0 B10R1.13 CC(=C)C1=CC=C(C)C=C1 HMDB0029641 [0,0,0,0,0,0|0,0,4]=4 1 B10R1.13 CC(=C)C1=CC=C(C)CC1 HMDB0037013 [0,0,0,0,0,0|0,0,4]=4 2 B10R1.13 CC(=C)C1CCC(C)=CC1 HMDB0032473 [0,0,0,0,0,0|0,0,4]=4 3 B10R1.13 CC(=C)[C@@H]1CCC(C)=CC1 HMDB0004321 [0,0,0,0,0,0|0,0,4]=4 4 B10R1.13 CC(=C)[C@H]1CCC(C)=CC1 HMDB0003375 [0,0,0,0,0,0|0,0,4]=4 5 B10R1.13 CC(=O)C1=CC=C(C)C=C1 HMDB0032608 [0,0,0,0,0,0|1,0,3]=4 6 B10R1.13 CC(=O)C1=NC=C(C)C=C1 HMDB0040222 [0,0,0,0,0,0|2,0,2]=4 7 B10R1.13 CC(=O)C1CCC(C)=CC1 HMDB0033434 [0,0,0,0,0,0|1,0,3]=4 8 B10R1.13 CC(C)=C1CCC(C)=CC1 HMDB0036994 [0,0,0,0,0,0|0,0,2]=2 9 B10R1.13 CC(C)C1=CC=C(C)CC1 HMDB0036995 [0,0,0,0,0,0|0,0,2]=2 10 B10R1.13 CC(C)C1=CC=C(O)C=C1 HMDB0031446 [0,0,0,0,0,0|1,0,2]=3 11 B10R1.13 CC(C)C1=CCC(=C)CC1 HMDB0036997 [0,0,0,0,0,0|0,0,2]=2 12 B10R1.13 CC(C)C1=CCC(C)=CC1 HMDB0005806 [0,0,0,0,0,0|0,0,0]=0 13 B10R1.13 CC(C)C1=CCC(C)C=C1 HMDB0038150 [0,0,0,0,0,0|0,0,2]=2 14 B10R1.13 CC(C)C1=CCC(C)CC1 HMDB0037213 [0,0,0,0,0,0|0,0,2]=2 15 B10R1.13 CC(C)C1=NC=C(C)N=C1 HMDB0037151 [0,0,0,0,0,0|2,0,0]=2 16 B10R1.13 CC(C)C1CC=C(C)C=C1 HMDB0035850 [0,0,0,0,0,0|0,0,2]=2 17 B10R1.13 CC(C)C1CCC(=C)C=C1 HMDB0036081 [0,0,0,0,0,0|0,0,4]=4 18 B10R1.13 CC(C)C1CCC(=O)C=C1 HMDB0035929 [0,0,0,0,0,0|1,0,3]=4 19 B10R1.13 CC(C)C1CCC(C)CC1 HMDB0031455 [0,0,0,0,0,0|0,0,4]=4 20 B10R1.13 CC(O)C1=CC=C(C)C=C1 HMDB0034378 [0,0,0,0,0,0|1,0,2]=3 21 B10R1.13 [C@@H]1(CC=C(C)C=C1)C(C)C HMDB0035851 [0,0,0,0,0,0|0,0,2]=2 22 B10R1.13 [C@H]1(CC=C(C)C=C1)C(C)C HMDB0034970 [0,0,0,0,0,0|0,0,2]=2 23 B10R1.13 [C@H]1(CCC(=C)C=C1)C(C)C HMDB0041633 [0,0,0,0,0,0|0,0,4]=4 24 B10R1.13 [C@H]1(CCC(=C)C=C1)C(C)C HMDB0041634 [0,0,0,0,0,0|0,0,4]=4 25 B9R1.1 CC1=CC=C(CO)C=C1 HMDB0041609 [1,0,0,0,0,0|1,0,2]=4 26 B9R1.1 CCC1=CC=C(O)C=C1 HMDB0029306 [1,0,0,0,0,0|1,0,2]=4 27 B9R1.1 CCC1=CN=C(C)C=C1 HMDB0029729 [1,0,0,0,0,0|1,0,1]=3 28 B9R1.1 CCC1=NC=C(C)C=C1 HMDB0040041 [1,0,0,0,0,0|1,0,1]=3 29 B9R1.1 CCC1=NC=C(C)N=C1 HMDB0041568 [1,0,0,0,0,0|2,0,0]=3 30 B9R1.1 COC1=CC=C(C)C=C1 HMDB0032076 [1,0,0,0,0,0|1,0,2]=4 31 B9R1.1 COC1=NC=C(C)N=C1 HMDB0040141 [1,0,0,0,0,0|3,0,0]=4 32 B9R1.1 CSC1=NC=C(C)N=C1 HMDB0040060 [1,0,0,0,0,0|3,0,0]=4 33 B9R1.6 CC(C)C1=CC=CC=C1 HMDB0034029 [1,0,0,0,0,0|0,0,2]=3 34 B9R1.6 CC(C)C1=CN=CC=N1 HMDB0041570 [1,0,0,0,0,0|2,0,0]=3 35 B9R1.6 CC(O)C1=CC=CC=C1 HMDB0032619 [1,0,0,0,0,0|1,0,2]=4 36 B9R1.6 CC(S)C1=CC=CC=C1 HMDB0032467 [1,0,0,0,0,0|1,0,2]=4 37 B11R1.3 CC(C)C1=CC=C(CO)C=C1 HMDB0031817 [0,1,0,0,0,0|0,0,2]=3 38 B11R1.3 CC(C)C1CCC(C=O)=CC1 HMDB0035600 [0,1,0,0,0,0|0,0,3]=4 39 B11R1.3 COC1=NC=C(N=C1)C(C)C HMDB0040052 [0,1,0,0,0,0|2,0,0]=3 40 B11R1.19 CC(C)(C)C1=CC=C(O)C=C1 HMDB0032063 [0,1,0,0,0,0|1,0,2]=4 41 B11R1.19 CC1=CC=C(C=C1)C(C)(C)O HMDB0029652 [0,1,0,0,0,0|0,0,2]=3 42 B11R1.19 CC1=CCC(CC1)C(C)(C)S HMDB0035703 [0,1,0,0,0,0|0,0,2]=3 43 B11R1.19 CC1=CC[C@@H](CC1)C(C)(C)O HMDB0036086 [0,1,0,0,0,0|0,0,2]=3 44 B11R1.21 CC(C)C1=CC(O)=C(C)C=C1 HMDB0035770 [0,1,0,0,0,0|0,0,2]=3 45 B11R1.21 CC(C)C1CC=C(C)C(=O)C1 HMDB0034974 [0,1,0,0,0,0|0,0,3]=4 46 B11R1.21 CC(C)C1CCC(C)C(=O)C1 HMDB0035272 [0,1,0,0,0,0|0,0,3]=4 47 B11R1.21 CC(C)[C@H]1CC[C@H](C)C(=O)C1 HMDB0034969 [0,1,0,0,0,0|0,0,3]=4 48 B11R1.22 CC(C=O)C1=CC=C(C)C=C1 HMDB0033382 [0,1,0,0,0,0|0,0,3]=4 49 B11R1.22 CC(C=O)C1=CCC(C)CC1 HMDB0030892 [0,1,0,0,0,0|0,0,3]=4 50 B11R1.22 CC(CO)C1=CC=C(C)C=C1 HMDB0034846 [0,1,0,0,0,0|0,0,2]=3 51 B11R1.22 CC(CO)C1CCC(C)=CC1 HMDB0037007 [0,1,0,0,0,0|0,0,2]=3 52 B11R1.166 CC(C)=C1CCC(C)=CC1=O HMDB0036999 [0,1,0,0,0,0|0,0,3]=4 53 B11R1.166 CC(C)C1CC=C(C)CC1O HMDB0037016 [0,1,0,0,0,0|0,0,2]=3 54 B11R1.166 CC(C)C1CCC(C)=CC1=O HMDB0034975 [0,1,0,0,0,0|0,0,3]=4 55 B11R1.166 CC(C)C1CCC(C)=CC1O HMDB0035838 [0,1,0,0,0,0|0,0,2]=3 56 B11R1.166 CC(C)C1CCC(C)CC1=S HMDB0038192 [0,1,0,0,0,0|0,0,3]=4 57 B11R1.166 CC(C)[C@@H]1CCC(C)=CC1=O HMDB0035737 [0,1,0,0,0,0|0,0,3]=4 58 B11R1.166 CC(C)[C@@H]1CCC(C)=CC1=O HMDB0035738 [0,1,0,0,0,0|0,0,3]=4 59 B11R1.166 CC(C)[C@@H]1CCC(C)=C[C@H]1O HMDB0035861 [0,1,0,0,0,0|0,0,2]=3 60 B11R1.166 CC(C)[C@@H]1CC[C@@H](C)CC1=O HMDB0035162 [0,1,0,0,0,0|0,0,3]=4 61 B11R1.166 CC(C)[C@@H]1CC[C@H](C)CC1=O HMDB0034972 [0,1,0,0,0,0|0,0,3]=4 62 B11R1.166 CC(C)[C@H]1CC[C@H](C)CC1=O HMDB0035783 [0,1,0,0,0,0|0,0,3]=4 63 B11R1.166 CC1CCC(=C(C)C)C(=O)C1 HMDB0035604 [0,1,0,0,0,0|0,0,3]=4 64 B11R1.220 CC(C)C1(O)CCC(C)=CC1 HMDB0035833 [0,1,0,0,0,0|0,0,2]=3 65 B11R1.220 CC(C)[C@]1(O)CCC(C)=CC1 HMDB0035823 [0,1,0,0,0,0|0,0,2]=3 66 B11R1.727 CC(C)C1=CCC(C)(O)CC1 HMDB0038025 [0,1,0,0,0,0|0,0,2]=3 67 B9R0.1 CC(C)=CC/C=C(/C)C=C HMDB0030088 [0,0,1,0,0,0|0,0,2]=3 68 B9R0.1 CC(C)=CC/C=C(\C)C=C HMDB0030089 [0,0,1,0,0,0|0,0,2]=3 69 B11R2.39 CC1=CCC2C(C1)C2(C)C HMDB0035619 [0,0,0,1,0,0|0,0,2]=3 70 B11R2.39 CC1=CC[C@H]2[C@@H](C1)C2(C)C HMDB0034697 [0,0,0,1,0,0|0,0,2]=3 71 B11R2.39 CC1=CC[C@H]2[C@@H](C1)C2(C)C HMDB0035087 [0,0,0,1,0,0|0,0,2]=3 72 B11R2.533 CC1=CCC2CC1C2(C)C HMDB0006525 [0,0,0,1,0,0|0,0,2]=3 73 B11R2.533 CC1=CC[C@@H]2C[C@H]1C2(C)C HMDB0035658 [0,0,0,1,0,0|0,0,2]=3 74 B11R2.746 CC(C)C12CC1C(C)=CC2 HMDB0036116 [0,0,0,1,0,0|0,0,2]=3 75 B9R1.35 CC(C)C1=CC=C(C)O1 HMDB0033238 [0,0,0,0,1,0|1,0,1]=3 76 B9R1.35 CC(C)C1=CSC(C)=N1 HMDB0040100 [0,0,0,0,1,0|2,0,0]=3 77 B9R1.35 CC(C)C1=NC(C)=CS1 HMDB0037156 [0,0,0,0,1,0|2,0,0]=3 78 B8R0.6 CC/C=C/CC(=O)C=C HMDB0032447 [1,0,1,0,0,0|1,0,1]=4 79 B8R0.6 CC/C=C\CC(=O)OC HMDB0031504 [1,0,1,0,0,0|2,0,0]=4 80 B8R0.28 CC(C)/C=C\C=C(C)C HMDB0031415 [1,0,1,0,0,0|0,0,1]=3 81 B8R0.28 CC(O)CCC=C(C)C HMDB0030030 [1,0,1,0,0,0|1,0,1]=4 82 B8R0.8 C/C=C/CC(=C)C(C)C HMDB0037777 [1,0,1,0,0,0|0,0,0]=2 83 B8R1.2 CCC1=CC=CN=C1 HMDB0029734 [2,0,0,0,0,0|1,0,1]=4 84 B8R1.2 CCC1=CN=CC=N1 HMDB0031849 [2,0,0,0,0,0|2,0,0]=4 85 B8R1.3 CC1=CC=C(C)C=C1 HMDB0031461 [2,0,0,0,0,0|0,0,2]=4 86 B8R1.3 CC1=CN=C(C)C=N1 HMDB0035289 [2,0,0,0,0,0|2,0,0]=4 87 B10R0.3 CC(C)=CC/C=C(\C)CC=O HMDB0030893 [0,1,1,0,0,0|0,0,1]=3 88 B10R0.3 CC(C)=CCC/C(C)=C/CO HMDB0035155 [0,1,1,0,0,0|0,0,2]=4 89 B10R0.3 CC(C)=CCC/C(C)=C\CO HMDB0005812 [0,1,1,0,0,0|0,0,2]=4 90 B10R0.3 CC(C)=CCC/C(C)=C\CS HMDB0036106 [0,1,1,0,0,0|0,0,2]=4 91 B10R1.1 CCCC1=NC=C(C)N=C1 HMDB0040000 [1,1,0,0,0,0|2,0,0]=4 92 B10R1.1 CCOC1=NC=C(C)N=C1 HMDB0040142 [1,1,0,0,0,0|2,0,0]=4 93 B10R1.3 CCC1=CN=C(CC)C=N1 HMDB0036808 [1,1,0,0,0,0|2,0,0]=4 94 B10R1.25 CCC1=C(C)N=C(C)C=N1 HMDB0040299 [1,1,0,0,0,0|2,0,0]=4 95 B10R1.25 CCC1=C(O)C=C(C)C=C1 HMDB0038987 [1,1,0,0,0,0|0,0,2]=4 96 B10R1.176 CCC1=CN=C(C)C(C)=N1 HMDB0029727 [1,1,0,0,0,0|2,0,0]=4 97 B10R1.15 CC(CO)C1=CC=CC=C1 HMDB0031628 [1,1,0,0,0,0|0,0,2]=4 98 B10R1.28 [CH2]C(C)(C)C1=CC=CC=C1 HMDB0031788 [1,1,0,0,0,0|0,0,2]=4 99 B10R1.61 CC(C)C1=CC=CC=C1C HMDB0037050 [1,1,0,0,0,0|0,0,2]=4 100 B10R1.61 CC(C)C1=CC=CC=C1O HMDB0032029 [1,1,0,0,0,0|0,0,2]=4 101 B10R1.113 CC(C)=C1CCC=C(C)C1 HMDB0033200 [1,1,0,0,0,0|0,0,2]=4 102 B10R1.113 CC(C)C1=CC=CC(C)=C1 HMDB0037051 [1,1,0,0,0,0|0,0,2]=4 103 B10R1.58 CC(C)C1=NC(C)=C(C)O1 HMDB0037871 [0,1,0,0,1,0|2,0,0]=4 104 B10R1.58 CC(C)C1=NC(C)=C(C)S1 HMDB0040074 [0,1,0,0,1,0|2,0,0]=4 105 B10R1.194 CC(C)C1=CCC(C)C1=O HMDB0036069 [0,1,0,0,1,0|0,0,1]=3 106 B12R1.113 CC(C)C1=CC=C(CC=O)C=C1 HMDB0041493 [0,2,0,0,0,0|0,0,2]=4 107 B12R1.256 CC(C)C1=CC=C(C=C1)C(C)=O HMDB0032025 [0,2,0,0,0,0|0,0,2]=4 108 B12R1.9 COC(C)(C)C1=CC=C(C)C=C1 HMDB0029653 [0,2,0,0,0,0|0,0,2]=4 109 B12R1.232 CC(C)C1=CC(=O)C(C)=CC1=O HMDB0034732 [0,2,0,0,0,0|0,0,2]=4 110 B12R1.16 CC(CC=O)C1CCC(C)=CC1 HMDB0030252 [0,2,0,0,0,0|0,0,2]=4 111 B12R1.57 COC1=C(C=CC(C)=C1)C(C)C HMDB0035989 [0,2,0,0,0,0|0,0,2]=4 112 B12R2.606 CC1CC2=C(C1)N=C(C)C=N2 HMDB0039832 [0,0,0,1,0,1|2,0,0]=4 113 B12R2.1182 CC1=CCC2(CC1)OC2(C)C HMDB0037009 [0,0,0,1,0,1|0,0,2]=4 114 B12R2.1957 CC1(C)C2CC1C(CO)=CC2 HMDB0035100 [0,1,0,1,0,0|0,0,2]=4 115 B12R2.1957 CC1(C)[C@H]2C[C@@H]1C(CO)=CC2 HMDB0035125 [0,1,0,1,0,0|0,0,2]=4 116 B12R2.598 CC1=CCC2CC1OC2(C)C HMDB0038251 [0,1,0,1,0,0|0,0,2]=4 117 B12R2.612 CC1=C2CCC(C)=CC2OC1 HMDB0037561 [0,1,0,1,0,0|0,0,2]=4 118 B12R2.612 CC1CCC2=C1N=CC(C)=N2 HMDB0039831 [0,1,0,1,0,0|2,0,0]=4 119 B12R2.612 CC1OCC2C=C(C)CCC12 HMDB0040766 [0,1,0,1,0,0|0,0,2]=4 120 B12R2.766 CC1=CC(O)C2CC1C2(C)C HMDB0036129 [0,1,0,1,0,0|0,0,2]=4 121 B12R2.292 CC1=CCC(O)(CC1)C2CC2 HMDB0035203 [0,1,0,1,0,0|0,0,2]=4 122 B8R1.1 CCC1=CC=C(C)O1 HMDB0029728 [1,0,0,0,1,0|1,0,1]=4 123 B8R1.1 CCC1=CC=C(C)S1 HMDB0029733 [1,0,0,0,1,0|1,0,1]=4 124 B8R1.1 CCC1=CN=C(C)O1 HMDB0037859 [1,0,0,0,1,0|2,0,0]=4 125 B8R1.1 CCC1=CN=C(C)S1 HMDB0040096 [1,0,0,0,1,0|2,0,0]=4 126 B8R1.1 CCC1=COC(C)=N1 HMDB0037838 [1,0,0,0,1,0|2,0,0]=4 127 B8R1.1 CCC1=CSC(C)=N1 HMDB0029731 [1,0,0,0,1,0|2,0,0]=4 128 B8R1.1 CCC1=NC(C)=CO1 HMDB0037837 [1,0,0,0,1,0|2,0,0]=4 129 B8R1.1 CCC1=NC(C)=CS1 HMDB0029730 [1,0,0,0,1,0|2,0,0]=4 130 B8R1.1 CCC1=NC=C(C)O1 HMDB0037858 [1,0,0,0,1,0|2,0,0]=4 131 B8R1.7 CC(C)C1=CC=CO1 HMDB0040278 [1,0,0,0,1,0|1,0,0]=3 132 B8R1.7 CC(S)C1=CC=CO1 HMDB0039586 [1,0,0,0,1,0|2,0,0]=4 133 B10R1.18 CC(C)CC1=CC=CC=N1 HMDB0037291 [1,0,0,0,0,1|1,0,1]=4 134 B10R1.18 CC(C)CC1=CN=CC=C1 HMDB0037287 [1,0,0,0,0,1|1,0,1]=4