0 B10R1.30 COC1=C(O)C=CC(C)=C1 HMDB0032136 [0,0,0,0,0,0|0,0,0]=0 1 B10R1.30 COC1=CC(=O)C=CC1=O HMDB0032576 [0,0,0,0,0,0|1,0,1]=2 2 B10R1.30 OC1=CC(C=O)=C(O)C=C1 HMDB0004062 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.2 CC1=CC(C=O)=CC=C1 HMDB0029637 [1,0,0,0,0,0|2,0,0]=3 4 B9R1.2 COC1=NC=CC(N)=N1 HMDB0004339 [1,0,0,0,0,0|3,0,0]=4 5 B9R1.15 CC1=CC=CC=C1C=O HMDB0029636 [1,0,0,0,0,0|3,0,0]=4 6 B9R1.15 COC1=C(C)N=CC=N1 HMDB0031852 [1,0,0,0,0,0|3,0,0]=4 7 B9R1.15 COC1=C(O)C=CC=C1 HMDB0001398 [1,0,0,0,0,0|0,0,0]=1 8 B9R1.15 COC1=CC=CC=C1C HMDB0032074 [1,0,0,0,0,0|1,0,0]=2 9 B9R1.15 COC1=CC=CC=C1S HMDB0032571 [1,0,0,0,0,0|0,1,0]=2 10 B9R1.69 CC1=CC(C)=C(C)C=C1 HMDB0013733 [1,0,0,0,0,0|1,0,0]=2 11 B9R1.69 CC1=CC(O)=C(C)C=C1 HMDB0030540 [1,0,0,0,0,0|1,0,0]=2 12 B9R1.69 CC1=CC=C(O)C(O)=C1 HMDB0000873 [1,0,0,0,0,0|0,0,0]=1 13 B9R1.69 CC1=CC=C(O)C=C1C HMDB0032151 [1,0,0,0,0,0|2,0,0]=3 14 B9R1.69 CC1=NC(C)=C(C)N=C1 HMDB0031844 [1,0,0,0,0,0|3,0,0]=4 15 B9R1.69 OC1=C(Br)C=C(Br)C=C1 HMDB0032079 [1,0,0,0,0,0|2,0,0]=3 16 B9R1.69 OC1=C(O)C=C(Cl)C=C1 HMDB0041810 [1,0,0,0,0,0|1,0,0]=2 17 B9R1.69 OC1=CC(=N)C=CC1=O HMDB0031713 [1,0,0,0,0,0|1,0,1]=3 18 B9R1.69 OC1=CC=C(Cl)C=C1Cl HMDB0004811 [1,0,0,0,0,0|2,0,0]=3 19 B11R1.72 CC1=C(C)C(C=O)=C(C)C=C1 HMDB0032014 [0,1,0,0,0,0|3,0,0]=4 20 B11R1.167 CC(=O)C1=C(O)C=CC(C)=C1 HMDB0032592 [0,1,0,0,0,0|1,0,0]=2 21 B11R1.167 CC(=O)C1=C(O)C=CC(O)=C1 HMDB0032629 [0,1,0,0,0,0|2,0,0]=3 22 B11R1.167 CC(C)C1=C(O)C=CC(O)=C1 HMDB0032132 [0,1,0,0,0,0|2,0,0]=3 23 B11R1.167 OC(=O)C1=C(O)C=CC(O)=C1 HMDB0000152 [0,1,0,0,0,0|3,0,0]=4 24 B11R1.277 CC1=CC(C)=C(C=O)C=C1C HMDB0032015 [0,1,0,0,0,0|3,0,0]=4 25 B11R1.280 COC1=C(O)C=CC(CO)=C1 HMDB0032012 [0,1,0,0,0,0|0,0,0]=1 26 B11R1.280 COC1=CC(C=C)=CC=C1O HMDB0013744 [0,1,0,0,0,0|0,0,1]=2 27 B11R1.280 COC1=CC(C=O)=CC=C1O HMDB0012308 [0,1,0,0,0,0|0,0,1]=2 28 B11R1.280 COC1=CC(CN)=CC=C1O HMDB0012309 [0,1,0,0,0,0|0,0,0]=1 29 B8R0.6 COC(=O)/C=C/C=C/C HMDB0029582 [1,0,1,0,0,0|1,0,0]=3 30 B8R0.7 CC/C=C/C=C/C(C)=O HMDB0032446 [1,0,1,0,0,0|2,0,0]=4 31 B8R1.2 C=CC1=CC=CC=C1 HMDB0032178 [2,0,0,0,0,0|1,0,1]=4 32 B8R1.2 CCC1=CC=CN=C1 HMDB0029734 [2,0,0,0,0,0|2,0,0]=4 33 B8R1.2 O=CC1=CC=CC=C1 HMDB0006115 [2,0,0,0,0,0|2,0,0]=4 34 B8R1.2 SCC1=CC=CC=C1 HMDB0029633 [2,0,0,0,0,0|2,0,0]=4 35 B8R1.4 CC1=CC(C)=NC=C1 HMDB0032244 [2,0,0,0,0,0|1,0,0]=3 36 B8R1.4 CC1=CC=CC(O)=C1 HMDB0002048 [2,0,0,0,0,0|0,0,0]=2 37 B8R1.4 OC1=CC(O)=CC=C1 HMDB0032037 [2,0,0,0,0,0|1,0,0]=3 38 B8R1.5 CC1=C(S)C=CC=C1 HMDB0029634 [2,0,0,0,0,0|0,1,0]=3 39 B8R1.5 O=C1C=CC=CC1=O HMDB0012133 [2,0,0,0,0,0|0,0,2]=4 40 B8R1.5 OC1=CC=CC=C1Br HMDB0032059 [2,0,0,0,0,0|1,0,0]=3 41 B8R1.5 OC1=CC=CC=C1O HMDB0000957 [2,0,0,0,0,0|0,0,0]=2 42 B8R1.5 O[C@@H]1C=CC=C[C@H]1O HMDB0001164 [2,0,0,0,0,0|0,0,2]=4 43 B8R1.3 CC1=CC=C(C)C=C1 HMDB0031461 [2,0,0,0,0,0|1,0,0]=3 44 B8R1.3 CC1=CC=C(O)C=C1 HMDB0001858 [2,0,0,0,0,0|0,0,0]=2 45 B8R1.3 NC1=CC=C(O)C=C1 HMDB0001169 [2,0,0,0,0,0|1,0,0]=3 46 B8R1.3 O=C1C=CC(=O)C=C1 HMDB0003364 [2,0,0,0,0,0|1,0,1]=4 47 B10R1.10 NCCC1=CC(O)=CC=C1 HMDB0004989 [1,1,0,0,0,0|2,0,0]=4 48 B10R1.172 COC1=CC(C=O)=CC=C1 HMDB0031459 [1,1,0,0,0,0|0,0,1]=3 49 B10R1.172 COC1=CC(OC)=CC=C1 HMDB0029672 [1,1,0,0,0,0|0,0,0]=2 50 B10R1.4 CCCC1=CC=CC=C1C HMDB0032627 [1,1,0,0,0,0|2,0,0]=4 51 B10R1.4 CCCC1=CC=CC=C1O HMDB0032624 [1,1,0,0,0,0|1,0,0]=3 52 B10R1.20 COC1=CC=CC=C1OC HMDB0032139 [1,1,0,0,0,0|0,0,0]=2 53 B10R1.25 CC1=CC(O)=C(C=O)C=C1 HMDB0032603 [1,1,0,0,0,0|2,0,0]=4 54 B10R1.25 COC1=C(C)C=C(C)C=C1 HMDB0032149 [1,1,0,0,0,0|1,0,0]=3 55 B10R1.61 CC(=O)C1=CC=CC=C1N HMDB0032630 [1,1,0,0,0,0|2,0,0]=4 56 B10R1.61 CC(=O)C1=CC=CC=C1O HMDB0032568 [1,1,0,0,0,0|1,0,0]=3 57 B10R1.61 CC(C)C1=CC=CC=C1O HMDB0032029 [1,1,0,0,0,0|1,0,0]=3 58 B10R1.22 CC1=CC(C)=C(O)C(C)=C1 HMDB0032544 [1,1,0,0,0,0|0,0,0]=2 59 B10R1.22 CC1=CC(O)=CC(C)=C1O HMDB0032137 [1,1,0,0,0,0|1,0,0]=3 60 B10R1.22 OC1=C(Br)C=C(Br)C=C1Br HMDB0029642 [1,1,0,0,0,0|2,0,0]=4 61 B10R1.119 CC1=C(C)C(O)=C(C)C=C1 HMDB0029667 [1,1,0,0,0,0|1,0,0]=3 62 B10R1.59 CC(=O)C1=C(O)C=C(C)S1 HMDB0032334 [0,1,0,0,1,0|2,0,0]=4 63 B12R1.235 COC1=CC(=O)C=C(OC)C1=O HMDB0029673 [0,2,0,0,0,0|1,0,1]=4 64 B12R1.235 COC1=CC(C)=CC(OC)=C1Cl HMDB0029674 [0,2,0,0,0,0|1,0,0]=3 65 B12R1.235 COC1=CC(C)=CC(OC)=C1O HMDB0029680 [0,2,0,0,0,0|0,0,0]=2 66 B12R1.57 COC1=C(C=CC(C)=C1)C(C)C HMDB0035989 [0,2,0,0,0,0|1,0,0]=3 67 B12R1.78 COC1=C(OC)C=C(C=O)C=C1 HMDB0032138 [0,2,0,0,0,0|0,0,1]=3 68 B12R1.98 COC1=C(Cl)C=C(Cl)C(Cl)=C1Cl HMDB0029627 [0,2,0,0,0,0|2,0,0]=4 69 B12R1.128 CC(C)(C)C1=CC(O)=CC=C1O HMDB0032062 [0,2,0,0,0,0|2,0,0]=4 70 B12R1.270 CCOC1=C(O)C=CC(C=O)=C1 HMDB0029665 [0,2,0,0,0,0|0,0,1]=3 71 B12R1.374 CCCCC1=C(O)C=CC(C)=C1 HMDB0032060 [0,2,0,0,0,0|1,0,0]=3 72 B12R1.1123 NCCC1=C(O)C=C(O)C(O)=C1 HMDB0001537 [0,2,0,0,0,0|2,0,0]=4 73 B12R1.286 CCCC1=CC(OC)=C(O)C=C1 HMDB0032135 [0,2,0,0,0,0|0,0,0]=2 74 B12R1.286 COC1=C(O)C=CC(CC=O)=C1 HMDB0005175 [0,2,0,0,0,0|0,0,0]=2 75 B12R1.286 COC1=C(O)C=CC(CCN)=C1 HMDB0000022 [0,2,0,0,0,0|0,0,0]=2 76 B10R2.7 C1=CC=C2C(OCC2)=C1 HMDB0013815 [1,0,0,1,0,0|1,0,0]=3 77 B8R1.1 CCC1=CC=C(C)O1 HMDB0029728 [1,0,0,0,1,0|2,0,0]=4 78 B8R1.1 CCC1=CC=C(C)S1 HMDB0029733 [1,0,0,0,1,0|2,0,0]=4 79 B8R1.18 CC1=CC(C)=C(C)O1 HMDB0029721 [1,0,0,0,1,0|2,0,0]=4 80 B8R1.50 CN1C(C)=CC=C1C HMDB0029722 [1,0,0,0,1,0|2,0,0]=4