0 B9R0.13 CCCCC(CC)C(O)=O HMDB0031230 [0,0,0,0,0,0|2,0,0]=2 1 B9R0.13 CCCCC(CO)C(C)=O HMDB0036165 [0,0,0,0,0,0|0,0,0]=0 2 B8R0.8 CCC/C=C(\C)C(C)=O HMDB0031590 [1,0,0,0,0,0|0,0,2]=3 3 B8R0.8 CCCCC(=O)C(C)=O HMDB0031476 [1,0,0,0,0,0|0,0,2]=3 4 B8R0.8 CCCCC(=O)C(O)=O HMDB0001864 [1,0,0,0,0,0|1,0,2]=4 5 B8R0.8 CCCCC(C)C(O)=O HMDB0031594 [1,0,0,0,0,0|1,0,0]=2 6 B8R0.8 CCCCC(O)C(O)=O HMDB0001624 [1,0,0,0,0,0|1,0,0]=2 7 B8R0.8 CCCC[C@H](N)C(O)=O HMDB0001645 [1,0,0,0,0,0|2,0,0]=3 8 B8R0.8 CSCCC(O)C(O)=O HMDB0037115 [1,0,0,0,0,0|2,0,0]=3 9 B8R0.8 C[Se]CCC(N)C(O)=O HMDB0003966 [1,0,0,0,0,0|3,0,0]=4 10 B8R0.8 NC(CCCO)C(O)=O HMDB0031658 [1,0,0,0,0,0|3,0,0]=4 11 B8R0.8 NCCCC(N)C(O)=O HMDB0032455 [1,0,0,0,0,0|3,0,0]=4 12 B8R0.8 NCCC[C@@H](N)C(O)=O HMDB0003374 [1,0,0,0,0,0|3,0,0]=4 13 B8R0.8 NCCC[C@H](N)C(O)=O HMDB0000214 [1,0,0,0,0,0|3,0,0]=4 14 B8R0.11 CCCCC(CC)CO HMDB0031231 [1,0,0,0,0,0|0,0,1]=2 15 B10R0.84 CC(C)=CCC(CO)C(C)=C HMDB0036041 [0,1,0,0,0,0|1,0,2]=4 16 B10R0.86 CCCCCC(CC)C(O)=O HMDB0030331 [0,1,0,0,0,0|2,0,0]=3 17 B10R0.86 CCCCCC(CO)C(C)=O HMDB0037164 [0,1,0,0,0,0|0,0,0]=1 18 B10R0.88 CCCC(CCCO)C(O)=O HMDB0013898 [0,1,0,0,0,0|3,0,0]=4 19 B10R1.13 CC(=C)C1CCC(C)=CC1 HMDB0032473 [0,0,0,1,0,0|2,0,1]=4 20 B10R1.13 CC(=C)[C@H]1CCC(C)=CC1 HMDB0003375 [0,0,0,1,0,0|2,0,1]=4 21 B10R1.13 CC(C)C1CCC(C)CC1 HMDB0031455 [0,0,0,1,0,0|2,0,1]=4 22 B10R1.13 OC1CCC(CC1)C(O)=O HMDB0001988 [0,0,0,1,0,0|3,0,0]=4 23 B10R1.194 CC(C)C1CCC(C)C1C HMDB0035141 [0,0,0,1,0,0|2,0,1]=4 24 B10R0.87 CCCCC(CC)OC(C)=O HMDB0032309 [0,0,0,0,0,1|1,0,0]=2 25 B7R0.3 CCCCC(=O)CC HMDB0031482 [2,0,0,0,0,0|1,0,1]=4 26 B7R0.3 CCCCC(C)CC HMDB0031583 [2,0,0,0,0,0|0,0,1]=3 27 B7R0.4 CCC/C=C/C(C)=O HMDB0031486 [2,0,0,0,0,0|0,0,2]=4 28 B7R0.4 CCCCCC(C)=O HMDB0003671 [2,0,0,0,0,0|0,0,0]=2 29 B7R0.4 CCCCCC(C)O HMDB0033908 [2,0,0,0,0,0|0,0,2]=4 30 B7R0.4 CCCCCC(C)S HMDB0032303 [2,0,0,0,0,0|0,1,1]=4 31 B7R0.4 CCCCCC(O)=O HMDB0000535 [2,0,0,0,0,0|1,0,0]=3 32 B7R0.4 CCCCNC(C)=O HMDB0031651 [2,0,0,0,0,0|1,0,0]=3 33 B7R0.4 CCCCOC(C)=O HMDB0031325 [2,0,0,0,0,0|1,0,0]=3 34 B7R0.4 NCCCCC(N)=O HMDB0012176 [2,0,0,0,0,0|2,0,0]=4 35 B7R0.4 NCCCCC(O)=O HMDB0003355 [2,0,0,0,0,0|2,0,0]=4 36 B7R0.5 CCCC(=O)C(C)=O HMDB0031491 [2,0,0,0,0,0|0,0,2]=4 37 B7R0.5 CCCC(C)C(O)=O HMDB0031580 [2,0,0,0,0,0|1,0,0]=3 38 B7R0.5 CCCC(O)C(O)=O HMDB0001863 [2,0,0,0,0,0|1,0,0]=3 39 B7R0.5 CCC[C@@H](N)C(O)=O HMDB0013716 [2,0,0,0,0,0|2,0,0]=4 40 B7R0.5 OCCC(O)C(O)=O HMDB0000360 [2,0,0,0,0,0|2,0,0]=4 41 B7R0.15 CCC(CC)C(O)=O HMDB0031221 [2,0,0,0,0,0|2,0,0]=4 42 B7R0.15 CCC(CO)C(O)=O HMDB0000396 [2,0,0,0,0,0|1,0,0]=3 43 B9R0.47 CC(CSCCN)C(O)=O HMDB0002169 [1,1,0,0,0,0|2,0,0]=4 44 B9R0.47 CCCCCC(=O)C(C)=O HMDB0031293 [1,1,0,0,0,0|0,0,2]=4 45 B9R0.47 CCCCCC(C)C(O)=O HMDB0031587 [1,1,0,0,0,0|1,0,0]=3 46 B9R0.47 CCCCCC(O)C(C)=O HMDB0032335 [1,1,0,0,0,0|0,0,0]=2 47 B9R0.47 CSCCCC(N)C(O)=O HMDB0030406 [1,1,0,0,0,0|2,0,0]=4 48 B9R0.47 NCCCC[C@H](N)C(O)=O HMDB0003405 [1,1,0,0,0,0|2,0,0]=4 49 B9R0.40 CCCCC(CC=O)SC HMDB0032426 [1,1,0,0,0,0|1,0,1]=4 50 B9R0.15 CCCC(CC=C)C(O)=O HMDB0013897 [1,1,0,0,0,0|2,0,0]=4 51 B11R0.77 CCCCCC(OC(C)=O)C=C HMDB0032452 [0,1,0,0,0,1|1,0,1]=4 52 B11R0.143 CC(=O)OCC(CO)OC(C)=O HMDB0031712 [0,1,0,0,0,1|1,0,1]=4 53 B11R0.160 CC(=O)N[C@@H](CCCN)C(O)=O HMDB0003357 [0,1,0,0,0,1|1,0,1]=4 54 B11R0.160 CSCCC(NC(C)=O)C(O)=O HMDB0011745 [0,1,0,0,0,1|1,0,1]=4 55 B11R0.191 CCCCC(CC)C(=O)OCC HMDB0032264 [0,2,0,0,0,0|1,0,0]=3 56 B9R1.6 CC(=O)C1=NCCCC1 HMDB0030345 [1,0,0,1,0,0|1,0,1]=4 57 B9R1.6 OC(=O)C1CCCCC1 HMDB0031342 [1,0,0,1,0,0|1,0,0]=3 58 B9R1.6 OC(=O)C1CCCCN1 HMDB0000070 [1,0,0,1,0,0|2,0,0]=4 59 B9R1.6 OC(=O)[C@@H]1CCCCN1 HMDB0000716 [1,0,0,1,0,0|2,0,0]=4 60 B9R1.6 OC(=O)[C@H]1CCCCN1 HMDB0005960 [1,0,0,1,0,0|2,0,0]=4 61 B9R1.35 CC1CNC(C1)C(O)=O HMDB0029435 [1,0,0,1,0,0|2,0,0]=4 62 B9R1.41 O[C@H]1CCN[C@H]1C(O)=O HMDB0002113 [1,0,0,1,0,0|2,0,0]=4 63 B11R1.24 CCCCC1CCCC(=O)O1 HMDB0031514 [0,0,0,1,0,1|1,0,0]=3 64 B11R1.86 CN1CCCCC1CC(C)=O HMDB0030326 [0,0,0,1,0,1|2,0,0]=4 65 B11R1.166 CC(C)C1CCC(C)CC1O HMDB0035765 [0,1,0,1,0,0|1,0,1]=4 66 B11R1.166 CC(C)[C@@H]1CC[C@@H](C)CC1=O HMDB0035162 [0,1,0,1,0,0|1,0,0]=3 67 B11R1.166 CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1O HMDB0035763 [0,1,0,1,0,0|1,0,1]=4 68 B11R1.166 CC(C)[C@@H]1CC[C@H](C)CC1=O HMDB0034972 [0,1,0,1,0,0|1,0,0]=3 69 B11R1.166 CC(C)[C@@H]1CC[C@H](C)C[C@@H]1O HMDB0035764 [0,1,0,1,0,0|1,0,1]=4 70 B11R1.166 CC(C)[C@H]1CC[C@H](C)CC1=O HMDB0035783 [0,1,0,1,0,0|1,0,0]=3 71 B11R1.166 CC1CCC(C(C)=C)C(=O)C1 HMDB0035741 [0,1,0,1,0,0|1,0,1]=4 72 B11R1.166 CC1CCC(C(O)C1)C(C)=C HMDB0036077 [0,1,0,1,0,0|1,0,0]=3 73 B11R1.166 C[C@@H]1CC[C@H]([C@H](O)C1)C(C)=C HMDB0036078 [0,1,0,1,0,0|1,0,0]=3 74 B11R1.21 CC(C)C1CCC(C)C(O)C1 HMDB0037223 [0,1,0,1,0,0|1,0,1]=4 75 B11R1.21 CC1CCC(CC1=O)C(C)=C HMDB0036079 [0,1,0,1,0,0|1,0,1]=4 76 B11R1.21 C[C@@H]1CC[C@H](CC1O)C(C)=C HMDB0035825 [0,1,0,1,0,0|1,0,0]=3 77 B11R1.21 C[C@H]1CC[C@@H](CC1=O)C(C)=C HMDB0036080 [0,1,0,1,0,0|1,0,1]=4 78 B11R1.727 CC(=C)C1CCC(C)(O)CC1 HMDB0036996 [0,1,0,1,0,0|2,0,0]=4 79 B11R1.727 CC(=C)[C@H]1CC[C@@](C)(O)CC1 HMDB0037215 [0,1,0,1,0,0|2,0,0]=4 80 B11R1.727 CC(=C)[C@H]1CC[C@](C)(O)CC1 HMDB0037214 [0,1,0,1,0,0|2,0,0]=4 81 B11R1.3 CC(=C)C1CCC(CO)CC1 HMDB0037006 [0,1,0,1,0,0|2,0,0]=4 82 B11R1.180 CC/C=C/CC1CCCC1=O HMDB0032536 [0,1,0,1,0,0|1,0,1]=4 83 B11R1.64 CC1CCC(C1C=O)C(C)=C HMDB0038290 [0,1,0,1,0,0|1,0,1]=4 84 B11R1.1270 CC(=O)C1(O)OCC(O)C1O HMDB0029934 [0,1,0,1,0,0|2,0,0]=4 85 B11R0.164 CCCCC(CC)CCC(O)=O HMDB0036136 [0,0,0,0,0,2|2,0,0]=4