0 B11R1.20 CC(=O)OC1=CC=C(C)C=C1 HMDB0032075 [0,0,0,0,0,0|0,0,0]=0 1 B11R1.20 OC(=O)CC1=CC=C(O)C=C1 HMDB0000020 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.1 C/C=C/C1=NC=C(C)N=C1 HMDB0039997 [1,0,0,0,0,0|3,0,0]=4 3 B10R1.1 C/C=C\C1=CC=C(O)C=C1 HMDB0030839 [1,0,0,0,0,0|2,0,0]=3 4 B10R1.1 CC1=CC=C(CC=O)C=C1 HMDB0029639 [1,0,0,0,0,0|1,0,0]=2 5 B10R1.1 CCCC1=CC=C(O)C=C1 HMDB0032625 [1,0,0,0,0,0|2,0,1]=4 6 B10R1.1 CCOC1=CC=C(O)C=C1 HMDB0032036 [1,0,0,0,0,0|1,0,1]=3 7 B10R1.1 CCOC1=NC=C(C)N=C1 HMDB0040142 [1,0,0,0,0,0|2,0,1]=4 8 B10R1.1 OC1=CC=C(CC=C)C=C1 HMDB0034107 [1,0,0,0,0,0|2,0,1]=4 9 B10R1.18 CC(=O)OC1=CC=CC=C1 HMDB0040733 [1,0,0,0,0,0|0,0,0]=1 10 B12R1.4 COC1=CC=C(CC(C)=O)C=C1 HMDB0032891 [0,1,0,0,0,0|1,0,0]=2 11 B12R1.19 CC(=O)CC1=CC(O)=C(O)C=C1 HMDB0031132 [0,1,0,0,0,0|2,0,0]=3 12 B12R1.20 CC(C(O)=O)C1=CC=C(O)C=C1 HMDB0041683 [0,1,0,0,0,0|3,0,0]=4 13 B12R1.49 CC(CC1=CC=C(C)C=C1)C=O HMDB0031856 [0,1,0,0,0,0|1,0,1]=3 14 B10R1.13 CC(=C)C1=CC=C(C)C=C1 HMDB0029641 [0,0,0,0,1,0|1,0,0]=2 15 B10R1.13 CC(=C)C1=CC=C(C)CC1 HMDB0037013 [0,0,0,0,1,0|1,0,2]=4 16 B10R1.13 CC(=O)C1=CC=C(C)C=C1 HMDB0032608 [0,0,0,0,1,0|0,0,0]=1 17 B10R1.13 CC(=O)C1=NC=C(C)C=C1 HMDB0040222 [0,0,0,0,1,0|1,0,0]=2 18 B10R1.13 CC(C)C1=CC=C(O)C=C1 HMDB0031446 [0,0,0,0,1,0|2,0,1]=4 19 B10R1.13 CC(O)C1=CC=C(C)C=C1 HMDB0034378 [0,0,0,0,1,0|0,0,2]=3 20 B10R1.13 CC1=CC=C(C=C1)C(O)=O HMDB0029635 [0,0,0,0,1,0|1,0,0]=2 21 B12R1.21 CC(=O)CCC1=CC=C(C)C=C1 HMDB0036183 [0,0,0,0,0,1|1,0,0]=2 22 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 HMDB0033723 [0,0,0,0,0,1|2,0,0]=3 23 B12R1.21 CC(=O)OCC1=CC=C(C)C=C1 HMDB0040460 [0,0,0,0,0,1|0,0,0]=1 24 B12R1.21 OC(=O)/C=C\C1=CC=C(O)C=C1 HMDB0030677 [0,0,0,0,0,1|3,0,0]=4 25 B9R0.2 C/C=C/C=C/COC(C)=O HMDB0032311 [1,0,1,0,0,0|0,0,2]=4 26 B9R1.1 CC1=CC=C(C=O)C=C1 HMDB0029638 [2,0,0,0,0,0|0,0,0]=2 27 B9R1.1 CC1=CC=C(CO)C=C1 HMDB0041609 [2,0,0,0,0,0|0,0,2]=4 28 B9R1.1 CCC1=CC=C(O)C=C1 HMDB0029306 [2,0,0,0,0,0|1,0,1]=4 29 B9R1.1 CCC1=CN=C(C)C=C1 HMDB0029729 [2,0,0,0,0,0|1,0,1]=4 30 B9R1.1 CCC1=NC=C(C)C=C1 HMDB0040041 [2,0,0,0,0,0|1,0,1]=4 31 B9R1.1 COC1=CC=C(C)C=C1 HMDB0032076 [2,0,0,0,0,0|0,0,0]=2 32 B9R1.1 COC1=CC=C(N)C=C1 HMDB0029300 [2,0,0,0,0,0|1,0,0]=3 33 B9R1.1 COC1=CC=C(O)C=C1 HMDB0029696 [2,0,0,0,0,0|1,0,0]=3 34 B9R1.1 COC1=NC=C(C)N=C1 HMDB0040141 [2,0,0,0,0,0|2,0,0]=4 35 B9R1.8 C=CSC1=CC=CC=C1 HMDB0031825 [2,0,0,0,0,0|0,1,1]=4 36 B9R1.8 CSCC1=CC=CC=C1 HMDB0031314 [2,0,0,0,0,0|2,0,0]=4 37 B9R1.8 CSSC1=CC=CC=C1 HMDB0040939 [2,0,0,0,0,0|1,1,0]=4 38 B11R1.1 CC1=CC=C(/C=C/C=O)C=C1 HMDB0029640 [1,1,0,0,0,0|1,0,0]=3 39 B11R1.1 CCOCC1=CC=C(O)C=C1 HMDB0039956 [1,1,0,0,0,0|1,0,1]=4 40 B11R1.1 OC1=CC=C(/C=C/C=O)C=C1 HMDB0040986 [1,1,0,0,0,0|2,0,0]=4 41 B11R1.22 CC(C=O)C1=CC=C(C)C=C1 HMDB0033382 [1,1,0,0,0,0|1,0,0]=3 42 B11R1.83 CCCC1=CC=C(OC)C=C1 HMDB0032626 [1,1,0,0,0,0|1,0,1]=4 43 B11R1.83 CCOC1=CC=C(C=O)C=C1 HMDB0033970 [1,1,0,0,0,0|0,0,2]=4 44 B11R1.83 COC1=CC=C(/C=C\C)C=C1 HMDB0030837 [1,1,0,0,0,0|1,0,0]=3 45 B11R1.83 COC1=CC=C(CC=C)C=C1 HMDB0034121 [1,1,0,0,0,0|1,0,1]=4 46 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 HMDB0035243 [1,1,0,0,0,0|1,0,0]=3 47 B11R1.40 C/C(C=O)=C/C1=CC=CC=C1 HMDB0031566 [1,1,0,0,0,0|1,0,0]=3 48 B11R1.40 COC(=O)CC1=CC=CC=C1 HMDB0032617 [1,1,0,0,0,0|1,0,0]=3 49 B11R1.86 CC(=O)OC1=CC=CC=C1C HMDB0032073 [1,1,0,0,0,0|0,0,0]=2 50 B11R1.3 CC(=C)C1=CC=C(C=O)C=C1 HMDB0035925 [0,1,0,0,1,0|1,0,1]=4 51 B11R1.3 CC(C)C1=CC=C(CO)C=C1 HMDB0031817 [0,1,0,0,1,0|1,0,1]=4 52 B11R1.3 COC1=CC=C(C=C1)C(C)=O HMDB0032570 [0,1,0,0,1,0|0,0,0]=2 53 B11R1.19 CC1=CC=C(C=C1)C(C)(C)O HMDB0029652 [0,1,0,0,1,0|0,0,2]=4 54 B11R1.21 CC(=O)C1=CC(O)=C(O)C=C1 HMDB0029661 [0,1,0,0,1,0|1,0,0]=3 55 B11R1.21 CC(C)C1=CC(O)=C(C)C=C1 HMDB0035770 [0,1,0,0,1,0|1,0,1]=4 56 B11R1.21 OC(=O)C1=CC(O)=C(O)C=C1 HMDB0001856 [0,1,0,0,1,0|2,0,0]=4 57 B11R1.166 CC(=O)C1=C(C)C=C(C)C=C1 HMDB0032140 [0,1,0,0,1,0|0,0,0]=2 58 B11R1.166 CC(=O)C1=C(C)N=C(C)C=N1 HMDB0039999 [0,1,0,0,1,0|2,0,0]=4 59 B11R1.166 CC(=O)C1=C(O)C=C(O)C=C1 HMDB0029659 [0,1,0,0,1,0|1,0,0]=3 60 B11R1.166 OC(=O)C1=C(O)C=C(O)C=C1 HMDB0029666 [0,1,0,0,1,0|2,0,0]=4 61 B11R1.314 CC(=O)C(=O)C1=CC=C(C)O1 HMDB0033003 [0,1,0,0,1,0|2,0,0]=4 62 B11R1.645 CC(=O)SC1=C(C)OC(C)=C1 HMDB0032234 [0,1,0,0,1,0|1,1,0]=4 63 B13R1.3 COC1=CC=C(CCC(C)=O)C=C1 HMDB0033597 [0,1,0,0,0,1|1,0,0]=3 64 B13R1.3 COC1=CC=C(COC(C)=O)C=C1 HMDB0033761 [0,1,0,0,0,1|0,0,0]=2 65 B13R1.132 CC(CC(C)=O)C1=CC=C(C)C=C1 HMDB0034177 [0,1,0,0,0,1|1,0,0]=3 66 B13R1.133 CC(C)C(=O)OC1=CC=C(C)C=C1 HMDB0037708 [0,1,0,0,0,1|1,0,1]=4 67 B13R1.5 COC1=CC=C(/C=C(\C)C=O)C=C1 HMDB0037145 [0,2,0,0,0,0|1,0,0]=3 68 B13R1.142 CCOC1=CC=C(NC(N)=O)C=C1 HMDB0032565 [0,2,0,0,0,0|2,0,0]=4 69 B13R1.163 CC(C(C)=O)C1=C(O)C=C(C)C=C1 HMDB0038179 [0,2,0,0,0,0|1,0,0]=3 70 B11R1.167 CC(=O)C1=C(O)C=CC(C)=C1 HMDB0032592 [0,0,1,1,0,0|2,0,0]=4 71 B11R2.10 CC1=NC2=CC=CC=C2O1 HMDB0032390 [1,0,0,1,0,0|1,0,0]=3 72 B11R2.10 CC1=NC2=CC=CC=C2S1 HMDB0033001 [1,0,0,1,0,0|1,1,0]=4 73 B11R2.10 O=C1NC2=CC=CC=C2O1 HMDB0032931 [1,0,0,1,0,0|1,0,0]=3 74 B13R2.2121 COC1=CC=C2NC(=O)OC2=C1 HMDB0036582 [0,1,0,1,0,0|2,0,0]=4 75 B13R2.5190 CC1C(=O)OC2=C1C=CC(C)=C2 HMDB0038893 [0,1,0,1,0,0|2,0,0]=4 76 B13R2.3683 CC1=CC2=C(OC(=O)C=C2)C=C1 HMDB0032394 [0,1,0,1,0,0|0,0,1]=3 77 B9R0.1 CC(C)=CC/C=C(/C)C=C HMDB0030088 [0,0,1,0,1,0|1,0,1]=4 78 B9R0.1 CC(C)=CC/C=C(\C)C=C HMDB0030089 [0,0,1,0,1,0|1,0,1]=4 79 B9R1.6 CC(=O)C1=CC=CC=C1 HMDB0033910 [1,0,0,0,1,0|0,0,0]=2 80 B9R1.6 CC(=O)C1=CC=CC=N1 HMDB0035281 [1,0,0,0,1,0|1,0,0]=3 81 B9R1.6 CC(=O)C1=CN=CC=C1 HMDB0033131 [1,0,0,0,1,0|1,0,0]=3 82 B9R1.6 CC(=O)C1=CN=CC=N1 HMDB0031861 [1,0,0,0,1,0|2,0,0]=4 83 B9R1.6 CC(C)C1=CC=CC=C1 HMDB0034029 [1,0,0,0,1,0|1,0,1]=4 84 B9R1.6 CC(O)C1=CC=CC=C1 HMDB0032619 [1,0,0,0,1,0|0,0,2]=4 85 B9R1.6 CC(S)C1=CC=CC=C1 HMDB0032467 [1,0,0,0,1,0|0,1,1]=4 86 B9R1.6 OC(=O)C1=CC=CC=C1 HMDB0001870 [1,0,0,0,1,0|1,0,0]=3 87 B9R1.6 OC(=O)C1=CN=CC=C1 HMDB0001488 [1,0,0,0,1,0|2,0,0]=4 88 B9R1.13 CC(=O)CC1=CC=CO1 HMDB0032917 [1,0,0,0,1,0|2,0,0]=4 89 B9R1.35 CC(=O)C1=CC=C(C)O1 HMDB0035226 [0,0,0,0,2,0|1,0,0]=3 90 B9R1.35 CC(=O)C1=CC=C(C)S1 HMDB0033130 [0,0,0,0,2,0|1,0,0]=3 91 B11R1.91 CC(=O)/C=C/C1=CC=CC=C1 HMDB0031617 [1,0,0,0,0,1|1,0,0]=3 92 B11R1.91 CC(=O)OCC1=CC=CC=C1 HMDB0031310 [1,0,0,0,0,1|0,0,0]=2 93 B11R1.91 OC(=O)COC1=CC=CC=C1 HMDB0031609 [1,0,0,0,0,1|1,0,0]=3