0 B11R1.21 CC(=O)C1=CC(O)=C(O)C=C1 HMDB0029661 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.21 CC(C)C1=CC(O)=C(C)C=C1 HMDB0035770 [0,0,0,0,0,0|0,0,0]=0 2 B11R1.21 CC(C)C1CC(O)C(=C)C=C1 HMDB0035277 [0,0,0,0,0,0|0,0,4]=4 3 B11R1.21 CC(C)C1CC=C(C)C(=O)C1 HMDB0034974 [0,0,0,0,0,0|0,0,4]=4 4 B11R1.21 OC(=O)C1=CC(O)=C(O)C=C1 HMDB0001856 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.13 CC(=C)C1=CC=C(C)C=C1 HMDB0029641 [1,0,0,0,0,0|0,0,2]=3 6 B10R1.13 CC(=O)C1=CC=C(C)C=C1 HMDB0032608 [1,0,0,0,0,0|1,0,1]=3 7 B10R1.13 CC(=O)C1=NC=C(C)C=C1 HMDB0040222 [1,0,0,0,0,0|2,0,1]=4 8 B10R1.13 CC(C)C1=CC=C(C)CC1 HMDB0036995 [1,0,0,0,0,0|0,0,2]=3 9 B10R1.13 CC(C)C1=CC=C(O)C=C1 HMDB0031446 [1,0,0,0,0,0|1,0,0]=2 10 B10R1.13 CC(C)C1=CCC(C)=CC1 HMDB0005806 [1,0,0,0,0,0|0,0,2]=3 11 B10R1.13 CC(C)C1=CCC(C)C=C1 HMDB0038150 [1,0,0,0,0,0|0,0,2]=3 12 B10R1.13 CC(C)C1=NC=C(C)N=C1 HMDB0037151 [1,0,0,0,0,0|2,0,0]=3 13 B10R1.13 CC(C)C1CC=C(C)C=C1 HMDB0035850 [1,0,0,0,0,0|0,0,2]=3 14 B10R1.13 CC(O)C1=CC=C(C)C=C1 HMDB0034378 [1,0,0,0,0,0|1,0,0]=2 15 B10R1.13 CC1=CC=C(C=C1)C(O)=O HMDB0029635 [1,0,0,0,0,0|2,0,1]=4 16 B10R1.13 [C@@H]1(CC=C(C)C=C1)C(C)C HMDB0035851 [1,0,0,0,0,0|0,0,2]=3 17 B10R1.13 [C@H]1(CC=C(C)C=C1)C(C)C HMDB0034970 [1,0,0,0,0,0|0,0,2]=3 18 B10R1.113 CC(C)C1=CC=CC(C)=C1 HMDB0037051 [1,0,0,0,0,0|1,0,0]=2 19 B10R1.176 CCC1=CC(O)=C(O)C=C1 HMDB0040174 [1,0,0,0,0,0|1,0,0]=2 20 B10R1.176 CCC1=CC=C(O)C(C)=C1 HMDB0038984 [1,0,0,0,0,0|2,0,0]=3 21 B10R1.176 CCC1=CN=C(C)C(C)=N1 HMDB0029727 [1,0,0,0,0,0|3,0,0]=4 22 B12R1.232 CC(C)C1=CC(=O)C(C)=CC1=O HMDB0034732 [0,1,0,0,0,0|0,0,1]=2 23 B12R1.367 NCC(O)C1=CC(O)=C(O)C=C1 HMDB0037685 [0,1,0,0,0,0|2,0,0]=3 24 B10R0.98 CC(C)=CC/C=C(\C)C(O)=O HMDB0035135 [0,0,1,0,0,0|1,0,2]=4 25 B10R1.58 CC(C)C1=NC(C)=C(C)O1 HMDB0037871 [0,0,0,0,1,0|3,0,0]=4 26 B10R1.58 CC(C)C1=NC(C)=C(C)S1 HMDB0040074 [0,0,0,0,1,0|3,0,0]=4 27 B10R1.194 CC(C)C1=CCC(C)C1=O HMDB0036069 [0,0,0,0,1,0|0,0,3]=4 28 B12R1.19 CC(=O)CC1=CC(O)=C(O)C=C1 HMDB0031132 [0,0,0,0,0,1|2,0,1]=4 29 B12R1.1021 CC(C)C1=CC(=O)C(O)=CC=C1 HMDB0035213 [0,0,0,0,0,1|1,0,1]=3 30 B9R0.1 CC(C)=CC/C=C(/C)C=C HMDB0030088 [1,0,1,0,0,0|0,0,2]=4 31 B9R0.1 CC(C)=CC/C=C(\C)C=C HMDB0030089 [1,0,1,0,0,0|0,0,2]=4 32 B9R1.1 CC1=CC=C(C=O)C=C1 HMDB0029638 [2,0,0,0,0,0|1,0,1]=4 33 B9R1.1 CC1=CC=C(CO)C=C1 HMDB0041609 [2,0,0,0,0,0|1,0,0]=3 34 B9R1.1 CCC1=CC=C(O)C=C1 HMDB0029306 [2,0,0,0,0,0|1,0,0]=3 35 B9R1.1 CCC1=CN=C(C)C=C1 HMDB0029729 [2,0,0,0,0,0|1,0,0]=3 36 B9R1.1 CCC1=NC=C(C)C=C1 HMDB0040041 [2,0,0,0,0,0|1,0,0]=3 37 B9R1.1 CCC1=NC=C(C)N=C1 HMDB0041568 [2,0,0,0,0,0|2,0,0]=4 38 B9R1.1 COC1=CC=C(C)C=C1 HMDB0032076 [2,0,0,0,0,0|1,0,0]=3 39 B9R1.1 COC1=CC=C(N)C=C1 HMDB0029300 [2,0,0,0,0,0|2,0,0]=4 40 B9R1.1 COC1=CC=C(O)C=C1 HMDB0029696 [2,0,0,0,0,0|2,0,0]=4 41 B9R1.1 NCC1=CC=C(O)C=C1 HMDB0032578 [2,0,0,0,0,0|2,0,0]=4 42 B9R1.6 CC(=O)C1=CC=CC=C1 HMDB0033910 [2,0,0,0,0,0|1,0,1]=4 43 B9R1.6 CC(C)C1=CC=CC=C1 HMDB0034029 [2,0,0,0,0,0|0,0,0]=2 44 B9R1.6 CC(C)C1=CN=CC=N1 HMDB0041570 [2,0,0,0,0,0|2,0,0]=4 45 B9R1.6 CC(O)C1=CC=CC=C1 HMDB0032619 [2,0,0,0,0,0|1,0,0]=3 46 B9R1.6 CC(S)C1=CC=CC=C1 HMDB0032467 [2,0,0,0,0,0|1,0,0]=3 47 B9R1.69 CC1=C(N)C=C(N)C=C1 HMDB0041799 [2,0,0,0,0,0|2,0,0]=4 48 B9R1.69 CC1=CC(O)=C(C)C=C1 HMDB0030540 [2,0,0,0,0,0|0,0,0]=2 49 B9R1.69 CC1=CC=C(O)C=C1C HMDB0032151 [2,0,0,0,0,0|2,0,0]=4 50 B9R1.69 OC1=CC(=N)C=CC1=O HMDB0031713 [2,0,0,0,0,0|2,0,0]=4 51 B11R1.3 CC(C)C1=CC=C(CO)C=C1 HMDB0031817 [1,1,0,0,0,0|0,0,0]=2 52 B11R1.3 COC1=CC=C(C=C1)C(C)=O HMDB0032570 [1,1,0,0,0,0|1,0,1]=4 53 B11R1.3 COC1=NC=C(N=C1)C(C)C HMDB0040052 [1,1,0,0,0,0|2,0,0]=4 54 B11R1.19 CC(C)(C)C1=CC=C(O)C=C1 HMDB0032063 [1,1,0,0,0,0|1,0,0]=3 55 B11R1.19 CC1=CC=C(C=C1)C(C)(C)O HMDB0029652 [1,1,0,0,0,0|0,0,0]=2 56 B11R1.22 CC(C=O)C1=CC=C(C)C=C1 HMDB0033382 [1,1,0,0,0,0|0,0,1]=3 57 B11R1.22 CC(CO)C1=CC=C(C)C=C1 HMDB0034846 [1,1,0,0,0,0|0,0,0]=2 58 B11R1.166 CC(=O)C1=C(C)C=C(C)C=C1 HMDB0032140 [1,1,0,0,0,0|1,0,1]=4 59 B11R1.74 CC(=O)C1=CC(O)=CC(O)=C1 HMDB0029662 [1,1,0,0,0,0|1,0,1]=4 60 B11R1.159 CC(=O)C1=C(O)C(O)=CC=C1 HMDB0029658 [1,1,0,0,0,0|1,0,1]=4 61 B11R1.167 CC(=O)C1=C(O)C=CC(O)=C1 HMDB0032629 [1,1,0,0,0,0|1,0,1]=4 62 B11R1.167 CC(C)C1=C(O)C=CC(O)=C1 HMDB0032132 [1,1,0,0,0,0|0,0,0]=2 63 B11R1.266 COC1=CN=CC(=N1)C(C)C HMDB0040053 [1,1,0,0,0,0|2,0,0]=4 64 B11R1.280 CCC1=CC(OC)=C(O)C=C1 HMDB0040175 [1,1,0,0,0,0|1,0,0]=3 65 B11R1.280 COC1=C(O)C=CC(CO)=C1 HMDB0032012 [1,1,0,0,0,0|2,0,0]=4 66 B13R1.120 CC(C)C1=CC(O)=C(C=C1)C(C)C HMDB0032579 [0,2,0,0,0,0|0,0,0]=2 67 B13R1.3088 COC1=C(O)C=C(C=C1)C(O)CO HMDB0035056 [0,2,0,0,0,0|1,0,0]=3 68 B13R1.354 CCOC1=C(C)C=CC(=C1)C(C)C HMDB0037272 [0,2,0,0,0,0|0,0,0]=2 69 B9R1.35 CC(C)C1=CC=C(C)O1 HMDB0033238 [1,0,0,0,1,0|1,0,0]=3 70 B9R1.35 CC(C)C1=CSC(C)=N1 HMDB0040100 [1,0,0,0,1,0|2,0,0]=4 71 B9R1.35 CC(C)C1=NC(C)=CS1 HMDB0037156 [1,0,0,0,1,0|2,0,0]=4 72 B11R1.20 CC(=O)OC1=CC=C(C)C=C1 HMDB0032075 [1,0,0,0,0,1|1,0,1]=4