0 B12R1.107 CC(C)OC(=O)C1=CC=CC=C1 HMDB0032038 [0,0,0,0,0,0|2,0,2]=4 1 B12R1.107 CC(OC(C)=O)C1=CC=CC=C1 HMDB0032620 [0,0,0,0,0,0|0,0,0]=0 2 B11R1.16 CC(OC=O)C1=CC=CC=C1 HMDB0037715 [1,0,0,0,0,0|0,0,0]=1 3 B11R1.16 CCOC(=O)C1=CC=CC=C1 HMDB0033967 [1,0,0,0,0,0|1,0,2]=4 4 B11R1.91 CC(=O)/C=C/C1=CC=CC=C1 HMDB0031617 [1,0,0,0,0,0|1,0,1]=3 5 B11R1.91 CC(=O)OCC1=CC=CC=C1 HMDB0031310 [1,0,0,0,0,0|0,0,0]=1 6 B11R1.91 CC(O)CCC1=CC=CC=C1 HMDB0031613 [1,0,0,0,0,0|1,0,2]=4 7 B11R1.91 OC(=O)COC1=CC=CC=C1 HMDB0031609 [1,0,0,0,0,0|3,0,0]=4 8 B13R1.11 CCC(=O)OC(C)C1=CC=CC=C1 HMDB0040287 [0,1,0,0,0,0|0,0,0]=1 9 B13R1.132 CC(CC(C)=O)C1=CC=C(C)C=C1 HMDB0034177 [0,1,0,0,0,0|1,0,0]=2 10 B13R2.10 CC1COC(O1)C2=CC=CC=C2 HMDB0037160 [0,0,0,1,0,0|2,0,1]=4 11 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 HMDB0035243 [0,0,0,0,1,0|1,0,1]=3 12 B11R1.36 CC(N(C)C)C1=CC=CC=C1 HMDB0032243 [0,0,0,0,1,0|2,0,0]=3 13 B10R1.15 CC(C=O)C1=CC=CC=C1 HMDB0031626 [2,0,0,0,0,0|0,0,0]=2 14 B10R1.15 CC(CO)C1=CC=CC=C1 HMDB0031628 [2,0,0,0,0,0|0,0,2]=4 15 B10R1.15 CCC(O)C1=CC=CC=C1 HMDB0031627 [2,0,0,0,0,0|1,0,1]=4 16 B10R1.15 COC(=O)C1=CC=CC=C1 HMDB0033968 [2,0,0,0,0,0|1,0,1]=4 17 B10R1.17 CCOCC1=CC=CC=C1 HMDB0031312 [2,0,0,0,0,0|0,0,1]=3 18 B10R1.17 COCCC1=CC=CC=C1 HMDB0032621 [2,0,0,0,0,0|2,0,0]=4 19 B10R1.17 CSSCC1=CC=CC=C1 HMDB0040590 [2,0,0,0,0,0|1,1,0]=4 20 B10R1.17 O=C/C=C\C1=CC=CC=C1 HMDB0032072 [2,0,0,0,0,0|1,0,1]=4 21 B10R1.17 O=CCCC1=CC=CC=C1 HMDB0033716 [2,0,0,0,0,0|1,0,0]=3 22 B10R1.17 O=COCC1=CC=CC=C1 HMDB0041485 [2,0,0,0,0,0|0,0,0]=2 23 B12R1.3 C=CC(CC=O)C1=CC=CC=C1 HMDB0038790 [1,1,0,0,0,0|1,0,1]=4 24 B12R1.21 CC(=O)CCC1=CC=C(C)C=C1 HMDB0036183 [1,1,0,0,0,0|1,0,0]=3 25 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 HMDB0033723 [1,1,0,0,0,0|1,0,0]=3 26 B12R1.21 CC(=O)OCC1=CC=C(C)C=C1 HMDB0040460 [1,1,0,0,0,0|0,0,0]=2 27 B12R1.27 CC(CCC1=CC=CC=C1)C=O HMDB0032415 [1,1,0,0,0,0|1,0,1]=4 28 B12R1.27 CCC(=O)OCC1=CC=CC=C1 HMDB0030063 [1,1,0,0,0,0|0,0,0]=2 29 B12R1.27 COC(=O)/C=C\C1=CC=CC=C1 HMDB0033833 [1,1,0,0,0,0|1,0,1]=4 30 B12R1.27 COC(=O)CCC1=CC=CC=C1 HMDB0030060 [1,1,0,0,0,0|1,0,0]=3 31 B12R1.27 NCC(=O)OCC1=CC=CC=C1 HMDB0033374 [1,1,0,0,0,0|0,0,0]=2 32 B12R1.43 CC(=O)C(/C)=C\C1=CC=CC=C1 HMDB0031567 [1,1,0,0,0,0|1,0,1]=4 33 B12R1.43 CC(=O)C(O)CC1=CC=CC=C1 HMDB0032336 [1,1,0,0,0,0|1,0,0]=3 34 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(O)=O HMDB0000159 [1,1,0,0,0,0|2,0,0]=4 35 B12R1.125 CC(=O)OCC1=CC=CC=C1C HMDB0041472 [1,1,0,0,0,0|0,0,0]=2 36 B12R1.125 OC(=O)CCC1=CC=CC=C1O HMDB0033752 [1,1,0,0,0,0|2,0,0]=4 37 B12R1.226 CC(=O)OCC1=CC=CC(C)=C1 HMDB0041473 [1,1,0,0,0,0|0,0,0]=2 38 B12R1.891 OS(=O)(=O)OCC1=CC=CC=C1 HMDB0034782 [1,1,0,0,0,0|2,0,0]=4 39 B12R1.20 CC(C(O)=O)C1=CC=C(O)C=C1 HMDB0041683 [0,1,0,0,1,0|1,0,0]=3 40 B14R1.415 CC(C)C(=O)OC(C)C1=CC=CC=C1 HMDB0037716 [0,1,0,0,0,1|1,0,1]=4 41 B14R1.678 CC(CCC(O)=O)C1=CC=C(C)C=C1 HMDB0039643 [0,1,0,0,0,1|2,0,0]=4 42 B14R1.1485 CC(=O)OC(C)(C)CC1=CC=CC=C1 HMDB0031571 [0,1,0,0,0,1|0,0,0]=2 43 B14R1.29 CCCC(=O)OC(C)C1=CC=CC=C1 HMDB0037717 [0,2,0,0,0,0|0,0,0]=2 44 B12R2.24 O=C1CCC2=CC=CC=C2O1 HMDB0036626 [1,0,0,1,0,0|2,0,0]=4 45 B12R2.18 CC1=C(C)C2=CC=CC=C2O1 HMDB0033176 [0,0,0,1,1,0|0,0,2]=4 46 B14R2.2950 CC1CC(C)(CO1)C2=CC=CC=C2 HMDB0036021 [0,0,0,1,0,1|1,0,1]=4 47 B10R1.18 CC(=O)OC1=CC=CC=C1 HMDB0040733 [1,0,0,0,1,0|0,0,0]=2 48 B10R1.66 CC(=O)CCC1=CC=CO1 HMDB0032290 [1,0,0,0,1,0|2,0,0]=4 49 B10R1.66 CC(=O)OCC1=CC=CO1 HMDB0034246 [1,0,0,0,1,0|1,0,0]=3 50 B10R1.66 CC(=O)SCC1=CC=CO1 HMDB0035088 [1,0,0,0,1,0|1,1,0]=4 51 B12R1.252 CC(=O)OCCC1=CC=CC=C1 HMDB0033945 [1,0,0,0,0,1|0,0,0]=2 52 B14R1.818 CC(CCC1=CC=CC=C1)OC(C)=O HMDB0031614 [0,0,0,0,0,2|0,0,0]=2