0 B9R0.7 CC(CCC(O)=O)C(O)=O HMDB0000422 [0,0,0,0,0,0|4,0,0]=4 1 B9R0.7 C[S+](C)CCC(N)C(O)=O HMDB0038670 [0,0,0,0,0,0|0,0,0]=0 2 B9R0.7 NC(CNN(=O)=O)C(O)=O HMDB0029398 [0,0,0,0,0,0|4,0,0]=4 3 B9R0.7 N[C@H](CCC(O)=O)C(O)=O HMDB0003339 [0,0,0,0,0,0|3,0,0]=3 4 B8R0.8 CCCCC(C)C(O)=O HMDB0031594 [1,0,0,0,0,0|2,0,0]=3 5 B8R0.8 CSCCC(=O)C(O)=O HMDB0001553 [1,0,0,0,0,0|1,0,2]=4 6 B8R0.8 CSCCC(N)C(O)=O HMDB0033951 [1,0,0,0,0,0|0,0,1]=2 7 B8R0.8 CSCCC(O)C(O)=O HMDB0037115 [1,0,0,0,0,0|1,0,1]=3 8 B8R0.8 CSCC[C@H](N)C(O)=O HMDB0000696 [1,0,0,0,0,0|0,0,1]=2 9 B8R0.8 NC(CCCO)C(O)=O HMDB0031658 [1,0,0,0,0,0|2,0,0]=3 10 B8R0.8 NCCCC(N)C(O)=O HMDB0032455 [1,0,0,0,0,0|2,0,0]=3 11 B8R0.28 CC(C)=CCCC(C)=O HMDB0035915 [1,0,0,0,0,0|2,0,1]=4 12 B8R0.28 CC(C)CCCC(O)=O HMDB0031595 [1,0,0,0,0,0|1,0,0]=2 13 B8R0.28 CC(C)CCOC(C)=O HMDB0031528 [1,0,0,0,0,0|3,0,0]=4 14 B10R0.92 CS(=N)(=O)CCC(N)C(O)=O HMDB0029430 [0,1,0,0,0,0|1,0,1]=3 15 B10R0.93 NC(CC(O)C(O)=N)C(O)=O HMDB0029424 [0,1,0,0,0,0|3,0,0]=4 16 B10R1.13 OC1CCC(NC1)C(O)=O HMDB0029426 [0,0,0,1,0,0|2,0,0]=3 17 B10R1.190 NC(CC1CC1=C)C(O)=O HMDB0029427 [0,0,0,1,0,0|1,0,1]=3 18 B8R0.23 CC(=O)CC(O)C(O)=O HMDB0040531 [0,0,0,0,1,0|3,0,0]=4 19 B8R0.23 CC(C)CC(=O)C(O)=O HMDB0000695 [0,0,0,0,1,0|2,0,1]=4 20 B8R0.23 CC(C)CC(O)C(O)=O HMDB0000665 [0,0,0,0,1,0|2,0,0]=3 21 B8R0.23 CC(C)C[C@@H](O)C(O)=O HMDB0000624 [0,0,0,0,1,0|2,0,0]=3 22 B8R0.23 CC(C)C[C@H](N)C(O)=O HMDB0000687 [0,0,0,0,1,0|1,0,0]=2 23 B8R0.23 CC(C)C[C@H](O)C(O)=O HMDB0000746 [0,0,0,0,1,0|2,0,0]=3 24 B8R0.23 CS(=O)CC(N)C(O)=O HMDB0029432 [0,0,0,0,1,0|1,0,1]=3 25 B8R0.23 N[C@H](CC(N)=O)C(O)=O HMDB0033780 [0,0,0,0,1,0|3,0,0]=4 26 B10R0.98 CC(=O)NCC[C@H](N)C(O)=O HMDB0031411 [0,0,0,0,0,1|2,0,0]=3 27 B10R0.98 CC(=O)OCCC(N)C(O)=O HMDB0029423 [0,0,0,0,0,1|2,0,0]=3 28 B10R0.98 NC(CSCC(O)=O)C(O)=O HMDB0029415 [0,0,0,0,0,1|3,0,0]=4 29 B7R0.3 CCCCC(C)C=O HMDB0040191 [2,0,0,0,0,0|2,0,0]=4 30 B7R0.4 CC(=O)CCCC=O HMDB0033568 [2,0,0,0,0,0|2,0,0]=4 31 B7R0.4 CC(C)CCOC=O HMDB0034163 [2,0,0,0,0,0|2,0,0]=4 32 B7R0.4 CCCCCC(O)=O HMDB0000535 [2,0,0,0,0,0|1,0,0]=3 33 B7R0.4 OC(=O)CCCC=O HMDB0012233 [2,0,0,0,0,0|2,0,0]=4 34 B7R0.5 CCCC(C)C(O)=O HMDB0031580 [2,0,0,0,0,0|1,0,0]=3 35 B7R0.5 CSC[C@H](N)C(O)=O HMDB0002108 [2,0,0,0,0,0|0,0,1]=3 36 B7R0.5 C[Se]CC(N)C(O)=O HMDB0031466 [2,0,0,0,0,0|0,1,0]=3 37 B9R0.6 CCCC(=C)C(N)C(O)=O HMDB0030410 [1,1,0,0,0,0|1,0,1]=4 38 B9R0.13 CCCCC(CC)C(O)=O HMDB0031230 [1,1,0,0,0,0|2,0,0]=4 39 B9R0.42 CCS(=O)CC(N)C(O)=O HMDB0037057 [1,1,0,0,0,0|2,0,0]=4 40 B9R0.47 C/C=C\SCC(N)C(O)=O HMDB0029440 [1,1,0,0,0,0|1,0,1]=4 41 B9R0.47 CCCCCC(C)C(O)=O HMDB0031587 [1,1,0,0,0,0|2,0,0]=4 42 B9R0.47 CCCSCC(N)C(O)=O HMDB0034324 [1,1,0,0,0,0|1,0,0]=3 43 B9R0.47 CSCCCC(N)C(O)=O HMDB0030406 [1,1,0,0,0,0|0,0,1]=3 44 B9R0.47 NC(CSCC=C)C(O)=O HMDB0034323 [1,1,0,0,0,0|1,0,1]=4 45 B9R0.47 NCCCC[C@H](N)C(O)=O HMDB0000182 [1,1,0,0,0,0|1,0,0]=3 46 B9R0.47 NCCSCC(N)C(O)=O HMDB0033518 [1,1,0,0,0,0|2,0,0]=4 47 B9R0.1 COC(=O)CCCC(C)C HMDB0031596 [1,1,0,0,0,0|1,0,0]=3 48 B9R0.1 COC(=O)CCCC(O)=O HMDB0000858 [1,1,0,0,0,0|2,0,0]=4 49 B9R0.56 C[N+](C)(C)CCCC(O)=O HMDB0001161 [1,1,0,0,0,0|1,0,0]=3 50 B9R0.79 CC(O)C(C)C(N)C(O)=O HMDB0029449 [0,1,0,0,1,0|2,0,0]=4 51 B11R0.141 CCN=C(O)CCC(N)C(O)=O HMDB0034365 [0,2,0,0,0,0|2,0,0]=4 52 B9R1.6 OC(=O)C1CCCCC1 HMDB0031342 [1,0,0,1,0,0|2,0,0]=4 53 B7R0.16 CC(C)C(O)C(O)=O HMDB0000407 [0,0,0,0,2,0|2,0,0]=4 54 B7R0.16 CC(C)[C@H](N)C(O)=O HMDB0000883 [0,0,0,0,2,0|1,0,0]=3 55 B7R0.16 C[C@@H](O)[C@H](N)C(O)=O HMDB0000167 [0,0,0,0,2,0|2,0,0]=4 56 B9R0.55 CC(=O)NCCCC(O)=O HMDB0003681 [1,0,0,0,0,1|2,0,0]=4 57 B9R0.55 CC(C)CCCCC(O)=O HMDB0031588 [1,0,0,0,0,1|1,0,0]=3 58 B11R0.6 CC(CCC=C(C)C)CC(O)=O HMDB0035837 [0,0,0,0,0,2|2,0,0]=4