0 B12R1.27 CC(CCC1=CC=CC=C1)C=O HMDB0032415 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.27 CCC(=O)OCC1=CC=CC=C1 HMDB0030063 [0,0,0,0,0,0|2,0,0]=2 2 B12R1.27 COC(=O)/C=C\C1=CC=CC=C1 HMDB0033833 [0,0,0,0,0,0|0,0,2]=2 3 B12R1.27 COC(=O)CCC1=CC=CC=C1 HMDB0030060 [0,0,0,0,0,0|0,0,0]=0 4 B12R1.27 NCC(=O)OCC1=CC=CC=C1 HMDB0033374 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.28 CCCCCC1=CN=CC=C1 HMDB0034886 [1,0,0,0,0,0|2,0,1]=4 6 B11R1.28 CCCCCC1=NC=CC=C1 HMDB0034893 [1,0,0,0,0,0|2,0,1]=4 7 B11R1.28 O=C/C=C/CC1=CC=CC=C1 HMDB0029602 [1,0,0,0,0,0|2,0,1]=4 8 B11R1.28 O=COCCC1=CC=CC=C1 HMDB0040428 [1,0,0,0,0,0|3,0,0]=4 9 B11R1.28 S=C=NCCC1=CC=CC=C1 HMDB0038445 [1,0,0,0,0,0|3,0,0]=4 10 B11R1.91 CC(=O)/C=C/C1=CC=CC=C1 HMDB0031617 [1,0,0,0,0,0|0,0,2]=3 11 B11R1.91 CC(=O)OCC1=CC=CC=C1 HMDB0031310 [1,0,0,0,0,0|1,0,0]=2 12 B11R1.91 CC(O)CCC1=CC=CC=C1 HMDB0031613 [1,0,0,0,0,0|0,0,2]=3 13 B11R1.91 OC(=O)COC1=CC=CC=C1 HMDB0031609 [1,0,0,0,0,0|1,0,0]=2 14 B13R1.11 CCC(=O)OC(C)C1=CC=CC=C1 HMDB0040287 [0,1,0,0,0,0|2,0,0]=3 15 B13R1.42 CCCC(=O)OCC1=CC=CC=C1 HMDB0033376 [0,1,0,0,0,0|2,0,0]=3 16 B13R1.42 CCOC(=O)/C=C\C1=CC=CC=C1 HMDB0033834 [0,1,0,0,0,0|0,0,2]=3 17 B13R1.42 CCOC(=O)CCC1=CC=CC=C1 HMDB0040411 [0,1,0,0,0,0|0,0,0]=1 18 B13R1.254 CCC(C)(O)CCC1=CC=CC=C1 HMDB0031731 [0,1,0,0,0,0|1,0,2]=4 19 B13R1.351 CC(C)C(=O)OCC1=CC=CC=C1 HMDB0031250 [0,1,0,0,0,0|2,0,0]=3 20 B13R2.33 O=C1CCC2=CC=CC=C2OC1 HMDB0029714 [0,0,0,1,0,0|2,0,0]=3 21 B13R2.57 COC1=CC2=C(C=CC=C2)C=C1 HMDB0032861 [0,0,0,1,0,0|1,0,2]=4 22 B11R1.25 CCC(=O)OCC1=CC=CO1 HMDB0037728 [0,0,0,0,1,0|3,0,0]=4 23 B11R1.25 CCC(=O)SCC1=CC=CO1 HMDB0037732 [0,0,0,0,1,0|3,0,0]=4 24 B11R1.25 COC(=O)/C=C/C1=CC=CO1 HMDB0032399 [0,0,0,0,1,0|1,0,2]=4 25 B11R1.40 COC(=O)CC1=CC=CC=C1 HMDB0032617 [0,0,0,0,1,0|0,0,0]=1 26 B13R1.718 CCC(=O)OCCC1=CC=CC=C1 HMDB0035013 [0,0,0,0,0,1|1,0,0]=2 27 B13R1.718 COC(=O)CCCC1=CC=CC=C1 HMDB0036385 [0,0,0,0,0,1|0,0,0]=1 28 B10R0.71 CCCCC/C=C\C=C\C=C HMDB0030944 [1,0,1,0,0,0|1,0,1]=4 29 B10R0.74 COC(=O)CC/C=C/CC=C HMDB0040285 [1,0,1,0,0,0|0,0,1]=3 30 B10R1.17 CCCCC1=CN=CC=C1 HMDB0032934 [2,0,0,0,0,0|1,0,1]=4 31 B10R1.17 CCOCC1=CC=CC=C1 HMDB0031312 [2,0,0,0,0,0|1,0,1]=4 32 B10R1.17 COCCC1=CC=CC=C1 HMDB0032621 [2,0,0,0,0,0|0,0,0]=2 33 B10R1.17 CSSCC1=CC=CC=C1 HMDB0040590 [2,0,0,0,0,0|1,1,0]=4 34 B10R1.17 N#CCCC1=CC=CC=C1 HMDB0034236 [2,0,0,0,0,0|1,0,1]=4 35 B10R1.17 O=C/C=C\C1=CC=CC=C1 HMDB0032072 [2,0,0,0,0,0|0,0,2]=4 36 B10R1.17 O=CCCC1=CC=CC=C1 HMDB0033716 [2,0,0,0,0,0|0,0,0]=2 37 B10R1.17 O=COCC1=CC=CC=C1 HMDB0041485 [2,0,0,0,0,0|1,0,0]=3 38 B10R1.17 OCCCC1=CC=CC=C1 HMDB0033962 [2,0,0,0,0,0|0,0,1]=3 39 B10R1.17 OCCOC1=CC=CC=C1 HMDB0041607 [2,0,0,0,0,0|1,0,1]=4 40 B12R0.248 COC(=O)CC/C=C\CC/C=C\C HMDB0034708 [0,1,1,0,0,0|0,0,2]=4 41 B12R1.8 CCCCOCC1=CC=CC=C1 HMDB0031311 [1,1,0,0,0,0|1,0,1]=4 42 B12R1.8 O=COCCCC1=CC=CC=C1 HMDB0034471 [1,1,0,0,0,0|0,0,2]=4 43 B12R1.8 OCCCCCC1=CC=CC=C1 HMDB0031624 [1,1,0,0,0,0|1,0,1]=4 44 B12R1.32 CCCC(O)CC1=CC=CC=C1 HMDB0031625 [1,1,0,0,0,0|1,0,1]=4 45 B12R1.252 CC(=O)OCCC1=CC=CC=C1 HMDB0033945 [1,1,0,0,0,0|2,0,0]=4 46 B12R1.21 CC(=O)CCC1=CC=C(C)C=C1 HMDB0036183 [1,1,0,0,0,0|0,0,0]=2 47 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 HMDB0033723 [1,1,0,0,0,0|0,0,0]=2 48 B12R1.21 CC(=O)OCC1=CC=C(C)C=C1 HMDB0040460 [1,1,0,0,0,0|1,0,0]=3 49 B12R1.21 CN(C)CCC1=CC=C(O)C=C1 HMDB0004366 [1,1,0,0,0,0|2,0,0]=4 50 B12R1.21 OC(=O)/C=C\C1=CC=C(O)C=C1 HMDB0030677 [1,1,0,0,0,0|0,0,2]=4 51 B12R1.43 CC(=O)C(/C)=C\C1=CC=CC=C1 HMDB0031567 [1,1,0,0,0,0|0,0,2]=4 52 B12R1.43 CC(=O)C(O)CC1=CC=CC=C1 HMDB0032336 [1,1,0,0,0,0|0,0,0]=2 53 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(O)=O HMDB0000159 [1,1,0,0,0,0|0,0,0]=2 54 B12R1.107 CC(OC(C)=O)C1=CC=CC=C1 HMDB0032620 [1,1,0,0,0,0|1,0,0]=3 55 B12R1.125 CC(=O)OCC1=CC=CC=C1C HMDB0041472 [1,1,0,0,0,0|1,0,0]=3 56 B12R1.125 OC(=O)/C=C\C1=CC=CC=C1O HMDB0041592 [1,1,0,0,0,0|0,0,2]=4 57 B12R1.125 OC(=O)CCC1=CC=CC=C1O HMDB0033752 [1,1,0,0,0,0|0,0,0]=2 58 B12R1.226 CC(=O)OCC1=CC=CC(C)=C1 HMDB0041473 [1,1,0,0,0,0|1,0,0]=3 59 B12R1.891 CC(C)(O)CCC1=CC=CC=C1 HMDB0031866 [1,1,0,0,0,0|0,0,2]=4 60 B12R1.891 OS(=O)(=O)OCC1=CC=CC=C1 HMDB0034782 [1,1,0,0,0,0|2,0,0]=4 61 B12R1.51 CCOC(=O)CCC1=CC=CO1 HMDB0032921 [0,1,0,0,1,0|1,0,0]=3 62 B12R1.264 CC(=C)C(=O)CCC1=COC=C1 HMDB0035414 [0,1,0,0,1,0|2,0,0]=4 63 B12R1.118 COC(CC1=CC=CC=C1)OC HMDB0032615 [0,1,0,0,1,0|0,0,2]=4 64 B14R1.520 CCCC(=O)OCCC1=CC=CC=C1 HMDB0035014 [0,1,0,0,0,1|1,0,0]=3 65 B14R1.520 CCOC(=O)CCCC1=CC=CC=C1 HMDB0031618 [0,1,0,0,0,1|0,0,0]=2 66 B14R1.6449 CC(C)C(=O)OCCC1=CC=CC=C1 HMDB0035015 [0,1,0,0,0,1|1,0,0]=3 67 B14R1.29 CCCC(=O)OC(C)C1=CC=CC=C1 HMDB0037717 [0,2,0,0,0,0|2,0,0]=4 68 B14R1.29 CCOC(=O)CC(=O)C1=CC=CC=C1 HMDB0040268 [0,2,0,0,0,0|0,0,1]=3 69 B14R1.415 CC(C)C(=O)OC(C)C1=CC=CC=C1 HMDB0037716 [0,2,0,0,0,0|2,0,0]=4 70 B14R1.5 CCC(=O)OCC1=CC=C(OC)C=C1 HMDB0034990 [0,2,0,0,0,0|2,0,0]=4 71 B14R1.5 COC(=O)/C=C/C1=CC=C(OC)C=C1 HMDB0030752 [0,2,0,0,0,0|0,0,2]=4 72 B14R1.502 CCOC(=O)COC1=CC=C(C)C=C1 HMDB0034206 [0,2,0,0,0,0|1,0,0]=3 73 B14R1.156 C=CCOC(=O)/C=C\C1=CC=CC=C1 HMDB0041219 [0,2,0,0,0,0|0,0,2]=4 74 B14R1.156 C=CCOC(=O)COC1=CC=CC=C1 HMDB0031610 [0,2,0,0,0,0|1,0,0]=3 75 B14R1.156 CCCOC(=O)/C=C\C1=CC=CC=C1 HMDB0037700 [0,2,0,0,0,0|0,0,2]=4 76 B14R1.818 CC(=O)CC(=O)OCC1=CC=CC=C1 HMDB0040446 [0,2,0,0,0,0|2,0,0]=4 77 B14R1.818 CC(C)CC(=O)OCC1=CC=CC=C1 HMDB0032043 [0,2,0,0,0,0|2,0,0]=4 78 B14R1.818 CC(C)OC(=O)/C=C\C1=CC=CC=C1 HMDB0037701 [0,2,0,0,0,0|0,0,2]=4 79 B14R1.818 CC(CCC1=CC=CC=C1)OC(C)=O HMDB0031614 [0,2,0,0,0,0|1,0,1]=4 80 B12R2.24 O=C1CCC2=CC=CC=C2O1 HMDB0036626 [1,0,0,1,0,0|0,0,0]=2 81 B12R2.24 O=C1COC2=CC=CC=C2O1 HMDB0040528 [1,0,0,1,0,0|1,0,0]=3 82 B14R2.2950 CC1CC(C)(CO1)C2=CC=CC=C2 HMDB0036021 [0,1,0,1,0,0|1,0,1]=4 83 B10R1.18 CC(=O)OC1=CC=CC=C1 HMDB0040733 [1,0,0,0,1,0|1,0,0]=3 84 B10R1.66 CC(=O)CCC1=CC=CO1 HMDB0032290 [1,0,0,0,1,0|1,0,0]=3 85 B10R1.66 CC(=O)OCC1=CC=CO1 HMDB0034246 [1,0,0,0,1,0|2,0,0]=4 86 B10R1.66 CC(=O)SCC1=CC=CO1 HMDB0035088 [1,0,0,0,1,0|2,0,0]=4 87 B10R1.15 CCC(=O)C1=CC=CC=C1 HMDB0032623 [0,0,0,0,2,0|1,0,0]=3 88 B10R1.15 COC(=O)C1=CC=CC=C1 HMDB0033968 [0,0,0,0,2,0|0,0,0]=2 89 B10R1.15 COC(=O)C1=CN=CC=C1 HMDB0029806 [0,0,0,0,2,0|1,0,0]=3 90 B10R1.15 CSC(=O)C1=CC=CC=C1 HMDB0029694 [0,0,0,0,2,0|0,1,0]=3 91 B10R1.15 NCC(=O)C1=CC=CC=C1 HMDB0032628 [0,0,0,0,2,0|2,0,0]=4 92 B14R1.716 CCC(=O)OC/C=C\C1=CC=CC=C1 HMDB0041315 [0,0,0,0,0,2|1,0,1]=4 93 B14R1.716 CCC(=O)OCCCC1=CC=CC=C1 HMDB0036388 [0,0,0,0,0,2|1,0,0]=3