0 B9R0.39 CC(=O)N[C@@H](CO)C(=O)O HMDB0002931 [0,0,0,0,0,0|0,1,0]=1 1 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O HMDB0001890 [0,0,0,0,0,0|0,0,0]=0 2 B8R0.23 CC(=O)N[C@@H](C)C(=O)O HMDB0000766 [1,0,0,0,0,0|0,0,0]=1 3 B8R0.23 CC(CC(=O)O)C(=O)O HMDB0001844 [1,0,0,0,0,0|2,0,0]=3 4 B8R0.23 C\C(=C\C(=O)O)C(=O)O HMDB0000634 [1,0,0,0,0,0|2,0,1]=4 5 B8R0.23 NC(=O)C[C@H](N)C(=O)O HMDB0000168 [1,0,0,0,0,0|3,0,0]=4 6 B8R0.23 N[C@@H](CC(=O)O)C(=O)O HMDB0000191 [1,0,0,0,0,0|3,0,0]=4 7 B8R0.23 N[C@H](CC(=O)O)C(=O)O HMDB0006483 [1,0,0,0,0,0|3,0,0]=4 8 B8R0.23 O=C(O)CC(O)C(=O)O HMDB0000744 [1,0,0,0,0,0|2,1,0]=4 9 B8R0.23 O=C(O)C[C@H](O)C(=O)O HMDB0000156 [1,0,0,0,0,0|2,1,0]=4 10 B10R0.23 CCCC(CC(C)=O)C(=O)O HMDB0060683 [0,1,0,0,0,0|2,0,0]=3 11 B10R0.119 CCC(O)(CC(=O)O)C(=O)O HMDB0059758 [0,1,0,0,0,0|3,0,0]=4 12 B8R0.18 CCC(C(=O)O)C(=O)O HMDB0000622 [0,0,0,0,1,0|2,0,0]=3 13 B10R0.84 CCC(CCC(=O)O)C(=O)O HMDB0059738 [0,0,0,0,0,1|3,0,0]=4 14 B7R0.15 CCC(CO)C(=O)O HMDB0000396 [2,0,0,0,0,0|0,1,1]=4 15 B7R0.6 CC(=O)CCC(=O)O HMDB0000720 [2,0,0,0,0,0|1,0,0]=3 16 B7R0.6 CC(=O)NCC(=O)O HMDB0000532 [2,0,0,0,0,0|0,0,0]=2 17 B7R0.6 N=C(N)NCC(=O)O HMDB0000128 [2,0,0,0,0,0|2,0,0]=4 18 B7R0.6 O=C(O)CCC(=O)O HMDB0000254 [2,0,0,0,0,0|2,0,0]=4 19 B9R0.15 C\C=C/C(CCC)C(=O)O HMDB0013903 [1,1,0,0,0,0|2,0,0]=4 20 B9R0.15 C\C=C\C(CCC)C(=O)O HMDB0013904 [1,1,0,0,0,0|2,0,0]=4 21 B9R0.11 CC(O)(CC(=O)O)C(=O)O HMDB0000426 [1,1,0,0,0,0|2,0,0]=4 22 B9R0.79 O=C(O)C(S)C(S)C(=O)O HMDB0014706 [1,1,0,0,0,0|2,0,0]=4 23 B11R0.32 CC(=O)N[C@@H](CC(=O)O)C(=O)O HMDB0000812 [0,1,0,0,0,1|0,1,1]=4 24 B11R0.160 CC(=O)N[C@@H](CCCN)C(=O)O HMDB0003357 [0,2,0,0,0,0|1,0,0]=3 25 B9R1.6 O=C(O)C1CCCCN1 HMDB0000070 [1,0,0,1,0,0|1,0,1]=4 26 B9R1.35 O=C1CCC(C(=O)O)O1 HMDB0059743 [1,0,0,1,0,0|2,0,0]=4 27 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 HMDB0000267 [1,0,0,1,0,0|1,0,0]=3 28 B7R0.16 CC(=O)C(C)C(=O)O HMDB0003771 [1,0,0,0,1,0|0,0,0]=2 29 B7R0.16 CC(C(=O)O)C(=O)O HMDB0000202 [1,0,0,0,1,0|1,0,0]=3 30 B7R0.16 CC(O)C(C)C(=O)O HMDB0000354 [1,0,0,0,1,0|0,0,2]=4 31 B7R0.16 NC(C(=O)O)C(=O)O HMDB0001147 [1,0,0,0,1,0|2,0,0]=4 32 B9R0.7 CC(=O)OC[C@H](N)C(=O)O HMDB0003011 [1,0,0,0,0,1|2,0,0]=4 33 B9R0.7 CC(CCC(=O)O)C(=O)O HMDB0000422 [1,0,0,0,0,1|2,0,0]=4 34 B9R0.7 CC(CNC(N)=O)C(=O)O HMDB0002031 [1,0,0,0,0,1|1,0,0]=3 35 B9R0.53 CC(CC(=O)O)CC(=O)O HMDB0000752 [1,0,0,0,0,1|2,0,0]=4