0 B11R1.166 CC(=O)C1=CC=C(O)C=C1O C03663 [0,0,0,0,0,0|1,0,0]=1 1 B11R1.166 CC1=C(C(C)C)C=CC(O)=C1 C14741 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.166 CC1=CC=C(C(=O)O)C(O)=C1 C14103 [0,0,0,0,0,0|1,0,0]=1 3 B11R1.166 CC1=CC=C(C(C)C)C(O)=C1 C09908 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.166 NC1=CC=C(C(=O)O)C(O)=C1 C02518 [0,0,0,0,0,0|1,0,0]=1 5 B11R1.166 NC1=CC=C(C(=O)[O-])C(O)=C1 C08055 [0,0,0,0,0,0|1,0,1]=2 6 B11R1.166 NC1=CC=C(C(=O)[O-])C([O-])=C1 C13104 [0,0,0,0,0,0|1,0,2]=3 7 B11R1.166 O=C(O)C1=C(Cl)C=C(Cl)C=C1 C06670 [0,0,0,0,0,0|2,0,0]=2 8 B11R1.166 O=C(O)C1=C(O)N=C(O)C=C1 C15523 [0,0,0,0,0,0|1,0,0]=1 9 B11R1.166 O=C1NC=C(C(=O)O)C(=O)N1 C03030 [0,0,0,0,0,0|2,0,2]=4 10 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 C06647 [1,0,0,0,0,0|2,0,0]=3 11 B10R1.13 CC(=O)C1=CC=C(O)C=C1 C10700 [1,0,0,0,0,0|1,0,0]=2 12 B10R1.13 CC(N)C1=CC=C(O)C=C1 C03473 [1,0,0,0,0,0|2,0,1]=4 13 B10R1.13 CC(O)C1=CC=C(O)C=C1 C13638 [1,0,0,0,0,0|1,0,1]=3 14 B10R1.13 CC1=CC=C(C(=O)O)C=C1 C01454 [1,0,0,0,0,0|1,0,0]=2 15 B10R1.13 CC1=CC=C([N+](=O)[O-])C=C1 C14394 [1,0,0,0,0,0|2,0,1]=4 16 B10R1.13 N=C(N)C1=CC=C(N)C=C1 C11628 [1,0,0,0,0,0|3,0,0]=4 17 B10R1.13 NC1=CC=C(C(=O)O)C=C1 C00568 [1,0,0,0,0,0|1,0,0]=2 18 B10R1.13 NC1=CC=C([N+](=O)[O-])C=C1 C02126 [1,0,0,0,0,0|2,0,1]=4 19 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 C02370 [1,0,0,0,0,0|1,0,0]=2 20 B10R1.13 O=C(O)C1=CC=C(F)C=C1 C02371 [1,0,0,0,0,0|1,0,0]=2 21 B10R1.13 O=C(O)C1=CC=C(O)C=C1 C00156 [1,0,0,0,0,0|0,0,0]=1 22 B10R1.13 O=C(O)C1=CN=C(O)C=C1 C01020 [1,0,0,0,0,0|1,0,0]=2 23 B10R1.13 O=[N+]([O-])C1=CC=C(Cl)C=C1 C14456 [1,0,0,0,0,0|2,0,1]=4 24 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 C00870 [1,0,0,0,0,0|1,0,1]=3 25 B10R1.61 CC1=C(C(=O)O)C=CC=C1 C07215 [1,0,0,0,0,0|1,0,0]=2 26 B10R1.61 CC1=C([N+](=O)[O-])C=CC=C1 C19597 [1,0,0,0,0,0|2,0,1]=4 27 B10R1.61 NC1=CC=CC=C1C(=O)O C00108 [1,0,0,0,0,0|1,0,0]=2 28 B10R1.61 O=C(O)C1=CC=CC=C1Cl C02357 [1,0,0,0,0,0|1,0,0]=2 29 B10R1.61 O=C(O)C1=CC=CC=C1F C02359 [1,0,0,0,0,0|1,0,0]=2 30 B10R1.61 O=C(O)C1=CC=CC=C1O C00805 [1,0,0,0,0,0|0,0,0]=1 31 B10R1.61 O=C(O)C1=NC=CC=C1O C18620 [1,0,0,0,0,0|1,0,0]=2 32 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 C07587 [1,0,0,0,0,0|0,0,1]=2 33 B10R1.61 O=C([O-])C1=C(S)C=CC=C1 C08171 [1,0,0,0,0,0|0,1,1]=3 34 B10R1.61 O=[N+]([O-])C1=C(Cl)C=CC=C1 C14407 [1,0,0,0,0,0|2,0,1]=4 35 B10R1.61 O=[N+]([O-])C1=CC=CC=C1O C01988 [1,0,0,0,0,0|1,0,1]=3 36 B12R1.232 CC1=C([N+](=O)[O-])C=C(O)C(O)=C1 C18315 [0,1,0,0,0,0|2,0,1]=4 37 B12R1.452 COC1=CC=C(C(=O)O)C(O)=C1 C18346 [0,1,0,0,0,0|0,0,0]=1 38 B12R1.452 COC1=CC=C(C(C)=O)C(O)=C1 C10712 [0,1,0,0,0,0|1,0,0]=2 39 B12R1.452 O=C(O)C1=CC=C(CO)C=C1O C14109 [0,1,0,0,0,0|0,0,0]=1 40 B12R1.452 O=CC1=CC=C(C(=O)O)C(O)=C1 C14100 [0,1,0,0,0,0|0,0,1]=2 41 B12R1.893 CC1=CC=C(C(=O)O)C(N)=C1O C03986 [0,1,0,0,0,0|2,0,0]=3 42 B12R1.911 CC1=CC(O)C(O)(C(=O)O)C=C1 C06729 [0,1,0,0,0,0|1,0,2]=4 43 B12R1.911 O=C(O)[C@@]1(O)C=CC(F)=C[C@@H]1O C16480 [0,1,0,0,0,0|1,0,2]=4 44 B12R1.1000 CC1=C(C(=O)O)C(O)=CC(O)=C1 C01839 [0,1,0,0,0,0|0,0,0]=1 45 B12R1.1000 [*]C(=O)C1=C(O)C=C(O)C=C1O C21498 [0,1,0,0,0,0|1,0,0]=2 46 B12R1.1703 COC(=O)C1=CC=C(N)C=C1O C14170 [0,1,0,0,0,0|1,0,0]=2 47 B9R1.1 C=CC1=CC=C(O)C=C1 C05627 [2,0,0,0,0,0|1,0,0]=3 48 B9R1.1 CC1=CC=C(C=O)C=C1 C06758 [2,0,0,0,0,0|1,0,0]=3 49 B9R1.1 CC1=CC=C(CO)C=C1 C06757 [2,0,0,0,0,0|1,0,1]=4 50 B9R1.1 CCC1=CC=C(O)C=C1 C13637 [2,0,0,0,0,0|1,0,1]=4 51 B9R1.1 CNC1=CC=C(O)C=C1 C11206 [2,0,0,0,0,0|2,0,0]=4 52 B9R1.1 O=CC1=CC=C(Cl)C=C1 C06648 [2,0,0,0,0,0|1,0,0]=3 53 B9R1.1 O=CC1=CC=C(O)C=C1 C00633 [2,0,0,0,0,0|0,0,0]=2 54 B9R1.1 OCC1=CC=C(O)C=C1 C17467 [2,0,0,0,0,0|0,0,1]=3 55 B9R1.6 C=C(C)C1=CC=CC=C1 C14395 [2,0,0,0,0,0|2,0,0]=4 56 B9R1.6 CC(=O)C1=CC=CC=C1 C07113 [2,0,0,0,0,0|1,0,0]=3 57 B9R1.6 CC(O)C1=CC=CC=C1 C07112 [2,0,0,0,0,0|1,0,1]=4 58 B9R1.6 C[C@H](O)C1=CC=CC=C1 C11348 [2,0,0,0,0,0|1,0,1]=4 59 B9R1.6 N=C(N)C1=CC=CC=C1 C01784 [2,0,0,0,0,0|2,0,0]=4 60 B9R1.6 NC(=O)C1=CC=CC=C1 C09815 [2,0,0,0,0,0|1,0,0]=3 61 B9R1.6 NC(=O)C1=CC=NC=C1 C02421 [2,0,0,0,0,0|2,0,0]=4 62 B9R1.6 NC(=O)C1=CN=CC=C1 C00153 [2,0,0,0,0,0|2,0,0]=4 63 B9R1.6 NC(=O)C1=NC=CC=C1 C01950 [2,0,0,0,0,0|2,0,0]=4 64 B9R1.6 NC(=S)C1=CC=CC=C1 C16281 [2,0,0,0,0,0|1,1,0]=4 65 B9R1.6 O=C(Cl)C1=CC=CC=C1 C19168 [2,0,0,0,0,0|1,0,0]=3 66 B9R1.6 O=C(O)C1=CC=CC=C1 C00180 [2,0,0,0,0,0|0,0,0]=2 67 B9R1.6 O=C(O)C1=CC=CC=C1 C00539 [2,0,0,0,0,0|0,0,0]=2 68 B9R1.6 O=C(O)C1=CC=NC=C1 C07446 [2,0,0,0,0,0|1,0,0]=3 69 B9R1.6 O=C(O)C1=CN=CC=C1 C00253 [2,0,0,0,0,0|1,0,0]=3 70 B9R1.6 O=C(O)C1=NC=CC=C1 C10164 [2,0,0,0,0,0|1,0,0]=3 71 B9R1.6 O=C(O)C1=NC=CN=C1 C19915 [2,0,0,0,0,0|2,0,0]=4 72 B9R1.6 O=[N+]([O-])C1=CC=CC=C1 C06813 [2,0,0,0,0,0|1,0,1]=4 73 B9R1.6 OB(O)C1=CC=CC=C1 C16200 [2,0,0,0,0,0|1,0,1]=4 74 B9R1.15 CC1=C(C=O)C=CC=C1 C07214 [2,0,0,0,0,0|1,0,0]=3 75 B9R1.15 CC1=C(CO)C=CC=C1 C07213 [2,0,0,0,0,0|1,0,1]=4 76 B9R1.15 CCC1=CC=CC=C1O C14385 [2,0,0,0,0,0|1,0,1]=4 77 B9R1.15 COC1=CC=CC=C1O C01502 [2,0,0,0,0,0|2,0,0]=4 78 B9R1.15 COC1=CC=CC=C1O C15572 [2,0,0,0,0,0|2,0,0]=4 79 B9R1.15 O=CC1=C(O)C=CC=C1 C06202 [2,0,0,0,0,0|0,0,0]=2 80 B9R1.15 OCC1=CC=CC=C1O C02323 [2,0,0,0,0,0|0,0,1]=3 81 B9R1.69 CC1=C(Cl)C=CC(O)=C1 C14331 [2,0,0,0,0,0|2,0,0]=4 82 B9R1.69 CC1=CC(C)=C(O)C=C1 C14582 [2,0,0,0,0,0|2,0,0]=4 83 B9R1.69 CC1=CC(Cl)=CC=C1O C03359 [2,0,0,0,0,0|2,0,0]=4 84 B9R1.69 CC1=CC(O)=C(O)C=C1 C06730 [2,0,0,0,0,0|1,0,0]=3 85 B9R1.69 CC1=CC=C(O)C(Cl)=C1 C15220 [2,0,0,0,0,0|2,0,0]=4 86 B9R1.69 NC1=C(O)C=C(Cl)C=C1 C20669 [2,0,0,0,0,0|2,0,0]=4 87 B9R1.69 NC1=CC(O)=C(O)C=C1 C18351 [2,0,0,0,0,0|1,0,0]=3 88 B9R1.69 NC1=CC(O)=CC=C1O C14604 [2,0,0,0,0,0|1,0,0]=3 89 B9R1.69 O=C1C=CC(=O)C(O)=C1 C07103 [2,0,0,0,0,0|0,0,1]=3 90 B9R1.69 O=C1C=CC(Br)=CC1=O C14846 [2,0,0,0,0,0|1,0,1]=4 91 B9R1.69 OC1=C(Br)C=C(Br)C=C1 C14521 [2,0,0,0,0,0|2,0,0]=4 92 B9R1.69 OC1=C(Cl)C=CC(Cl)=C1 C06602 [2,0,0,0,0,0|2,0,0]=4 93 B9R1.69 OC1=C(O)C=C(Br)C=C1 C14843 [2,0,0,0,0,0|1,0,0]=3 94 B9R1.69 OC1=CC(Cl)=C(Cl)C=C1 C14462 [2,0,0,0,0,0|2,0,0]=4 95 B9R1.69 OC1=CC(Cl)=C(O)C=C1 C06601 [2,0,0,0,0,0|1,0,0]=3 96 B9R1.69 OC1=CC=C(Cl)C=C1Cl C02625 [2,0,0,0,0,0|2,0,0]=4 97 B9R1.69 OC1=CC=C(Cl)C=C1O C02375 [2,0,0,0,0,0|1,0,0]=3 98 B9R1.69 OC1=CC=C(F)C=C1O C16473 [2,0,0,0,0,0|1,0,0]=3 99 B9R1.69 OC1=CC=C(O)C(O)=C1 C02814 [2,0,0,0,0,0|0,0,0]=2 100 B9R1.69 OC1=CC=C(O)C(O)=N1 C03458 [2,0,0,0,0,0|1,0,0]=3 101 B11R1.3 CNC1=CC=C(C(=O)O)C=C1 C03522 [1,1,0,0,0,0|1,0,0]=3 102 B11R1.3 COC1=CC=C(C(=O)O)C=C1 C02519 [1,1,0,0,0,0|0,0,0]=2 103 B11R1.3 COC1=CC=C([N+](=O)[O-])C=C1 C07555 [1,1,0,0,0,0|1,0,1]=4 104 B11R1.3 O=C(O)C1=CC=C([Hg]Cl)C=C1 C03444 [1,1,0,0,0,0|1,0,0]=3 105 B11R1.3 [*][Hg]C1=CC=C(C(=O)O)C=C1 C00985 [1,1,0,0,0,0|1,0,0]=3 106 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 C06677 [1,1,0,0,0,0|2,0,0]=4 107 B11R1.19 NC1=CC=C(S(=O)(=O)O)C=C1 C06335 [1,1,0,0,0,0|2,0,0]=4 108 B11R1.19 O=S(=O)(O)C1=CC=C(O)C=C1 C12849 [1,1,0,0,0,0|1,0,0]=3 109 B11R1.21 CC(=O)C1=CC(O)=C(O)C=C1 C10675 [1,1,0,0,0,0|1,0,0]=3 110 B11R1.21 CC1=C(O)C=CC(C(=O)O)=C1 C21167 [1,1,0,0,0,0|0,0,0]=2 111 B11R1.21 CC1=NC=C(C(=O)O)C=C1O C01270 [1,1,0,0,0,0|2,0,0]=4 112 B11R1.21 NC1=C(O)C=CC(C(=O)O)=C1 C12115 [1,1,0,0,0,0|0,0,0]=2 113 B11R1.21 NC1=CC([N+](=O)[O-])=CC=C1O C19321 [1,1,0,0,0,0|1,0,1]=4 114 B11R1.21 O=C(O)C1=CC(O)=C(O)C=C1 C00230 [1,1,0,0,0,0|0,0,0]=2 115 B11R1.21 O=C(O)C1=C[C@@H](O)[C@H](O)C=C1 C20710 [1,1,0,0,0,0|0,0,2]=4 116 B11R1.21 O=[N+]([O-])C1=CC=C(O)C(O)=C1 C02235 [1,1,0,0,0,0|1,0,1]=4 117 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 C13342 [1,1,0,0,0,0|1,0,0]=3 118 B11R1.22 N#CC(O)C1=CC=C(O)C=C1 C00650 [1,1,0,0,0,0|1,0,1]=4 119 B11R1.22 N#C[C@@H](O)C1=CC=C(O)C=C1 C03742 [1,1,0,0,0,0|1,0,1]=4 120 B11R1.22 NC[C@H](O)C1=CC=C(O)C=C1 C04227 [1,1,0,0,0,0|1,0,1]=4 121 B11R1.22 O=C(CO)C1=CC=C(O)C=C1 C13635 [1,1,0,0,0,0|0,0,0]=2 122 B11R1.22 [*]SC(=O)C1=CC=C(O)C=C1 C21505 [1,1,0,0,0,0|0,1,0]=3 123 B11R1.81 [*]\C=C\C1=CC=C(O)C=C1O C18089 [1,1,0,0,0,0|1,0,0]=3 124 B11R1.279 O=CC1=CC=C(CO)C=C1O C14108 [1,1,0,0,0,0|0,0,0]=2 125 B11R1.53 CNC1=CC=CC=C1C(=O)O C03005 [1,1,0,0,0,0|1,0,0]=3 126 B11R1.53 COC1=CC=CC=C1[N+](=O)[O-] C19270 [1,1,0,0,0,0|1,0,1]=4 127 B11R1.53 O=C(O)C1=C(NO)C=CC=C1 C16235 [1,1,0,0,0,0|0,0,0]=2 128 B11R1.53 O=C(O)C1=CC=CC=C1CO C10804 [1,1,0,0,0,0|0,0,0]=2 129 B11R1.53 O=CC1=CC=CC=C1C(=O)O C03057 [1,1,0,0,0,0|0,0,1]=3 130 B11R1.87 NC1=C(S(=O)(=O)O)C=CC=C1 C06333 [1,1,0,0,0,0|2,0,0]=4 131 B11R1.156 CC1=C(C(=O)O)C(O)=CC=C1 C02657 [1,1,0,0,0,0|0,0,0]=2 132 B11R1.156 NC(=O)C1=C(Cl)C=CC=C1Cl C10934 [1,1,0,0,0,0|2,0,0]=4 133 B11R1.156 O=C(O)C1=C(O)C=CC=C1O C21298 [1,1,0,0,0,0|0,0,0]=2 134 B11R1.159 CC1=C(N)C(C(=O)O)=CC=C1 C16571 [1,1,0,0,0,0|1,0,0]=3 135 B11R1.159 CC1=C(O)C(C(=O)O)=CC=C1 C14088 [1,1,0,0,0,0|0,0,0]=2 136 B11R1.159 N=C1C(=O)C=CC=C1C(=O)O C04584 [1,1,0,0,0,0|1,0,0]=3 137 B11R1.159 NC1=C(O)C=CC=C1C(=O)O C00632 [1,1,0,0,0,0|1,0,0]=3 138 B11R1.159 O=C(O)C1=CC=CC(O)=C1O C00196 [1,1,0,0,0,0|0,0,0]=2 139 B11R1.159 O=C(O)C1=CC=C[C@H](O)[C@H]1O C04171 [1,1,0,0,0,0|0,0,2]=4 140 B11R1.167 NC1=CC=C(O)C([N+](=O)[O-])=C1 C19323 [1,1,0,0,0,0|1,0,1]=4 141 B11R1.167 O=C(O)C1=CC(O)=CC=C1O C00628 [1,1,0,0,0,0|0,0,0]=2 142 B11R1.167 O=C(O)C1=NC(Cl)=CC=C1Cl C18779 [1,1,0,0,0,0|2,0,0]=4 143 B11R1.222 CNC(=O)C1=C(N)C=CC=C1 C17512 [1,1,0,0,0,0|2,0,0]=4 144 B11R1.222 COC(=O)C1=CC=CC=C1N C20634 [1,1,0,0,0,0|1,0,0]=3 145 B11R1.222 COC(=O)C1=CC=CC=C1O C12305 [1,1,0,0,0,0|0,0,0]=2 146 B11R1.222 O=C(NO)C1=C(O)C=CC=C1 C11343 [1,1,0,0,0,0|0,0,0]=2 147 B11R1.520 O=C(O)C1(O)C=CC=CC1O C04634 [1,1,0,0,0,0|0,0,2]=4 148 B11R1.520 O=C(O)[C@@]1(O)C=CC=C[C@@H]1O C06321 [1,1,0,0,0,0|0,0,2]=4 149 B13R1.7910 O=C(O)C1=CC(O)=CC(=O)C(O)=C1 C01853 [0,1,0,0,0,1|0,0,1]=3 150 B13R1.165 O=C(O)C1=CC=C(O)C=C1C(=O)O C06680 [0,2,0,0,0,0|0,0,0]=2 151 B13R1.3158 CC1=NC=C(C(=O)O)C(CO)=C1O C04773 [0,2,0,0,0,0|2,0,0]=4 152 B13R1.428 COC1=CC(O)=C(C(C)=O)C(O)=C1 C10680 [0,2,0,0,0,0|1,0,0]=3 153 B13R1.4656 [*]SC(=O)C1=C(C)C=C(O)C=C1O C21343 [0,2,0,0,0,0|0,1,0]=3 154 B11R1.157 O=C(O)CC1=CC(O)=CC=C1 C05593 [0,0,1,1,0,0|1,0,1]=4 155 B11R1.80 O=C(O)\C=C1/C=C(Cl)C(=O)O1 C04706 [0,0,1,1,0,0|2,0,0]=4 156 B11R1.80 O=C(O)\C=C1\C=C(Cl)C(=O)O1 C04729 [0,0,1,1,0,0|2,0,0]=4 157 B11R2.36 OC1=CC=C2OCOC2=C1 C10832 [1,0,0,1,0,0|2,0,0]=4 158 B11R2.1 O=C1CCC2=C1C=CC=C2 C01504 [1,0,0,1,0,0|2,0,0]=4 159 B11R2.1 OC1=CNC2=CC=CC=C12 C05658 [1,0,0,1,0,0|2,0,0]=4 160 B9R0.48 O=C\C=C(O)/C=C\C(=O)O C06603 [0,0,1,0,1,0|0,0,1]=3 161 B9R0.79 O=C(O)\C(O)=C(/O)C(=O)O C00975 [0,0,1,0,1,0|2,0,0]=4 162 B9R1.35 O=C(O)C1=CC=C(O)N1 C19721 [1,0,0,0,1,0|1,0,0]=3 163 B11R1.20 CC(=O)NC1=CC=C(Cl)C=C1 C14494 [1,0,0,0,0,1|2,0,0]=4 164 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 C06804 [1,0,0,0,0,1|1,0,0]=3 165 B11R1.20 CC(=O)OC1=CC=C(C)C=C1 C01963 [1,0,0,0,0,1|2,0,0]=4 166 B11R1.20 CC(=O)OC1=CC=C(O)C=C1 C13636 [1,0,0,0,0,1|1,0,0]=3 167 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 C03076 [1,0,0,0,0,1|1,0,0]=3 168 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 C03077 [1,0,0,0,0,1|1,0,0]=3 169 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 C00642 [1,0,0,0,0,1|0,0,0]=2 170 B11R1.20 [*]C(=O)NC1=CC=C([*])C=C1 C03083 [1,0,0,0,0,1|2,0,0]=4 171 B11R1.20 [*]C1=CC=C(CC(=O)O)C=C1 C03768 [1,0,0,0,0,1|1,0,0]=3 172 B11R1.86 CC(=O)NC1=C(Cl)C=CC=C1 C14619 [1,0,0,0,0,1|2,0,0]=4 173 B11R1.86 O=C(O)CC1=CC=CC=C1O C05852 [1,0,0,0,0,1|0,0,0]=2 174 B11R1.74 NC1=CC(O)=CC(C(=O)O)=C1 C12107 [0,0,0,0,1,1|1,0,0]=3 175 B13R1.164 CC1=C(OCC(=O)O)C=CC(Cl)=C1 C18528 [0,0,0,0,0,2|2,0,0]=4 176 B13R1.164 O=C(O)COC1=C(Cl)C=C(Cl)C=C1 C03664 [0,0,0,0,0,2|2,0,0]=4