0 B8R1.2 BrCC1=CC=CN=C1 AC190295 [0,0,0,0,0,0|3,0,0]=3 1 B8R1.2 BrCC1=CC=NC=C1 AC190236 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.2 BrCC1=NC=CC=C1 AC190262 [0,0,0,0,0,0|1,0,0]=1 3 B8R1.2 C#CC1=CC=CC=N1 AC180444 [0,0,0,0,0,0|1,0,1]=2 4 B8R1.2 C#CC1=CC=CN=C1 AC500275 [0,0,0,0,0,0|3,0,1]=4 5 B8R1.2 C#CC1=CC=NC=C1 AC181543 [0,0,0,0,0,0|3,0,1]=4 6 B8R1.2 C#CC1=CC=NC=C1 AC511059 [0,0,0,0,0,0|3,0,1]=4 7 B8R1.2 CNC1=CN=CC=N1 LN00001826 [0,0,0,0,0,0|3,0,0]=3 8 B8R1.2 CNC1=NC=CC=C1 AC500327 [0,0,0,0,0,0|2,0,0]=2 9 B8R1.2 COC1=CC=NC=C1 AC510883 [0,0,0,0,0,0|4,0,0]=4 10 B8R1.2 CSC1=CN=CC=N1 LN00220945 [0,0,0,0,0,0|3,0,0]=3 11 B8R1.2 ClCC1=CC=CC=N1 AC510931 [0,0,0,0,0,0|1,0,0]=1 12 B8R1.2 ClCC1=CC=CN=C1 AC190048 [0,0,0,0,0,0|3,0,0]=3 13 B8R1.2 ClCC1=NC=CC=N1 AC182476 [0,0,0,0,0,0|2,0,0]=2 14 B8R1.2 N#CC1=CC=NC=N1 AC182192 [0,0,0,0,0,0|2,0,1]=3 15 B8R1.2 N#CC1=NC=CC=N1 AC180809 [0,0,0,0,0,0|2,0,1]=3 16 B8R1.2 NCC1=CC=CN=C1 AC512081 [0,0,0,0,0,0|3,0,0]=3 17 B8R1.2 NCC1=CC=NC=C1 AC510741 [0,0,0,0,0,0|3,0,0]=3 18 B8R1.2 NCC1=CC=NC=N1 AC511312 [0,0,0,0,0,0|2,0,0]=2 19 B8R1.2 NCC1=NC=CC=N1 AC182213 [0,0,0,0,0,0|2,0,0]=2 20 B8R1.2 NCC1=NC=CN=C1 AC511030 [0,0,0,0,0,0|2,0,0]=2 21 B8R1.2 NNC1=CC=CN=C1 AC182314 [0,0,0,0,0,0|4,0,0]=4 22 B8R1.2 NNC1=CC=NC=C1 AC511160 [0,0,0,0,0,0|4,0,0]=4 23 B8R1.2 NNC1=NC=CC=C1 AC510793 [0,0,0,0,0,0|2,0,0]=2 24 B8R1.2 O=CC1=CC=CN=C1 AC170118 [0,0,0,0,0,0|2,1,1]=4 25 B8R1.2 O=CC1=CC=NC=C1 AC180162 [0,0,0,0,0,0|2,1,1]=4 26 B8R1.2 O=CC1=NC=CC=C1 AC500026 [0,0,0,0,0,0|0,1,1]=2 27 B8R1.2 OCC1=CC=CC=C1 HY-B0892 [0,0,0,0,0,0|1,1,0]=2 28 B8R1.2 OCC1=CC=CN=C1 AC500154 [0,0,0,0,0,0|2,1,0]=3 29 B8R1.2 OCC1=CC=NC=C1 AC510857 [0,0,0,0,0,0|2,1,0]=3 30 B8R1.2 OCC1=CN=CN=C1 AC170027 [0,0,0,0,0,0|3,1,0]=4 31 B8R1.2 OCC1=NC=CC=C1 AC511744 [0,0,0,0,0,0|0,1,0]=1 32 B8R1.2 OCC1=NC=CC=N1 AC182042 [0,0,0,0,0,0|1,1,0]=2 33 B8R1.2 ONC1=CC=CC=C1 AC500156 [0,0,0,0,0,0|2,1,0]=3 34 B8R1.2 SCC1=NC=CC=C1 AC100035 [0,0,0,0,0,0|0,0,0]=0 35 B7R1.3 BrC1=CC=CN=N1 AC190121 [1,0,0,0,0,0|2,0,0]=3 36 B7R1.3 BrC1=CC=CN=N1 AC310137 [1,0,0,0,0,0|2,0,0]=3 37 B7R1.3 BrC1=CC=NC=C1 AC180288 [1,0,0,0,0,0|3,0,0]=4 38 B7R1.3 BrC1=NC=CC=C1 AC130148 [1,0,0,0,0,0|1,0,0]=2 39 B7R1.3 BrC1=NC=CC=N1 AC500033 [1,0,0,0,0,0|2,0,0]=3 40 B7R1.3 BrC1=NC=CN=C1 AC510840 [1,0,0,0,0,0|2,0,0]=3 41 B7R1.3 CC1=CC=CN=N1 AC510670 [1,0,0,0,0,0|1,0,0]=2 42 B7R1.3 CC1=CC=NC=N1 AC021043 [1,0,0,0,0,0|1,0,0]=2 43 B7R1.3 CC1=CN=CN=C1 AC050446 [1,0,0,0,0,0|3,0,0]=4 44 B7R1.3 ClC1=CC=CN=C1 AC510157 [1,0,0,0,0,0|3,0,0]=4 45 B7R1.3 ClC1=NC=CN=C1 AC500205 [1,0,0,0,0,0|2,0,0]=3 46 B7R1.3 FC1=CC=CN=C1 AC510740 [1,0,0,0,0,0|3,0,0]=4 47 B7R1.3 IC1=CC=CC=C1 AC130763 [1,0,0,0,0,0|2,0,0]=3 48 B7R1.3 IC1=CC=CC=N1 AC190289 [1,0,0,0,0,0|1,0,0]=2 49 B7R1.3 IC1=CC=CN=C1 AC180371 [1,0,0,0,0,0|3,0,0]=4 50 B7R1.3 IC1=CC=NC=C1 AC181399 [1,0,0,0,0,0|3,0,0]=4 51 B7R1.3 IC1=NC=CN=C1 AC511853 [1,0,0,0,0,0|2,0,0]=3 52 B7R1.3 NC1=CC=NC=C1 HY-B0604 [1,0,0,0,0,0|3,0,0]=4 53 B7R1.3 NC1=NC=CC=N1 AC130528 [1,0,0,0,0,0|2,0,0]=3 54 B7R1.3 NC1=NC=CN=C1 AC180138 [1,0,0,0,0,0|2,0,0]=3 55 B7R1.3 NC1=NC=CN=N1 AC511166 [1,0,0,0,0,0|3,0,0]=4 56 B7R1.3 NC1=NN=CC=C1 AC181239 [1,0,0,0,0,0|2,0,0]=3 57 B7R1.3 O=C1NC=CC=N1 AC180285 [1,0,0,0,0,0|1,1,0]=3 58 B7R1.3 O=C1NN=CC=C1 AC180688 [1,0,0,0,0,0|1,1,1]=4 59 B7R1.3 OC1=CC=NC=C1 AC510896 [1,0,0,0,0,0|2,1,0]=4 60 B7R1.3 OC1=NC=CC=C1 AC500203 [1,0,0,0,0,0|0,1,0]=2 61 B7R1.3 [O-][N+]1=CC=CC=C1 AC130307 [1,0,0,0,0,0|2,1,0]=4 62 B9R1.1 BC1=CC=C(OC)C=C1 AC090165 [0,1,0,0,0,0|3,0,0]=4 63 B9R1.1 BrC1=CC=C(C=C)C=C1 AC500252 [0,1,0,0,0,0|2,0,1]=4 64 B9R1.1 BrC1=CC=C(C=C1)C#C AC310107 [0,1,0,0,0,0|2,0,1]=4 65 B9R1.1 BrC1=CC=C(C=C1)C#N AC500050 [0,1,0,0,0,0|2,0,1]=4 66 B9R1.1 BrC1=CC=C(C=O)C=C1 AC130129 [0,1,0,0,0,0|1,1,1]=4 67 B9R1.1 BrC1=CC=C(C=O)N=C1 AC181786 [0,1,0,0,0,0|0,1,1]=3 68 B9R1.1 BrC1=CN=C(C=C1)C#N AC511012 [0,1,0,0,0,0|1,0,1]=3 69 B9R1.1 BrC1=CN=C(N=C1)C#N AC181514 [0,1,0,0,0,0|2,0,1]=4 70 B9R1.1 BrC1=NC=C(N=C1)C#N AC512073 [0,1,0,0,0,0|2,0,1]=4 71 B9R1.1 BrCC1=CC=C(Br)C=C1 AC511101 [0,1,0,0,0,0|2,0,0]=3 72 B9R1.1 BrCC1=CC=C(I)C=C1 AC511536 [0,1,0,0,0,0|2,0,0]=3 73 B9R1.1 C#CC1=CC=C(C=C1)N LN00337947 [0,1,0,0,0,0|2,0,1]=4 74 B9R1.1 C1=C(C=CC(=C1)Cl)CN LN00007551 [0,1,0,0,0,0|2,0,0]=3 75 B9R1.1 C1=C(C=CC(=C1)I)CN LN00181807 [0,1,0,0,0,0|2,0,0]=3 76 B9R1.1 C1=C(C=CC(=C1)I)CO LN00140802 [0,1,0,0,0,0|1,1,0]=3 77 B9R1.1 CC1=CC=C(C=C1)C#C AC310130 [0,1,0,0,0,0|2,0,1]=4 78 B9R1.1 CC1=CC=C(C=O)C=C1 AC131766 [0,1,0,0,0,0|1,1,1]=4 79 B9R1.1 CC1=CC=C(C=O)N=C1 AC511100 [0,1,0,0,0,0|0,1,1]=3 80 B9R1.1 CC1=CC=C(CO)C=N1 AC100103 [0,1,0,0,0,0|2,1,0]=4 81 B9R1.1 CC1=CC=C(NN)C=C1 AC510908 [0,1,0,0,0,0|3,0,0]=4 82 B9R1.1 CC1=CN=C(C=C1)C#N AC181932 [0,1,0,0,0,0|1,0,1]=3 83 B9R1.1 CC1=NC=C(CBr)C=C1 AC190124 [0,1,0,0,0,0|3,0,0]=4 84 B9R1.1 CNC1=NN=C(Cl)C=C1 AC181410 [0,1,0,0,0,0|3,0,0]=4 85 B9R1.1 COC1=CC=C(Br)C=N1 AC130157 [0,1,0,0,0,0|2,0,0]=3 86 B9R1.1 COC1=CC=C(Cl)N=N1 AC130198 [0,1,0,0,0,0|3,0,0]=4 87 B9R1.1 COC1=CC=C(I)C=C1 AC190049 [0,1,0,0,0,0|3,0,0]=4 88 B9R1.1 COC1=CC=C(I)C=N1 AC070095 [0,1,0,0,0,0|2,0,0]=3 89 B9R1.1 COC1=CC=C(O)C=C1 AC130677 [0,1,0,0,0,0|3,0,0]=4 90 B9R1.1 COC1=CC=C(S)C=C1 AC130236 [0,1,0,0,0,0|3,0,0]=4 91 B9R1.1 COC1=CN=C(N)C=N1 AC512160 [0,1,0,0,0,0|3,0,0]=4 92 B9R1.1 COC1=NC=C(Br)C=C1 AC130150 [0,1,0,0,0,0|2,0,0]=3 93 B9R1.1 COC1=NC=C(Br)C=N1 AC181878 [0,1,0,0,0,0|3,0,0]=4 94 B9R1.1 COC1=NC=C(C)C=C1 AC182341 [0,1,0,0,0,0|2,0,0]=3 95 B9R1.1 COC1=NC=C(Cl)C=C1 AC070111 [0,1,0,0,0,0|2,0,0]=3 96 B9R1.1 COC1=NC=C(N)C=C1 AC180146 [0,1,0,0,0,0|2,0,0]=3 97 B9R1.1 COC1=NC=C(N)C=N1 AC182229 [0,1,0,0,0,0|3,0,0]=4 98 B9R1.1 COC1=NC=C(O)C=C1 AC511210 [0,1,0,0,0,0|2,0,0]=3 99 B9R1.1 COC1=NC=C(O)C=N1 AC040104 [0,1,0,0,0,0|3,0,0]=4 100 B9R1.1 CSC1=CC=C(O)C=C1 AC130022 [0,1,0,0,0,0|3,0,0]=4 101 B9R1.1 CSC1=NC=C(Br)C=N1 AC511500 [0,1,0,0,0,0|3,0,0]=4 102 B9R1.1 CSC1=NC=C(C=N1)O LN00335641 [0,1,0,0,0,0|3,0,0]=4 103 B9R1.1 CSC1=NC=C(O)C=N1 AC180908 [0,1,0,0,0,0|3,0,0]=4 104 B9R1.1 ClC1=CC=C(C=C1)C#C AC310131 [0,1,0,0,0,0|2,0,1]=4 105 B9R1.1 ClC1=CC=C(C=C1)C#N AC510885 [0,1,0,0,0,0|2,0,1]=4 106 B9R1.1 ClC1=CN=C(C=C1)C#N AC512147 [0,1,0,0,0,0|1,0,1]=3 107 B9R1.1 ClC1=CN=C(C=O)C=C1 AC182265 [0,1,0,0,0,0|0,1,1]=3 108 B9R1.1 ClC1=CN=C(N=C1)C#N AC181518 [0,1,0,0,0,0|2,0,1]=4 109 B9R1.1 ClC1=NC=C(N=C1)C#N AC182426 [0,1,0,0,0,0|2,0,1]=4 110 B9R1.1 ClC1=NN=C(C=C1)C#N AC511211 [0,1,0,0,0,0|2,0,1]=4 111 B9R1.1 ClCC1=CC=C(Br)C=C1 AC511747 [0,1,0,0,0,0|2,0,0]=3 112 B9R1.1 FC1=CC=C(C=C1)C#C AC310126 [0,1,0,0,0,0|2,0,1]=4 113 B9R1.1 FC1=CC=C(C=C1)C#N AC180025 [0,1,0,0,0,0|2,0,1]=4 114 B9R1.1 FC1=CC=C(C=O)C=C1 AC131767 [0,1,0,0,0,0|1,1,1]=4 115 B9R1.1 FC1=CN=C(C=C1)C#N AC511660 [0,1,0,0,0,0|1,0,1]=3 116 B9R1.1 FC1=CN=C(C=O)C=C1 AC511176 [0,1,0,0,0,0|0,1,1]=3 117 B9R1.1 FC1=CN=C(N=C1)C#N AC020929 [0,1,0,0,0,0|2,0,1]=4 118 B9R1.1 IC1=CC=C(C=C1)C#N AC500297 [0,1,0,0,0,0|2,0,1]=4 119 B9R1.1 IC1=CC=C(C=O)C=C1 AC180421 [0,1,0,0,0,0|1,1,1]=4 120 B9R1.1 NC1=CC=C(C=C1)C#C AC310136 [0,1,0,0,0,0|2,0,1]=4 121 B9R1.1 NC1=CC=C(C=C1)C#N AC190216 [0,1,0,0,0,0|2,0,1]=4 122 B9R1.1 NC1=CC=C(CO)C=C1 AC510886 [0,1,0,0,0,0|1,1,0]=3 123 B9R1.1 NC1=CN=C(C=N1)C#N AC030019 [0,1,0,0,0,0|2,0,1]=4 124 B9R1.1 NCC1=CC=C(Br)C=C1 AC500062 [0,1,0,0,0,0|2,0,0]=3 125 B9R1.1 NCC1=CC=C(Cl)C=C1 AC510625 [0,1,0,0,0,0|2,0,0]=3 126 B9R1.1 NCC1=CC=C(O)C=C1 AC190229 [0,1,0,0,0,0|2,0,0]=3 127 B9R1.1 NCC1=CN=C(Cl)C=C1 AC511011 [0,1,0,0,0,0|3,0,0]=4 128 B9R1.1 NCC1=CNC(=O)C=C1 AC182250 [0,1,0,0,0,0|3,0,0]=4 129 B9R1.1 NCC1=NC=C(Br)C=C1 AC181948 [0,1,0,0,0,0|1,0,0]=2 130 B9R1.1 NNC1=CC=C(Br)C=C1 AC131225 [0,1,0,0,0,0|3,0,0]=4 131 B9R1.1 NNC1=CC=C(Cl)N=N1 AC180508 [0,1,0,0,0,0|3,0,0]=4 132 B9R1.1 NNC1=NC=C(Br)C=C1 AC181048 [0,1,0,0,0,0|2,0,0]=3 133 B9R1.1 OC1=CC=C(C=C1)C#N AC190204 [0,1,0,0,0,0|2,0,1]=4 134 B9R1.1 OC1=CC=C(C=O)C=C1 AC130039 [0,1,0,0,0,0|1,1,1]=4 135 B9R1.1 OC1=CN=C(C=O)C=C1 AC511243 [0,1,0,0,0,0|0,1,1]=3 136 B9R1.1 OCC1=CC=C(Br)C=C1 AC190199 [0,1,0,0,0,0|1,1,0]=3 137 B9R1.1 OCC1=CC=C(Cl)C=C1 AC190200 [0,1,0,0,0,0|1,1,0]=3 138 B9R1.1 OCC1=CC=C(Cl)N=C1 AC181178 [0,1,0,0,0,0|2,1,0]=4 139 B9R1.1 OCC1=CC=C(I)C=C1 AC511569 [0,1,0,0,0,0|1,1,0]=3 140 B9R1.1 OCC1=NC=C(Br)C=C1 AC181754 [0,1,0,0,0,0|0,1,0]=2 141 B9R1.1 OCC1=NC=C(Cl)N=C1 AC182624 [0,1,0,0,0,0|1,1,0]=3 142 B9R1.1 OCC1=NC=C(O)C=C1 AC512020 [0,1,0,0,0,0|0,1,0]=2 143 B9R1.1 SC1=CC=C(C=C1)C#N AC050521 [0,1,0,0,0,0|2,0,1]=4 144 B9R1.2 BrC1=CC(=CC=C1)C#N AC190054 [0,1,0,0,0,0|2,0,1]=4 145 B9R1.2 BrC1=CC(C=O)=NC=C1 AC511173 [0,1,0,0,0,0|0,1,1]=3 146 B9R1.2 BrC1=CC=CC(=N1)C#N AC511480 [0,1,0,0,0,0|1,0,1]=3 147 B9R1.2 BrC1=CC=CC(C=O)=C1 AC500300 [0,1,0,0,0,0|1,1,1]=4 148 B9R1.2 BrC1=CC=CC(C=O)=N1 AC181501 [0,1,0,0,0,0|0,1,1]=3 149 B9R1.2 BrCC1=CC(Br)=CC=C1 AC510964 [0,1,0,0,0,0|2,0,0]=3 150 B9R1.2 BrCC1=CC=CC(I)=C1 AC510794 [0,1,0,0,0,0|2,0,0]=3 151 B9R1.2 C1=C(C=C(Cl)N=C1)CO LN00005270 [0,1,0,0,0,0|2,1,0]=4 152 B9R1.2 C1=CC(=NC(=C1)Br)C=O LN00008017 [0,1,0,0,0,0|0,1,1]=3 153 B9R1.2 C1=CC(=NC(=C1)Br)CO LN00009570 [0,1,0,0,0,0|0,1,0]=2 154 B9R1.2 C1=CN=C(C=C1Br)CN LN00173736 [0,1,0,0,0,0|1,0,0]=2 155 B9R1.2 CC1=CC(=NC=C1)C#N AC511539 [0,1,0,0,0,0|1,0,1]=3 156 B9R1.2 CC1=CC(C=O)=NC=C1 AC510820 [0,1,0,0,0,0|0,1,1]=3 157 B9R1.2 CC1=CC(CN)=CC=C1 AC500121 [0,1,0,0,0,0|2,0,0]=3 158 B9R1.2 CC1=CC=CC(=N1)C#N AC180851 [0,1,0,0,0,0|1,0,1]=3 159 B9R1.2 CC1=CC=CC(=N1)OC LN00002432 [0,1,0,0,0,0|2,0,0]=3 160 B9R1.2 CC1=CC=CC(C=O)=N1 AC510632 [0,1,0,0,0,0|0,1,1]=3 161 B9R1.2 CC1=CC=CC(CN)=N1 AC190009 [0,1,0,0,0,0|1,0,0]=2 162 B9R1.2 CC1=NC(=CC=C1)CO LN00224223 [0,1,0,0,0,0|0,1,0]=2 163 B9R1.2 CC1=NC(=NC=C1)C#N AC182722 [0,1,0,0,0,0|2,0,1]=4 164 B9R1.2 CCC1=CC(N)=NC=C1 AC310156 [0,1,0,0,0,0|3,0,0]=4 165 B9R1.2 CCC1=NC=CC(=C1)Br LN02122573 [0,1,0,0,0,0|1,0,0]=2 166 B9R1.2 CCC1=NC=NC(Cl)=C1 AC511297 [0,1,0,0,0,0|2,0,0]=3 167 B9R1.2 CNC1=CC(Br)=CC=C1 AC020132 [0,1,0,0,0,0|3,0,0]=4 168 B9R1.2 CNC1=CC(Cl)=NC=N1 AC190073 [0,1,0,0,0,0|3,0,0]=4 169 B9R1.2 COC1=CC=CC(Br)=N1 AC180668 [0,1,0,0,0,0|2,0,0]=3 170 B9R1.2 COC1=CC=CC(C)=N1 AC181782 [0,1,0,0,0,0|2,0,0]=3 171 B9R1.2 COC1=CC=CC(N)=C1 AC130321 [0,1,0,0,0,0|3,0,0]=4 172 B9R1.2 COC1=CC=CC(N)=N1 AC181869 [0,1,0,0,0,0|2,0,0]=3 173 B9R1.2 COC1=CC=CC(O)=C1 AC130088 [0,1,0,0,0,0|3,0,0]=4 174 B9R1.2 COC1=NC(Cl)=CC=C1 AC180147 [0,1,0,0,0,0|2,0,0]=3 175 B9R1.2 COC1=NC(Cl)=NC=C1 AC180869 [0,1,0,0,0,0|3,0,0]=4 176 B9R1.2 COC1=NC(F)=CC=C1 AC070088 [0,1,0,0,0,0|2,0,0]=3 177 B9R1.2 COC1=NC(N)=NC=C1 AC512040 [0,1,0,0,0,0|3,0,0]=4 178 B9R1.2 COC1=NC=CC(Br)=C1 AC182264 [0,1,0,0,0,0|2,0,0]=3 179 B9R1.2 COC1=NC=CC(Cl)=C1 AC512031 [0,1,0,0,0,0|2,0,0]=3 180 B9R1.2 COC1=NC=CC(N)=C1 AC182029 [0,1,0,0,0,0|2,0,0]=3 181 B9R1.2 COC1=NC=NC(Cl)=C1 AC181930 [0,1,0,0,0,0|3,0,0]=4 182 B9R1.2 CSC1=CC(N)=CC=C1 AC500237 [0,1,0,0,0,0|3,0,0]=4 183 B9R1.2 CSC1=NC(=O)C=CN1 LN00004447 [0,1,0,0,0,0|3,0,0]=4 184 B9R1.2 CSC1=NC=CC(=O)N1 AC181143 [0,1,0,0,0,0|3,0,0]=4 185 B9R1.2 CSC1=NC=CC(Br)=N1 AC182505 [0,1,0,0,0,0|3,0,0]=4 186 B9R1.2 CSC1=NC=CC(Cl)=N1 AC511714 [0,1,0,0,0,0|3,0,0]=4 187 B9R1.2 ClC1=CC(=CC=C1)C#C AC190257 [0,1,0,0,0,0|2,0,1]=4 188 B9R1.2 ClC1=CC(=CC=C1)C#N AC511790 [0,1,0,0,0,0|2,0,1]=4 189 B9R1.2 ClC1=CC(C=O)=CC=C1 AC511323 [0,1,0,0,0,0|1,1,1]=4 190 B9R1.2 ClC1=CC(C=O)=NC=C1 AC182139 [0,1,0,0,0,0|0,1,1]=3 191 B9R1.2 ClC1=CC(CBr)=CC=C1 AC180010 [0,1,0,0,0,0|2,0,0]=3 192 B9R1.2 ClCC1=CC(Cl)=NC=C1 AC182544 [0,1,0,0,0,0|3,0,0]=4 193 B9R1.2 FC1=CC(=CC=C1)C#C AC510708 [0,1,0,0,0,0|2,0,1]=4 194 B9R1.2 FC1=CC(C=O)=CC=C1 AC511704 [0,1,0,0,0,0|1,1,1]=4 195 B9R1.2 FC1=CC=CC(CBr)=C1 AC510779 [0,1,0,0,0,0|2,0,0]=3 196 B9R1.2 FC1=CC=CC(CCl)=C1 AC180011 [0,1,0,0,0,0|2,0,0]=3 197 B9R1.2 FC1=NC(C=O)=CC=C1 AC181585 [0,1,0,0,0,0|0,1,1]=3 198 B9R1.2 IC1=CC(C=O)=CC=C1 AC511778 [0,1,0,0,0,0|1,1,1]=4 199 B9R1.2 NC1=CC(=CC=C1)C#C AC500091 [0,1,0,0,0,0|2,0,1]=4 200 B9R1.2 NC1=CC=CC(=N1)C#N AC512078 [0,1,0,0,0,0|1,0,1]=3 201 B9R1.2 NC1=CC=CC(CO)=N1 AC190007 [0,1,0,0,0,0|0,1,0]=2 202 B9R1.2 NC1=NC=CC(=N1)C#N AC511291 [0,1,0,0,0,0|2,0,1]=4 203 B9R1.2 NC1=NC=CC(CO)=C1 AC181723 [0,1,0,0,0,0|2,1,0]=4 204 B9R1.2 NCC1=CC(Cl)=CC=C1 AC510764 [0,1,0,0,0,0|2,0,0]=3 205 B9R1.2 NCC1=CC=CC(Br)=C1 AC181165 [0,1,0,0,0,0|2,0,0]=3 206 B9R1.2 NCC1=CC=CC(I)=C1 AC180290 [0,1,0,0,0,0|2,0,0]=3 207 B9R1.2 NNC1=CC(Br)=CC=C1 AC511632 [0,1,0,0,0,0|3,0,0]=4 208 B9R1.2 NNC1=CC=CC(Br)=N1 AC182441 [0,1,0,0,0,0|2,0,0]=3 209 B9R1.2 NNC1=CC=CC(F)=C1 AC500291 [0,1,0,0,0,0|3,0,0]=4 210 B9R1.2 OC1=CC(=CC=C1)C#N AC190275 [0,1,0,0,0,0|2,0,1]=4 211 B9R1.2 OC1=CC=CC(C=O)=C1 AC130074 [0,1,0,0,0,0|1,1,1]=4 212 B9R1.2 OCC1=CC(Br)=CN=C1 AC500329 [0,1,0,0,0,0|2,1,0]=4 213 B9R1.2 OCC1=CC(Br)=NC=C1 AC070124 [0,1,0,0,0,0|2,1,0]=4 214 B9R1.2 OCC1=CC(Cl)=NC=C1 AC182075 [0,1,0,0,0,0|2,1,0]=4 215 B9R1.2 OCC1=CC=CC(Br)=C1 AC511533 [0,1,0,0,0,0|1,1,0]=3 216 B9R1.2 OCC1=CC=CC(Br)=N1 AC181774 [0,1,0,0,0,0|0,1,0]=2 217 B9R1.2 OCC1=NC(Cl)=CC=C1 AC182154 [0,1,0,0,0,0|0,1,0]=2 218 B9R1.2 OCC1=NC(Cl)=CC=C1 AC182330 [0,1,0,0,0,0|0,1,0]=2 219 B9R1.2 OCC1=NC=CC(Cl)=C1 AC182138 [0,1,0,0,0,0|0,1,0]=2 220 B9R1.6 CC(=C)C1=CC=CC=C1 AC190225 [0,1,0,0,0,0|2,0,1]=4 221 B9R1.6 CC(=O)C1=CN=CC=N1 AC510694 [0,1,0,0,0,0|1,1,1]=4 222 B9R1.6 CC(=O)C1=NC=CC=C1 AC131564 [0,1,0,0,0,0|0,1,1]=3 223 B9R1.6 CC(=O)C1=NC=CC=N1 AC182273 [0,1,0,0,0,0|1,1,1]=4 224 B9R1.6 CC(=O)C1=NC=NC=C1 LN00221164 [0,1,0,0,0,0|1,1,1]=4 225 B9R1.6 CC(N)C1=CC=CN=C1 AC170099 [0,1,0,0,0,0|3,0,0]=4 226 B9R1.6 CC(N)C1=CC=NC=C1 AC170001 [0,1,0,0,0,0|3,0,0]=4 227 B9R1.6 CC(N)C1=NC=CC=C1 AC021461 [0,1,0,0,0,0|1,0,0]=2 228 B9R1.6 CC(O)C1=NC=CC=C1 AC181953 [0,1,0,0,0,0|0,1,0]=2 229 B9R1.6 C[C@@H](N)C1=NC=CC=C1 AC021462 [0,1,0,0,0,0|1,0,0]=2 230 B9R1.6 C[C@@H](O)C1=CC=CC=C1 AC021442 [0,1,0,0,0,0|1,1,0]=3 231 B9R1.6 C[C@H](N)C1=NC=CC=C1 AC170065 [0,1,0,0,0,0|1,0,0]=2 232 B9R1.6 NC(=N)C1=CC=CC=C1 AC511551 [0,1,0,0,0,0|2,0,1]=4 233 B9R1.6 NC(=N)C1=NC=CC=N1 AC021194 [0,1,0,0,0,0|2,0,1]=4 234 B9R1.6 NC(=O)C1=NC=CN=C1 HY-B0271 [0,1,0,0,0,0|1,1,1]=4 235 B9R1.6 NC(=S)C1=NC=CC=C1 AC180667 [0,1,0,0,0,0|0,0,2]=3 236 B9R1.6 OB(O)C1=CC=CC=C1 AC130043 [0,1,0,0,0,0|2,1,0]=4 237 B9R1.6 OC(=O)C1=NC=CC=C1 AC190264 [0,1,0,0,0,0|0,1,1]=3 238 B9R1.6 OC(=O)C1=NC=CC=N1 AC181135 [0,1,0,0,0,0|1,1,1]=4 239 B9R1.6 OC(=O)C1=NC=CN=C1 AC021096 [0,1,0,0,0,0|1,1,1]=4 240 B9R1.6 OC(=O)C1=NC=NC=C1 AC180734 [0,1,0,0,0,0|1,1,1]=4 241 B9R1.6 OC(=O)C1=NN=CC=C1 AC511154 [0,1,0,0,0,0|1,1,1]=4 242 B9R1.8 BrC#CC1=CC=CC=C1 AC511272 [0,1,0,0,0,0|2,0,1]=4 243 B9R1.8 BrCCC1=NC=CC=C1 AC182249 [0,1,0,0,0,0|1,0,0]=2 244 B9R1.8 CNCC1=CC=CC=C1 AC500163 [0,1,0,0,0,0|2,0,0]=3 245 B9R1.8 CNCC1=NC=CC=C1 LN00001150 [0,1,0,0,0,0|1,0,0]=2 246 B9R1.8 NCCC1=CC=CN=C1 AC500060 [0,1,0,0,0,0|3,0,0]=4 247 B9R1.8 NNCC1=CC=CC=C1 AC500254 [0,1,0,0,0,0|2,0,0]=3 248 B9R1.8 OCCC1=CC=NC=C1 AC511725 [0,1,0,0,0,0|2,1,0]=4 249 B9R1.8 OCCC1=NC=CN=C1 AC051081 [0,1,0,0,0,0|1,1,0]=3 250 B9R1.8 ONCC1=CC=CC=C1 AC180467 [0,1,0,0,0,0|1,1,0]=3 251 B9R1.8 S=C=NC1=NC=CC=C1 AC020652 [0,1,0,0,0,0|0,0,2]=3 252 B9R1.15 BrC1=C(C=O)C=CC=C1 AC190053 [0,1,0,0,0,0|1,1,1]=4 253 B9R1.15 BrC1=CC=CC=C1C#N AC500253 [0,1,0,0,0,0|2,0,1]=4 254 B9R1.15 BrC1=CC=CN=C1C#N AC181499 [0,1,0,0,0,0|1,0,1]=3 255 B9R1.15 BrCC1=C(Br)C=CC=C1 AC500309 [0,1,0,0,0,0|2,0,0]=3 256 B9R1.15 BrCC1=C(I)C=CC=C1 AC510755 [0,1,0,0,0,0|2,0,0]=3 257 B9R1.15 C1=CC(=C(C=O)N=C1)O LN00121425 [0,1,0,0,0,0|0,1,1]=3 258 B9R1.15 C1=CC=C(C(=C1)CO)Br LN00009848 [0,1,0,0,0,0|1,1,0]=3 259 B9R1.15 CC1=CC=CC=C1C=O AC511038 [0,1,0,0,0,0|1,1,1]=4 260 B9R1.15 CC1=CC=CC=C1CN AC190306 [0,1,0,0,0,0|2,0,0]=3 261 B9R1.15 CC1=CC=CN=C1C=O AC181444 [0,1,0,0,0,0|0,1,1]=3 262 B9R1.15 CC1=NC=CC=C1CO LN00004952 [0,1,0,0,0,0|2,1,0]=4 263 B9R1.15 CCC1=CC=CC=C1Br AC500247 [0,1,0,0,0,0|2,0,0]=3 264 B9R1.15 CCC1=NC=CC=C1O LN00004884 [0,1,0,0,0,0|1,0,0]=2 265 B9R1.15 CNC1=C(O)C=CC=C1 AC512071 [0,1,0,0,0,0|3,0,0]=4 266 B9R1.15 CNC1=CC=CC=C1N AC511708 [0,1,0,0,0,0|3,0,0]=4 267 B9R1.15 CNC1=CC=CC=C1N LN01309502 [0,1,0,0,0,0|3,0,0]=4 268 B9R1.15 COC1=C(Br)C=CC=C1 AC510848 [0,1,0,0,0,0|3,0,0]=4 269 B9R1.15 COC1=C(I)C=CC=C1 AC510814 [0,1,0,0,0,0|3,0,0]=4 270 B9R1.15 COC1=CC=CC=C1O AC190186 [0,1,0,0,0,0|3,0,0]=4 271 B9R1.15 COC1=NC=CC=C1Br AC181597 [0,1,0,0,0,0|2,0,0]=3 272 B9R1.15 COC1=NC=CC=C1Cl AC181590 [0,1,0,0,0,0|2,0,0]=3 273 B9R1.15 COC1=NC=CC=C1I AC181562 [0,1,0,0,0,0|2,0,0]=3 274 B9R1.15 COC1=NC=CN=C1Cl AC512133 [0,1,0,0,0,0|3,0,0]=4 275 B9R1.15 COC1=NC=NC=C1Br AC511947 [0,1,0,0,0,0|3,0,0]=4 276 B9R1.15 COC1=NC=NC=C1Cl AC070067 [0,1,0,0,0,0|3,0,0]=4 277 B9R1.15 ClC1=C(C=CC=C1)C#C AC180982 [0,1,0,0,0,0|2,0,1]=4 278 B9R1.15 ClC1=CC=CC=C1C=O AC190062 [0,1,0,0,0,0|1,1,1]=4 279 B9R1.15 ClC1=CC=CC=C1CBr AC180009 [0,1,0,0,0,0|2,0,0]=3 280 B9R1.15 ClC1=CC=CN=C1C#N AC181716 [0,1,0,0,0,0|1,0,1]=3 281 B9R1.15 ClC1=CC=CN=C1C=O AC511242 [0,1,0,0,0,0|0,1,1]=3 282 B9R1.15 ClC1=NC=CN=C1C#N AC170102 [0,1,0,0,0,0|2,0,1]=4 283 B9R1.15 FC1=C(C=CC=C1)C#N AC511685 [0,1,0,0,0,0|2,0,1]=4 284 B9R1.15 FC1=C(CBr)C=CC=C1 AC510775 [0,1,0,0,0,0|2,0,0]=3 285 B9R1.15 FC1=CC=CC=C1C=O AC510338 [0,1,0,0,0,0|1,1,1]=4 286 B9R1.15 FC1=CC=CN=C1C#N AC511907 [0,1,0,0,0,0|1,0,1]=3 287 B9R1.15 FC1=CC=CN=C1C=O AC100101 [0,1,0,0,0,0|0,1,1]=3 288 B9R1.15 NC1=C(C=O)C=CC=C1 AC510813 [0,1,0,0,0,0|1,1,1]=4 289 B9R1.15 NC1=C(CO)C=CC=N1 AC181888 [0,1,0,0,0,0|2,1,0]=4 290 B9R1.15 NC1=CC=CC=C1CO AC511831 [0,1,0,0,0,0|1,1,0]=3 291 B9R1.15 NC1=CC=CN=C1C#N AC181442 [0,1,0,0,0,0|1,0,1]=3 292 B9R1.15 NC1=NC=CN=C1C#N AC181389 [0,1,0,0,0,0|2,0,1]=4 293 B9R1.15 NCC1=C(Br)C=CC=C1 AC500061 [0,1,0,0,0,0|2,0,0]=3 294 B9R1.15 NCC1=C(F)C=CC=C1 AC190246 [0,1,0,0,0,0|2,0,0]=3 295 B9R1.15 NCC1=CC=CC=C1O AC181137 [0,1,0,0,0,0|2,0,0]=3 296 B9R1.15 NCC1=NC=CN=C1Cl AC182522 [0,1,0,0,0,0|2,0,0]=3 297 B9R1.15 NNC1=CC=CC=C1Cl AC180294 [0,1,0,0,0,0|3,0,0]=4 298 B9R1.15 NNC1=NC=CC=C1Cl AC181379 [0,1,0,0,0,0|2,0,0]=3 299 B9R1.15 OC1=C(C=CC=C1)C#N AC511758 [0,1,0,0,0,0|2,0,1]=4 300 B9R1.15 OC1=C(C=O)C=CC=C1 AC190207 [0,1,0,0,0,0|1,1,1]=4 301 B9R1.15 OC1=CC=CN=C1C#N AC511818 [0,1,0,0,0,0|1,0,1]=3 302 B9R1.15 OC1=CC=CN=C1C=O AC270030 [0,1,0,0,0,0|0,1,1]=3 303 B9R1.15 OCC1=C(Br)C=NC=C1 AC182666 [0,1,0,0,0,0|2,1,0]=4 304 B9R1.15 OCC1=C(F)C=NC=C1 AC160575 [0,1,0,0,0,0|2,1,0]=4 305 B9R1.15 OCC1=CC=CC=C1Br AC230033 [0,1,0,0,0,0|1,1,0]=3 306 B9R1.15 OCC1=CC=CC=C1I AC511037 [0,1,0,0,0,0|1,1,0]=3 307 B9R1.15 OCC1=CC=CC=C1O HY-B1419 [0,1,0,0,0,0|1,1,0]=3 308 B9R1.15 OCC1=CC=CN=C1Cl AC181378 [0,1,0,0,0,0|2,1,0]=4 309 B9R1.15 OCC1=CC=CN=C1F AC181533 [0,1,0,0,0,0|2,1,0]=4 310 B7R1.1 BrCC1=CC=NO1 AC050627 [0,0,0,0,1,0|3,0,0]=4 311 B7R1.1 C#CC1=CC=CS1 LN00184075 [0,0,0,0,1,0|2,0,1]=4 312 B7R1.1 C#CC1=CC=C[CH-]1 AC511482 [0,0,0,0,1,0|1,0,2]=4 313 B7R1.1 C#CC1=CC=C[CH]1 LN00196081 [0,0,0,0,1,0|1,0,2]=4 314 B7R1.1 C#CC1=CSC=C1 AC310135 [0,0,0,0,1,0|2,0,1]=4 315 B7R1.1 C(C1=NC=NN1)O LN02218391 [0,0,0,0,1,0|2,1,0]=4 316 B7R1.1 C1=CC=C([CH-]1)CO LN02135120 [0,0,0,0,1,0|0,1,1]=3 317 B7R1.1 C1=CNC(=C1)C=O LN00008368 [0,0,0,0,1,0|0,1,2]=4 318 B7R1.1 C1=CON=C1CN LN00111972 [0,0,0,0,1,0|2,0,0]=3 319 B7R1.1 C=CC1=NC=CN1 AC280004 [0,0,0,0,1,0|2,0,1]=4 320 B7R1.1 CCN1C=NC=N1 LN00184923 [0,0,0,0,1,0|3,0,0]=4 321 B7R1.1 CNC1=NC=CO1 LN00002575 [0,0,0,0,1,0|3,0,0]=4 322 B7R1.1 CNC1=NOC=C1 LN00001263 [0,0,0,0,1,0|3,0,0]=4 323 B7R1.1 CNC1=NOC=C1 LN00002470 [0,0,0,0,1,0|3,0,0]=4 324 B7R1.1 COC1=CC=CS1 AC130135 [0,0,0,0,1,0|3,0,0]=4 325 B7R1.1 COC1=CSC=C1 AC511563 [0,0,0,0,1,0|3,0,0]=4 326 B7R1.1 ClCC1=NC=CO1 AC050434 [0,0,0,0,1,0|2,0,0]=3 327 B7R1.1 N#CC1=CC=CN1 AC180934 [0,0,0,0,1,0|1,0,2]=4 328 B7R1.1 N#CC1=CC=CS1 AC511049 [0,0,0,0,1,0|2,0,1]=4 329 B7R1.1 N#CC1=NC=CS1 AC182437 [0,0,0,0,1,0|2,0,1]=4 330 B7R1.1 N#CC1=NNC=C1 AC511213 [0,0,0,0,1,0|2,0,1]=4 331 B7R1.1 NCC1=CC=CN1 AC182788 [0,0,0,0,1,0|1,0,1]=3 332 B7R1.1 NCC1=CC=CS1 AC510712 [0,0,0,0,1,0|2,0,0]=3 333 B7R1.1 NCC1=CNN=C1 AC050524 [0,0,0,0,1,0|3,0,0]=4 334 B7R1.1 NCC1=CNN=N1 AC010210 [0,0,0,0,1,0|3,0,0]=4 335 B7R1.1 NCC1=CSC=C1 AC181241 [0,0,0,0,1,0|2,0,0]=3 336 B7R1.1 O=CC1=CC=CN1 AC180090 [0,0,0,0,1,0|0,1,2]=4 337 B7R1.1 O=CC1=CC=CS1 AC511013 [0,0,0,0,1,0|1,1,1]=4 338 B7R1.1 O=CC1=CNC=C1 AC280042 [0,0,0,0,1,0|1,1,1]=4 339 B7R1.1 O=CC1=CNC=N1 AC180818 [0,0,0,0,1,0|1,1,1]=4 340 B7R1.1 O=CC1=CSC=C1 AC180098 [0,0,0,0,1,0|1,1,1]=4 341 B7R1.1 O=CC1=CSC=N1 AC511667 [0,0,0,0,1,0|1,1,1]=4 342 B7R1.1 O=CC1=NC=CS1 AC180755 [0,0,0,0,1,0|1,1,1]=4 343 B7R1.1 O=CC1=NNC=C1 AC200098 [0,0,0,0,1,0|1,1,1]=4 344 B7R1.1 OCC1=CC=NO1 AC050733 [0,0,0,0,1,0|2,1,0]=4 345 B7R1.1 OCC1=CN=CN1 AC500303 [0,0,0,0,1,0|1,1,1]=4 346 B7R1.1 OCC1=CN=CO1 AC182363 [0,0,0,0,1,0|2,1,0]=4 347 B7R1.1 OCC1=CNN=C1 AC511994 [0,0,0,0,1,0|2,1,0]=4 348 B7R1.1 OCC1=COC=C1 AC510770 [0,0,0,0,1,0|1,1,0]=3 349 B7R1.1 OCC1=CON=C1 AC051093 [0,0,0,0,1,0|2,1,0]=4 350 B7R1.1 OCC1=CSC=C1 AC180309 [0,0,0,0,1,0|1,1,0]=3 351 B7R1.1 OCC1=CSC=N1 AC190085 [0,0,0,0,1,0|1,1,0]=3 352 B7R1.1 OCC1=NOC=C1 AC190021 [0,0,0,0,1,0|1,1,0]=3 353 B6R0.6 C/C=C/C=C/CO AC220181 [1,0,1,0,0,0|0,1,1]=4 354 B6R1.1 C1=CC=NC=C1 AC130348 [2,0,0,0,0,0|0,0,0]=2 355 B6R1.1 C1=CC=NN=C1 AC510717 [2,0,0,0,0,0|1,0,0]=3 356 B6R1.1 C1=C[C-]=NC=C1 AC310091 [2,0,0,0,0,0|0,0,1]=3 357 B6R1.1 C1=NC=NC=N1 AC511939 [2,0,0,0,0,0|2,0,0]=4 358 B8R1.3 BrC1=CC=C(I)C=C1 AC510858 [1,1,0,0,0,0|2,0,0]=4 359 B8R1.3 BrC1=CN=C(Br)C=C1 AC180142 [1,1,0,0,0,0|1,0,0]=3 360 B8R1.3 BrC1=CN=C(Br)C=N1 AC182208 [1,1,0,0,0,0|2,0,0]=4 361 B8R1.3 BrC1=CN=C(Br)N=C1 AC182256 [1,1,0,0,0,0|2,0,0]=4 362 B8R1.3 BrC1=CN=C(I)C=C1 AC181090 [1,1,0,0,0,0|1,0,0]=3 363 B8R1.3 BrC1=CN=C(I)N=C1 AC181212 [1,1,0,0,0,0|2,0,0]=4 364 B8R1.3 BrC1=CNC(=O)N=C1 AC180917 [1,1,0,0,0,0|1,1,0]=4 365 B8R1.3 BrC1=NC=C(I)C=C1 AC181587 [1,1,0,0,0,0|1,0,0]=3 366 B8R1.3 C1=C(Br)N=CC(=N1)Br LN00010056 [1,1,0,0,0,0|2,0,0]=4 367 B8R1.3 C1=C(C=NC(=N1)F)Br LN00137103 [1,1,0,0,0,0|2,0,0]=4 368 B8R1.3 C1=CC(=NC=C1F)Br LN00009037 [1,1,0,0,0,0|1,0,0]=3 369 B8R1.3 C1=CC(=NC=C1I)O LN00124595 [1,1,0,0,0,0|0,1,0]=3 370 B8R1.3 C1=CC(=NC=C1N)Cl LN00008750 [1,1,0,0,0,0|1,0,0]=3 371 B8R1.3 C1=CC(=NC=C1N)F LN00120919 [1,1,0,0,0,0|1,0,0]=3 372 B8R1.3 C1=CC(=NC=C1N)O LN00008570 [1,1,0,0,0,0|0,1,0]=3 373 B8R1.3 C1=CC(=NC=C1O)Br LN00007949 [1,1,0,0,0,0|1,0,0]=3 374 B8R1.3 C1=CC(=NN=C1Br)Br LN00169106 [1,1,0,0,0,0|2,0,0]=4 375 B8R1.3 CC1=CC=C(Cl)N=N1 AC160040 [1,1,0,0,0,0|1,0,0]=3 376 B8R1.3 CC1=CC=C(I)C=C1 AC510888 [1,1,0,0,0,0|1,0,0]=3 377 B8R1.3 CC1=CC=C(O)C=C1 HY-B0969 [1,1,0,0,0,0|1,0,0]=3 378 B8R1.3 CC1=CC=C(O)C=N1 AC511040 [1,1,0,0,0,0|0,0,0]=2 379 B8R1.3 CC1=CC=[N+](C=C1)[O-] LN00195354 [1,1,0,0,0,0|2,0,0]=4 380 B8R1.3 CC1=CN=C(Br)C=C1 AC500069 [1,1,0,0,0,0|1,0,0]=3 381 B8R1.3 CC1=CN=C(Br)N=C1 AC511900 [1,1,0,0,0,0|2,0,0]=4 382 B8R1.3 CC1=CN=C(Cl)C=C1 AC511572 [1,1,0,0,0,0|1,0,0]=3 383 B8R1.3 CC1=CN=C(Cl)C=N1 AC510859 [1,1,0,0,0,0|1,0,0]=3 384 B8R1.3 CC1=CN=C(Cl)N=C1 AC182402 [1,1,0,0,0,0|2,0,0]=4 385 B8R1.3 CC1=CN=C(F)C=C1 AC510699 [1,1,0,0,0,0|1,0,0]=3 386 B8R1.3 CC1=CN=C(N)C=C1 AC180158 [1,1,0,0,0,0|1,0,0]=3 387 B8R1.3 CC1=CN=C(N)C=N1 AC182280 [1,1,0,0,0,0|1,0,0]=3 388 B8R1.3 CC1=CNC(=O)C=C1 LN00005245 [1,1,0,0,0,0|0,1,1]=4 389 B8R1.3 CC1=NC=C(Br)C=N1 AC511167 [1,1,0,0,0,0|1,0,0]=3 390 B8R1.3 CC1=NC=C(C=C1)Br LN00129792 [1,1,0,0,0,0|0,0,0]=2 391 B8R1.3 CC1=NC=C(Cl)C=N1 AC040054 [1,1,0,0,0,0|1,0,0]=3 392 B8R1.3 CC1=NC=C(O)C=N1 AC511982 [1,1,0,0,0,0|1,0,0]=3 393 B8R1.3 CC1=NN=C(N)C=C1 AC181256 [1,1,0,0,0,0|1,0,0]=3 394 B8R1.3 CC1=NNC(=O)C=C1 AC180424 [1,1,0,0,0,0|1,0,0]=3 395 B8R1.3 ClC1=CC=C(I)C=C1 AC510909 [1,1,0,0,0,0|2,0,0]=4 396 B8R1.3 ClC1=CN=C(Br)C=C1 AC180923 [1,1,0,0,0,0|1,0,0]=3 397 B8R1.3 ClC1=CN=C(Br)C=N1 AC511896 [1,1,0,0,0,0|2,0,0]=4 398 B8R1.3 ClC1=CN=C(Cl)N=C1 AC020197 [1,1,0,0,0,0|2,0,0]=4 399 B8R1.3 ClC1=CN=C(I)N=C1 AC182215 [1,1,0,0,0,0|2,0,0]=4 400 B8R1.3 ClC1=NC=C(Br)C=C1 AC181223 [1,1,0,0,0,0|1,0,0]=3 401 B8R1.3 ClC1=NC=C(Br)C=N1 AC181040 [1,1,0,0,0,0|2,0,0]=4 402 B8R1.3 ClC1=NC=C(I)C=C1 AC181366 [1,1,0,0,0,0|1,0,0]=3 403 B8R1.3 ClC1=NC=C(I)C=N1 AC220159 [1,1,0,0,0,0|2,0,0]=4 404 B8R1.3 FC1=CC=C(Br)C=C1 AC190157 [1,1,0,0,0,0|2,0,0]=4 405 B8R1.3 FC1=CC=C(F)N=C1 AC181803 [1,1,0,0,0,0|1,0,0]=3 406 B8R1.3 FC1=CC=C(I)C=C1 AC190187 [1,1,0,0,0,0|2,0,0]=4 407 B8R1.3 FC1=CN=C(Br)C=C1 AC510763 [1,1,0,0,0,0|1,0,0]=3 408 B8R1.3 FC1=CN=C(Br)N=C1 AC020971 [1,1,0,0,0,0|2,0,0]=4 409 B8R1.3 FC1=CN=C(Cl)C=C1 AC510723 [1,1,0,0,0,0|1,0,0]=3 410 B8R1.3 FC1=CN=C(Cl)N=C1 AC181698 [1,1,0,0,0,0|2,0,0]=4 411 B8R1.3 FC1=NC=C(Br)C=C1 AC181369 [1,1,0,0,0,0|1,0,0]=3 412 B8R1.3 FC1=NC=C(I)C=C1 AC500230 [1,1,0,0,0,0|1,0,0]=3 413 B8R1.3 IC1=CC=C(I)C=C1 AC510889 [1,1,0,0,0,0|2,0,0]=4 414 B8R1.3 NC1=CC=C(Br)N=C1 AC511492 [1,1,0,0,0,0|1,0,0]=3 415 B8R1.3 NC1=CC=C(Cl)N=C1 AC510819 [1,1,0,0,0,0|1,0,0]=3 416 B8R1.3 NC1=CC=C(F)N=C1 AC181270 [1,1,0,0,0,0|1,0,0]=3 417 B8R1.3 NC1=CC=C(I)C=C1 AC510828 [1,1,0,0,0,0|2,0,0]=4 418 B8R1.3 NC1=NC=C(Br)C=C1 AC180157 [1,1,0,0,0,0|1,0,0]=3 419 B8R1.3 NC1=NC=C(Br)C=N1 AC180276 [1,1,0,0,0,0|2,0,0]=4 420 B8R1.3 NC1=NC=C(Cl)C=C1 AC500167 [1,1,0,0,0,0|1,0,0]=3 421 B8R1.3 NC1=NC=C(Cl)C=N1 AC510830 [1,1,0,0,0,0|2,0,0]=4 422 B8R1.3 NC1=NC=C(I)C=C1 AC511594 [1,1,0,0,0,0|1,0,0]=3 423 B8R1.3 NC1=NC=C(I)N=C1 AC182518 [1,1,0,0,0,0|2,0,0]=4 424 B8R1.3 NC1=NN=C(Br)C=C1 AC190133 [1,1,0,0,0,0|2,0,0]=4 425 B8R1.3 O=C1C=CC(=O)N=N1 AC050547 [1,1,0,0,0,0|1,1,0]=4 426 B8R1.3 OC1=CC=C(Br)N=C1 AC181802 [1,1,0,0,0,0|1,0,0]=3 427 B8R1.3 OC1=CC=C(Cl)N=C1 AC130205 [1,1,0,0,0,0|1,0,0]=3 428 B8R1.3 OC1=CC=C(F)C=C1 AC500325 [1,1,0,0,0,0|1,1,0]=4 429 B8R1.3 OC1=CC=C(O)C=C1 HY-B0951 [1,1,0,0,0,0|1,1,0]=4 430 B8R1.3 OC1=CN=C(Br)C=N1 AC181950 [1,1,0,0,0,0|1,1,0]=4 431 B8R1.3 OC1=CN=C(Cl)N=C1 AC500090 [1,1,0,0,0,0|2,0,0]=4 432 B8R1.3 OC1=CNC(=O)C=C1 AC511255 [1,1,0,0,0,0|0,1,1]=4 433 B8R1.3 OC1=NC=C(Br)C=C1 AC180928 [1,1,0,0,0,0|0,1,0]=3 434 B8R1.4 BrC1=CC(=O)NC=C1 AC180927 [1,1,0,0,0,0|0,1,1]=4 435 B8R1.4 BrC1=CC(Br)=NC=C1 AC181322 [1,1,0,0,0,0|1,0,0]=3 436 B8R1.4 BrC1=CC=CC(Br)=N1 AC510357 [1,1,0,0,0,0|1,0,0]=3 437 B8R1.4 BrC1=CC=CC(I)=C1 AC500036 [1,1,0,0,0,0|2,0,0]=4 438 B8R1.4 BrC1=CN=CC(Br)=N1 AC182478 [1,1,0,0,0,0|2,0,0]=4 439 B8R1.4 C1=CC(=CC(=C1)N)I LN00124661 [1,1,0,0,0,0|2,0,0]=4 440 B8R1.4 C1=CC(=NC(=C1)F)Br LN00125757 [1,1,0,0,0,0|1,0,0]=3 441 B8R1.4 C1=CC(=NC(=C1)N)Cl LN00008045 [1,1,0,0,0,0|1,0,0]=3 442 B8R1.4 C1=CC(=NC(=C1)N)I LN00128490 [1,1,0,0,0,0|1,0,0]=3 443 B8R1.4 C1=CN=C(C=C1Br)Cl LN00007826 [1,1,0,0,0,0|1,0,0]=3 444 B8R1.4 C1=CN=C(C=C1Cl)Br LN00170028 [1,1,0,0,0,0|1,0,0]=3 445 B8R1.4 C1=CNC(=N)C=C1Br LN02134851 [1,1,0,0,0,0|1,0,1]=4 446 B8R1.4 C1=CNC(=N)C=C1Cl LN00008885 [1,1,0,0,0,0|1,0,1]=4 447 B8R1.4 CC1=CC(=CN=C1)Br LN00008870 [1,1,0,0,0,0|2,0,0]=4 448 B8R1.4 CC1=CC(=O)NC=N1 AC170050 [1,1,0,0,0,0|1,0,0]=3 449 B8R1.4 CC1=CC(Br)=NC=C1 AC510792 [1,1,0,0,0,0|1,0,0]=3 450 B8R1.4 CC1=CC(C)=NC=N1 AC180136 [1,1,0,0,0,0|1,0,0]=3 451 B8R1.4 CC1=CC(F)=NC=C1 AC511705 [1,1,0,0,0,0|1,0,0]=3 452 B8R1.4 CC1=CC(N)=NC=C1 AC190055 [1,1,0,0,0,0|1,0,0]=3 453 B8R1.4 CC1=CC=CC(F)=N1 AC511694 [1,1,0,0,0,0|0,0,0]=2 454 B8R1.4 CC1=CC=CC(N)=N1 AC500239 [1,1,0,0,0,0|0,0,0]=2 455 B8R1.4 CC1=CC=NC(Cl)=N1 AC180532 [1,1,0,0,0,0|1,0,0]=3 456 B8R1.4 CC1=CN=CC(Br)=C1 AC181288 [1,1,0,0,0,0|2,0,0]=4 457 B8R1.4 CC1=CN=CC(Br)=N1 AC511942 [1,1,0,0,0,0|1,0,0]=3 458 B8R1.4 CC1=CN=CC(Cl)=N1 AC030143 [1,1,0,0,0,0|1,0,0]=3 459 B8R1.4 CC1=CN=CC(N)=C1 AC181783 [1,1,0,0,0,0|2,0,0]=4 460 B8R1.4 CC1=CN=CC(N)=N1 AC511922 [1,1,0,0,0,0|1,0,0]=3 461 B8R1.4 CC1=CN=CC(O)=N1 AC182347 [1,1,0,0,0,0|1,0,0]=3 462 B8R1.4 CC1=NC(Br)=CC=C1 AC180435 [1,1,0,0,0,0|0,0,0]=2 463 B8R1.4 CC1=NC(Cl)=CC=C1 AC180145 [1,1,0,0,0,0|0,0,0]=2 464 B8R1.4 CC1=NC=CC(Br)=C1 AC500262 [1,1,0,0,0,0|0,0,0]=2 465 B8R1.4 CC1=NC=CC(Cl)=C1 AC500323 [1,1,0,0,0,0|0,0,0]=2 466 B8R1.4 CC1=NC=CC(F)=C1 AC511870 [1,1,0,0,0,0|0,0,0]=2 467 B8R1.4 CC1=NC=CC(N)=C1 AC180846 [1,1,0,0,0,0|0,0,0]=2 468 B8R1.4 CC1=NC=NC(Cl)=C1 AC181467 [1,1,0,0,0,0|1,0,0]=3 469 B8R1.4 CC1=NC=NC(N)=C1 AC180849 [1,1,0,0,0,0|1,0,0]=3 470 B8R1.4 C[N+]1=CC(Br)=CC=C1 AC160389 [1,1,0,0,0,0|2,0,0]=4 471 B8R1.4 ClC1=CC(=O)N=CN1 AC180918 [1,1,0,0,0,0|1,1,0]=4 472 B8R1.4 ClC1=CC(Cl)=NC=C1 AC130945 [1,1,0,0,0,0|1,0,0]=3 473 B8R1.4 ClC1=CC(Cl)=NC=N1 AC500182 [1,1,0,0,0,0|2,0,0]=4 474 B8R1.4 ClC1=CC(Cl)=NN=C1 AC182577 [1,1,0,0,0,0|2,0,0]=4 475 B8R1.4 ClC1=CC(I)=CC=C1 AC510893 [1,1,0,0,0,0|2,0,0]=4 476 B8R1.4 ClC1=CC=NC(Br)=C1 AC181743 [1,1,0,0,0,0|1,0,0]=3 477 B8R1.4 ClC1=NC(Cl)=NC=C1 AC021699 [1,1,0,0,0,0|2,0,0]=4 478 B8R1.4 ClC1=NC=CC(Br)=C1 AC181742 [1,1,0,0,0,0|1,0,0]=3 479 B8R1.4 ClC1=NC=CC(Br)=N1 AC050694 [1,1,0,0,0,0|2,0,0]=4 480 B8R1.4 ClC1=NC=CC(I)=C1 AC181346 [1,1,0,0,0,0|1,0,0]=3 481 B8R1.4 ClC1=NC=CC(I)=N1 AC051162 [1,1,0,0,0,0|2,0,0]=4 482 B8R1.4 FC1=CC(Br)=NC=C1 AC182403 [1,1,0,0,0,0|1,0,0]=3 483 B8R1.4 FC1=CC(F)=NC=C1 AC511673 [1,1,0,0,0,0|1,0,0]=3 484 B8R1.4 FC1=CC(I)=CC=C1 AC190228 [1,1,0,0,0,0|2,0,0]=4 485 B8R1.4 FC1=CC=NC(Cl)=C1 AC511674 [1,1,0,0,0,0|1,0,0]=3 486 B8R1.4 FC1=NC(Br)=CC=C1 AC181591 [1,1,0,0,0,0|1,0,0]=3 487 B8R1.4 FC1=NC=CC(Br)=C1 AC181781 [1,1,0,0,0,0|1,0,0]=3 488 B8R1.4 FC1=NC=CC(I)=C1 AC511608 [1,1,0,0,0,0|1,0,0]=3 489 B8R1.4 IC1=CC(=O)NC=C1 AC190024 [1,1,0,0,0,0|0,1,1]=4 490 B8R1.4 IC1=CN=CC(I)=N1 AC182421 [1,1,0,0,0,0|2,0,0]=4 491 B8R1.4 NC1=CC(=O)N=CN1 AC180501 [1,1,0,0,0,0|1,1,0]=4 492 B8R1.4 NC1=CC(Br)=CC=C1 AC130115 [1,1,0,0,0,0|2,0,0]=4 493 B8R1.4 NC1=CC(Br)=CC=N1 AC181286 [1,1,0,0,0,0|1,0,0]=3 494 B8R1.4 NC1=CC(Br)=NC=C1 AC500084 [1,1,0,0,0,0|1,0,0]=3 495 B8R1.4 NC1=CC(Cl)=NC=C1 AC130302 [1,1,0,0,0,0|1,0,0]=3 496 B8R1.4 NC1=CC(Cl)=NN=C1 AC512083 [1,1,0,0,0,0|2,0,0]=4 497 B8R1.4 NC1=CC(F)=NC=C1 AC510679 [1,1,0,0,0,0|1,0,0]=3 498 B8R1.4 NC1=CC(I)=CC=C1 AC510894 [1,1,0,0,0,0|2,0,0]=4 499 B8R1.4 NC1=CC(N)=NC=C1 AC511205 [1,1,0,0,0,0|1,0,0]=3 500 B8R1.4 NC1=CC=CC(Br)=N1 AC180750 [1,1,0,0,0,0|1,0,0]=3 501 B8R1.4 NC1=CC=CC(F)=N1 AC181805 [1,1,0,0,0,0|1,0,0]=3 502 B8R1.4 NC1=CN=CC(Cl)=N1 AC180534 [1,1,0,0,0,0|2,0,0]=4 503 B8R1.4 NC1=NC(=O)C=CN1 AC180543 [1,1,0,0,0,0|1,1,0]=4 504 B8R1.4 NC1=NC(Br)=CN=C1 AC511206 [1,1,0,0,0,0|2,0,0]=4 505 B8R1.4 NC1=NC(Cl)=CC=C1 AC180936 [1,1,0,0,0,0|1,0,0]=3 506 B8R1.4 NC1=NC(Cl)=NC=C1 AC190260 [1,1,0,0,0,0|2,0,0]=4 507 B8R1.4 NC1=NC(N)=NC=C1 AC511891 [1,1,0,0,0,0|2,0,0]=4 508 B8R1.4 NC1=NC(O)=CC=C1 AC180423 [1,1,0,0,0,0|0,1,0]=3 509 B8R1.4 NC1=NC=CC(Cl)=C1 AC500248 [1,1,0,0,0,0|1,0,0]=3 510 B8R1.4 NC1=NC=CC(Cl)=N1 AC180410 [1,1,0,0,0,0|2,0,0]=4 511 B8R1.4 NC1=NC=CC(F)=C1 AC511214 [1,1,0,0,0,0|1,0,0]=3 512 B8R1.4 NC1=NC=CC(O)=C1 AC181799 [1,1,0,0,0,0|1,0,0]=3 513 B8R1.4 NC1=NC=NC(Br)=C1 AC180919 [1,1,0,0,0,0|2,0,0]=4 514 B8R1.4 NC1=NC=NC(Cl)=C1 AC170083 [1,1,0,0,0,0|2,0,0]=4 515 B8R1.4 OC1=CC(I)=CC=C1 AC510895 [1,1,0,0,0,0|1,1,0]=4 516 B8R1.4 OC1=CC=CC(Br)=N1 AC180929 [1,1,0,0,0,0|0,1,0]=3 517 B8R1.4 OC1=CC=CC(O)=C1 HY-B0907 [1,1,0,0,0,0|1,1,0]=4 518 B8R1.4 OC1=CC=NC(Cl)=C1 AC130253 [1,1,0,0,0,0|1,0,0]=3 519 B8R1.4 OC1=NC(Cl)=CN=C1 AC180873 [1,1,0,0,0,0|1,1,0]=4 520 B8R1.5 BrC1=C(Br)N=CC=C1 AC130165 [1,1,0,0,0,0|1,0,0]=3 521 B8R1.5 BrC1=CC=CC=C1I AC500034 [1,1,0,0,0,0|2,0,0]=4 522 B8R1.5 C1=CC(=C(Cl)N=C1)Cl LN00010714 [1,1,0,0,0,0|1,0,0]=3 523 B8R1.5 C1=CC(=C(F)N=C1)Br LN00145515 [1,1,0,0,0,0|1,0,0]=3 524 B8R1.5 C1=CC(=C(F)N=C1)F LN00008630 [1,1,0,0,0,0|1,0,0]=3 525 B8R1.5 C1=CC(=C(F)N=C1)N LN00124624 [1,1,0,0,0,0|1,0,0]=3 526 B8R1.5 CC1=C(Br)C=CN=C1 AC181859 [1,1,0,0,0,0|2,0,0]=4 527 B8R1.5 CC1=C(Br)C=NC=N1 AC182560 [1,1,0,0,0,0|1,0,0]=3 528 B8R1.5 CC1=C(Br)N=CC=C1 AC510729 [1,1,0,0,0,0|1,0,0]=3 529 B8R1.5 CC1=C(N)C=NC=C1 AC180724 [1,1,0,0,0,0|2,0,0]=4 530 B8R1.5 CC1=C(N)N=CN=C1 AC512148 [1,1,0,0,0,0|2,0,0]=4 531 B8R1.5 CC1=CC=CC=C1I AC510875 [1,1,0,0,0,0|1,0,0]=3 532 B8R1.5 CC1=CC=CN=C1F AC511615 [1,1,0,0,0,0|1,0,0]=3 533 B8R1.5 CC1=CN=CC=C1N AC181305 [1,1,0,0,0,0|2,0,0]=4 534 B8R1.5 CC1=CN=CC=C1N LN00001726 [1,1,0,0,0,0|2,0,0]=4 535 B8R1.5 CC1=CN=CC=C1O AC181809 [1,1,0,0,0,0|2,0,0]=4 536 B8R1.5 CC1=CNC=NC1=O LN00004529 [1,1,0,0,0,0|1,1,0]=4 537 B8R1.5 CC1=NC=CC=C1Br AC180855 [1,1,0,0,0,0|0,0,0]=2 538 B8R1.5 CC1=NC=CC=C1Cl AC181796 [1,1,0,0,0,0|0,0,0]=2 539 B8R1.5 CC1=NC=CC=C1O AC180647 [1,1,0,0,0,0|0,0,0]=2 540 B8R1.5 CC1=NC=CN=C1Cl AC180364 [1,1,0,0,0,0|1,0,0]=3 541 B8R1.5 CC1=NC=CN=C1N AC182349 [1,1,0,0,0,0|1,0,0]=3 542 B8R1.5 CC1=NC=NC=C1N AC182384 [1,1,0,0,0,0|1,0,0]=3 543 B8R1.5 C[N+]1=C(Cl)C=CC=C1 AC130274 [1,1,0,0,0,0|1,0,1]=4 544 B8R1.5 ClC1=C(Br)C=NC=N1 AC182451 [1,1,0,0,0,0|2,0,0]=4 545 B8R1.5 ClC1=CC=CC=C1Br AC190163 [1,1,0,0,0,0|2,0,0]=4 546 B8R1.5 ClC1=CC=CC=C1I AC510876 [1,1,0,0,0,0|2,0,0]=4 547 B8R1.5 ClC1=CC=CN=C1Br AC511010 [1,1,0,0,0,0|1,0,0]=3 548 B8R1.5 ClC1=NC=CC=C1Br AC180924 [1,1,0,0,0,0|1,0,0]=3 549 B8R1.5 ClC1=NC=CC=C1I AC190287 [1,1,0,0,0,0|1,0,0]=3 550 B8R1.5 FC1=CC=CC=C1I AC190203 [1,1,0,0,0,0|2,0,0]=4 551 B8R1.5 FC1=CC=CN=C1Br AC130125 [1,1,0,0,0,0|1,0,0]=3 552 B8R1.5 FC1=CC=CN=C1Cl AC510676 [1,1,0,0,0,0|1,0,0]=3 553 B8R1.5 FC1=NC=CC=C1Br AC181780 [1,1,0,0,0,0|1,0,0]=3 554 B8R1.5 FC1=NC=CC=C1Cl AC181798 [1,1,0,0,0,0|1,0,0]=3 555 B8R1.5 FC1=NC=CC=C1I AC181593 [1,1,0,0,0,0|1,0,0]=3 556 B8R1.5 IC1=CC=CC=C1I AC510877 [1,1,0,0,0,0|2,0,0]=4 557 B8R1.5 NC1=C(Br)N=CC=C1 AC130122 [1,1,0,0,0,0|1,0,0]=3 558 B8R1.5 NC1=C(Cl)C=CC=N1 AC181688 [1,1,0,0,0,0|1,0,0]=3 559 B8R1.5 NC1=C(I)C=CC=C1 AC500016 [1,1,0,0,0,0|2,0,0]=4 560 B8R1.5 NC1=C(N)N=CC=N1 AC182164 [1,1,0,0,0,0|2,0,0]=4 561 B8R1.5 NC1=C(O)C=CC=C1 AC190222 [1,1,0,0,0,0|1,1,0]=4 562 B8R1.5 NC1=CC=CC=C1F AC021683 [1,1,0,0,0,0|2,0,0]=4 563 B8R1.5 NC1=CC=CN=C1F AC511535 [1,1,0,0,0,0|1,0,0]=3 564 B8R1.5 NC1=CC=CN=C1N AC180156 [1,1,0,0,0,0|1,0,0]=3 565 B8R1.5 NC1=CC=CN=C1O AC500058 [1,1,0,0,0,0|0,1,0]=3 566 B8R1.5 NC1=NC=CC=C1F AC500260 [1,1,0,0,0,0|1,0,0]=3 567 B8R1.5 NC1=NC=CC=C1I AC181297 [1,1,0,0,0,0|1,0,0]=3 568 B8R1.5 NC1=NC=CC=C1O AC511555 [1,1,0,0,0,0|1,0,0]=3 569 B8R1.5 NC1=NC=CN=C1Br AC511980 [1,1,0,0,0,0|2,0,0]=4 570 B8R1.5 NC1=NC=CN=C1Cl AC510928 [1,1,0,0,0,0|2,0,0]=4 571 B8R1.5 NC1=NC=NC=C1Cl AC070098 [1,1,0,0,0,0|2,0,0]=4 572 B8R1.5 OC1=C(Br)C=CC=C1 AC190217 [1,1,0,0,0,0|1,1,0]=4 573 B8R1.5 OC1=C(F)N=CC=C1 AC510678 [1,1,0,0,0,0|1,0,0]=3 574 B8R1.5 OC1=C(I)C=CC=C1 AC510212 [1,1,0,0,0,0|1,1,0]=4 575 B8R1.5 OC1=C(I)N=CC=C1 AC180367 [1,1,0,0,0,0|1,0,0]=3 576 B8R1.5 OC1=CC=CC=C1Cl AC190324 [1,1,0,0,0,0|1,1,0]=4 577 B8R1.5 OC1=CC=CN=C1Br AC130123 [1,1,0,0,0,0|1,0,0]=3 578 B8R1.5 OC1=CC=CN=C1Cl AC190272 [1,1,0,0,0,0|1,0,0]=3 579 B8R1.5 OC1=CC=CN=C1O AC511556 [1,1,0,0,0,0|0,1,0]=3 580 B8R1.5 OC1=NC=CC=C1Br AC181616 [1,1,0,0,0,0|0,1,0]=3 581 B8R1.5 OC1=NC=CC=C1Cl AC181284 [1,1,0,0,0,0|0,1,0]=3 582 B8R1.5 OC1=NC=CC=C1F AC181567 [1,1,0,0,0,0|0,1,0]=3 583 B8R1.1 C(C1=NC(=CS1)Br)N LN02041216 [0,1,0,0,1,0|2,0,0]=4 584 B8R1.1 CC1=CN=C(CO)S1 AC512131 [0,1,0,0,1,0|1,1,0]=4 585 B8R1.1 CCC1=NOC(=C1)N LN00337016 [0,1,0,0,1,0|2,0,0]=4 586 B8R1.1 CCN1C=C(Br)C=N1 AC182237 [0,1,0,0,1,0|2,0,0]=4 587 B8R1.1 NCC1=CC=C(Br)S1 AC070057 [0,1,0,0,1,0|2,0,0]=4 588 B8R1.1 NCC1=NC(Br)=CS1 AC010235 [0,1,0,0,1,0|2,0,0]=4 589 B8R1.1 NCC1=NC(Br)=CS1 AC050165 [0,1,0,0,1,0|2,0,0]=4 590 B8R1.1 OCC1=CC=C(F)S1 AC050155 [0,1,0,0,1,0|1,1,0]=4 591 B8R1.1 OCC1=NC(Br)=CS1 AC050164 [0,1,0,0,1,0|1,1,0]=4 592 B8R1.7 CC(C)C1=CC=CO1 LN00338375 [0,1,0,0,1,0|2,0,0]=4 593 B8R1.7 CC(C)C1=NC=CN1 AC130259 [0,1,0,0,1,0|2,0,0]=4 594 B8R1.7 CC(C)N1C=CC=N1 AC130056 [0,1,0,0,1,0|2,0,0]=4 595 B8R1.7 CC(N)C1=NC=CS1 AC182658 [0,1,0,0,1,0|2,0,0]=4 596 B8R1.8 C(CO)C1=CSC=C1 LN00188198 [0,1,0,0,1,0|1,1,0]=4 597 B8R1.8 C1=CSC(=C1)CC=O LN01815545 [0,1,0,0,1,0|1,1,0]=4 598 B8R1.8 CNCC1=CSC=C1 AC030026 [0,1,0,0,1,0|2,0,0]=4 599 B8R1.8 N#CCC1=CC=CS1 AC510689 [0,1,0,0,1,0|2,0,0]=4 600 B8R1.8 NCCC1=CC=CO1 AC030027 [0,1,0,0,1,0|2,0,0]=4 601 B8R1.8 NCCC1=CNC=N1 HY-A0129 [0,1,0,0,1,0|2,0,0]=4 602 B8R1.8 OCCC1=CSC=C1 AC180238 [0,1,0,0,1,0|1,1,0]=4 603 B8R1.11 CN1C=CC=C1CN LN00001692 [0,1,0,0,1,0|1,0,1]=4 604 B8R1.11 CN1C=CN=C1CO AC181151 [0,1,0,0,1,0|1,1,0]=4 605 B8R1.11 NC1=C(CO)SC=C1 AC050128 [0,1,0,0,1,0|1,1,0]=4 606 B10R1.1 BrC1=CC=C(CC#N)C=C1 AC500226 [0,2,0,0,0,0|2,0,0]=4 607 B10R1.1 C1=C(C=CC(=C1)Br)CC=O LN00171423 [0,2,0,0,0,0|1,1,0]=4 608 B10R1.1 C1=C(C=CC(=C1)Br)CCO LN00010340 [0,2,0,0,0,0|1,1,0]=4 609 B10R1.1 C1=C(C=CC(=C1)Cl)CC=O LN01308797 [0,2,0,0,0,0|1,1,0]=4 610 B10R1.1 C1=C(C=CC(=C1)F)CCO LN00009366 [0,2,0,0,0,0|1,1,0]=4 611 B10R1.1 CC1=CC=C(C=C1)CC=O LN00179940 [0,2,0,0,0,0|1,1,0]=4 612 B10R1.1 CCOC1=CC=C(I)C=C1 AC190197 [0,2,0,0,0,0|2,0,0]=4 613 B10R1.1 CNCC1=CC=C(Br)C=C1 AC181858 [0,2,0,0,0,0|2,0,0]=4 614 B10R1.1 CNCC1=CC=C(C)C=C1 AC181832 [0,2,0,0,0,0|2,0,0]=4 615 B10R1.1 CNCC1=CC=C(Cl)C=C1 AC180340 [0,2,0,0,0,0|2,0,0]=4 616 B10R1.1 FC1=CC=C(CCBr)C=C1 AC181747 [0,2,0,0,0,0|2,0,0]=4 617 B10R1.1 FC1=CN=C(CC#N)C=C1 AC040055 [0,2,0,0,0,0|1,0,0]=3 618 B10R1.1 IC1=CC=C(CC#N)C=C1 AC511918 [0,2,0,0,0,0|2,0,0]=4 619 B10R1.1 NC1=CC=C(CC#N)C=C1 AC180221 [0,2,0,0,0,0|2,0,0]=4 620 B10R1.1 NCCC1=CC=C(Br)C=C1 AC510947 [0,2,0,0,0,0|2,0,0]=4 621 B10R1.1 NCCC1=CC=C(F)C=C1 AC511531 [0,2,0,0,0,0|2,0,0]=4 622 B10R1.1 NCCC1=CC=C(N)C=C1 AC181788 [0,2,0,0,0,0|2,0,0]=4 623 B10R1.1 NCCC1=CC=C(O)C=C1 AC510807 [0,2,0,0,0,0|2,0,0]=4 624 B10R1.1 NNCC1=CC=C(F)C=C1 AC070102 [0,2,0,0,0,0|2,0,0]=4 625 B10R1.1 NOCC1=CC=C(Cl)C=C1 AC010098 [0,2,0,0,0,0|1,1,0]=4 626 B10R1.1 OCCC1=CC=C(Br)C=C1 AC511093 [0,2,0,0,0,0|1,1,0]=4 627 B10R1.1 OCCC1=CC=C(Cl)C=C1 AC180054 [0,2,0,0,0,0|1,1,0]=4 628 B10R1.1 OCCC1=CC=C(F)C=C1 AC190322 [0,2,0,0,0,0|1,1,0]=4 629 B10R1.3 BrCC1=CC=C(C=C1)[N+]#[C-] AC180029 [0,2,0,0,0,0|2,0,0]=4 630 B10R1.3 CCC1=CC=C(C=C1)C#C AC310127 [0,2,0,0,0,0|2,0,0]=4 631 B10R1.3 CCC1=CC=C(NN)C=C1 AC181336 [0,2,0,0,0,0|2,0,0]=4 632 B10R1.3 COC1=CC=C(C=O)C=N1 AC181500 [0,2,0,0,0,0|2,0,0]=4 633 B10R1.3 COC1=CC=C(CBr)C=C1 AC130033 [0,2,0,0,0,0|2,0,0]=4 634 B10R1.3 COC1=CC=C(CCl)C=C1 AC131684 [0,2,0,0,0,0|2,0,0]=4 635 B10R1.3 COC1=CC=C(CN)C=C1 AC290030 [0,2,0,0,0,0|2,0,0]=4 636 B10R1.3 COC1=CN=C(CO)C=C1 AC511257 [0,2,0,0,0,0|0,1,0]=3 637 B10R1.3 COC1=NC=C(NN)C=C1 AC511963 [0,2,0,0,0,0|2,0,0]=4 638 B10R1.3 ClCC1=CC=C(C=C1)C#N AC190274 [0,2,0,0,0,0|2,0,0]=4 639 B10R1.3 NCC1=CC=C(C=C1)C#N AC500221 [0,2,0,0,0,0|2,0,0]=4 640 B10R1.3 NCC1=CC=C(CO)C=C1 AC181947 [0,2,0,0,0,0|1,1,0]=4 641 B10R1.3 NCC1=CC=C(CO)C=C1 AC182460 [0,2,0,0,0,0|1,1,0]=4 642 B10R1.3 OCC1=CC=C(C=C1)C#C AC070103 [0,2,0,0,0,0|1,1,0]=4 643 B10R1.3 OCC1=CC=C(C=C1)C#N AC190078 [0,2,0,0,0,0|1,1,0]=4 644 B10R1.3 OCC1=CC=C(C=O)C=C1 AC511200 [0,2,0,0,0,0|1,1,0]=4 645 B10R1.3 OCC1=CC=C(CCl)C=C1 AC050979 [0,2,0,0,0,0|1,1,0]=4 646 B10R1.13 C1=CC(=NC=C1Br)C(=O)O LN00009289 [0,2,0,0,0,0|0,1,1]=4 647 B10R1.13 CC(=O)C1=NC=C(Br)C=C1 AC181883 [0,2,0,0,0,0|0,1,1]=4 648 B10R1.13 CC(C)C1=NC=C(C=C1)N LN00179988 [0,2,0,0,0,0|1,0,0]=3 649 B10R1.13 CC1=CN=C(C=C1)C(O)=O AC181304 [0,2,0,0,0,0|0,1,1]=4 650 B10R1.13 CC1=CN=C(C=C1)[N+]([O-])=O AC180941 [0,2,0,0,0,0|1,1,0]=4 651 B10R1.13 C[C@@H](C1=NC=C(C=C1)Br)N LN02000998 [0,2,0,0,0,0|1,0,0]=3 652 B10R1.13 C[C@@H](N)C1=CC=C(Br)C=C1 AC020028 [0,2,0,0,0,0|2,0,0]=4 653 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 AC050507 [0,2,0,0,0,0|2,0,0]=4 654 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 AC050523 [0,2,0,0,0,0|2,0,0]=4 655 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 AC020207 [0,2,0,0,0,0|2,0,0]=4 656 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 AC500284 [0,2,0,0,0,0|2,0,0]=4 657 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 AC020024 [0,2,0,0,0,0|2,0,0]=4 658 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 AC050617 [0,2,0,0,0,0|2,0,0]=4 659 B10R1.13 C[C@H](N)C1=NC=C(F)C=N1 AC020930 [0,2,0,0,0,0|2,0,0]=4 660 B10R1.13 NC1=CC=C(N=C1)C(O)=O AC181509 [0,2,0,0,0,0|0,1,1]=4 661 B10R1.13 OC(=O)C1=CC=C(Br)C=N1 AC180939 [0,2,0,0,0,0|0,1,1]=4 662 B10R1.13 OC(=O)C1=CC=C(O)C=N1 AC181066 [0,2,0,0,0,0|0,1,1]=4 663 B10R1.13 OC(=O)C1=NC=C(Cl)C=C1 AC510981 [0,2,0,0,0,0|0,1,1]=4 664 B10R1.13 OC(=O)C1=NC=C(F)C=C1 AC181804 [0,2,0,0,0,0|0,1,1]=4 665 B10R1.13 OC1=CC=C(C=C1)C(F)F AC512172 [0,2,0,0,0,0|2,0,0]=4 666 B10R1.13 [O-][N+](=O)C1=CC=C(Cl)C=N1 AC181532 [0,2,0,0,0,0|1,1,0]=4 667 B10R1.13 [O-][N+](=O)C1=NC=C(Br)C=C1 AC180808 [0,2,0,0,0,0|1,1,0]=4 668 B10R1.13 [O-][N+](=O)C1=NC=C(F)C=C1 AC280026 [0,2,0,0,0,0|1,1,0]=4 669 B10R1.25 CC1=CC(Br)=CN=C1C#N AC182681 [0,2,0,0,0,0|1,0,1]=4 670 B10R1.25 CC1=CC(C)=C(CN)C=C1 AC160616 [0,2,0,0,0,0|2,0,0]=4 671 B10R1.25 COC1=C(C)C=C(N)C=N1 AC181867 [0,2,0,0,0,0|2,0,0]=4 672 B10R1.25 COC1=NC=C(Br)C=C1Br AC181891 [0,2,0,0,0,0|2,0,0]=4 673 B10R1.25 COC1=NC=C(Br)C=C1C AC020153 [0,2,0,0,0,0|2,0,0]=4 674 B10R1.25 COC1=NC=C(Br)C=C1Cl AC510968 [0,2,0,0,0,0|2,0,0]=4 675 B10R1.25 COC1=NC=C(Br)C=C1F AC070092 [0,2,0,0,0,0|2,0,0]=4 676 B10R1.25 COC1=NC=C(Br)C=C1N AC020839 [0,2,0,0,0,0|2,0,0]=4 677 B10R1.25 COC1=NC=C(Cl)C=C1Br AC070119 [0,2,0,0,0,0|2,0,0]=4 678 B10R1.25 COC1=NC=C(F)C=C1Br AC181865 [0,2,0,0,0,0|2,0,0]=4 679 B10R1.25 ClC1=CN=C(C#N)C(Cl)=C1 AC181715 [0,2,0,0,0,0|1,0,1]=4 680 B10R1.25 FC1=C(CBr)C=CC(Br)=C1 AC510954 [0,2,0,0,0,0|2,0,0]=4 681 B10R1.25 FC1=CC(F)=C(CBr)C=C1 AC180270 [0,2,0,0,0,0|2,0,0]=4 682 B10R1.25 FC1=CC=C(CBr)C(Br)=C1 AC181737 [0,2,0,0,0,0|2,0,0]=4 683 B10R1.25 FC1=CN=C(C#N)C(Br)=C1 AC512118 [0,2,0,0,0,0|1,0,1]=4 684 B10R1.25 NCC1=C(F)C=C(Br)C=C1 AC510434 [0,2,0,0,0,0|2,0,0]=4 685 B10R1.25 OCC1=CC=C(Cl)C=C1F AC180759 [0,2,0,0,0,0|1,1,0]=4 686 B10R1.25 OCC1=CC=C(F)C=C1Br AC181077 [0,2,0,0,0,0|1,1,0]=4 687 B10R1.176 CC1=CC(=NC=C1Br)C#N AC512050 [0,2,0,0,0,0|1,0,1]=4 688 B10R1.176 CC1=NC(=CC=C1N)C#N LN00337499 [0,2,0,0,0,0|1,0,1]=4 689 B10R1.176 COC1=CC=C(N)C(Br)=N1 AC070096 [0,2,0,0,0,0|2,0,0]=4 690 B10R1.176 COC1=NC(C)=C(Br)C=C1 AC181561 [0,2,0,0,0,0|2,0,0]=4 691 B10R1.176 COC1=NC=C(Br)C(C)=C1 AC511547 [0,2,0,0,0,0|2,0,0]=4 692 B10R1.2 CC1=C(Br)C(CO)=CC=C1 AC010441 [0,2,0,0,0,0|1,1,0]=4 693 B10R1.2 CC1=C(Br)C=CC=C1CO AC200067 [0,2,0,0,0,0|1,1,0]=4 694 B10R1.2 CC1=C(C)C(CBr)=CC=C1 AC511858 [0,2,0,0,0,0|2,0,0]=4 695 B10R1.2 FC1=C(Cl)C(CBr)=CC=C1 AC511933 [0,2,0,0,0,0|2,0,0]=4 696 B10R1.2 FC1=C(I)C=CN=C1C#N AC190041 [0,2,0,0,0,0|1,0,1]=4 697 B10R1.8 C1=C(C=C(C=C1Br)I)CO LN01802998 [0,2,0,0,0,0|1,1,0]=4 698 B10R1.8 CC1=CC(=CC(=C1)CBr)C LN00009902 [0,2,0,0,0,0|2,0,0]=4 699 B10R1.8 CC1=CC(=CC(=C1)N)CO LN01868363 [0,2,0,0,0,0|1,1,0]=4 700 B10R1.8 CC1=CC(C)=CC(CBr)=C1 AC180301 [0,2,0,0,0,0|2,0,0]=4 701 B10R1.8 CC1=NC(=NC(=C1)O)CCl LN00160068 [0,2,0,0,0,0|2,0,0]=4 702 B10R1.8 ClCC1=NC(=O)C=C(Cl)N1 AC050442 [0,2,0,0,0,0|2,0,0]=4 703 B10R1.8 FC1=CC(CBr)=CC(Br)=C1 AC511265 [0,2,0,0,0,0|2,0,0]=4 704 B10R1.8 FC1=CC(F)=CC(CBr)=C1 AC130113 [0,2,0,0,0,0|2,0,0]=4 705 B10R1.8 OCC1=CC(F)=CC(Br)=C1 AC181844 [0,2,0,0,0,0|1,1,0]=4 706 B10R1.8 OCC1=CC(O)=CC(O)=C1 AC180327 [0,2,0,0,0,0|1,1,0]=4 707 B10R1.10 C1=CC(=CC(=C1)Br)CC=O LN00181220 [0,2,0,0,0,0|1,1,0]=4 708 B10R1.10 C1=CC(=CC(=C1)Cl)CC=O LN00179867 [0,2,0,0,0,0|1,1,0]=4 709 B10R1.10 C1=CC(=CC(=C1)F)CC=O LN00241763 [0,2,0,0,0,0|1,1,0]=4 710 B10R1.10 CC1=CC(=CC=C1)CC=O LN00181749 [0,2,0,0,0,0|1,1,0]=4 711 B10R1.10 CC1=CC(=CC=C1)CCO LN00183333 [0,2,0,0,0,0|1,1,0]=4 712 B10R1.10 CCCC1=CC(N)=CC=C1 AC160362 [0,2,0,0,0,0|2,0,0]=4 713 B10R1.10 CCCC1=NC=CC(=C1)Br LN02162802 [0,2,0,0,0,0|1,0,0]=3 714 B10R1.10 CCOC1=CC=CC(N)=C1 AC020532 [0,2,0,0,0,0|2,0,0]=4 715 B10R1.10 CCOC1=NC=CC(N)=C1 AC180955 [0,2,0,0,0,0|1,0,0]=3 716 B10R1.10 CNCC1=CC=CC(Br)=C1 AC181856 [0,2,0,0,0,0|2,0,0]=4 717 B10R1.10 CNCC1=CC=CC(F)=C1 AC181857 [0,2,0,0,0,0|2,0,0]=4 718 B10R1.10 COCC1=NC=CC(N)=N1 AC182595 [0,2,0,0,0,0|1,1,0]=4 719 B10R1.10 NCCC1=CC(Cl)=CC=C1 AC511209 [0,2,0,0,0,0|2,0,0]=4 720 B10R1.10 NCCC1=CC=CC(O)=C1 AC180433 [0,2,0,0,0,0|2,0,0]=4 721 B10R1.10 OCCC1=CC(Cl)=CC=C1 AC180053 [0,2,0,0,0,0|1,1,0]=4 722 B10R1.30 C1=C(C=C(CCl)C(=C1)Cl)I LN02224034 [0,2,0,0,0,0|2,0,0]=4 723 B10R1.30 C1=C(C=C(CO)C(=C1)N)Br LN00152170 [0,2,0,0,0,0|1,1,0]=4 724 B10R1.30 CC1=CC=C(Br)C=C1CO AC050486 [0,2,0,0,0,0|1,1,0]=4 725 B10R1.30 CC1=CC=C(O)C(CCl)=N1 AC020394 [0,2,0,0,0,0|1,0,0]=3 726 B10R1.30 CC1=CC=C(O)C(CO)=N1 AC021314 [0,2,0,0,0,0|0,1,0]=3 727 B10R1.30 CCC1=CC(=CC=C1F)Br LN01279639 [0,2,0,0,0,0|2,0,0]=4 728 B10R1.30 CCC1=CC(Br)=CC=C1N AC021532 [0,2,0,0,0,0|2,0,0]=4 729 B10R1.30 CCC1=NC(C)=CC=C1O AC181021 [0,2,0,0,0,0|1,0,0]=3 730 B10R1.30 COC1=NC(C)=CC=C1N AC181576 [0,2,0,0,0,0|2,0,0]=4 731 B10R1.30 ClC1=CC=C(Br)C(CBr)=C1 AC511917 [0,2,0,0,0,0|2,0,0]=4 732 B10R1.30 FC1=CC=C(Br)C(CBr)=C1 AC180448 [0,2,0,0,0,0|2,0,0]=4 733 B10R1.30 NCC1=C(N)C=CC(Cl)=C1 AC200134 [0,2,0,0,0,0|2,0,0]=4 734 B10R1.113 C1=CC(=NC(=C1)Br)C(=O)O LN00009301 [0,2,0,0,0,0|0,1,1]=4 735 B10R1.113 C1=CC(=NC(=C1)F)C(=O)O LN00009991 [0,2,0,0,0,0|0,1,1]=4 736 B10R1.113 CC(=O)C1=CC=CC(=N1)Br LN00004057 [0,2,0,0,0,0|0,1,1]=4 737 B10R1.113 CC(=O)C1=NC(Br)=CC=C1 AC180989 [0,2,0,0,0,0|0,1,1]=4 738 B10R1.113 CC(=O)C1=NC(C)=CC=C1 AC181994 [0,2,0,0,0,0|0,1,1]=4 739 B10R1.113 CC(C1=CC(=CC=C1)Br)N LN01347982 [0,2,0,0,0,0|2,0,0]=4 740 B10R1.113 CC(N)C1=CC(O)=CC=C1 AC020799 [0,2,0,0,0,0|2,0,0]=4 741 B10R1.113 CC(N)C1=CC=CC(Br)=C1 AC021480 [0,2,0,0,0,0|2,0,0]=4 742 B10R1.113 CC(N)C1=CC=CC(Br)=C1 AC182169 [0,2,0,0,0,0|2,0,0]=4 743 B10R1.113 CC1=CC=CC(=N1)B(O)O AC511263 [0,2,0,0,0,0|1,1,0]=4 744 B10R1.113 CC1=CC=CC(=N1)C(O)=O AC180370 [0,2,0,0,0,0|0,1,1]=4 745 B10R1.113 C[C@@H](N)C1=CC=CC(Br)=C1 AC511565 [0,2,0,0,0,0|2,0,0]=4 746 B10R1.113 C[C@H](N)C1=CC(Br)=CC=C1 AC020029 [0,2,0,0,0,0|2,0,0]=4 747 B10R1.113 NC(=O)C1=NC=CC(Cl)=C1 AC181190 [0,2,0,0,0,0|0,1,1]=4 748 B10R1.113 NC1=CC=CC(=N1)C(O)=O AC180914 [0,2,0,0,0,0|0,1,1]=4 749 B10R1.113 OC(=O)C1=CC(Cl)=CC=N1 AC180860 [0,2,0,0,0,0|0,1,1]=4 750 B10R1.113 OC(=O)C1=NC(Br)=CC=C1 AC510356 [0,2,0,0,0,0|0,1,1]=4 751 B10R1.113 OC(=O)C1=NC(Cl)=CC=C1 AC180794 [0,2,0,0,0,0|0,1,1]=4 752 B10R1.113 OC(=O)C1=NC=CC(Br)=C1 AC511849 [0,2,0,0,0,0|0,1,1]=4 753 B10R1.113 OC(=O)C1=NC=CC(O)=C1 AC181051 [0,2,0,0,0,0|0,1,1]=4 754 B10R1.113 [O-][N+](=O)C1=CC=CC(Cl)=N1 AC170129 [0,2,0,0,0,0|1,1,0]=4 755 B10R1.172 BrCC1=CC=CC(=C1)C#N AC511286 [0,2,0,0,0,0|2,0,0]=4 756 B10R1.172 BrCC1=CC=CC(CBr)=N1 AC280015 [0,2,0,0,0,0|1,0,0]=3 757 B10R1.172 COC1=CC(=NC=C1)C#N AC182218 [0,2,0,0,0,0|1,0,1]=4 758 B10R1.172 COC1=CC(C=O)=NC=C1 AC511190 [0,2,0,0,0,0|0,1,1]=4 759 B10R1.172 COC1=CC(CBr)=CC=C1 AC510987 [0,2,0,0,0,0|2,0,0]=4 760 B10R1.172 COC1=CC(CN)=CC=C1 AC500068 [0,2,0,0,0,0|2,0,0]=4 761 B10R1.172 COC1=CC(CO)=CC=C1 AC190190 [0,2,0,0,0,0|1,1,0]=4 762 B10R1.172 COC1=CC=CC(=N1)C=O LN00008867 [0,2,0,0,0,0|0,1,1]=4 763 B10R1.172 COC1=NC(C=O)=CC=C1 AC181904 [0,2,0,0,0,0|0,1,1]=4 764 B10R1.172 COC1=NC=CC(C=O)=C1 AC190135 [0,2,0,0,0,0|2,0,0]=4 765 B10R1.172 COC1=NC=CC(CO)=C1 AC512003 [0,2,0,0,0,0|2,0,0]=4 766 B10R1.172 ClCC1=CC=CC(=N1)C#N AC182547 [0,2,0,0,0,0|1,0,0]=3 767 B10R1.172 N#CC1=CC=CC(=N1)C#N AC510716 [0,2,0,0,0,0|1,0,1]=4 768 B10R1.172 O=CC1=CC=CC(C=O)=N1 AC511730 [0,2,0,0,0,0|0,1,1]=4 769 B10R1.172 OCC1=CC=CC(=C1)C#N AC510986 [0,2,0,0,0,0|1,1,0]=4 770 B10R1.15 BrCC(=O)C1=CC=CC=C1 AC190211 [0,2,0,0,0,0|2,0,0]=4 771 B10R1.15 BrCC(=O)C1=NC=CC=C1 AC190303 [0,2,0,0,0,0|1,0,0]=3 772 B10R1.15 C1=CC(=NC=C1)C(=O)CBr LN00004265 [0,2,0,0,0,0|1,0,0]=3 773 B10R1.15 C1=CC=C(C=C1)C(=O)CN LN00159450 [0,2,0,0,0,0|2,0,0]=4 774 B10R1.15 C1=CC=C(C=C1)[C@@H](CO)O LN00236000 [0,2,0,0,0,0|1,1,0]=4 775 B10R1.15 C1=CC=NC(=C1)C(=NN)O LN00336703 [0,2,0,0,0,0|0,1,1]=4 776 B10R1.15 CC(C=O)C1=CC=CC=C1 AC190221 [0,2,0,0,0,0|1,1,0]=4 777 B10R1.15 CCC(C1=CC=CC=C1)Br LN01357533 [0,2,0,0,0,0|2,0,0]=4 778 B10R1.15 NCC(=O)C1=CC=CC=C1 AC180291 [0,2,0,0,0,0|2,0,0]=4 779 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 AC510841 [0,2,0,0,0,0|1,1,0]=4 780 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 AC180222 [0,2,0,0,0,0|1,1,0]=4 781 B10R1.15 N[C@H](CO)C1=CC=CC=C1 AC131619 [0,2,0,0,0,0|1,1,0]=4 782 B10R1.15 OCC(=O)C1=CC=CC=C1 AC180446 [0,2,0,0,0,0|1,1,0]=4 783 B10R1.28 CC(C)(N)C1=CC=CC=C1 AC500102 [0,2,0,0,0,0|2,0,0]=4 784 B10R1.28 FC(F)(F)C1=NC=CC=C1 AC181450 [0,2,0,0,0,0|1,0,0]=3 785 B10R1.61 C1=CC(=C(C(=O)O)N=C1)F LN00173629 [0,2,0,0,0,0|0,1,1]=4 786 B10R1.61 CC1=CC=CN=C1C(O)=O AC180861 [0,2,0,0,0,0|0,1,1]=4 787 B10R1.61 C[C@@H](O)C1=C(Cl)C=CC=C1 AC020783 [0,2,0,0,0,0|1,1,0]=4 788 B10R1.61 C[C@H](C1=CC=CC=C1Br)N LN02156247 [0,2,0,0,0,0|2,0,0]=4 789 B10R1.61 C[C@H](N)C1=CC=CC=C1F AC181536 [0,2,0,0,0,0|2,0,0]=4 790 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=C1 AC020784 [0,2,0,0,0,0|1,1,0]=4 791 B10R1.61 FC(F)C1=CC=CC=C1Br AC010373 [0,2,0,0,0,0|2,0,0]=4 792 B10R1.61 NC(=O)C1=NC=CC=C1N AC181996 [0,2,0,0,0,0|0,1,1]=4 793 B10R1.61 NC1=CC=CN=C1C(O)=O AC180670 [0,2,0,0,0,0|0,1,1]=4 794 B10R1.61 NC1=CC=CN=C1[N+]([O-])=O AC180471 [0,2,0,0,0,0|1,1,0]=4 795 B10R1.61 OC(=O)C1=NC=CC=C1Br AC181228 [0,2,0,0,0,0|0,1,1]=4 796 B10R1.61 OC(=O)C1=NC=CC=C1Cl AC181291 [0,2,0,0,0,0|0,1,1]=4 797 B10R1.61 OC(=O)C1=NC=CC=C1F AC181795 [0,2,0,0,0,0|0,1,1]=4 798 B10R1.61 OC(=O)C1=NC=CC=C1O AC180151 [0,2,0,0,0,0|0,1,1]=4 799 B10R1.61 [O-][N+](=O)C1=NC=CC=C1Br AC181139 [0,2,0,0,0,0|1,1,0]=4 800 B10R1.4 C1=CC(=C(CC#N)N=C1)Br LN01807755 [0,2,0,0,0,0|1,0,0]=3 801 B10R1.4 C1=CC(=C(CC#N)N=C1)F LN02162536 [0,2,0,0,0,0|1,0,0]=3 802 B10R1.4 C1=CC=C(C(=C1)CC=O)Br LN00181697 [0,2,0,0,0,0|1,1,0]=4 803 B10R1.4 C1=CC=C(C(=C1)CC=O)Cl LN00180075 [0,2,0,0,0,0|1,1,0]=4 804 B10R1.4 C1=CC=C(C(=C1)CC=O)F LN00181093 [0,2,0,0,0,0|1,1,0]=4 805 B10R1.4 C1=CC=C(C(=C1)CCO)Br LN00142608 [0,2,0,0,0,0|1,1,0]=4 806 B10R1.4 C1=CC=C(C(=C1)CCO)Cl LN00192290 [0,2,0,0,0,0|1,1,0]=4 807 B10R1.4 CC1=C(CON)C=CC=C1 AC010097 [0,2,0,0,0,0|1,1,0]=4 808 B10R1.4 CC1=CC=CC=C1CC#N AC512146 [0,2,0,0,0,0|2,0,0]=4 809 B10R1.4 CC1=CC=CC=C1CC=O LN00181191 [0,2,0,0,0,0|1,1,0]=4 810 B10R1.4 CCOC1=CC=CC=C1N AC190317 [0,2,0,0,0,0|2,0,0]=4 811 B10R1.4 NCCC1=CC=CC=C1N AC070086 [0,2,0,0,0,0|2,0,0]=4 812 B10R1.4 NCCC1=CC=CC=C1O AC050448 [0,2,0,0,0,0|2,0,0]=4 813 B10R1.4 OCCC1=CC=CC=C1Br AC180682 [0,2,0,0,0,0|1,1,0]=4 814 B10R1.17 C1=CC=C(C=C1)C#CCO LN00160166 [0,2,0,0,0,0|1,1,0]=4 815 B10R1.17 CNCCC1=CC=CC=N1 HY-B0524A [0,2,0,0,0,0|1,0,0]=3 816 B10R1.17 NCCOC1=CC=CC=C1 AC180524 [0,2,0,0,0,0|2,0,0]=4 817 B10R1.17 NCCOC1=NC=CC=C1 AC180673 [0,2,0,0,0,0|1,0,0]=3 818 B10R1.17 NNCCC1=CC=CC=C1 HY-B1018 [0,2,0,0,0,0|2,0,0]=4 819 B10R1.17 NNCCC1=CC=CC=C1 HY-B1018A [0,2,0,0,0,0|2,0,0]=4 820 B10R1.17 OCC#CC1=CC=CC=C1 AC500097 [0,2,0,0,0,0|1,1,0]=4 821 B10R1.17 OCCCC1=NC=CC=C1 AC040196 [0,2,0,0,0,0|0,1,0]=3 822 B10R1.18 C1=CC=C(C=C1)CC(=N)O LN00159648 [0,2,0,0,0,0|1,1,0]=4 823 B10R1.18 CC(=O)CC1=NC=CC=C1 AC511843 [0,2,0,0,0,0|0,1,0]=3 824 B10R1.18 NC(=O)CC1=CC=CC=C1 AC512053 [0,2,0,0,0,0|1,1,0]=4 825 B10R1.20 BrCC1=C(C=CC=C1)C#N AC500261 [0,2,0,0,0,0|2,0,0]=4 826 B10R1.20 C1=CC=C(CO)C(=C1)CO LN01372805 [0,2,0,0,0,0|1,1,0]=4 827 B10R1.20 COC1=NC=CC=C1C#N LN00005668 [0,2,0,0,0,0|2,0,0]=4 828 B10R1.20 COC1=NC=CC=C1C=O AC190310 [0,2,0,0,0,0|2,0,0]=4 829 B10R1.20 COC1=NC=CC=C1CCl LN00003497 [0,2,0,0,0,0|2,0,0]=4 830 B10R1.20 NCC1=C(C=CC=C1)C#N AC182058 [0,2,0,0,0,0|2,0,0]=4 831 B10R1.20 NCC1=CC=CC=C1CO AC182374 [0,2,0,0,0,0|1,1,0]=4 832 B10R1.20 NNC1=C(CO)C=CC=N1 AC010431 [0,2,0,0,0,0|2,0,0]=4 833 B10R1.245 C1=CC(=C(CO)C(=C1)I)F LN02137295 [0,2,0,0,0,0|1,1,0]=4 834 B10R1.245 CC1=CC=CC(C)=C1CBr AC511906 [0,2,0,0,0,0|2,0,0]=4 835 B10R1.245 CC1=CC=CC(C)=C1CN AC511863 [0,2,0,0,0,0|2,0,0]=4 836 B10R1.245 FC1=CC=CC(Cl)=C1CBr AC510387 [0,2,0,0,0,0|2,0,0]=4 837 B10R1.245 FC1=CC=CC(F)=C1CBr AC510972 [0,2,0,0,0,0|2,0,0]=4 838 B10R1.245 NCC1=C(Cl)C=CC=C1Cl AC511864 [0,2,0,0,0,0|2,0,0]=4 839 B10R1.245 NCC1=C(Cl)C=CC=C1F AC020010 [0,2,0,0,0,0|2,0,0]=4 840 B10R2.7 C1=CC2=C(N=C1)NCC2 LN00151014 [0,1,0,1,0,0|1,0,0]=3 841 B10R2.7 C1=CC2=CNN=C2N=C1 LN00011316 [0,1,0,1,0,0|2,0,0]=4 842 B10R2.7 C1CC2=C(C1)N=CC=C2 AC180116 [0,1,0,1,0,0|1,0,0]=3 843 B10R2.7 C1CC2=C(N1)C=CC=C2 AC500074 [0,1,0,1,0,0|2,0,0]=4 844 B10R2.7 C1CC2=C(N1)N=CC=C2 AC020599 [0,1,0,1,0,0|1,0,0]=3 845 B10R2.7 C1CC2=CC=CC=C2O1 AC020850 [0,1,0,1,0,0|1,1,0]=4 846 B10R2.7 C1CC2=CC=CN=C2N1 AC021071 [0,1,0,1,0,0|1,0,0]=3 847 B10R2.7 C1NCC2=C1C=CC=C2 AC181687 [0,1,0,1,0,0|2,0,0]=4 848 B10R2.7 C1OCC2=C1C=CC=C2 AC010325 [0,1,0,1,0,0|1,1,0]=4 849 B10R2.7 N1C=CC2=C1C=CC=N2 AC160369 [0,1,0,1,0,0|1,0,1]=4 850 B10R2.7 N1N=CC2=CC=CN=C12 AC050955 [0,1,0,1,0,0|2,0,0]=4 851 B10R2.7 N1N=CC2=NC=CC=C12 AC182223 [0,1,0,1,0,0|1,0,1]=4 852 B10R2.7 S1C=CC2=C1C=CC=C2 AC130090 [0,1,0,1,0,0|1,0,1]=4 853 B10R2.7 S1N=C2C=CC=CC2=N1 AC511633 [0,1,0,1,0,0|2,0,0]=4 854 B6R1.2 BrC1=CNC=N1 AC180482 [1,0,0,0,1,0|2,0,0]=4 855 B6R1.2 BrC1=COC=C1 AC130126 [1,0,0,0,1,0|2,0,0]=4 856 B6R1.2 BrC1=CSC=C1 AC510982 [1,0,0,0,1,0|2,0,0]=4 857 B6R1.2 BrC1=CSC=N1 AC130293 [1,0,0,0,1,0|2,0,0]=4 858 B6R1.2 BrC1=NC=CN1 AC500229 [1,0,0,0,1,0|2,0,0]=4 859 B6R1.2 BrC1=NC=CS1 AC130296 [1,0,0,0,1,0|2,0,0]=4 860 B6R1.2 BrC1=NNC=C1 AC181278 [1,0,0,0,1,0|2,0,0]=4 861 B6R1.2 C1=CON=C1Br LN00190967 [1,0,0,0,1,0|2,0,0]=4 862 B6R1.2 C1=CSC(=N1)Br LN00004618 [1,0,0,0,1,0|2,0,0]=4 863 B6R1.2 C1=CSC=C1I LN00177299 [1,0,0,0,1,0|2,0,0]=4 864 B6R1.2 CC1=CN=CN1 AC190147 [1,0,0,0,1,0|1,0,1]=4 865 B6R1.2 CC1=CN=CS1 AC510736 [1,0,0,0,1,0|2,0,0]=4 866 B6R1.2 CC1=CNN=C1 AC130170 [1,0,0,0,1,0|2,0,0]=4 867 B6R1.2 CC1=CNN=C1 HY-B0876 [1,0,0,0,1,0|2,0,0]=4 868 B6R1.2 CC1=CSC=N1 AC130333 [1,0,0,0,1,0|1,0,0]=3 869 B6R1.2 CC1=NC=CS1 AC180527 [1,0,0,0,1,0|1,0,0]=3 870 B6R1.2 CC1=NNC=C1 AC130325 [1,0,0,0,1,0|1,0,0]=3 871 B6R1.2 CC1=NNC=N1 AC021370 [1,0,0,0,1,0|2,0,0]=4 872 B6R1.2 CN1C=CC=C1 AC130318 [1,0,0,0,1,0|1,0,0]=3 873 B6R1.2 CN1C=CN=C1 AC130869 [1,0,0,0,1,0|2,0,0]=4 874 B6R1.2 CN1C=CN=N1 LN00159495 [1,0,0,0,1,0|2,0,0]=4 875 B6R1.2 CN1C=NC=N1 AC130334 [1,0,0,0,1,0|2,0,0]=4 876 B6R1.2 CN1C=NC=N1 LN00004617 [1,0,0,0,1,0|2,0,0]=4 877 B6R1.2 ClC1=NC=CS1 AC180884 [1,0,0,0,1,0|2,0,0]=4 878 B6R1.2 IC1=CC=CS1 AC510730 [1,0,0,0,1,0|2,0,0]=4 879 B6R1.2 IC1=NNC=C1 AC040037 [1,0,0,0,1,0|2,0,0]=4 880 B6R1.2 NC1=CSC=C1 AC010284 [1,0,0,0,1,0|2,0,0]=4 881 B6R1.2 NC1=NC=CN1 AC180296 [1,0,0,0,1,0|2,0,0]=4 882 B6R1.2 NC1=NC=CO1 AC182080 [1,0,0,0,1,0|2,0,0]=4 883 B6R1.2 NC1=NC=CS1 HY-12396 [1,0,0,0,1,0|2,0,0]=4 884 B6R1.2 NC1=NNC=C1 AC130171 [1,0,0,0,1,0|2,0,0]=4