0 B10R1.1 C/C=C\C1=CC=C(O)C=C1 HMDB0030839 [0,0,0,0,0,0|1,0,1]=2 1 B10R1.1 CC1=CC=C(CC=O)C=C1 HMDB0029639 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.1 CCCC1=CC=C(O)C=C1 HMDB0032625 [0,0,0,0,0,0|1,0,0]=1 3 B10R1.1 CCOC1=CC=C(O)C=C1 HMDB0032036 [0,0,0,0,0,0|0,0,0]=0 4 B10R1.1 NCCC1=CC=C(O)C=C1 HMDB0000306 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.1 OC1=CC=C(CC#N)C=C1 HMDB0029757 [0,0,0,0,0,0|2,0,1]=3 6 B10R1.1 OC1=CC=C(CC=O)C=C1 HMDB0003767 [0,0,0,0,0,0|2,0,1]=3 7 B10R1.1 OCCC1=CC=C(O)C=C1 HMDB0004284 [0,0,0,0,0,0|2,0,0]=2 8 B9R1.1 CC1=CC=C(C=O)C=C1 HMDB0029638 [1,0,0,0,0,0|2,0,1]=4 9 B9R1.1 CCC1=CC=C(O)C=C1 HMDB0029306 [1,0,0,0,0,0|0,0,0]=1 10 B9R1.1 CCC1=CN=C(C)C=C1 HMDB0029729 [1,0,0,0,0,0|2,0,0]=3 11 B9R1.1 COC1=CC=C(C)C=C1 HMDB0032076 [1,0,0,0,0,0|1,0,0]=2 12 B9R1.1 COC1=CC=C(N)C=C1 HMDB0029300 [1,0,0,0,0,0|1,0,0]=2 13 B9R1.1 COC1=CC=C(O)C=C1 HMDB0029696 [1,0,0,0,0,0|0,0,0]=1 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|0,0,2]=3 16 B9R1.1 OC1=CC=C(C=O)C=C1 HMDB0011718 [1,0,0,0,0,0|1,0,1]=3 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|0,1,2]=4 19 B9R1.8 CCCC1=CC=CC=N1 HMDB0032497 [1,0,0,0,0,0|2,0,0]=3 20 B9R1.8 CSCC1=CC=CC=C1 HMDB0031314 [1,0,0,0,0,0|2,0,0]=3 21 B9R1.8 NCCC1=CC=CC=C1 HMDB0012275 [1,0,0,0,0,0|2,0,0]=3 22 B9R1.8 O=CCC1=CC=CC=C1 HMDB0006236 [1,0,0,0,0,0|2,0,1]=4 23 B9R1.8 SCCC1=CC=CC=C1 HMDB0032637 [1,0,0,0,0,0|2,0,0]=3 24 B11R1.1 CNCCC1=CC=C(O)C=C1 HMDB0003633 [0,1,0,0,0,0|1,0,0]=2 25 B11R1.1 OC/C=C/C1=CC=C(O)C=C1 HMDB0003654 [0,1,0,0,0,0|1,0,1]=3 26 B11R1.1 OC1=CC=C(CN=C=S)C=C1 HMDB0032580 [0,1,0,0,0,0|2,0,1]=4 27 B11R1.1 OCCCC1=CC=C(O)C=C1 HMDB0032599 [0,1,0,0,0,0|1,0,0]=2 28 B11R1.20 CC(=O)OC1=CC=C(C)C=C1 HMDB0032075 [0,1,0,0,0,0|1,0,1]=3 29 B11R1.22 CC(CO)C1=CC=C(C)C=C1 HMDB0034846 [0,1,0,0,0,0|3,0,0]=4 30 B11R1.22 COC(=O)C1=CC=C(O)C=C1 HMDB0032572 [0,1,0,0,0,0|2,0,0]=3 31 B11R1.22 NC[C@H](O)C1=CC=C(O)C=C1 HMDB0004825 [0,1,0,0,0,0|2,0,0]=3 32 B11R1.22 OCC(=O)C1=CC=C(O)C=C1 HMDB0029657 [0,1,0,0,0,0|2,0,0]=3 33 B11R1.83 CCCC1=CC=C(OC)C=C1 HMDB0032626 [0,1,0,0,0,0|1,0,0]=2 34 B11R1.83 COC1=CC=C(/C=C\C)C=C1 HMDB0030837 [0,1,0,0,0,0|1,0,1]=3 35 B11R1.192 NCCC1=CC(=O)C(=O)C=C1 HMDB0012219 [0,1,0,0,0,0|2,0,1]=4 36 B11R1.192 NCCC1=CC(O)=C(O)C=C1 HMDB0000073 [0,1,0,0,0,0|2,0,0]=3 37 B11R1.192 OC1=C(O)C=C(CC=O)C=C1 HMDB0003791 [0,1,0,0,0,0|2,0,1]=4 38 B9R0.48 CCOC(=O)/C=C\C(O)=O HMDB0040207 [0,0,1,0,0,0|2,0,0]=3 39 B8R0.4 CCC/C=C/C=C/C=O HMDB0031686 [1,0,1,0,0,0|2,0,0]=4 40 B8R0.6 CC/C=C/CC(=O)C=C HMDB0032447 [1,0,1,0,0,0|0,0,2]=4 41 B8R0.6 CC/C=C/CC(O)C=C HMDB0030966 [1,0,1,0,0,0|0,0,2]=4 42 B8R0.9 COC(=O)/C=C\C(O)=O HMDB0033809 [1,0,1,0,0,0|2,0,0]=4 43 B8R1.2 C=CC1=CC=CC=C1 HMDB0032178 [2,0,0,0,0,0|0,0,2]=4 44 B8R1.2 CCC1=CC=CN=C1 HMDB0029734 [2,0,0,0,0,0|1,0,0]=3 45 B8R1.2 CCC1=CN=CC=N1 HMDB0031849 [2,0,0,0,0,0|2,0,0]=4 46 B8R1.2 O=CC1=CC=CC=C1 HMDB0006115 [2,0,0,0,0,0|1,0,1]=4 47 B8R1.2 SCC1=CC=CC=C1 HMDB0029633 [2,0,0,0,0,0|1,0,0]=3 48 B8R1.3 CC1=CC=C(C)C=C1 HMDB0031461 [2,0,0,0,0,0|1,0,0]=3 49 B8R1.3 CC1=CC=C(O)C=C1 HMDB0001858 [2,0,0,0,0,0|0,0,0]=2 50 B8R1.3 NC1=CC=C(O)C=C1 HMDB0001169 [2,0,0,0,0,0|1,0,0]=3 51 B8R1.3 O=C1C=CC(=O)C=C1 HMDB0003364 [2,0,0,0,0,0|0,0,2]=4 52 B10R1.3 CCC1=CC=C(C=O)C=C1 HMDB0032024 [1,1,0,0,0,0|0,0,1]=3 53 B10R1.3 COC1=CC=C(C=O)C=C1 HMDB0029686 [1,1,0,0,0,0|0,0,1]=3 54 B10R1.3 COC1=CC=C(OC)C=C1 HMDB0029671 [1,1,0,0,0,0|0,0,0]=2 55 B10R1.3 OCC1=CC=C(C=C1)[N+]#N HMDB0032593 [1,1,0,0,0,0|2,0,0]=4 56 B10R1.13 CC(=C)C1=CC=C(C)C=C1 HMDB0029641 [1,1,0,0,0,0|1,0,1]=4 57 B10R1.13 CC(=O)C1=CC=C(C)C=C1 HMDB0032608 [1,1,0,0,0,0|1,0,1]=4 58 B10R1.13 CC(C)C1=CC=C(O)C=C1 HMDB0031446 [1,1,0,0,0,0|0,0,0]=2 59 B10R1.13 OC(=O)C1=CC=C(O)C=C1 HMDB0000500 [1,1,0,0,0,0|1,0,1]=4 60 B10R1.13 OC1=CC=C(C=C1)[N+]([O-])=O HMDB0001232 [1,1,0,0,0,0|2,0,0]=4 61 B10R1.25 COC1=C(C)C=C(C)C=C1 HMDB0032149 [1,1,0,0,0,0|1,0,0]=3 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|1,0,0]=3 64 B10R1.4 CCCC1=CC=CC=C1O HMDB0032624 [1,1,0,0,0,0|1,0,0]=3 65 B10R1.4 CCOC1=C(C)N=CC=N1 HMDB0031850 [1,1,0,0,0,0|2,0,0]=4 66 B10R1.10 NCCC1=CC(O)=CC=C1 HMDB0004989 [1,1,0,0,0,0|2,0,0]=4 67 B10R1.15 CC(CO)C1=CC=CC=C1 HMDB0031628 [1,1,0,0,0,0|2,0,0]=4 68 B10R1.15 CCC(=O)C1=CC=CC=C1 HMDB0032623 [1,1,0,0,0,0|1,0,0]=3 69 B10R1.15 CCC(O)C1=CC=CC=C1 HMDB0031627 [1,1,0,0,0,0|1,0,0]=3 70 B10R1.15 CSC(=O)C1=CC=CC=C1 HMDB0029694 [1,1,0,0,0,0|2,0,0]=4 71 B10R1.15 NCC(=O)C1=CC=CC=C1 HMDB0032628 [1,1,0,0,0,0|2,0,0]=4 72 B10R1.15 NCC(O)C1=CC=CC=C1 HMDB0001065 [1,1,0,0,0,0|2,0,0]=4 73 B10R1.17 CCOCC1=CC=CC=C1 HMDB0031312 [1,1,0,0,0,0|0,0,0]=2 74 B10R1.17 COCCC1=CC=CC=C1 HMDB0032621 [1,1,0,0,0,0|1,0,0]=3 75 B10R1.17 OC/C=C/C1=CC=CC=C1 HMDB0029698 [1,1,0,0,0,0|1,0,1]=4 76 B10R1.17 OCC=CC1=CC=CC=C1 HMDB0029697 [1,1,0,0,0,0|1,0,1]=4 77 B10R1.18 CC(=O)NC1=CC=CC=C1 HMDB0001250 [1,1,0,0,0,0|1,0,1]=4 78 B12R1.16 CCOC(=O)C1=CC=C(O)C=C1 HMDB0032573 [0,2,0,0,0,0|0,0,0]=2 79 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 HMDB0004826 [0,2,0,0,0,0|1,0,0]=3 80 B12R1.21 OC(=O)CCC1=CC=C(O)C=C1 HMDB0002199 [0,2,0,0,0,0|1,0,1]=4 81 B12R1.49 CC(CC1=CC=C(C)C=C1)C=O HMDB0031856 [0,2,0,0,0,0|2,0,0]=4 82 B12R1.71 COC1=CC=C(/C=C/CO)C=C1 HMDB0032586 [0,2,0,0,0,0|1,0,1]=4 83 B12R1.385 CNCCC1=CC(O)=C(O)C=C1 HMDB0032020 [0,2,0,0,0,0|1,0,0]=3 84 B12R1.385 CNCCC1=CC(O)=C(O)C=C1 HMDB0041888 [0,2,0,0,0,0|1,0,0]=3 85 B12R1.19 CC(=O)CC1=CC(O)=C(O)C=C1 HMDB0031132 [0,2,0,0,0,0|1,0,1]=4 86 B12R1.5 COC(=O)C1=CC=C(OC)C=C1 HMDB0032639 [0,2,0,0,0,0|2,0,0]=4 87 B12R1.367 NC[C@H](O)C1=CC(O)=C(O)C=C1 HMDB0000216 [0,2,0,0,0,0|2,0,0]=4 88 B12R1.367 OCC(O)C1=CC(O)=C(O)C=C1 HMDB0000318 [0,2,0,0,0,0|2,0,0]=4 89 B12R1.1123 NCCC1=C(O)C=C(O)C(O)=C1 HMDB0001537 [0,2,0,0,0,0|2,0,0]=4 90 B12R1.288 COC1=C(O)C=C(CCN)C=C1 HMDB0012162 [0,2,0,0,0,0|2,0,0]=4 91 B12R1.44 NCCC1=CC(O)=C(O)C(O)=C1 HMDB0004817 [0,2,0,0,0,0|2,0,0]=4 92 B12R1.286 CCCC1=CC(OC)=C(O)C=C1 HMDB0032135 [0,2,0,0,0,0|1,0,0]=3 93 B12R1.286 COC1=C(O)C=CC(CCN)=C1 HMDB0000022 [0,2,0,0,0,0|2,0,0]=4 94 B10R2.7 C1=CC=C2C(OCC2)=C1 HMDB0013815 [1,0,0,1,0,0|0,0,0]=2 95 B12R2.100 OC1=C(O)C=C2NCCC2=C1 HMDB0012992 [0,1,0,1,0,0|1,0,0]=3 96 B8R1.1 CCC1=CC=C(C)O1 HMDB0029728 [1,0,0,0,1,0|2,0,0]=4 97 B8R1.1 CCC1=CC=C(C)S1 HMDB0029733 [1,0,0,0,1,0|2,0,0]=4