0 B10R1.119 CC1=C(C)C(O)=C(C)C=C1 HMDB0029667 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.119 CN1C=CC(=O)N(C)C1=O HMDB0002144 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.3 CC1=C(C)C(O)=CC=C1 HMDB0032148 [1,0,0,0,0,0|1,0,0]=2 3 B9R1.3 CC1=C(O)C(=O)C=CO1 HMDB0030776 [1,0,0,0,0,0|1,0,0]=2 4 B9R1.3 CC1=CC=CC(C)=C1O HMDB0032150 [1,0,0,0,0,0|2,0,0]=3 5 B9R1.3 CC1=CC=CC(C)=C1S HMDB0032019 [1,0,0,0,0,0|2,1,0]=4 6 B9R1.3 OC1=C(Br)C=CC=C1Br HMDB0032080 [1,0,0,0,0,0|3,0,0]=4 7 B9R1.3 OC1=CC=CC(O)=C1O HMDB0013674 [1,0,0,0,0,0|2,0,1]=4 8 B9R1.69 CC1=CC(C)=C(C)C=C1 HMDB0013733 [1,0,0,0,0,0|2,0,0]=3 9 B9R1.69 CC1=CC(O)=C(C)C=C1 HMDB0030540 [1,0,0,0,0,0|2,0,0]=3 10 B9R1.69 CC1=CC=C(O)C(O)=C1 HMDB0000873 [1,0,0,0,0,0|1,0,1]=3 11 B9R1.69 CC1=CC=C(O)C=C1C HMDB0032151 [1,0,0,0,0,0|1,0,1]=3 12 B9R1.69 OC1=C(O)C=C(Cl)C=C1 HMDB0041810 [1,0,0,0,0,0|2,0,1]=4 13 B9R1.69 OC1=CC(=N)C=CC1=O HMDB0031713 [1,0,0,0,0,0|2,0,0]=3 14 B11R1.72 CC1=C(C)C(C=O)=C(C)C=C1 HMDB0032014 [0,1,0,0,0,0|2,0,1]=4 15 B9R1.37 CC1OC(=O)C(O)=C1C HMDB0031306 [0,0,0,0,1,0|2,0,0]=3 16 B8R1.4 CC1=CC(C)=NC=C1 HMDB0032244 [2,0,0,0,0,0|1,0,1]=4 17 B8R1.4 CC1=CC=CC(O)=C1 HMDB0002048 [2,0,0,0,0,0|1,0,0]=3 18 B8R1.4 O=C1NC=CC(=O)N1 HMDB0000300 [2,0,0,0,0,0|2,0,0]=4 19 B8R1.4 OC1=CC(O)=CC=C1 HMDB0032037 [2,0,0,0,0,0|2,0,0]=4 20 B8R1.5 CC1=C(S)C=CC=C1 HMDB0029634 [2,0,0,0,0,0|1,1,0]=4 21 B8R1.5 O=C1C=CC=CC1=O HMDB0012133 [2,0,0,0,0,0|1,0,1]=4 22 B8R1.5 OC1=CC=CC=C1Br HMDB0032059 [2,0,0,0,0,0|2,0,0]=4 23 B8R1.5 OC1=CC=CC=C1O HMDB0000957 [2,0,0,0,0,0|1,0,1]=4 24 B8R1.3 CC1=CC=C(C)C=C1 HMDB0031461 [2,0,0,0,0,0|2,0,0]=4 25 B8R1.3 CC1=CC=C(O)C=C1 HMDB0001858 [2,0,0,0,0,0|1,0,1]=4 26 B8R1.3 O=C1C=CC(=O)C=C1 HMDB0003364 [2,0,0,0,0,0|2,0,0]=4 27 B10R1.2 CCC1=C(O)C(=O)C=CO1 HMDB0031735 [1,1,0,0,0,0|1,0,0]=3 28 B10R1.22 CC1=CC(C)=C(O)C(C)=C1 HMDB0032544 [1,1,0,0,0,0|2,0,0]=4 29 B10R1.22 CC1=CC(O)=CC(C)=C1O HMDB0032137 [1,1,0,0,0,0|2,0,0]=4 30 B10R1.25 CC1=CC(C)=C(C=O)C=C1 HMDB0032142 [1,1,0,0,0,0|2,0,0]=4 31 B10R1.25 CC1=CC(O)=C(C=O)C=C1 HMDB0032603 [1,1,0,0,0,0|1,0,0]=3 32 B10R1.25 COC1=C(C)C=C(C)C=C1 HMDB0032149 [1,1,0,0,0,0|2,0,0]=4 33 B10R1.30 COC1=C(O)C=CC(C)=C1 HMDB0032136 [1,1,0,0,0,0|1,0,1]=4 34 B10R1.30 COC1=CC(=O)C=CC1=O HMDB0032576 [1,1,0,0,0,0|2,0,0]=4 35 B10R1.176 NCC1=CC=C(O)C(O)=C1 HMDB0012153 [1,1,0,0,0,0|1,0,1]=4 36 B10R1.34 CCC1CC(=O)C(O)=C1C HMDB0039673 [0,1,0,0,1,0|1,0,1]=4 37 B10R1.191 CC1C(C)C(=O)C(O)=C1C HMDB0039652 [0,1,0,0,1,0|1,0,1]=4 38 B10R1.256 CCC1=C(O)C(=O)CC1C HMDB0036176 [0,1,0,0,1,0|1,0,1]=4 39 B10R1.271 CC1=C(O)C(=O)CC1(C)C HMDB0040526 [0,1,0,0,1,0|1,0,1]=4 40 B8R1.50 CC1=C(O)C(=O)CO1 HMDB0031859 [1,0,0,0,1,0|1,0,1]=4