0 B9R1.1 BrCC1=CC=C(Br)C=C1 001368 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.1 BrCC1=CC=C(I)C=C1 018740 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.1 C#CC1=CC=C(C)C=C1 040031 [0,0,0,0,0,0|2,0,2]=4 3 B9R1.1 C=CC1=CC=C(C)C=C1 236761 [0,0,0,0,0,0|2,0,2]=4 4 B9R1.1 CC1=CC=C(C#N)C=C1 035883 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.1 CC1=CC=C(C=O)C=C1 236923 [0,0,0,0,0,0|3,0,1]=4 6 B9R1.1 CC1=CC=C(CBr)C=C1 227793 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.1 CC1=CC=C(CCl)C=C1 088360 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.1 CC1=CC=C(CN)C=C1 078842 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.1 CC1=CC=C(CO)C=C1 216000 [0,0,0,0,0,0|3,0,0]=3 10 B9R1.1 CC1=CC=C(NN)C=C1 043499 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.1 CC1=CC=C(NN)C=C1 043656 [0,0,0,0,0,0|4,0,0]=4 12 B9R1.1 CC1=CN=C(C#N)C=C1 024687 [0,0,0,0,0,0|2,0,1]=3 13 B9R1.1 CC1=CN=C(C#N)C=N1 020122 [0,0,0,0,0,0|1,0,1]=2 14 B9R1.1 CC1=CN=C(CN)C=N1 009009 [0,0,0,0,0,0|1,0,0]=1 15 B9R1.1 CC1=NC=C(C#N)C=C1 003363 [0,0,0,0,0,0|2,0,1]=3 16 B9R1.1 CCC1=CC=C(Br)C=C1 001119 [0,0,0,0,0,0|3,0,0]=3 17 B9R1.1 CCC1=CC=C(C)C=C1 235264 [0,0,0,0,0,0|2,0,0]=2 18 B9R1.1 CCC1=CC=C(Cl)C=C1 001266 [0,0,0,0,0,0|3,0,0]=3 19 B9R1.1 CCC1=CC=C(F)C=C1 018681 [0,0,0,0,0,0|3,0,0]=3 20 B9R1.1 CCC1=CC=C(I)C=C1 006113 [0,0,0,0,0,0|3,0,0]=3 21 B9R1.1 CCC1=CC=C(N)C=C1 099641 [0,0,0,0,0,0|3,0,0]=3 22 B9R1.1 CCC1=CC=C(O)C=C1 241020 [0,0,0,0,0,0|3,0,0]=3 23 B9R1.1 CCC1=CC=[N+]([O-])C=C1 180055 [0,0,0,0,0,0|4,0,0]=4 24 B9R1.1 CCC1=CN=C(C)C=C1 222089 [0,0,0,0,0,0|1,0,0]=1 25 B9R1.1 CCC1=CN=C(Cl)N=C1 045001 [0,0,0,0,0,0|3,0,0]=3 26 B9R1.1 CCC1=NC=C(Br)C=C1 077907 [0,0,0,0,0,0|2,0,0]=2 27 B9R1.1 CCC1=NC=C(C)N=C1 225679 [0,0,0,0,0,0|0,0,0]=0 28 B9R1.1 CNC1=CC=C(Br)C=C1 009647 [0,0,0,0,0,0|4,0,0]=4 29 B9R1.1 CNC1=CC=C(C)C=C1 009655 [0,0,0,0,0,0|3,0,0]=3 30 B9R1.1 CNC1=CC=C(Cl)C=C1 009650 [0,0,0,0,0,0|4,0,0]=4 31 B9R1.1 CNC1=CC=C(Cl)N=N1 038616 [0,0,0,0,0,0|4,0,0]=4 32 B9R1.1 CNC1=CC=C(F)C=C1 009651 [0,0,0,0,0,0|4,0,0]=4 33 B9R1.1 CNC1=CC=C(O)C=C1 102940 [0,0,0,0,0,0|4,0,0]=4 34 B9R1.1 CNC1=NC=C(Br)C=C1 078710 [0,0,0,0,0,0|3,0,0]=3 35 B9R1.1 CNC1=NC=C(Br)C=N1 210036 [0,0,0,0,0,0|4,0,0]=4 36 B9R1.1 CNC1=NC=C(Cl)C=C1 075169 [0,0,0,0,0,0|3,0,0]=3 37 B9R1.1 COC1=CC=C(Br)C=C1 BR1023 [0,0,0,0,0,0|4,0,0]=4 38 B9R1.1 COC1=CC=C(C)C=C1 239388 [0,0,0,0,0,0|3,0,0]=3 39 B9R1.1 COC1=CC=C(Cl)C=C1 080276 [0,0,0,0,0,0|4,0,0]=4 40 B9R1.1 COC1=CC=C(Cl)N=N1 038611 [0,0,0,0,0,0|4,0,0]=4 41 B9R1.1 COC1=CC=C(F)C=C1 001698 [0,0,0,0,0,0|4,0,0]=4 42 B9R1.1 COC1=CC=C(I)C=C1 001304 [0,0,0,0,0,0|4,0,0]=4 43 B9R1.1 COC1=CC=C(N)C=C1 043321 [0,0,0,0,0,0|4,0,0]=4 44 B9R1.1 COC1=CC=C(O)C=C1 078679 [0,0,0,0,0,0|4,0,0]=4 45 B9R1.1 COC1=CC=C(S)C=C1 001774 [0,0,0,0,0,0|4,0,0]=4 46 B9R1.1 COC1=CN=C(Br)C=C1 076484 [0,0,0,0,0,0|3,0,0]=3 47 B9R1.1 COC1=CN=C(N)C=C1 036797 [0,0,0,0,0,0|3,0,0]=3 48 B9R1.1 COC1=NC=C(Br)C=C1 023910 [0,0,0,0,0,0|3,0,0]=3 49 B9R1.1 COC1=NC=C(Br)C=N1 016200 [0,0,0,0,0,0|4,0,0]=4 50 B9R1.1 COC1=NC=C(Cl)C=C1 035854 [0,0,0,0,0,0|3,0,0]=3 51 B9R1.1 COC1=NC=C(F)C=C1 033260 [0,0,0,0,0,0|3,0,0]=3 52 B9R1.1 COC1=NC=C(N)C=C1 024176 [0,0,0,0,0,0|3,0,0]=3 53 B9R1.1 COC1=NC=C(O)C=C1 076684 [0,0,0,0,0,0|3,0,0]=3 54 B9R1.1 COC1=NN=C(N)C=C1 036793 [0,0,0,0,0,0|4,0,0]=4 55 B9R1.1 CSC1=CC=C(Br)C=C1 003696 [0,0,0,0,0,0|4,0,0]=4 56 B9R1.1 CSC1=CC=C(C)C=C1 001781 [0,0,0,0,0,0|3,0,0]=3 57 B9R1.1 CSC1=CC=C(Cl)C=C1 002972 [0,0,0,0,0,0|4,0,0]=4 58 B9R1.1 CSC1=CC=C(F)C=C1 003730 [0,0,0,0,0,0|4,0,0]=4 59 B9R1.1 CSC1=CC=C(I)C=C1 008044 [0,0,0,0,0,0|4,0,0]=4 60 B9R1.1 CSC1=CC=C(N)C=C1 003091 [0,0,0,0,0,0|4,0,0]=4 61 B9R1.1 CSC1=CC=C(N)C=C1 104919 [0,0,0,0,0,0|4,0,0]=4 62 B9R1.1 CSC1=CC=C(O)C=C1 003883 [0,0,0,0,0,0|4,0,0]=4 63 B9R1.1 CSC1=NC=C(Br)C=N1 076456 [0,0,0,0,0,0|4,0,0]=4 64 B9R1.1 ClC1=CC=C(CBr)C=C1 118700 [0,0,0,0,0,0|4,0,0]=4 65 B9R1.1 ClCC1=CC=C(Br)C=C1 002483 [0,0,0,0,0,0|4,0,0]=4 66 B9R1.1 ClCC1=CC=C(Cl)C=C1 079221 [0,0,0,0,0,0|4,0,0]=4 67 B9R1.1 ClCC1=CN=C(Cl)C=C1 019460 [0,0,0,0,0,0|3,0,0]=3 68 B9R1.1 FC1=CC=C(CBr)C=C1 002963 [0,0,0,0,0,0|4,0,0]=4 69 B9R1.1 FC1=CC=C(CCl)C=C1 006201 [0,0,0,0,0,0|4,0,0]=4 70 B9R1.1 FC1=CC=C(CS)C=C1 006206 [0,0,0,0,0,0|4,0,0]=4 71 B9R1.1 N#CC1=CC=C(Br)C=N1 045207 [0,0,0,0,0,0|3,0,1]=4 72 B9R1.1 N#CC1=CC=C(Cl)N=C1 017413 [0,0,0,0,0,0|3,0,1]=4 73 B9R1.1 N#CC1=CN=C(Br)C=C1 037139 [0,0,0,0,0,0|3,0,1]=4 74 B9R1.1 N#CC1=CN=C(Br)C=N1 076065 [0,0,0,0,0,0|2,0,1]=3 75 B9R1.1 N#CC1=CN=C(F)C=C1 046506 [0,0,0,0,0,0|3,0,1]=4 76 B9R1.1 N#CC1=CN=C(N)C=C1 020194 [0,0,0,0,0,0|3,0,1]=4 77 B9R1.1 N#CC1=NC=C(F)C=C1 049469 [0,0,0,0,0,0|3,0,1]=4 78 B9R1.1 N#CC1=NC=C(N)C=C1 040038 [0,0,0,0,0,0|3,0,1]=4 79 B9R1.1 NC1=CC=C(CO)C=C1 092096 [0,0,0,0,0,0|4,0,0]=4 80 B9R1.1 NC1=CC=C(CO)C=N1 077326 [0,0,0,0,0,0|3,0,0]=3 81 B9R1.1 NC1=CC=C(CO)C=N1 104746 [0,0,0,0,0,0|3,0,0]=3 82 B9R1.1 NC1=NC=C(C=O)C=C1 241082 [0,0,0,0,0,0|3,0,1]=4 83 B9R1.1 NCC1=CC=C(Br)C=C1 042893 [0,0,0,0,0,0|4,0,0]=4 84 B9R1.1 NCC1=CC=C(Cl)C=C1 092218 [0,0,0,0,0,0|4,0,0]=4 85 B9R1.1 NCC1=CC=C(F)C=C1 006199 [0,0,0,0,0,0|4,0,0]=4 86 B9R1.1 NCC1=CC=C(O)C=C1 023452 [0,0,0,0,0,0|4,0,0]=4 87 B9R1.1 NCC1=CC=C(O)C=C1 047973 [0,0,0,0,0,0|4,0,0]=4 88 B9R1.1 NCC1=CN=C(Cl)C=C1 065444 [0,0,0,0,0,0|3,0,0]=3 89 B9R1.1 O=CC1=CN=C(Br)C=C1 040403 [0,0,0,0,0,0|3,0,1]=4 90 B9R1.1 O=CC1=CN=C(Cl)C=C1 036266 [0,0,0,0,0,0|3,0,1]=4 91 B9R1.1 O=CC1=NC=C(Br)C=C1 040402 [0,0,0,0,0,0|3,0,1]=4 92 B9R1.1 OCC1=CC=C(Br)C=C1 008822 [0,0,0,0,0,0|4,0,0]=4 93 B9R1.1 OCC1=CC=C(Cl)C=C1 008823 [0,0,0,0,0,0|4,0,0]=4 94 B9R1.1 OCC1=CC=C(F)C=C1 001624 [0,0,0,0,0,0|4,0,0]=4 95 B9R1.1 OCC1=CC=C(I)C=C1 093387 [0,0,0,0,0,0|4,0,0]=4 96 B9R1.1 OCC1=CC=C(O)C=C1 078884 [0,0,0,0,0,0|4,0,0]=4 97 B9R1.1 OCC1=CN=C(Cl)C=C1 067692 [0,0,0,0,0,0|3,0,0]=3 98 B9R1.1 OCC1=NC=C(Br)C=C1 036351 [0,0,0,0,0,0|3,0,0]=3 99 B9R1.1 SCC1=CC=C(Br)C=C1 024343 [0,0,0,0,0,0|4,0,0]=4 100 B9R1.1 SCC1=CC=C(Cl)C=C1 545320 [0,0,0,0,0,0|4,0,0]=4 101 B8R1.2 BrCC1=CC=CC=C1 003666 [1,0,0,0,0,0|3,0,0]=4 102 B8R1.2 BrCC1=CC=CN=C1 214585 [1,0,0,0,0,0|2,0,0]=3 103 B8R1.2 BrCC1=NC=CC=C1 067831 [1,0,0,0,0,0|2,0,0]=3 104 B8R1.2 BrCC1=NC=NC=C1 231198 [1,0,0,0,0,0|3,0,0]=4 105 B8R1.2 C#CC1=CC=CN=C1 080053 [1,0,0,0,0,0|1,0,2]=4 106 B8R1.2 C#CC1=NC=CC=C1 078381 [1,0,0,0,0,0|1,0,2]=4 107 B8R1.2 CCC1=CC=CC=C1 094632 [1,0,0,0,0,0|2,0,0]=3 108 B8R1.2 CCC1=CC=CC=N1 098941 [1,0,0,0,0,0|1,0,0]=2 109 B8R1.2 CCC1=CC=CN=C1 242838 [1,0,0,0,0,0|1,0,0]=2 110 B8R1.2 CCC1=CC=NC=C1 319885 [1,0,0,0,0,0|3,0,0]=4 111 B8R1.2 CCC1=NC=CN=C1 002727 [1,0,0,0,0,0|0,0,0]=1 112 B8R1.2 CC[N+]1=CC=CC=C1 046807 [1,0,0,0,0,0|3,0,0]=4 113 B8R1.2 CNC1=CC=CC=C1 094625 [1,0,0,0,0,0|3,0,0]=4 114 B8R1.2 CNC1=CC=CN=C1 079398 [1,0,0,0,0,0|2,0,0]=3 115 B8R1.2 CNC1=NC=CC=C1 233304 [1,0,0,0,0,0|2,0,0]=3 116 B8R1.2 COC1=CC=CC=C1 M03556 [1,0,0,0,0,0|3,0,0]=4 117 B8R1.2 COC1=CC=CN=C1 079847 [1,0,0,0,0,0|2,0,0]=3 118 B8R1.2 COC1=NC=CC=C1 045214 [1,0,0,0,0,0|2,0,0]=3 119 B8R1.2 COC1=NC=CN=C1 002749 [1,0,0,0,0,0|1,0,0]=2 120 B8R1.2 CSC1=CC=CC=C1 002945 [1,0,0,0,0,0|3,0,0]=4 121 B8R1.2 CSC1=NC=CN=C1 009618 [1,0,0,0,0,0|1,0,0]=2 122 B8R1.2 ClCC1=CC=CC=C1 106800 [1,0,0,0,0,0|3,0,0]=4 123 B8R1.2 ClCC1=CC=CC=N1 026180 [1,0,0,0,0,0|2,0,0]=3 124 B8R1.2 ClCC1=CC=CN=C1 043884 [1,0,0,0,0,0|2,0,0]=3 125 B8R1.2 ClCC1=NC=CC=N1 038565 [1,0,0,0,0,0|3,0,0]=4 126 B8R1.2 ClCC1=NC=CC=N1 077592 [1,0,0,0,0,0|3,0,0]=4 127 B8R1.2 N#CC1=CN=CC=C1 234028 [1,0,0,0,0,0|2,0,1]=4 128 B8R1.2 N#CC1=NC=CC=C1 050348 [1,0,0,0,0,0|2,0,1]=4 129 B8R1.2 N#CC1=NC=CN=C1 002755 [1,0,0,0,0,0|1,0,1]=3 130 B8R1.2 NCC1=CC=CC=C1 098408 [1,0,0,0,0,0|3,0,0]=4 131 B8R1.2 NCC1=CC=CC=C1 241882 [1,0,0,0,0,0|3,0,0]=4 132 B8R1.2 NCC1=CC=CN=C1 078185 [1,0,0,0,0,0|2,0,0]=3 133 B8R1.2 NCC1=CN=CC=N1 043597 [1,0,0,0,0,0|1,0,0]=2 134 B8R1.2 NCC1=NC=CC=C1 009750 [1,0,0,0,0,0|2,0,0]=3 135 B8R1.2 NNC1=CN=CC=C1 044299 [1,0,0,0,0,0|3,0,0]=4 136 B8R1.2 NNC1=NC=CC=C1 093675 [1,0,0,0,0,0|3,0,0]=4 137 B8R1.2 O=CC1=CC=CN=C1 065202 [1,0,0,0,0,0|2,0,1]=4 138 B8R1.2 O=CC1=NC=CC=C1 065201 [1,0,0,0,0,0|2,0,1]=4 139 B8R1.2 OCC1=CC=CC=C1 094986 [1,0,0,0,0,0|3,0,0]=4 140 B8R1.2 OCC1=CC=CC=C1 105725 [1,0,0,0,0,0|3,0,0]=4 141 B8R1.2 OCC1=CC=CN=C1 208628 [1,0,0,0,0,0|2,0,0]=3 142 B8R1.2 OCC1=CC=CN=N1 045003 [1,0,0,0,0,0|3,0,0]=4 143 B8R1.2 OCC1=NC=CC=C1 043374 [1,0,0,0,0,0|2,0,0]=3 144 B8R1.2 OCC1=NC=CC=N1 067743 [1,0,0,0,0,0|3,0,0]=4 145 B8R1.2 SCC1=CC=CC=C1 098994 [1,0,0,0,0,0|3,0,0]=4 146 B8R1.2 [O-]CC1=CC=CC=C1 105697 [1,0,0,0,0,0|3,0,0]=4 147 B8R1.3 BrC1=CN=C(Br)C=C1 019467 [1,0,0,0,0,0|3,0,0]=4 148 B8R1.3 BrC1=CN=C(Br)C=N1 067412 [1,0,0,0,0,0|2,0,0]=3 149 B8R1.3 BrC1=CN=C(I)C=C1 023885 [1,0,0,0,0,0|3,0,0]=4 150 B8R1.3 BrC1=NC=C(I)C=C1 037034 [1,0,0,0,0,0|3,0,0]=4 151 B8R1.3 CC1=CC=C(Br)C=C1 001435 [1,0,0,0,0,0|3,0,0]=4 152 B8R1.3 CC1=CC=C(C)C=C1 098352 [1,0,0,0,0,0|2,0,0]=3 153 B8R1.3 CC1=CC=C(Cl)C=C1 099073 [1,0,0,0,0,0|3,0,0]=4 154 B8R1.3 CC1=CC=C(Cl)N=C1 049167 [1,0,0,0,0,0|2,0,0]=3 155 B8R1.3 CC1=CC=C(Cl)N=N1 067463 [1,0,0,0,0,0|3,0,0]=4 156 B8R1.3 CC1=CC=C(F)C=C1 001443 [1,0,0,0,0,0|3,0,0]=4 157 B8R1.3 CC1=CC=C(F)C=N1 035867 [1,0,0,0,0,0|2,0,0]=3 158 B8R1.3 CC1=CC=C(I)C=C1 001201 [1,0,0,0,0,0|3,0,0]=4 159 B8R1.3 CC1=CC=C(N)C=C1 080317 [1,0,0,0,0,0|3,0,0]=4 160 B8R1.3 CC1=CC=C(N)C=N1 012721 [1,0,0,0,0,0|2,0,0]=3 161 B8R1.3 CC1=CC=C(O)C=C1 240310 [1,0,0,0,0,0|3,0,0]=4 162 B8R1.3 CC1=CC=C(S)C=C1 019192 [1,0,0,0,0,0|3,0,0]=4 163 B8R1.3 CC1=CN=C(Br)C=C1 024508 [1,0,0,0,0,0|2,0,0]=3 164 B8R1.3 CC1=CN=C(C)C=N1 002729 [1,0,0,0,0,0|0,0,0]=1 165 B8R1.3 CC1=CN=C(Cl)N=C1 076041 [1,0,0,0,0,0|3,0,0]=4 166 B8R1.3 CC1=CN=C(F)C=C1 008920 [1,0,0,0,0,0|2,0,0]=3 167 B8R1.3 CC1=CN=C(N)C=C1 003527 [1,0,0,0,0,0|2,0,0]=3 168 B8R1.3 CC1=CN=C(N)C=N1 064501 [1,0,0,0,0,0|1,0,0]=2 169 B8R1.3 CC1=CN=C(O)C=C1 037381 [1,0,0,0,0,0|2,0,0]=3 170 B8R1.3 CC1=CNC(=O)C=C1 318707 [1,0,0,0,0,0|2,0,1]=4 171 B8R1.3 CC1=NC=C(Br)C=C1 033262 [1,0,0,0,0,0|2,0,0]=3 172 B8R1.3 CC1=NC=C(Br)C=N1 076444 [1,0,0,0,0,0|3,0,0]=4 173 B8R1.3 CC1=NC=C(Cl)C=C1 221445 [1,0,0,0,0,0|2,0,0]=3 174 B8R1.3 CC1=NC=C(O)C=C1 076959 [1,0,0,0,0,0|2,0,0]=3 175 B8R1.3 CC1=NNC(=O)C=C1 077719 [1,0,0,0,0,0|3,0,0]=4 176 B8R1.3 ClC1=CC=C(I)C=N1 046448 [1,0,0,0,0,0|3,0,0]=4 177 B8R1.3 ClC1=CN=C(Br)C=C1 012730 [1,0,0,0,0,0|3,0,0]=4 178 B8R1.3 ClC1=CN=C(Br)C=N1 077094 [1,0,0,0,0,0|2,0,0]=3 179 B8R1.3 ClC1=CN=C(Cl)C=C1 045174 [1,0,0,0,0,0|3,0,0]=4 180 B8R1.3 ClC1=NC=C(Br)C=C1 024509 [1,0,0,0,0,0|3,0,0]=4 181 B8R1.3 FC1=CC=C(Br)C=N1 045231 [1,0,0,0,0,0|3,0,0]=4 182 B8R1.3 FC1=CN=C(Br)C=C1 024928 [1,0,0,0,0,0|3,0,0]=4 183 B8R1.3 FC1=CN=C(F)C=C1 036113 [1,0,0,0,0,0|3,0,0]=4 184 B8R1.3 FC1=NC=C(I)C=C1 036309 [1,0,0,0,0,0|3,0,0]=4 185 B8R1.3 NC1=CC=C(Br)N=C1 035207 [1,0,0,0,0,0|3,0,0]=4 186 B8R1.3 NC1=CC=C(F)N=C1 035844 [1,0,0,0,0,0|3,0,0]=4 187 B8R1.3 NC1=CC=C(O)N=C1 049670 [1,0,0,0,0,0|3,0,0]=4 188 B8R1.3 NC1=CN=C(Cl)C=C1 010694 [1,0,0,0,0,0|3,0,0]=4 189 B8R1.3 NC1=CN=C(O)C=C1 040143 [1,0,0,0,0,0|3,0,0]=4 190 B8R1.3 NC1=NC=C(Br)C=C1 003417 [1,0,0,0,0,0|3,0,0]=4 191 B8R1.3 NC1=NC=C(Br)N=C1 036703 [1,0,0,0,0,0|2,0,0]=3 192 B8R1.3 NC1=NC=C(Cl)C=C1 010691 [1,0,0,0,0,0|3,0,0]=4 193 B8R1.3 NC1=NC=C(F)C=C1 005231 [1,0,0,0,0,0|3,0,0]=4 194 B8R1.3 NC1=NC=C(I)C=C1 005457 [1,0,0,0,0,0|3,0,0]=4 195 B8R1.3 NC1=NC=C(I)N=C1 076106 [1,0,0,0,0,0|2,0,0]=3 196 B8R1.3 NC1=NC=C(O)C=C1 077000 [1,0,0,0,0,0|3,0,0]=4 197 B8R1.3 OC1=CC=C(Br)C=N1 035853 [1,0,0,0,0,0|3,0,0]=4 198 B8R1.3 OC1=CC=C(F)C=N1 036288 [1,0,0,0,0,0|3,0,0]=4 199 B8R1.3 OC1=CC=C(F)N=C1 036275 [1,0,0,0,0,0|3,0,0]=4 200 B8R1.3 OC1=CN=C(Br)C=C1 037033 [1,0,0,0,0,0|3,0,0]=4 201 B8R1.3 OC1=CN=C(Cl)C=C1 024512 [1,0,0,0,0,0|3,0,0]=4 202 B8R1.3 OC1=NC=C(Br)N=C1 046364 [1,0,0,0,0,0|2,0,0]=3 203 B8R1.3 OC1=NC=C(Cl)C=C1 067320 [1,0,0,0,0,0|3,0,0]=4 204 B8R1.3 OC1=NC=C(Cl)N=C1 076747 [1,0,0,0,0,0|2,0,0]=3 205 B8R1.3 OC1=NC=C(I)C=C1 067337 [1,0,0,0,0,0|3,0,0]=4 206 B10R1.1 CC1=CC=C(CC#N)C=C1 078705 [0,1,0,0,0,0|2,0,1]=4 207 B10R1.1 CC1=CC=C(CCN)C=C1 018851 [0,1,0,0,0,0|2,0,0]=3 208 B10R1.1 CC1=CC=C(CCO)C=C1 216320 [0,1,0,0,0,0|2,0,0]=3 209 B10R1.1 CCCC1=CC=C(Cl)C=C1 018453 [0,1,0,0,0,0|3,0,0]=4 210 B10R1.1 CCCC1=CC=C(O)C=C1 068339 [0,1,0,0,0,0|3,0,0]=4 211 B10R1.1 CCOC1=CC=C(Br)C=C1 024186 [0,1,0,0,0,0|3,0,0]=4 212 B10R1.1 CCOC1=CC=C(F)C=C1 006317 [0,1,0,0,0,0|3,0,0]=4 213 B10R1.1 CCOC1=CC=C(I)C=C1 038701 [0,1,0,0,0,0|3,0,0]=4 214 B10R1.1 CCOC1=CC=C(N)C=C1 230478 [0,1,0,0,0,0|3,0,0]=4 215 B10R1.1 CCOC1=CC=C(O)C=C1 049967 [0,1,0,0,0,0|3,0,0]=4 216 B10R1.1 CCOC1=NC=C(I)C=C1 363566 [0,1,0,0,0,0|2,0,0]=3 217 B10R1.1 CCSC1=CC=C(C)C=C1 094757 [0,1,0,0,0,0|2,0,0]=3 218 B10R1.1 CCSC1=CC=C(Cl)C=C1 094917 [0,1,0,0,0,0|3,0,0]=4 219 B10R1.1 CCSC1=CC=C(F)C=C1 094569 [0,1,0,0,0,0|3,0,0]=4 220 B10R1.1 CNCC1=CC=C(Br)C=C1 076658 [0,1,0,0,0,0|3,0,0]=4 221 B10R1.1 CNCC1=CC=C(C)C=C1 078911 [0,1,0,0,0,0|2,0,0]=3 222 B10R1.1 CNCC1=CC=C(F)C=C1 040105 [0,1,0,0,0,0|3,0,0]=4 223 B10R1.1 COCC1=CC=C(Br)C=C1 325028 [0,1,0,0,0,0|3,0,0]=4 224 B10R1.1 ClC1=CC=C(CCBr)C=C1 020895 [0,1,0,0,0,0|3,0,0]=4 225 B10R1.1 FC1=CC=C(CCBr)C=C1 020897 [0,1,0,0,0,0|3,0,0]=4 226 B10R1.1 FC1=CC=C(CCCl)C=C1 010403 [0,1,0,0,0,0|3,0,0]=4 227 B10R1.1 N#CCC1=CN=C(Cl)C=C1 033117 [0,1,0,0,0,0|2,0,1]=4 228 B10R1.1 N#CCC1=NC=C(Br)C=C1 077874 [0,1,0,0,0,0|2,0,1]=4 229 B10R1.1 NC1=CC=C(CCO)C=C1 005442 [0,1,0,0,0,0|3,0,0]=4 230 B10R1.1 NCCC1=CC=C(Br)C=C1 013456 [0,1,0,0,0,0|3,0,0]=4 231 B10R1.1 NCCC1=CC=C(Br)C=C1 018305 [0,1,0,0,0,0|3,0,0]=4 232 B10R1.1 NCCC1=CC=C(Cl)C=C1 008894 [0,1,0,0,0,0|3,0,0]=4 233 B10R1.1 NCCC1=CC=C(F)C=C1 040108 [0,1,0,0,0,0|3,0,0]=4 234 B10R1.1 NCCC1=CC=C(F)C=C1 240692 [0,1,0,0,0,0|3,0,0]=4 235 B10R1.1 NCCC1=CC=C(N)C=C1 040089 [0,1,0,0,0,0|3,0,0]=4 236 B10R1.1 NCCC1=CC=C(O)C=C1 078887 [0,1,0,0,0,0|3,0,0]=4 237 B10R1.1 NCCC1=CC=C(O)C=C1 241212 [0,1,0,0,0,0|3,0,0]=4 238 B10R1.1 OCCC1=CC=C(Br)C=C1 040529 [0,1,0,0,0,0|3,0,0]=4 239 B10R1.1 OCCC1=CC=C(Cl)C=C1 209207 [0,1,0,0,0,0|3,0,0]=4 240 B10R1.1 OCCC1=CC=C(F)C=C1 006315 [0,1,0,0,0,0|3,0,0]=4 241 B10R1.1 OCCC1=CC=C(I)C=C1 078447 [0,1,0,0,0,0|3,0,0]=4 242 B10R1.1 OCCC1=CC=C(O)C=C1 077935 [0,1,0,0,0,0|3,0,0]=4 243 B10R1.3 BrCC1=CC=C(CBr)C=C1 041016 [0,1,0,0,0,0|3,0,0]=4 244 B10R1.3 C#CC1=CC=C(CC)C=C1 078540 [0,1,0,0,0,0|2,0,1]=4 245 B10R1.3 CCC1=CC=C(C=O)C=C1 045132 [0,1,0,0,0,0|2,0,1]=4 246 B10R1.3 CCC1=CC=C(CCl)C=C1 018680 [0,1,0,0,0,0|2,0,0]=3 247 B10R1.3 CCC1=CC=C(CO)C=C1 237130 [0,1,0,0,0,0|2,0,0]=3 248 B10R1.3 CCC1=CC=C(NN)C=C1 023498 [0,1,0,0,0,0|3,0,0]=4 249 B10R1.3 CCC1=CC=C(OC)C=C1 235779 [0,1,0,0,0,0|2,0,0]=3 250 B10R1.3 CCC1=CC=C(SC)C=C1 019350 [0,1,0,0,0,0|2,0,0]=3 251 B10R1.3 CNC1=CC=C(OC)C=C1 009653 [0,1,0,0,0,0|3,0,0]=4 252 B10R1.3 COC1=CC=C(C#N)C=N1 017226 [0,1,0,0,0,0|2,0,1]=4 253 B10R1.3 COC1=CC=C(C=O)C=N1 040097 [0,1,0,0,0,0|2,0,1]=4 254 B10R1.3 COC1=CC=C(CBr)C=C1 067817 [0,1,0,0,0,0|3,0,0]=4 255 B10R1.3 COC1=CC=C(CN)C=C1 008876 [0,1,0,0,0,0|3,0,0]=4 256 B10R1.3 COC1=CC=C(CO)C=C1 094474 [0,1,0,0,0,0|3,0,0]=4 257 B10R1.3 COC1=CC=C(CS)C=C1 050468 [0,1,0,0,0,0|3,0,0]=4 258 B10R1.3 COC1=CC=C(OC)C=C1 044664 [0,1,0,0,0,0|3,0,0]=4 259 B10R1.3 COC1=CC=C(SC)C=C1 003888 [0,1,0,0,0,0|3,0,0]=4 260 B10R1.3 COC1=NN=C(OC)C=C1 338143 [0,1,0,0,0,0|3,0,0]=4 261 B10R1.3 CSC1=CC=C(CCl)C=C1 018873 [0,1,0,0,0,0|3,0,0]=4 262 B10R1.3 CSC1=CC=C(CN)C=C1 009292 [0,1,0,0,0,0|3,0,0]=4 263 B10R1.3 CSC1=CC=C(CO)C=C1 103356 [0,1,0,0,0,0|3,0,0]=4 264 B10R1.3 ClCC1=CC=C(CCl)C=C1 099057 [0,1,0,0,0,0|3,0,0]=4 265 B10R1.3 NCC1=CC=C(CO)C=C1 036740 [0,1,0,0,0,0|3,0,0]=4 266 B10R1.3 OCC1=CC=C(CO)C=C1 225421 [0,1,0,0,0,0|3,0,0]=4 267 B10R1.13 CC(=O)C1=CC=C(Br)N=C1 068433 [0,1,0,0,0,0|2,0,1]=4 268 B10R1.13 CC(=O)C1=CC=C(C)C=C1 075950 [0,1,0,0,0,0|2,0,1]=4 269 B10R1.13 CC(=O)C1=CC=C(C)N=C1 024495 [0,1,0,0,0,0|1,0,1]=3 270 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 046158 [0,1,0,0,0,0|2,0,1]=4 271 B10R1.13 CC(=O)C1=NC=C(Cl)N=C1 209205 [0,1,0,0,0,0|1,0,1]=3 272 B10R1.13 CC(=O)C1=NC=C(O)C=C1 242217 [0,1,0,0,0,0|2,0,1]=4 273 B10R1.13 CC(C)C1=CC=C(Br)C=C1 005332 [0,1,0,0,0,0|3,0,0]=4 274 B10R1.13 CC(C)C1=CC=C(I)C=C1 037613 [0,1,0,0,0,0|3,0,0]=4 275 B10R1.13 CC(C)C1=CC=C(N)C=C1 044718 [0,1,0,0,0,0|3,0,0]=4 276 B10R1.13 CC(C)C1=CC=C(N)C=N1 064855 [0,1,0,0,0,0|2,0,0]=3 277 B10R1.13 CC(C)C1=CC=C(O)C=C1 224632 [0,1,0,0,0,0|3,0,0]=4 278 B10R1.13 CC(C)C1=CC=C(S)C=C1 350400 [0,1,0,0,0,0|3,0,0]=4 279 B10R1.13 CC(C)C1=CN=C(N)C=C1 091535 [0,1,0,0,0,0|2,0,0]=3 280 B10R1.13 CC(N)C1=CC=C(Br)C=C1 001101 [0,1,0,0,0,0|3,0,0]=4 281 B10R1.13 CC(N)C1=CC=C(Cl)C=C1 065422 [0,1,0,0,0,0|3,0,0]=4 282 B10R1.13 CC(O)C1=CC=C(Br)C=C1 001129 [0,1,0,0,0,0|3,0,0]=4 283 B10R1.13 CC(O)C1=CC=C(Cl)C=C1 002971 [0,1,0,0,0,0|3,0,0]=4 284 B10R1.13 CC(O)C1=CC=C(F)C=C1 001295 [0,1,0,0,0,0|3,0,0]=4 285 B10R1.13 CC1=CC=C(C(=O)O)C=N1 043432 [0,1,0,0,0,0|2,0,1]=4 286 B10R1.13 CC1=CC=C(C(C)C)C=C1 048590 [0,1,0,0,0,0|2,0,0]=3 287 B10R1.13 CC1=CC=C(C(C)C)CC1 099689 [0,1,0,0,0,0|2,0,1]=4 288 B10R1.13 CC1=CC=C(C(C)N)C=C1 075281 [0,1,0,0,0,0|2,0,0]=3 289 B10R1.13 CC1=CC=C(C(C)O)C=C1 494146 [0,1,0,0,0,0|2,0,0]=3 290 B10R1.13 CC1=CC=C(C(C)O)C=N1 024704 [0,1,0,0,0,0|1,0,0]=2 291 B10R1.13 CC1=CC=C(N(C)C)C=C1 013933 [0,1,0,0,0,0|3,0,0]=4 292 B10R1.13 CC1=CN=C(C(=O)O)C=N1 019499 [0,1,0,0,0,0|1,0,1]=3 293 B10R1.13 CC1=CN=C(C(N)=O)C=N1 020121 [0,1,0,0,0,0|1,0,1]=3 294 B10R1.13 CC1=CN=C(N(C)C)C=C1 024710 [0,1,0,0,0,0|2,0,0]=3 295 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 050269 [0,1,0,0,0,0|3,0,0]=4 296 B10R1.13 FC(F)C1=CN=C(Br)C=C1 050313 [0,1,0,0,0,0|3,0,0]=4 297 B10R1.13 FC(F)C1=CN=C(Cl)C=C1 099967 [0,1,0,0,0,0|3,0,0]=4 298 B10R1.13 FC(F)C1=NC=C(Br)C=C1 229644 [0,1,0,0,0,0|3,0,0]=4 299 B10R1.13 NC1=NC=C(C(=O)O)N=C1 076096 [0,1,0,0,0,0|2,0,1]=4 300 B10R1.13 NC1=NC=C(C(=O)O)N=C1 104630 [0,1,0,0,0,0|2,0,1]=4 301 B10R1.13 O=C(O)C1=CN=C(O)C=N1 037360 [0,1,0,0,0,0|2,0,1]=4 302 B10R1.13 O=C(O)C1=NC=C(Br)N=C1 076094 [0,1,0,0,0,0|2,0,1]=4 303 B10R1.13 O=C(O)C1=NC=C(Cl)N=C1 049782 [0,1,0,0,0,0|2,0,1]=4 304 B10R1.25 CC1=CC(F)=C(CN)C=C1 342555 [0,1,0,0,0,0|3,0,0]=4 305 B10R1.25 CC1=CC=C(C#N)C(Cl)=N1 068525 [0,1,0,0,0,0|2,0,1]=4 306 B10R1.25 CC1=CC=C(CN)C(C)=C1 018614 [0,1,0,0,0,0|3,0,0]=4 307 B10R1.25 CCC1=C(C)C=C(C)C=N1 450509 [0,1,0,0,0,0|1,0,0]=2 308 B10R1.25 CCC1=C(Cl)C=C(Cl)C=C1 105745 [0,1,0,0,0,0|3,0,0]=4 309 B10R1.25 CCC1=C(N)N=C(C)C=C1 430516 [0,1,0,0,0,0|1,0,0]=2 310 B10R1.25 CCC1=CN=C(Cl)N=C1Cl 222483 [0,1,0,0,0,0|3,0,0]=4 311 B10R1.25 COC1=C(I)C=C(C)C=C1 148600 [0,1,0,0,0,0|3,0,0]=4 312 B10R1.25 COC1=C(O)C=C(C)C=C1 009947 [0,1,0,0,0,0|3,0,0]=4 313 B10R1.25 COC1=C(S)C=C(C)C=C1 038021 [0,1,0,0,0,0|3,0,0]=4 314 B10R1.25 COC1=CC=C(C)C=C1Br 018292 [0,1,0,0,0,0|3,0,0]=4 315 B10R1.25 COC1=CC=C(C)C=C1Cl 018390 [0,1,0,0,0,0|3,0,0]=4 316 B10R1.25 COC1=CC=C(C)C=C1N 043367 [0,1,0,0,0,0|3,0,0]=4 317 B10R1.25 COC1=NC=C(Br)C=C1C 067300 [0,1,0,0,0,0|3,0,0]=4 318 B10R1.25 COC1=NC=C(Cl)C=C1Br 036166 [0,1,0,0,0,0|3,0,0]=4 319 B10R1.25 COC1=NC=C(N)C=C1Br 036163 [0,1,0,0,0,0|3,0,0]=4 320 B10R1.25 CSC1=C(C)C=C(C)C=C1 019336 [0,1,0,0,0,0|3,0,0]=4 321 B10R1.25 N#CC1=NC=C(Cl)N=C1Cl 077514 [0,1,0,0,0,0|2,0,1]=4 322 B10R1.176 CC1=C(Cl)C=C(CN)C=C1 065393 [0,1,0,0,0,0|3,0,0]=4 323 B10R1.176 CC1=C(F)C=C(CBr)C=C1 005799 [0,1,0,0,0,0|3,0,0]=4 324 B10R1.176 CC1=C(F)C=C(CN)C=C1 005796 [0,1,0,0,0,0|3,0,0]=4 325 B10R1.176 CC1=CC=C(CCl)C=C1C 018620 [0,1,0,0,0,0|3,0,0]=4 326 B10R1.176 CC1=CC=C(CN)C=C1C 018617 [0,1,0,0,0,0|3,0,0]=4 327 B10R1.176 CC1=CC=C(CO)C=C1C 237644 [0,1,0,0,0,0|3,0,0]=4 328 B10R1.176 CCC1=CC(Br)=C(Br)C=C1 037708 [0,1,0,0,0,0|3,0,0]=4 329 B10R1.176 CCC1=CC(Br)=C(Cl)C=C1 037705 [0,1,0,0,0,0|3,0,0]=4 330 B10R1.176 CCC1=CC(Br)=C(F)C=C1 037706 [0,1,0,0,0,0|3,0,0]=4 331 B10R1.176 CCC1=CC(Br)=C(I)C=C1 037707 [0,1,0,0,0,0|3,0,0]=4 332 B10R1.176 CCC1=CC(N)=C(O)C=C1 311903 [0,1,0,0,0,0|3,0,0]=4 333 B10R1.176 CCC1=CC=C(N)C(Br)=C1 037704 [0,1,0,0,0,0|3,0,0]=4 334 B10R1.176 CCC1=CC=C(O)C(Br)=C1 467266 [0,1,0,0,0,0|3,0,0]=4 335 B10R1.176 COC1=CC(Br)=C(C)C=C1 038675 [0,1,0,0,0,0|3,0,0]=4 336 B10R1.176 COC1=CC(C)=C(C)C=C1 049843 [0,1,0,0,0,0|3,0,0]=4 337 B10R1.176 COC1=CC=C(C)C(N)=C1 077941 [0,1,0,0,0,0|3,0,0]=4 338 B10R1.176 COC1=NC(C)=C(Br)C=C1 036180 [0,1,0,0,0,0|3,0,0]=4 339 B10R1.176 COC1=NC=C(N)C(C)=C1 036182 [0,1,0,0,0,0|3,0,0]=4 340 B10R1.176 CSC1=CC(C)=C(C)C=C1 019339 [0,1,0,0,0,0|3,0,0]=4 341 B10R1.176 OCC1=CC(Cl)=C(Cl)N=C1 067706 [0,1,0,0,0,0|3,0,0]=4 342 B10R2.31 BrC1=CC=C2CCC2=C1 079227 [0,0,0,1,0,0|3,0,0]=4 343 B8R1.1 CC1=CC(CN)=NO1 094980 [0,0,0,0,1,0|2,0,0]=3 344 B8R1.1 CC1=CC(CN)=NO1 358781 [0,0,0,0,1,0|2,0,0]=3 345 B8R1.1 CC1=CC(CO)=NO1 017477 [0,0,0,0,1,0|2,0,0]=3 346 B8R1.1 CC1=CC=C(CN)O1 225706 [0,0,0,0,1,0|3,0,0]=4 347 B8R1.1 CC1=CC=C(CO)O1 013649 [0,0,0,0,1,0|3,0,0]=4 348 B8R1.1 CC1=CC=C(CO)S1 362444 [0,0,0,0,1,0|3,0,0]=4 349 B8R1.1 CC1=CSC(C#N)=C1 023897 [0,0,0,0,1,0|2,0,1]=4 350 B8R1.1 CC1=CSC(C=O)=N1 065270 [0,0,0,0,1,0|2,0,1]=4 351 B8R1.1 CC1=CSC(CN)=C1 023898 [0,0,0,0,1,0|2,0,0]=3 352 B8R1.1 CC1=NC(C#N)=CS1 017216 [0,0,0,0,1,0|2,0,1]=4 353 B8R1.1 CC1=NC(CCl)=CS1 016133 [0,0,0,0,1,0|2,0,0]=3 354 B8R1.1 CC1=NNC(CN)=C1 058640 [0,0,0,0,1,0|2,0,0]=3 355 B8R1.1 CC1=NOC(CCl)=N1 219873 [0,0,0,0,1,0|2,0,0]=3 356 B8R1.1 CCC1=NC=C(C)N1 403581 [0,0,0,0,1,0|0,0,1]=2 357 B8R1.1 CCC1=NN=C(N)O1 009901 [0,0,0,0,1,0|3,0,0]=4 358 B8R1.1 CCC1=NSC(N)=N1 009733 [0,0,0,0,1,0|2,0,0]=3 359 B8R1.1 CCN1C=C[N+](C)=C1 245878 [0,0,0,0,1,0|3,0,0]=4 360 B8R1.1 CN1C=C(C=O)C=N1 014499 [0,0,0,0,1,0|2,0,1]=4 361 B8R1.1 CN1C=C(CN)C=N1 030587 [0,0,0,0,1,0|2,0,0]=3 362 B8R1.1 CN1C=CC(CN)=N1 030355 [0,0,0,0,1,0|3,0,0]=4 363 B8R1.1 COC1=NC(N)=NS1 009730 [0,0,0,0,1,0|3,0,0]=4 364 B8R1.1 COC1=NSC(N)=N1 009665 [0,0,0,0,1,0|3,0,0]=4 365 B8R1.1 CSC1=NC(Br)=NS1 024023 [0,0,0,0,1,0|3,0,0]=4 366 B8R1.1 CSC1=NC(Cl)=NS1 024022 [0,0,0,0,1,0|3,0,0]=4 367 B8R1.1 CSC1=NC(N)=NN1 030116 [0,0,0,0,1,0|3,0,0]=4 368 B8R1.1 CSC1=NC(N)=NS1 009668 [0,0,0,0,1,0|3,0,0]=4 369 B8R1.1 CSC1=NC(O)=NS1 005951 [0,0,0,0,1,0|3,0,0]=4 370 B8R1.1 ClCC1=CN=C(Cl)S1 016115 [0,0,0,0,1,0|3,0,0]=4 371 B8R1.1 NCC1=CC(Br)=CS1 091824 [0,0,0,0,1,0|3,0,0]=4 372 B8R1.1 OCC1=CN=C(Br)S1 079893 [0,0,0,0,1,0|3,0,0]=4 373 B7R0.1 CC\C=C\C=C\C=O 242611 [1,0,1,0,0,0|2,0,0]=4 374 B7R1.3 BrC1=CC=CN=C1 008797 [2,0,0,0,0,0|2,0,0]=4 375 B7R1.3 BrC1=CN=CC=N1 049757 [2,0,0,0,0,0|1,0,0]=3 376 B7R1.3 BrC1=NC=CC=C1 036222 [2,0,0,0,0,0|2,0,0]=4 377 B7R1.3 CC1=CC=CC=C1 035922 [2,0,0,0,0,0|2,0,0]=4 378 B7R1.3 CC1=CC=CC=C1 046885 [2,0,0,0,0,0|2,0,0]=4 379 B7R1.3 CC1=CC=CC=C1 099899 [2,0,0,0,0,0|2,0,0]=4 380 B7R1.3 CC1=CC=CC=C1 102149 [2,0,0,0,0,0|2,0,0]=4 381 B7R1.3 CC1=CC=CN=C1 235657 [2,0,0,0,0,0|1,0,0]=3 382 B7R1.3 CC1=CC=CN=N1 236526 [2,0,0,0,0,0|2,0,0]=4 383 B7R1.3 CC1=CN=CN=C1 040003 [2,0,0,0,0,0|2,0,0]=4 384 B7R1.3 CC1=NC=CC=C1 235658 [2,0,0,0,0,0|1,0,0]=3 385 B7R1.3 CC1=NC=CN=C1 002726 [2,0,0,0,0,0|0,0,0]=2 386 B7R1.3 CC1=NC=NC=C1 045243 [2,0,0,0,0,0|2,0,0]=4 387 B7R1.3 ClC1=CC=CN=C1 045189 [2,0,0,0,0,0|2,0,0]=4 388 B7R1.3 ClC1=NC=CC=C1 044502 [2,0,0,0,0,0|2,0,0]=4 389 B7R1.3 ClC1=NC=CN=C1 002754 [2,0,0,0,0,0|1,0,0]=3 390 B7R1.3 FC1=CC=CN=C1 001298 [2,0,0,0,0,0|2,0,0]=4 391 B7R1.3 FC1=CN=CC=N1 050271 [2,0,0,0,0,0|1,0,0]=3 392 B7R1.3 FC1=NC=CC=C1 001297 [2,0,0,0,0,0|2,0,0]=4 393 B7R1.3 IC1=CC=CN=C1 008065 [2,0,0,0,0,0|2,0,0]=4 394 B7R1.3 IC1=CN=CC=N1 236553 [2,0,0,0,0,0|1,0,0]=3 395 B7R1.3 IC1=NC=CC=C1 067334 [2,0,0,0,0,0|2,0,0]=4 396 B7R1.3 NC1=CC=CN=C1 003677 [2,0,0,0,0,0|2,0,0]=4 397 B7R1.3 NC1=NC=CC=C1 050259 [2,0,0,0,0,0|2,0,0]=4 398 B7R1.3 NC1=NC=CN=C1 043480 [2,0,0,0,0,0|1,0,0]=3 399 B7R1.3 NC1=NC=CN=N1 045802 [2,0,0,0,0,0|2,0,0]=4 400 B7R1.3 OC1=CC=CN=C1 045225 [2,0,0,0,0,0|2,0,0]=4 401 B7R1.3 OC1=NC=CC=C1 003423 [2,0,0,0,0,0|2,0,0]=4 402 B7R1.3 OC1=NC=CN=C1 076215 [2,0,0,0,0,0|1,0,0]=3 403 B7R1.3 SC1=NC=CC=C1 023265 [2,0,0,0,0,0|2,0,0]=4 404 B9R1.2 CC1=CC=CC(CO)=N1 092614 [1,1,0,0,0,0|2,0,0]=4 405 B9R1.2 CCC1=CC(I)=CC=C1 037712 [1,1,0,0,0,0|2,0,0]=4 406 B9R1.2 CCC1=CC=CC(Br)=C1 024168 [1,1,0,0,0,0|2,0,0]=4 407 B9R1.2 CCC1=CC=CC(N)=C1 043276 [1,1,0,0,0,0|2,0,0]=4 408 B9R1.2 CCC1=CC=CC(N)=N1 095025 [1,1,0,0,0,0|1,0,0]=3 409 B9R1.2 CNC1=CN=CC(Cl)=N1 043527 [1,1,0,0,0,0|1,0,0]=3 410 B9R1.2 CNC1=NC=CC(Br)=C1 339611 [1,1,0,0,0,0|2,0,0]=4 411 B9R1.2 COC1=CC=CC(N)=N1 043829 [1,1,0,0,0,0|2,0,0]=4 412 B9R1.2 COC1=CN=CC(I)=C1 038147 [1,1,0,0,0,0|2,0,0]=4 413 B9R1.2 COC1=CN=CC(N)=C1 048102 [1,1,0,0,0,0|2,0,0]=4 414 B9R1.2 COC1=NC(Br)=CC=C1 045063 [1,1,0,0,0,0|2,0,0]=4 415 B9R1.2 COC1=NC(C)=CC=C1 040046 [1,1,0,0,0,0|2,0,0]=4 416 B9R1.2 COC1=NC(Cl)=CC=C1 045005 [1,1,0,0,0,0|2,0,0]=4 417 B9R1.2 COC1=NC=CC(Br)=C1 036245 [1,1,0,0,0,0|2,0,0]=4 418 B9R1.2 COC1=NC=CC(F)=C1 208735 [1,1,0,0,0,0|2,0,0]=4 419 B9R1.2 COC1=NC=CC(N)=C1 036821 [1,1,0,0,0,0|2,0,0]=4 420 B9R1.2 NCC1=CN=CC(Cl)=C1 091239 [1,1,0,0,0,0|2,0,0]=4 421 B9R1.2 NCC1=NC(Br)=CC=C1 215138 [1,1,0,0,0,0|2,0,0]=4 422 B9R1.2 OCC1=CC(Br)=CN=C1 077270 [1,1,0,0,0,0|2,0,0]=4 423 B9R1.2 OCC1=NC(Cl)=CC=C1 067703 [1,1,0,0,0,0|2,0,0]=4 424 B9R1.2 OCC1=NC=CC(Br)=C1 075766 [1,1,0,0,0,0|2,0,0]=4 425 B9R1.6 CC(=O)C1=CC=CN=C1 032763 [1,1,0,0,0,0|1,0,1]=4 426 B9R1.6 CC(=O)C1=NC=CC=C1 044389 [1,1,0,0,0,0|1,0,1]=4 427 B9R1.6 CC(=O)C1=NC=CN=C1 002741 [1,1,0,0,0,0|0,0,1]=3 428 B9R1.6 CC(Br)C1=CC=CC=C1 001003 [1,1,0,0,0,0|2,0,0]=4 429 B9R1.6 CC(C)C1=CC=CC=C1 094649 [1,1,0,0,0,0|2,0,0]=4 430 B9R1.6 CC(C)C1=NC=CC=C1 078691 [1,1,0,0,0,0|1,0,0]=3 431 B9R1.6 CC(N)C1=CC=CC=C1 208695 [1,1,0,0,0,0|2,0,0]=4 432 B9R1.6 CC(N)C1=CN=CC=C1 030750 [1,1,0,0,0,0|1,0,0]=3 433 B9R1.6 CC(N)C1=NC=CC=C1 060819 [1,1,0,0,0,0|1,0,0]=3 434 B9R1.6 CC(O)C1=CC=CC=C1 098924 [1,1,0,0,0,0|2,0,0]=4 435 B9R1.6 CC(O)C1=CC=CN=C1 094012 [1,1,0,0,0,0|1,0,0]=3 436 B9R1.6 CC(O)C1=NC=CC=C1 088389 [1,1,0,0,0,0|1,0,0]=3 437 B9R1.6 CN(C)C1=CC=CN=C1 032574 [1,1,0,0,0,0|2,0,0]=4 438 B9R1.6 CN(C)C1=NC=CC=C1 219108 [1,1,0,0,0,0|2,0,0]=4 439 B9R1.6 C[C@@H](N)C1=CC=CC=C1 037431 [1,1,0,0,0,0|2,0,0]=4 440 B9R1.6 C[C@@H](N)C1=NC=CC=C1 078110 [1,1,0,0,0,0|1,0,0]=3 441 B9R1.6 C[C@@H](O)C1=CC=CC=C1 222634 [1,1,0,0,0,0|2,0,0]=4 442 B9R1.6 C[C@H](N)C1=CC=CC=C1 037432 [1,1,0,0,0,0|2,0,0]=4 443 B9R1.6 FC(F)C1=CC=CC=N1 050442 [1,1,0,0,0,0|2,0,0]=4 444 B9R1.6 FC(F)C1=CN=CC=C1 050443 [1,1,0,0,0,0|2,0,0]=4 445 B9R1.6 NC(=O)C1=NC=CN=C1 068696 [1,1,0,0,0,0|1,0,1]=4 446 B9R1.6 NC(=S)C1=NC=CN=C1 358370 [1,1,0,0,0,0|1,0,1]=4 447 B9R1.6 O=C(O)C1=NC=CN=C1 066244 [1,1,0,0,0,0|1,0,1]=4 448 B9R1.8 BrCCC1=CC=CC=C1 019261 [1,1,0,0,0,0|2,0,0]=4 449 B9R1.8 CCCC1=CC=CC=C1 095067 [1,1,0,0,0,0|2,0,0]=4 450 B9R1.8 CCCC1=NC=CC=C1 242850 [1,1,0,0,0,0|1,0,0]=3 451 B9R1.8 CCCC1=NC=CN=C1 002735 [1,1,0,0,0,0|0,0,0]=2 452 B9R1.8 CCNC1=CC=CC=C1 216665 [1,1,0,0,0,0|2,0,0]=4 453 B9R1.8 CCOC1=CC=CC=C1 098890 [1,1,0,0,0,0|2,0,0]=4 454 B9R1.8 CCOC1=NC=CC=C1 049694 [1,1,0,0,0,0|1,0,0]=3 455 B9R1.8 CCSC1=CC=CC=C1 001759 [1,1,0,0,0,0|2,0,0]=4 456 B9R1.8 CCSC1=NC=CC=C1 095363 [1,1,0,0,0,0|1,0,0]=3 457 B9R1.8 CNCC1=CC=CC=C1 020695 [1,1,0,0,0,0|2,0,0]=4 458 B9R1.8 CSCC1=CC=CC=C1 099640 [1,1,0,0,0,0|2,0,0]=4 459 B9R1.8 ClCCC1=CC=CC=C1 208883 [1,1,0,0,0,0|2,0,0]=4 460 B9R1.8 ClCCC1=CC=CC=N1 070463 [1,1,0,0,0,0|1,0,0]=3 461 B9R1.8 ICCC1=CC=CC=C1 001087 [1,1,0,0,0,0|2,0,0]=4 462 B9R1.8 N#CCC1=NC=CC=C1 047908 [1,1,0,0,0,0|1,0,1]=4 463 B9R1.8 NCCC1=CC=CC=C1 046873 [1,1,0,0,0,0|2,0,0]=4 464 B9R1.8 NCCC1=CC=CN=C1 010689 [1,1,0,0,0,0|1,0,0]=3 465 B9R1.8 NCCC1=CC=CN=C1 033239 [1,1,0,0,0,0|1,0,0]=3 466 B9R1.8 NCCC1=CC=CN=C1 065473 [1,1,0,0,0,0|1,0,0]=3 467 B9R1.8 NCCC1=NC=CC=C1 013702 [1,1,0,0,0,0|1,0,0]=3 468 B9R1.8 OCCC1=CC=CC=C1 222397 [1,1,0,0,0,0|2,0,0]=4 469 B9R1.8 OCCC1=CC=CN=C1 017523 [1,1,0,0,0,0|1,0,0]=3 470 B9R1.8 OCCC1=NC=CC=C1 223718 [1,1,0,0,0,0|1,0,0]=3 471 B9R1.15 CC1=CC=CN=C1CCl 234089 [1,1,0,0,0,0|2,0,0]=4 472 B9R1.15 CC1=CC=CN=C1CN 020197 [1,1,0,0,0,0|2,0,0]=4 473 B9R1.15 CCC1=C(Br)C=CC=C1 018276 [1,1,0,0,0,0|2,0,0]=4 474 B9R1.15 CCC1=C(Cl)C=CC=C1 018372 [1,1,0,0,0,0|2,0,0]=4 475 B9R1.15 CCC1=C(I)C=CC=C1 001197 [1,1,0,0,0,0|2,0,0]=4 476 B9R1.15 CCC1=C(N)C=CC=C1 043275 [1,1,0,0,0,0|2,0,0]=4 477 B9R1.15 CCC1=C(S)C=CC=C1 001289 [1,1,0,0,0,0|2,0,0]=4 478 B9R1.15 CCC1=CC=CC=C1O 240992 [1,1,0,0,0,0|2,0,0]=4 479 B9R1.15 CCC1=NC=NC=C1F 079955 [1,1,0,0,0,0|2,0,0]=4 480 B9R1.15 CCC1=[N+]([O-])C=CC=C1 032650 [1,1,0,0,0,0|1,0,1]=4 481 B9R1.15 COC1=CC=CN=C1Br 037013 [1,1,0,0,0,0|2,0,0]=4 482 B9R1.15 COC1=CC=CN=C1N 064878 [1,1,0,0,0,0|2,0,0]=4 483 B9R1.15 COC1=CC=CN=C1O 219308 [1,1,0,0,0,0|2,0,0]=4 484 B9R1.15 COC1=NC=CC=C1F 220022 [1,1,0,0,0,0|2,0,0]=4 485 B9R1.15 COC1=NC=CC=C1I 036267 [1,1,0,0,0,0|2,0,0]=4 486 B9R1.15 N#CC1=NC=CN=C1Cl 005877 [1,1,0,0,0,0|1,0,1]=4 487 B9R1.15 N#CC1=NC=CN=C1N 076968 [1,1,0,0,0,0|1,0,1]=4 488 B9R1.15 NNC1=NC=CN=C1Cl 061253 [1,1,0,0,0,0|2,0,0]=4 489 B9R1.15 OC1=C(CBr)N=CC=C1 431436 [1,1,0,0,0,0|2,0,0]=4 490 B9R1.15 OCC1=CC=CN=C1F 036274 [1,1,0,0,0,0|2,0,0]=4 491 B9R1.15 OCC1=NC=CC=C1O 092366 [1,1,0,0,0,0|2,0,0]=4 492 B9R1.69 CC1=C(C)N=C(N)C=C1 024688 [1,1,0,0,0,0|2,0,0]=4 493 B9R1.69 CC1=CC(Br)=C(C)C=C1 019270 [1,1,0,0,0,0|2,0,0]=4 494 B9R1.69 CC1=CC(Br)=C(Cl)N=C1 043875 [1,1,0,0,0,0|2,0,0]=4 495 B9R1.69 CC1=CC(F)=C(Cl)N=C1 033267 [1,1,0,0,0,0|2,0,0]=4 496 B9R1.69 CC1=CC(I)=C(C)C=C1 003509 [1,1,0,0,0,0|2,0,0]=4 497 B9R1.69 CC1=CC(N)=C(C)C=C1 094616 [1,1,0,0,0,0|2,0,0]=4 498 B9R1.69 CC1=CC(N)=C(Cl)N=C1 033670 [1,1,0,0,0,0|2,0,0]=4 499 B9R1.69 CC1=CC(S)=C(C)C=C1 001345 [1,1,0,0,0,0|2,0,0]=4 500 B9R1.69 CC1=CC=C(Br)C(Cl)=N1 036228 [1,1,0,0,0,0|2,0,0]=4 501 B9R1.69 CC1=CC=C(Br)C(F)=N1 077268 [1,1,0,0,0,0|2,0,0]=4 502 B9R1.69 CC1=CC=C(C)C(Cl)=C1 094429 [1,1,0,0,0,0|2,0,0]=4 503 B9R1.69 CC1=CC=C(Cl)N=C1Cl 079679 [1,1,0,0,0,0|2,0,0]=4 504 B9R1.69 CC1=CC=C(N)C(C)=N1 079681 [1,1,0,0,0,0|2,0,0]=4 505 B9R1.69 CC1=CC=C(O)C(C)=N1 208702 [1,1,0,0,0,0|2,0,0]=4 506 B9R1.69 CC1=CC=C(O)C(I)=N1 076967 [1,1,0,0,0,0|2,0,0]=4 507 B9R1.69 CC1=CN=C(Br)C(Br)=C1 033109 [1,1,0,0,0,0|2,0,0]=4 508 B9R1.69 CC1=CN=C(C)C(C)=C1 219272 [1,1,0,0,0,0|1,0,0]=3 509 B9R1.69 CC1=CN=C(C)N=C1O 189283 [1,1,0,0,0,0|2,0,0]=4 510 B9R1.69 CC1=CN=C(F)C=C1I 036281 [1,1,0,0,0,0|2,0,0]=4 511 B9R1.69 CC1=CN=C(N)C(Br)=C1 002493 [1,1,0,0,0,0|2,0,0]=4 512 B9R1.69 CC1=CN=C(N)C(Cl)=C1 219357 [1,1,0,0,0,0|2,0,0]=4 513 B9R1.69 CC1=NC=C(N)C=C1Br 064785 [1,1,0,0,0,0|2,0,0]=4 514 B9R1.69 ClC1=CN=C(I)C(Cl)=N1 092141 [1,1,0,0,0,0|2,0,0]=4 515 B9R1.69 NC1=NC=C(Br)N=C1Br 036760 [1,1,0,0,0,0|2,0,0]=4 516 B9R1.69 NC1=NC=C(Cl)N=C1Cl 076341 [1,1,0,0,0,0|2,0,0]=4 517 B9R1.7 NCCN1C=C(Cl)C=N1 030426 [0,1,0,0,1,0|2,0,0]=4 518 B9R1.21 CCN1C=C(C=O)C=N1 014500 [0,1,0,0,1,0|1,0,1]=4 519 B9R1.21 CCN1C=CC(CN)=N1 030479 [0,1,0,0,1,0|2,0,0]=4 520 B9R1.22 CC1=CC(CN)=C(C)O1 044303 [0,1,0,0,1,0|2,0,0]=4 521 B9R1.22 CCN1N=C(C)C=C1N 030192 [0,1,0,0,1,0|2,0,0]=4 522 B9R1.22 CCN1N=C(C)CC1=O 180064 [0,1,0,0,1,0|2,0,0]=4 523 B9R1.23 CCC1=NC(C)=C(C)S1 009626 [0,1,0,0,1,0|1,0,0]=3 524 B9R1.23 CCN1C=C(Br)C(C)=N1 026156 [0,1,0,0,1,0|2,0,0]=4 525 B9R1.35 CC(=O)C1=CN(C)N=C1 031562 [0,1,0,0,1,0|1,0,1]=4 526 B9R1.35 CC(C)C1=NNC(N)=C1 021514 [0,1,0,0,1,0|2,0,0]=4 527 B9R1.35 CC(C)C1=NSC(N)=N1 009664 [0,1,0,0,1,0|2,0,0]=4 528 B9R1.35 CC1=CSC(C(C)C)=N1 009624 [0,1,0,0,1,0|1,0,0]=3 529 B11R1.1 CC1=CC=C(SCCO)C=C1 094955 [0,2,0,0,0,0|2,0,0]=4 530 B11R1.1 CCCOC1=CC=C(C)C=C1 097641 [0,2,0,0,0,0|2,0,0]=4 531 B11R1.1 CCCSC1=CC=C(C)C=C1 094774 [0,2,0,0,0,0|2,0,0]=4 532 B11R1.20 CC(=O)CC1=CC=C(C)C=C1 002599 [0,2,0,0,0,0|2,0,0]=4 533 B11R1.20 CC1=CC=C(SC(C)C)C=C1 094759 [0,2,0,0,0,0|2,0,0]=4 534 B11R1.22 CC1=CN=C(\C(N)=N\O)C=N1 021825 [0,2,0,0,0,0|1,0,1]=4 535 B11R1.22 CCC(=O)C1=CC=C(C)C=C1 216656 [0,2,0,0,0,0|2,0,0]=4 536 B11R1.22 CNC(=O)C1=NC=C(C)N=C1 024487 [0,2,0,0,0,0|0,0,1]=3 537 B11R1.22 COC(=O)C1=CC=C(C)N=C1 024182 [0,2,0,0,0,0|1,0,1]=4 538 B11R1.22 COC(=O)C1=NC=C(C)C=C1 209069 [0,2,0,0,0,0|1,0,1]=4 539 B11R1.22 COC(=O)C1=NC=C(C)N=C1 020105 [0,2,0,0,0,0|0,0,1]=3 540 B11R1.22 COC(=O)C1=NC=C(Cl)N=C1 066992 [0,2,0,0,0,0|1,0,1]=4 541 B11R1.22 COC(=O)C1=NC=C(O)N=C1 076343 [0,2,0,0,0,0|1,0,1]=4 542 B11R1.81 CC1=CC(C)=C(CCN)C=C1 018631 [0,2,0,0,0,0|2,0,0]=4 543 B11R1.83 CCC1=CC=C(CCN)C=C1 141300 [0,2,0,0,0,0|2,0,0]=4 544 B11R1.83 CCC1=CN=C(CCO)C=C1 036554 [0,2,0,0,0,0|1,0,0]=3 545 B11R1.83 CCOC1=CC=C(CO)C=C1 459231 [0,2,0,0,0,0|2,0,0]=4 546 B11R1.83 CCOC1=CC=C(SC)C=C1 098464 [0,2,0,0,0,0|2,0,0]=4 547 B11R1.83 CCSC1=CC=C(OC)C=C1 094724 [0,2,0,0,0,0|2,0,0]=4 548 B11R1.83 CNCC1=CC=C(OC)C=C1 042366 [0,2,0,0,0,0|2,0,0]=4 549 B11R1.83 COC1=CC=C(CCCl)C=C1 330010 [0,2,0,0,0,0|2,0,0]=4 550 B11R1.83 COC1=CC=C(CCN)C=C1 008885 [0,2,0,0,0,0|2,0,0]=4 551 B11R1.83 COC1=CC=C(CCO)C=C1 209105 [0,2,0,0,0,0|2,0,0]=4 552 B11R1.83 COCC1=CC=C(CN)C=C1 075961 [0,2,0,0,0,0|2,0,0]=4 553 B11R1.192 CC1=C(C)C=C(CCN)C=C1 018634 [0,2,0,0,0,0|2,0,0]=4 554 B11R1.3 CC(C)C1=CC=C(CBr)C=C1 224006 [0,2,0,0,0,0|2,0,0]=4 555 B11R1.3 CC(C)C1=CC=C(CCl)C=C1 002476 [0,2,0,0,0,0|2,0,0]=4 556 B11R1.3 CC(C)C1=CC=C(CN)C=C1 060239 [0,2,0,0,0,0|2,0,0]=4 557 B11R1.3 CC(C)C1=CC=C(CO)C=C1 449201 [0,2,0,0,0,0|2,0,0]=4 558 B11R1.3 COC1=CC=C(C(C)=O)C=N1 046159 [0,2,0,0,0,0|1,0,1]=4 559 B11R1.3 COC1=CC=C(C(C)C)C=C1 225759 [0,2,0,0,0,0|2,0,0]=4 560 B11R1.3 COC1=CC=C(C(C)N)C=C1 030158 [0,2,0,0,0,0|2,0,0]=4 561 B11R1.3 COC1=CC=C(C(C)O)C=C1 002977 [0,2,0,0,0,0|2,0,0]=4 562 B11R1.3 COC1=CC=C([C@@H](C)N)C=C1 042889 [0,2,0,0,0,0|2,0,0]=4 563 B11R1.3 COC1=CC=C([C@@H](C)N)C=C1 210022 [0,2,0,0,0,0|2,0,0]=4 564 B11R1.3 COC1=CC=C([C@H](C)N)C=C1 040169 [0,2,0,0,0,0|2,0,0]=4 565 B11R1.3 COC1=CN=C(C(=O)O)C=N1 076463 [0,2,0,0,0,0|1,0,1]=4 566 B11R1.279 CCC1=CC(Br)=C(OC)C=C1 448502 [0,2,0,0,0,0|2,0,0]=4 567 B11R1.19 CC(F)(F)C1=NC=C(Cl)N=C1 099598 [0,2,0,0,0,0|1,0,0]=3 568 B11R1.19 CC1=CC=C(C(C)(C)C)C=C1 241245 [0,2,0,0,0,0|2,0,0]=4 569 B11R1.19 CC1=NC=C(C(F)(F)F)C=C1 038151 [0,2,0,0,0,0|2,0,0]=4 570 B11R1.19 CC1=NC=C(C(F)(F)F)N=C1 075276 [0,2,0,0,0,0|1,0,0]=3 571 B11R1.19 FC(F)(F)C1=NC=C(Cl)N=C1 075803 [0,2,0,0,0,0|2,0,0]=4 572 B11R1.19 NC1=NC=C(C(F)(F)F)N=C1 219287 [0,2,0,0,0,0|2,0,0]=4 573 B11R1.21 CC1=CC=C(C(C)C)C=C1O 226523 [0,2,0,0,0,0|2,0,0]=4 574 B11R1.166 CC1=CC=C(C(C)C)C(O)=C1 227085 [0,2,0,0,0,0|2,0,0]=4 575 B11R2.36 CC1=CC2=C(C=C1)NCC2 208813 [0,1,0,1,0,0|2,0,0]=4 576 B7R1.1 CCC1=CC=CN1 002567 [1,0,0,0,1,0|0,0,1]=3 577 B7R1.1 CCC1=CC=CS1 001177 [1,0,0,0,1,0|1,0,0]=3 578 B7R1.1 CCC1=CSC=C1 006141 [1,0,0,0,1,0|1,0,0]=3 579 B7R1.1 CCC1=NC=CN1 018684 [1,0,0,0,1,0|0,0,1]=3 580 B7R1.1 CCN1C=CC=C1 002566 [1,0,0,0,1,0|2,0,0]=4 581 B7R1.1 CCN1C=CC=N1 068645 [1,0,0,0,1,0|1,0,0]=3 582 B7R1.1 CCN1C=CN=C1 078976 [1,0,0,0,1,0|1,0,0]=3 583 B7R1.1 COC1=CSC=C1 013627 [1,0,0,0,1,0|2,0,0]=4 584 B7R1.1 COC1=NC=CS1 009621 [1,0,0,0,1,0|2,0,0]=4 585 B7R1.1 CSC1=NC=CS1 009622 [1,0,0,0,1,0|2,0,0]=4 586 B7R1.1 ClCC1=CNC=N1 016135 [1,0,0,0,1,0|1,0,1]=4 587 B7R1.1 ClCC1=CSC=N1 013925 [1,0,0,0,1,0|2,0,0]=4 588 B7R1.1 ClCC1=NC=CN1 023425 [1,0,0,0,1,0|1,0,1]=4 589 B7R1.1 NCC1=CC=CO1 358202 [1,0,0,0,1,0|2,0,0]=4 590 B7R1.1 NCC1=CC=CS1 092186 [1,0,0,0,1,0|2,0,0]=4 591 B7R1.1 NCC1=CN=CO1 076442 [1,0,0,0,1,0|2,0,0]=4 592 B7R1.1 NCC1=COC=N1 219245 [1,0,0,0,1,0|2,0,0]=4 593 B7R1.1 NCC1=NC=CS1 013114 [1,0,0,0,1,0|2,0,0]=4 594 B7R1.1 NCC1=NNC=C1 043021 [1,0,0,0,1,0|2,0,0]=4 595 B7R1.1 OCC1=CC=CO1 143000 [1,0,0,0,1,0|2,0,0]=4 596 B7R1.1 OCC1=CC=CS1 208652 [1,0,0,0,1,0|2,0,0]=4 597 B7R1.1 OCC1=CN=CS1 016175 [1,0,0,0,1,0|2,0,0]=4 598 B7R1.1 OCC1=CNC=N1 016121 [1,0,0,0,1,0|1,0,1]=4 599 B7R1.1 OCC1=CNC=N1 067734 [1,0,0,0,1,0|1,0,1]=4 600 B7R1.1 OCC1=COC=C1 092657 [1,0,0,0,1,0|2,0,0]=4 601 B7R1.1 OCC1=CSC=C1 067714 [1,0,0,0,1,0|2,0,0]=4 602 B7R1.1 OCC1=CSC=N1 016174 [1,0,0,0,1,0|2,0,0]=4 603 B7R1.1 OCC1=NC=CS1 067720 [1,0,0,0,1,0|2,0,0]=4 604 B7R1.1 OCN1C=CC=N1 078295 [1,0,0,0,1,0|2,0,0]=4 605 B7R1.1 SCC1=CC=CO1 002796 [1,0,0,0,1,0|2,0,0]=4 606 B7R1.1 SCC1=CC=CS1 104865 [1,0,0,0,1,0|2,0,0]=4 607 B7R1.2 CC1=CC(Br)=CS1 022016 [1,0,0,0,1,0|2,0,0]=4 608 B7R1.2 CC1=CC(Br)=NN1 079115 [1,0,0,0,1,0|2,0,0]=4 609 B7R1.2 CC1=CC(C)=NN1 037857 [1,0,0,0,1,0|1,0,0]=3 610 B7R1.2 CC1=CC(C)=NO1 023218 [1,0,0,0,1,0|1,0,0]=3 611 B7R1.2 CC1=CC(N)=NN1 005985 [1,0,0,0,1,0|2,0,0]=4 612 B7R1.2 CC1=CC(N)=NO1 227902 [1,0,0,0,1,0|2,0,0]=4 613 B7R1.2 CC1=CC=C(C)N1 236653 [1,0,0,0,1,0|1,0,1]=4 614 B7R1.2 CC1=CC=C(C)S1 002791 [1,0,0,0,1,0|2,0,0]=4 615 B7R1.2 CC1=CN=C(Br)S1 067363 [1,0,0,0,1,0|2,0,0]=4 616 B7R1.2 CC1=CN=C(N)S1 011366 [1,0,0,0,1,0|2,0,0]=4 617 B7R1.2 CC1=CNC(Br)=N1 222056 [1,0,0,0,1,0|1,0,1]=4 618 B7R1.2 CC1=CNC(C)=N1 078094 [1,0,0,0,1,0|0,0,1]=3 619 B7R1.2 CC1=COC(N)=N1 016110 [1,0,0,0,1,0|2,0,0]=4 620 B7R1.2 CC1=CSC(Br)=N1 016134 [1,0,0,0,1,0|2,0,0]=4 621 B7R1.2 CC1=CSC(C)=N1 002760 [1,0,0,0,1,0|1,0,0]=3 622 B7R1.2 CC1=CSC(N)=N1 023295 [1,0,0,0,1,0|2,0,0]=4 623 B7R1.2 CC1=NC(Br)=CN1 209279 [1,0,0,0,1,0|1,0,1]=4 624 B7R1.2 CC1=NC=C(I)N1 077607 [1,0,0,0,1,0|1,0,1]=4 625 B7R1.2 CC1=NN(C)C=C1 038245 [1,0,0,0,1,0|2,0,0]=4 626 B7R1.2 CC1=NNC(C)=N1 233300 [1,0,0,0,1,0|1,0,0]=3 627 B7R1.2 CC1=NSC(N)=C1 021671 [1,0,0,0,1,0|2,0,0]=4 628 B7R1.2 CC1=NSC(N)=N1 009666 [1,0,0,0,1,0|2,0,0]=4 629 B7R1.2 CN1C=C(Br)C=N1 033223 [1,0,0,0,1,0|2,0,0]=4 630 B7R1.2 CN1C=C(I)C=N1 067375 [1,0,0,0,1,0|2,0,0]=4 631 B7R1.2 CN1C=C(N)C=N1 030187 [1,0,0,0,1,0|2,0,0]=4