787,bmst000325,1
28,,1,1,1,,1,H39,H,,,4.367,,,,melibiose,,,36787,bmst000325,1
29,,1,1,1,,1,H40,H,,,2.151,,,,melibiose,,,36787,bmst000325,1
30,,1,1,1,,1,H41,H,,,5.345,,,,melibiose,,,36787,bmst000325,1
31,,1,1,1,,1,H42,H,,,4.224,,,,melibiose,,,36787,bmst000325,1
32,,1,1,1,,1,H43,H,,,2.169,,,,melibiose,,,36787,bmst000325,1
33,,1,1,1,,1,H44,H,,,2.193,,,,melibiose,,,36787,bmst000325,1
34,,1,1,1,,1,H45,H,,,1.612,,,,melibiose,,,36787,bmst000325,1
1,,1,1,1,,1,C1,C,,,42.917,,,,methyl_4_aminobutyrate,,,36797,bmst000326,1
2,,1,1,1,,1,C2,C,,,24.754,,,,methyl_4_aminobutyrate,,,36797,bmst000326,1
3,,1,1,1,,1,C3,C,,,177.710,,,,methyl_4_aminobutyrate,,,36797,bmst000326,1
4,,1,1,1,,1,C4,C,,,30.142,,,,methyl_4_aminobutyrate,,,36797,bmst000326,1
5,,1,1,1,,1,C5,C,,,50.394,,,,methyl_4_aminobutyrate,,,36797,bmst000326,1
6,,1,1,1,,1,N6,N,,,37.239,,,,methyl_4_aminobutyrate,,,36797,bmst000326,1
7,,1,1,1,,1,H9,H,,,3.546,,,,methyl_4_aminobutyrate,,,36797,bmst000326,1
8,,1,1,1,,1,H10,H,,,3.566,,,,methyl_4_aminobutyrate,,,36797,bmst000326,1
9,,1,1,1,,1,H11,H,,,2.749,,,,methyl_4_aminobutyrate,,,36797,bmst000326,1
10,,1,1,1,,1,H12,H,,,2.828,,,,methyl_4_aminobutyrate,,,36797,bmst000326,1
11,,1,1,1,,1,H13,H,,,3.176,,,,methyl_4_aminobutyrate,,,36797,bmst000326,1
12,,1,1,1,,1,H14,H,,,3.258,,,,methyl_4_aminobutyrate,,,36797,bmst000326,1
13,,1,1,1,,1,H15,H,,,4.882,,,,methyl_4_aminobutyrate,,,36797,bmst000326,1
14,,1,1,1,,1,H16,H,,,4.812,,,,methyl_4_aminobutyrate,,,36797,bmst000326,1
15,,1,1,1,,1,H17,H,,,4.908,,,,methyl_4_aminobutyrate,,,36797,bmst000326,1
16,,1,1,1,,1,H18,H,,,0.880,,,,methyl_4_aminobutyrate,,,36797,bmst000326,1
17,,1,1,1,,1,H19,H,,,0.436,,,,methyl_4_aminobutyrate,,,36797,bmst000326,1
1,,1,1,1,,1,C1,C,,,55.816,,,,methyl_N_acetyl_alpha_D_glucosaminide,,,36807,bmst000327,1
2,,1,1,1,,1,C2,C,,,72.905,,,,methyl_N_acetyl_alpha_D_glucosaminide,,,36807,bmst000327,1
3,,1,1,1,,1,C3,C,,,95.755,,,,methyl_N_acetyl_alpha_D_glucosaminide,,,36807,bmst000327,1
4,,1,1,1,,1,C5,C,,,68.463,,,,methyl_N_acetyl_alpha_D_glucosaminide,,,36807,bmst000327,1
5,,1,1,1,,1,C6,C,,,83.761,,,,methyl_N_acetyl_alpha_D_glucosaminide,,,36807,bmst000327,1
6,,1,1,1,,1,N7,N,,,114.224,,,,methyl_N_acetyl_alpha_D_glucosaminide,,,36807,bmst000327,1
7,,1,1,1,,1,C8,C,,,168.604,,,,methyl_N_acetyl_alpha_D_glucosaminide,,,36807,bmst000327,1
8,,1,1,1,,1,C13,C,,,58.891,,,,methyl_N_acetyl_alpha_D_glucosaminide,,,36807,bmst000327,1
9,,1,1,1,,1,C15,C,,,18.279,,,,methyl_N_acetyl_alpha_D_glucosaminide,,,36807,bmst000327,1
10,,1,1,1,,1,C16,C,,,54.274,,,,methyl_N_acetyl_alpha_D_glucosaminide,,,36807,bmst000327,1
11,,1,1,1,,1,H17,H,,,3.557,,,,methyl_N_acetyl_alpha_D_glucosaminide,,,36807,bmst000327,1
12,,1,1,1,,1,H18,H,,,5.189,,,,methyl_N_acetyl_alpha_D_glucosaminide,,,36807,bmst000327,1
13,,1,1,1,,1,H19,H,,,5.703,,,,methyl_N_acetyl_alpha_D_glucosaminide,,,36807,bmst000327,1
14,,1,1,1,,1,H20,H,,,4.445,,,,methyl_N_acetyl_alpha_D_glucosaminide,,,36807,bmst000327,1
15,,1,1,1,,1,H21,H,,,5.098,,,,methyl_N_acetyl_alpha_D_glucosaminide,,,36807,bmst000327,1
16,,1,1,1,,1,H22,H,,,6.436,,,,methyl_N_acetyl_alpha_D_glucosaminide,,,36807,bmst000327,1
17,,1,1,1,,1,H23,H,,,0.377,,,,methyl_N_acetyl_alpha_D_glucosaminide,,,36807,bmst000327,1
18,,1,1,1,,1,H24,H,,,0.448,,,,methyl_N_acetyl_alpha_D_glucosaminide,,,36807,bmst000327,1
19,,1,1,1,,1,H25,H,,,4.208,,,,methyl_N_acetyl_alpha_D_glucosaminide,,,36807,bmst000327,1
20,,1,1,1,,1,H26,H,,,5.815,,,,methyl_N_acetyl_alpha_D_glucosaminide,,,36807,bmst000327,1
21,,1,1,1,,1,H27,H,,,0.013,,,,methyl_N_acetyl_alpha_D_glucosaminide,,,36807,bmst000327,1
22,,1,1,1,,1,H28,H,,,2.432,,,,methyl_N_acetyl_alpha_D_glucosaminide,,,36807,bmst000327,1
23,,1,1,1,,1,H29,H,,,3.600,,,,methyl_N_acetyl_alpha_D_glucosaminide,,,36807,bmst000327,1
24,,1,1,1,,1,H30,H,,,2.774,,,,methyl_N_acetyl_alpha_D_glucosaminide,,,36807,bmst000327,1
25,,1,1,1,,1,H31,H,,,5.004,,,,methyl_N_acetyl_alpha_D_glucosaminide,,,36807,bmst000327,1
26,,1,1,1,,1,H32,H,,,3.958,,,,methyl_N_acetyl_alpha_D_glucosaminide,,,36807,bmst000327,1
27,,1,1,1,,1,H33,H,,,5.358,,,,methyl_N_acetyl_alpha_D_glucosaminide,,,36807,bmst000327,1
1,,1,1,1,,1,C2,C,,,158.429,,,,methyl_oxobutanoic_acid,,,36817,bmst000328,1
2,,1,1,1,,1,C4,C,,,207.115,,,,methyl_oxobutanoic_acid,,,36817,bmst000328,1
3,,1,1,1,,1,C5,C,,,36.484,,,,methyl_oxobutanoic_acid,,,36817,bmst000328,1
4,,1,1,1,,1,C6,C,,,18.538,,,,methyl_oxobutanoic_acid,,,36817,bmst000328,1
5,,1,1,1,,1,C7,C,,,18.538,,,,methyl_oxobutanoic_acid,,,36817,bmst000328,1
6,,1,1,1,,1,H9,H,,,8.585,,,,methyl_oxobutanoic_acid,,,36817,bmst000328,1
7,,1,1,1,,1,H10,H,,,3.409,,,,methyl_oxobutanoic_acid,,,36817,bmst000328,1
8,,1,1,1,,1,H11,H,,,2.301,,,,methyl_oxobutanoic_acid,,,36817,bmst000328,1
9,,1,1,1,,1,H12,H,,,2.148,,,,methyl_oxobutanoic_acid,,,36817,bmst000328,1
10,,1,1,1,,1,H13,H,,,2.623,,,,methyl_oxobutanoic_acid,,,36817,bmst000328,1
11,,1,1,1,,1,H14,H,,,2.148,,,,methyl_oxobutanoic_acid,,,36817,bmst000328,1
12,,1,1,1,,1,H15,H,,,2.301,,,,methyl_oxobutanoic_acid,,,36817,bmst000328,1
13,,1,1,1,,1,H16,H,,,2.623,,,,methyl_oxobutanoic_acid,,,36817,bmst000328,1
1,,1,1,1,,1,C1,C,,,156.980,,,,oxalate,,,36827,bmst000329,1
2,,1,1,1,,1,C4,C,,,157.576,,,,oxalate,,,36827,bmst000329,1
3,,1,1,1,,1,H7,H,,,9.585,,,,oxalate,,,36827,bmst000329,1
4,,1,1,1,,1,H8,H,,,7.103,,,,oxalate,,,36827,bmst000329,1
1,,1,1,1,,1,H1,H,,,8.490,,,,phenylacetic_acid,,,36837,bmst000330,1
2,,1,1,1,,1,H2,H,,,8.545,,,,phenylacetic_acid,,,36837,bmst000330,1
3,,1,1,1,,1,H3,H,,,8.601,,,,phenylacetic_acid,,,36837,bmst000330,1
4,,1,1,1,,1,H4,H,,,8.511,,,,phenylacetic_acid,,,36837,bmst000330,1
5,,1,1,1,,1,H5,H,,,9.052,,,,phenylacetic_acid,,,36837,bmst000330,1
6,,1,1,1,,1,H6,H,,,4.355,,,,phenylacetic_acid,,,36837,bmst000330,1
7,,1,1,1,,1,H7,H,,,4.591,,,,phenylacetic_acid,,,36837,bmst000330,1
8,,1,1,1,,1,H8,H,,,6.301,,,,phenylacetic_acid,,,36837,bmst000330,1
9,,1,1,1,,1,C9,C,,,128.132,,,,phenylacetic_acid,,,36837,bmst000330,1
10,,1,1,1,,1,C10,C,,,129.180,,,,phenylacetic_acid,,,36837,bmst000330,1
11,,1,1,1,,1,C11,C,,,129.469,,,,phenylacetic_acid,,,36837,bmst000330,1
12,,1,1,1,,1,C12,C,,,130.947,,,,phenylacetic_acid,,,36837,bmst000330,1
13,,1,1,1,,1,C13,C,,,129.836,,,,phenylacetic_acid,,,36837,bmst000330,1
14,,1,1,1,,1,C14,C,,,133.979,,,,phenylacetic_acid,,,36837,bmst000330,1
15,,1,1,1,,1,C15,C,,,175.753,,,,phenylacetic_acid,,,36837,bmst000330,1
16,,1,1,1,,1,C16,C,,,40.668,,,,phenylacetic_acid,,,36837,bmst000330,1
1,,1,1,1,,1,C1,C,,,165.322,,,,phosphoenolpyruvic_acid,,,36847,bmst000332,1
2,,1,1,1,,1,C4,C,,,148.525,,,,phosphoenolpyruvic_acid,,,36847,bmst000332,1
3,,1,1,1,,1,C5,C,,,112.560,,,,phosphoenolpyruvic_acid,,,36847,bmst000332,1
4,,1,1,1,,1,P7,P,,,-4.708,,,,phosphoenolpyruvic_acid,,,36847,bmst000332,1
5,,1,1,1,,1,H11,H,,,6.366,,,,phosphoenolpyruvic_acid,,,36847,bmst000332,1
6,,1,1,1,,1,H12,H,,,7.210,,,,phosphoenolpyruvic_acid,,,36847,bmst000332,1
7,,1,1,1,,1,H13,H,,,7.818,,,,phosphoenolpyruvic_acid,,,36847,bmst000332,1
8,,1,1,1,,1,H14,H,,,4.042,,,,phosphoenolpyruvic_acid,,,36847,bmst000332,1
9,,1,1,1,,1,H15,H,,,4.040,,,,phosphoenolpyruvic_acid,,,36847,bmst000332,1
1,,1,1,1,,1,C1,C,,,94.352,,,,polygalacturonic_acid,,,36857,bmst000333,1
2,,1,1,1,,1,C2,C,,,74.120,,,,polygalacturonic_acid,,,36857,bmst000333,1
3,,1,1,1,,1,C3,C,,,76.406,,,,polygalacturonic_acid,,,36857,bmst000333,1
4,,1,1,1,,1,C4,C,,,66.641,,,,polygalacturonic_acid,,,36857,bmst000333,1
5,,1,1,1,,1,C5,C,,,72.641,,,,polygalacturonic_acid,,,36857,bmst000333,1
6,,1,1,1,,1,C6,C,,,181.032,,,,polygalacturonic_acid,,,36857,bmst000333,1
7,,1,1,1,,1,H14,H,,,6.220,,,,polygalacturonic_acid,,,36857,bmst000333,1
8,,1,1,1,,1,H15,H,,,4.287,,,,polygalacturonic_acid,,,36857,bmst000333,1
9,,1,1,1,,1,H16,H,,,4.445,,,,polygalacturonic_acid,,,36857,bmst000333,1
10,,1,1,1,,1,H17,H,,,5.500,,,,polygalacturonic_acid,,,36857,bmst000333,1
11,,1,1,1,,1,H18,H,,,5.671,,,,polygalacturonic_acid,,,36857,bmst000333,1
12,,1,1,1,,1,H19,H,,,1.777,,,,polygalacturonic_acid,,,36857,bmst000333,1
13,,1,1,1,,1,H20,H,,,0.075,,,,polygalacturonic_acid,,,36857,bmst000333,1
14,,1,1,1,,1,H21,H,,,0.143,,,,polygalacturonic_acid,,,36857,bmst000333,1
15,,1,1,1,,1,H22,H,,,4.091,,,,polygalacturonic_acid,,,36857,bmst000333,1
16,,1,1,1,,1,H23,H,,,6.776,,,,polygalacturonic_acid,,,36857,bmst000333,1
1,,1,1,1,,1,C1,C,,,176.909,,,,propionic_acid,,,36867,bmst000334,1
2,,1,1,1,,1,C2,C,,,26.839,,,,propionic_acid,,,36867,bmst000334,1
3,,1,1,1,,1,C3,C,,,9.540,,,,propionic_acid,,,36867,bmst000334,1
4,,1,1,1,,1,H6,H,,,3.535,,,,propionic_acid,,,36867,bmst000334,1
5,,1,1,1,,1,H7,H,,,3.031,,,,propionic_acid,,,36867,bmst000334,1
6,,1,1,1,,1,H8,H,,,2.181,,,,propionic_acid,,,36867,bmst000334,1
7,,1,1,1,,1,H9,H,,,2.645,,,,propionic_acid,,,36867,bmst000334,1
8,,1,1,1,,1,H10,H,,,2.350,,,,propionic_acid,,,36867,bmst000334,1
9,,1,1,1,,1,H11,H,,,6.247,,,,propionic_acid,,,36867,bmst000334,1