0 B10R1.18 CC(=O)CC1=CC=CC=C1 C15512 [0,0,0,0,0,0|1,0,1]=2 1 B10R1.18 CC(=O)NC1=CC=CC=C1 C07565 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.18 CC(=O)OC1=CC=CC=C1 C00548 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.18 CC(=O)OC1=CC=CC=C1 C15583 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.18 CC(N)CC1=CC=CC=C1 C07514 [0,0,0,0,0,0|0,0,0]=0 5 B10R1.18 C[C@H](N)CC1=CC=CC=C1 C07884 [0,0,0,0,0,0|0,0,0]=0 6 B10R1.18 NC(=O)CC1=CC=CC=C1 C02505 [0,0,0,0,0,0|1,0,1]=2 7 B10R1.18 NC(=S)CC1=CC=CC=N1 C15663 [0,0,0,0,0,0|2,0,1]=3 8 B10R1.18 O=C(O)CC1=CC=CC=C1 C07086 [0,0,0,0,0,0|2,0,1]=3 9 B10R1.18 [*]C(=O)NC1=CC=CC=C1 C00484 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.18 [*]C(=O)NC1=CC=CC=C1 C01402 [0,0,0,0,0,0|3,0,1]=4 11 B9R1.8 CCNC1=CC=CC=C1 C14455 [1,0,0,0,0,0|1,0,0]=2 12 B9R1.8 N#CCC1=CC=CC=C1 C16074 [1,0,0,0,0,0|0,0,2]=3 13 B9R1.8 NCCC1=CC=CC=C1 C05332 [1,0,0,0,0,0|0,0,0]=1 14 B9R1.8 O=CCC1=CC=CC=C1 C00601 [1,0,0,0,0,0|1,0,1]=3 15 B9R1.8 OCCC1=CC=CC=C1 C05853 [1,0,0,0,0,0|1,0,0]=2 16 B11R1.20 CC(=O)NC1=CC=C(Cl)C=C1 C14494 [0,1,0,0,0,0|2,0,1]=4 17 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 C06804 [0,1,0,0,0,0|2,0,1]=4 18 B11R1.20 CC(=O)OC1=CC=C(C)C=C1 C01963 [0,1,0,0,0,0|2,0,1]=4 19 B11R1.20 CC(=O)OC1=CC=C(O)C=C1 C13636 [0,1,0,0,0,0|2,0,1]=4 20 B11R1.20 NC(=S)NC1=CC=C(Br)C=C1 C14644 [0,1,0,0,0,0|2,0,1]=4 21 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 C03076 [0,1,0,0,0,0|2,0,1]=4 22 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 C03077 [0,1,0,0,0,0|2,0,1]=4 23 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 C00642 [0,1,0,0,0,0|2,0,1]=4 24 B11R1.20 [*]C1=CC=C(CC(=O)O)C=C1 C03768 [0,1,0,0,0,0|2,0,1]=4 25 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 C17268 [0,1,0,0,0,0|1,0,2]=4 26 B11R1.36 C[C@@H](N)[C@@H](O)C1=CC=CC=C1 C02343 [0,1,0,0,0,0|0,0,0]=1 27 B11R1.36 C[C@H](N)C(=O)C1=CC=CC=C1 C08301 [0,1,0,0,0,0|0,0,1]=2 28 B11R1.36 C[C@H](N)[C@@H](O)C1=CC=CC=C1 C08300 [0,1,0,0,0,0|0,0,0]=1 29 B11R1.36 C[C@H](N)[C@H](O)C1=CC=CC=C1 C07911 [0,1,0,0,0,0|0,0,0]=1 30 B11R1.36 C[C@H](N)[C@H](O)C1=CC=CC=C1 C16719 [0,1,0,0,0,0|0,0,0]=1 31 B11R1.36 NC(=O)[C@H](O)C1=CC=CC=C1 C07301 [0,1,0,0,0,0|1,0,1]=3 32 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 C18623 [0,1,0,0,0,0|2,0,1]=4 33 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 C01984 [0,1,0,0,0,0|2,0,1]=4 34 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 C01983 [0,1,0,0,0,0|2,0,1]=4 35 B11R1.40 CN[C@@H](C)CC1=CC=CC=C1 C07164 [0,1,0,0,0,0|0,0,0]=1 36 B11R1.40 O\N=C(/S)CC1=CC=CC=C1 C03719 [0,1,0,0,0,0|1,0,2]=4 37 B11R1.86 CC(=O)NC1=C(Cl)C=CC=C1 C14619 [0,1,0,0,0,0|2,0,1]=4 38 B11R1.86 O=C(O)CC1=CC=CC=C1O C05852 [0,1,0,0,0,0|2,0,1]=4 39 B11R1.157 CC(=O)OC1=CC(O)=CC=C1 C12064 [0,1,0,0,0,0|2,0,1]=4 40 B11R1.157 CC(N)CC1=CC(O)=CC=C1 C11776 [0,1,0,0,0,0|0,0,0]=1 41 B11R1.157 O=C(O)CC1=CC(O)=CC=C1 C05593 [0,1,0,0,0,0|2,0,1]=4 42 B11R1.509 CC(C)(N)CC1=CC=CC=C1 C07438 [0,1,0,0,0,0|0,0,0]=1 43 B11R1.509 O=S(=O)(F)CC1=CC=CC=C1 C06747 [0,1,0,0,0,0|3,0,0]=4 44 B11R1.509 [*][N+](C)(C)CC1=CC=CC=C1 C08037 [0,1,0,0,0,0|2,0,0]=3 45 B11R2.4 N[C@@H]1CC1C2=CC=CC=C2 C07155 [0,0,0,1,0,0|0,0,0]=1 46 B11R2.10 NC1=NC2=C(C=CC=C2)N1 C10901 [0,0,0,1,0,0|2,0,1]=4 47 B11R2.10 O=C1CC2=C(C=CC=C2)N1 C12312 [0,0,0,1,0,0|1,0,1]=3 48 B11R2.10 O=C1CC2=CC=CC=C2C1 C07727 [0,0,0,1,0,0|1,0,1]=3 49 B9R1.6 C=C(C)C1=CC=CC=C1 C14395 [0,0,0,0,1,0|1,0,1]=3 50 B9R1.6 CC(=O)C1=CC=CC=C1 C07113 [0,0,0,0,1,0|1,0,1]=3 51 B9R1.6 CC(C)C1=CC=CC=C1 C14396 [0,0,0,0,1,0|1,0,0]=2 52 B9R1.6 CC(N)C1=CC=CC=C1 C02455 [0,0,0,0,1,0|0,0,0]=1 53 B9R1.6 CC(O)C1=CC=CC=C1 C07112 [0,0,0,0,1,0|1,0,0]=2 54 B9R1.6 CN(C)C1=CC=CC=C1 C02846 [0,0,0,0,1,0|2,0,0]=3 55 B9R1.6 C[C@H](O)C1=CC=CC=C1 C11348 [0,0,0,0,1,0|1,0,0]=2 56 B9R1.6 ClC(Cl)C1=CC=CC=C1 C19165 [0,0,0,0,1,0|2,0,0]=3 57 B9R1.6 N=C(N)C1=CC=CC=C1 C01784 [0,0,0,0,1,0|1,0,1]=3 58 B9R1.6 NC(=O)C1=CC=CC=C1 C09815 [0,0,0,0,1,0|1,0,1]=3 59 B9R1.6 NC(=O)C1=CC=NC=C1 C02421 [0,0,0,0,1,0|2,0,1]=4 60 B9R1.6 NC(=O)C1=CN=CC=C1 C00153 [0,0,0,0,1,0|2,0,1]=4 61 B9R1.6 NC(=O)C1=NC=CC=C1 C01950 [0,0,0,0,1,0|2,0,1]=4 62 B9R1.6 NC(=S)C1=CC=CC=C1 C16281 [0,0,0,0,1,0|1,0,1]=3 63 B9R1.6 O=C(Cl)C1=CC=CC=C1 C19168 [0,0,0,0,1,0|2,0,1]=4 64 B9R1.6 O=C(O)C1=CC=CC=C1 C00180 [0,0,0,0,1,0|2,0,1]=4 65 B9R1.6 O=C(O)C1=CC=CC=C1 C00539 [0,0,0,0,1,0|2,0,1]=4 66 B9R1.6 O=[N+]([O-])C1=CC=CC=C1 C06813 [0,0,0,0,1,0|3,0,0]=4 67 B9R1.6 OB(O)C1=CC=CC=C1 C16200 [0,0,0,0,1,0|3,0,0]=4 68 B9R1.6 [*]N([*])C1=CC=CC=C1 C02401 [0,0,0,0,1,0|3,0,0]=4 69 B11R1.91 CC(=O)OCC1=CC=CC=C1 C15513 [0,0,0,0,0,1|1,0,1]=3 70 B11R1.91 CC(=O)ONC1=CC=CC=C1 C02709 [0,0,0,0,0,1|2,0,1]=4 71 B11R1.91 CC(=O)O[Hg]C1=CC=CC=C1 C11151 [0,0,0,0,0,1|2,0,1]=4 72 B11R1.91 NC(=O)NNC1=CC=CC=C1 C19498 [0,0,0,0,0,1|2,0,1]=4 73 B11R1.91 O=C(O)CCC1=CC=CC=C1 C05629 [0,0,0,0,0,1|2,0,1]=4 74 B11R1.91 O=C(O)COC1=CC=CC=C1 C02181 [0,0,0,0,0,1|2,0,1]=4 75 B11R1.91 [O-]\[N+](O)=C\CC1=CC=CC=C1 C21623 [0,0,0,0,0,1|3,0,0]=4 76 B8R1.2 C=CC1=CC=CC=C1 C07083 [2,0,0,0,0,0|0,0,2]=4 77 B8R1.2 C=CC1=CC=CC=C1 C19506 [2,0,0,0,0,0|0,0,2]=4 78 B8R1.2 C=CC1=CC=CC=C1 C19573 [2,0,0,0,0,0|0,0,2]=4 79 B8R1.2 C=CC1=CC=CC=C1 C19575 [2,0,0,0,0,0|0,0,2]=4 80 B8R1.2 CCC1=CC=CC=C1 C07111 [2,0,0,0,0,0|0,0,0]=2 81 B8R1.2 CNC1=CC=CC=C1 C02299 [2,0,0,0,0,0|1,0,0]=3 82 B8R1.2 COC1=CC=CC=C1 C01403 [2,0,0,0,0,0|1,0,0]=3 83 B8R1.2 ClCC1=CC=CC=C1 C19167 [2,0,0,0,0,0|1,0,0]=3 84 B8R1.2 N#CC1=CC=CC=C1 C09814 [2,0,0,0,0,0|0,0,2]=4 85 B8R1.2 N#[N+]C1=CC=CC=C1 C20284 [2,0,0,0,0,0|1,0,1]=4 86 B8R1.2 NCC1=CC=CC=C1 C15562 [2,0,0,0,0,0|0,0,0]=2 87 B8R1.2 NCC1=CC=CC=N1 C17926 [2,0,0,0,0,0|1,0,0]=3 88 B8R1.2 NNC1=CC=CC=C1 C02304 [2,0,0,0,0,0|1,0,0]=3 89 B8R1.2 O=CC1=CC=CC=C1 C00193 [2,0,0,0,0,0|1,0,1]=4 90 B8R1.2 O=CC1=CC=CC=C1 C00261 [2,0,0,0,0,0|1,0,1]=4 91 B8R1.2 O=NC1=CC=CC=C1 C06876 [2,0,0,0,0,0|2,0,0]=4 92 B8R1.2 OCC1=CC=CC=C1 C00556 [2,0,0,0,0,0|1,0,0]=3 93 B8R1.2 OCC1=CC=CC=C1 C03485 [2,0,0,0,0,0|1,0,0]=3 94 B8R1.2 ONC1=CC=CC=C1 C02720 [2,0,0,0,0,0|2,0,0]=4 95 B10R1.1 C=CCC1=CC=C(O)C=C1 C16930 [1,1,0,0,0,0|0,0,2]=4 96 B10R1.1 CCCC1=CC=C(O)C=C1 C14311 [1,1,0,0,0,0|0,0,0]=2 97 B10R1.1 C\C=C\C1=CC=C(O)C=C1 C20464 [1,1,0,0,0,0|0,0,2]=4 98 B10R1.1 N#CCC1=CC=C(Cl)C=C1 C03679 [1,1,0,0,0,0|0,0,2]=4 99 B10R1.1 N#CCC1=CC=C(O)C=C1 C03766 [1,1,0,0,0,0|0,0,2]=4 100 B10R1.1 NCCC1=CC=C(O)C=C1 C00483 [1,1,0,0,0,0|0,0,0]=2 101 B10R1.1 O=CCC1=CC=C(O)C=C1 C03765 [1,1,0,0,0,0|1,0,1]=4 102 B10R1.1 OCCC1=CC=C(O)C=C1 C06044 [1,1,0,0,0,0|1,0,0]=3 103 B10R1.1 [*]C1=CC=C(CC#N)C=C1 C04116 [1,1,0,0,0,0|0,0,2]=4 104 B10R1.4 CC1=C(CC#N)C=CC=C1 C02596 [1,1,0,0,0,0|0,0,2]=4 105 B10R1.15 CCC(C)C1=CC=CC=C1 C14142 [1,1,0,0,0,0|0,0,0]=2 106 B10R1.15 COC(=O)C1=CC=CC=C1 C20645 [1,1,0,0,0,0|1,0,1]=4 107 B10R1.15 N#C[C@@H](O)C1=CC=CC=C1 C02615 [1,1,0,0,0,0|0,0,2]=4 108 B10R1.15 N#C[C@H](O)C1=CC=CC=C1 C00561 [1,1,0,0,0,0|0,0,2]=4 109 B10R1.15 NCC(O)C1=CC=CC=C1 C02735 [1,1,0,0,0,0|0,0,0]=2 110 B10R1.15 O=C(CO)C1=CC=CC=C1 C07189 [1,1,0,0,0,0|1,0,1]=4 111 B10R1.17 CCCCC1=CC=CC=C1 C18150 [1,1,0,0,0,0|0,0,0]=2 112 B10R1.17 COCCC1=NC=CC=C1 C18396 [1,1,0,0,0,0|1,0,0]=3 113 B10R1.17 N#CSCC1=CC=CC=C1 C02660 [1,1,0,0,0,0|0,0,2]=4 114 B10R1.17 NNCCC1=CC=CC=C1 C07430 [1,1,0,0,0,0|0,0,0]=2 115 B10R1.17 NNCCC1=CC=CC=C1 C07431 [1,1,0,0,0,0|0,0,0]=2 116 B10R1.17 O=CNCC1=CC=CC=C1 C15561 [1,1,0,0,0,0|1,0,1]=4 117 B10R1.17 O=COCC1=CC=CC=C1 C05613 [1,1,0,0,0,0|1,0,1]=4 118 B10R1.17 OC\C=C\C1=CC=CC=C1 C02394 [1,1,0,0,0,0|0,0,2]=4 119 B10R1.17 O\N=C/CC1=CC=CC=C1 C16075 [1,1,0,0,0,0|0,0,2]=4 120 B10R1.17 O\N=C\CC1=CC=CC=C1 C19714 [1,1,0,0,0,0|0,0,2]=4 121 B10R1.17 S=C=NCC1=CC=CC=C1 C03098 [1,1,0,0,0,0|1,0,1]=4 122 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 C06647 [0,1,0,0,1,0|1,0,1]=4 123 B10R1.13 CC(=O)C1=CC=C(O)C=C1 C10700 [0,1,0,0,1,0|1,0,1]=4 124 B10R1.13 CC(N)C1=CC=C(O)C=C1 C03473 [0,1,0,0,1,0|0,0,0]=2 125 B10R1.13 CC(O)C1=CC=C(O)C=C1 C13638 [0,1,0,0,1,0|1,0,0]=3 126 B10R1.13 CC1=CC=C(C(C)C)C=C1 C06575 [0,1,0,0,1,0|1,0,0]=3 127 B10R1.13 CN(C)C1=CC=C(N)C=C1 C04203 [0,1,0,0,1,0|2,0,0]=4 128 B10R1.13 N=C(N)C1=CC=C(N)C=C1 C11628 [0,1,0,0,1,0|1,0,1]=4 129 B10R1.28 C[N+](C)([O-])C1=CC=CC=C1 C01183 [0,1,0,0,1,0|2,0,0]=4 130 B10R1.28 ClC(Cl)(Cl)C1=CC=CC=C1 C19166 [0,1,0,0,1,0|2,0,0]=4 131 B10R1.113 NC(=O)C1=CC(Cl)=CC=C1 C11731 [0,1,0,0,1,0|1,0,1]=4 132 B10R1.27 N[C@H](CO)CC1=CNC=N1 C00860 [0,1,0,0,1,0|2,0,0]=4 133 B12R1.21 CC(C)CCC1=CC=C(O)C=C1 C14697 [0,1,0,0,0,1|1,0,0]=3 134 B12R1.21 CC(O)CCC1=CC=C(O)C=C1 C17690 [0,1,0,0,0,1|1,0,0]=3 135 B12R1.21 CN(C)CCC1=CC=C(O)C=C1 C06199 [0,1,0,0,0,1|2,0,0]=4 136 B12R1.106 CC(C)(N)CC1=CC=C(Cl)C=C1 C07559 [0,2,0,0,0,0|0,0,0]=2 137 B12R1.34 CN[C@@H](C)[C@@H](O)C1=CC=CC=C1 C02765 [0,2,0,0,0,0|0,0,0]=2 138 B12R1.34 CN[C@@H](C)[C@H](O)C1=CC=CC=C1 C01575 [0,2,0,0,0,0|0,0,0]=2 139 B12R1.34 C\N=C(/C)[C@H](O)C1=CC=CC=C1 C04351 [0,2,0,0,0,0|0,0,2]=4 140 B12R1.225 C[C@H](N)[C@H](O)C1=CC(O)=CC=C1 C07146 [0,2,0,0,0,0|0,0,0]=2 141 B12R1.32 C#CCN(C)CC1=CC=CC=C1 C07414 [0,2,0,0,0,0|2,0,0]=4 142 B12R1.32 CCNC(=O)CC1=CC=CC=C1 C11487 [0,2,0,0,0,0|1,0,1]=4 143 B12R1.194 CNC(C)(C)CC1=CC=CC=C1 C07889 [0,2,0,0,0,0|0,0,0]=2 144 B10R2.6 C1=CC=C(C2CO2)C=C1 C02083 [1,0,0,1,0,0|1,0,0]=3 145 B10R2.6 C1=CC=C([C@H]2CO2)C=C1 C20782 [1,0,0,1,0,0|1,0,0]=3 146 B10R2.7 C1=CC2=C(C=C1)NC=C2 C00463 [1,0,0,1,0,0|0,0,2]=4 147 B10R2.7 C1=CC=C2NC=NC2=C1 C02009 [1,0,0,1,0,0|1,0,1]=4 148 B12R2.24 O=C1CC2=C(C=CC=C2)CO1 C07728 [0,0,0,1,0,1|1,0,1]=4 149 B12R2.2057 C1=CC=C(OCC2CO2)C=C1 C19291 [0,0,0,1,0,1|1,0,0]=3 150 B12R2.18 CC1C(=O)NC2=CC=CC=C21 C02366 [0,1,0,1,0,0|1,0,1]=4 151 B12R2.18 O=C1NC2=C(C=CC=C2)C1O C11130 [0,1,0,1,0,0|1,0,1]=4 152 B12R2.32 ON=C1CC2=C(C=CC=C2)C1 C14639 [0,1,0,1,0,0|0,0,2]=4 153 B8R1.8 NCCC1=CNC=N1 C00388 [1,0,0,0,1,0|2,0,0]=4 154 B8R1.8 NCCC1=NC=CS1 C17927 [1,0,0,0,1,0|2,0,0]=4 155 B12R1.252 CC(=O)NCCC1=CC=CC=C1 C06746 [0,0,0,0,0,2|1,0,1]=4 156 B12R1.252 CC(=O)OCCC1=CC=CC=C1 C12303 [0,0,0,0,0,2|1,0,1]=4