0 B9R1.8 BrCCC1=CC=CC=C1 019261 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.8 Br\C=C\C1=CC=CC=C1 049835 [0,0,0,0,0,0|2,0,2]=4 2 B9R1.8 C#CCC1=CC=CC=C1 080054 [0,0,0,0,0,0|1,0,2]=3 3 B9R1.8 C=CCC1=CC=CC=C1 005425 [0,0,0,0,0,0|1,0,2]=3 4 B9R1.8 C=CC[N+]1=CC=CC=C1 181022 [0,0,0,0,0,0|2,0,2]=4 5 B9R1.8 C=CSC1=CC=CC=C1 008052 [0,0,0,0,0,0|2,0,2]=4 6 B9R1.8 CC#CC1=CC=CC=C1 166000 [0,0,0,0,0,0|1,0,2]=3 7 B9R1.8 CCCC1=CC=CC=C1 095067 [0,0,0,0,0,0|1,0,0]=1 8 B9R1.8 CCCC1=CC=NC=C1 235894 [0,0,0,0,0,0|2,0,0]=2 9 B9R1.8 CCCC1=NC=CC=C1 242850 [0,0,0,0,0,0|0,0,0]=0 10 B9R1.8 CCCC1=NC=CN=C1 002735 [0,0,0,0,0,0|1,0,0]=1 11 B9R1.8 CCNC1=CC=CC=C1 216665 [0,0,0,0,0,0|2,0,0]=2 12 B9R1.8 CCOC1=CC=CC=C1 098890 [0,0,0,0,0,0|2,0,0]=2 13 B9R1.8 CCOC1=NC=CC=C1 049694 [0,0,0,0,0,0|1,0,0]=1 14 B9R1.8 CCSC1=CC=CC=C1 001759 [0,0,0,0,0,0|2,0,0]=2 15 B9R1.8 CCSC1=NC=CC=C1 095363 [0,0,0,0,0,0|1,0,0]=1 16 B9R1.8 CNCC1=CC=CC=C1 020695 [0,0,0,0,0,0|2,0,0]=2 17 B9R1.8 CNCC1=CC=NC=C1 046176 [0,0,0,0,0,0|3,0,0]=3 18 B9R1.8 CSCC1=CC=CC=C1 099640 [0,0,0,0,0,0|2,0,0]=2 19 B9R1.8 C\C=C/C1=CC=CC=C1 167700 [0,0,0,0,0,0|1,0,2]=3 20 B9R1.8 C\C=C\C1=CC=CC=C1 018868 [0,0,0,0,0,0|1,0,2]=3 21 B9R1.8 C\N=C\C1=CC=CC=C1 240625 [0,0,0,0,0,0|2,0,1]=3 22 B9R1.8 ClCCC1=CC=CC=C1 208883 [0,0,0,0,0,0|2,0,0]=2 23 B9R1.8 ClCCC1=CC=CC=N1 070463 [0,0,0,0,0,0|1,0,0]=1 24 B9R1.8 Cl[Mg]CC1=CC=CC=C1 103558 [0,0,0,0,0,0|3,0,0]=3 25 B9R1.8 ICCC1=CC=CC=C1 001087 [0,0,0,0,0,0|2,0,0]=2 26 B9R1.8 N#CCC1=NC=CC=C1 047908 [0,0,0,0,0,0|1,0,1]=2 27 B9R1.8 N#C[Se]C1=CC=CC=C1 005429 [0,0,0,0,0,0|3,0,1]=4 28 B9R1.8 NCCC1=CC=CC=C1 046873 [0,0,0,0,0,0|2,0,0]=2 29 B9R1.8 NCCC1=CC=CN=C1 010689 [0,0,0,0,0,0|3,0,0]=3 30 B9R1.8 NCCC1=CC=CN=C1 033239 [0,0,0,0,0,0|3,0,0]=3 31 B9R1.8 NCCC1=CC=CN=C1 065473 [0,0,0,0,0,0|3,0,0]=3 32 B9R1.8 NCCC1=CC=NC=C1 010690 [0,0,0,0,0,0|3,0,0]=3 33 B9R1.8 NCCC1=NC=CC=C1 013702 [0,0,0,0,0,0|1,0,0]=1 34 B9R1.8 NNCC1=CC=CC=C1 036859 [0,0,0,0,0,0|3,0,0]=3 35 B9R1.8 NOCC1=CC=CC=C1 036957 [0,0,0,0,0,0|3,0,0]=3 36 B9R1.8 O=C=NC1=CC=CC=C1 165700 [0,0,0,0,0,0|3,0,1]=4 37 B9R1.8 O=CCC1=CC=CC=C1 098878 [0,0,0,0,0,0|2,0,1]=3 38 B9R1.8 O=CNC1=CC=CC=C1 239406 [0,0,0,0,0,0|3,0,1]=4 39 B9R1.8 O=CNC1=NC=CC=C1 474802 [0,0,0,0,0,0|2,0,1]=3 40 B9R1.8 O=S=NC1=CC=CC=C1 341767 [0,0,0,0,0,0|4,0,0]=4 41 B9R1.8 OCCC1=CC=CC=C1 222397 [0,0,0,0,0,0|2,0,0]=2 42 B9R1.8 OCCC1=CC=CN=C1 017523 [0,0,0,0,0,0|3,0,0]=3 43 B9R1.8 OCCC1=CC=NC=C1 228335 [0,0,0,0,0,0|3,0,0]=3 44 B9R1.8 OCCC1=NC=CC=C1 223718 [0,0,0,0,0,0|1,0,0]=1 45 B9R1.8 ONCC1=CC=CC=C1 091512 [0,0,0,0,0,0|3,0,0]=3 46 B9R1.8 ONCC1=CC=CC=C1 238633 [0,0,0,0,0,0|3,0,0]=3 47 B9R1.8 O\N=C\C1=NC=CC=C1 180048 [0,0,0,0,0,0|2,0,1]=3 48 B9R1.8 O\N=C\C1=NC=CC=C1 227229 [0,0,0,0,0,0|2,0,1]=3 49 B9R1.8 S=C=NC1=CC=CC=C1 358191 [0,0,0,0,0,0|3,0,1]=4 50 B8R1.2 BrCC1=CC=CC=C1 003666 [1,0,0,0,0,0|2,0,0]=3 51 B8R1.2 BrCC1=CC=CN=C1 214585 [1,0,0,0,0,0|3,0,0]=4 52 B8R1.2 BrCC1=CC=NC=C1 067829 [1,0,0,0,0,0|3,0,0]=4 53 B8R1.2 BrCC1=NC=CC=C1 067831 [1,0,0,0,0,0|1,0,0]=2 54 B8R1.2 BrCC1=NC=NC=C1 231198 [1,0,0,0,0,0|2,0,0]=3 55 B8R1.2 Br[Mg]C1=CC=CC=C1 103487 [1,0,0,0,0,0|3,0,0]=4 56 B8R1.2 Br[Mg]C1=CC=CC=C1 214282 [1,0,0,0,0,0|3,0,0]=4 57 B8R1.2 C#CC1=CC=CC=C1 003009 [1,0,0,0,0,0|1,0,2]=4 58 B8R1.2 C#CC1=NC=CC=C1 078381 [1,0,0,0,0,0|0,0,2]=3 59 B8R1.2 C=CC1=CC=CC=C1 520455 [1,0,0,0,0,0|1,0,2]=4 60 B8R1.2 CCC1=CC=CC=C1 094632 [1,0,0,0,0,0|1,0,0]=2 61 B8R1.2 CCC1=CC=CC=N1 098941 [1,0,0,0,0,0|0,0,0]=1 62 B8R1.2 CCC1=CC=CN=C1 242838 [1,0,0,0,0,0|2,0,0]=3 63 B8R1.2 CCC1=CC=NC=C1 319885 [1,0,0,0,0,0|2,0,0]=3 64 B8R1.2 CCC1=NC=CN=C1 002727 [1,0,0,0,0,0|1,0,0]=2 65 B8R1.2 CC[N+]1=CC=CC=C1 046807 [1,0,0,0,0,0|2,0,0]=3 66 B8R1.2 CNC1=CC=CC=C1 094625 [1,0,0,0,0,0|2,0,0]=3 67 B8R1.2 CNC1=CC=CN=C1 079398 [1,0,0,0,0,0|3,0,0]=4 68 B8R1.2 CNC1=CC=NC=C1 208626 [1,0,0,0,0,0|3,0,0]=4 69 B8R1.2 CNC1=NC=CC=C1 233304 [1,0,0,0,0,0|1,0,0]=2 70 B8R1.2 COC1=CC=CC=C1 M03556 [1,0,0,0,0,0|2,0,0]=3 71 B8R1.2 COC1=CC=CN=C1 079847 [1,0,0,0,0,0|3,0,0]=4 72 B8R1.2 COC1=CC=NC=C1 045194 [1,0,0,0,0,0|3,0,0]=4 73 B8R1.2 COC1=NC=CC=C1 045214 [1,0,0,0,0,0|1,0,0]=2 74 B8R1.2 COC1=NC=CN=C1 002749 [1,0,0,0,0,0|2,0,0]=3 75 B8R1.2 CSC1=CC=CC=C1 002945 [1,0,0,0,0,0|2,0,0]=3 76 B8R1.2 CSC1=NC=CN=C1 009618 [1,0,0,0,0,0|2,0,0]=3 77 B8R1.2 ClCC1=CC=CC=C1 106800 [1,0,0,0,0,0|2,0,0]=3 78 B8R1.2 ClCC1=CC=CC=N1 026180 [1,0,0,0,0,0|1,0,0]=2 79 B8R1.2 ClCC1=CC=CN=C1 043884 [1,0,0,0,0,0|3,0,0]=4 80 B8R1.2 ClCC1=CC=NC=C1 050512 [1,0,0,0,0,0|3,0,0]=4 81 B8R1.2 ClCC1=NC=CC=N1 038565 [1,0,0,0,0,0|2,0,0]=3 82 B8R1.2 ClCC1=NC=CC=N1 077592 [1,0,0,0,0,0|2,0,0]=3 83 B8R1.2 Cl[Hg]C1=CC=CC=C1 101463 [1,0,0,0,0,0|3,0,0]=4 84 B8R1.2 Cl[Se]C1=CC=CC=C1 005554 [1,0,0,0,0,0|3,0,0]=4 85 B8R1.2 N#CC1=CC=CC=C1 035786 [1,0,0,0,0,0|2,0,1]=4 86 B8R1.2 N#CC1=CC=CC=C1 102548 [1,0,0,0,0,0|2,0,1]=4 87 B8R1.2 N#CC1=NC=CC=C1 050348 [1,0,0,0,0,0|1,0,1]=3 88 B8R1.2 N#CC1=NC=CC=N1 019246 [1,0,0,0,0,0|2,0,1]=4 89 B8R1.2 N#CC1=NC=CN=C1 002755 [1,0,0,0,0,0|2,0,1]=4 90 B8R1.2 NCC1=CC=CC=C1 098408 [1,0,0,0,0,0|2,0,0]=3 91 B8R1.2 NCC1=CC=CC=C1 241882 [1,0,0,0,0,0|2,0,0]=3 92 B8R1.2 NCC1=CC=CN=C1 078185 [1,0,0,0,0,0|3,0,0]=4 93 B8R1.2 NCC1=CC=NC=C1 065475 [1,0,0,0,0,0|3,0,0]=4 94 B8R1.2 NCC1=CN=CC=N1 043597 [1,0,0,0,0,0|2,0,0]=3 95 B8R1.2 NCC1=NC=CC=C1 009750 [1,0,0,0,0,0|1,0,0]=2 96 B8R1.2 NNC1=CC=CC=C1 079470 [1,0,0,0,0,0|3,0,0]=4 97 B8R1.2 NNC1=CC=CC=C1 098902 [1,0,0,0,0,0|3,0,0]=4 98 B8R1.2 NNC1=NC=CC=C1 093675 [1,0,0,0,0,0|2,0,0]=3 99 B8R1.2 NNC1=NC=CC=N1 044297 [1,0,0,0,0,0|3,0,0]=4 100 B8R1.2 O=CC1=NC=CC=C1 065201 [1,0,0,0,0,0|1,0,1]=3 101 B8R1.2 O=NC1=CC=CC=C1 106182 [1,0,0,0,0,0|3,0,0]=4 102 B8R1.2 OCC1=CC=CC=C1 094986 [1,0,0,0,0,0|2,0,0]=3 103 B8R1.2 OCC1=CC=CC=C1 105725 [1,0,0,0,0,0|2,0,0]=3 104 B8R1.2 OCC1=CC=CN=C1 208628 [1,0,0,0,0,0|3,0,0]=4 105 B8R1.2 OCC1=CC=CN=N1 045003 [1,0,0,0,0,0|2,0,0]=3 106 B8R1.2 OCC1=CC=NC=C1 078602 [1,0,0,0,0,0|3,0,0]=4 107 B8R1.2 OCC1=NC=CC=C1 043374 [1,0,0,0,0,0|1,0,0]=2 108 B8R1.2 OCC1=NC=CC=N1 067743 [1,0,0,0,0,0|2,0,0]=3 109 B8R1.2 SCC1=CC=CC=C1 098994 [1,0,0,0,0,0|2,0,0]=3 110 B8R1.2 [C-]#[N+]C1=CC=CC=C1 180012 [1,0,0,0,0,0|2,0,1]=4 111 B8R1.2 [O-]CC1=CC=CC=C1 105697 [1,0,0,0,0,0|2,0,0]=3 112 B10R1.1 CC1=CC=C(CC#N)C=C1 078705 [0,1,0,0,0,0|2,0,1]=4 113 B10R1.1 CC1=CC=C(CCN)C=C1 018851 [0,1,0,0,0,0|2,0,0]=3 114 B10R1.1 CC1=CC=C(CCO)C=C1 216320 [0,1,0,0,0,0|2,0,0]=3 115 B10R1.1 CCCC1=CC=C(Cl)C=C1 018453 [0,1,0,0,0,0|1,0,0]=2 116 B10R1.1 CCCC1=CC=C(O)C=C1 068339 [0,1,0,0,0,0|1,0,0]=2 117 B10R1.1 CCOC1=CC=C(Br)C=C1 024186 [0,1,0,0,0,0|2,0,0]=3 118 B10R1.1 CCOC1=CC=C(F)C=C1 006317 [0,1,0,0,0,0|2,0,0]=3 119 B10R1.1 CCOC1=CC=C(I)C=C1 038701 [0,1,0,0,0,0|2,0,0]=3 120 B10R1.1 CCOC1=CC=C(N)C=C1 230478 [0,1,0,0,0,0|2,0,0]=3 121 B10R1.1 CCOC1=CC=C(O)C=C1 049967 [0,1,0,0,0,0|2,0,0]=3 122 B10R1.1 CCOC1=NC=C(I)C=C1 363566 [0,1,0,0,0,0|1,0,0]=2 123 B10R1.1 CCSC1=CC=C(C)C=C1 094757 [0,1,0,0,0,0|2,0,0]=3 124 B10R1.1 CCSC1=CC=C(Cl)C=C1 094917 [0,1,0,0,0,0|2,0,0]=3 125 B10R1.1 CCSC1=CC=C(F)C=C1 094569 [0,1,0,0,0,0|2,0,0]=3 126 B10R1.1 CNCC1=CC=C(Br)C=C1 076658 [0,1,0,0,0,0|2,0,0]=3 127 B10R1.1 CNCC1=CC=C(C)C=C1 078911 [0,1,0,0,0,0|2,0,0]=3 128 B10R1.1 CNCC1=CC=C(F)C=C1 040105 [0,1,0,0,0,0|2,0,0]=3 129 B10R1.1 COCC1=CC=C(Br)C=C1 325028 [0,1,0,0,0,0|2,0,0]=3 130 B10R1.1 ClC1=CC=C(CCBr)C=C1 020895 [0,1,0,0,0,0|2,0,0]=3 131 B10R1.1 FC1=CC=C(CCBr)C=C1 020897 [0,1,0,0,0,0|2,0,0]=3 132 B10R1.1 FC1=CC=C(CCCl)C=C1 010403 [0,1,0,0,0,0|2,0,0]=3 133 B10R1.1 N#CCC1=CC=C(Br)C=C1 BR1112 [0,1,0,0,0,0|2,0,1]=4 134 B10R1.1 N#CCC1=CC=C(Cl)C=C1 079011 [0,1,0,0,0,0|2,0,1]=4 135 B10R1.1 N#CCC1=CC=C(F)C=C1 001189 [0,1,0,0,0,0|2,0,1]=4 136 B10R1.1 N#CCC1=CC=C(I)C=C1 149501 [0,1,0,0,0,0|2,0,1]=4 137 B10R1.1 N#CCC1=CC=C(O)C=C1 018726 [0,1,0,0,0,0|2,0,1]=4 138 B10R1.1 N#CCC1=NC=C(Br)C=C1 077874 [0,1,0,0,0,0|1,0,1]=3 139 B10R1.1 NC1=CC=C(CCO)C=C1 005442 [0,1,0,0,0,0|2,0,0]=3 140 B10R1.1 NCCC1=CC=C(Br)C=C1 013456 [0,1,0,0,0,0|2,0,0]=3 141 B10R1.1 NCCC1=CC=C(Br)C=C1 018305 [0,1,0,0,0,0|2,0,0]=3 142 B10R1.1 NCCC1=CC=C(Cl)C=C1 008894 [0,1,0,0,0,0|2,0,0]=3 143 B10R1.1 NCCC1=CC=C(F)C=C1 040108 [0,1,0,0,0,0|2,0,0]=3 144 B10R1.1 NCCC1=CC=C(F)C=C1 240692 [0,1,0,0,0,0|2,0,0]=3 145 B10R1.1 NCCC1=CC=C(N)C=C1 040089 [0,1,0,0,0,0|2,0,0]=3 146 B10R1.1 NCCC1=CC=C(O)C=C1 078887 [0,1,0,0,0,0|2,0,0]=3 147 B10R1.1 NCCC1=CC=C(O)C=C1 241212 [0,1,0,0,0,0|2,0,0]=3 148 B10R1.1 OCCC1=CC=C(Br)C=C1 040529 [0,1,0,0,0,0|2,0,0]=3 149 B10R1.1 OCCC1=CC=C(Cl)C=C1 209207 [0,1,0,0,0,0|2,0,0]=3 150 B10R1.1 OCCC1=CC=C(F)C=C1 006315 [0,1,0,0,0,0|2,0,0]=3 151 B10R1.1 OCCC1=CC=C(I)C=C1 078447 [0,1,0,0,0,0|2,0,0]=3 152 B10R1.1 OCCC1=CC=C(O)C=C1 077935 [0,1,0,0,0,0|2,0,0]=3 153 B10R1.1 [NH3+]OCC1=CC=C(F)C=C1 010009 [0,1,0,0,0,0|3,0,0]=4 154 B10R1.4 C=CCC1=C(O)C=CC=C1 520493 [0,1,0,0,0,0|1,0,2]=4 155 B10R1.4 CC1=C(CCN)C=CC=C1 018849 [0,1,0,0,0,0|2,0,0]=3 156 B10R1.4 CC1=C(CCN)C=CC=C1 094128 [0,1,0,0,0,0|2,0,0]=3 157 B10R1.4 CC1=CC=CC=C1CCO 243106 [0,1,0,0,0,0|2,0,0]=3 158 B10R1.4 CC1=CC=CN=C1CCO 032581 [0,1,0,0,0,0|1,0,0]=2 159 B10R1.4 CCCC1=CC=NC=C1C 032545 [0,1,0,0,0,0|2,0,0]=3 160 B10R1.4 CCNC1=C(F)C=CC=C1 017358 [0,1,0,0,0,0|2,0,0]=3 161 B10R1.4 CCNC1=CC=CC=C1C 243028 [0,1,0,0,0,0|2,0,0]=3 162 B10R1.4 CCOC1=C(Br)C=CC=C1 239298 [0,1,0,0,0,0|2,0,0]=3 163 B10R1.4 CCOC1=C(C)C=CC=C1 095339 [0,1,0,0,0,0|2,0,0]=3 164 B10R1.4 CCOC1=C(F)C=CC=C1 006316 [0,1,0,0,0,0|2,0,0]=3 165 B10R1.4 CCOC1=C(N)C=CC=C1 044850 [0,1,0,0,0,0|2,0,0]=3 166 B10R1.4 CCOC1=CC=CC=C1O 216685 [0,1,0,0,0,0|2,0,0]=3 167 B10R1.4 CCSC1=C(Cl)C=CC=C1 094570 [0,1,0,0,0,0|2,0,0]=3 168 B10R1.4 CNCC1=CC=CC=C1F 077128 [0,1,0,0,0,0|2,0,0]=3 169 B10R1.4 COCC1=CC=CC=C1Br 233857 [0,1,0,0,0,0|2,0,0]=3 170 B10R1.4 N#CCC1=C(Br)C=CC=C1 001135 [0,1,0,0,0,0|2,0,1]=4 171 B10R1.4 N#CCC1=C(F)C=CC=C1 001187 [0,1,0,0,0,0|2,0,1]=4 172 B10R1.4 N#CCC1=CC=CC=C1Cl 225964 [0,1,0,0,0,0|2,0,1]=4 173 B10R1.4 N#CCC1=CC=CC=C1N 208802 [0,1,0,0,0,0|2,0,1]=4 174 B10R1.4 NCCC1=C(Cl)C=CC=C1 008893 [0,1,0,0,0,0|2,0,0]=3 175 B10R1.4 NCCC1=C(F)C=CC=C1 044800 [0,1,0,0,0,0|2,0,0]=3 176 B10R1.4 NCCC1=CC=CC=C1Br 067221 [0,1,0,0,0,0|2,0,0]=3 177 B10R1.4 NNCC1=C(F)C=CC=C1 070628 [0,1,0,0,0,0|3,0,0]=4 178 B10R1.4 OCCC1=C(F)C=CC=C1 006314 [0,1,0,0,0,0|2,0,0]=3 179 B10R1.4 OCCC1=CC=CC=C1Br 210426 [0,1,0,0,0,0|2,0,0]=3 180 B10R1.4 OCCC1=CC=CC=C1Cl 329148 [0,1,0,0,0,0|2,0,0]=3 181 B10R1.4 OCCC1=CC=CC=C1O 215704 [0,1,0,0,0,0|2,0,0]=3 182 B10R1.10 C=CCC1=CC=CC(Cl)=C1 022313 [0,1,0,0,0,0|1,0,2]=4 183 B10R1.10 C=CCC1=CC=CC(F)=C1 022325 [0,1,0,0,0,0|1,0,2]=4 184 B10R1.10 CC1=CC(CC#N)=CC=C1 092558 [0,1,0,0,0,0|2,0,1]=4 185 B10R1.10 CC1=CC=CC(CCO)=C1 068240 [0,1,0,0,0,0|2,0,0]=3 186 B10R1.10 CCCC1=CC=CC(O)=C1 431370 [0,1,0,0,0,0|1,0,0]=2 187 B10R1.10 CCNC1=CC=CC(C)=C1 216666 [0,1,0,0,0,0|2,0,0]=3 188 B10R1.10 CCOC1=CC(C)=CC=C1 095135 [0,1,0,0,0,0|2,0,0]=3 189 B10R1.10 CCSC1=CC(Br)=CC=C1 094879 [0,1,0,0,0,0|2,0,0]=3 190 B10R1.10 CNCC1=CC=CC(C)=C1 224541 [0,1,0,0,0,0|2,0,0]=3 191 B10R1.10 CNCC1=CC=CC(F)=C1 077129 [0,1,0,0,0,0|2,0,0]=3 192 B10R1.10 COCC1=CC(Br)=CC=C1 235324 [0,1,0,0,0,0|2,0,0]=3 193 B10R1.10 ClC1=CC=CC(CCBr)=C1 020894 [0,1,0,0,0,0|2,0,0]=3 194 B10R1.10 N#CCC1=CC(Br)=CC=C1 001136 [0,1,0,0,0,0|2,0,1]=4 195 B10R1.10 N#CCC1=CC(F)=CC=C1 001188 [0,1,0,0,0,0|2,0,1]=4 196 B10R1.10 N#CCC1=CC=CC(Cl)=C1 078843 [0,1,0,0,0,0|2,0,1]=4 197 B10R1.10 NCCC1=CC=CC(Br)=C1 048827 [0,1,0,0,0,0|2,0,0]=3 198 B10R1.10 NCCC1=CC=CC(Cl)=C1 018421 [0,1,0,0,0,0|2,0,0]=3 199 B10R1.10 NCCC1=CC=CC(F)=C1 040107 [0,1,0,0,0,0|2,0,0]=3 200 B10R1.10 NCCC1=CC=CC(O)=C1 009950 [0,1,0,0,0,0|2,0,0]=3 201 B10R1.10 OCCC1=CC(O)=CC=C1 092020 [0,1,0,0,0,0|2,0,0]=3 202 B10R1.10 OCCC1=CC=CC(Br)=C1 092240 [0,1,0,0,0,0|2,0,0]=3 203 B10R1.10 OCCC1=CC=CC(Cl)=C1 078742 [0,1,0,0,0,0|2,0,0]=3 204 B10R1.10 OCCC1=CC=CC(F)=C1 010684 [0,1,0,0,0,0|2,0,0]=3 205 B10R1.10 [NH3+]OCC1=CC(F)=CC=C1 010010 [0,1,0,0,0,0|3,0,0]=4 206 B10R1.15 C(=O)C(C)C1=CC=CC=C1 003859 [0,1,0,0,0,0|2,0,1]=4 207 B10R1.15 CC(C#N)C1=CC=CC=C1 001059 [0,1,0,0,0,0|2,0,1]=4 208 B10R1.15 CC(CN)C1=CC=CC=C1 008888 [0,1,0,0,0,0|2,0,0]=3 209 B10R1.15 CCC(=O)C1=CC=CC=C1 094675 [0,1,0,0,0,0|1,0,1]=3 210 B10R1.15 CCC(=O)C1=CC=CN=C1 494152 [0,1,0,0,0,0|2,0,1]=4 211 B10R1.15 CCC(=O)C1=CC=NC=C1 218389 [0,1,0,0,0,0|2,0,1]=4 212 B10R1.15 CCC(C)C1=CC=CC=C1 094615 [0,1,0,0,0,0|1,0,0]=2 213 B10R1.15 CCC(O)C1=CC=CC=C1 242652 [0,1,0,0,0,0|1,0,0]=2 214 B10R1.15 CCN(C)C1=CC=CC=C1 092421 [0,1,0,0,0,0|2,0,0]=3 215 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 208825 [0,1,0,0,0,0|1,0,0]=2 216 B10R1.15 CC[C@@H](O)C1=CC=CC=C1 103637 [0,1,0,0,0,0|1,0,0]=2 217 B10R1.15 CC[C@H](N)C1=CC=CC=C1 227613 [0,1,0,0,0,0|1,0,0]=2 218 B10R1.15 CNC(=O)C1=CC=CC=C1 341719 [0,1,0,0,0,0|2,0,1]=4 219 B10R1.15 CNC(=S)C1=CC=CC=C1 180197 [0,1,0,0,0,0|2,0,1]=4 220 B10R1.15 CNC(C)C1=CC=CC=C1 371108 [0,1,0,0,0,0|2,0,0]=3 221 B10R1.15 CN[C@H](C)C1=CC=CC=C1 337064 [0,1,0,0,0,0|2,0,0]=3 222 B10R1.15 COC(=O)C1=CC=CC=C1 223218 [0,1,0,0,0,0|2,0,1]=4 223 B10R1.15 COC(=O)C1=NC=CC=C1 078704 [0,1,0,0,0,0|1,0,1]=3 224 B10R1.15 COC(=O)C1=NC=CN=C1 066991 [0,1,0,0,0,0|2,0,1]=4 225 B10R1.15 COS(=O)C1=CC=CC=C1 023251 [0,1,0,0,0,0|3,0,0]=4 226 B10R1.15 C\C(=N/O)C1=NC=CC=C1 075986 [0,1,0,0,0,0|2,0,1]=4 227 B10R1.15 N#CC(O)C1=CC=CC=C1 403371 [0,1,0,0,0,0|2,0,1]=4 228 B10R1.15 N#C[C@@H](N)C1=CC=CC=C1 324116 [0,1,0,0,0,0|2,0,1]=4 229 B10R1.15 NC(CO)C1=CC=CC=C1 364268 [0,1,0,0,0,0|2,0,0]=3 230 B10R1.15 NCC(=O)C1=CC=CC=C1 040292 [0,1,0,0,0,0|2,0,1]=4 231 B10R1.15 NCC(O)C1=CC=CC=C1 008897 [0,1,0,0,0,0|2,0,0]=3 232 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 318280 [0,1,0,0,0,0|2,0,0]=3 233 B10R1.15 NC[C@H](O)C1=CC=CC=C1 077860 [0,1,0,0,0,0|2,0,0]=3 234 B10R1.15 NNC(=O)C1=CC=CC=N1 060583 [0,1,0,0,0,0|2,0,1]=4 235 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 040100 [0,1,0,0,0,0|2,0,0]=3 236 B10R1.15 N[C@H](CO)C1=CC=CC=C1 034311 [0,1,0,0,0,0|2,0,0]=3 237 B10R1.15 N\C(=N/O)C1=CC=CC=N1 017302 [0,1,0,0,0,0|2,0,1]=4 238 B10R1.15 O=C(CBr)C1=CC=CC=C1 040508 [0,1,0,0,0,0|2,0,1]=4 239 B10R1.15 O=C(CBr)C1=NC=CC=C1 005884 [0,1,0,0,0,0|1,0,1]=3 240 B10R1.15 O=C(CCl)C1=CC=CC=C1 228091 [0,1,0,0,0,0|2,0,1]=4 241 B10R1.15 O=C(CO)C1=CC=CC=C1 219236 [0,1,0,0,0,0|2,0,1]=4 242 B10R1.15 O[C@H](CCl)C1=CC=CC=C1 103828 [0,1,0,0,0,0|2,0,0]=3 243 B10R1.17 BrCCCC1=CC=CC=C1 113800 [0,1,0,0,0,0|1,0,0]=2 244 B10R1.17 BrCCOC1=CC=CC=C1 210427 [0,1,0,0,0,0|2,0,0]=3 245 B10R1.17 BrCCSC1=CC=CC=C1 003535 [0,1,0,0,0,0|2,0,0]=3 246 B10R1.17 C#CCCC1=CC=CC=C1 062967 [0,1,0,0,0,0|1,0,1]=3 247 B10R1.17 C(=O)NCC1=CC=CC=C1 300142 [0,1,0,0,0,0|2,0,1]=4 248 B10R1.17 C=CCCC1=CC=CC=C1 342184 [0,1,0,0,0,0|1,0,1]=3 249 B10R1.17 C=CCOC1=CC=CC=C1 242682 [0,1,0,0,0,0|1,0,2]=4 250 B10R1.17 C=CCSC1=CC=CC=C1 003665 [0,1,0,0,0,0|1,0,2]=4 251 B10R1.17 CCC#CC1=CC=CC=C1 103664 [0,1,0,0,0,0|1,0,1]=3 252 B10R1.17 CCCCC1=CC=CC=C1 240933 [0,1,0,0,0,0|1,0,0]=2 253 B10R1.17 CCCC[N+]1=CC=CC=C1 237751 [0,1,0,0,0,0|2,0,0]=3 254 B10R1.17 CCCNC1=CC=CC=C1 324115 [0,1,0,0,0,0|1,0,0]=2 255 B10R1.17 CCCSC1=CC=CC=C1 094618 [0,1,0,0,0,0|1,0,0]=2 256 B10R1.17 CCCSC1=NC=CC=C1 097642 [0,1,0,0,0,0|0,0,0]=1 257 B10R1.17 CCNCC1=CC=CC=C1 239060 [0,1,0,0,0,0|1,0,0]=2 258 B10R1.17 CCNCC1=CC=CN=C1 046110 [0,1,0,0,0,0|2,0,0]=3 259 B10R1.17 CCOCC1=CC=CC=C1 240434 [0,1,0,0,0,0|1,0,0]=2 260 B10R1.17 CCSCC1=CC=CC=C1 094637 [0,1,0,0,0,0|1,0,0]=2 261 B10R1.17 CNCCC1=CC=CC=C1 046956 [0,1,0,0,0,0|1,0,0]=2 262 B10R1.17 CNCCC1=NC=CC=C1 065480 [0,1,0,0,0,0|0,0,0]=1 263 B10R1.17 ClCCCC1=CC=CC=C1 320132 [0,1,0,0,0,0|1,0,0]=2 264 B10R1.17 ClCCSC1=CC=CC=C1 003536 [0,1,0,0,0,0|2,0,0]=3 265 B10R1.17 ClCOCC1=CC=CC=C1 106900 [0,1,0,0,0,0|2,0,0]=3 266 B10R1.17 ICCOC1=CC=CC=C1 313818 [0,1,0,0,0,0|2,0,0]=3 267 B10R1.17 N#CCCC1=CC=CC=C1 337065 [0,1,0,0,0,0|1,0,1]=3 268 B10R1.17 N#CCOC1=CC=CC=C1 239898 [0,1,0,0,0,0|2,0,1]=4 269 B10R1.17 N#CCSC1=CC=CC=C1 003773 [0,1,0,0,0,0|2,0,1]=4 270 B10R1.17 N#CCSC1=NC=CC=C1 022082 [0,1,0,0,0,0|1,0,1]=3 271 B10R1.17 NCC#CC1=CC=CC=C1 050963 [0,1,0,0,0,0|1,0,2]=4 272 B10R1.17 NCCCC1=CC=CC=C1 008890 [0,1,0,0,0,0|1,0,0]=2 273 B10R1.17 NCCNC1=CC=CC=C1 320056 [0,1,0,0,0,0|2,0,0]=3 274 B10R1.17 NCCNC1=CC=NC=C1 033853 [0,1,0,0,0,0|3,0,0]=4 275 B10R1.17 NCCOC1=CC=CC=C1 078737 [0,1,0,0,0,0|2,0,0]=3 276 B10R1.17 O=CCCC1=CC=CC=C1 237467 [0,1,0,0,0,0|1,0,1]=3 277 B10R1.17 O=COCC1=CC=CC=C1 240742 [0,1,0,0,0,0|2,0,1]=4 278 B10R1.17 OCC#CC1=CC=CC=C1 166200 [0,1,0,0,0,0|1,0,2]=4 279 B10R1.17 OCCCC1=CC=CC=C1 241187 [0,1,0,0,0,0|1,0,0]=2 280 B10R1.17 OCCCC1=CC=CN=C1 032639 [0,1,0,0,0,0|2,0,0]=3 281 B10R1.17 OCCCC1=CC=NC=C1 093367 [0,1,0,0,0,0|2,0,0]=3 282 B10R1.17 OCCCC1=NC=CC=C1 234266 [0,1,0,0,0,0|0,0,0]=1 283 B10R1.17 OCCNC1=CC=CC=C1 240954 [0,1,0,0,0,0|2,0,0]=3 284 B10R1.17 OCCNC1=CC=NC=C1 034928 [0,1,0,0,0,0|3,0,0]=4 285 B10R1.17 OCCNC1=NC=CC=C1 034929 [0,1,0,0,0,0|1,0,0]=2 286 B10R1.17 OCCNC1=NC=CC=C1 061534 [0,1,0,0,0,0|1,0,0]=2 287 B10R1.17 OCCOC1=CC=CC=C1 005091 [0,1,0,0,0,0|2,0,0]=3 288 B10R1.17 OCCSC1=CC=CC=C1 003534 [0,1,0,0,0,0|2,0,0]=3 289 B10R1.17 OC\C=C\C1=CC=CC=C1 237687 [0,1,0,0,0,0|1,0,2]=4 290 B10R1.17 S=C=NCC1=CC=CC=C1 002504 [0,1,0,0,0,0|2,0,1]=4 291 B10R1.17 [N-]=[N+]=NCC1=CC=CC=C1 342017 [0,1,0,0,0,0|3,0,0]=4 292 B10R1.18 CC(=O)NC1=CC=CC=C1 098888 [0,1,0,0,0,0|2,0,1]=4 293 B10R1.18 CC(=O)NC1=CC=CC=C1 236729 [0,1,0,0,0,0|2,0,1]=4 294 B10R1.18 CC(=O)OC1=CC=CC=C1 106321 [0,1,0,0,0,0|2,0,1]=4 295 B10R1.18 CC(=O)SC1=CC=CC=C1 180205 [0,1,0,0,0,0|2,0,1]=4 296 B10R1.18 CC(Br)CC1=CC=CC=C1 243231 [0,1,0,0,0,0|1,0,0]=2 297 B10R1.18 CC(C)CC1=CC=NC=C1 032546 [0,1,0,0,0,0|2,0,0]=3 298 B10R1.18 CC(C)NC1=CC=CC=C1 079480 [0,1,0,0,0,0|2,0,0]=3 299 B10R1.18 CC(C)OC1=CC=CC=C1 038454 [0,1,0,0,0,0|2,0,0]=3 300 B10R1.18 CC(O)CC1=CC=CC=C1 339985 [0,1,0,0,0,0|1,0,0]=2 301 B10R1.18 CN(C)CC1=CC=CC=C1 102405 [0,1,0,0,0,0|2,0,0]=3 302 B10R1.18 C[C@@H](O)CC1=CC=CC=C1 036085 [0,1,0,0,0,0|1,0,0]=2 303 B10R1.18 C[C@H](O)CC1=CC=CC=C1 036086 [0,1,0,0,0,0|1,0,0]=2 304 B10R1.18 NC(=O)CC1=CC=CC=C1 018952 [0,1,0,0,0,0|2,0,1]=4 305 B10R1.18 NC(=O)NC1=NC=CC=C1 023876 [0,1,0,0,0,0|2,0,1]=4 306 B10R1.18 NC(=S)CC1=CC=CC=C1 047341 [0,1,0,0,0,0|2,0,1]=4 307 B10R1.18 NC(=S)NC1=CC=CC=N1 018986 [0,1,0,0,0,0|2,0,1]=4 308 B10R1.18 O=C(Cl)CC1=CC=CC=C1 099401 [0,1,0,0,0,0|2,0,1]=4 309 B10R1.18 O=C(O)CC1=NC=CC=C1 066003 [0,1,0,0,0,0|1,0,1]=3 310 B8R0.1 CCOC(=O)\C=C\C=O 235591 [0,0,1,0,0,0|3,0,0]=4 311 B8R0.4 CCCCC\C=C\C=O 103998 [0,0,1,0,0,0|1,0,2]=4 312 B10R2.6 C1=CC=C(C2CC2)C=C1 049412 [0,0,0,1,0,0|1,0,0]=2 313 B10R2.6 C1=CC=C(C2CO2)C=C1 227689 [0,0,0,1,0,0|2,0,0]=3 314 B10R2.6 C1=CC=C([C@@H]2CO2)C=C1 221507 [0,0,0,1,0,0|2,0,0]=3 315 B10R2.6 C1=CC=C([C@H]2CO2)C=C1 223292 [0,0,0,1,0,0|2,0,0]=3 316 B10R2.7 C1=CC2=C(C=C1)CC=C2 358247 [0,0,0,1,0,0|1,0,2]=4 317 B10R2.7 C1=CC2=C(C=C1)CCC2 046831 [0,0,0,1,0,0|1,0,0]=2 318 B10R2.7 C1=CC2=C(C=CN2)N=C1 036833 [0,0,0,1,0,0|1,0,2]=4 319 B10R2.7 C1=CC=C2CNCC2=C1 041927 [0,0,0,1,0,0|2,0,0]=3 320 B10R2.7 C1=CC=C2NCCC2=C1 068790 [0,0,0,1,0,0|2,0,0]=3 321 B10R2.7 C1=CC=C2OCCC2=C1 017117 [0,0,0,1,0,0|2,0,0]=3 322 B10R2.7 C1=CC=C2OCOC2=C1 022089 [0,0,0,1,0,0|3,0,0]=4 323 B10R2.7 C1=CN=C2C=NNC2=C1 093150 [0,0,0,1,0,0|2,0,1]=4 324 B10R2.7 C1=CN=C2CCCC2=C1 075302 [0,0,0,1,0,0|0,0,0]=1 325 B10R2.7 C1=CN=C2NC=CC2=C1 032720 [0,0,0,1,0,0|1,0,2]=4 326 B10R2.7 C1=CN=C2NC=NC2=C1 223376 [0,0,0,1,0,0|2,0,1]=4 327 B10R2.7 C1=CN=C2NN=NC2=C1 220515 [0,0,0,1,0,0|3,0,0]=4 328 B8R1.8 CCCC1=CC=CS1 003676 [0,0,0,0,1,0|1,0,0]=2 329 B8R1.8 CCOC1=NC=CS1 002763 [0,0,0,0,1,0|2,0,0]=3 330 B8R1.8 CNCC1=CC=CO1 226183 [0,0,0,0,1,0|2,0,0]=3 331 B8R1.8 CNCC1=CC=CS1 065484 [0,0,0,0,1,0|2,0,0]=3 332 B8R1.8 COCN1C=CN=C1 242375 [0,0,0,0,1,0|3,0,0]=4 333 B8R1.8 ClCCN1C=CC=C1 046765 [0,0,0,0,1,0|2,0,0]=3 334 B8R1.8 ClCCN1C=CN=C1 005946 [0,0,0,0,1,0|3,0,0]=4 335 B8R1.8 N#CCC1=CC=CS1 003048 [0,0,0,0,1,0|2,0,1]=4 336 B8R1.8 N#CCC1=CSC=C1 046894 [0,0,0,0,1,0|2,0,1]=4 337 B8R1.8 NCCC1=CC=CS1 021380 [0,0,0,0,1,0|2,0,0]=3 338 B8R1.8 NCCC1=CNC=N1 068673 [0,0,0,0,1,0|2,0,0]=3 339 B8R1.8 NCCC1=CNC=N1 078943 [0,0,0,0,1,0|2,0,0]=3 340 B8R1.8 OCCC1=CC=CS1 208753 [0,0,0,0,1,0|2,0,0]=3 341 B8R1.8 OCCC1=CSC=C1 076012 [0,0,0,0,1,0|2,0,0]=3 342 B8R1.8 OCCN1C=CC=N1 036257 [0,0,0,0,1,0|2,0,0]=3 343 B8R1.8 OCCN1C=CN=C1 005948 [0,0,0,0,1,0|3,0,0]=4 344 B7R0.1 CCCC\C=C\C=O 240980 [1,0,1,0,0,0|1,0,1]=4 345 B7R0.1 CC\C=C\C=C\C=O 242611 [1,0,1,0,0,0|1,0,0]=3 346 B7R0.7 C=COC(=O)CCC 005032 [1,0,1,0,0,0|2,0,0]=4 347 B7R1.3 BrC1=CC=CC=C1 BR1026 [2,0,0,0,0,0|2,0,0]=4 348 B7R1.3 BrC1=CN=CC=N1 049757 [2,0,0,0,0,0|2,0,0]=4 349 B7R1.3 BrC1=NC=CC=C1 036222 [2,0,0,0,0,0|1,0,0]=3 350 B7R1.3 BrC1=NC=CC=N1 036373 [2,0,0,0,0,0|2,0,0]=4 351 B7R1.3 BrC1=NN=CC=C1 078228 [2,0,0,0,0,0|2,0,0]=4 352 B7R1.3 CC1=CC=CC=C1 035922 [2,0,0,0,0,0|1,0,0]=3 353 B7R1.3 CC1=CC=CC=C1 046885 [2,0,0,0,0,0|1,0,0]=3 354 B7R1.3 CC1=CC=CC=C1 099899 [2,0,0,0,0,0|1,0,0]=3 355 B7R1.3 CC1=CC=CC=C1 102149 [2,0,0,0,0,0|1,0,0]=3 356 B7R1.3 CC1=CC=CN=C1 235657 [2,0,0,0,0,0|2,0,0]=4 357 B7R1.3 CC1=CC=CN=N1 236526 [2,0,0,0,0,0|1,0,0]=3 358 B7R1.3 CC1=CC=NC=C1 094587 [2,0,0,0,0,0|2,0,0]=4 359 B7R1.3 CC1=NC=CC=C1 235658 [2,0,0,0,0,0|0,0,0]=2 360 B7R1.3 CC1=NC=CN=C1 002726 [2,0,0,0,0,0|1,0,0]=3 361 B7R1.3 CC1=NC=NC=C1 045243 [2,0,0,0,0,0|1,0,0]=3 362 B7R1.3 ClC1=CC=CC=C1 044613 [2,0,0,0,0,0|2,0,0]=4 363 B7R1.3 ClC1=CC=CC=C1 101617 [2,0,0,0,0,0|2,0,0]=4 364 B7R1.3 ClC1=NC=CC=C1 044502 [2,0,0,0,0,0|1,0,0]=3 365 B7R1.3 ClC1=NC=CC=N1 036368 [2,0,0,0,0,0|2,0,0]=4 366 B7R1.3 ClC1=NC=CN=C1 002754 [2,0,0,0,0,0|2,0,0]=4 367 B7R1.3 FC1=CC=CC=C1 001699 [2,0,0,0,0,0|2,0,0]=4 368 B7R1.3 FC1=CN=CC=N1 050271 [2,0,0,0,0,0|2,0,0]=4 369 B7R1.3 FC1=NC=CC=C1 001297 [2,0,0,0,0,0|1,0,0]=3 370 B7R1.3 IC1=CC=CC=C1 003461 [2,0,0,0,0,0|2,0,0]=4 371 B7R1.3 IC1=CN=CC=N1 236553 [2,0,0,0,0,0|2,0,0]=4 372 B7R1.3 IC1=NC=CC=C1 067334 [2,0,0,0,0,0|1,0,0]=3 373 B7R1.3 NC1=CC=CC=C1 044723 [2,0,0,0,0,0|2,0,0]=4 374 B7R1.3 NC1=CC=CC=C1 098809 [2,0,0,0,0,0|2,0,0]=4 375 B7R1.3 NC1=CC=CC=C1 228177 [2,0,0,0,0,0|2,0,0]=4 376 B7R1.3 NC1=CC=CN=N1 064947 [2,0,0,0,0,0|2,0,0]=4 377 B7R1.3 NC1=CC=NC=N1 013417 [2,0,0,0,0,0|2,0,0]=4 378 B7R1.3 NC1=NC=CC=C1 050259 [2,0,0,0,0,0|1,0,0]=3 379 B7R1.3 NC1=NC=CC=N1 036344 [2,0,0,0,0,0|2,0,0]=4 380 B7R1.3 NC1=NC=CN=C1 043480 [2,0,0,0,0,0|2,0,0]=4 381 B7R1.3 NC1=NN=CC=C1 078256 [2,0,0,0,0,0|2,0,0]=4 382 B7R1.3 O=C1C=CC=CN1 338426 [2,0,0,0,0,0|1,0,1]=4 383 B7R1.3 OC1=CC=CC=C1 098645 [2,0,0,0,0,0|2,0,0]=4 384 B7R1.3 OC1=CC=CC=C1 101882 [2,0,0,0,0,0|2,0,0]=4 385 B7R1.3 OC1=CC=CC=C1 102467 [2,0,0,0,0,0|2,0,0]=4 386 B7R1.3 OC1=NC=CC=C1 003423 [2,0,0,0,0,0|1,0,0]=3 387 B7R1.3 OC1=NC=CC=N1 147200 [2,0,0,0,0,0|2,0,0]=4 388 B7R1.3 OC1=NC=CN=C1 076215 [2,0,0,0,0,0|2,0,0]=4 389 B7R1.3 OC1=NC=NC=C1 068731 [2,0,0,0,0,0|2,0,0]=4 390 B7R1.3 PC1=CC=CC=C1 106038 [2,0,0,0,0,0|2,0,0]=4 391 B7R1.3 SC1=CC=CC=C1 094667 [2,0,0,0,0,0|2,0,0]=4 392 B7R1.3 SC1=NC=CC=C1 023265 [2,0,0,0,0,0|1,0,0]=3 393 B7R1.3 SC1=NC=CC=N1 036415 [2,0,0,0,0,0|2,0,0]=4 394 B7R1.3 [O-]C1=CC=CC=C1 180036 [2,0,0,0,0,0|2,0,0]=4 395 B7R1.3 [S-]C1=CC=CC=C1 303893 [2,0,0,0,0,0|2,0,0]=4 396 B7R1.3 [SiH3]C1=CC=CC=C1 S13600 [2,0,0,0,0,0|1,1,0]=4 397 B9R0.45 CCCC\C=C\C=C\C=O 106729 [0,1,1,0,0,0|1,0,0]=3 398 B9R1.1 BrCC1=CC=C(Br)C=C1 001368 [1,1,0,0,0,0|2,0,0]=4 399 B9R1.1 BrCC1=CC=C(I)C=C1 018740 [1,1,0,0,0,0|2,0,0]=4 400 B9R1.1 CC1=CC=C(CBr)C=C1 227793 [1,1,0,0,0,0|2,0,0]=4 401 B9R1.1 CC1=CC=C(CCl)C=C1 088360 [1,1,0,0,0,0|2,0,0]=4 402 B9R1.1 CC1=CC=C(CN)C=C1 078842 [1,1,0,0,0,0|2,0,0]=4 403 B9R1.1 CC1=CC=C(CO)C=C1 216000 [1,1,0,0,0,0|2,0,0]=4 404 B9R1.1 CC1=CN=C(C#N)C=C1 024687 [1,1,0,0,0,0|1,0,1]=4 405 B9R1.1 CC1=CN=C(CN)C=N1 009009 [1,1,0,0,0,0|2,0,0]=4 406 B9R1.1 CCC1=CC=C(Br)C=C1 001119 [1,1,0,0,0,0|1,0,0]=3 407 B9R1.1 CCC1=CC=C(C)C=C1 235264 [1,1,0,0,0,0|1,0,0]=3 408 B9R1.1 CCC1=CC=C(Cl)C=C1 001266 [1,1,0,0,0,0|1,0,0]=3 409 B9R1.1 CCC1=CC=C(F)C=C1 018681 [1,1,0,0,0,0|1,0,0]=3 410 B9R1.1 CCC1=CC=C(I)C=C1 006113 [1,1,0,0,0,0|1,0,0]=3 411 B9R1.1 CCC1=CC=C(N)C=C1 099641 [1,1,0,0,0,0|1,0,0]=3 412 B9R1.1 CCC1=CC=C(O)C=C1 241020 [1,1,0,0,0,0|1,0,0]=3 413 B9R1.1 CCC1=CC=[N+]([O-])C=C1 180055 [1,1,0,0,0,0|2,0,0]=4 414 B9R1.1 CCC1=CN=C(C)C=C1 222089 [1,1,0,0,0,0|2,0,0]=4 415 B9R1.1 CCC1=NC=C(Br)C=C1 077907 [1,1,0,0,0,0|0,0,0]=2 416 B9R1.1 CCC1=NC=C(C)N=C1 225679 [1,1,0,0,0,0|1,0,0]=3 417 B9R1.1 CNC1=CC=C(Br)C=C1 009647 [1,1,0,0,0,0|2,0,0]=4 418 B9R1.1 CNC1=CC=C(C)C=C1 009655 [1,1,0,0,0,0|2,0,0]=4 419 B9R1.1 CNC1=CC=C(Cl)C=C1 009650 [1,1,0,0,0,0|2,0,0]=4 420 B9R1.1 CNC1=CC=C(Cl)N=N1 038616 [1,1,0,0,0,0|2,0,0]=4 421 B9R1.1 CNC1=CC=C(F)C=C1 009651 [1,1,0,0,0,0|2,0,0]=4 422 B9R1.1 CNC1=CC=C(O)C=C1 102940 [1,1,0,0,0,0|2,0,0]=4 423 B9R1.1 CNC1=NC=C(Br)C=C1 078710 [1,1,0,0,0,0|1,0,0]=3 424 B9R1.1 CNC1=NC=C(Br)C=N1 210036 [1,1,0,0,0,0|2,0,0]=4 425 B9R1.1 CNC1=NC=C(Cl)C=C1 075169 [1,1,0,0,0,0|1,0,0]=3 426 B9R1.1 COC1=CC=C(Br)C=C1 BR1023 [1,1,0,0,0,0|2,0,0]=4 427 B9R1.1 COC1=CC=C(C)C=C1 239388 [1,1,0,0,0,0|2,0,0]=4 428 B9R1.1 COC1=CC=C(Cl)C=C1 080276 [1,1,0,0,0,0|2,0,0]=4 429 B9R1.1 COC1=CC=C(Cl)N=N1 038611 [1,1,0,0,0,0|2,0,0]=4 430 B9R1.1 COC1=CC=C(F)C=C1 001698 [1,1,0,0,0,0|2,0,0]=4 431 B9R1.1 COC1=CC=C(I)C=C1 001304 [1,1,0,0,0,0|2,0,0]=4 432 B9R1.1 COC1=CC=C(N)C=C1 043321 [1,1,0,0,0,0|2,0,0]=4 433 B9R1.1 COC1=CC=C(O)C=C1 078679 [1,1,0,0,0,0|2,0,0]=4 434 B9R1.1 COC1=CC=C(S)C=C1 001774 [1,1,0,0,0,0|2,0,0]=4 435 B9R1.1 COC1=NC=C(Br)C=C1 023910 [1,1,0,0,0,0|1,0,0]=3 436 B9R1.1 COC1=NC=C(Br)C=N1 016200 [1,1,0,0,0,0|2,0,0]=4 437 B9R1.1 COC1=NC=C(Cl)C=C1 035854 [1,1,0,0,0,0|1,0,0]=3 438 B9R1.1 COC1=NC=C(F)C=C1 033260 [1,1,0,0,0,0|1,0,0]=3 439 B9R1.1 COC1=NC=C(N)C=C1 024176 [1,1,0,0,0,0|1,0,0]=3 440 B9R1.1 COC1=NC=C(O)C=C1 076684 [1,1,0,0,0,0|1,0,0]=3 441 B9R1.1 COC1=NN=C(N)C=C1 036793 [1,1,0,0,0,0|2,0,0]=4 442 B9R1.1 CSC1=CC=C(Br)C=C1 003696 [1,1,0,0,0,0|2,0,0]=4 443 B9R1.1 CSC1=CC=C(C)C=C1 001781 [1,1,0,0,0,0|2,0,0]=4 444 B9R1.1 CSC1=CC=C(Cl)C=C1 002972 [1,1,0,0,0,0|2,0,0]=4 445 B9R1.1 CSC1=CC=C(F)C=C1 003730 [1,1,0,0,0,0|2,0,0]=4 446 B9R1.1 CSC1=CC=C(I)C=C1 008044 [1,1,0,0,0,0|2,0,0]=4 447 B9R1.1 CSC1=CC=C(N)C=C1 003091 [1,1,0,0,0,0|2,0,0]=4 448 B9R1.1 CSC1=CC=C(N)C=C1 104919 [1,1,0,0,0,0|2,0,0]=4 449 B9R1.1 CSC1=CC=C(O)C=C1 003883 [1,1,0,0,0,0|2,0,0]=4 450 B9R1.1 CSC1=NC=C(Br)C=N1 076456 [1,1,0,0,0,0|2,0,0]=4 451 B9R1.1 ClC1=CC=C(CBr)C=C1 118700 [1,1,0,0,0,0|2,0,0]=4 452 B9R1.1 ClCC1=CC=C(Br)C=C1 002483 [1,1,0,0,0,0|2,0,0]=4 453 B9R1.1 ClCC1=CC=C(Cl)C=C1 079221 [1,1,0,0,0,0|2,0,0]=4 454 B9R1.1 FC1=CC=C(CBr)C=C1 002963 [1,1,0,0,0,0|2,0,0]=4 455 B9R1.1 FC1=CC=C(CCl)C=C1 006201 [1,1,0,0,0,0|2,0,0]=4 456 B9R1.1 FC1=CC=C(CS)C=C1 006206 [1,1,0,0,0,0|2,0,0]=4 457 B9R1.1 N#CC1=CC=C(Br)C=N1 045207 [1,1,0,0,0,0|1,0,1]=4 458 B9R1.1 N#CC1=NC=C(F)C=C1 049469 [1,1,0,0,0,0|1,0,1]=4 459 B9R1.1 N#CC1=NC=C(N)C=C1 040038 [1,1,0,0,0,0|1,0,1]=4 460 B9R1.1 NC1=CC=C(CO)C=C1 092096 [1,1,0,0,0,0|2,0,0]=4 461 B9R1.1 NCC1=CC=C(Br)C=C1 042893 [1,1,0,0,0,0|2,0,0]=4 462 B9R1.1 NCC1=CC=C(Cl)C=C1 092218 [1,1,0,0,0,0|2,0,0]=4 463 B9R1.1 NCC1=CC=C(F)C=C1 006199 [1,1,0,0,0,0|2,0,0]=4 464 B9R1.1 NCC1=CC=C(O)C=C1 023452 [1,1,0,0,0,0|2,0,0]=4 465 B9R1.1 NCC1=CC=C(O)C=C1 047973 [1,1,0,0,0,0|2,0,0]=4 466 B9R1.1 O=CC1=NC=C(Br)C=C1 040402 [1,1,0,0,0,0|1,0,1]=4 467 B9R1.1 OCC1=CC=C(Br)C=C1 008822 [1,1,0,0,0,0|2,0,0]=4 468 B9R1.1 OCC1=CC=C(Cl)C=C1 008823 [1,1,0,0,0,0|2,0,0]=4 469 B9R1.1 OCC1=CC=C(F)C=C1 001624 [1,1,0,0,0,0|2,0,0]=4 470 B9R1.1 OCC1=CC=C(I)C=C1 093387 [1,1,0,0,0,0|2,0,0]=4 471 B9R1.1 OCC1=CC=C(O)C=C1 078884 [1,1,0,0,0,0|2,0,0]=4 472 B9R1.1 OCC1=NC=C(Br)C=C1 036351 [1,1,0,0,0,0|1,0,0]=3 473 B9R1.1 SCC1=CC=C(Br)C=C1 024343 [1,1,0,0,0,0|2,0,0]=4 474 B9R1.1 SCC1=CC=C(Cl)C=C1 545320 [1,1,0,0,0,0|2,0,0]=4 475 B9R1.2 BrCC1=CC(Br)=CC=C1 001367 [1,1,0,0,0,0|2,0,0]=4 476 B9R1.2 BrCC1=CC(I)=CC=C1 018739 [1,1,0,0,0,0|2,0,0]=4 477 B9R1.2 CC1=CC(C#N)=NC=C1 068419 [1,1,0,0,0,0|1,0,1]=4 478 B9R1.2 CC1=CC(C=O)=NC=C1 033041 [1,1,0,0,0,0|1,0,1]=4 479 B9R1.2 CC1=CC=CC(C#N)=N1 077340 [1,1,0,0,0,0|1,0,1]=4 480 B9R1.2 CC1=CC=CC(C=O)=N1 021900 [1,1,0,0,0,0|1,0,1]=4 481 B9R1.2 CC1=CC=CC(CBr)=C1 067812 [1,1,0,0,0,0|2,0,0]=4 482 B9R1.2 CC1=CC=CC(CN)=C1 008878 [1,1,0,0,0,0|2,0,0]=4 483 B9R1.2 CC1=CC=CC(CO)=C1 102453 [1,1,0,0,0,0|2,0,0]=4 484 B9R1.2 CC1=CC=CC(CO)=N1 092614 [1,1,0,0,0,0|1,0,0]=3 485 B9R1.2 CC1=NC(NN)=CC=C1 038575 [1,1,0,0,0,0|2,0,0]=4 486 B9R1.2 CCC1=CC(I)=CC=C1 037712 [1,1,0,0,0,0|1,0,0]=3 487 B9R1.2 CCC1=CC=CC(Br)=C1 024168 [1,1,0,0,0,0|1,0,0]=3 488 B9R1.2 CCC1=CC=CC(N)=C1 043276 [1,1,0,0,0,0|1,0,0]=3 489 B9R1.2 CCC1=CC=CC(N)=N1 095025 [1,1,0,0,0,0|0,0,0]=2 490 B9R1.2 CNC1=CC(Cl)=CC=C1 009649 [1,1,0,0,0,0|2,0,0]=4 491 B9R1.2 CNC1=CC(F)=CC=C1 019287 [1,1,0,0,0,0|2,0,0]=4 492 B9R1.2 CNC1=CC=CC(Br)=C1 045857 [1,1,0,0,0,0|2,0,0]=4 493 B9R1.2 CNC1=CN=CC(Cl)=N1 043527 [1,1,0,0,0,0|2,0,0]=4 494 B9R1.2 CNC1=NC=CC(Br)=C1 339611 [1,1,0,0,0,0|1,0,0]=3 495 B9R1.2 COC1=CC(Br)=CC=C1 003058 [1,1,0,0,0,0|2,0,0]=4 496 B9R1.2 COC1=CC(Cl)=NC=N1 079953 [1,1,0,0,0,0|2,0,0]=4 497 B9R1.2 COC1=CC(F)=CC=C1 002695 [1,1,0,0,0,0|2,0,0]=4 498 B9R1.2 COC1=CC(I)=CC=C1 001303 [1,1,0,0,0,0|2,0,0]=4 499 B9R1.2 COC1=CC(O)=CC=C1 235567 [1,1,0,0,0,0|2,0,0]=4 500 B9R1.2 COC1=CC=CC(C)=C1 342147 [1,1,0,0,0,0|2,0,0]=4 501 B9R1.2 COC1=CC=CC(Cl)=C1 118300 [1,1,0,0,0,0|2,0,0]=4 502 B9R1.2 COC1=CC=CC(N)=C1 043402 [1,1,0,0,0,0|2,0,0]=4 503 B9R1.2 COC1=CC=CC(N)=N1 043829 [1,1,0,0,0,0|1,0,0]=3 504 B9R1.2 COC1=CC=CC(S)=C1 001309 [1,1,0,0,0,0|2,0,0]=4 505 B9R1.2 COC1=CC=NC(Cl)=N1 067422 [1,1,0,0,0,0|2,0,0]=4 506 B9R1.2 COC1=NC(Br)=CC=C1 045063 [1,1,0,0,0,0|1,0,0]=3 507 B9R1.2 COC1=NC(C)=CC=C1 040046 [1,1,0,0,0,0|1,0,0]=3 508 B9R1.2 COC1=NC(Cl)=CC=C1 045005 [1,1,0,0,0,0|1,0,0]=3 509 B9R1.2 COC1=NC=CC(Br)=C1 036245 [1,1,0,0,0,0|1,0,0]=3 510 B9R1.2 COC1=NC=CC(Br)=N1 078127 [1,1,0,0,0,0|2,0,0]=4 511 B9R1.2 COC1=NC=CC(Cl)=N1 078129 [1,1,0,0,0,0|2,0,0]=4 512 B9R1.2 COC1=NC=CC(F)=C1 208735 [1,1,0,0,0,0|1,0,0]=3 513 B9R1.2 COC1=NC=CC(N)=C1 036821 [1,1,0,0,0,0|1,0,0]=3 514 B9R1.2 COC1=NC=NC(N)=C1 064930 [1,1,0,0,0,0|2,0,0]=4 515 B9R1.2 CSC1=CC(Br)=CC=C1 003661 [1,1,0,0,0,0|2,0,0]=4 516 B9R1.2 CSC1=CC(C)=CC=C1 019356 [1,1,0,0,0,0|2,0,0]=4 517 B9R1.2 CSC1=CC(Cl)=CC=C1 003553 [1,1,0,0,0,0|2,0,0]=4 518 B9R1.2 CSC1=CC(F)=CC=C1 019273 [1,1,0,0,0,0|2,0,0]=4 519 B9R1.2 CSC1=CC(I)=CC=C1 094459 [1,1,0,0,0,0|2,0,0]=4 520 B9R1.2 CSC1=CC([Mg+])=CC=C1 397737 [1,1,0,0,0,0|2,0,0]=4 521 B9R1.2 CSC1=CC=CC(N)=C1 018141 [1,1,0,0,0,0|2,0,0]=4 522 B9R1.2 CSC1=NC=CC(Cl)=N1 049172 [1,1,0,0,0,0|2,0,0]=4 523 B9R1.2 CSC1=NC=CC(O)=N1 076764 [1,1,0,0,0,0|2,0,0]=4 524 B9R1.2 ClC1=CC=CC(CBr)=C1 024563 [1,1,0,0,0,0|2,0,0]=4 525 B9R1.2 FC1=CC=CC(CBr)=C1 002171 [1,1,0,0,0,0|2,0,0]=4 526 B9R1.2 FC1=CC=CC(CCl)=C1 001632 [1,1,0,0,0,0|2,0,0]=4 527 B9R1.2 FC1=CC=CC(CS)=C1 024342 [1,1,0,0,0,0|2,0,0]=4 528 B9R1.2 N#CC1=CC(Cl)=CC=N1 038180 [1,1,0,0,0,0|1,0,1]=4 529 B9R1.2 N#CC1=NC(Br)=CC=C1 045311 [1,1,0,0,0,0|1,0,1]=4 530 B9R1.2 N#CC1=NC(F)=CC=C1 045312 [1,1,0,0,0,0|1,0,1]=4 531 B9R1.2 N#CC1=NC=CC(Br)=C1 049881 [1,1,0,0,0,0|1,0,1]=4 532 B9R1.2 NC1=CC=CC(CO)=C1 008828 [1,1,0,0,0,0|2,0,0]=4 533 B9R1.2 NCC1=CC(Br)=CC=C1 075951 [1,1,0,0,0,0|2,0,0]=4 534 B9R1.2 NCC1=CC(Cl)=CC=C1 008869 [1,1,0,0,0,0|2,0,0]=4 535 B9R1.2 NCC1=CC(F)=CC=C1 006198 [1,1,0,0,0,0|2,0,0]=4 536 B9R1.2 NCC1=CC=CC(Br)=C1 242605 [1,1,0,0,0,0|2,0,0]=4 537 B9R1.2 NCC1=CC=CC(I)=C1 079620 [1,1,0,0,0,0|2,0,0]=4 538 B9R1.2 NCC1=CC=CC(O)=C1 023455 [1,1,0,0,0,0|2,0,0]=4 539 B9R1.2 NCC1=NC(Br)=CC=C1 215138 [1,1,0,0,0,0|1,0,0]=3 540 B9R1.2 NNC1=CC=CC(Br)=N1 091912 [1,1,0,0,0,0|2,0,0]=4 541 B9R1.2 O=CC1=NC(Br)=CC=C1 011583 [1,1,0,0,0,0|1,0,1]=4 542 B9R1.2 O=CC1=NC=CC(Br)=C1 077333 [1,1,0,0,0,0|1,0,1]=4 543 B9R1.2 OCC1=CC(Br)=CC=C1 001365 [1,1,0,0,0,0|2,0,0]=4 544 B9R1.2 OCC1=CC(Cl)=CC=C1 001376 [1,1,0,0,0,0|2,0,0]=4 545 B9R1.2 OCC1=CC(F)=CC=C1 002170 [1,1,0,0,0,0|2,0,0]=4 546 B9R1.2 OCC1=NC(Cl)=CC=C1 067703 [1,1,0,0,0,0|1,0,0]=3 547 B9R1.2 OCC1=NC=CC(Br)=C1 075766 [1,1,0,0,0,0|1,0,0]=3 548 B9R1.2 SCC1=CC(Br)=CC=C1 024349 [1,1,0,0,0,0|2,0,0]=4 549 B9R1.6 BrC(Br)C1=CC=CC=C1 243023 [1,1,0,0,0,0|2,0,0]=4 550 B9R1.6 C=C(C)C1=CC=CC=C1 245708 [1,1,0,0,0,0|1,0,1]=4 551 B9R1.6 CC(=O)C1=CC=CC=C1 043319 [1,1,0,0,0,0|1,0,1]=4 552 B9R1.6 CC(=O)C1=NC=CC=C1 044389 [1,1,0,0,0,0|0,0,1]=3 553 B9R1.6 CC(=O)C1=NC=CN=C1 002741 [1,1,0,0,0,0|1,0,1]=4 554 B9R1.6 CC(Br)C1=CC=CC=C1 001003 [1,1,0,0,0,0|1,0,0]=3 555 B9R1.6 CC(C)C1=CC=CC=C1 094649 [1,1,0,0,0,0|1,0,0]=3 556 B9R1.6 CC(C)C1=CC=NC=C1 024693 [1,1,0,0,0,0|2,0,0]=4 557 B9R1.6 CC(C)C1=NC=CC=C1 078691 [1,1,0,0,0,0|0,0,0]=2 558 B9R1.6 CC(N)C1=CC=CC=C1 208695 [1,1,0,0,0,0|1,0,0]=3 559 B9R1.6 CC(N)C1=CC=NC=C1 030534 [1,1,0,0,0,0|2,0,0]=4 560 B9R1.6 CC(N)C1=CC=NC=C1 097930 [1,1,0,0,0,0|2,0,0]=4 561 B9R1.6 CC(N)C1=CN=CC=C1 030750 [1,1,0,0,0,0|2,0,0]=4 562 B9R1.6 CC(N)C1=NC=CC=C1 060819 [1,1,0,0,0,0|0,0,0]=2 563 B9R1.6 CC(O)C1=CC=CC=C1 098924 [1,1,0,0,0,0|1,0,0]=3 564 B9R1.6 CC(O)C1=CC=CN=C1 094012 [1,1,0,0,0,0|2,0,0]=4 565 B9R1.6 CC(O)C1=NC=CC=C1 088389 [1,1,0,0,0,0|0,0,0]=2 566 B9R1.6 CN(C)C1=CC=CC=C1 098810 [1,1,0,0,0,0|2,0,0]=4 567 B9R1.6 CN(C)C1=NC=CC=C1 219108 [1,1,0,0,0,0|1,0,0]=3 568 B9R1.6 CS(=O)C1=CC=CC=C1 180124 [1,1,0,0,0,0|2,0,0]=4 569 B9R1.6 C[C@@H](N)C1=CC=CC=C1 037431 [1,1,0,0,0,0|1,0,0]=3 570 B9R1.6 C[C@@H](N)C1=NC=CC=C1 078110 [1,1,0,0,0,0|0,0,0]=2 571 B9R1.6 C[C@@H](O)C1=CC=CC=C1 222634 [1,1,0,0,0,0|1,0,0]=3 572 B9R1.6 C[C@H](N)C1=CC=CC=C1 037432 [1,1,0,0,0,0|1,0,0]=3 573 B9R1.6 C[SiH](C)C1=CC=CC=C1 S13425 [1,1,0,0,0,0|1,1,0]=4 574 B9R1.6 C[SiH](Cl)C1=CC=CC=C1 S13525 [1,1,0,0,0,0|1,1,0]=4 575 B9R1.6 FC(F)C1=CC=CC=C1 035819 [1,1,0,0,0,0|2,0,0]=4 576 B9R1.6 FC(F)C1=CC=CC=N1 050442 [1,1,0,0,0,0|1,0,0]=3 577 B9R1.6 N=C(N)C1=CC=CC=N1 044914 [1,1,0,0,0,0|1,0,1]=4 578 B9R1.6 NC(=O)C1=NC=CC=C1 235663 [1,1,0,0,0,0|1,0,1]=4 579 B9R1.6 NC(=S)C1=NC=CC=C1 021344 [1,1,0,0,0,0|1,0,1]=4 580 B9R1.6 O=C(Cl)C1=NC=CC=C1 166500 [1,1,0,0,0,0|1,0,1]=4 581 B9R1.6 O=C(O)C1=NC=CC=C1 043385 [1,1,0,0,0,0|1,0,1]=4 582 B9R1.15 BrCC1=C(Br)C=CC=C1 001366 [1,1,0,0,0,0|2,0,0]=4 583 B9R1.15 BrCC1=C(I)C=CC=C1 044924 [1,1,0,0,0,0|2,0,0]=4 584 B9R1.15 CC1=CC=CC=C1CBr 227715 [1,1,0,0,0,0|2,0,0]=4 585 B9R1.15 CC1=CC=CC=C1CN 227781 [1,1,0,0,0,0|2,0,0]=4 586 B9R1.15 CC1=CC=CN=C1C#N 019458 [1,1,0,0,0,0|1,0,1]=4 587 B9R1.15 CC1=CC=CN=C1CCl 234089 [1,1,0,0,0,0|1,0,0]=3 588 B9R1.15 CC1=CC=CN=C1CN 020197 [1,1,0,0,0,0|1,0,0]=3 589 B9R1.15 CC1=CC=CN=C1NN 061270 [1,1,0,0,0,0|2,0,0]=4 590 B9R1.15 CCC1=C(Br)C=CC=C1 018276 [1,1,0,0,0,0|1,0,0]=3 591 B9R1.15 CCC1=C(Cl)C=CC=C1 018372 [1,1,0,0,0,0|1,0,0]=3 592 B9R1.15 CCC1=C(I)C=CC=C1 001197 [1,1,0,0,0,0|1,0,0]=3 593 B9R1.15 CCC1=C(N)C=CC=C1 043275 [1,1,0,0,0,0|1,0,0]=3 594 B9R1.15 CCC1=C(S)C=CC=C1 001289 [1,1,0,0,0,0|1,0,0]=3 595 B9R1.15 CCC1=CC=CC=C1O 240992 [1,1,0,0,0,0|1,0,0]=3 596 B9R1.15 CCC1=CC=NC=C1C 188677 [1,1,0,0,0,0|2,0,0]=4 597 B9R1.15 CCC1=NC=NC=C1F 079955 [1,1,0,0,0,0|1,0,0]=3 598 B9R1.15 CCC1=[N+]([O-])C=CC=C1 032650 [1,1,0,0,0,0|0,0,1]=3 599 B9R1.15 CC[N+]1=C(Br)C=CC=C1 008541 [1,1,0,0,0,0|2,0,0]=4 600 B9R1.15 CNC1=C(Cl)C=CC=C1 009648 [1,1,0,0,0,0|2,0,0]=4 601 B9R1.15 CNC1=C(F)C=CC=C1 019280 [1,1,0,0,0,0|2,0,0]=4 602 B9R1.15 CNC1=CC=CC=C1N 078664 [1,1,0,0,0,0|2,0,0]=4 603 B9R1.15 CNC1=CC=CC=C1N 220032 [1,1,0,0,0,0|2,0,0]=4 604 B9R1.15 COC1=C(Br)C=CC=C1 002965 [1,1,0,0,0,0|2,0,0]=4 605 B9R1.15 COC1=C(F)C=CC=C1 002694 [1,1,0,0,0,0|2,0,0]=4 606 B9R1.15 COC1=C(I)C=CC=C1 001302 [1,1,0,0,0,0|2,0,0]=4 607 B9R1.15 COC1=C(N)C=CC=C1 043317 [1,1,0,0,0,0|2,0,0]=4 608 B9R1.15 COC1=C(S)C=CC=C1 003589 [1,1,0,0,0,0|2,0,0]=4 609 B9R1.15 COC1=CC=CC=C1C 242932 [1,1,0,0,0,0|2,0,0]=4 610 B9R1.15 COC1=CC=CC=C1O 241127 [1,1,0,0,0,0|2,0,0]=4 611 B9R1.15 COC1=NC=CC=C1F 220022 [1,1,0,0,0,0|1,0,0]=3 612 B9R1.15 COC1=NC=CC=C1I 036267 [1,1,0,0,0,0|1,0,0]=3 613 B9R1.15 CSC1=C(Br)C=CC=C1 001732 [1,1,0,0,0,0|2,0,0]=4 614 B9R1.15 CSC1=C(Cl)C=CC=C1 003552 [1,1,0,0,0,0|2,0,0]=4 615 B9R1.15 CSC1=C(F)C=CC=C1 019279 [1,1,0,0,0,0|2,0,0]=4 616 B9R1.15 CSC1=C(I)C=CC=C1 003738 [1,1,0,0,0,0|2,0,0]=4 617 B9R1.15 CSC1=C(N)C=CC=C1 002979 [1,1,0,0,0,0|2,0,0]=4 618 B9R1.15 CSC1=C(O)C=CC=C1 001770 [1,1,0,0,0,0|2,0,0]=4 619 B9R1.15 ClC1=C(CBr)C=CC=C1 001008 [1,1,0,0,0,0|2,0,0]=4 620 B9R1.15 ClCC1=CC=CC=C1Cl 088365 [1,1,0,0,0,0|2,0,0]=4 621 B9R1.15 FC1=C(CBr)C=CC=C1 006200 [1,1,0,0,0,0|2,0,0]=4 622 B9R1.15 FC1=C(CCl)C=CC=C1 001422 [1,1,0,0,0,0|2,0,0]=4 623 B9R1.15 FC1=C(CS)C=CC=C1 024341 [1,1,0,0,0,0|2,0,0]=4 624 B9R1.15 N#CC1=C(Cl)C=CC=N1 033256 [1,1,0,0,0,0|1,0,1]=4 625 B9R1.15 N#CC1=NC=CC=C1F 045828 [1,1,0,0,0,0|1,0,1]=4 626 B9R1.15 NC1=CC=CC=C1CO 036679 [1,1,0,0,0,0|2,0,0]=4 627 B9R1.15 NCC1=C(Cl)C=CC=C1 008868 [1,1,0,0,0,0|2,0,0]=4 628 B9R1.15 NCC1=C(F)C=CC=C1 006197 [1,1,0,0,0,0|2,0,0]=4 629 B9R1.15 NCC1=C(O)C=CC=C1 023454 [1,1,0,0,0,0|2,0,0]=4 630 B9R1.15 NCC1=CC=CC=C1Br 065390 [1,1,0,0,0,0|2,0,0]=4 631 B9R1.15 NCC1=CC=CC=C1N 076007 [1,1,0,0,0,0|2,0,0]=4 632 B9R1.15 O=CC1=C(F)C=CC=N1 036285 [1,1,0,0,0,0|1,0,1]=4 633 B9R1.15 OC1=C(CBr)N=CC=C1 431436 [1,1,0,0,0,0|1,0,0]=3 634 B9R1.15 OCC1=C(Cl)C=CC=C1 001375 [1,1,0,0,0,0|2,0,0]=4 635 B9R1.15 OCC1=C(F)C=CC=C1 006196 [1,1,0,0,0,0|2,0,0]=4 636 B9R1.15 OCC1=C(S)C=CC=C1 001239 [1,1,0,0,0,0|2,0,0]=4 637 B9R1.15 OCC1=CC=CC=C1I 093337 [1,1,0,0,0,0|2,0,0]=4 638 B9R1.15 OCC1=CC=CC=C1O 078974 [1,1,0,0,0,0|2,0,0]=4 639 B9R1.15 OCC1=NC=CC=C1O 092366 [1,1,0,0,0,0|1,0,0]=3 640 B9R1.15 SCC1=C(Br)C=CC=C1 024350 [1,1,0,0,0,0|2,0,0]=4 641 B9R1.7 NCCN1C=C(Cl)C=N1 030426 [0,1,0,0,1,0|2,0,0]=4 642 B9R1.11 CCC(=O)C1=CC=CN1 180052 [0,1,0,0,1,0|0,0,2]=4 643 B9R1.11 CCC(=O)C1=CC=CS1 001219 [0,1,0,0,1,0|1,0,1]=4 644 B9R1.11 NCC(O)C1=CC=CS1 019507 [0,1,0,0,1,0|2,0,0]=4 645 B9R1.12 CCCCN1C=CN=C1 078630 [0,1,0,0,1,0|2,0,0]=4 646 B9R1.12 N#CCCN1C=CC=C1 239264 [0,1,0,0,1,0|1,0,1]=4 647 B9R1.12 NCCCN1C=CN=C1 046713 [0,1,0,0,1,0|2,0,0]=4 648 B9R1.12 OCCCN1C=CN=C1 034932 [0,1,0,0,1,0|2,0,0]=4 649 B9R1.13 CC(C)CC1=NC=CS1 009620 [0,1,0,0,1,0|1,0,0]=3 650 B9R1.33 NC1=CC=NN1CCO 069979 [0,1,0,0,1,0|2,0,0]=4 651 B11R1.1 CC1=CC=C(SCCO)C=C1 094955 [0,2,0,0,0,0|2,0,0]=4 652 B11R1.1 CCCCC1=CC=C(Br)C=C1 002481 [0,2,0,0,0,0|1,0,0]=3 653 B11R1.1 CCCCC1=CC=C(I)C=C1 241341 [0,2,0,0,0,0|1,0,0]=3 654 B11R1.1 CCCCC1=CC=C(N)C=C1 037413 [0,2,0,0,0,0|1,0,0]=3 655 B11R1.1 CCCCC1=CC=C(O)C=C1 358059 [0,2,0,0,0,0|1,0,0]=3 656 B11R1.1 CCCOC1=CC=C(Br)C=C1 080302 [0,2,0,0,0,0|1,0,0]=3 657 B11R1.1 CCCOC1=CC=C(C)C=C1 097641 [0,2,0,0,0,0|1,0,0]=3 658 B11R1.1 CCCOC1=CC=C(O)C=C1 225506 [0,2,0,0,0,0|1,0,0]=3 659 B11R1.1 CCCSC1=CC=C(C)C=C1 094774 [0,2,0,0,0,0|1,0,0]=3 660 B11R1.1 N#CCCC1=CC=C(Br)C=C1 018025 [0,2,0,0,0,0|1,0,1]=4 661 B11R1.1 N#CCCC1=CC=C(Cl)C=C1 018436 [0,2,0,0,0,0|1,0,1]=4 662 B11R1.1 N#CCCC1=CC=C(O)C=C1 018729 [0,2,0,0,0,0|1,0,1]=4 663 B11R1.1 NCCOC1=CC=C(Cl)C=C1 038853 [0,2,0,0,0,0|2,0,0]=4 664 B11R1.1 OCCCC1=CC=C(Br)C=C1 078163 [0,2,0,0,0,0|1,0,0]=3 665 B11R1.1 OCCSC1=CC=C(F)C=C1 019281 [0,2,0,0,0,0|2,0,0]=4 666 B11R1.20 CC(=O)CC1=CC=C(Br)C=C1 022868 [0,2,0,0,0,0|1,0,1]=4 667 B11R1.20 CC(=O)CC1=CC=C(C)C=C1 002599 [0,2,0,0,0,0|1,0,1]=4 668 B11R1.20 CC(=O)CC1=CC=C(Cl)C=C1 002534 [0,2,0,0,0,0|1,0,1]=4 669 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 009228 [0,2,0,0,0,0|1,0,1]=4 670 B11R1.20 CC(=O)CC1=CC=C(O)C=C1 079222 [0,2,0,0,0,0|1,0,1]=4 671 B11R1.20 CC(=O)NC1=NC=C(Br)C=C1 040640 [0,2,0,0,0,0|1,0,1]=4 672 B11R1.20 CC(C)OC1=CC=C(Br)C=C1 043417 [0,2,0,0,0,0|2,0,0]=4 673 B11R1.20 CC(C)OC1=CC=C(N)C=C1 038449 [0,2,0,0,0,0|2,0,0]=4 674 B11R1.20 CC(C)OC1=CC=C(N)C=C1 150800 [0,2,0,0,0,0|2,0,0]=4 675 B11R1.20 CC(C)OC1=CC=C(S)C=C1 038455 [0,2,0,0,0,0|2,0,0]=4 676 B11R1.20 CC(C)SC1=CC=C(Cl)C=C1 094984 [0,2,0,0,0,0|2,0,0]=4 677 B11R1.20 CC1=CC=C(SC(C)C)C=C1 094759 [0,2,0,0,0,0|2,0,0]=4 678 B11R1.22 CCC(=O)C1=CC=C(Br)C=C1 001001 [0,2,0,0,0,0|1,0,1]=4 679 B11R1.22 CCC(=O)C1=CC=C(C)C=C1 216656 [0,2,0,0,0,0|1,0,1]=4 680 B11R1.22 CCC(=O)C1=CC=C(Cl)C=C1 025639 [0,2,0,0,0,0|1,0,1]=4 681 B11R1.22 CCC(=O)C1=CC=C(F)C=C1 001190 [0,2,0,0,0,0|1,0,1]=4 682 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 078553 [0,2,0,0,0,0|1,0,1]=4 683 B11R1.22 CCC(C)C1=CC=C(O)C=C1 098816 [0,2,0,0,0,0|1,0,0]=3 684 B11R1.22 COC(=O)C1=NC=C(Br)C=C1 035935 [0,2,0,0,0,0|1,0,1]=4 685 B11R1.22 COC(=O)C1=NC=C(C)C=C1 209069 [0,2,0,0,0,0|1,0,1]=4 686 B11R1.22 COC(=O)C1=NC=C(O)C=C1 070001 [0,2,0,0,0,0|1,0,1]=4 687 B11R1.22 NCC(O)C1=CC=C(O)C=C1 375146 [0,2,0,0,0,0|2,0,0]=4 688 B11R1.81 CC1=CC(C)=C(CCN)C=C1 018631 [0,2,0,0,0,0|2,0,0]=4 689 B11R1.81 CCOC1=C(Br)C=C(F)C=C1 094411 [0,2,0,0,0,0|2,0,0]=4 690 B11R1.81 CCOC1=C(C)C=C(F)C=C1 098580 [0,2,0,0,0,0|2,0,0]=4 691 B11R1.81 CCOC1=C(Cl)C=C(F)C=C1 013276 [0,2,0,0,0,0|2,0,0]=4 692 B11R1.81 CCOC1=C(F)C=C(F)C=C1 104550 [0,2,0,0,0,0|2,0,0]=4 693 B11R1.81 CCOC1=CC=C(Br)C=C1C 038826 [0,2,0,0,0,0|2,0,0]=4 694 B11R1.81 CCSC1=C(Cl)C=C(Cl)C=C1 094711 [0,2,0,0,0,0|2,0,0]=4 695 B11R1.81 CNCC1=C(Cl)C=C(Cl)C=C1 043358 [0,2,0,0,0,0|2,0,0]=4 696 B11R1.81 CNCC1=CC=C(F)C=C1F 226208 [0,2,0,0,0,0|2,0,0]=4 697 B11R1.81 NCCC1=CC=C(Cl)C=C1F 075240 [0,2,0,0,0,0|2,0,0]=4 698 B11R1.81 NCCC1=CC=C(F)C=C1F 075233 [0,2,0,0,0,0|2,0,0]=4 699 B11R1.81 OCCC1=C(F)C=C(Cl)C=C1 104573 [0,2,0,0,0,0|2,0,0]=4 700 B11R1.81 OCCC1=CC=C(Br)C=C1F 245246 [0,2,0,0,0,0|2,0,0]=4 701 B11R1.81 OCCC1=CC=C(F)C=C1F 246524 [0,2,0,0,0,0|2,0,0]=4 702 B11R1.83 CCC1=CC=C(CCN)C=C1 141300 [0,2,0,0,0,0|2,0,0]=4 703 B11R1.83 CCC1=CN=C(CCO)C=C1 036554 [0,2,0,0,0,0|1,0,0]=3 704 B11R1.83 CCOC1=CC=C(C#N)C=C1 018663 [0,2,0,0,0,0|2,0,0]=4 705 B11R1.83 CCOC1=CC=C(C=O)C=C1 078991 [0,2,0,0,0,0|2,0,0]=4 706 B11R1.83 CCOC1=CC=C(CO)C=C1 459231 [0,2,0,0,0,0|2,0,0]=4 707 B11R1.83 CCOC1=CC=C(SC)C=C1 098464 [0,2,0,0,0,0|2,0,0]=4 708 B11R1.83 CCSC1=CC=C(OC)C=C1 094724 [0,2,0,0,0,0|2,0,0]=4 709 B11R1.83 CNCC1=CC=C(OC)C=C1 042366 [0,2,0,0,0,0|2,0,0]=4 710 B11R1.83 COC1=CC=C(CCCl)C=C1 330010 [0,2,0,0,0,0|2,0,0]=4 711 B11R1.83 COC1=CC=C(CCN)C=C1 008885 [0,2,0,0,0,0|2,0,0]=4 712 B11R1.83 COC1=CC=C(CCO)C=C1 209105 [0,2,0,0,0,0|2,0,0]=4 713 B11R1.83 COCC1=CC=C(CN)C=C1 075961 [0,2,0,0,0,0|2,0,0]=4 714 B11R1.192 CC1=C(C)C=C(CCN)C=C1 018634 [0,2,0,0,0,0|2,0,0]=4 715 B11R1.192 CCOC1=CC(F)=C(Cl)C=C1 013281 [0,2,0,0,0,0|2,0,0]=4 716 B11R1.192 CCOC1=CC(F)=C(F)C=C1 013302 [0,2,0,0,0,0|2,0,0]=4 717 B11R1.192 CCOC1=CC=C(Br)C(C)=C1 210905 [0,2,0,0,0,0|2,0,0]=4 718 B11R1.192 NCCC1=CC(Cl)=C(F)C=C1 075249 [0,2,0,0,0,0|2,0,0]=4 719 B11R1.192 NCCC1=CC=C(Cl)C(Cl)=C1 128205 [0,2,0,0,0,0|2,0,0]=4 720 B11R1.192 OCCC1=CC(Cl)=C(Cl)C=C1 022138 [0,2,0,0,0,0|2,0,0]=4 721 B11R1.192 OCCC1=CC(F)=C(F)C=C1 022223 [0,2,0,0,0,0|2,0,0]=4 722 B11R1.13 CCOC1=C(F)C(Cl)=CC=C1 097707 [0,2,0,0,0,0|2,0,0]=4 723 B11R1.17 CCCCC1=CC=CC=C1N 330100 [0,2,0,0,0,0|1,0,0]=3 724 B11R1.17 CCCOC1=CC=CC=C1F 218796 [0,2,0,0,0,0|1,0,0]=3 725 B11R1.17 COCOC1=CC=CC=C1Br 308278 [0,2,0,0,0,0|2,0,0]=4 726 B11R1.17 OCCCC1=CC=CC=C1Cl 334105 [0,2,0,0,0,0|1,0,0]=3 727 B11R1.17 OCCOC1=CC=CC=C1O 319577 [0,2,0,0,0,0|2,0,0]=4 728 B11R1.17 OCCSC1=C(Br)C=CC=C1 019302 [0,2,0,0,0,0|2,0,0]=4 729 B11R1.17 OCCSC1=C(Cl)C=CC=C1 019305 [0,2,0,0,0,0|2,0,0]=4 730 B11R1.17 OCCSC1=C(F)C=CC=C1 019277 [0,2,0,0,0,0|2,0,0]=4 731 B11R1.41 CCOC1=C(C#N)C=CC=C1 018661 [0,2,0,0,0,0|2,0,0]=4 732 B11R1.41 CCOC1=C(C=O)C=CC=C1 420802 [0,2,0,0,0,0|2,0,0]=4 733 B11R1.41 CCOC1=CC=CC=C1CN 075294 [0,2,0,0,0,0|2,0,0]=4 734 B11R1.41 CCOC1=CC=CC=C1OC 329273 [0,2,0,0,0,0|2,0,0]=4 735 B11R1.41 COC1=CC=CC=C1CCN 040168 [0,2,0,0,0,0|2,0,0]=4 736 B11R1.86 CC(C)OC1=C(F)C=CC=C1 098216 [0,2,0,0,0,0|2,0,0]=4 737 B11R1.86 CC(C)OC1=C(N)C=CC=C1 038802 [0,2,0,0,0,0|2,0,0]=4 738 B11R1.86 CC(C)OC1=C(O)C=CC=C1 463350 [0,2,0,0,0,0|2,0,0]=4 739 B11R1.86 CC1=C(OC(C)C)C=CC=C1 024930 [0,2,0,0,0,0|2,0,0]=4 740 B11R1.86 CN(C)CC1=C(O)C=CC=C1 103436 [0,2,0,0,0,0|2,0,0]=4 741 B11R1.182 CC1=CC(CCN)=C(C)C=C1 018632 [0,2,0,0,0,0|2,0,0]=4 742 B11R1.182 CCOC1=C(Br)C=CC(F)=C1 401040 [0,2,0,0,0,0|2,0,0]=4 743 B11R1.182 CCOC1=C(Cl)C=CC(Br)=C1 038697 [0,2,0,0,0,0|2,0,0]=4 744 B11R1.182 CCOC1=C(Cl)C=CC(F)=C1 013277 [0,2,0,0,0,0|2,0,0]=4 745 B11R1.182 CCOC1=C(F)C=CC(Cl)=C1 013282 [0,2,0,0,0,0|2,0,0]=4 746 B11R1.182 CCOC1=C(N)C=CC(Br)=C1 038696 [0,2,0,0,0,0|2,0,0]=4 747 B11R1.182 CCOC1=CC(Br)=CC=C1F 231113 [0,2,0,0,0,0|2,0,0]=4 748 B11R1.182 NCCC1=CC(Cl)=CC=C1F 075253 [0,2,0,0,0,0|2,0,0]=4 749 B11R1.182 OCCC1=C(F)C=CC(F)=C1 342659 [0,2,0,0,0,0|2,0,0]=4 750 B11R1.222 CCC(=O)C1=C(O)C=CC=C1 520894 [0,2,0,0,0,0|1,0,1]=4 751 B11R1.222 CCC(C)C1=C(O)C=CC=C1 099269 [0,2,0,0,0,0|1,0,0]=3 752 B11R1.222 CCC(C)C1=CC=CC=C1N 320033 [0,2,0,0,0,0|1,0,0]=3 753 B11R1.222 COC(=O)C1=NC=CC=C1Br 214698 [0,2,0,0,0,0|1,0,1]=4 754 B11R1.605 CCOC1=C(C)C=CC=C1C 094762 [0,2,0,0,0,0|2,0,0]=4 755 B11R1.605 CCOC1=C(Cl)C=CC=C1F 097723 [0,2,0,0,0,0|2,0,0]=4 756 B11R1.605 CCSC1=C(Cl)C=CC=C1Cl 097740 [0,2,0,0,0,0|2,0,0]=4 757 B11R1.605 NCCC1=C(Cl)C=CC=C1Cl 128200 [0,2,0,0,0,0|2,0,0]=4 758 B11R1.605 OCCC1=C(Cl)C=CC=C1Cl 092110 [0,2,0,0,0,0|2,0,0]=4 759 B11R1.23 CCC(=O)C1=CC(Cl)=CC=C1 003621 [0,2,0,0,0,0|1,0,1]=4 760 B11R1.23 CCC(=O)C1=CC=CC(Br)=C1 114000 [0,2,0,0,0,0|1,0,1]=4 761 B11R1.23 CCC(=O)C1=CC=CC(C)=C1 240661 [0,2,0,0,0,0|1,0,1]=4 762 B11R1.23 CNC(=O)C1=NC=CC(Cl)=C1 068430 [0,2,0,0,0,0|1,0,1]=4 763 B11R1.23 COC(=O)C1=CC=CC(Br)=N1 049693 [0,2,0,0,0,0|1,0,1]=4 764 B11R1.23 COC(=O)C1=NC(C)=CC=C1 032619 [0,2,0,0,0,0|1,0,1]=4 765 B11R1.23 COC(=O)C1=NC(N)=CC=C1 078136 [0,2,0,0,0,0|1,0,1]=4 766 B11R1.23 COC(=O)C1=NC=CC(Br)=C1 043009 [0,2,0,0,0,0|1,0,1]=4 767 B11R1.23 COC(=O)C1=NC=CC(Cl)=C1 066860 [0,2,0,0,0,0|1,0,1]=4 768 B11R1.24 C=CCCC1=CC=CC(Br)=C1 200069 [0,2,0,0,0,0|1,0,1]=4 769 B11R1.24 CC1=CC(CCCO)=CC=N1 032560 [0,2,0,0,0,0|2,0,0]=4 770 B11R1.24 CC1=CC=CC(CCCO)=N1 032551 [0,2,0,0,0,0|0,0,0]=2 771 B11R1.24 CCCCC1=CC(N)=CC=C1 037562 [0,2,0,0,0,0|1,0,0]=3 772 B11R1.24 CCCCC1=CC=CC(Br)=C1 037560 [0,2,0,0,0,0|1,0,0]=3 773 B11R1.24 CCCCC1=CC=CC(I)=C1 037561 [0,2,0,0,0,0|1,0,0]=3 774 B11R1.24 CCCOC1=CC=CC(Br)=C1 095129 [0,2,0,0,0,0|1,0,0]=3 775 B11R1.24 CCCOC1=CC=CC(C)=C1 095348 [0,2,0,0,0,0|1,0,0]=3 776 B11R1.24 N#CCCC1=CC=CC(Br)=C1 018313 [0,2,0,0,0,0|1,0,1]=4 777 B11R1.24 NCCOC1=CC=CC(Cl)=C1 041893 [0,2,0,0,0,0|2,0,0]=4 778 B11R1.24 OCCCC1=CC=CC(Cl)=C1 215060 [0,2,0,0,0,0|1,0,0]=3 779 B11R1.24 OCCSC1=CC(Br)=CC=C1 086491 [0,2,0,0,0,0|2,0,0]=4 780 B11R1.24 OCCSC1=CC(Cl)=CC=C1 019306 [0,2,0,0,0,0|2,0,0]=4 781 B11R1.24 OCCSC1=CC(F)=CC=C1 019276 [0,2,0,0,0,0|2,0,0]=4 782 B11R1.34 CCOC1=CC(Br)=CC(F)=C1 229428 [0,2,0,0,0,0|2,0,0]=4 783 B11R1.34 CCOC1=CC(F)=CC(F)=C1 098475 [0,2,0,0,0,0|2,0,0]=4 784 B11R1.34 NCCC1=CC(Cl)=CC(Cl)=C1 238692 [0,2,0,0,0,0|2,0,0]=4 785 B11R1.34 OCCC1=CC(Br)=CC(Br)=C1 104747 [0,2,0,0,0,0|2,0,0]=4 786 B11R1.157 CC(=O)CC1=CC=CC(Br)=C1 306942 [0,2,0,0,0,0|1,0,1]=4 787 B11R1.157 CC(=O)NC1=CC(C)=CC=N1 032647 [0,2,0,0,0,0|1,0,1]=4 788 B11R1.157 CC(C)OC1=CC(S)=CC=C1 023119 [0,2,0,0,0,0|2,0,0]=4 789 B11R1.157 CC(C)OC1=CC=CC(Br)=C1 024863 [0,2,0,0,0,0|2,0,0]=4 790 B11R1.157 CC(C)SC1=CC=CC(Br)=C1 094811 [0,2,0,0,0,0|2,0,0]=4 791 B11R1.157 CC1=CC(OC(C)C)=CC=C1 095161 [0,2,0,0,0,0|2,0,0]=4 792 B11R1.189 CCOC1=CC=CC(C#N)=C1 018662 [0,2,0,0,0,0|2,0,0]=4 793 B11R1.189 COC1=CC(CCBr)=CC=C1 485630 [0,2,0,0,0,0|2,0,0]=4 794 B11R1.189 COC1=CC=CC(CCN)=C1 008884 [0,2,0,0,0,0|2,0,0]=4 795 B11R1.7 CCC(C)(C)C1=CC=CC=C1 226678 [0,2,0,0,0,0|1,0,0]=3 796 B11R1.7 CCS(=O)(=O)C1=CC=CC=C1 001288 [0,2,0,0,0,0|2,0,0]=4 797 B11R1.7 FC(F)(CBr)C1=CC=CC=C1 034191 [0,2,0,0,0,0|2,0,0]=4 798 B11R1.12 CCC(C#N)C1=CC=CC=C1 099619 [0,2,0,0,0,0|1,0,0]=3 799 B11R1.12 CCC(CC)C1=NC=CC=C1 032554 [0,2,0,0,0,0|0,0,0]=2 800 B11R1.12 CCC(CO)C1=NC=CC=C1 032577 [0,2,0,0,0,0|0,0,0]=2 801 B11R1.12 CCN(CC)C1=CC=CC=C1 043437 [0,2,0,0,0,0|2,0,0]=4 802 B11R1.12 CCN(CC)C1=CC=CC=C1 226653 [0,2,0,0,0,0|2,0,0]=4 803 B11R1.12 COC(OC)C1=CC=CC=C1 018193 [0,2,0,0,0,0|2,0,0]=4 804 B11R1.16 CC(CC=O)C1=CC=CC=C1 520893 [0,2,0,0,0,0|1,0,1]=4 805 B11R1.16 CCC[C@@H](O)C1=CC=CC=C1 355875 [0,2,0,0,0,0|1,0,0]=3 806 B11R1.16 CCC[C@H](O)C1=CC=CC=C1 488025 [0,2,0,0,0,0|1,0,0]=3 807 B11R1.16 CCOC(=O)C1=CC=CC=C1 300758 [0,2,0,0,0,0|1,0,1]=4 808 B11R1.16 CCOC(=O)C1=NC=CC=C1 079053 [0,2,0,0,0,0|0,0,1]=3 809 B11R1.16 CCOC(=O)C1=NC=CC=C1 141800 [0,2,0,0,0,0|0,0,1]=3 810 B11R1.16 CCOC(=O)C1=NC=CN=C1 216407 [0,2,0,0,0,0|1,0,1]=4 811 B11R1.16 CCO[PH](=O)C1=CC=CC=C1 230391 [0,2,0,0,0,0|2,0,0]=4 812 B11R1.16 CN(CCO)C1=CC=CC=C1 241296 [0,2,0,0,0,0|2,0,0]=4 813 B11R1.16 CN(CCO)C1=NC=CC=C1 036588 [0,2,0,0,0,0|1,0,0]=3 814 B11R1.16 CNCC(O)C1=CC=CC=C1 402378 [0,2,0,0,0,0|1,0,0]=3 815 B11R1.16 COCC(=O)C1=CC=CC=C1 321462 [0,2,0,0,0,0|1,0,1]=4 816 B11R1.16 N#CCC(=O)C1=CC=CC=N1 386821 [0,2,0,0,0,0|0,0,2]=4 817 B11R1.16 O=C(CCCl)C1=CC=CC=C1 092658 [0,2,0,0,0,0|1,0,1]=4 818 B11R1.36 CC(Br)C(=O)C1=CC=CC=C1 003400 [0,2,0,0,0,0|1,0,1]=4 819 B11R1.36 CC(C)C(=O)C1=CC=CC=C1 236802 [0,2,0,0,0,0|1,0,1]=4 820 B11R1.36 CC(C)C(C)C1=CC=NC=C1 032640 [0,2,0,0,0,0|2,0,0]=4 821 B11R1.36 CC(C)C(O)C1=CC=CC=C1 242324 [0,2,0,0,0,0|1,0,0]=3 822 B11R1.28 BrCCCCC1=CC=CC=C1 008935 [0,2,0,0,0,0|1,0,0]=3 823 B11R1.28 BrCCCOC1=CC=CC=C1 001213 [0,2,0,0,0,0|1,0,0]=3 824 B11R1.28 BrCCOCC1=CC=CC=C1 214587 [0,2,0,0,0,0|1,0,0]=3 825 B11R1.28 CCCCNC1=CC=CC=C1 236771 [0,2,0,0,0,0|1,0,0]=3 826 B11R1.28 CCCCNC1=NC=CC=C1 102648 [0,2,0,0,0,0|0,0,0]=2 827 B11R1.28 CCCCOC1=CC=CC=C1 001072 [0,2,0,0,0,0|1,0,0]=3 828 B11R1.28 CCC\C=C\C1=CC=CC=C1 099042 [0,2,0,0,0,0|1,0,0]=3 829 B11R1.28 CCO\C=N\C1=CC=CC=C1 102609 [0,2,0,0,0,0|1,0,1]=4 830 B11R1.28 CNCCOC1=CC=CC=C1 023561 [0,2,0,0,0,0|1,0,0]=3 831 B11R1.28 COCCSC1=NC=CC=C1 097658 [0,2,0,0,0,0|0,0,0]=2 832 B11R1.28 ClCCCSC1=CC=CC=C1 106017 [0,2,0,0,0,0|1,0,0]=3 833 B11R1.28 ClCCOCC1=CC=CC=C1 222450 [0,2,0,0,0,0|1,0,0]=3 834 B11R1.28 N#CCCNC1=CC=CC=C1 099472 [0,2,0,0,0,0|1,0,1]=4 835 B11R1.28 NCCNCC1=CC=CC=C1 209057 [0,2,0,0,0,0|1,0,0]=3 836 B11R1.28 NCCSCC1=CC=CC=C1 360466 [0,2,0,0,0,0|1,0,0]=3 837 B11R1.28 O=C=NCCC1=CC=CC=C1 067795 [0,2,0,0,0,0|1,0,1]=4 838 B11R1.28 O=CCOCC1=CC=CC=C1 209052 [0,2,0,0,0,0|1,0,1]=4 839 B11R1.28 OCCCCC1=CC=CC=C1 003411 [0,2,0,0,0,0|1,0,0]=3 840 B11R1.28 OCCCCC1=CC=NC=C1 032569 [0,2,0,0,0,0|2,0,0]=4 841 B11R1.28 OCCNCC1=CC=CC=C1 235550 [0,2,0,0,0,0|1,0,0]=3 842 B11R1.28 OCCNCC1=CC=CN=C1 025443 [0,2,0,0,0,0|2,0,0]=4 843 B11R1.28 OCCOCC1=CC=CC=C1 238804 [0,2,0,0,0,0|1,0,0]=3 844 B11R1.28 OCCSCC1=CC=CC=C1 003733 [0,2,0,0,0,0|1,0,0]=3 845 B11R1.28 S=C=NCCC1=CC=CC=C1 009560 [0,2,0,0,0,0|1,0,1]=4 846 B11R1.40 CCC(O)CC1=CC=CC=C1 103563 [0,2,0,0,0,0|1,0,0]=3 847 B11R1.40 CNC(=O)CC1=CC=CC=C1 449006 [0,2,0,0,0,0|1,0,1]=4 848 B11R1.40 COC(=O)CC1=NC=CC=C1 092468 [0,2,0,0,0,0|0,0,1]=3 849 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 M04116 [0,2,0,0,0,0|1,0,0]=3 850 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 317870 [0,2,0,0,0,0|1,0,0]=3 851 B11R1.40 N\C(CC1=NC=CC=C1)=N/O 098169 [0,2,0,0,0,0|1,0,1]=4 852 B11R1.40 O[C@H](CCl)CC1=CC=CC=C1 036095 [0,2,0,0,0,0|1,0,0]=3 853 B11R1.91 CC(=N)SCC1=CC=CC=C1 471468 [0,2,0,0,0,0|1,0,1]=4 854 B11R1.91 CC(=O)CCC1=CC=CC=C1 454566 [0,2,0,0,0,0|1,0,0]=3 855 B11R1.91 CC(C)NCC1=CC=CC=C1 366623 [0,2,0,0,0,0|1,0,0]=3 856 B11R1.91 CC(C)OCC1=CC=CC=C1 095354 [0,2,0,0,0,0|1,0,0]=3 857 B11R1.91 CC(O)CCC1=CC=CC=C1 328963 [0,2,0,0,0,0|1,0,0]=3 858 B11R1.91 CC(O)COC1=CC=CC=C1 099908 [0,2,0,0,0,0|1,0,0]=3 859 B11R1.91 CN(C)CCC1=NC=CC=C1 098956 [0,2,0,0,0,0|0,0,0]=2 860 B11R1.91 NC(=O)CCC1=CC=CC=C1 353451 [0,2,0,0,0,0|1,0,1]=4 861 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 448612 [0,2,0,0,0,0|1,0,1]=4 862 B11R1.91 O=C(O)CCC1=CC=CC=C1 216287 [0,2,0,0,0,0|1,0,1]=4 863 B11R1.91 O=C(O)CCC1=CC=CC=N1 075030 [0,2,0,0,0,0|0,0,1]=3 864 B11R1.509 CC(C)(C)CC1=CC=CC=C1 242566 [0,2,0,0,0,0|1,0,0]=3 865 B11R1.509 CC(C)(C)OC1=CC=CC=N1 462501 [0,2,0,0,0,0|1,0,0]=3 866 B11R1.509 CC(C)(O)CC1=CC=CC=C1 461052 [0,2,0,0,0,0|1,0,0]=3 867 B11R1.509 CS(=O)(=O)CC1=CC=CC=C1 003687 [0,2,0,0,0,0|2,0,0]=4 868 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 019289 [0,2,0,0,0,0|2,0,0]=4 869 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 094171 [0,2,0,0,0,0|2,0,0]=4 870 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 094988 [0,2,0,0,0,0|2,0,0]=4 871 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 097679 [0,2,0,0,0,0|2,0,0]=4 872 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 097803 [0,2,0,0,0,0|2,0,0]=4 873 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 235646 [0,2,0,0,0,0|2,0,0]=4 874 B11R1.509 C[Si](C)(Cl)CC1=CC=CC=C1 S00950 [0,2,0,0,0,0|1,1,0]=4 875 B11R1.509 FC(F)(F)CC1=CC=CC=C1 094976 [0,2,0,0,0,0|2,0,0]=4 876 B11R2.36 BrC1=CC2=C(C=C1)NCC2 092323 [0,1,0,1,0,0|2,0,0]=4 877 B11R2.36 BrC1=CC=C2OCCC2=C1 017488 [0,1,0,1,0,0|2,0,0]=4 878 B11R2.36 CC1=CC2=C(C=C1)NCC2 208813 [0,1,0,1,0,0|2,0,0]=4 879 B11R2.36 FC1=CC=C2NCCC2=C1 009193 [0,1,0,1,0,0|2,0,0]=4 880 B11R2.36 IC1=CC=C2OCCC2=C1 017491 [0,1,0,1,0,0|2,0,0]=4 881 B11R2.36 NC1=CC2=C(C=C1)CCC2 225604 [0,1,0,1,0,0|1,0,0]=3 882 B11R2.36 OC1=CC=C2CCCC2=C1 008833 [0,1,0,1,0,0|1,0,0]=3 883 B11R2.10 CC1=CC2=C(C=CC=C2)C1 222644 [0,1,0,1,0,0|1,0,1]=4 884 B11R2.10 CC1CC2=C(C=CC=C2)N1 221619 [0,1,0,1,0,0|1,0,0]=3 885 B11R2.10 NC1CC2=C(C=CC=C2)C1 046718 [0,1,0,1,0,0|1,0,0]=3 886 B11R2.10 NC1CC2=C(C=CC=C2)C1 048090 [0,1,0,1,0,0|1,0,0]=3 887 B11R2.10 O=C1CC2=C(C=CC=C2)C1 045209 [0,1,0,1,0,0|1,0,1]=4 888 B11R2.10 O=C1CC2=CC=CN=C2N1 079352 [0,1,0,1,0,0|1,0,1]=4 889 B11R2.10 OC1CC2=C(C=CC=C2)C1 216695 [0,1,0,1,0,0|1,0,0]=3 890 B11R2.20 C1=CC2=C(C=C1)CCCC2 075145 [0,1,0,1,0,0|1,0,0]=3 891 B11R2.20 C1=CC2=C(C=C1)CNCC2 040081 [0,1,0,1,0,0|1,0,0]=3 892 B11R2.20 C1=CC2=C(C=C1)NCCC2 040080 [0,1,0,1,0,0|1,0,0]=3 893 B11R2.20 C1=CC2=C(C=N1)CCCC2 304059 [0,1,0,1,0,0|2,0,0]=4 894 B11R2.20 C1=CC2=C(CCCC2)N=C1 044802 [0,1,0,1,0,0|0,0,0]=2 895 B11R2.20 C1=CC=C2COCCC2=C1 237176 [0,1,0,1,0,0|1,0,0]=3 896 B11R2.20 C1=CC=C2OCCNC2=C1 075546 [0,1,0,1,0,0|2,0,0]=4 897 B11R2.55 CC1=C(C2CC2)C=CN=C1 032595 [0,1,0,1,0,0|2,0,0]=4 898 B11R2.106 BrC1=CC=CC2=C1CCN2 091905 [0,1,0,1,0,0|2,0,0]=4 899 B11R2.106 ClC1=C2CCNC2=NC=N1 093657 [0,1,0,1,0,0|2,0,0]=4 900 B11R2.106 ClC1=CC=CC2=C1CCN2 092976 [0,1,0,1,0,0|2,0,0]=4 901 B11R2.35 ClC1=CC(C2CO2)=CC=C1 040186 [0,1,0,1,0,0|2,0,0]=4 902 B11R2.1 CC1CNC2=C1C=CC=C2 209516 [0,1,0,1,0,0|1,0,0]=3 903 B11R2.1 NC1CCC2=C1C=CC=C2 219954 [0,1,0,1,0,0|1,0,0]=3 904 B11R2.1 O=C1CCC2=C1C=CC=C2 036208 [0,1,0,1,0,0|1,0,1]=4 905 B11R2.1 OC1CCC2=CC=CC=C21 008845 [0,1,0,1,0,0|1,0,0]=3 906 B11R2.1 O[C@@H]1CCC2=CC=CC=C21 454961 [0,1,0,1,0,0|1,0,0]=3 907 B11R2.1 O[C@H]1CCC2=CC=CC=C21 106570 [0,1,0,1,0,0|1,0,0]=3 908 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 390375 [0,1,0,1,0,0|1,0,0]=3 909 B7R1.1 CCC1=CC=CN1 002567 [1,0,0,0,1,0|0,0,1]=3 910 B7R1.1 CCC1=CC=CS1 001177 [1,0,0,0,1,0|1,0,0]=3 911 B7R1.1 CCC1=CSC=C1 006141 [1,0,0,0,1,0|1,0,0]=3 912 B7R1.1 CCC1=NC=CN1 018684 [1,0,0,0,1,0|1,0,0]=3 913 B7R1.1 CCN1C=CC=C1 002566 [1,0,0,0,1,0|1,0,0]=3 914 B7R1.1 CCN1C=CC=N1 068645 [1,0,0,0,1,0|1,0,0]=3 915 B7R1.1 CCN1C=CN=C1 078976 [1,0,0,0,1,0|2,0,0]=4 916 B7R1.1 COC1=CSC=C1 013627 [1,0,0,0,1,0|2,0,0]=4 917 B7R1.1 COC1=NC=CS1 009621 [1,0,0,0,1,0|2,0,0]=4 918 B7R1.1 CSC1=NC=CS1 009622 [1,0,0,0,1,0|2,0,0]=4 919 B7R1.1 ClCC1=CNC=N1 016135 [1,0,0,0,1,0|2,0,0]=4 920 B7R1.1 ClCC1=CSC=N1 013925 [1,0,0,0,1,0|2,0,0]=4 921 B7R1.1 ClCC1=NC=CN1 023425 [1,0,0,0,1,0|2,0,0]=4 922 B7R1.1 NCC1=CC=CO1 358202 [1,0,0,0,1,0|2,0,0]=4 923 B7R1.1 NCC1=CC=CS1 092186 [1,0,0,0,1,0|2,0,0]=4 924 B7R1.1 NCC1=COC=N1 219245 [1,0,0,0,1,0|2,0,0]=4 925 B7R1.1 NCC1=NC=CS1 013114 [1,0,0,0,1,0|2,0,0]=4 926 B7R1.1 NCC1=NNC=C1 043021 [1,0,0,0,1,0|2,0,0]=4 927 B7R1.1 OCC1=CC=CO1 143000 [1,0,0,0,1,0|2,0,0]=4 928 B7R1.1 OCC1=CC=CS1 208652 [1,0,0,0,1,0|2,0,0]=4 929 B7R1.1 OCC1=CNC=N1 016121 [1,0,0,0,1,0|2,0,0]=4 930 B7R1.1 OCC1=CNC=N1 067734 [1,0,0,0,1,0|2,0,0]=4 931 B7R1.1 OCC1=COC=C1 092657 [1,0,0,0,1,0|2,0,0]=4 932 B7R1.1 OCC1=CSC=C1 067714 [1,0,0,0,1,0|2,0,0]=4 933 B7R1.1 OCC1=CSC=N1 016174 [1,0,0,0,1,0|2,0,0]=4 934 B7R1.1 OCC1=NC=CS1 067720 [1,0,0,0,1,0|2,0,0]=4 935 B7R1.1 OCN1C=CC=N1 078295 [1,0,0,0,1,0|2,0,0]=4 936 B7R1.1 SCC1=CC=CO1 002796 [1,0,0,0,1,0|2,0,0]=4 937 B7R1.1 SCC1=CC=CS1 104865 [1,0,0,0,1,0|2,0,0]=4