0 B10R1.15 C=C(C=O)C1=CC=CC=C1 C16592 [0,0,0,0,0,0|1,0,3]=4 1 B10R1.15 CCC(C)C1=CC=CC=C1 C14142 [0,0,0,0,0,0|1,0,0]=1 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|1,0,3]=4 4 B10R1.15 N#C[C@@H](O)C1=CC=CC=C1 C02615 [0,0,0,0,0,0|1,0,2]=3 5 B10R1.15 N#C[C@H](O)C1=CC=CC=C1 C00561 [0,0,0,0,0,0|1,0,2]=3 6 B10R1.15 NC(=S=O)C1=CC=CC=C1 C16283 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.15 NCC(O)C1=CC=CC=C1 C02735 [0,0,0,0,0,0|1,0,0]=1 8 B10R1.15 NNC(=O)C1=CC=NC=C1 C07054 [0,0,0,0,0,0|3,0,1]=4 9 B10R1.15 O=C(CO)C1=CC=CC=C1 C07189 [0,0,0,0,0,0|2,0,1]=3 10 B9R1.6 C=C(C)C1=CC=CC=C1 C14395 [1,0,0,0,0,0|0,0,2]=3 11 B9R1.6 CC(=O)C1=CC=CC=C1 C07113 [1,0,0,0,0,0|1,0,1]=3 12 B9R1.6 CC(C)C1=CC=CC=C1 C14396 [1,0,0,0,0,0|0,0,0]=1 13 B9R1.6 CC(N)C1=CC=CC=C1 C02455 [1,0,0,0,0,0|0,0,0]=1 14 B9R1.6 CC(O)C1=CC=CC=C1 C07112 [1,0,0,0,0,0|1,0,0]=2 15 B9R1.6 CN(C)C1=CC=CC=C1 C02846 [1,0,0,0,0,0|1,0,0]=2 16 B9R1.6 C[C@H](O)C1=CC=CC=C1 C11348 [1,0,0,0,0,0|1,0,0]=2 17 B9R1.6 ClC(Cl)C1=CC=CC=C1 C19165 [1,0,0,0,0,0|2,0,0]=3 18 B9R1.6 N=C(N)C1=CC=CC=C1 C01784 [1,0,0,0,0,0|1,0,1]=3 19 B9R1.6 NC(=O)C1=CC=CC=C1 C09815 [1,0,0,0,0,0|1,0,1]=3 20 B9R1.6 NC(=O)C1=CC=NC=C1 C02421 [1,0,0,0,0,0|2,0,1]=4 21 B9R1.6 NC(=O)C1=CN=CC=C1 C00153 [1,0,0,0,0,0|2,0,1]=4 22 B9R1.6 NC(=O)C1=NC=CC=C1 C01950 [1,0,0,0,0,0|2,0,1]=4 23 B9R1.6 NC(=S)C1=CC=CC=C1 C16281 [1,0,0,0,0,0|1,0,1]=3 24 B9R1.6 O=C(Cl)C1=CC=CC=C1 C19168 [1,0,0,0,0,0|2,0,1]=4 25 B9R1.6 O=C(O)C1=CC=CC=C1 C00180 [1,0,0,0,0,0|2,0,1]=4 26 B9R1.6 O=C(O)C1=CC=CC=C1 C00539 [1,0,0,0,0,0|2,0,1]=4 27 B9R1.6 O=[N+]([O-])C1=CC=CC=C1 C06813 [1,0,0,0,0,0|3,0,0]=4 28 B9R1.6 OB(O)C1=CC=CC=C1 C16200 [1,0,0,0,0,0|3,0,0]=4 29 B9R1.6 [*]N([*])C1=CC=CC=C1 C02401 [1,0,0,0,0,0|3,0,0]=4 30 B9R1.8 CCNC1=CC=CC=C1 C14455 [1,0,0,0,0,0|2,0,0]=3 31 B9R1.8 N#CCC1=CC=CC=C1 C16074 [1,0,0,0,0,0|0,0,2]=3 32 B9R1.8 NCCC1=CC=CC=C1 C05332 [1,0,0,0,0,0|0,0,0]=1 33 B9R1.8 O=CCC1=CC=CC=C1 C00601 [1,0,0,0,0,0|1,0,1]=3 34 B9R1.8 OCCC1=CC=CC=C1 C05853 [1,0,0,0,0,0|1,0,0]=2 35 B11R1.16 CNCC(O)C1=CC=CC=C1 C03711 [0,1,0,0,0,0|1,0,0]=2 36 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 C13342 [0,1,0,0,0,0|2,0,1]=4 37 B11R1.22 CCC(C)C1=CC=C(O)C=C1 C14139 [0,1,0,0,0,0|1,0,0]=2 38 B11R1.22 N#CC(O)C1=CC=C(O)C=C1 C00650 [0,1,0,0,0,0|1,0,2]=4 39 B11R1.22 N#C[C@@H](O)C1=CC=C(O)C=C1 C03742 [0,1,0,0,0,0|1,0,2]=4 40 B11R1.22 NC[C@H](O)C1=CC=C(O)C=C1 C04227 [0,1,0,0,0,0|1,0,0]=2 41 B11R1.22 O=C(CO)C1=CC=C(O)C=C1 C13635 [0,1,0,0,0,0|2,0,1]=4 42 B11R1.36 C[C@@H](N)[C@@H](O)C1=CC=CC=C1 C02343 [0,1,0,0,0,0|1,0,0]=2 43 B11R1.36 C[C@H](N)C(=O)C1=CC=CC=C1 C08301 [0,1,0,0,0,0|1,0,1]=3 44 B11R1.36 C[C@H](N)[C@@H](O)C1=CC=CC=C1 C08300 [0,1,0,0,0,0|1,0,0]=2 45 B11R1.36 C[C@H](N)[C@H](O)C1=CC=CC=C1 C07911 [0,1,0,0,0,0|1,0,0]=2 46 B11R1.36 C[C@H](N)[C@H](O)C1=CC=CC=C1 C16719 [0,1,0,0,0,0|1,0,0]=2 47 B11R1.36 NC(=O)[C@H](O)C1=CC=CC=C1 C07301 [0,1,0,0,0,0|1,0,1]=3 48 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 C18623 [0,1,0,0,0,0|2,0,1]=4 49 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 C01984 [0,1,0,0,0,0|2,0,1]=4 50 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 C01983 [0,1,0,0,0,0|2,0,1]=4 51 B11R1.222 CCC(C)C1=CC=CC=C1O C14138 [0,1,0,0,0,0|1,0,0]=2 52 B11R2.1 CC1=CNC2=C1C=CC=C2 C08313 [0,0,0,1,0,0|0,0,2]=3 53 B11R2.1 NC1=CNC2=CC=CC=C12 C01819 [0,0,0,1,0,0|1,0,2]=4 54 B11R2.1 O=C1CCC2=C1C=CC=C2 C01504 [0,0,0,1,0,0|2,0,1]=4 55 B11R2.1 OC1=CNC2=CC=CC=C12 C05658 [0,0,0,1,0,0|1,0,2]=4 56 B11R2.1 OC1CCC2=C1C=CC=C2 C01710 [0,0,0,1,0,0|2,0,0]=3 57 B11R2.4 N[C@@H]1CC1C2=CC=CC=C2 C07155 [0,0,0,1,0,0|0,0,0]=1 58 B11R1.40 CN[C@@H](C)CC1=CC=CC=C1 C07164 [0,0,0,0,0,1|2,0,0]=3 59 B8R1.2 C=CC1=CC=CC=C1 C07083 [2,0,0,0,0,0|0,0,2]=4 60 B8R1.2 C=CC1=CC=CC=C1 C19506 [2,0,0,0,0,0|0,0,2]=4 61 B8R1.2 C=CC1=CC=CC=C1 C19573 [2,0,0,0,0,0|0,0,2]=4 62 B8R1.2 C=CC1=CC=CC=C1 C19575 [2,0,0,0,0,0|0,0,2]=4 63 B8R1.2 CCC1=CC=CC=C1 C07111 [2,0,0,0,0,0|0,0,0]=2 64 B8R1.2 CNC1=CC=CC=C1 C02299 [2,0,0,0,0,0|1,0,0]=3 65 B8R1.2 COC1=CC=CC=C1 C01403 [2,0,0,0,0,0|1,0,0]=3 66 B8R1.2 ClCC1=CC=CC=C1 C19167 [2,0,0,0,0,0|1,0,0]=3 67 B8R1.2 N#CC1=CC=CC=C1 C09814 [2,0,0,0,0,0|0,0,2]=4 68 B8R1.2 N#[N+]C1=CC=CC=C1 C20284 [2,0,0,0,0,0|1,0,1]=4 69 B8R1.2 NCC1=CC=CC=C1 C15562 [2,0,0,0,0,0|0,0,0]=2 70 B8R1.2 NCC1=CC=CC=N1 C17926 [2,0,0,0,0,0|1,0,0]=3 71 B8R1.2 NNC1=CC=CC=C1 C02304 [2,0,0,0,0,0|1,0,0]=3 72 B8R1.2 O=CC1=CC=CC=C1 C00193 [2,0,0,0,0,0|1,0,1]=4 73 B8R1.2 O=CC1=CC=CC=C1 C00261 [2,0,0,0,0,0|1,0,1]=4 74 B8R1.2 O=NC1=CC=CC=C1 C06876 [2,0,0,0,0,0|2,0,0]=4 75 B8R1.2 OCC1=CC=CC=C1 C00556 [2,0,0,0,0,0|1,0,0]=3 76 B8R1.2 OCC1=CC=CC=C1 C03485 [2,0,0,0,0,0|1,0,0]=3 77 B8R1.2 ONC1=CC=CC=C1 C02720 [2,0,0,0,0,0|2,0,0]=4 78 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 C06647 [1,1,0,0,0,0|1,0,1]=4 79 B10R1.13 CC(=O)C1=CC=C(O)C=C1 C10700 [1,1,0,0,0,0|1,0,1]=4 80 B10R1.13 CC(N)C1=CC=C(O)C=C1 C03473 [1,1,0,0,0,0|0,0,0]=2 81 B10R1.13 CC(O)C1=CC=C(O)C=C1 C13638 [1,1,0,0,0,0|1,0,0]=3 82 B10R1.13 CC1=CC=C(C(C)C)C=C1 C06575 [1,1,0,0,0,0|0,0,0]=2 83 B10R1.13 CC1=CC=C(C(C)C)CC1 C09898 [1,1,0,0,0,0|0,0,2]=4 84 B10R1.13 CC1=CCC(C(C)C)=CC1 C09900 [1,1,0,0,0,0|0,0,2]=4 85 B10R1.13 CC1=CC[C@@H](C(C)C)C=C1 C11391 [1,1,0,0,0,0|0,0,2]=4 86 B10R1.13 CC1=CC[C@H](C(C)C)C=C1 C09875 [1,1,0,0,0,0|0,0,2]=4 87 B10R1.13 CN(C)C1=CC=C(N)C=C1 C04203 [1,1,0,0,0,0|1,0,0]=3 88 B10R1.13 N=C(N)C1=CC=C(N)C=C1 C11628 [1,1,0,0,0,0|1,0,1]=4 89 B10R1.28 C[N+](C)([O-])C1=CC=CC=C1 C01183 [1,1,0,0,0,0|1,0,0]=3 90 B10R1.28 ClC(Cl)(Cl)C1=CC=CC=C1 C19166 [1,1,0,0,0,0|2,0,0]=4 91 B10R1.113 NC(=O)C1=CC(Cl)=CC=C1 C11731 [1,1,0,0,0,0|1,0,1]=4 92 B10R1.1 C=CCC1=CC=C(O)C=C1 C16930 [1,1,0,0,0,0|1,0,1]=4 93 B10R1.1 CCCC1=CC=C(O)C=C1 C14311 [1,1,0,0,0,0|1,0,0]=3 94 B10R1.1 N#CCC1=CC=C(Cl)C=C1 C03679 [1,1,0,0,0,0|0,0,2]=4 95 B10R1.1 N#CCC1=CC=C(O)C=C1 C03766 [1,1,0,0,0,0|0,0,2]=4 96 B10R1.1 NCCC1=CC=C(O)C=C1 C00483 [1,1,0,0,0,0|0,0,0]=2 97 B10R1.1 O=CCC1=CC=C(O)C=C1 C03765 [1,1,0,0,0,0|1,0,1]=4 98 B10R1.1 OCCC1=CC=C(O)C=C1 C06044 [1,1,0,0,0,0|1,0,0]=3 99 B10R1.1 [*]C1=CC=C(CC#N)C=C1 C04116 [1,1,0,0,0,0|0,0,2]=4 100 B10R1.4 CC1=C(CC#N)C=CC=C1 C02596 [1,1,0,0,0,0|0,0,2]=4 101 B10R1.17 CCCCC1=CC=CC=C1 C18150 [1,1,0,0,0,0|1,0,0]=3 102 B10R1.17 COCCC1=NC=CC=C1 C18396 [1,1,0,0,0,0|2,0,0]=4 103 B10R1.17 N#CSCC1=CC=CC=C1 C02660 [1,1,0,0,0,0|0,0,2]=4 104 B10R1.17 NNCCC1=CC=CC=C1 C07430 [1,1,0,0,0,0|0,0,0]=2 105 B10R1.17 NNCCC1=CC=CC=C1 C07431 [1,1,0,0,0,0|0,0,0]=2 106 B10R1.17 O=CNCC1=CC=CC=C1 C15561 [1,1,0,0,0,0|1,0,1]=4 107 B10R1.17 O=COCC1=CC=CC=C1 C05613 [1,1,0,0,0,0|1,0,1]=4 108 B10R1.17 OC\C=C\C1=CC=CC=C1 C02394 [1,1,0,0,0,0|1,0,1]=4 109 B10R1.17 O\N=C/CC1=CC=CC=C1 C16075 [1,1,0,0,0,0|0,0,2]=4 110 B10R1.17 O\N=C\CC1=CC=CC=C1 C19714 [1,1,0,0,0,0|0,0,2]=4 111 B10R1.17 S=C=NCC1=CC=CC=C1 C03098 [1,1,0,0,0,0|1,0,1]=4 112 B10R1.18 CC(=O)CC1=CC=CC=C1 C15512 [1,1,0,0,0,0|1,0,1]=4 113 B10R1.18 CC(N)CC1=CC=CC=C1 C07514 [1,1,0,0,0,0|0,0,0]=2 114 B10R1.18 C[C@H](N)CC1=CC=CC=C1 C07884 [1,1,0,0,0,0|0,0,0]=2 115 B10R1.18 NC(=O)CC1=CC=CC=C1 C02505 [1,1,0,0,0,0|0,0,1]=3 116 B10R1.18 NC(=S)CC1=CC=CC=N1 C15663 [1,1,0,0,0,0|1,0,1]=4 117 B10R1.18 O=C(O)CC1=CC=CC=C1 C07086 [1,1,0,0,0,0|1,0,1]=4 118 B12R1.32 C#CCN(C)CC1=CC=CC=C1 C07414 [0,1,0,0,0,1|2,0,0]=4 119 B12R1.34 CN[C@@H](C)[C@@H](O)C1=CC=CC=C1 C02765 [0,1,0,0,0,1|2,0,0]=4 120 B12R1.34 CN[C@@H](C)[C@H](O)C1=CC=CC=C1 C01575 [0,1,0,0,0,1|2,0,0]=4 121 B12R1.194 CNC(C)(C)CC1=CC=CC=C1 C07889 [0,1,0,0,0,1|2,0,0]=4 122 B12R1.9 CCC(C)(C)C1=CC=C(O)C=C1 C14226 [0,2,0,0,0,0|1,0,0]=3 123 B12R1.10 CC[N+](C)(C)C1=CC=CC(O)=C1 C06976 [0,2,0,0,0,0|2,0,0]=4 124 B12R1.478 O=C(O)C(CO)C1=CC=CC=C1 C01456 [0,2,0,0,0,0|1,0,1]=4 125 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 C04548 [0,2,0,0,0,0|1,0,0]=3 126 B12R1.16 CNC[C@H](O)C1=CC=C(O)C=C1 C01869 [0,2,0,0,0,0|1,0,0]=3 127 B12R1.17 CNC[C@H](O)C1=CC(O)=CC=C1 C07441 [0,2,0,0,0,0|1,0,0]=3 128 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 C20488 [0,2,0,0,0,0|2,0,0]=4 129 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 C20487 [0,2,0,0,0,0|2,0,0]=4 130 B12R1.20 CC(C(=O)O)C1=CC=C(O)C=C1 C03080 [0,2,0,0,0,0|1,0,1]=4 131 B12R1.367 NC[C@H](O)C1=CC=C(O)C(O)=C1 C00547 [0,2,0,0,0,0|1,0,0]=3 132 B12R1.367 OCC(O)C1=CC(O)=C(O)C=C1 C05576 [0,2,0,0,0,0|2,0,0]=4 133 B12R1.225 C[C@H](N)[C@H](O)C1=CC(O)=CC=C1 C07146 [0,2,0,0,0,0|1,0,0]=3 134 B10R1.2 C=CC1=CC=CC(O)C1O C07084 [0,0,1,1,0,0|2,0,0]=4 135 B10R2.6 C1=CC=C(C2CO2)C=C1 C02083 [1,0,0,1,0,0|1,0,0]=3 136 B10R2.6 C1=CC=C([C@H]2CO2)C=C1 C20782 [1,0,0,1,0,0|1,0,0]=3 137 B10R2.7 C1=CC2=C(C=C1)NC=C2 C00463 [1,0,0,1,0,0|0,0,2]=4 138 B10R2.7 C1=CC=C2NC=NC2=C1 C02009 [1,0,0,1,0,0|1,0,1]=4 139 B12R2.1 NCC1=CNC2=CC=CC=C12 C21601 [0,1,0,1,0,0|0,0,2]=4 140 B12R2.2 C1=CC([C@H]2CCCN2)=CN=C1 C11360 [0,1,0,1,0,0|2,0,0]=4 141 B12R2.2 C1=CN=CC(C2CCCN2)=C1 C06524 [0,1,0,1,0,0|2,0,0]=4 142 B12R2.2028 O=C1CC(O)C2=C1C=CC=C2 C07720 [0,1,0,1,0,0|2,0,0]=4 143 B12R2.196 CC1=CN=CC2=C1CC[C@@H]2C C09910 [0,1,0,1,0,0|2,0,0]=4 144 B8R1.8 NCCC1=CNC=N1 C00388 [1,0,0,0,1,0|2,0,0]=4 145 B8R1.8 NCCC1=NC=CS1 C17927 [1,0,0,0,1,0|2,0,0]=4