0 B7R0.4 CCCCCC(=O)O HMDB0000535 [0,0,0,0,0,0|0,0,4]=4 1 B6R0.4 C=CCCC(=O)O HMDB0031602 [1,0,0,0,0,0|0,0,2]=3 2 B6R0.4 CCCCC(=O)O HMDB0000892 [1,0,0,0,0,0|0,0,3]=4 3 B6R0.4 CSCCC(=O)O HMDB0001527 [1,0,0,0,0,0|1,0,2]=4 4 B6R0.4 O=CCCC(=O)O HMDB0001259 [1,0,0,0,0,0|1,0,2]=4 5 B8R0.8 CSCCC(=O)C(=O)O HMDB0001553 [0,1,0,0,0,0|1,0,2]=4 6 B8R0.9 CCC(=O)NCC(=O)O HMDB0000783 [0,1,0,0,0,0|1,0,2]=4 7 B8R0.28 O=C(O)\C=C\CC(=O)O HMDB0000620 [0,1,0,0,0,0|1,0,1]=3 8 B8R0.28 O=C(O)\C=C\CC(=O)O HMDB0061185 [0,1,0,0,0,0|1,0,1]=3 9 B8R1.1 CSC1=CC=C(C)O1 HMDB0041566 [0,0,0,1,0,0|2,0,0]=3 10 B8R1.4 CC1=CC=CC(O)=C1 HMDB0002048 [0,0,0,1,0,0|1,0,0]=2 11 B8R1.4 NC1=CC=NC(=O)N1 HMDB0000630 [0,0,0,1,0,0|3,0,0]=4 12 B8R1.4 O=C1C=CNC(=O)N1 HMDB0000300 [0,0,0,1,0,0|3,0,0]=4 13 B8R1.7 O=C(O)C1=CC=CN1 HMDB0004230 [0,0,0,1,0,0|1,0,0]=2 14 B8R1.7 O=C(O)C1=CC=CO1 HMDB0000617 [0,0,0,1,0,0|1,0,0]=2 15 B8R1.7 O=C(O)C1=CNN=C1 HMDB0060760 [0,0,0,1,0,0|2,0,1]=4 16 B5R0.1 CCCC(=O)O HMDB0000039 [2,0,0,0,0,0|0,0,2]=4 17 B5R0.1 CNCC(=O)O HMDB0000271 [2,0,0,0,0,0|1,0,1]=4 18 B7R0.5 CCCC(=O)C(=O)O HMDB0001865 [1,1,0,0,0,0|0,0,2]=4 19 B7R0.6 CC(=O)CCC(=O)O HMDB0000720 [1,1,0,0,0,0|0,0,2]=4 20 B7R0.6 CC(=O)NCC(=O)O HMDB0000532 [1,1,0,0,0,0|1,0,1]=4 21 B7R0.6 O=C(O)\C=C\C(=O)O HMDB0000134 [1,1,0,0,0,0|1,0,0]=3 22 B7R0.6 O=C(O)\C=C\C(=O)O HMDB0000176 [1,1,0,0,0,0|1,0,0]=3 23 B9R0.53 C\C(=C/C(=O)O)CC(=O)O HMDB0000522 [0,2,0,0,0,0|1,0,1]=4 24 B9R0.55 O=C(O)\C=C/C=C\C(=O)O HMDB0002349 [0,2,0,0,0,0|0,0,1]=3 25 B9R0.55 O=C(O)\C=C\CCC(=O)O HMDB0013311 [0,2,0,0,0,0|1,0,1]=4 26 B9R0.7 C\C(=C/CC(=O)O)C(=O)O HMDB0002266 [0,2,0,0,0,0|1,0,1]=4 27 B7R1.2 CC1=CC=C(C)O1 HMDB0033182 [1,0,0,1,0,0|1,0,0]=3 28 B7R1.3 CC1=CC=CC=C1 HMDB0034168 [1,0,0,1,0,0|2,0,0]=4 29 B7R1.3 NC1=CC=CC=C1 HMDB0003012 [1,0,0,1,0,0|2,0,0]=4 30 B7R1.3 OC1=CC=CC=C1 HMDB0000228 [1,0,0,1,0,0|1,0,0]=3 31 B7R1.1 O=CC1=CC=CO1 HMDB0032914 [1,0,0,1,0,0|1,0,0]=3 32 B7R1.1 OCC1=CC=CO1 HMDB0013742 [1,0,0,1,0,0|1,0,1]=4 33 B7R1.4 CC1=CSC=C1C HMDB0032980 [1,0,0,1,0,0|2,0,0]=4 34 B9R1.13 O=C(O)CC1=CN=CN1 HMDB0002024 [0,1,0,1,0,0|1,0,1]=4 35 B9R1.1 CCC1=CC=C(O)C=C1 HMDB0029306 [0,1,0,1,0,0|1,0,1]=4 36 B9R1.1 O=CC1=CC=C(O)C=C1 HMDB0011718 [0,1,0,1,0,0|2,0,0]=4 37 B9R1.3 CC1=CC=CC(C)=C1N HMDB0060677 [0,1,0,1,0,0|2,0,0]=4 38 B9R1.3 OC1=CC=CC(O)=C1O HMDB0013674 [0,1,0,1,0,0|1,0,1]=4 39 B9R1.6 NC(=O)C1=CC=CN=C1 HMDB0001406 [0,1,0,1,0,0|1,0,1]=4 40 B9R1.6 NC(=O)C1=NC=CN=C1 HMDB0014483 [0,1,0,1,0,0|2,0,0]=4 41 B9R1.6 O=C(O)C1=CC=CC=C1 HMDB0001870 [0,1,0,1,0,0|0,0,1]=3 42 B9R1.6 O=C(O)C1=CC=CC=N1 HMDB0002243 [0,1,0,1,0,0|0,0,1]=3 43 B9R1.6 O=C(O)C1=CC=NC=C1 HMDB0060665 [0,1,0,1,0,0|0,0,1]=3 44 B9R1.6 O=C(O)C1=CN=CC=C1 HMDB0001488 [0,1,0,1,0,0|0,0,1]=3 45 B9R1.6 O=C(O)C1=CN=CC=N1 HMDB0059734 [0,1,0,1,0,0|1,0,0]=3 46 B9R1.35 CC1=CC=C(C(=O)O)O1 HMDB0059735 [0,1,0,1,0,0|0,0,0]=2 47 B9R1.69 CC1=CC(C)=C(C)C=C1 HMDB0013733 [0,1,0,1,0,0|2,0,0]=4 48 B9R1.69 CC1=CC=C(O)C(O)=C1 HMDB0000873 [0,1,0,1,0,0|1,0,0]=3 49 B9R1.69 OC1=C(Cl)C=CC(Cl)=C1 HMDB0041800 [0,1,0,1,0,0|2,0,0]=4