0 B13R1.42 CCOC(=O)CCC1=CC=CC=C1 HMDB0040411 [0,0,0,0,0,0|0,0,0]=0 1 B12R1.8 CCCCOCC1=CC=CC=C1 HMDB0031311 [1,0,0,0,0,0|2,0,1]=4 2 B12R1.8 OCCCCCC1=CC=CC=C1 HMDB0031624 [1,0,0,0,0,0|2,0,1]=4 3 B12R1.27 CCC(=O)OCC1=CC=CC=C1 HMDB0030063 [1,0,0,0,0,0|1,0,0]=2 4 B12R1.27 COC(=O)CCC1=CC=CC=C1 HMDB0030060 [1,0,0,0,0,0|0,0,0]=1 5 B14R1.156 C=CCOC(=O)COC1=CC=CC=C1 HMDB0031610 [0,1,0,0,0,0|1,0,1]=3 6 B14R1.756 C/C=C(\C)C(=O)OCC1=CC=CC=C1 HMDB0032177 [0,1,0,0,0,0|2,0,1]=4 7 B14R1.818 CC(C)CC(=O)OCC1=CC=CC=C1 HMDB0032043 [0,1,0,0,0,0|2,0,0]=3 8 B14R1.818 CC(CCC1=CC=CC=C1)OC(C)=O HMDB0031614 [0,1,0,0,0,0|1,0,2]=4 9 B14R2.112 CCOC1=CC2=C(C=CC=C2)C=C1 HMDB0029688 [0,0,0,1,0,0|1,0,2]=4 10 B12R1.32 CCCC(O)CC1=CC=CC=C1 HMDB0031625 [0,0,0,0,1,0|1,0,2]=4 11 B12R1.32 CCOC(=O)CC1=CC=CC=C1 HMDB0032618 [0,0,0,0,1,0|0,0,0]=1 12 B12R1.51 CCOC(=O)/C=C\C1=CC=CO1 HMDB0041611 [0,0,0,0,1,0|1,0,2]=4 13 B12R1.51 CCOC(=O)CCC1=CC=CO1 HMDB0032921 [0,0,0,0,1,0|1,0,0]=2 14 B14R1.520 CCCC(=O)OCCC1=CC=CC=C1 HMDB0035014 [0,0,0,0,0,1|1,0,0]=2 15 B14R1.520 CCOC(=O)CCCC1=CC=CC=C1 HMDB0031618 [0,0,0,0,0,1|0,0,0]=1 16 B11R0.4 CCOC(=O)CC/C=C/CC=C HMDB0031156 [1,0,1,0,0,0|0,0,1]=3 17 B11R1.91 CC(=O)/C=C/C1=CC=CC=C1 HMDB0031617 [2,0,0,0,0,0|0,0,2]=4 18 B11R1.91 CC(=O)OCC1=CC=CC=C1 HMDB0031310 [2,0,0,0,0,0|1,0,0]=3 19 B11R1.91 CC(O)CCC1=CC=CC=C1 HMDB0031613 [2,0,0,0,0,0|0,0,2]=4 20 B11R1.91 OC(=O)/C=C/C1=CC=CC=C1 HMDB0000930 [2,0,0,0,0,0|0,0,2]=4 21 B11R1.91 OC(=O)/C=C\C1=CC=CC=C1 HMDB0000567 [2,0,0,0,0,0|0,0,2]=4 22 B11R1.91 OC(=O)CCC1=CC=CC=C1 HMDB0000764 [2,0,0,0,0,0|0,0,0]=2 23 B11R1.91 OC(=O)COC1=CC=CC=C1 HMDB0031609 [2,0,0,0,0,0|1,0,0]=3 24 B13R1.337 CC(=O)/C=C/CCC1=CC=CC=C1 HMDB0031622 [1,1,0,0,0,0|1,0,1]=4 25 B13R1.254 CCC(C)(O)CCC1=CC=CC=C1 HMDB0031731 [1,1,0,0,0,0|0,0,2]=4 26 B13R1.351 CC(C)C(=O)OCC1=CC=CC=C1 HMDB0031250 [1,1,0,0,0,0|1,0,0]=3 27 B13R1.348 CC(C)CC(=O)CC1=CC=CC=C1 HMDB0031569 [0,1,0,0,1,0|1,0,0]=3 28 B15R1.89 CCCC(=O)OCC(C)C1=CC=CC=C1 HMDB0034469 [0,1,0,0,0,1|1,0,0]=3 29 B15R1.157 CCCCC(=O)OCCC1=CC=CC=C1 HMDB0035016 [0,1,0,0,0,1|1,0,0]=3 30 B15R1.809 CCCC(=O)OC(C)CC1=CC=CC=C1 HMDB0036391 [0,1,0,0,0,1|1,0,0]=3 31 B15R1.1321 C/C=C(/C)C(=O)OCCC1=CC=CC=C1 HMDB0037628 [0,1,0,0,0,1|1,0,1]=4 32 B15R1.9084 CC(C)CC(=O)OCCC1=CC=CC=C1 HMDB0035017 [0,1,0,0,0,1|1,0,0]=3 33 B15R1.640 CCOC(=O)C(CC)CC1=CC=CC=C1 HMDB0037194 [0,2,0,0,0,0|0,0,0]=2 34 B15R1.78 CCCCCC(=O)OCC1=CC=CC=C1 HMDB0032176 [0,2,0,0,0,0|2,0,0]=4 35 B15R1.5919 OC(=O)CNC(=O)CCC1=CC=CC=C1 HMDB0000860 [0,2,0,0,0,0|1,0,1]=4 36 B15R1.793 CCOC(=O)/C=C/C1=CC=C(OC)C=C1 HMDB0030762 [0,2,0,0,0,0|0,0,2]=4 37 B13R2.10 O=C1CCC(N1)C2=CN=CC=C2 HMDB0001297 [1,0,0,1,0,0|2,0,0]=4 38 B13R2.33 O=C1CCC2=CC=CC=C2OC1 HMDB0029714 [1,0,0,1,0,0|1,0,0]=3 39 B11R1.40 COC(=O)CC1=CC=CC=C1 HMDB0032617 [1,0,0,0,1,0|0,0,0]=2