0 B11R1.3 CC(=C)C1=CC=C(C=O)C=C1 HMDB0035925 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.3 CC(C)C1=CC=C(CO)C=C1 HMDB0031817 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.3 COC1=CC=C(C=C1)C(C)=O HMDB0032570 [0,0,0,0,0,0|0,0,0]=0 3 B11R1.3 COC1=NC=C(N=C1)C(C)C HMDB0040052 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.3 CCC1=CC=C(C=O)C=C1 HMDB0032024 [1,0,0,0,0,0|1,0,0]=2 5 B10R1.3 COC1=CC=C(C=O)C=C1 HMDB0029686 [1,0,0,0,0,0|0,0,0]=1 6 B10R1.3 COC1=CC=C(CO)C=C1 HMDB0034241 [1,0,0,0,0,0|0,0,2]=3 7 B10R1.3 COC1=CC=C(OC)C=C1 HMDB0029671 [1,0,0,0,0,0|1,0,0]=2 8 B10R1.13 CC(=C)C1=CC=C(C)C=C1 HMDB0029641 [1,0,0,0,0,0|1,0,0]=2 9 B10R1.13 CC(=C)C1=CC=C(C)CC1 HMDB0037013 [1,0,0,0,0,0|1,0,2]=4 10 B10R1.13 CC(=O)C1=CC=C(C)C=C1 HMDB0032608 [1,0,0,0,0,0|0,0,0]=1 11 B10R1.13 CC(=O)C1=NC=C(C)C=C1 HMDB0040222 [1,0,0,0,0,0|1,0,0]=2 12 B10R1.13 CC(C)C1=CC=C(O)C=C1 HMDB0031446 [1,0,0,0,0,0|1,0,1]=3 13 B10R1.13 CC(O)C1=CC=C(C)C=C1 HMDB0034378 [1,0,0,0,0,0|0,0,2]=3 14 B10R1.13 CC1=CC=C(C=C1)C(O)=O HMDB0029635 [1,0,0,0,0,0|1,0,0]=2 15 B12R1.5 COC(=O)C1=CC=C(OC)C=C1 HMDB0032639 [0,1,0,0,0,0|0,0,0]=1 16 B12R1.256 CC(C)C1=CC=C(C=C1)C(C)=O HMDB0032025 [0,1,0,0,0,0|1,0,0]=2 17 B12R1.256 CC(C)C1=CC=C(C=C1)C(O)=O HMDB0035268 [0,1,0,0,0,0|2,0,0]=3 18 B12R1.4 COC1=CC=C(CC(C)=O)C=C1 HMDB0032891 [0,0,0,0,0,1|0,0,0]=1 19 B9R0.1 CC(C)=CC/C=C(/C)C=C HMDB0030088 [1,0,1,0,0,0|1,0,1]=4 20 B9R0.1 CC(C)=CC/C=C(\C)C=C HMDB0030089 [1,0,1,0,0,0|1,0,1]=4 21 B9R1.1 CC1=CC=C(C=O)C=C1 HMDB0029638 [2,0,0,0,0,0|0,0,0]=2 22 B9R1.1 CC1=CC=C(CO)C=C1 HMDB0041609 [2,0,0,0,0,0|0,0,2]=4 23 B9R1.1 CCC1=CC=C(O)C=C1 HMDB0029306 [2,0,0,0,0,0|0,0,1]=3 24 B9R1.1 CCC1=CN=C(C)C=C1 HMDB0029729 [2,0,0,0,0,0|1,0,1]=4 25 B9R1.1 CCC1=NC=C(C)C=C1 HMDB0040041 [2,0,0,0,0,0|1,0,1]=4 26 B9R1.1 COC1=CC=C(C)C=C1 HMDB0032076 [2,0,0,0,0,0|0,0,0]=2 27 B9R1.1 COC1=CC=C(N)C=C1 HMDB0029300 [2,0,0,0,0,0|1,0,0]=3 28 B9R1.1 COC1=CC=C(O)C=C1 HMDB0029696 [2,0,0,0,0,0|0,0,1]=3 29 B9R1.1 COC1=NC=C(C)N=C1 HMDB0040141 [2,0,0,0,0,0|2,0,0]=4 30 B9R1.1 NCC1=CC=C(O)C=C1 HMDB0032578 [2,0,0,0,0,0|1,0,1]=4 31 B9R1.6 CC(=O)C1=CC=CC=C1 HMDB0033910 [2,0,0,0,0,0|0,0,0]=2 32 B9R1.6 CC(=O)C1=CC=CC=N1 HMDB0035281 [2,0,0,0,0,0|1,0,0]=3 33 B9R1.6 CC(=O)C1=CN=CC=C1 HMDB0033131 [2,0,0,0,0,0|1,0,0]=3 34 B9R1.6 CC(=O)C1=CN=CC=N1 HMDB0031861 [2,0,0,0,0,0|2,0,0]=4 35 B9R1.6 CC(C)C1=CC=CC=C1 HMDB0034029 [2,0,0,0,0,0|1,0,1]=4 36 B9R1.6 CC(O)C1=CC=CC=C1 HMDB0032619 [2,0,0,0,0,0|0,0,2]=4 37 B9R1.6 CC(S)C1=CC=CC=C1 HMDB0032467 [2,0,0,0,0,0|0,1,1]=4 38 B9R1.6 OC(=O)C1=CC=CC=C1 HMDB0001870 [2,0,0,0,0,0|1,0,0]=3 39 B9R1.6 OC(=O)C1=CN=CC=C1 HMDB0001488 [2,0,0,0,0,0|2,0,0]=4 40 B11R1.83 CCCC1=CC=C(OC)C=C1 HMDB0032626 [1,1,0,0,0,0|0,0,1]=3 41 B11R1.83 CCOC1=CC=C(C=O)C=C1 HMDB0033970 [1,1,0,0,0,0|0,0,0]=2 42 B11R1.83 COC1=CC=C(/C=C\C)C=C1 HMDB0030837 [1,1,0,0,0,0|0,0,0]=2 43 B11R1.83 COC1=CC=C(CC=C)C=C1 HMDB0034121 [1,1,0,0,0,0|0,0,1]=3 44 B11R1.19 CC(C)(C)C1=CC=C(O)C=C1 HMDB0032063 [1,1,0,0,0,0|1,0,1]=4 45 B11R1.19 CC1=CC=C(C=C1)C(C)(C)O HMDB0029652 [1,1,0,0,0,0|0,0,2]=4 46 B11R1.21 CC(=O)C1=CC(O)=C(O)C=C1 HMDB0029661 [1,1,0,0,0,0|0,0,0]=2 47 B11R1.21 CC(C)C1=CC(O)=C(C)C=C1 HMDB0035770 [1,1,0,0,0,0|1,0,1]=4 48 B11R1.21 OC(=O)C1=CC(O)=C(O)C=C1 HMDB0001856 [1,1,0,0,0,0|1,0,0]=3 49 B11R1.22 CC(C=O)C1=CC=C(C)C=C1 HMDB0033382 [1,1,0,0,0,0|0,0,1]=3 50 B11R1.22 CC(CO)C1=CC=C(C)C=C1 HMDB0034846 [1,1,0,0,0,0|0,0,2]=4 51 B11R1.22 COC(=O)C1=CC=C(O)C=C1 HMDB0032572 [1,1,0,0,0,0|0,0,0]=2 52 B11R1.22 OCC(=O)C1=CC=C(O)C=C1 HMDB0029657 [1,1,0,0,0,0|0,0,0]=2 53 B11R1.166 CC(=O)C1=C(C)C=C(C)C=C1 HMDB0032140 [1,1,0,0,0,0|0,0,0]=2 54 B11R1.166 CC(=O)C1=C(C)N=C(C)C=N1 HMDB0039999 [1,1,0,0,0,0|2,0,0]=4 55 B11R1.166 CC(=O)C1=C(O)C=C(O)C=C1 HMDB0029659 [1,1,0,0,0,0|0,0,0]=2 56 B11R1.166 OC(=O)C1=C(O)C=C(O)C=C1 HMDB0029666 [1,1,0,0,0,0|1,0,0]=3 57 B13R1.5 COC1=CC=C(/C=C(\C)C=O)C=C1 HMDB0037145 [0,1,0,0,0,1|0,0,0]=2 58 B13R1.36 COC1=CC=C(C=C1)[C@H](O)[C@H](C)O HMDB0032607 [0,1,0,0,0,1|0,0,2]=4 59 B13R1.142 CCOC1=CC=C(NC(N)=O)C=C1 HMDB0032565 [0,1,0,0,0,1|1,0,0]=3 60 B13R1.653 COC1=CC(O)=C(CC(C)O)C=C1 HMDB0036522 [0,1,0,0,0,1|0,0,2]=4 61 B13R1.452 CCOC(=O)C1=CC=C(OC)C=C1 HMDB0032640 [0,2,0,0,0,0|0,0,0]=2 62 B13R1.3088 COC1=C(O)C=C(C=C1)C(O)CO HMDB0035056 [0,2,0,0,0,0|0,0,2]=4 63 B13R1.428 COC1=CC(O)=C(C(C)=O)C(O)=C1 HMDB0029646 [0,2,0,0,0,0|0,0,0]=2 64 B13R2.16 COC1=CC=C(C=C1)C2OC2C HMDB0034615 [0,0,0,1,0,1|0,0,2]=4 65 B13R2.2121 COC1=CC=C2NC(=O)OC2=C1 HMDB0036582 [0,0,0,1,0,1|1,0,0]=3 66 B13R2.430 OC(=O)C1=CC2=C(OCO2)C=C1 HMDB0032613 [0,1,0,1,0,0|1,0,0]=3 67 B9R1.35 CC(=O)C1=CC=C(C)O1 HMDB0035226 [1,0,0,0,1,0|1,0,0]=3 68 B9R1.35 CC(=O)C1=CC=C(C)S1 HMDB0033130 [1,0,0,0,1,0|1,0,0]=3 69 B9R1.35 OC(=O)C1=CC(O)=CN1 HMDB0034368 [1,0,0,0,1,0|2,0,0]=4 70 B11R1.20 CC(=O)OC1=CC=C(C)C=C1 HMDB0032075 [1,0,0,0,0,1|0,0,0]=2 71 B11R1.20 OC(=O)CC1=CC=C(O)C=C1 HMDB0000020 [1,0,0,0,0,1|1,0,0]=3 72 B11R1.266 COC1=CC=CC(=C1)C(O)=O HMDB0032606 [0,0,0,0,1,1|1,0,0]=3 73 B13R1.3 COC1=CC=C(/C=C/N(=O)=O)C=C1 HMDB0032595 [0,0,0,0,0,2|2,0,0]=4 74 B13R1.3 COC1=CC=C(CCC(C)=O)C=C1 HMDB0033597 [0,0,0,0,0,2|0,0,0]=2 75 B13R1.3 COC1=CC=C(COC(C)=O)C=C1 HMDB0033761 [0,0,0,0,0,2|0,0,0]=2