0 B12R1.43 CC(=O)C(/C)=C\C1=CC=CC=C1 HMDB0031567 [0,0,0,0,0,0|2,0,1]=3 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|0,0,2]=2 3 B12R1.43 OC(=O)C(=O)CC1=CC=CC=C1 HMDB0000205 [0,0,0,0,0,0|0,0,0]=0 4 B12R1.43 OC(CC1=CC=CC=C1)C(O)=O HMDB0000779 [0,0,0,0,0,0|0,0,2]=2 5 B12R1.43 O[C@H](CC1=CC=CC=C1)C(O)=O HMDB0000748 [0,0,0,0,0,0|0,0,2]=2 6 B12R1.43 [C@H](O)(CC1=CC=CC=C1)C(O)=O HMDB0000563 [0,0,0,0,0,0|0,0,2]=2 7 B11R1.40 C/C(C=O)=C/C1=CC=CC=C1 HMDB0031566 [1,0,0,0,0,0|1,0,1]=3 8 B11R1.40 COC(=O)CC1=CC=CC=C1 HMDB0032617 [1,0,0,0,0,0|2,0,0]=3 9 B11R1.91 CC(=O)/C=C/C1=CC=CC=C1 HMDB0031617 [1,0,0,0,0,0|1,0,1]=3 10 B11R1.91 CC(=O)OCC1=CC=CC=C1 HMDB0031310 [1,0,0,0,0,0|2,0,0]=3 11 B11R1.91 CC(O)/C=C\C1=CC=CC=C1 HMDB0031616 [1,0,0,0,0,0|1,0,2]=4 12 B11R1.91 CC(O)CCC1=CC=CC=C1 HMDB0031613 [1,0,0,0,0,0|1,0,2]=4 13 B11R1.91 OC(=O)/C=C/C1=CC=CC=C1 HMDB0000930 [1,0,0,0,0,0|0,0,1]=2 14 B11R1.91 OC(=O)/C=C\C1=CC=CC=C1 HMDB0000567 [1,0,0,0,0,0|0,0,1]=2 15 B11R1.91 OC(=O)CCC1=CC=CC=C1 HMDB0000764 [1,0,0,0,0,0|0,0,1]=2 16 B11R1.91 OC(=O)COC1=CC=CC=C1 HMDB0031609 [1,0,0,0,0,0|1,0,1]=3 17 B13R1.133 NC(CC1=CC=C(N)C=C1)C(O)=O HMDB0030397 [0,1,0,0,0,0|1,0,1]=3 18 B13R1.133 NC(CC1=CC=C(O)C=C1)C(N)=O HMDB0013319 [0,1,0,0,0,0|2,0,1]=4 19 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(O)=O HMDB0000158 [0,1,0,0,0,0|1,0,1]=3 20 B13R1.133 OC(=O)C(/O)=C/C1=CC=C(O)C=C1 HMDB0006915 [0,1,0,0,0,0|0,0,2]=3 21 B13R1.133 OC(=O)C(=O)CC1=CC=C(O)C=C1 HMDB0000707 [0,1,0,0,0,0|0,0,0]=1 22 B13R1.133 OC(CC1=CC=C(O)C=C1)C(O)=O HMDB0000755 [0,1,0,0,0,0|0,0,2]=3 23 B13R1.148 OC(=O)C(=O)CC1=CC(O)=CC=C1 HMDB0011663 [0,1,0,0,0,0|0,0,0]=1 24 B13R1.152 N[C@@H](C(O)C1=CC=CC=C1)C(O)=O HMDB0002184 [0,1,0,0,0,0|1,0,1]=3 25 B13R1.202 NC(CC1=CC=CC=C1O)C(O)=O HMDB0006050 [0,1,0,0,0,0|1,0,1]=3 26 B13R2.359 CC1(O)C(=O)NC2=CC=CC=C12 HMDB0004186 [0,0,0,1,0,0|2,0,1]=4 27 B13R2.369 OC1=CC2=CC=CC=C2OC1=O HMDB0002149 [0,0,0,1,0,0|0,0,2]=3 28 B13R2.435 OC(=O)C1=CC2=C(N1)C=CC=C2 HMDB0002285 [0,0,0,1,0,0|1,0,1]=3 29 B11R1.36 CC(C(O)=O)C1=CC=CC=C1 HMDB0011743 [0,0,0,0,1,0|1,0,1]=3 30 B11R1.36 NC(C(O)=O)C1=CC=CC=C1 HMDB0002210 [0,0,0,0,1,0|1,0,1]=3 31 B11R1.36 OC(=O)C(=O)C1=CC=CC=C1 HMDB0001587 [0,0,0,0,1,0|0,0,0]=1 32 B11R1.36 O[C@H](C(O)=O)C1=CC=CC=C1 HMDB0000703 [0,0,0,0,1,0|0,0,2]=3 33 B13R1.348 CC(C)CC(=O)CC1=CC=CC=C1 HMDB0031569 [0,0,0,0,0,1|2,0,1]=4 34 B13R1.351 CC(C)C(=O)OCC1=CC=CC=C1 HMDB0031250 [0,0,0,0,0,1|2,0,1]=4 35 B10R1.17 O=C/C=C\C1=CC=CC=C1 HMDB0032072 [2,0,0,0,0,0|0,0,1]=3 36 B10R1.17 OC/C=C/C1=CC=CC=C1 HMDB0029698 [2,0,0,0,0,0|0,0,2]=4 37 B10R1.17 OCC=CC1=CC=CC=C1 HMDB0029697 [2,0,0,0,0,0|0,0,2]=4 38 B10R1.18 CC(=O)NC1=CC=CC=C1 HMDB0001250 [2,0,0,0,0,0|1,0,1]=4 39 B10R1.18 NC(=O)CC1=CC=CC=C1 HMDB0010715 [2,0,0,0,0,0|1,0,0]=3 40 B10R1.18 OC(=O)CC1=CC=CC=C1 HMDB0000209 [2,0,0,0,0,0|0,0,0]=2 41 B10R1.18 OC(=O)CC1=CN=CC=C1 HMDB0001538 [2,0,0,0,0,0|1,0,0]=3 42 B12R1.32 CCOC(=O)CC1=CC=CC=C1 HMDB0032618 [1,1,0,0,0,0|1,0,1]=4 43 B12R1.49 CC(CC1=CC=C(C)C=C1)C=O HMDB0031856 [1,1,0,0,0,0|1,0,1]=4 44 B12R1.21 OC(=O)/C=C/C1=CC=C(O)C=C1 HMDB0002035 [1,1,0,0,0,0|0,0,1]=3 45 B12R1.21 OC(=O)/C=C\C1=CC=C(O)C=C1 HMDB0030677 [1,1,0,0,0,0|0,0,1]=3 46 B12R1.21 OC(=O)CCC1=CC=C(O)C=C1 HMDB0002199 [1,1,0,0,0,0|0,0,1]=3 47 B12R1.27 CCC(=O)OCC1=CC=CC=C1 HMDB0030063 [1,1,0,0,0,0|2,0,0]=4 48 B12R1.27 COC(=O)CCC1=CC=CC=C1 HMDB0030060 [1,1,0,0,0,0|0,0,1]=3 49 B12R1.107 CC(CC(O)=O)C1=CC=CC=C1 HMDB0001955 [1,1,0,0,0,0|0,0,1]=3 50 B12R1.107 CC(OC(C)=O)C1=CC=CC=C1 HMDB0032620 [1,1,0,0,0,0|2,0,0]=4 51 B12R1.125 OC(=O)/C=C/C1=CC=CC=C1O HMDB0002641 [1,1,0,0,0,0|0,0,1]=3 52 B12R1.226 OC(=O)/C=C/C1=CC=CC(O)=C1 HMDB0001713 [1,1,0,0,0,0|0,0,1]=3 53 B12R1.20 OC(C(O)=O)C1=CC=C(O)C=C1 HMDB0000822 [0,1,0,0,1,0|0,0,2]=4 54 B12R1.225 OC(C(O)=O)C1=CC(O)=CC=C1 HMDB0000750 [0,1,0,0,1,0|0,0,2]=4 55 B12R1.478 CCC(C(O)=O)C1=CC=CC=C1 HMDB0000329 [0,1,0,0,1,0|1,0,1]=4 56 B14R1.756 C/C=C(\C)C(=O)OCC1=CC=CC=C1 HMDB0032177 [0,1,0,0,0,1|2,0,0]=4 57 B14R1.686 NC(CC1=CC(Cl)=C(O)C=C1)C(O)=O HMDB0001885 [0,2,0,0,0,0|1,0,1]=4 58 B14R1.686 NC(CC1=CC=C(O)C(Br)=C1)C(O)=O HMDB0005874 [0,2,0,0,0,0|1,0,1]=4 59 B14R1.686 NC(CC1=CC=C(O)C(O)=C1)C(O)=O HMDB0000609 [0,2,0,0,0,0|1,0,1]=4 60 B14R1.686 N[C@@H](CC1=CC(=O)C(=O)C=C1)C(O)=O HMDB0001229 [0,2,0,0,0,0|1,0,1]=4 61 B14R1.686 N[C@@H](CC1=CC(O)=C(O)C=C1)C(O)=O HMDB0000181 [0,2,0,0,0,0|1,0,1]=4 62 B14R1.686 N[C@@H](CC1=CC=C(O)C(I)=C1)C(O)=O HMDB0000021 [0,2,0,0,0,0|1,0,1]=4 63 B14R1.686 OC(CC1=CC(O)=C(O)C=C1)C(O)=O HMDB0003503 [0,2,0,0,0,0|0,0,2]=4 64 B14R2.781 OC(=O)C1=NC2=C(C=CC=C2)C=C1 HMDB0000842 [0,0,0,1,0,1|1,0,1]=4 65 B14R2.4402 CC1=CC=C(C=C1)C2OC2C(O)=O HMDB0030903 [0,1,0,1,0,0|0,0,2]=4 66 B10R1.15 CC(C=O)C1=CC=CC=C1 HMDB0031626 [1,0,0,0,1,0|1,0,1]=4 67 B10R1.15 CCC(=O)C1=CC=CC=C1 HMDB0032623 [1,0,0,0,1,0|1,0,1]=4 68 B10R1.15 CSC(=O)C1=CC=CC=C1 HMDB0029694 [1,0,0,0,1,0|2,0,0]=4 69 B10R1.15 NCC(=O)C1=CC=CC=C1 HMDB0032628 [1,0,0,0,1,0|1,0,1]=4 70 B12R1.252 OC(=O)C/C=C/C1=CN=CC=C1 HMDB0001424 [1,0,0,0,0,1|1,0,1]=4 71 B12R1.252 OC(=O)CCCC1=CC=CC=C1 HMDB0000543 [1,0,0,0,0,1|0,0,1]=3 72 B12R1.252 OC(=O)CCCC1=CC=CN=C1 HMDB0001007 [1,0,0,0,0,1|1,0,1]=4 73 B14R1.423 OC(=O)CNC(=O)CC1=CC=CC=C1 HMDB0000821 [0,0,0,0,0,2|0,0,0]=2 74 B14R1.818 OC(CCC1=CC=CC=C1)CC(O)=O HMDB0031517 [0,0,0,0,0,2|0,0,2]=4