0 B10R1.1 C/C=C\C1=CC=C(O)C=C1 HMDB0030839 [0,0,0,0,0,0|0,0,2]=2 1 B10R1.1 CC1=CC=C(CC=O)C=C1 HMDB0029639 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.1 CCCC1=CC=C(O)C=C1 HMDB0032625 [0,0,0,0,0,0|0,0,2]=2 3 B10R1.1 CCOC1=CC=C(O)C=C1 HMDB0032036 [0,0,0,0,0,0|1,0,2]=3 4 B10R1.1 NCCC1=CC=C(O)C=C1 HMDB0000306 [0,0,0,0,0,0|1,0,1]=2 5 B10R1.1 OC1=CC=C(CC#N)C=C1 HMDB0029757 [0,0,0,0,0,0|1,0,1]=2 6 B10R1.1 OC1=CC=C(CC=O)C=C1 HMDB0003767 [0,0,0,0,0,0|1,0,0]=1 7 B10R1.1 OCCC1=CC=C(O)C=C1 HMDB0004284 [0,0,0,0,0,0|1,0,1]=2 8 B9R1.1 CC1=CC=C(C=O)C=C1 HMDB0029638 [1,0,0,0,0,0|2,0,0]=3 9 B9R1.1 CCC1=CC=C(O)C=C1 HMDB0029306 [1,0,0,0,0,0|0,0,1]=2 10 B9R1.1 CCC1=CN=C(C)C=C1 HMDB0029729 [1,0,0,0,0,0|2,0,1]=4 11 B9R1.1 COC1=CC=C(C)C=C1 HMDB0032076 [1,0,0,0,0,0|2,0,1]=4 12 B9R1.1 COC1=CC=C(N)C=C1 HMDB0029300 [1,0,0,0,0,0|2,0,1]=4 13 B9R1.1 COC1=CC=C(O)C=C1 HMDB0029696 [1,0,0,0,0,0|1,0,1]=3 14 B9R1.1 NCC1=CC=C(O)C=C1 HMDB0032578 [1,0,0,0,0,0|1,0,0]=2 15 B9R1.1 OC1=CC=C(C=C)C=C1 HMDB0004072 [1,0,0,0,0,0|0,0,0]=1 16 B9R1.1 OC1=CC=C(C=O)C=C1 HMDB0011718 [1,0,0,0,0,0|1,0,0]=2 17 B9R1.1 OCC1=CC=C(O)C=C1 HMDB0011724 [1,0,0,0,0,0|1,0,0]=2 18 B9R1.8 C=CSC1=CC=CC=C1 HMDB0031825 [1,0,0,0,0,0|1,0,0]=2 19 B9R1.8 CCCC1=CC=CC=N1 HMDB0032497 [1,0,0,0,0,0|1,0,2]=4 20 B9R1.8 CSCC1=CC=CC=C1 HMDB0031314 [1,0,0,0,0,0|1,0,1]=3 21 B9R1.8 NCCC1=CC=CC=C1 HMDB0012275 [1,0,0,0,0,0|1,0,1]=3 22 B9R1.8 O=CCC1=CC=CC=C1 HMDB0006236 [1,0,0,0,0,0|1,0,0]=2 23 B9R1.8 SCCC1=CC=CC=C1 HMDB0032637 [1,0,0,0,0,0|1,0,1]=3 24 B11R1.1 CC1=CC=C(/C=C/C=O)C=C1 HMDB0029640 [0,1,0,0,0,0|1,0,1]=3 25 B11R1.1 CNCCC1=CC=C(O)C=C1 HMDB0003633 [0,1,0,0,0,0|0,0,2]=3 26 B11R1.1 OC/C=C/C1=CC=C(O)C=C1 HMDB0003654 [0,1,0,0,0,0|0,0,2]=3 27 B11R1.1 OC1=CC=C(CN=C=S)C=C1 HMDB0032580 [0,1,0,0,0,0|1,0,1]=3 28 B11R1.1 OCCCC1=CC=C(O)C=C1 HMDB0032599 [0,1,0,0,0,0|0,0,2]=3 29 B11R1.20 CC(=O)OC1=CC=C(C)C=C1 HMDB0032075 [0,1,0,0,0,0|2,0,1]=4 30 B11R1.22 CC(C=O)C1=CC=C(C)C=C1 HMDB0033382 [0,1,0,0,0,0|2,0,0]=3 31 B11R1.22 CC(CO)C1=CC=C(C)C=C1 HMDB0034846 [0,1,0,0,0,0|2,0,1]=4 32 B11R1.22 COC(=O)C1=CC=C(O)C=C1 HMDB0032572 [0,1,0,0,0,0|1,0,2]=4 33 B11R1.22 NC[C@H](O)C1=CC=C(O)C=C1 HMDB0004825 [0,1,0,0,0,0|1,0,1]=3 34 B11R1.22 OCC(=O)C1=CC=C(O)C=C1 HMDB0029657 [0,1,0,0,0,0|1,0,2]=4 35 B11R1.83 CCCC1=CC=C(OC)C=C1 HMDB0032626 [0,1,0,0,0,0|0,0,2]=3 36 B11R1.83 COC1=CC=C(/C=C\C)C=C1 HMDB0030837 [0,1,0,0,0,0|0,0,2]=3 37 B11R1.192 NCCC1=CC(=O)C(=O)C=C1 HMDB0012219 [0,1,0,0,0,0|1,0,2]=4 38 B11R1.192 NCCC1=CC(O)=C(O)C=C1 HMDB0000073 [0,1,0,0,0,0|1,0,1]=3 39 B11R1.192 OC1=C(O)C=C(CC=O)C=C1 HMDB0003791 [0,1,0,0,0,0|1,0,0]=2 40 B8R1.2 C=CC1=CC=CC=C1 HMDB0032178 [2,0,0,0,0,0|0,0,0]=2 41 B8R1.2 CCC1=CC=CN=C1 HMDB0029734 [2,0,0,0,0,0|1,0,1]=4 42 B8R1.2 O=CC1=CC=CC=C1 HMDB0006115 [2,0,0,0,0,0|1,0,0]=3 43 B8R1.2 SCC1=CC=CC=C1 HMDB0029633 [2,0,0,0,0,0|1,0,0]=3 44 B8R1.3 CC1=CC=C(C)C=C1 HMDB0031461 [2,0,0,0,0,0|1,0,0]=3 45 B8R1.3 CC1=CC=C(O)C=C1 HMDB0001858 [2,0,0,0,0,0|0,0,0]=2 46 B8R1.3 NC1=CC=C(O)C=C1 HMDB0001169 [2,0,0,0,0,0|1,0,0]=3 47 B8R1.3 O=C1C=CC(=O)C=C1 HMDB0003364 [2,0,0,0,0,0|1,0,1]=4 48 B10R1.3 CCC1=CC=C(C=O)C=C1 HMDB0032024 [1,1,0,0,0,0|0,0,2]=4 49 B10R1.3 COC1=CC=C(C=O)C=C1 HMDB0029686 [1,1,0,0,0,0|1,0,0]=3 50 B10R1.3 COC1=CC=C(OC)C=C1 HMDB0029671 [1,1,0,0,0,0|1,0,1]=4 51 B10R1.3 OCC1=CC=C(C=C1)[N+]#N HMDB0032593 [1,1,0,0,0,0|2,0,0]=4 52 B10R1.13 CC(=C)C1=CC=C(C)C=C1 HMDB0029641 [1,1,0,0,0,0|1,0,0]=3 53 B10R1.13 CC(=O)C1=CC=C(C)C=C1 HMDB0032608 [1,1,0,0,0,0|1,0,1]=4 54 B10R1.13 CC(C)C1=CC=C(O)C=C1 HMDB0031446 [1,1,0,0,0,0|0,0,1]=3 55 B10R1.13 CC1=CC=C(C=C1)C(O)=O HMDB0029635 [1,1,0,0,0,0|2,0,0]=4 56 B10R1.13 NC1=CC=C(C=C1)C(O)=O HMDB0001392 [1,1,0,0,0,0|2,0,0]=4 57 B10R1.13 OC(=O)C1=CC=C(O)C=C1 HMDB0000500 [1,1,0,0,0,0|1,0,0]=3 58 B10R1.13 OC(=O)C1=CN=C(O)C=C1 HMDB0002658 [1,1,0,0,0,0|2,0,0]=4 59 B10R1.13 OC1=CC=C(C=C1)[N+]([O-])=O HMDB0001232 [1,1,0,0,0,0|2,0,0]=4 60 B10R1.25 CC1=CC(C)=C(C=O)C=C1 HMDB0032142 [1,1,0,0,0,0|2,0,0]=4 61 B10R1.25 CC1=CC(O)=C(C=O)C=C1 HMDB0032603 [1,1,0,0,0,0|2,0,0]=4 62 B10R1.176 NCC1=CC=C(O)C(O)=C1 HMDB0012153 [1,1,0,0,0,0|1,0,0]=3 63 B10R1.4 CCCC1=CC=CC=C1C HMDB0032627 [1,1,0,0,0,0|0,0,2]=4 64 B10R1.4 CCCC1=CC=CC=C1O HMDB0032624 [1,1,0,0,0,0|0,0,2]=4 65 B10R1.10 NCCC1=CC(O)=CC=C1 HMDB0004989 [1,1,0,0,0,0|1,0,1]=4 66 B10R1.15 CC(C=O)C1=CC=CC=C1 HMDB0031626 [1,1,0,0,0,0|1,0,0]=3 67 B10R1.15 CC(CO)C1=CC=CC=C1 HMDB0031628 [1,1,0,0,0,0|1,0,1]=4 68 B10R1.15 CCC(O)C1=CC=CC=C1 HMDB0031627 [1,1,0,0,0,0|0,0,2]=4 69 B10R1.15 NCC(O)C1=CC=CC=C1 HMDB0001065 [1,1,0,0,0,0|1,0,1]=4 70 B10R1.17 CCOCC1=CC=CC=C1 HMDB0031312 [1,1,0,0,0,0|0,0,2]=4 71 B10R1.17 COCCC1=CC=CC=C1 HMDB0032621 [1,1,0,0,0,0|0,0,2]=4 72 B10R1.17 O=C/C=C\C1=CC=CC=C1 HMDB0032072 [1,1,0,0,0,0|0,0,1]=3 73 B10R1.17 OC/C=C/C1=CC=CC=C1 HMDB0029698 [1,1,0,0,0,0|0,0,2]=4 74 B10R1.17 OCC=CC1=CC=CC=C1 HMDB0029697 [1,1,0,0,0,0|0,0,2]=4 75 B10R1.18 CC(=O)NC1=CC=CC=C1 HMDB0001250 [1,1,0,0,0,0|1,0,1]=4 76 B10R1.18 NC(=O)CC1=CC=CC=C1 HMDB0010715 [1,1,0,0,0,0|1,0,0]=3 77 B10R1.18 OC(=O)CC1=CC=CC=C1 HMDB0000209 [1,1,0,0,0,0|1,0,0]=3 78 B10R1.18 OC(=O)CC1=CN=CC=C1 HMDB0001538 [1,1,0,0,0,0|2,0,0]=4 79 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 HMDB0004826 [0,2,0,0,0,0|0,0,2]=4 80 B12R1.21 OC(=O)/C=C/C1=CC=C(O)C=C1 HMDB0002035 [0,2,0,0,0,0|0,0,1]=3 81 B12R1.21 OC(=O)/C=C\C1=CC=C(O)C=C1 HMDB0030677 [0,2,0,0,0,0|0,0,1]=3 82 B12R1.21 OC(=O)CCC1=CC=C(O)C=C1 HMDB0002199 [0,2,0,0,0,0|0,0,1]=3 83 B12R1.49 CC(CC1=CC=C(C)C=C1)C=O HMDB0031856 [0,2,0,0,0,0|1,0,1]=4 84 B12R1.71 COC1=CC=C(/C=C/C=O)C=C1 HMDB0032611 [0,2,0,0,0,0|0,0,1]=3 85 B12R1.71 COC1=CC=C(/C=C/CO)C=C1 HMDB0032586 [0,2,0,0,0,0|0,0,2]=4 86 B12R1.71 COC1=CC=C(CN=C=S)C=C1 HMDB0032581 [0,2,0,0,0,0|1,0,1]=4 87 B12R1.385 CNCCC1=CC(O)=C(O)C=C1 HMDB0032020 [0,2,0,0,0,0|0,0,2]=4 88 B12R1.385 CNCCC1=CC(O)=C(O)C=C1 HMDB0041888 [0,2,0,0,0,0|0,0,2]=4 89 B12R1.4 COC1=CC=C(CC(O)=O)C=C1 HMDB0002072 [0,2,0,0,0,0|1,0,0]=3 90 B12R1.19 CC(=O)CC1=CC(O)=C(O)C=C1 HMDB0031132 [0,2,0,0,0,0|0,0,1]=3 91 B12R1.19 OC(=O)CC1=CC(O)=C(O)C=C1 HMDB0001336 [0,2,0,0,0,0|1,0,0]=3 92 B12R1.20 OC(C(O)=O)C1=CC=C(O)C=C1 HMDB0000822 [0,2,0,0,0,0|1,0,0]=3 93 B12R1.367 NC[C@H](O)C1=CC(O)=C(O)C=C1 HMDB0000216 [0,2,0,0,0,0|1,0,1]=4 94 B12R1.367 OC(C=O)C1=CC(O)=C(O)C=C1 HMDB0006242 [0,2,0,0,0,0|1,0,0]=3 95 B12R1.367 OCC(O)C1=CC(O)=C(O)C=C1 HMDB0000318 [0,2,0,0,0,0|1,0,1]=4 96 B12R1.1123 NCCC1=C(O)C=C(O)C(O)=C1 HMDB0001537 [0,2,0,0,0,0|1,0,1]=4 97 B12R1.113 CC(C)C1=CC=C(CC=O)C=C1 HMDB0041493 [0,2,0,0,0,0|2,0,0]=4 98 B12R1.288 COC1=C(O)C=C(CCN)C=C1 HMDB0012162 [0,2,0,0,0,0|1,0,1]=4 99 B12R1.44 NCCC1=CC(O)=C(O)C(O)=C1 HMDB0004817 [0,2,0,0,0,0|1,0,1]=4 100 B12R1.286 CCCC1=CC(OC)=C(O)C=C1 HMDB0032135 [0,2,0,0,0,0|0,0,2]=4 101 B12R1.286 COC1=C(O)C=CC(CC=O)=C1 HMDB0005175 [0,2,0,0,0,0|1,0,0]=3 102 B12R1.286 COC1=C(O)C=CC(CCN)=C1 HMDB0000022 [0,2,0,0,0,0|1,0,1]=4 103 B10R2.7 C1=CC=C2C(OCC2)=C1 HMDB0013815 [1,0,0,1,0,0|1,0,1]=4 104 B10R2.7 N1C=CC2=C1C=CC=C2 HMDB0000738 [1,0,0,1,0,0|1,0,0]=3 105 B12R2.24 OC1=CC2=CC=CC=C2C=C1 HMDB0012322 [0,1,0,1,0,0|0,0,1]=3 106 B12R2.24 SC1=CC2=C(C=CC=C2)C=C1 HMDB0029689 [0,1,0,1,0,0|0,1,1]=4 107 B12R2.100 O=C1C=C2NC=CC2=CC1=O HMDB0006779 [0,1,0,1,0,0|1,0,1]=4 108 B12R2.100 OC1=C(O)C=C2C=CNC2=C1 HMDB0004058 [0,1,0,1,0,0|1,0,0]=3 109 B12R2.100 OC1=C(O)C=C2NCCC2=C1 HMDB0012992 [0,1,0,1,0,0|1,0,1]=4