0 B9R1.69 CC1=C(N)C=C(N)C=C1 HMDB0041799 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.69 CC1=CC(O)=C(C)C=C1 HMDB0030540 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.69 CC1=CC=C(O)C=C1C HMDB0032151 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.69 CC1=NC(C)=C(C)N=C1 HMDB0031844 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.69 OC1=C(Br)C=C(Br)C=C1 HMDB0032079 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.69 OC1=CC(=N)C=CC1=O HMDB0031713 [0,0,0,0,0,0|2,0,0]=2 6 B8R1.3 CC1=CC=C(C)C=C1 HMDB0031461 [1,0,0,0,0,0|2,0,0]=3 7 B8R1.3 CC1=CN=C(C)C=N1 HMDB0035289 [1,0,0,0,0,0|2,0,1]=4 8 B8R1.4 CC1=CC(C)=NC=C1 HMDB0032244 [1,0,0,0,0,0|3,0,0]=4 9 B8R1.4 CC1=CC=CC(C)=N1 HMDB0032972 [1,0,0,0,0,0|3,0,0]=4 10 B8R1.4 CC1=CN=CC(C)=N1 HMDB0035248 [1,0,0,0,0,0|2,0,1]=4 11 B8R1.4 OC1=CC(O)=CC=C1 HMDB0032037 [1,0,0,0,0,0|2,0,0]=3 12 B8R1.5 CC1=C(S)C=CC=C1 HMDB0029634 [1,0,0,0,0,0|2,1,0]=4 13 B8R1.5 OC1=CC=CC=C1Br HMDB0032059 [1,0,0,0,0,0|2,0,0]=3 14 B8R1.5 OC1=CC=COC1=O HMDB0032994 [1,0,0,0,0,0|1,0,0]=2 15 B10R1.22 CC1=CC(C)=C(O)C(C)=C1 HMDB0032544 [0,1,0,0,0,0|2,0,1]=4 16 B10R1.25 CC1=CC(C)=C(C=O)C=C1 HMDB0032142 [0,1,0,0,0,0|2,0,0]=3 17 B10R1.25 CC1=CC(O)=C(C=O)C=C1 HMDB0032603 [0,1,0,0,0,0|1,0,0]=2 18 B10R1.25 CCC1=C(O)C=C(C)C=C1 HMDB0038987 [0,1,0,0,0,0|2,0,0]=3 19 B10R1.25 COC1=C(C)C=C(C)C=C1 HMDB0032149 [0,1,0,0,0,0|2,0,1]=4 20 B10R1.30 CCC1=C(O)C=CC(C)=C1 HMDB0038988 [0,1,0,0,0,0|2,0,1]=4 21 B10R1.30 COC1=C(O)C=CC(C)=C1 HMDB0032136 [0,1,0,0,0,0|1,0,1]=3 22 B10R1.30 COC1=CC(=O)C=CC1=O HMDB0032576 [0,1,0,0,0,0|2,0,0]=3 23 B10R1.119 CC1=C(C)C(O)=C(C)C=C1 HMDB0029667 [0,1,0,0,0,0|2,0,0]=3 24 B10R1.119 CC1=C(O)C(=O)C(O)=CO1 HMDB0032988 [0,1,0,0,0,0|3,0,0]=4 25 B10R1.176 CCC1=CC(O)=C(O)C=C1 HMDB0040174 [0,1,0,0,0,0|1,0,1]=3 26 B10R1.176 CCC1=CC=C(O)C(C)=C1 HMDB0038984 [0,1,0,0,0,0|2,0,1]=4 27 B8R0.9 CC(=O)/C=C/C(=O)C=O HMDB0032651 [0,0,1,0,0,0|2,0,1]=4 28 B8R1.18 CC1=CC(C)=C(C)O1 HMDB0029721 [0,0,0,0,1,0|3,0,0]=4 29 B8R1.18 CC1=CC(S)=C(C)O1 HMDB0040197 [0,0,0,0,1,0|2,1,0]=4 30 B8R1.18 CC1OC(=O)C(C)=C1 HMDB0039778 [0,0,0,0,1,0|2,0,1]=4 31 B8R1.18 CC1OC(C)=CC1=O HMDB0032233 [0,0,0,0,1,0|2,0,1]=4 32 B8R1.50 CC1=C(O)C(=N)CC1 HMDB0039584 [0,0,0,0,1,0|2,0,1]=4 33 B8R1.50 CC1=C(O)C(=O)CO1 HMDB0031859 [0,0,0,0,1,0|2,0,0]=3 34 B8R1.50 CC1=C(O)C(=O)CS1 HMDB0033548 [0,0,0,0,1,0|2,0,0]=3 35 B8R1.50 CC1=C(S)C(=O)CS1 HMDB0039828 [0,0,0,0,1,0|2,1,0]=4 36 B8R1.50 OC1=C(O)C(=O)C=C1 HMDB0039437 [0,0,0,0,1,0|2,0,0]=3 37 B7R0.1 O=C/C=C/C=C\C=O HMDB0031180 [1,0,1,0,0,0|1,0,1]=4 38 B7R0.5 CCOC(=O)C(O)=C HMDB0031643 [1,0,1,0,0,0|1,0,1]=4 39 B7R0.4 C/C=C/C=C/C(O)=O HMDB0029581 [1,0,1,0,0,0|2,0,0]=4 40 B7R1.3 CC1=CC=CC=C1 HMDB0034168 [2,0,0,0,0,0|1,0,0]=3 41 B7R1.3 CC1=CC=CCC1 HMDB0031532 [2,0,0,0,0,0|1,0,1]=4 42 B7R1.3 CC1=CCCC=C1 HMDB0032395 [2,0,0,0,0,0|1,0,1]=4 43 B7R1.3 CC1=CN=CC=N1 HMDB0033112 [2,0,0,0,0,0|1,0,1]=4 44 B7R1.3 SC1=CC=CC=C1 HMDB0033746 [2,0,0,0,0,0|1,1,0]=4 45 B9R1.1 CC1=CC=C(C=O)C=C1 HMDB0029638 [1,1,0,0,0,0|1,0,0]=3 46 B9R1.1 CC1=CC=C(CO)C=C1 HMDB0041609 [1,1,0,0,0,0|1,0,1]=4 47 B9R1.1 CCC1=CC=C(O)C=C1 HMDB0029306 [1,1,0,0,0,0|1,0,1]=4 48 B9R1.1 CCC1=CN=C(C)C=C1 HMDB0029729 [1,1,0,0,0,0|1,0,1]=4 49 B9R1.1 CCC1=NC=C(C)C=C1 HMDB0040041 [1,1,0,0,0,0|1,0,1]=4 50 B9R1.1 COC1=CC=C(C)C=C1 HMDB0032076 [1,1,0,0,0,0|1,0,1]=4 51 B9R1.1 COC1=CC=C(N)C=C1 HMDB0029300 [1,1,0,0,0,0|2,0,0]=4 52 B9R1.1 COC1=CC=C(O)C=C1 HMDB0029696 [1,1,0,0,0,0|1,0,1]=4 53 B9R1.1 NCC1=CC=C(O)C=C1 HMDB0032578 [1,1,0,0,0,0|1,0,1]=4 54 B9R1.2 CC1=CC(C=O)=CC=C1 HMDB0029637 [1,1,0,0,0,0|1,0,1]=4 55 B9R1.2 COC1=CN=CC(C)=N1 HMDB0040143 [1,1,0,0,0,0|1,0,1]=4 56 B9R1.3 CC1=C(C)C(O)=CC=C1 HMDB0032148 [1,1,0,0,0,0|1,0,0]=3 57 B9R1.3 CC1=CC=CC(C)=C1O HMDB0032150 [1,1,0,0,0,0|2,0,0]=4 58 B9R1.3 CC1=CC=CC(C)=C1S HMDB0032019 [1,1,0,0,0,0|2,0,0]=4 59 B9R1.15 CC1=CC=CC=C1C=O HMDB0029636 [1,1,0,0,0,0|2,0,0]=4 60 B9R1.15 COC1=CC=CC=C1C HMDB0032074 [1,1,0,0,0,0|2,0,0]=4 61 B9R1.15 COC1=CC=CC=C1S HMDB0032571 [1,1,0,0,0,0|1,1,0]=4 62 B9R1.15 CSC1=CC=CC=C1O HMDB0041281 [1,1,0,0,0,0|1,1,0]=4 63 B9R1.15 OC1=C(COC=C1)C=O HMDB0031256 [1,1,0,0,0,0|2,0,0]=4 64 B9R1.15 OC1=CC=CC=C1C=O HMDB0034170 [1,1,0,0,0,0|1,0,0]=3 65 B9R1.37 CC1OC(=O)C(O)=C1C HMDB0031306 [0,1,0,0,1,0|1,0,1]=4 66 B9R1.132 CCC1=C(O)C(=O)CC1 HMDB0031223 [0,1,0,0,1,0|1,0,1]=4 67 B9R1.132 CCC1=C(O)C(=O)CO1 HMDB0031847 [0,1,0,0,1,0|2,0,0]=4 68 B11R1.464 CC1=CC(C)=C(C=O)C(C)=C1 HMDB0032016 [0,2,0,0,0,0|2,0,0]=4 69 B11R1.166 CC(=O)C1=C(C)C=C(C)C=C1 HMDB0032140 [0,2,0,0,0,0|2,0,0]=4 70 B11R1.166 CC(=O)C1=C(O)C=C(O)C=C1 HMDB0029659 [0,2,0,0,0,0|2,0,0]=4 71 B11R1.166 OC(=O)C1=C(O)C=C(O)C=C1 HMDB0029666 [0,2,0,0,0,0|2,0,0]=4 72 B11R1.277 CC1=CC(C)=C(C=O)C=C1C HMDB0032015 [0,2,0,0,0,0|2,0,0]=4 73 B11R1.280 CCC1=CC(OC)=C(O)C=C1 HMDB0040175 [0,2,0,0,0,0|1,0,1]=4 74 B11R1.280 COC1=C(O)C=CC(CO)=C1 HMDB0032012 [0,2,0,0,0,0|1,0,1]=4 75 B11R1.21 CC(=O)C1=CC(O)=C(O)C=C1 HMDB0029661 [0,2,0,0,0,0|1,0,1]=4 76 B11R1.21 CC(C)C1=CC(O)=C(C)C=C1 HMDB0035770 [0,2,0,0,0,0|2,0,0]=4 77 B7R1.2 CC1=CC(=O)CC1 HMDB0031546 [1,0,0,0,1,0|0,0,2]=4 78 B7R1.2 CC1=CC(C)=CO1 HMDB0032965 [1,0,0,0,1,0|2,0,0]=4 79 B7R1.2 CC1=CC(C)=CS1 HMDB0032978 [1,0,0,0,1,0|2,0,0]=4 80 B7R1.2 CC1=CC(S)=CO1 HMDB0039798 [1,0,0,0,1,0|1,1,0]=4 81 B7R1.2 CC1=CC(S)=CS1 HMDB0039788 [1,0,0,0,1,0|1,1,0]=4 82 B7R1.2 CC1=CC=C(C)N1 HMDB0032973 [1,0,0,0,1,0|1,0,0]=3 83 B7R1.2 CC1=CC=C(C)O1 HMDB0033182 [1,0,0,0,1,0|2,0,0]=4 84 B7R1.2 CC1=CC=C(C)S1 HMDB0032979 [1,0,0,0,1,0|2,0,0]=4 85 B7R1.2 CC1OC(=O)C=C1 HMDB0029609 [1,0,0,0,1,0|1,0,1]=4 86 B7R1.4 CC1=CSC=C1C HMDB0032980 [1,0,0,0,1,0|2,0,0]=4