0 B12R1.28 CCCCCC1=CC=CC(=O)O1 HMDB0031085 [0,0,0,0,0,0|0,0,4]=4 1 B12R1.28 CCCCCC1CCOC(C)O1 HMDB0032155 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.24 CCCCC1CCCC(=O)O1 HMDB0031514 [1,0,0,0,0,0|0,0,0]=1 3 B11R0.4 CCC/C=C/COC(=O)CCC HMDB0034581 [0,0,1,0,0,0|0,0,2]=3 4 B11R0.4 CCCC(=O)OCC/C=C\CC HMDB0033377 [0,0,1,0,0,0|0,0,2]=3 5 B11R0.4 CCCCC/C=C\C(=O)OCC HMDB0037497 [0,0,1,0,0,0|2,0,1]=4 6 B11R0.4 CCCCCC/C=C(/C)CCO HMDB0031064 [0,0,1,0,0,0|3,0,0]=4 7 B11R0.4 CCCCCCCC(=O)OCC HMDB0040195 [0,0,1,0,0,0|2,0,0]=3 8 B11R0.4 CCCCCCOC(=O)/C=C\C HMDB0036211 [0,0,1,0,0,0|0,0,2]=3 9 B11R0.4 CCCCCCOC(=O)CCC HMDB0033620 [0,0,1,0,0,0|0,0,0]=1 10 B11R0.77 CCCCCC(OC(C)=O)C=C HMDB0032452 [0,0,1,0,0,0|0,0,2]=3 11 B11R0.148 CCCC/C=C/CCCC(O)=O HMDB0039768 [0,0,1,0,0,0|0,0,2]=3 12 B11R0.148 CCCCC/C=C\CCC(O)=O HMDB0004980 [0,0,1,0,0,0|0,0,2]=3 13 B11R0.148 CCCCCC/C=C\CC(O)=O HMDB0031002 [0,0,1,0,0,0|0,0,2]=3 14 B11R0.148 CCCCCCC/C=C/C(O)=O HMDB0010726 [0,0,1,0,0,0|0,0,2]=3 15 B11R0.148 CCCCCCCCCC(C)O HMDB0030942 [0,0,1,0,0,0|1,0,1]=3 16 B11R0.148 CCCCCCCCCC(O)=O HMDB0000511 [0,0,1,0,0,0|0,0,0]=1 17 B11R0.148 CCCCCCCCOC(C)=O HMDB0038602 [0,0,1,0,0,0|2,0,0]=3 18 B11R0.148 OC(=O)CCCCCCCC=C HMDB0031003 [0,0,1,0,0,0|0,0,2]=3 19 B11R1.27 CCCCCC1CCC(=O)O1 HMDB0031531 [0,0,0,0,1,0|0,0,0]=1 20 B11R1.27 CCCCCC1OC(=O)C=C1 HMDB0032442 [0,0,0,0,1,0|0,0,2]=3 21 B11R1.180 CC/C=C/CC1CCCC1=O HMDB0032536 [0,0,0,0,1,0|0,0,2]=3 22 B10R0.1 CCCC(=O)OCCCSC HMDB0032378 [1,0,1,0,0,0|1,0,0]=3 23 B10R0.1 CCCCCCC(=O)CCO HMDB0037143 [1,0,1,0,0,0|1,0,0]=3 24 B10R0.1 CCCCCCC(=O)OCC HMDB0000798 [1,0,1,0,0,0|1,0,0]=3 25 B10R0.1 CCCCCOC(=O)CCC HMDB0034162 [1,0,1,0,0,0|0,0,0]=2 26 B10R0.71 CCCCCC/C=C/CCC HMDB0031205 [1,0,1,0,0,0|1,0,0]=3 27 B10R0.71 CCCCCCC/C=C/C=O HMDB0030999 [1,0,1,0,0,0|0,0,2]=4 28 B10R0.71 CCCCCCCCCC=C HMDB0029551 [1,0,1,0,0,0|1,0,0]=3 29 B10R0.71 CCCCCCCCCC=O HMDB0011623 [1,0,1,0,0,0|0,0,0]=2 30 B10R0.71 CCCCCCCCCCC HMDB0031445 [1,0,1,0,0,0|1,0,1]=4 31 B10R0.71 CCCCCCCCCCO HMDB0011624 [1,0,1,0,0,0|0,0,1]=3 32 B10R0.71 OCCC=CCCCCCC HMDB0013810 [1,0,1,0,0,0|2,0,0]=4 33 B10R0.74 CCCCCCCC(=O)CC HMDB0032212 [1,0,1,0,0,0|1,0,0]=3 34 B10R0.74 CCCCCCCC(=O)OC HMDB0031291 [1,0,1,0,0,0|2,0,0]=4 35 B10R0.24 CCCCCC(CC)OC=O HMDB0032454 [1,0,1,0,0,0|0,0,0]=2 36 B10R0.87 CCCCC(CC)OC(C)=O HMDB0032309 [1,0,1,0,0,0|0,0,0]=2 37 B10R0.91 CCCCCC(O)/C=C/C=O HMDB0004362 [1,0,1,0,0,0|0,0,2]=4 38 B10R0.4 CCCCCC/C=C\C(O)=O HMDB0031271 [1,0,1,0,0,0|0,0,2]=4 39 B10R0.4 CCCCCCCCC(C)=O HMDB0031409 [1,0,1,0,0,0|1,0,0]=3 40 B10R0.4 CCCCCCCCC(O)=O HMDB0000847 [1,0,1,0,0,0|0,0,0]=2 41 B10R0.4 CCCCCCCOC(C)=O HMDB0031480 [1,0,1,0,0,0|2,0,0]=4 42 B10R0.4 NCCCNCCCC(O)=O HMDB0006009 [1,0,1,0,0,0|2,0,0]=4 43 B10R0.4 [NH3+]CCCCNCCC(O)=O HMDB0006078 [1,0,1,0,0,0|2,0,0]=4 44 B12R0.1 CCCCCC/C=C\C(=O)OCC HMDB0031272 [0,1,1,0,0,0|2,0,0]=4 45 B12R0.1 CCCCCCCCC(=O)OCC HMDB0040193 [0,1,1,0,0,0|2,0,0]=4 46 B12R0.1 CCCCCCCOC(=O)CCC HMDB0034460 [0,1,1,0,0,0|0,0,0]=2 47 B12R0.4 CC/C=C\CCOC(=O)CC(C)C HMDB0038278 [0,1,1,0,0,0|0,0,2]=4 48 B12R0.4 CCC/C=C/COC(=O)CC(C)C HMDB0038274 [0,1,1,0,0,0|0,0,2]=4 49 B12R0.4 CCCCCCOC(=O)CC(C)C HMDB0032044 [0,1,1,0,0,0|0,0,0]=2 50 B12R0.4 CCCCCCOC(=O)CC(C)S HMDB0032327 [0,1,1,0,0,0|0,0,0]=2 51 B12R0.49 CC/C=C\CCOC(=O)C(C)CC HMDB0038277 [0,1,1,0,0,0|0,0,2]=4 52 B12R0.49 CCC/C=C/COC(=O)C(C)CC HMDB0032534 [0,1,1,0,0,0|0,0,2]=4 53 B12R0.49 CCC=CCCOC(=O)C(C)CC HMDB0032320 [0,1,1,0,0,0|0,0,2]=4 54 B12R0.49 CCCCCCOC(=O)C(C)CC HMDB0039215 [0,1,1,0,0,0|0,0,0]=2 55 B12R0.206 CCCCC(=O)OC/C=C/CCC HMDB0038273 [0,1,1,0,0,0|0,0,2]=4 56 B12R0.206 CCCCC(=O)OCC/C=C\CC HMDB0031691 [0,1,1,0,0,0|0,0,2]=4 57 B12R0.239 CCCCCC(O)CC(=O)OCC HMDB0041600 [0,1,1,0,0,0|2,0,0]=4 58 B12R0.285 CCCC(S)CCOC(=O)CCC HMDB0038948 [0,1,1,0,0,0|0,0,0]=2 59 B12R0.184 CCC(C)CCCCCCC(O)=O HMDB0038237 [0,1,1,0,0,0|0,0,0]=2 60 B12R0.234 CCCCCCCCCCC(C)=O HMDB0031019 [0,1,1,0,0,0|1,0,0]=3 61 B12R0.234 CCCCCCCCCCC(O)=O HMDB0000947 [0,1,1,0,0,0|0,0,0]=2 62 B12R0.234 CCCCCCCCCOC(C)=O HMDB0040266 [0,1,1,0,0,0|1,0,0]=3 63 B12R0.234 OC(=O)CCCCCCCCC=C HMDB0033724 [0,1,1,0,0,0|0,0,1]=3 64 B12R0.248 CCCCCCC/C=C/C(=O)OC HMDB0032396 [0,1,1,0,0,0|0,0,2]=4 65 B12R0.248 CCCCCCCCCC(=O)OC HMDB0033848 [0,1,1,0,0,0|0,0,0]=2 66 B12R0.248 CCCCCCCCCC(C)C=O HMDB0031734 [0,1,1,0,0,0|1,0,1]=4 67 B12R0.248 CCCCCCCCOC(=O)CC HMDB0034134 [0,1,1,0,0,0|2,0,0]=4 68 B12R0.251 CCCCCCCCC(=O)C(C)=O HMDB0031843 [0,1,1,0,0,0|1,0,1]=4 69 B12R0.255 CCCCCCC(=O)NCC(O)=O HMDB0013010 [0,1,1,0,0,0|1,0,1]=4 70 B12R0.268 CC(C)CCCCCCCC(O)=O HMDB0034456 [0,1,1,0,0,0|0,0,0]=2 71 B12R0.268 OC(=O)CCCCCCCC(O)=O HMDB0000784 [0,1,1,0,0,0|1,0,1]=4 72 B12R1.372 CCCCC/C=C1/CCCC1=O HMDB0031728 [0,1,0,0,1,0|0,0,1]=3 73 B12R1.567 CCCCCC1=C(C)CCC1=O HMDB0031565 [0,1,0,0,1,0|0,0,2]=4 74 B12R1.51 CCCC(=O)OCC1CCCO1 HMDB0036188 [0,0,1,1,0,0|1,0,0]=3 75 B12R1.1410 CCCCCC1OC1/C=C/C=O HMDB0013105 [0,0,1,1,0,0|0,0,2]=4 76 B12R1.255 OC(=O)CCCC[C@@H]1CCSS1 HMDB0001451 [0,0,1,1,0,0|2,0,0]=4 77 B10R0.86 CCCCCC(CC)C(O)=O HMDB0030331 [0,0,1,0,1,0|1,0,0]=3 78 B10R0.86 CCCCCC(CO)C(C)=O HMDB0037164 [0,0,1,0,1,0|1,0,0]=3