0 B12R1.32 CCCC(=O)OC1=CC=CC=C1 HMDB0041612 [0,0,0,0,0,0|0,0,0]=0 1 B12R1.32 CCCC(O)CC1=CC=CC=C1 HMDB0031625 [0,0,0,0,0,0|1,0,2]=3 2 B12R1.32 CCOC(=O)CC1=CC=CC=C1 HMDB0032618 [0,0,0,0,0,0|2,0,0]=2 3 B11R1.28 CCCCCC1=CN=CC=C1 HMDB0034886 [1,0,0,0,0,0|2,0,1]=4 4 B11R1.28 CCCCCC1=NC=CC=C1 HMDB0034893 [1,0,0,0,0,0|2,0,1]=4 5 B11R1.40 COC(=O)CC1=CC=CC=C1 HMDB0032617 [1,0,0,0,0,0|2,0,0]=3 6 B13R1.19 CCOC(=S)NC1=CC=C(O)C=C1 HMDB0033179 [0,1,0,0,0,0|2,1,0]=4 7 B13R1.44 C=CCOC(=O)CC1=CC=CC=C1 HMDB0036905 [0,1,0,0,0,0|1,0,2]=4 8 B13R1.44 CCCOC(=O)CC1=CC=CC=C1 HMDB0040425 [0,1,0,0,0,0|1,0,0]=2 9 B13R1.79 CSC/C(C=O)=C/C1=CC=CC=C1 HMDB0037166 [0,1,0,0,0,0|2,0,0]=3 10 B13R1.348 CC(C)CC(=O)CC1=CC=CC=C1 HMDB0031569 [0,1,0,0,0,0|1,0,0]=2 11 B13R1.348 CC(C)CC(O)CC1=CC=CC=C1 HMDB0031568 [0,1,0,0,0,0|1,0,2]=4 12 B13R1.348 CC(C)OC(=O)CC1=CC=CC=C1 HMDB0040426 [0,1,0,0,0,0|2,0,0]=3 13 B11R0.4 CCCC(=O)OC/C=C/C=C/C HMDB0032312 [0,0,1,0,0,0|0,0,2]=3 14 B11R1.16 CCOC(=O)C1=CC=CC=C1 HMDB0033967 [0,0,0,0,1,0|1,0,0]=2 15 B13R1.42 CCCC(=O)OCC1=CC=CC=C1 HMDB0033376 [0,0,0,0,0,1|0,0,0]=1 16 B13R1.42 CCOC(=O)/C=C\C1=CC=CC=C1 HMDB0033834 [0,0,0,0,0,1|2,0,0]=3 17 B13R1.42 CCOC(=O)CCC1=CC=CC=C1 HMDB0040411 [0,0,0,0,0,1|2,0,0]=3 18 B10R0.71 CCCCC/C=C\C=C\C=C HMDB0030944 [1,0,1,0,0,0|1,0,1]=4 19 B10R0.74 CCC(=O)OC/C=C/C=C/C HMDB0032314 [1,0,1,0,0,0|0,0,2]=4 20 B10R1.17 CCCCC1=CN=CC=C1 HMDB0032934 [2,0,0,0,0,0|1,0,1]=4 21 B10R1.17 CCOCC1=CC=CC=C1 HMDB0031312 [2,0,0,0,0,0|1,0,1]=4 22 B10R1.17 COCCC1=CC=CC=C1 HMDB0032621 [2,0,0,0,0,0|1,0,1]=4 23 B10R1.17 OC/C=C/C1=CC=CC=C1 HMDB0029698 [2,0,0,0,0,0|1,0,1]=4 24 B10R1.17 OCC=CC1=CC=CC=C1 HMDB0029697 [2,0,0,0,0,0|1,0,1]=4 25 B10R1.17 OCCCC1=CC=CC=C1 HMDB0033962 [2,0,0,0,0,0|1,0,1]=4 26 B10R1.17 OCCOC1=CC=CC=C1 HMDB0041607 [2,0,0,0,0,0|1,0,0]=3 27 B10R1.18 CC(=O)OC1=CC=CC=C1 HMDB0040733 [2,0,0,0,0,0|0,0,0]=2 28 B12R1.8 CCCCOCC1=CC=CC=C1 HMDB0031311 [1,1,0,0,0,0|0,0,1]=3 29 B12R1.8 OCCCCCC1=CC=CC=C1 HMDB0031624 [1,1,0,0,0,0|1,0,1]=4 30 B12R1.30 CCCCC(=O)C1=CC=CC=C1 HMDB0031208 [1,1,0,0,0,0|1,0,1]=4 31 B12R1.30 CCCOC(=O)C1=CC=CC=C1 HMDB0031761 [1,1,0,0,0,0|2,0,0]=4 32 B12R1.16 CCOC(=O)C1=CC=C(O)C=C1 HMDB0032573 [0,1,0,0,1,0|1,0,0]=3 33 B12R1.16 OCCC(=O)C1=CC=C(O)C=C1 HMDB0040645 [0,1,0,0,1,0|1,0,0]=3 34 B12R1.107 CC(C)OC(=O)C1=CC=CC=C1 HMDB0032038 [0,1,0,0,1,0|1,0,0]=3 35 B12R1.308 CCOC(=O)C1=C(O)C=CC=C1 HMDB0029817 [0,1,0,0,1,0|1,0,0]=3 36 B12R1.308 CCOC(=O)C1=CC=CC=C1N HMDB0033589 [0,1,0,0,1,0|1,0,0]=3 37 B14R1.29 CCCC(=O)OC(C)C1=CC=CC=C1 HMDB0037717 [0,1,0,0,0,1|0,0,0]=2 38 B14R1.29 CCOC(=O)CC(=O)C1=CC=CC=C1 HMDB0040268 [0,1,0,0,0,1|2,0,0]=4 39 B14R1.156 C=CCOC(=O)COC1=CC=CC=C1 HMDB0031610 [0,1,0,0,0,1|0,0,2]=4 40 B14R1.156 CCCOC(=O)/C=C\C1=CC=CC=C1 HMDB0037700 [0,1,0,0,0,1|1,0,0]=3 41 B14R1.502 CCOC(=O)COC1=CC=C(C)C=C1 HMDB0034206 [0,1,0,0,0,1|1,0,0]=3 42 B14R1.756 C/C=C(/C)C(=O)OCC1=CC=CC=C1 HMDB0037627 [0,1,0,0,0,1|0,0,2]=4 43 B14R1.756 C/C=C(\C)C(=O)OCC1=CC=CC=C1 HMDB0032177 [0,1,0,0,0,1|0,0,2]=4 44 B14R1.818 CC(=O)CC(=O)OCC1=CC=CC=C1 HMDB0040446 [0,1,0,0,0,1|0,0,1]=3 45 B14R1.818 CC(C)CC(=O)OCC1=CC=CC=C1 HMDB0032043 [0,1,0,0,0,1|0,0,0]=2 46 B14R1.818 CC(C)OC(=O)/C=C\C1=CC=CC=C1 HMDB0037701 [0,1,0,0,0,1|2,0,0]=4 47 B14R1.698 CC(C)CC(=O)OC1=CC=C(C)C=C1 HMDB0037709 [0,2,0,0,0,0|0,0,0]=2 48 B14R1.158 CCCCOC(=O)CC1=CC=CC=C1 HMDB0040427 [0,2,0,0,0,0|1,0,0]=3 49 B14R1.423 CC(C)COC(=O)CC1=CC=CC=C1 HMDB0035010 [0,2,0,0,0,0|1,0,0]=3 50 B14R1.467 CCCC/C(C=O)=C/C1=CC=CC=C1 HMDB0037292 [0,2,0,0,0,0|1,0,0]=3 51 B14R1.532 CCN(CC)C(=O)CC1=CC=CC=C1 HMDB0032635 [0,2,0,0,0,0|2,0,0]=4 52 B12R1.51 CCCC(=O)OCC1=CC=CO1 HMDB0037729 [0,0,1,1,0,0|1,0,1]=4 53 B12R2.18 CC1=C(C)C2=CC=CC=C2O1 HMDB0033176 [1,0,0,1,0,0|1,0,1]=4 54 B12R2.24 O=C1CCC2=CC=CC=C2O1 HMDB0036626 [1,0,0,1,0,0|0,0,0]=2 55 B12R2.24 O=C1COC2=CC=CC=C2O1 HMDB0040528 [1,0,0,1,0,0|1,0,0]=3 56 B12R2.32 CCC1=NC2=CC=CC=C2S1 HMDB0040034 [1,0,0,1,0,0|1,1,0]=4 57 B14R2.67 CCCCC1=NC2=CC=CC=C2N1 HMDB0033755 [0,1,0,1,0,0|2,0,0]=4 58 B14R2.67 CCCCC1=NC2=CC=CC=C2S1 HMDB0040031 [0,1,0,1,0,0|1,1,0]=4 59 B10R1.21 CCC/C=C/C1=CC=CO1 HMDB0039782 [1,0,0,0,1,0|2,0,0]=4 60 B10R1.15 CCC(=O)C1=CC=CC=C1 HMDB0032623 [1,0,0,0,1,0|0,0,0]=2 61 B10R1.15 CCC(O)C1=CC=CC=C1 HMDB0031627 [1,0,0,0,1,0|0,0,2]=4 62 B10R1.15 COC(=O)C1=CC=CC=C1 HMDB0033968 [1,0,0,0,1,0|1,0,0]=3 63 B10R1.15 COC(=O)C1=CN=CC=C1 HMDB0029806 [1,0,0,0,1,0|2,0,0]=4 64 B10R1.15 CSC(=O)C1=CC=CC=C1 HMDB0029694 [1,0,0,0,1,0|1,0,0]=3 65 B10R1.15 NCC(=O)C1=CC=CC=C1 HMDB0032628 [1,0,0,0,1,0|1,0,0]=3 66 B10R1.11 CCCC(=O)C1=CC=CO1 HMDB0039802 [0,0,0,0,2,0|1,0,0]=3 67 B10R1.11 CCCC(=O)C1=CC=CS1 HMDB0032935 [0,0,0,0,2,0|1,0,0]=3 68 B14R1.520 CCCC(=O)OCCC1=CC=CC=C1 HMDB0035014 [0,0,0,0,0,2|0,0,0]=2 69 B14R1.520 CCOC(=O)CCCC1=CC=CC=C1 HMDB0031618 [0,0,0,0,0,2|2,0,0]=4