0 B12R1.43 CC(=O)C(/C)=C\C1=CC=CC=C1 HMDB0031567 [0,0,0,0,0,0|0,0,0]=0 1 B12R1.43 CC(=O)C(O)CC1=CC=CC=C1 HMDB0032336 [0,0,0,0,0,0|1,0,2]=3 2 B12R1.43 OC(=O)C(/O)=C/C1=CC=CC=C1 HMDB0012225 [0,0,0,0,0,0|2,0,0]=2 3 B12R1.43 OC(=O)C(=O)CC1=CC=CC=C1 HMDB0000205 [0,0,0,0,0,0|2,0,1]=3 4 B12R1.43 OC(CC1=CC=CC=C1)C(O)=O HMDB0000779 [0,0,0,0,0,0|2,0,2]=4 5 B12R1.43 O[C@H](CC1=CC=CC=C1)C(O)=O HMDB0000748 [0,0,0,0,0,0|2,0,2]=4 6 B12R1.43 [C@H](O)(CC1=CC=CC=C1)C(O)=O HMDB0000563 [0,0,0,0,0,0|2,0,2]=4 7 B11R1.40 C/C(C=O)=C/C1=CC=CC=C1 HMDB0031566 [1,0,0,0,0,0|0,0,0]=1 8 B11R1.40 COC(=O)CC1=CC=CC=C1 HMDB0032617 [1,0,0,0,0,0|2,0,1]=4 9 B11R1.91 CC(=O)/C=C/C1=CC=CC=C1 HMDB0031617 [1,0,0,0,0,0|0,0,0]=1 10 B11R1.91 CC(=O)OCC1=CC=CC=C1 HMDB0031310 [1,0,0,0,0,0|1,0,1]=3 11 B11R1.91 CC(O)/C=C\C1=CC=CC=C1 HMDB0031616 [1,0,0,0,0,0|0,0,2]=3 12 B11R1.91 OC(=O)/C=C/C1=CC=CC=C1 HMDB0000930 [1,0,0,0,0,0|1,0,0]=2 13 B11R1.91 OC(=O)/C=C\C1=CC=CC=C1 HMDB0000567 [1,0,0,0,0,0|1,0,0]=2 14 B11R1.91 OC(=O)CCC1=CC=CC=C1 HMDB0000764 [1,0,0,0,0,0|1,0,2]=4 15 B11R1.91 OC(=O)COC1=CC=CC=C1 HMDB0031609 [1,0,0,0,0,0|2,0,1]=4 16 B13R1.133 OC(=O)C(/O)=C/C1=CC=C(O)C=C1 HMDB0006915 [0,1,0,0,0,0|2,0,0]=3 17 B13R1.133 OC(=O)C(=O)CC1=CC=C(O)C=C1 HMDB0000707 [0,1,0,0,0,0|2,0,1]=4 18 B13R1.148 OC(=O)C(=O)CC1=CC(O)=CC=C1 HMDB0011663 [0,1,0,0,0,0|2,0,1]=4 19 B13R2.369 OC1=CC2=CC=CC=C2OC1=O HMDB0002149 [0,0,0,1,0,0|2,0,0]=3 20 B13R2.435 OC(=O)C1=CC2=C(N1)C=CC=C2 HMDB0002285 [0,0,0,1,0,0|2,0,0]=3 21 B11R1.36 CC(C(O)=O)C1=CC=CC=C1 HMDB0011743 [0,0,0,0,1,0|1,0,1]=3 22 B11R1.36 CC(N(C)C)C1=CC=CC=C1 HMDB0032243 [0,0,0,0,1,0|2,0,1]=4 23 B11R1.36 NC(C(O)=O)C1=CC=CC=C1 HMDB0002210 [0,0,0,0,1,0|2,0,1]=4 24 B11R1.36 OC(=O)C(=O)C1=CC=CC=C1 HMDB0001587 [0,0,0,0,1,0|2,0,0]=3 25 B11R1.36 O[C@H](C(O)=O)C1=CC=CC=C1 HMDB0000703 [0,0,0,0,1,0|2,0,1]=4 26 B10R1.17 O=C/C=C\C1=CC=CC=C1 HMDB0032072 [2,0,0,0,0,0|0,0,0]=2 27 B10R1.17 OC/C=C/C1=CC=CC=C1 HMDB0029698 [2,0,0,0,0,0|0,0,2]=4 28 B10R1.17 OCC=CC1=CC=CC=C1 HMDB0029697 [2,0,0,0,0,0|0,0,2]=4 29 B10R1.18 CC(=O)NC1=CC=CC=C1 HMDB0001250 [2,0,0,0,0,0|1,0,0]=3 30 B10R1.18 NC(=O)CC1=CC=CC=C1 HMDB0010715 [2,0,0,0,0,0|1,0,1]=4 31 B10R1.18 OC(=O)CC1=CC=CC=C1 HMDB0000209 [2,0,0,0,0,0|1,0,1]=4 32 B12R1.49 CC(CC1=CC=C(C)C=C1)C=O HMDB0031856 [1,1,0,0,0,0|0,0,2]=4 33 B12R1.21 OC(=O)/C=C/C1=CC=C(O)C=C1 HMDB0002035 [1,1,0,0,0,0|1,0,0]=3 34 B12R1.21 OC(=O)/C=C\C1=CC=C(O)C=C1 HMDB0030677 [1,1,0,0,0,0|1,0,0]=3 35 B12R1.27 CCC(=O)OCC1=CC=CC=C1 HMDB0030063 [1,1,0,0,0,0|1,0,1]=4 36 B12R1.27 COC(=O)CCC1=CC=CC=C1 HMDB0030060 [1,1,0,0,0,0|0,0,2]=4 37 B12R1.107 CC(OC(C)=O)C1=CC=CC=C1 HMDB0032620 [1,1,0,0,0,0|1,0,1]=4 38 B12R1.125 OC(=O)/C=C/C1=CC=CC=C1O HMDB0002641 [1,1,0,0,0,0|1,0,0]=3 39 B12R1.226 OC(=O)/C=C/C1=CC=CC(O)=C1 HMDB0001713 [1,1,0,0,0,0|1,0,0]=3 40 B12R1.478 CCC(C(O)=O)C1=CC=CC=C1 HMDB0000329 [0,1,0,0,1,0|1,0,1]=4 41 B14R1.1485 CC(=O)OC(C)(C)CC1=CC=CC=C1 HMDB0031571 [0,1,0,0,0,1|0,0,2]=4 42 B12R2.24 OC1=CC2=CC=CC=C2C=C1 HMDB0012322 [1,0,0,1,0,0|1,0,1]=4 43 B12R2.24 SC1=CC2=C(C=CC=C2)C=C1 HMDB0029689 [1,0,0,1,0,0|1,0,1]=4 44 B14R2.781 CC(=O)C1=CC2=CC=CC=C2C=C1 HMDB0032412 [0,0,0,1,0,1|0,0,1]=3 45 B14R2.781 OC(=O)C1=NC2=C(C=CC=C2)C=C1 HMDB0000842 [0,0,0,1,0,1|2,0,0]=4 46 B10R1.15 CC(C=O)C1=CC=CC=C1 HMDB0031626 [1,0,0,0,1,0|0,0,1]=3 47 B10R1.15 CCC(=O)C1=CC=CC=C1 HMDB0032623 [1,0,0,0,1,0|1,0,1]=4 48 B10R1.15 CSC(=O)C1=CC=CC=C1 HMDB0029694 [1,0,0,0,1,0|2,0,0]=4 49 B12R1.252 OC(=O)C/C=C/C1=CN=CC=C1 HMDB0001424 [1,0,0,0,0,1|2,0,0]=4 50 B14R1.818 CC(CCC1=CC=CC=C1)OC(C)=O HMDB0031614 [0,0,0,0,0,2|0,0,2]=4