0 B11R1.21 CC(=O)C1=CC(O)=C(O)C=C1 HMDB0029661 [0,0,0,0,0,0|1,0,0]=1 1 B11R1.21 CC(C)C1=CC(O)=C(C)C=C1 HMDB0035770 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.21 OC(=O)C1=CC(O)=C(O)C=C1 HMDB0001856 [0,0,0,0,0,0|0,0,0]=0 3 B10R1.13 CC(=C)C1=CC=C(C)C=C1 HMDB0029641 [1,0,0,0,0,0|3,0,0]=4 4 B10R1.13 CC(=O)C1=CC=C(C)C=C1 HMDB0032608 [1,0,0,0,0,0|2,0,0]=3 5 B10R1.13 CC(=O)C1=NC=C(C)C=C1 HMDB0040222 [1,0,0,0,0,0|3,0,0]=4 6 B10R1.13 CC(C)C1=CC=C(O)C=C1 HMDB0031446 [1,0,0,0,0,0|2,0,1]=4 7 B10R1.13 CC(O)C1=CC=C(C)C=C1 HMDB0034378 [1,0,0,0,0,0|2,0,1]=4 8 B10R1.13 CC1=CC=C(C=C1)C(O)=O HMDB0029635 [1,0,0,0,0,0|1,0,0]=2 9 B10R1.113 CC(=O)C1=CC=CC(C)=N1 HMDB0037072 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.113 CC(=O)C1=CC=NC(C)=C1 HMDB0040223 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.113 CC(=O)C1=NC=CC(C)=C1 HMDB0037071 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.113 C[N+]1=CC(=CC=C1)C([O-])=O HMDB0000875 [1,0,0,0,0,0|2,0,1]=4 13 B10R1.176 CCC1=CC(O)=C(O)C=C1 HMDB0040174 [1,0,0,0,0,0|1,0,1]=3 14 B10R1.176 CCC1=CC=C(O)C(C)=C1 HMDB0038984 [1,0,0,0,0,0|2,0,1]=4 15 B10R1.176 OCC1=CC(=O)C(O)=CO1 HMDB0032923 [1,0,0,0,0,0|1,0,2]=4 16 B12R1.56 COC1=C(O)C=CC(=C1)C(O)=O HMDB0000484 [0,1,0,0,0,0|0,0,0]=1 17 B12R1.367 NCC(O)C1=CC(O)=C(O)C=C1 HMDB0037685 [0,1,0,0,0,0|1,0,1]=3 18 B10R0.93 OC(=O)C(=C)CC(=O)C(O)=O HMDB0037759 [0,0,1,0,0,0|1,0,2]=4 19 B12R1.19 CC(=O)CC1=CC(O)=C(O)C=C1 HMDB0031132 [0,0,0,0,0,1|1,0,0]=2 20 B9R0.55 OC(=O)/C=C/C=C/C(O)=O HMDB0002349 [1,0,1,0,0,0|1,0,0]=3 21 B9R0.55 OC(=O)/C=C\C=C/C(O)=O HMDB0006331 [1,0,1,0,0,0|1,0,0]=3 22 B9R1.1 CC1=CC=C(C=O)C=C1 HMDB0029638 [2,0,0,0,0,0|1,0,0]=3 23 B9R1.1 CC1=CC=C(CO)C=C1 HMDB0041609 [2,0,0,0,0,0|1,0,1]=4 24 B9R1.1 CCC1=CC=C(O)C=C1 HMDB0029306 [2,0,0,0,0,0|1,0,1]=4 25 B9R1.1 COC1=CC=C(O)C=C1 HMDB0029696 [2,0,0,0,0,0|2,0,0]=4 26 B9R1.1 NCC1=CC=C(O)C=C1 HMDB0032578 [2,0,0,0,0,0|1,0,1]=4 27 B9R1.6 CC(=O)C1=CC=CC=C1 HMDB0033910 [2,0,0,0,0,0|1,0,0]=3 28 B9R1.6 CC(=O)C1=CC=CC=N1 HMDB0035281 [2,0,0,0,0,0|2,0,0]=4 29 B9R1.6 CC(=O)C1=CN=CC=C1 HMDB0033131 [2,0,0,0,0,0|2,0,0]=4 30 B9R1.6 CC(O)C1=CC=CC=C1 HMDB0032619 [2,0,0,0,0,0|1,0,1]=4 31 B9R1.6 OC(=O)C1=CC=CC=C1 HMDB0001870 [2,0,0,0,0,0|0,0,0]=2 32 B9R1.6 OC(=O)C1=CN=CC=C1 HMDB0001488 [2,0,0,0,0,0|1,0,0]=3 33 B9R1.2 CC1=CC(C=O)=CC=C1 HMDB0029637 [2,0,0,0,0,0|1,0,0]=3 34 B9R1.69 CC1=CC(O)=C(C)C=C1 HMDB0030540 [2,0,0,0,0,0|1,0,1]=4 35 B9R1.69 CC1=CC=C(O)C=C1C HMDB0032151 [2,0,0,0,0,0|2,0,0]=4 36 B9R1.69 OC1=C(Br)C=C(Br)C=C1 HMDB0032079 [2,0,0,0,0,0|2,0,0]=4 37 B9R1.69 OC1=CC(=N)C=CC1=O HMDB0031713 [2,0,0,0,0,0|1,0,1]=4 38 B11R1.3 COC1=CC=C(C=C1)C(C)=O HMDB0032570 [1,1,0,0,0,0|1,0,0]=3 39 B11R1.22 COC(=O)C1=CC=C(O)C=C1 HMDB0032572 [1,1,0,0,0,0|0,0,0]=2 40 B11R1.22 OCC(=O)C1=CC=C(O)C=C1 HMDB0029657 [1,1,0,0,0,0|0,0,0]=2 41 B11R1.166 CC(=O)C1=C(C)C=C(C)C=C1 HMDB0032140 [1,1,0,0,0,0|2,0,0]=4 42 B11R1.166 CC(=O)C1=C(O)C=C(O)C=C1 HMDB0029659 [1,1,0,0,0,0|1,0,0]=3 43 B11R1.166 OC(=O)C1=C(O)C=C(O)C=C1 HMDB0029666 [1,1,0,0,0,0|0,0,0]=2 44 B11R1.74 CC(=O)C1=CC(O)=CC(O)=C1 HMDB0029662 [1,1,0,0,0,0|1,0,0]=3 45 B11R1.159 CC(=O)C1=C(O)C(O)=CC=C1 HMDB0029658 [1,1,0,0,0,0|1,0,0]=3 46 B11R1.167 CC(=O)C1=C(O)C=CC(C)=C1 HMDB0032592 [1,1,0,0,0,0|2,0,0]=4 47 B11R1.167 CC(=O)C1=C(O)C=CC(O)=C1 HMDB0032629 [1,1,0,0,0,0|1,0,0]=3 48 B11R1.266 COC1=CC=CC(=C1)C(O)=O HMDB0032606 [1,1,0,0,0,0|0,0,0]=2 49 B11R1.14 CC1=CC(C=O)=CC(C)=C1C HMDB0032017 [1,1,0,0,0,0|2,0,0]=4 50 B11R1.277 CC1=CC(C)=C(C=O)C=C1C HMDB0032015 [1,1,0,0,0,0|2,0,0]=4 51 B11R1.280 CCC1=CC(OC)=C(O)C=C1 HMDB0040175 [1,1,0,0,0,0|1,0,1]=4 52 B11R1.280 COC1=C(O)C=CC(CO)=C1 HMDB0032012 [1,1,0,0,0,0|0,0,1]=3 53 B13R1.3088 COC1=C(O)C=C(C=C1)C(O)CO HMDB0035056 [0,2,0,0,0,0|0,0,2]=4 54 B11R1.53 OCC1=CC=CC=C1C(O)=O HMDB0032594 [0,0,1,1,0,0|1,0,1]=4 55 B13R2.430 OC(=O)C1=CC2=C(OCO2)C=C1 HMDB0032613 [0,1,0,1,0,0|0,0,0]=2 56 B9R1.35 OC(=O)C1=CC(O)=CN1 HMDB0034368 [1,0,0,0,1,0|1,0,0]=3 57 B11R1.20 CC(=O)OC1=CC=C(C)C=C1 HMDB0032075 [1,0,0,0,0,1|2,0,0]=4 58 B11R1.20 OC(=O)CC1=CC=C(O)C=C1 HMDB0000020 [1,0,0,0,0,1|0,0,0]=2