0 B10R1.17 CCCCC1=CC=CC=C1 C18150 [0,0,0,0,0,0|1,0,1]=2 1 B10R1.17 COCCC1=NC=CC=C1 C18396 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.17 N#CSCC1=CC=CC=C1 C02660 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.17 NNCCC1=CC=CC=C1 C07430 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.17 NNCCC1=CC=CC=C1 C07431 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.17 O=CNCC1=CC=CC=C1 C15561 [0,0,0,0,0,0|1,0,0]=1 6 B10R1.17 O=COCC1=CC=CC=C1 C05613 [0,0,0,0,0,0|1,0,0]=1 7 B10R1.17 O=C\C=C\C1=CC=CC=C1 C00903 [0,0,0,0,0,0|0,0,2]=2 8 B10R1.17 OC\C=C\C1=CC=CC=C1 C02394 [0,0,0,0,0,0|0,0,4]=4 9 B10R1.17 O\N=C/CC1=CC=CC=C1 C16075 [0,0,0,0,0,0|1,0,2]=3 10 B10R1.17 O\N=C\CC1=CC=CC=C1 C19714 [0,0,0,0,0,0|1,0,2]=3 11 B10R1.17 S=C=NCC1=CC=CC=C1 C03098 [0,0,0,0,0,0|1,1,1]=3 12 B9R1.8 CCNC1=CC=CC=C1 C14455 [1,0,0,0,0,0|1,0,1]=3 13 B9R1.8 N#CCC1=CC=CC=C1 C16074 [1,0,0,0,0,0|1,0,1]=3 14 B9R1.8 NCCC1=CC=CC=C1 C05332 [1,0,0,0,0,0|1,0,0]=2 15 B9R1.8 O=CCC1=CC=CC=C1 C00601 [1,0,0,0,0,0|0,0,0]=1 16 B9R1.8 OCCC1=CC=CC=C1 C05853 [1,0,0,0,0,0|0,0,1]=2 17 B11R1.1 C(CC1=CC=C(O)C=C1)=N/O C04350 [0,1,0,0,0,0|1,0,2]=4 18 B11R1.1 C(CC1=CC=C(O)C=C1)=N\O C04353 [0,1,0,0,0,0|1,0,2]=4 19 B11R1.1 CCCCC1=CC=C(O)C=C1 C14464 [0,1,0,0,0,0|1,0,1]=3 20 B11R1.1 CNCCC1=CC=C(O)C=C1 C02442 [0,1,0,0,0,0|2,0,0]=3 21 B11R1.1 O=CCCC1=CC=C(O)C=C1 C16706 [0,1,0,0,0,0|0,0,0]=1 22 B11R1.1 O=C\C=C\C1=CC=C(O)C=C1 C05608 [0,1,0,0,0,0|0,0,2]=3 23 B11R1.16 CNCC(O)C1=CC=CC=C1 C03711 [0,1,0,0,0,0|2,0,0]=3 24 B11R1.28 C#CC#CCC1=CC=CC=C1 C17717 [0,1,0,0,0,0|1,0,2]=4 25 B11R1.28 O\N=C\CCC1=CC=CC=C1 C17236 [0,1,0,0,0,0|0,0,1]=2 26 B11R1.40 CN[C@@H](C)CC1=CC=CC=C1 C07164 [0,1,0,0,0,0|2,0,0]=3 27 B11R1.40 O\N=C(/S)CC1=CC=CC=C1 C03719 [0,1,0,0,0,0|1,0,2]=4 28 B11R1.91 CC(=O)OCC1=CC=CC=C1 C15513 [0,1,0,0,0,0|1,0,0]=2 29 B11R1.91 CC(=O)ONC1=CC=CC=C1 C02709 [0,1,0,0,0,0|2,0,0]=3 30 B11R1.91 CC(=O)O[Hg]C1=CC=CC=C1 C11151 [0,1,0,0,0,0|2,0,0]=3 31 B11R1.91 NC(=O)NNC1=CC=CC=C1 C19498 [0,1,0,0,0,0|2,0,0]=3 32 B11R1.91 O=C(O)CCC1=CC=CC=C1 C05629 [0,1,0,0,0,0|0,0,0]=1 33 B11R1.91 O=C(O)COC1=CC=CC=C1 C02181 [0,1,0,0,0,0|1,0,0]=2 34 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 C00423 [0,1,0,0,0,0|0,0,2]=3 35 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 C10438 [0,1,0,0,0,0|0,0,2]=3 36 B11R1.91 [O-]\[N+](O)=C\CC1=CC=CC=C1 C21623 [0,1,0,0,0,0|1,0,2]=4 37 B11R2.1 CC1=CNC2=C1C=CC=C2 C08313 [0,0,0,1,0,0|2,0,1]=4 38 B11R2.1 NC1=CNC2=CC=CC=C12 C01819 [0,0,0,1,0,0|2,0,1]=4 39 B11R2.1 O=C1CCC2=C1C=CC=C2 C01504 [0,0,0,1,0,0|0,0,0]=1 40 B11R2.1 OC1=CNC2=CC=CC=C12 C05658 [0,0,0,1,0,0|1,0,2]=4 41 B11R2.1 OC1CCC2=C1C=CC=C2 C01710 [0,0,0,1,0,0|0,0,2]=3 42 B11R2.4 N[C@@H]1CC1C2=CC=CC=C2 C07155 [0,0,0,1,0,0|1,0,1]=3 43 B11R2.20 C1=CC2=C(C=C1)C=CC=C2 C00829 [0,0,0,1,0,0|1,0,2]=4 44 B11R2.20 C1=CC2=C(C=C1)C=NC=C2 C06323 [0,0,0,1,0,0|2,0,1]=4 45 B11R2.20 C1=CC2=C(C=C1)N=CC=C2 C06413 [0,0,0,1,0,0|1,0,2]=4 46 B11R2.20 C1=CC2=NC=CN=C2C=C1 C18575 [0,0,0,1,0,0|2,0,1]=4 47 B11R2.20 C1=CC=C2CCCCC2=C1 C14114 [0,0,0,1,0,0|1,0,1]=3 48 B9R1.12 C(=O)NCC1=CC=CO1 C02854 [0,0,0,0,1,0|2,0,0]=3 49 B8R1.2 C=CC1=CC=CC=C1 C07083 [2,0,0,0,0,0|0,0,1]=3 50 B8R1.2 C=CC1=CC=CC=C1 C19506 [2,0,0,0,0,0|0,0,1]=3 51 B8R1.2 C=CC1=CC=CC=C1 C19573 [2,0,0,0,0,0|0,0,1]=3 52 B8R1.2 C=CC1=CC=CC=C1 C19575 [2,0,0,0,0,0|0,0,1]=3 53 B8R1.2 CCC1=CC=CC=C1 C07111 [2,0,0,0,0,0|0,0,0]=2 54 B8R1.2 CNC1=CC=CC=C1 C02299 [2,0,0,0,0,0|1,0,0]=3 55 B8R1.2 COC1=CC=CC=C1 C01403 [2,0,0,0,0,0|1,0,0]=3 56 B8R1.2 ClCC1=CC=CC=C1 C19167 [2,0,0,0,0,0|1,0,0]=3 57 B8R1.2 N#CC1=CC=CC=C1 C09814 [2,0,0,0,0,0|1,0,1]=4 58 B8R1.2 N#[N+]C1=CC=CC=C1 C20284 [2,0,0,0,0,0|2,0,0]=4 59 B8R1.2 NCC1=CC=CC=C1 C15562 [2,0,0,0,0,0|1,0,0]=3 60 B8R1.2 NCC1=CC=CC=N1 C17926 [2,0,0,0,0,0|2,0,0]=4 61 B8R1.2 NNC1=CC=CC=C1 C02304 [2,0,0,0,0,0|2,0,0]=4 62 B8R1.2 O=CC1=CC=CC=C1 C00193 [2,0,0,0,0,0|0,0,0]=2 63 B8R1.2 O=CC1=CC=CC=C1 C00261 [2,0,0,0,0,0|0,0,0]=2 64 B8R1.2 O=CC1=CN=CC=C1 C07327 [2,0,0,0,0,0|1,0,0]=3 65 B8R1.2 O=NC1=CC=CC=C1 C06876 [2,0,0,0,0,0|1,0,0]=3 66 B8R1.2 O=[C]C1=CC=NC=C1 C21754 [2,0,0,0,0,0|1,0,1]=4 67 B8R1.2 OCC1=CC=CC=C1 C00556 [2,0,0,0,0,0|0,0,1]=3 68 B8R1.2 OCC1=CC=CC=C1 C03485 [2,0,0,0,0,0|0,0,1]=3 69 B8R1.2 ONC1=CC=CC=C1 C02720 [2,0,0,0,0,0|1,0,1]=4 70 B10R1.1 C=CCC1=CC=C(O)C=C1 C16930 [1,1,0,0,0,0|0,0,1]=3 71 B10R1.1 CCCC1=CC=C(O)C=C1 C14311 [1,1,0,0,0,0|0,0,1]=3 72 B10R1.1 C\C=C\C1=CC=C(O)C=C1 C20464 [1,1,0,0,0,0|1,0,1]=4 73 B10R1.1 N#CCC1=CC=C(Cl)C=C1 C03679 [1,1,0,0,0,0|1,0,1]=4 74 B10R1.1 N#CCC1=CC=C(O)C=C1 C03766 [1,1,0,0,0,0|1,0,1]=4 75 B10R1.1 NCCC1=CC=C(O)C=C1 C00483 [1,1,0,0,0,0|1,0,0]=3 76 B10R1.1 O=CCC1=CC=C(O)C=C1 C03765 [1,1,0,0,0,0|0,0,0]=2 77 B10R1.1 OCCC1=CC=C(O)C=C1 C06044 [1,1,0,0,0,0|0,0,1]=3 78 B10R1.1 [*]C1=CC=C(CC#N)C=C1 C04116 [1,1,0,0,0,0|1,0,1]=4 79 B10R1.4 CC1=C(CC#N)C=CC=C1 C02596 [1,1,0,0,0,0|1,0,1]=4 80 B10R1.15 C=C(C=O)C1=CC=CC=C1 C16592 [1,1,0,0,0,0|0,0,1]=3 81 B10R1.15 CCC(C)C1=CC=CC=C1 C14142 [1,1,0,0,0,0|0,0,1]=3 82 B10R1.15 N#C[C@@H](O)C1=CC=CC=C1 C02615 [1,1,0,0,0,0|1,0,1]=4 83 B10R1.15 N#C[C@H](O)C1=CC=CC=C1 C00561 [1,1,0,0,0,0|1,0,1]=4 84 B10R1.15 NC(=S=O)C1=CC=CC=C1 C16283 [1,1,0,0,0,0|1,0,1]=4 85 B10R1.15 NCC(O)C1=CC=CC=C1 C02735 [1,1,0,0,0,0|1,0,0]=3 86 B10R1.15 O=C(CO)C1=CC=CC=C1 C07189 [1,1,0,0,0,0|0,0,2]=4 87 B10R1.18 CC(=O)CC1=CC=CC=C1 C15512 [1,1,0,0,0,0|0,0,0]=2 88 B10R1.18 CC(=O)NC1=CC=CC=C1 C07565 [1,1,0,0,0,0|1,0,0]=3 89 B10R1.18 CC(=O)OC1=CC=CC=C1 C00548 [1,1,0,0,0,0|1,0,0]=3 90 B10R1.18 CC(=O)OC1=CC=CC=C1 C15583 [1,1,0,0,0,0|1,0,0]=3 91 B10R1.18 CC(N)CC1=CC=CC=C1 C07514 [1,1,0,0,0,0|0,0,1]=3 92 B10R1.18 C[C@H](N)CC1=CC=CC=C1 C07884 [1,1,0,0,0,0|0,0,1]=3 93 B10R1.18 NC(=O)CC1=CC=CC=C1 C02505 [1,1,0,0,0,0|0,0,0]=2 94 B10R1.18 NC(=S)CC1=CC=CC=N1 C15663 [1,1,0,0,0,0|1,1,0]=4 95 B10R1.18 O=C(O)CC1=CC=CC=C1 C07086 [1,1,0,0,0,0|0,0,0]=2 96 B10R1.18 [*]C(=O)NC1=CC=CC=C1 C00484 [1,1,0,0,0,0|1,0,0]=3 97 B10R1.18 [*]C(=O)NC1=CC=CC=C1 C01402 [1,1,0,0,0,0|1,0,0]=3 98 B10R1.27 N[C@H](C=O)CC1=CNC=N1 C01929 [0,1,0,0,1,0|2,0,0]=4 99 B10R1.66 O=C(O)CCC1=CNC=N1 C20522 [0,1,0,0,1,0|2,0,0]=4 100 B12R1.1 CCCCCC1=CC=C(O)C=C1 C14466 [0,2,0,0,0,0|1,0,1]=4 101 B12R1.1 CCCCOC1=CC=C(O)C=C1 C14351 [0,2,0,0,0,0|1,0,1]=4 102 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 C04548 [0,2,0,0,0,0|2,0,0]=4 103 B12R1.16 CNC[C@H](O)C1=CC=C(O)C=C1 C01869 [0,2,0,0,0,0|2,0,0]=4 104 B12R1.21 CC(=O)\C=C\C1=CC=C(O)C=C1 C12088 [0,2,0,0,0,0|0,0,2]=4 105 B12R1.21 CC(C)CCC1=CC=C(O)C=C1 C14697 [0,2,0,0,0,0|1,0,1]=4 106 B12R1.21 CC(O)CCC1=CC=C(O)C=C1 C17690 [0,2,0,0,0,0|0,0,2]=4 107 B12R1.21 CN(C)CCC1=CC=C(O)C=C1 C06199 [0,2,0,0,0,0|2,0,0]=4 108 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 C01744 [0,2,0,0,0,0|0,0,0]=2 109 B12R1.21 O=C(O)COC1=CC=C(Cl)C=C1 C07088 [0,2,0,0,0,0|1,0,0]=3 110 B12R1.21 O=C(O)COC1=CC=C(O)C=C1 C03235 [0,2,0,0,0,0|1,0,0]=3 111 B12R1.21 O=C(O)\C=C/C1=CC=C(O)C=C1 C06738 [0,2,0,0,0,0|0,0,2]=4 112 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 C00811 [0,2,0,0,0,0|0,0,2]=4 113 B12R1.69 CCCCC1=CC=C(O)C=C1O C18343 [0,2,0,0,0,0|1,0,1]=4 114 B12R1.71 COC1=CC=C(\C=C\C=O)C=C1 C10475 [0,2,0,0,0,0|0,0,2]=4 115 B12R1.385 CNCCC1=CC=C(O)C(O)=C1 C07453 [0,2,0,0,0,0|2,0,0]=4 116 B12R1.385 O=C\C=C\C1=CC=C(O)C(O)=C1 C10945 [0,2,0,0,0,0|0,0,2]=4 117 B12R1.17 CNC[C@H](O)C1=CC(O)=CC=C1 C07441 [0,2,0,0,0,0|2,0,0]=4 118 B12R1.30 O=CCCC(=O)C1=CN=CC=C1 C19567 [0,2,0,0,0,0|1,0,0]=3 119 B12R1.34 CN[C@@H](C)[C@@H](O)C1=CC=CC=C1 C02765 [0,2,0,0,0,0|2,0,0]=4 120 B12R1.34 CN[C@@H](C)[C@H](O)C1=CC=CC=C1 C01575 [0,2,0,0,0,0|2,0,0]=4 121 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 C20488 [0,2,0,0,0,0|0,0,0]=2 122 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 C20487 [0,2,0,0,0,0|0,0,0]=2 123 B12R1.107 O=C(O)CC(=O)C1=CC=CC=C1 C07114 [0,2,0,0,0,0|0,0,1]=3 124 B12R1.125 O=C(O)CCC1=CC=CC=C1O C01198 [0,2,0,0,0,0|0,0,0]=2 125 B12R1.125 O=C(O)\C=C/C1=CC=CC=C1O C05838 [0,2,0,0,0,0|0,0,2]=4 126 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1O C01772 [0,2,0,0,0,0|0,0,2]=4 127 B12R1.226 O=C(O)CCC1=CC(O)=CC=C1 C11457 [0,2,0,0,0,0|0,0,0]=2 128 B12R1.226 O=C(O)\C=C\C1=CC=CC(O)=C1 C12621 [0,2,0,0,0,0|0,0,2]=4 129 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 C06358 [0,2,0,0,0,0|0,0,2]=4 130 B12R1.27 [*]OC(=O)\C=C\C1=CC=CC=C1 C06357 [0,2,0,0,0,0|0,0,2]=4 131 B12R1.32 C#CCN(C)CC1=CC=CC=C1 C07414 [0,2,0,0,0,0|1,0,1]=4 132 B12R1.252 CC(=O)NCCC1=CC=CC=C1 C06746 [0,2,0,0,0,0|0,0,0]=2 133 B12R1.252 CC(=O)OCCC1=CC=CC=C1 C12303 [0,2,0,0,0,0|0,0,0]=2 134 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O C02057 [0,2,0,0,0,0|0,0,0]=2 135 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O C00079 [0,2,0,0,0,0|0,0,0]=2 136 B12R1.43 N[C@@H](CC1=CCC=CC1)C(=O)O C08273 [0,2,0,0,0,0|0,0,2]=4 137 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O C02265 [0,2,0,0,0,0|0,0,0]=2 138 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 C00166 [0,2,0,0,0,0|0,0,1]=3 139 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 C05607 [0,2,0,0,0,0|0,0,0]=2 140 B12R1.43 O=C(O)\C(O)=C\C1=CC=CC=C1 C02763 [0,2,0,0,0,0|0,0,2]=4 141 B12R1.194 CNC(C)(C)CC1=CC=CC=C1 C07889 [0,2,0,0,0,0|2,0,0]=4 142 B10R2.6 C1=CC=C(C2CO2)C=C1 C02083 [1,0,0,1,0,0|0,0,1]=3 143 B10R2.6 C1=CC=C([C@H]2CO2)C=C1 C20782 [1,0,0,1,0,0|0,0,1]=3 144 B10R2.7 C1=CC2=C(C=C1)NC=C2 C00463 [1,0,0,1,0,0|1,0,1]=4 145 B10R2.7 C1=CC=C2NC=NC2=C1 C02009 [1,0,0,1,0,0|2,0,0]=4 146 B10R2.7 C1=CC=C2OC=CC2=C1 C14512 [1,0,0,1,0,0|0,0,2]=4 147 B12R2.24 O=C1C=CC2=C(C=CC=C2)N1 C06415 [0,1,0,1,0,0|0,0,2]=4 148 B12R2.24 O=C1C=CC2=C(C=CC=C2)O1 C05851 [0,1,0,1,0,0|0,0,2]=4 149 B12R2.24 O=C1CC2=C(C=CC=C2)CO1 C07728 [0,1,0,1,0,0|1,0,0]=3 150 B12R2.24 O=C1CCC2=C(C=CC=C2)O1 C02274 [0,1,0,1,0,0|0,0,0]=2 151 B12R2.24 OC1=CC=C2CCCCC2=C1 C14309 [0,1,0,1,0,0|1,0,1]=4 152 B12R2.1081 O=C1NC=CC2=C1C=CC=C2 C06324 [0,1,0,1,0,0|0,0,2]=4 153 B12R2.1081 O=C1NN=CC2=C1C=CC=C2 C14473 [0,1,0,1,0,0|1,0,1]=4 154 B12R2.1081 O=C1OCCC2=C1C=NC=C2 C09957 [0,1,0,1,0,0|1,0,0]=3 155 B12R2.2028 O=C1CC(O)C2=C1C=CC=C2 C07720 [0,1,0,1,0,0|0,0,0]=2 156 B12R2.1 O=CC1=CNC2=C1C=CC=C2 C08493 [0,1,0,1,0,0|0,0,2]=4 157 B12R2.2057 C1=CC=C(OCC2CO2)C=C1 C19291 [0,1,0,1,0,0|0,0,2]=4 158 B12R2.18 O=C1NC2=C(C=CC=C2)C1=O C11129 [0,1,0,1,0,0|1,0,1]=4 159 B8R1.8 O=CCC1=CNC=N1 C05130 [1,0,0,0,1,0|2,0,0]=4