0 B10R1.15 C=C(C=O)C1=CC=CC=C1 C16592 [0,0,0,0,0,0|0,0,2]=2 1 B10R1.15 CCC(C)C1=CC=CC=C1 C14142 [0,0,0,0,0,0|1,0,1]=2 2 B10R1.15 COC(=O)C1=CC=CC=C1 C20645 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.15 N#CC(=O)C1=CC=CC=C1 C21329 [0,0,0,0,0,0|2,0,2]=4 4 B10R1.15 N#C[C@@H](O)C1=CC=CC=C1 C02615 [0,0,0,0,0,0|2,0,1]=3 5 B10R1.15 N#C[C@H](O)C1=CC=CC=C1 C00561 [0,0,0,0,0,0|2,0,1]=3 6 B10R1.15 NC(=S=O)C1=CC=CC=C1 C16283 [0,0,0,0,0,0|2,0,1]=3 7 B10R1.15 NCC(O)C1=CC=CC=C1 C02735 [0,0,0,0,0,0|2,0,1]=3 8 B10R1.15 O=C(CO)C1=CC=CC=C1 C07189 [0,0,0,0,0,0|1,0,3]=4 9 B9R1.6 C=C(C)C1=CC=CC=C1 C14395 [1,0,0,0,0,0|0,0,1]=2 10 B9R1.6 CC(=O)C1=CC=CC=C1 C07113 [1,0,0,0,0,0|0,0,1]=2 11 B9R1.6 CC(C)C1=CC=CC=C1 C14396 [1,0,0,0,0,0|0,0,1]=2 12 B9R1.6 CC(N)C1=CC=CC=C1 C02455 [1,0,0,0,0,0|1,0,0]=2 13 B9R1.6 CC(O)C1=CC=CC=C1 C07112 [1,0,0,0,0,0|0,0,1]=2 14 B9R1.6 CN(C)C1=CC=CC=C1 C02846 [1,0,0,0,0,0|1,0,1]=3 15 B9R1.6 C[C@H](O)C1=CC=CC=C1 C11348 [1,0,0,0,0,0|0,0,1]=2 16 B9R1.6 ClC(Cl)C1=CC=CC=C1 C19165 [1,0,0,0,0,0|2,0,0]=3 17 B9R1.6 N=C(N)C1=CC=CC=C1 C01784 [1,0,0,0,0,0|2,0,1]=4 18 B9R1.6 NC(=O)C1=CC=CC=C1 C09815 [1,0,0,0,0,0|1,0,1]=3 19 B9R1.6 NC(=O)C1=CC=NC=C1 C02421 [1,0,0,0,0,0|2,0,1]=4 20 B9R1.6 NC(=O)C1=CN=CC=C1 C00153 [1,0,0,0,0,0|2,0,1]=4 21 B9R1.6 NC(=O)C1=NC=CC=C1 C01950 [1,0,0,0,0,0|2,0,1]=4 22 B9R1.6 NC(=S)C1=CC=CC=C1 C16281 [1,0,0,0,0,0|1,1,1]=4 23 B9R1.6 O=C(Cl)C1=CC=CC=C1 C19168 [1,0,0,0,0,0|1,0,1]=3 24 B9R1.6 O=C(O)C1=CC=CC=C1 C00180 [1,0,0,0,0,0|1,0,1]=3 25 B9R1.6 O=C(O)C1=CC=CC=C1 C00539 [1,0,0,0,0,0|1,0,1]=3 26 B9R1.6 O=C(O)C1=CC=NC=C1 C07446 [1,0,0,0,0,0|2,0,1]=4 27 B9R1.6 O=C(O)C1=CN=CC=C1 C00253 [1,0,0,0,0,0|2,0,1]=4 28 B9R1.6 O=C(O)C1=NC=CC=C1 C10164 [1,0,0,0,0,0|2,0,1]=4 29 B9R1.6 O=[N+]([O-])C1=CC=CC=C1 C06813 [1,0,0,0,0,0|2,0,0]=3 30 B9R1.6 OB(O)C1=CC=CC=C1 C16200 [1,0,0,0,0,0|2,0,1]=4 31 B9R1.6 [*]N([*])C1=CC=CC=C1 C02401 [1,0,0,0,0,0|3,0,0]=4 32 B9R1.8 CCNC1=CC=CC=C1 C14455 [1,0,0,0,0,0|2,0,1]=4 33 B9R1.8 N#CCC1=CC=CC=C1 C16074 [1,0,0,0,0,0|1,0,1]=3 34 B9R1.8 NCCC1=CC=CC=C1 C05332 [1,0,0,0,0,0|1,0,1]=3 35 B9R1.8 O=CCC1=CC=CC=C1 C00601 [1,0,0,0,0,0|0,0,0]=1 36 B9R1.8 OCCC1=CC=CC=C1 C05853 [1,0,0,0,0,0|0,0,2]=3 37 B11R1.16 CNCC(O)C1=CC=CC=C1 C03711 [0,1,0,0,0,0|2,0,1]=4 38 B11R1.22 CCC(C)C1=CC=C(O)C=C1 C14139 [0,1,0,0,0,0|1,0,1]=3 39 B11R1.22 N#CC(O)C1=CC=C(O)C=C1 C00650 [0,1,0,0,0,0|2,0,1]=4 40 B11R1.22 N#C[C@@H](O)C1=CC=C(O)C=C1 C03742 [0,1,0,0,0,0|2,0,1]=4 41 B11R1.22 NC[C@H](O)C1=CC=C(O)C=C1 C04227 [0,1,0,0,0,0|2,0,1]=4 42 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 C17268 [0,1,0,0,0,0|1,0,1]=3 43 B11R1.36 C[C@@H](N)[C@@H](O)C1=CC=CC=C1 C02343 [0,1,0,0,0,0|2,0,1]=4 44 B11R1.36 C[C@H](N)[C@@H](O)C1=CC=CC=C1 C08300 [0,1,0,0,0,0|2,0,1]=4 45 B11R1.36 C[C@H](N)[C@H](O)C1=CC=CC=C1 C07911 [0,1,0,0,0,0|2,0,1]=4 46 B11R1.36 C[C@H](N)[C@H](O)C1=CC=CC=C1 C16719 [0,1,0,0,0,0|2,0,1]=4 47 B11R1.36 N=C(C1=CC=CC=C1)S(=O)O C16285 [0,1,0,0,0,0|2,0,1]=4 48 B11R1.36 NC(=O)[C@H](O)C1=CC=CC=C1 C07301 [0,1,0,0,0,0|1,0,0]=2 49 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 C18623 [0,1,0,0,0,0|1,0,0]=2 50 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 C02137 [0,1,0,0,0,0|1,0,1]=3 51 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 C01984 [0,1,0,0,0,0|1,0,0]=2 52 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 C01983 [0,1,0,0,0,0|1,0,0]=2 53 B11R1.222 CCC(C)C1=CC=CC=C1O C14138 [0,1,0,0,0,0|1,0,1]=3 54 B11R2.1 CC1=CNC2=C1C=CC=C2 C08313 [0,0,0,1,0,0|1,0,1]=3 55 B11R2.1 NC1=CNC2=CC=CC=C12 C01819 [0,0,0,1,0,0|2,0,1]=4 56 B11R2.1 OC1=CNC2=CC=CC=C12 C05658 [0,0,0,1,0,0|2,0,1]=4 57 B11R2.1 OC1CCC2=C1C=CC=C2 C01710 [0,0,0,1,0,0|2,0,1]=4 58 B11R2.4 N[C@@H]1CC1C2=CC=CC=C2 C07155 [0,0,0,1,0,0|1,0,1]=3 59 B11R1.40 CN[C@@H](C)CC1=CC=CC=C1 C07164 [0,0,0,0,0,1|2,0,0]=3 60 B8R1.2 C=CC1=CC=CC=C1 C07083 [2,0,0,0,0,0|0,0,1]=3 61 B8R1.2 C=CC1=CC=CC=C1 C19506 [2,0,0,0,0,0|0,0,1]=3 62 B8R1.2 C=CC1=CC=CC=C1 C19573 [2,0,0,0,0,0|0,0,1]=3 63 B8R1.2 C=CC1=CC=CC=C1 C19575 [2,0,0,0,0,0|0,0,1]=3 64 B8R1.2 CCC1=CC=CC=C1 C07111 [2,0,0,0,0,0|0,0,0]=2 65 B8R1.2 CNC1=CC=CC=C1 C02299 [2,0,0,0,0,0|1,0,0]=3 66 B8R1.2 COC1=CC=CC=C1 C01403 [2,0,0,0,0,0|1,0,0]=3 67 B8R1.2 ClCC1=CC=CC=C1 C19167 [2,0,0,0,0,0|1,0,0]=3 68 B8R1.2 N#CC1=CC=CC=C1 C09814 [2,0,0,0,0,0|1,0,1]=4 69 B8R1.2 N#[N+]C1=CC=CC=C1 C20284 [2,0,0,0,0,0|2,0,0]=4 70 B8R1.2 NCC1=CC=CC=C1 C15562 [2,0,0,0,0,0|1,0,0]=3 71 B8R1.2 NCC1=CC=CC=N1 C17926 [2,0,0,0,0,0|2,0,0]=4 72 B8R1.2 NNC1=CC=CC=C1 C02304 [2,0,0,0,0,0|2,0,0]=4 73 B8R1.2 O=CC1=CC=CC=C1 C00193 [2,0,0,0,0,0|0,0,0]=2 74 B8R1.2 O=CC1=CC=CC=C1 C00261 [2,0,0,0,0,0|0,0,0]=2 75 B8R1.2 O=CC1=CN=CC=C1 C07327 [2,0,0,0,0,0|1,0,0]=3 76 B8R1.2 O=NC1=CC=CC=C1 C06876 [2,0,0,0,0,0|1,0,0]=3 77 B8R1.2 O=[C]C1=CC=NC=C1 C21754 [2,0,0,0,0,0|1,0,1]=4 78 B8R1.2 OCC1=CC=CC=C1 C00556 [2,0,0,0,0,0|0,0,1]=3 79 B8R1.2 OCC1=CC=CC=C1 C03485 [2,0,0,0,0,0|0,0,1]=3 80 B8R1.2 ONC1=CC=CC=C1 C02720 [2,0,0,0,0,0|1,0,1]=4 81 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 C06647 [1,1,0,0,0,0|0,0,1]=3 82 B10R1.13 CC(=O)C1=CC=C(O)C=C1 C10700 [1,1,0,0,0,0|0,0,1]=3 83 B10R1.13 CC(N)C1=CC=C(O)C=C1 C03473 [1,1,0,0,0,0|1,0,0]=3 84 B10R1.13 CC(O)C1=CC=C(O)C=C1 C13638 [1,1,0,0,0,0|0,0,1]=3 85 B10R1.13 CC1=CC=C(C(=O)O)C=C1 C01454 [1,1,0,0,0,0|1,0,1]=4 86 B10R1.13 CC1=CC=C(C(C)C)C=C1 C06575 [1,1,0,0,0,0|0,0,1]=3 87 B10R1.13 CC1=CC=C([N+](=O)[O-])C=C1 C14394 [1,1,0,0,0,0|2,0,0]=4 88 B10R1.13 CN(C)C1=CC=C(N)C=C1 C04203 [1,1,0,0,0,0|1,0,1]=4 89 B10R1.13 NC1=CC=C(C(=O)O)C=C1 C00568 [1,1,0,0,0,0|1,0,1]=4 90 B10R1.13 NC1=CC=C([N+](=O)[O-])C=C1 C02126 [1,1,0,0,0,0|2,0,0]=4 91 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 C02370 [1,1,0,0,0,0|1,0,1]=4 92 B10R1.13 O=C(O)C1=CC=C(F)C=C1 C02371 [1,1,0,0,0,0|1,0,1]=4 93 B10R1.13 O=C(O)C1=CC=C(O)C=C1 C00156 [1,1,0,0,0,0|1,0,1]=4 94 B10R1.13 O=[N+]([O-])C1=CC=C(Cl)C=C1 C14456 [1,1,0,0,0,0|2,0,0]=4 95 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 C00870 [1,1,0,0,0,0|2,0,0]=4 96 B10R1.28 C[N+](C)([O-])C1=CC=CC=C1 C01183 [1,1,0,0,0,0|1,0,1]=4 97 B10R1.28 ClC(Cl)(Cl)C1=CC=CC=C1 C19166 [1,1,0,0,0,0|2,0,0]=4 98 B10R1.61 CC1=C(C(=O)O)C=CC=C1 C07215 [1,1,0,0,0,0|1,0,1]=4 99 B10R1.61 CC1=C([N+](=O)[O-])C=CC=C1 C19597 [1,1,0,0,0,0|2,0,0]=4 100 B10R1.61 NC1=CC=CC=C1C(=O)O C00108 [1,1,0,0,0,0|1,0,1]=4 101 B10R1.61 O=C(O)C1=CC=CC=C1Cl C02357 [1,1,0,0,0,0|1,0,1]=4 102 B10R1.61 O=C(O)C1=CC=CC=C1F C02359 [1,1,0,0,0,0|1,0,1]=4 103 B10R1.61 O=C(O)C1=CC=CC=C1O C00805 [1,1,0,0,0,0|1,0,1]=4 104 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 C07587 [1,1,0,0,0,0|1,0,1]=4 105 B10R1.61 O=C([O-])C1=C(S)C=CC=C1 C08171 [1,1,0,0,0,0|1,0,1]=4 106 B10R1.61 O=[N+]([O-])C1=C(Cl)C=CC=C1 C14407 [1,1,0,0,0,0|2,0,0]=4 107 B10R1.61 O=[N+]([O-])C1=CC=CC=C1O C01988 [1,1,0,0,0,0|2,0,0]=4 108 B10R1.113 CC1=CC([N+](=O)[O-])=CC=C1 C19486 [1,1,0,0,0,0|2,0,0]=4 109 B10R1.113 CC1=CC=CC(C(=O)O)=C1 C07211 [1,1,0,0,0,0|1,0,1]=4 110 B10R1.113 NC(=O)C1=CC(Cl)=CC=C1 C11731 [1,1,0,0,0,0|1,0,1]=4 111 B10R1.113 O=C(O)C1=CC(O)=CC=C1 C00587 [1,1,0,0,0,0|1,0,1]=4 112 B10R1.113 O=C(O)C1=CC=CC(F)=C1 C02364 [1,1,0,0,0,0|1,0,1]=4 113 B10R1.113 O=[N+]([O-])C1=CC=CC(Cl)=C1 C19364 [1,1,0,0,0,0|2,0,0]=4 114 B10R1.113 O=[N+]([O-])C1=CC=CC(O)=C1 C14418 [1,1,0,0,0,0|2,0,0]=4 115 B10R1.1 C=CCC1=CC=C(O)C=C1 C16930 [1,1,0,0,0,0|1,0,0]=3 116 B10R1.1 CCCC1=CC=C(O)C=C1 C14311 [1,1,0,0,0,0|1,0,1]=4 117 B10R1.1 C\C=C\C1=CC=C(O)C=C1 C20464 [1,1,0,0,0,0|1,0,1]=4 118 B10R1.1 N#CCC1=CC=C(Cl)C=C1 C03679 [1,1,0,0,0,0|1,0,1]=4 119 B10R1.1 N#CCC1=CC=C(O)C=C1 C03766 [1,1,0,0,0,0|1,0,1]=4 120 B10R1.1 NCCC1=CC=C(O)C=C1 C00483 [1,1,0,0,0,0|1,0,1]=4 121 B10R1.1 O=CCC1=CC=C(O)C=C1 C03765 [1,1,0,0,0,0|0,0,0]=2 122 B10R1.1 OCCC1=CC=C(O)C=C1 C06044 [1,1,0,0,0,0|0,0,2]=4 123 B10R1.1 [*]C1=CC=C(CC#N)C=C1 C04116 [1,1,0,0,0,0|1,0,1]=4 124 B10R1.4 CC1=C(CC#N)C=CC=C1 C02596 [1,1,0,0,0,0|1,0,1]=4 125 B10R1.17 CCCCC1=CC=CC=C1 C18150 [1,1,0,0,0,0|1,0,1]=4 126 B10R1.17 N#CSCC1=CC=CC=C1 C02660 [1,1,0,0,0,0|1,0,1]=4 127 B10R1.17 NNCCC1=CC=CC=C1 C07430 [1,1,0,0,0,0|1,0,1]=4 128 B10R1.17 NNCCC1=CC=CC=C1 C07431 [1,1,0,0,0,0|1,0,1]=4 129 B10R1.17 O=CNCC1=CC=CC=C1 C15561 [1,1,0,0,0,0|0,0,0]=2 130 B10R1.17 O=COCC1=CC=CC=C1 C05613 [1,1,0,0,0,0|0,0,0]=2 131 B10R1.17 O=C\C=C\C1=CC=CC=C1 C00903 [1,1,0,0,0,0|0,0,1]=3 132 B10R1.17 OC\C=C\C1=CC=CC=C1 C02394 [1,1,0,0,0,0|0,0,2]=4 133 B10R1.17 O\N=C/CC1=CC=CC=C1 C16075 [1,1,0,0,0,0|0,0,1]=3 134 B10R1.17 O\N=C\CC1=CC=CC=C1 C19714 [1,1,0,0,0,0|0,0,1]=3 135 B10R1.17 S=C=NCC1=CC=CC=C1 C03098 [1,1,0,0,0,0|0,1,1]=4 136 B10R1.18 CC(=O)CC1=CC=CC=C1 C15512 [1,1,0,0,0,0|0,0,0]=2 137 B10R1.18 CC(=O)NC1=CC=CC=C1 C07565 [1,1,0,0,0,0|1,0,0]=3 138 B10R1.18 CC(=O)OC1=CC=CC=C1 C00548 [1,1,0,0,0,0|1,0,0]=3 139 B10R1.18 CC(=O)OC1=CC=CC=C1 C15583 [1,1,0,0,0,0|1,0,0]=3 140 B10R1.18 CC(N)CC1=CC=CC=C1 C07514 [1,1,0,0,0,0|1,0,1]=4 141 B10R1.18 C[C@H](N)CC1=CC=CC=C1 C07884 [1,1,0,0,0,0|1,0,1]=4 142 B10R1.18 NC(=O)CC1=CC=CC=C1 C02505 [1,1,0,0,0,0|0,0,0]=2 143 B10R1.18 NC(=S)CC1=CC=CC=N1 C15663 [1,1,0,0,0,0|1,1,0]=4 144 B10R1.18 O=C(O)CC1=CC=CC=C1 C07086 [1,1,0,0,0,0|0,0,0]=2 145 B10R1.18 [*]C(=O)NC1=CC=CC=C1 C00484 [1,1,0,0,0,0|1,0,0]=3 146 B10R1.18 [*]C(=O)NC1=CC=CC=C1 C01402 [1,1,0,0,0,0|1,0,0]=3 147 B12R1.34 CN[C@@H](C)[C@@H](O)C1=CC=CC=C1 C02765 [0,1,0,0,0,1|2,0,0]=4 148 B12R1.34 CN[C@@H](C)[C@H](O)C1=CC=CC=C1 C01575 [0,1,0,0,0,1|2,0,0]=4 149 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O C02057 [0,1,0,0,0,1|1,0,0]=3 150 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O C00079 [0,1,0,0,0,1|1,0,0]=3 151 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O C02265 [0,1,0,0,0,1|1,0,0]=3 152 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 C00166 [0,1,0,0,0,1|1,0,1]=4 153 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 C05607 [0,1,0,0,0,1|1,0,0]=3 154 B12R1.43 O=C(O)\C(O)=C\C1=CC=CC=C1 C02763 [0,1,0,0,0,1|1,0,1]=4 155 B12R1.194 CNC(C)(C)CC1=CC=CC=C1 C07889 [0,1,0,0,0,1|2,0,0]=4 156 B12R1.9 CCC(C)(C)C1=CC=C(O)C=C1 C14226 [0,2,0,0,0,0|1,0,1]=4 157 B12R1.478 O=C(O)C(CO)C1=CC=CC=C1 C01456 [0,2,0,0,0,0|0,0,0]=2 158 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 C20488 [0,2,0,0,0,0|1,0,0]=3 159 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 C20487 [0,2,0,0,0,0|1,0,0]=3 160 B12R1.107 O=C(O)CC(=O)C1=CC=CC=C1 C07114 [0,2,0,0,0,0|1,0,1]=4 161 B12R1.5 CN(N=O)C1=CC=C(N=O)C=C1 C19452 [0,2,0,0,0,0|2,0,0]=4 162 B12R1.20 CC(C(=O)O)C1=CC=C(O)C=C1 C03080 [0,2,0,0,0,0|0,0,0]=2 163 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(O)C=C1 C03493 [0,2,0,0,0,0|1,0,0]=3 164 B12R1.20 N[C@H](C(=O)O)C1=CC=C(O)C=C1 C12323 [0,2,0,0,0,0|1,0,0]=3 165 B12R1.20 O=C(O)C(=O)C1=CC=C(O)C=C1 C03590 [0,2,0,0,0,0|1,0,1]=4 166 B12R1.20 O=C(O)C(O)C1=CC=C(O)C=C1 C11527 [0,2,0,0,0,0|1,0,0]=3 167 B12R1.20 O=C(O)[C@@H](O)C1=CC=C(O)C=C1 C03198 [0,2,0,0,0,0|1,0,0]=3 168 B12R1.20 O=C(O)[C@H](O)C1=CC=C(O)C=C1 C05343 [0,2,0,0,0,0|1,0,0]=3 169 B12R1.367 O=CC(O)C1=CC(O)=C(O)C=C1 C05577 [0,2,0,0,0,0|1,0,0]=3 170 B12R1.124 NC1=CC=CC=C1C(=O)C(=O)O C21155 [0,2,0,0,0,0|1,0,1]=4 171 B10R2.6 C1=CC=C(C2CO2)C=C1 C02083 [1,0,0,1,0,0|0,0,1]=3 172 B10R2.6 C1=CC=C([C@H]2CO2)C=C1 C20782 [1,0,0,1,0,0|0,0,1]=3 173 B10R2.7 C1=CC2=C(C=C1)NC=C2 C00463 [1,0,0,1,0,0|1,0,1]=4 174 B10R2.7 C1=CC=C2NC=NC2=C1 C02009 [1,0,0,1,0,0|2,0,0]=4 175 B10R2.7 C1=CC=C2OC=CC2=C1 C14512 [1,0,0,1,0,0|0,0,2]=4 176 B12R2.18 O=C1NC2=C(C=CC=C2)C1=O C11129 [0,0,0,1,0,1|1,0,1]=4 177 B12R2.24 CC1=CC=C2C=CC=CC2=C1 C14098 [0,0,0,1,0,1|1,0,1]=4 178 B12R2.1 NCC1=CNC2=CC=CC=C12 C21601 [0,1,0,1,0,0|1,0,1]=4 179 B12R2.1 O=CC1=CNC2=C1C=CC=C2 C08493 [0,1,0,1,0,0|0,0,2]=4 180 B12R2.1081 CC1=C2C=CC=CC2=CC=C1 C14082 [0,1,0,1,0,0|1,0,1]=4 181 B12R2.2028 O=C1CC(O)C2=C1C=CC=C2 C07720 [0,1,0,1,0,0|1,0,0]=3 182 B8R1.8 O=CCC1=CNC=N1 C05130 [1,0,0,0,1,0|2,0,0]=4