0 B8R0.9 C/C=C(/C)CCC(C)=O HMDB0031591 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.4 CC(=O)CCCC=O HMDB0033568 [1,0,0,0,0,0|2,0,0]=3 2 B7R0.4 CCCCCC(O)=O HMDB0000535 [1,0,0,0,0,0|0,0,2]=3 3 B7R0.4 OC(=O)CCCC=O HMDB0012233 [1,0,0,0,0,0|1,0,0]=2 4 B7R0.6 CC(=C)CCC(C)=O HMDB0031551 [1,0,0,0,0,0|2,0,1]=4 5 B7R0.6 CC(C)CCC(C)=O HMDB0031549 [1,0,0,0,0,0|2,0,1]=4 6 B7R0.6 CC(C)CCC(O)=O HMDB0000689 [1,0,0,0,0,0|1,0,1]=3 7 B7R0.6 OC(=O)CCN(=O)=O HMDB0034259 [1,0,0,0,0,0|3,0,0]=4 8 B9R0.7 CC(CCC(O)=O)C(O)=O HMDB0000422 [0,1,0,0,0,0|2,0,0]=3 9 B9R0.7 N[C@H](CCC(O)=O)C(O)=O HMDB0003339 [0,1,0,0,0,0|1,0,0]=2 10 B9R1.35 CC1CNC(C1)C(O)=O HMDB0029435 [0,0,0,1,0,0|2,0,1]=4 11 B9R1.35 OC1CNC(C1)C(O)=O HMDB0036576 [0,0,0,1,0,0|2,0,1]=4 12 B9R1.69 CC1CCC(=O)OC1C HMDB0031174 [0,0,0,1,0,0|1,0,2]=4 13 B9R1.125 CC1(CCC(=O)O1)C=C HMDB0032333 [0,0,0,1,0,0|1,0,0]=2 14 B7R0.2 CC(CO)CC(O)=O HMDB0002011 [0,0,0,0,1,0|2,0,1]=4 15 B7R0.2 CCC(C)CC(O)=O HMDB0033774 [0,0,0,0,1,0|1,0,2]=4 16 B6R0.1 CCCC(O)C=C HMDB0031503 [2,0,0,0,0,0|1,0,1]=4 17 B6R0.4 CC(=O)OCCN HMDB0038394 [2,0,0,0,0,0|2,0,0]=4 18 B6R0.4 CCCCC(O)=O HMDB0000892 [2,0,0,0,0,0|0,0,1]=3 19 B6R0.4 CCOCC(O)=O HMDB0031212 [2,0,0,0,0,0|1,0,1]=4 20 B6R0.4 CSCCC(O)=O HMDB0001527 [2,0,0,0,0,0|1,0,1]=4 21 B6R0.4 OC(=O)CCC=C HMDB0031602 [2,0,0,0,0,0|0,0,0]=2 22 B6R0.4 OC(=O)CCC=O HMDB0001259 [2,0,0,0,0,0|1,0,0]=3 23 B6R0.6 C/C=C/CCC=O HMDB0040271 [2,0,0,0,0,0|0,0,2]=4 24 B6R0.6 C/C=C\CCC=O HMDB0033549 [2,0,0,0,0,0|0,0,2]=4 25 B6R0.6 C=CCSCC=C HMDB0036491 [2,0,0,0,0,0|2,0,0]=4 26 B6R0.6 CSCCCC=O HMDB0037474 [2,0,0,0,0,0|1,0,1]=4 27 B6R0.6 O=CCCCC=O HMDB0029599 [2,0,0,0,0,0|1,0,0]=3 28 B8R0.8 NC(CCCO)C(O)=O HMDB0031658 [1,1,0,0,0,0|1,0,1]=4 29 B8R0.7 CC(=O)OCCCC=C HMDB0032460 [1,1,0,0,0,0|1,0,0]=3 30 B8R0.7 CC(O)CCCCC=C HMDB0037181 [1,1,0,0,0,0|1,0,1]=4 31 B8R0.7 CC/C=C\CCC(O)=O HMDB0033793 [1,1,0,0,0,0|0,0,2]=4 32 B8R0.7 CCCCCCC(O)=O HMDB0000666 [1,1,0,0,0,0|0,0,2]=4 33 B8R0.7 OC(=O)CCCCC=O HMDB0012882 [1,1,0,0,0,0|0,0,1]=3 34 B8R0.28 CC(=C)CCOC(C)=O HMDB0032391 [1,1,0,0,0,0|2,0,0]=4 35 B8R0.28 CC(C)CCCC(O)=O HMDB0031595 [1,1,0,0,0,0|0,0,2]=4 36 B8R0.23 CC(C)CC(O)C(O)=O HMDB0000665 [1,1,0,0,0,0|1,0,1]=4 37 B8R0.23 CC(C)C[C@@H](O)C(O)=O HMDB0000624 [1,1,0,0,0,0|1,0,1]=4 38 B8R0.23 CC(C)C[C@H](N)C(O)=O HMDB0000687 [1,1,0,0,0,0|1,0,1]=4 39 B8R0.23 CC(C)C[C@H](O)C(O)=O HMDB0000746 [1,1,0,0,0,0|1,0,1]=4 40 B8R0.23 N[C@H](CC(N)=O)C(O)=O HMDB0033780 [1,1,0,0,0,0|1,0,1]=4 41 B10R0.98 CC(=O)NCC[C@H](N)C(O)=O HMDB0031411 [0,1,0,0,0,1|2,0,0]=4 42 B10R0.98 CC(=O)OCCC(N)C(O)=O HMDB0029423 [0,1,0,0,0,1|2,0,0]=4 43 B10R0.98 NC(CSCC(O)=O)C(O)=O HMDB0029415 [0,1,0,0,0,1|1,0,0]=3 44 B10R0.93 NC(CC(=C)C(O)=O)C(O)=O HMDB0029433 [0,2,0,0,0,0|1,0,1]=4 45 B10R0.93 NC(CC(O)C(O)=N)C(O)=O HMDB0029424 [0,2,0,0,0,0|2,0,0]=4 46 B10R0.26 C/C=C\S(=O)CC(N)C(O)=O HMDB0029441 [0,2,0,0,0,0|2,0,0]=4 47 B10R0.26 NC(CS(=O)CC=C)C(O)=O HMDB0033592 [0,2,0,0,0,0|2,0,0]=4 48 B10R0.96 C[C@@H](CCC(O)=O)CC(O)=O HMDB0000555 [0,2,0,0,0,0|1,0,1]=4 49 B8R1.1 COC1CCC(=O)N1 HMDB0034208 [1,0,0,1,0,0|1,0,1]=4 50 B8R1.50 CC1CCC(=O)C1=O HMDB0031543 [1,0,0,1,0,0|2,0,0]=4 51 B8R1.4 CC1=CC(=O)CCC1 HMDB0031541 [1,0,0,1,0,0|1,0,1]=4 52 B8R1.7 CC(=O)N1CCC=C1 HMDB0031163 [1,0,0,1,0,0|2,0,0]=4 53 B10R1.190 NC(CC1CC1=C)C(O)=O HMDB0029427 [0,1,0,1,0,0|1,0,0]=3 54 B6R0.2 CC(C)CC(O)=O HMDB0000718 [1,0,0,0,1,0|1,0,1]=4 55 B6R0.2 CC(N)CC(O)=O HMDB0031654 [1,0,0,0,1,0|0,0,1]=3