0 B11R1.40 C/C(C=O)=C/C1=CC=CC=C1 HMDB0031566 [0,0,0,0,0,0|0,0,0]=0 1 B11R1.40 COC(=O)CC1=CC=CC=C1 HMDB0032617 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.17 O=C/C=C\C1=CC=CC=C1 HMDB0032072 [1,0,0,0,0,0|0,0,0]=1 3 B10R1.17 OC/C=C/C1=CC=CC=C1 HMDB0029698 [1,0,0,0,0,0|0,0,2]=3 4 B10R1.17 OCC=CC1=CC=CC=C1 HMDB0029697 [1,0,0,0,0,0|0,0,2]=3 5 B10R1.18 CC(=O)NC1=CC=CC=C1 HMDB0001250 [1,0,0,0,0,0|1,0,0]=2 6 B10R1.18 NC(=O)CC1=CC=CC=C1 HMDB0010715 [1,0,0,0,0,0|1,0,1]=3 7 B10R1.18 OC(=O)CC1=CC=CC=C1 HMDB0000209 [1,0,0,0,0,0|1,0,1]=3 8 B10R1.18 OC(=O)CC1=CN=CC=C1 HMDB0001538 [1,0,0,0,0,0|2,0,1]=4 9 B12R1.43 CC(=O)C(/C)=C\C1=CC=CC=C1 HMDB0031567 [0,1,0,0,0,0|0,0,0]=1 10 B12R1.43 CC(=O)C(O)CC1=CC=CC=C1 HMDB0032336 [0,1,0,0,0,0|1,0,2]=4 11 B12R1.43 OC(=O)C(/O)=C/C1=CC=CC=C1 HMDB0012225 [0,1,0,0,0,0|1,0,0]=2 12 B12R1.43 OC(=O)C(=O)CC1=CC=CC=C1 HMDB0000205 [0,1,0,0,0,0|1,0,1]=3 13 B12R1.43 OC(CC1=CC=CC=C1)C(O)=O HMDB0000779 [0,1,0,0,0,0|1,0,2]=4 14 B12R1.43 O[C@H](CC1=CC=CC=C1)C(O)=O HMDB0000748 [0,1,0,0,0,0|1,0,2]=4 15 B12R1.43 [C@H](O)(CC1=CC=CC=C1)C(O)=O HMDB0000563 [0,1,0,0,0,0|1,0,2]=4 16 B12R1.49 CC(CC1=CC=C(C)C=C1)C=O HMDB0031856 [0,1,0,0,0,0|0,0,2]=3 17 B12R2.24 OC1=CC2=CC=CC=C2C=C1 HMDB0012322 [0,0,0,1,0,0|2,0,0]=3 18 B12R2.24 SC1=CC2=C(C=CC=C2)C=C1 HMDB0029689 [0,0,0,1,0,0|2,0,0]=3 19 B10R1.15 CC(C=O)C1=CC=CC=C1 HMDB0031626 [0,0,0,0,1,0|0,0,1]=2 20 B10R1.15 CC(CO)C1=CC=CC=C1 HMDB0031628 [0,0,0,0,1,0|0,0,3]=4 21 B10R1.15 CCC(=O)C1=CC=CC=C1 HMDB0032623 [0,0,0,0,1,0|2,0,1]=4 22 B10R1.15 CSC(=O)C1=CC=CC=C1 HMDB0029694 [0,0,0,0,1,0|3,0,0]=4 23 B10R1.15 NCC(=O)C1=CC=CC=C1 HMDB0032628 [0,0,0,0,1,0|2,0,1]=4 24 B9R0.45 CC/C=C\C=C/C=C\C=O HMDB0032441 [1,0,1,0,0,0|0,0,2]=4 25 B9R1.8 C=CSC1=CC=CC=C1 HMDB0031825 [2,0,0,0,0,0|1,0,0]=3 26 B9R1.8 CSCC1=CC=CC=C1 HMDB0031314 [2,0,0,0,0,0|1,0,1]=4 27 B9R1.8 O=CCC1=CC=CC=C1 HMDB0006236 [2,0,0,0,0,0|0,0,1]=3 28 B11R1.1 CC1=CC=C(/C=C/C=O)C=C1 HMDB0029640 [1,1,0,0,0,0|0,0,0]=2 29 B11R1.1 OC/C=C/C1=CC=C(O)C=C1 HMDB0003654 [1,1,0,0,0,0|0,0,2]=4 30 B11R1.17 OC1=CC=CC=C1/C=C/C=O HMDB0031725 [1,1,0,0,0,0|0,0,0]=2 31 B11R1.28 O=C/C=C/CC1=CC=CC=C1 HMDB0029602 [1,1,0,0,0,0|0,0,0]=2 32 B11R1.91 CC(=O)/C=C/C1=CC=CC=C1 HMDB0031617 [1,1,0,0,0,0|0,0,0]=2 33 B11R1.91 CC(=O)OCC1=CC=CC=C1 HMDB0031310 [1,1,0,0,0,0|1,0,1]=4 34 B11R1.91 CC(O)/C=C\C1=CC=CC=C1 HMDB0031616 [1,1,0,0,0,0|0,0,2]=4 35 B11R1.91 OC(=O)/C=C/C1=CC=CC=C1 HMDB0000930 [1,1,0,0,0,0|0,0,0]=2 36 B11R1.91 OC(=O)/C=C\C1=CC=CC=C1 HMDB0000567 [1,1,0,0,0,0|0,0,0]=2 37 B11R1.91 OC(=O)CCC1=CC=CC=C1 HMDB0000764 [1,1,0,0,0,0|0,0,2]=4 38 B11R1.91 OC(=O)COC1=CC=CC=C1 HMDB0031609 [1,1,0,0,0,0|1,0,1]=4 39 B11R1.20 CC(=O)OC1=CC=C(C)C=C1 HMDB0032075 [1,1,0,0,0,0|1,0,0]=3 40 B11R1.36 CC(C(O)=O)C1=CC=CC=C1 HMDB0011743 [1,1,0,0,0,0|1,0,1]=4 41 B11R1.36 NC(C(O)=O)C1=CC=CC=C1 HMDB0002210 [1,1,0,0,0,0|1,0,1]=4 42 B11R1.36 OC(=O)C(=O)C1=CC=CC=C1 HMDB0001587 [1,1,0,0,0,0|1,0,0]=3 43 B11R1.36 O[C@H](C(O)=O)C1=CC=CC=C1 HMDB0000703 [1,1,0,0,0,0|1,0,1]=4 44 B11R1.86 CC(=O)OC1=CC=CC=C1C HMDB0032073 [1,1,0,0,0,0|1,0,0]=3 45 B11R1.86 OC(=O)CC1=CC=CC=C1O HMDB0000669 [1,1,0,0,0,0|1,0,1]=4 46 B11R1.157 CC1=CC(CC(O)=O)=CC=C1 HMDB0002222 [1,1,0,0,0,0|1,0,1]=4 47 B11R1.22 CC(C=O)C1=CC=C(C)C=C1 HMDB0033382 [0,1,0,0,1,0|0,0,1]=3 48 B13R1.133 OC(=O)C(/O)=C/C1=CC=C(O)C=C1 HMDB0006915 [0,2,0,0,0,0|1,0,0]=3 49 B13R1.133 OC(=O)C(=O)CC1=CC=C(O)C=C1 HMDB0000707 [0,2,0,0,0,0|1,0,1]=4 50 B13R1.148 OC(=O)C(=O)CC1=CC(O)=CC=C1 HMDB0011663 [0,2,0,0,0,0|1,0,1]=4 51 B11R2.1 C=C1C=NC2=CC=CC=C12 HMDB0011664 [1,0,0,1,0,0|2,0,0]=4 52 B11R2.1 CC1=CNC2=C1C=CC=C2 HMDB0000466 [1,0,0,1,0,0|2,0,0]=4 53 B11R2.1 O=C1OCC2=CC=CC=C12 HMDB0032469 [1,0,0,1,0,0|1,0,1]=4 54 B11R2.1 OC1=CNC2=CC=CC=C12 HMDB0004094 [1,0,0,1,0,0|1,0,1]=4 55 B11R2.20 C1=CC2=CC=CC=C2C=C1 HMDB0029751 [1,0,0,1,0,0|1,0,0]=3 56 B11R2.10 CC1=NC2=CC=CC=C2O1 HMDB0032390 [1,0,0,1,0,0|1,0,1]=4 57 B13R2.369 OC1=CC2=CC=CC=C2OC1=O HMDB0002149 [0,1,0,1,0,0|1,0,0]=3 58 B13R2.435 OC(=O)C1=CC2=C(N1)C=CC=C2 HMDB0002285 [0,1,0,1,0,0|1,0,0]=3 59 B13R2.3683 CC1=CC2=C(OC(=O)C=C2)C=C1 HMDB0032394 [0,1,0,1,0,0|2,0,0]=4 60 B9R1.6 CC(=O)C1=CN=CC=N1 HMDB0031861 [1,0,0,0,1,0|2,0,0]=4 61 B9R1.6 CC(N)C1=CC=CC=C1 HMDB0002017 [1,0,0,0,1,0|1,0,1]=4 62 B9R1.6 CC(O)C1=CC=CC=C1 HMDB0032619 [1,0,0,0,1,0|0,0,2]=4 63 B9R1.6 CC(S)C1=CC=CC=C1 HMDB0032467 [1,0,0,0,1,0|0,1,1]=4 64 B9R1.6 CN(C)C1=CC=CC=C1 HMDB0001020 [1,0,0,0,1,0|1,0,1]=4 65 B9R1.6 NC(=O)C1=CC=CC=C1 HMDB0004461 [1,0,0,0,1,0|1,0,0]=3 66 B9R1.6 NC(=O)C1=CC=CN=C1 HMDB0001406 [1,0,0,0,1,0|2,0,0]=4 67 B9R1.6 OC(=O)C1=CC=CC=N1 HMDB0002243 [1,0,0,0,1,0|2,0,0]=4 68 B9R1.6 OC(=O)C1=CN=CC=C1 HMDB0001488 [1,0,0,0,1,0|2,0,0]=4