0 B8R1.2 BrCC1=CC=CN=C1 AC190295 [0,0,0,0,0,0|2,0,0]=2 1 B8R1.2 BrCC1=CC=NC=C1 AC190236 [0,0,0,0,0,0|4,0,0]=4 2 B8R1.2 BrCC1=NC=CC=C1 AC190262 [0,0,0,0,0,0|2,0,0]=2 3 B8R1.2 C#CC1=CC=CC=N1 AC180444 [0,0,0,0,0,0|1,0,2]=3 4 B8R1.2 C#CC1=CC=CN=C1 AC500275 [0,0,0,0,0,0|1,0,2]=3 5 B8R1.2 C#CC1=CN=CN=C1 AC512075 [0,0,0,0,0,0|2,0,2]=4 6 B8R1.2 CNC1=CN=CC=N1 LN00001826 [0,0,0,0,0,0|1,0,0]=1 7 B8R1.2 CNC1=NC=CC=C1 AC500327 [0,0,0,0,0,0|2,0,0]=2 8 B8R1.2 COC1=CC=NC=C1 AC510883 [0,0,0,0,0,0|4,0,0]=4 9 B8R1.2 CSC1=CN=CC=N1 LN00220945 [0,0,0,0,0,0|1,0,0]=1 10 B8R1.2 ClCC1=CC=CC=N1 AC510931 [0,0,0,0,0,0|2,0,0]=2 11 B8R1.2 ClCC1=CC=CN=C1 AC190048 [0,0,0,0,0,0|2,0,0]=2 12 B8R1.2 ClCC1=NC=CC=N1 AC182476 [0,0,0,0,0,0|3,0,0]=3 13 B8R1.2 N#CC1=CC=NC=N1 AC182192 [0,0,0,0,0,0|3,0,1]=4 14 B8R1.2 N#CC1=NC=CC=N1 AC180809 [0,0,0,0,0,0|3,0,1]=4 15 B8R1.2 NCC1=CC=CN=C1 AC512081 [0,0,0,0,0,0|2,0,0]=2 16 B8R1.2 NCC1=CC=NC=C1 AC510741 [0,0,0,0,0,0|4,0,0]=4 17 B8R1.2 NCC1=CC=NC=N1 AC511312 [0,0,0,0,0,0|3,0,0]=3 18 B8R1.2 NCC1=NC=CC=N1 AC182213 [0,0,0,0,0,0|3,0,0]=3 19 B8R1.2 NCC1=NC=CN=C1 AC511030 [0,0,0,0,0,0|1,0,0]=1 20 B8R1.2 NNC1=CC=CN=C1 AC182314 [0,0,0,0,0,0|3,0,0]=3 21 B8R1.2 NNC1=NC=CC=C1 AC510793 [0,0,0,0,0,0|3,0,0]=3 22 B8R1.2 O=CC1=CC=CN=C1 AC170118 [0,0,0,0,0,0|2,0,1]=3 23 B8R1.2 O=CC1=NC=CC=C1 AC500026 [0,0,0,0,0,0|2,0,1]=3 24 B8R1.2 OCC1=CC=CC=C1 HY-B0892 [0,0,0,0,0,0|3,0,0]=3 25 B8R1.2 OCC1=CC=CN=C1 AC500154 [0,0,0,0,0,0|2,0,0]=2 26 B8R1.2 OCC1=CC=NC=C1 AC510857 [0,0,0,0,0,0|4,0,0]=4 27 B8R1.2 OCC1=CN=CN=C1 AC170027 [0,0,0,0,0,0|3,0,0]=3 28 B8R1.2 OCC1=NC=CC=C1 AC511744 [0,0,0,0,0,0|2,0,0]=2 29 B8R1.2 OCC1=NC=CC=N1 AC182042 [0,0,0,0,0,0|3,0,0]=3 30 B8R1.2 ONC1=CC=CC=C1 AC500156 [0,0,0,0,0,0|4,0,0]=4 31 B8R1.2 SCC1=NC=CC=C1 AC100035 [0,0,0,0,0,0|2,0,0]=2 32 B7R1.3 BrC1=CC=CN=N1 AC190121 [1,0,0,0,0,0|3,0,0]=4 33 B7R1.3 BrC1=CC=CN=N1 AC310137 [1,0,0,0,0,0|3,0,0]=4 34 B7R1.3 BrC1=CN=CN=C1 AC510781 [1,0,0,0,0,0|3,0,0]=4 35 B7R1.3 BrC1=NC=CC=C1 AC130148 [1,0,0,0,0,0|2,0,0]=3 36 B7R1.3 BrC1=NC=CC=N1 AC500033 [1,0,0,0,0,0|3,0,0]=4 37 B7R1.3 BrC1=NC=CN=C1 AC510840 [1,0,0,0,0,0|1,0,0]=2 38 B7R1.3 C1=NC=NC=C1O LN00004994 [1,0,0,0,0,0|3,0,0]=4 39 B7R1.3 CC1=CC=CN=N1 AC510670 [1,0,0,0,0,0|2,0,0]=3 40 B7R1.3 CC1=CC=NC=N1 AC021043 [1,0,0,0,0,0|2,0,0]=3 41 B7R1.3 CC1=CN=CN=C1 AC050446 [1,0,0,0,0,0|2,0,0]=3 42 B7R1.3 ClC1=CC=CN=C1 AC510157 [1,0,0,0,0,0|2,0,0]=3 43 B7R1.3 ClC1=NC=CN=C1 AC500205 [1,0,0,0,0,0|1,0,0]=2 44 B7R1.3 FC1=CC=CN=C1 AC510740 [1,0,0,0,0,0|2,0,0]=3 45 B7R1.3 IC1=CC=CC=C1 AC130763 [1,0,0,0,0,0|3,0,0]=4 46 B7R1.3 IC1=CC=CC=N1 AC190289 [1,0,0,0,0,0|2,0,0]=3 47 B7R1.3 IC1=CC=CN=C1 AC180371 [1,0,0,0,0,0|2,0,0]=3 48 B7R1.3 IC1=NC=CN=C1 AC511853 [1,0,0,0,0,0|1,0,0]=2 49 B7R1.3 NC1=CC=NN=C1 AC510688 [1,0,0,0,0,0|3,0,0]=4 50 B7R1.3 NC1=CN=CN=C1 AC181240 [1,0,0,0,0,0|3,0,0]=4 51 B7R1.3 NC1=NC=CC=N1 AC130528 [1,0,0,0,0,0|3,0,0]=4 52 B7R1.3 NC1=NC=CN=C1 AC180138 [1,0,0,0,0,0|1,0,0]=2 53 B7R1.3 NC1=NC=CN=N1 AC511166 [1,0,0,0,0,0|2,0,0]=3 54 B7R1.3 NC1=NN=CC=C1 AC181239 [1,0,0,0,0,0|3,0,0]=4 55 B7R1.3 O=C1NC=CC=N1 AC180285 [1,0,0,0,0,0|3,0,0]=4 56 B7R1.3 O=C1NN=CC=C1 AC180688 [1,0,0,0,0,0|3,0,0]=4 57 B7R1.3 OC1=NC=CC=C1 AC500203 [1,0,0,0,0,0|2,0,0]=3 58 B9R1.1 BC1=CC=C(OC)C=C1 AC090165 [0,1,0,0,0,0|3,0,0]=4 59 B9R1.1 BrC1=CC=C(C=O)C=N1 AC181833 [0,1,0,0,0,0|2,0,1]=4 60 B9R1.1 BrC1=CC=C(C=O)N=C1 AC181786 [0,1,0,0,0,0|2,0,1]=4 61 B9R1.1 BrC1=CN=C(C=C1)C#N AC511012 [0,1,0,0,0,0|2,0,1]=4 62 B9R1.1 BrC1=NC=C(C=C1)C#N AC220163 [0,1,0,0,0,0|2,0,1]=4 63 B9R1.1 BrC1=NC=C(N=C1)C#N AC512073 [0,1,0,0,0,0|1,0,1]=3 64 B9R1.1 BrCC1=CC=C(Br)C=C1 AC511101 [0,1,0,0,0,0|3,0,0]=4 65 B9R1.1 BrCC1=CC=C(I)C=C1 AC511536 [0,1,0,0,0,0|3,0,0]=4 66 B9R1.1 C1=C(C=CC(=C1)Cl)CN LN00007551 [0,1,0,0,0,0|3,0,0]=4 67 B9R1.1 C1=C(C=CC(=C1)I)CN LN00181807 [0,1,0,0,0,0|3,0,0]=4 68 B9R1.1 C1=C(C=CC(=C1)I)CO LN00140802 [0,1,0,0,0,0|3,0,0]=4 69 B9R1.1 C1=CC(=NC=C1C#N)Cl LN00008659 [0,1,0,0,0,0|2,0,1]=4 70 B9R1.1 CC1=CC=C(C=O)C=N1 AC100063 [0,1,0,0,0,0|2,0,1]=4 71 B9R1.1 CC1=CC=C(C=O)N=C1 AC511100 [0,1,0,0,0,0|2,0,1]=4 72 B9R1.1 CC1=CC=C(CO)C=N1 AC100103 [0,1,0,0,0,0|2,0,0]=3 73 B9R1.1 CC1=CN=C(C=C1)C#N AC181932 [0,1,0,0,0,0|2,0,1]=4 74 B9R1.1 CC1=NC=C(CBr)C=C1 AC190124 [0,1,0,0,0,0|2,0,0]=3 75 B9R1.1 CC1=NC=C(CO)C=N1 AC512082 [0,1,0,0,0,0|3,0,0]=4 76 B9R1.1 CNC1=NN=C(Cl)C=C1 AC181410 [0,1,0,0,0,0|3,0,0]=4 77 B9R1.1 COC1=CC=C(Br)C=N1 AC130157 [0,1,0,0,0,0|2,0,0]=3 78 B9R1.1 COC1=CC=C(Cl)N=N1 AC130198 [0,1,0,0,0,0|3,0,0]=4 79 B9R1.1 COC1=CC=C(I)C=C1 AC190049 [0,1,0,0,0,0|3,0,0]=4 80 B9R1.1 COC1=CC=C(I)C=N1 AC070095 [0,1,0,0,0,0|2,0,0]=3 81 B9R1.1 COC1=CC=C(N)N=C1 AC182126 [0,1,0,0,0,0|2,0,0]=3 82 B9R1.1 COC1=CC=C(O)C=C1 AC130677 [0,1,0,0,0,0|3,0,0]=4 83 B9R1.1 COC1=CC=C(S)C=C1 AC130236 [0,1,0,0,0,0|3,0,0]=4 84 B9R1.1 COC1=CN=C(Cl)C=C1 AC511217 [0,1,0,0,0,0|2,0,0]=3 85 B9R1.1 COC1=CN=C(Cl)N=C1 AC182336 [0,1,0,0,0,0|3,0,0]=4 86 B9R1.1 COC1=CN=C(N)C=N1 AC512160 [0,1,0,0,0,0|1,0,0]=2 87 B9R1.1 COC1=CN=C(N)N=C1 AC050315 [0,1,0,0,0,0|3,0,0]=4 88 B9R1.1 COC1=CNC(=N)C=C1 LN00175109 [0,1,0,0,0,0|2,0,1]=4 89 B9R1.1 COC1=NC=C(Br)C=C1 AC130150 [0,1,0,0,0,0|2,0,0]=3 90 B9R1.1 COC1=NC=C(Br)C=N1 AC181878 [0,1,0,0,0,0|3,0,0]=4 91 B9R1.1 COC1=NC=C(C)C=C1 AC182341 [0,1,0,0,0,0|2,0,0]=3 92 B9R1.1 COC1=NC=C(Cl)C=C1 AC070111 [0,1,0,0,0,0|2,0,0]=3 93 B9R1.1 COC1=NC=C(N)C=C1 AC180146 [0,1,0,0,0,0|2,0,0]=3 94 B9R1.1 COC1=NC=C(N)C=N1 AC182229 [0,1,0,0,0,0|3,0,0]=4 95 B9R1.1 COC1=NC=C(O)C=C1 AC511210 [0,1,0,0,0,0|2,0,0]=3 96 B9R1.1 COC1=NC=C(O)C=N1 AC040104 [0,1,0,0,0,0|3,0,0]=4 97 B9R1.1 CSC1=CC=C(O)C=C1 AC130022 [0,1,0,0,0,0|3,0,0]=4 98 B9R1.1 CSC1=CN=C(N)C=C1 AC100050 [0,1,0,0,0,0|2,0,0]=3 99 B9R1.1 CSC1=NC=C(Br)C=N1 AC511500 [0,1,0,0,0,0|3,0,0]=4 100 B9R1.1 CSC1=NC=C(C=N1)O LN00335641 [0,1,0,0,0,0|3,0,0]=4 101 B9R1.1 CSC1=NC=C(O)C=N1 AC180908 [0,1,0,0,0,0|3,0,0]=4 102 B9R1.1 ClC1=CC=C(C=N1)C#N AC511664 [0,1,0,0,0,0|2,0,1]=4 103 B9R1.1 ClC1=CC=C(C=O)C=N1 AC020051 [0,1,0,0,0,0|2,0,1]=4 104 B9R1.1 ClC1=CN=C(C=C1)C#N AC512147 [0,1,0,0,0,0|2,0,1]=4 105 B9R1.1 ClC1=CN=C(C=O)C=C1 AC182265 [0,1,0,0,0,0|2,0,1]=4 106 B9R1.1 ClC1=NC=C(N=C1)C#N AC182426 [0,1,0,0,0,0|1,0,1]=3 107 B9R1.1 ClCC1=CC=C(Br)C=C1 AC511747 [0,1,0,0,0,0|3,0,0]=4 108 B9R1.1 FC1=CC=C(C=N1)C#N AC182405 [0,1,0,0,0,0|2,0,1]=4 109 B9R1.1 FC1=CN=C(C=C1)C#N AC511660 [0,1,0,0,0,0|2,0,1]=4 110 B9R1.1 FC1=CN=C(C=O)C=C1 AC511176 [0,1,0,0,0,0|2,0,1]=4 111 B9R1.1 FC1=NC=C(C=O)C=C1 AC511039 [0,1,0,0,0,0|2,0,1]=4 112 B9R1.1 NC1=CC=C(CO)C=C1 AC510886 [0,1,0,0,0,0|3,0,0]=4 113 B9R1.1 NC1=CN=C(C=N1)C#N AC030019 [0,1,0,0,0,0|1,0,1]=3 114 B9R1.1 NC1=NC=C(C=C1)C#N AC500059 [0,1,0,0,0,0|2,0,1]=4 115 B9R1.1 NCC1=CC=C(Br)C=C1 AC500062 [0,1,0,0,0,0|3,0,0]=4 116 B9R1.1 NCC1=CC=C(Cl)C=C1 AC510625 [0,1,0,0,0,0|3,0,0]=4 117 B9R1.1 NCC1=CC=C(O)C=C1 AC190229 [0,1,0,0,0,0|3,0,0]=4 118 B9R1.1 NCC1=CN=C(Cl)C=C1 AC511011 [0,1,0,0,0,0|2,0,0]=3 119 B9R1.1 NCC1=CNC(=O)C=C1 AC182250 [0,1,0,0,0,0|2,0,1]=4 120 B9R1.1 NCC1=NC=C(Br)C=C1 AC181948 [0,1,0,0,0,0|2,0,0]=3 121 B9R1.1 NNC1=NC=C(Br)C=C1 AC181048 [0,1,0,0,0,0|3,0,0]=4 122 B9R1.1 OC1=CC=C(C=O)C=N1 AC511193 [0,1,0,0,0,0|2,0,1]=4 123 B9R1.1 OC1=CN=C(C=O)C=C1 AC511243 [0,1,0,0,0,0|2,0,1]=4 124 B9R1.1 OCC1=CC=C(Br)C=C1 AC190199 [0,1,0,0,0,0|3,0,0]=4 125 B9R1.1 OCC1=CC=C(Cl)C=C1 AC190200 [0,1,0,0,0,0|3,0,0]=4 126 B9R1.1 OCC1=CC=C(Cl)N=C1 AC181178 [0,1,0,0,0,0|2,0,0]=3 127 B9R1.1 OCC1=CC=C(I)C=C1 AC511569 [0,1,0,0,0,0|3,0,0]=4 128 B9R1.1 OCC1=NC=C(Br)C=C1 AC181754 [0,1,0,0,0,0|2,0,0]=3 129 B9R1.1 OCC1=NC=C(Cl)N=C1 AC182624 [0,1,0,0,0,0|1,0,0]=2 130 B9R1.1 OCC1=NC=C(O)C=C1 AC512020 [0,1,0,0,0,0|2,0,0]=3 131 B9R1.2 BrC1=CC(C=O)=NC=C1 AC511173 [0,1,0,0,0,0|2,0,1]=4 132 B9R1.2 BrC1=CC=CC(=N1)C#N AC511480 [0,1,0,0,0,0|2,0,1]=4 133 B9R1.2 BrC1=CC=CC(C=O)=N1 AC181501 [0,1,0,0,0,0|2,0,1]=4 134 B9R1.2 BrC1=CN=CC(=C1)C#N AC180833 [0,1,0,0,0,0|2,0,1]=4 135 B9R1.2 BrC1=CN=CC(C=O)=C1 AC181606 [0,1,0,0,0,0|2,0,1]=4 136 B9R1.2 BrCC1=CC(Br)=CC=C1 AC510964 [0,1,0,0,0,0|3,0,0]=4 137 B9R1.2 BrCC1=CC=CC(I)=C1 AC510794 [0,1,0,0,0,0|3,0,0]=4 138 B9R1.2 C1=CC(=NC(=C1)Br)C=O LN00008017 [0,1,0,0,0,0|2,0,1]=4 139 B9R1.2 C1=CC(=NC(=C1)Br)CO LN00009570 [0,1,0,0,0,0|2,0,0]=3 140 B9R1.2 C1=CN=C(C=C1Br)CN LN00173736 [0,1,0,0,0,0|2,0,0]=3 141 B9R1.2 CC1=CC(=NC=C1)C#N AC511539 [0,1,0,0,0,0|2,0,1]=4 142 B9R1.2 CC1=CC(C=O)=NC=C1 AC510820 [0,1,0,0,0,0|2,0,1]=4 143 B9R1.2 CC1=CC(CN)=CC=C1 AC500121 [0,1,0,0,0,0|3,0,0]=4 144 B9R1.2 CC1=CC=CC(=N1)C#N AC180851 [0,1,0,0,0,0|2,0,1]=4 145 B9R1.2 CC1=CC=CC(=N1)OC LN00002432 [0,1,0,0,0,0|2,0,0]=3 146 B9R1.2 CC1=CC=CC(C=O)=N1 AC510632 [0,1,0,0,0,0|2,0,1]=4 147 B9R1.2 CC1=CC=CC(CN)=N1 AC190009 [0,1,0,0,0,0|2,0,0]=3 148 B9R1.2 CC1=NC(=CC=C1)CO LN00224223 [0,1,0,0,0,0|2,0,0]=3 149 B9R1.2 CCC1=CC(N)=NC=C1 AC310156 [0,1,0,0,0,0|3,0,0]=4 150 B9R1.2 CCC1=NC=CC(=C1)Br LN02122573 [0,1,0,0,0,0|1,0,0]=2 151 B9R1.2 CCC1=NC=NC(Cl)=C1 AC511297 [0,1,0,0,0,0|2,0,0]=3 152 B9R1.2 CNC1=CC(Br)=CC=C1 AC020132 [0,1,0,0,0,0|3,0,0]=4 153 B9R1.2 CNC1=CC(Cl)=NC=N1 AC190073 [0,1,0,0,0,0|3,0,0]=4 154 B9R1.2 COC1=CC(Br)=CN=C1 AC510801 [0,1,0,0,0,0|2,0,0]=3 155 B9R1.2 COC1=CC=CC(Br)=N1 AC180668 [0,1,0,0,0,0|2,0,0]=3 156 B9R1.2 COC1=CC=CC(C)=N1 AC181782 [0,1,0,0,0,0|2,0,0]=3 157 B9R1.2 COC1=CC=CC(N)=C1 AC130321 [0,1,0,0,0,0|3,0,0]=4 158 B9R1.2 COC1=CC=CC(N)=N1 AC181869 [0,1,0,0,0,0|2,0,0]=3 159 B9R1.2 COC1=CC=CC(O)=C1 AC130088 [0,1,0,0,0,0|3,0,0]=4 160 B9R1.2 COC1=CN=CC(N)=C1 AC182431 [0,1,0,0,0,0|2,0,0]=3 161 B9R1.2 COC1=NC(Cl)=CC=C1 AC180147 [0,1,0,0,0,0|2,0,0]=3 162 B9R1.2 COC1=NC(Cl)=NC=C1 AC180869 [0,1,0,0,0,0|3,0,0]=4 163 B9R1.2 COC1=NC(F)=CC=C1 AC070088 [0,1,0,0,0,0|2,0,0]=3 164 B9R1.2 COC1=NC(N)=NC=C1 AC512040 [0,1,0,0,0,0|3,0,0]=4 165 B9R1.2 COC1=NC=CC(Br)=C1 AC182264 [0,1,0,0,0,0|2,0,0]=3 166 B9R1.2 COC1=NC=CC(Cl)=C1 AC512031 [0,1,0,0,0,0|2,0,0]=3 167 B9R1.2 COC1=NC=CC(N)=C1 AC182029 [0,1,0,0,0,0|2,0,0]=3 168 B9R1.2 COC1=NC=NC(Cl)=C1 AC181930 [0,1,0,0,0,0|3,0,0]=4 169 B9R1.2 CSC1=CC(N)=CC=C1 AC500237 [0,1,0,0,0,0|3,0,0]=4 170 B9R1.2 CSC1=NC(=O)C=CN1 LN00004447 [0,1,0,0,0,0|3,0,0]=4 171 B9R1.2 CSC1=NC=CC(=O)N1 AC181143 [0,1,0,0,0,0|3,0,0]=4 172 B9R1.2 CSC1=NC=CC(Br)=N1 AC182505 [0,1,0,0,0,0|3,0,0]=4 173 B9R1.2 CSC1=NC=CC(Cl)=N1 AC511714 [0,1,0,0,0,0|3,0,0]=4 174 B9R1.2 ClC1=CC(C=O)=NC=C1 AC182139 [0,1,0,0,0,0|2,0,1]=4 175 B9R1.2 ClC1=CC(CBr)=CC=C1 AC180010 [0,1,0,0,0,0|3,0,0]=4 176 B9R1.2 FC1=CC(C=O)=CN=C1 AC512032 [0,1,0,0,0,0|2,0,1]=4 177 B9R1.2 FC1=CC=CC(CBr)=C1 AC510779 [0,1,0,0,0,0|3,0,0]=4 178 B9R1.2 FC1=CC=CC(CCl)=C1 AC180011 [0,1,0,0,0,0|3,0,0]=4 179 B9R1.2 FC1=NC(C=O)=CC=C1 AC181585 [0,1,0,0,0,0|2,0,1]=4 180 B9R1.2 NC1=CC(=CN=C1)C#N AC182083 [0,1,0,0,0,0|2,0,1]=4 181 B9R1.2 NC1=CC=CC(=N1)C#N AC512078 [0,1,0,0,0,0|2,0,1]=4 182 B9R1.2 NC1=CC=CC(CO)=N1 AC190007 [0,1,0,0,0,0|2,0,0]=3 183 B9R1.2 NCC1=CC(Cl)=CC=C1 AC510764 [0,1,0,0,0,0|3,0,0]=4 184 B9R1.2 NCC1=CC=CC(Br)=C1 AC181165 [0,1,0,0,0,0|3,0,0]=4 185 B9R1.2 NCC1=CC=CC(I)=C1 AC180290 [0,1,0,0,0,0|3,0,0]=4 186 B9R1.2 NNC1=CC=CC(Br)=N1 AC182441 [0,1,0,0,0,0|3,0,0]=4 187 B9R1.2 OCC1=CC(Br)=CN=C1 AC500329 [0,1,0,0,0,0|2,0,0]=3 188 B9R1.2 OCC1=CC=CC(Br)=C1 AC511533 [0,1,0,0,0,0|3,0,0]=4 189 B9R1.2 OCC1=CC=CC(Br)=N1 AC181774 [0,1,0,0,0,0|2,0,0]=3 190 B9R1.2 OCC1=NC(Cl)=CC=C1 AC182154 [0,1,0,0,0,0|2,0,0]=3 191 B9R1.2 OCC1=NC(Cl)=CC=C1 AC182330 [0,1,0,0,0,0|2,0,0]=3 192 B9R1.2 OCC1=NC=CC(Cl)=C1 AC182138 [0,1,0,0,0,0|2,0,0]=3 193 B9R1.6 C1=CN=CC(=C1)B(O)O LN00004871 [0,1,0,0,0,0|3,0,0]=4 194 B9R1.6 CC(=C)C1=CC=CC=C1 AC190225 [0,1,0,0,0,0|2,0,1]=4 195 B9R1.6 CC(=O)C1=CC=CN=C1 AC510735 [0,1,0,0,0,0|1,0,1]=3 196 B9R1.6 CC(=O)C1=CN=CC=N1 AC510694 [0,1,0,0,0,0|0,0,1]=2 197 B9R1.6 CC(=O)C1=CN=CN=C1 AC050215 [0,1,0,0,0,0|2,0,1]=4 198 B9R1.6 CC(=O)C1=NC=CC=C1 AC131564 [0,1,0,0,0,0|1,0,1]=3 199 B9R1.6 CC(=O)C1=NC=CC=N1 AC182273 [0,1,0,0,0,0|2,0,1]=4 200 B9R1.6 CC(=O)C1=NC=NC=C1 LN00221164 [0,1,0,0,0,0|2,0,1]=4 201 B9R1.6 CC(N)C1=CC=CN=C1 AC170099 [0,1,0,0,0,0|1,0,0]=2 202 B9R1.6 CC(N)C1=CC=NC=C1 AC170001 [0,1,0,0,0,0|3,0,0]=4 203 B9R1.6 CC(N)C1=NC=CC=C1 AC021461 [0,1,0,0,0,0|1,0,0]=2 204 B9R1.6 CC(O)C1=NC=CC=C1 AC181953 [0,1,0,0,0,0|1,0,0]=2 205 B9R1.6 C[C@@H](N)C1=NC=CC=C1 AC021462 [0,1,0,0,0,0|1,0,0]=2 206 B9R1.6 C[C@@H](O)C1=CC=CC=C1 AC021442 [0,1,0,0,0,0|2,0,0]=3 207 B9R1.6 C[C@H](N)C1=NC=CC=C1 AC170065 [0,1,0,0,0,0|1,0,0]=2 208 B9R1.6 NC(=N)C1=CC=CN=C1 AC180531 [0,1,0,0,0,0|2,0,1]=4 209 B9R1.6 NC(=O)C1=CC=CN=C1 HY-B0150 [0,1,0,0,0,0|2,0,1]=4 210 B9R1.6 NC(=O)C1=NC=CN=C1 HY-B0271 [0,1,0,0,0,0|1,0,1]=3 211 B9R1.6 NC(=S)C1=NC=CC=C1 AC180667 [0,1,0,0,0,0|2,0,1]=4 212 B9R1.6 OB(O)C1=CN=CC=C1 AC181089 [0,1,0,0,0,0|3,0,0]=4 213 B9R1.6 OC(=O)C1=CC=CN=C1 AC510862 [0,1,0,0,0,0|2,0,1]=4 214 B9R1.6 OC(=O)C1=CC=CN=C1 HY-B0143 [0,1,0,0,0,0|2,0,1]=4 215 B9R1.6 OC(=O)C1=NC=CC=C1 AC190264 [0,1,0,0,0,0|2,0,1]=4 216 B9R1.6 OC(=O)C1=NC=CN=C1 AC021096 [0,1,0,0,0,0|1,0,1]=3 217 B9R1.6 [O-]C(=O)C1=NC=CN=N1 AC050612 [0,1,0,0,0,0|2,0,1]=4 218 B9R1.8 BrCCC1=NC=CC=C1 AC182249 [0,1,0,0,0,0|1,0,0]=2 219 B9R1.8 CNCC1=CC=CC=C1 AC500163 [0,1,0,0,0,0|2,0,0]=3 220 B9R1.8 CNCC1=NC=CC=C1 LN00001150 [0,1,0,0,0,0|1,0,0]=2 221 B9R1.8 NCCC1=CC=CN=C1 AC500060 [0,1,0,0,0,0|1,0,0]=2 222 B9R1.8 NNCC1=CC=CC=C1 AC500254 [0,1,0,0,0,0|3,0,0]=4 223 B9R1.8 OCCC1=CC=NC=C1 AC511725 [0,1,0,0,0,0|3,0,0]=4 224 B9R1.8 OCCC1=NC=CN=C1 AC051081 [0,1,0,0,0,0|0,0,0]=1 225 B9R1.8 ONCC1=CC=CC=C1 AC180467 [0,1,0,0,0,0|3,0,0]=4 226 B9R1.8 S=C=NC1=NC=CC=C1 AC020652 [0,1,0,0,0,0|2,0,1]=4 227 B9R1.15 BrC1=CC=CN=C1C#N AC181499 [0,1,0,0,0,0|2,0,1]=4 228 B9R1.15 BrC1=CC=NC=C1C=O AC290066 [0,1,0,0,0,0|2,0,1]=4 229 B9R1.15 BrC1=NC=CC=C1C#N AC511835 [0,1,0,0,0,0|2,0,1]=4 230 B9R1.15 BrC1=NC=CC=C1C=O AC130168 [0,1,0,0,0,0|2,0,1]=4 231 B9R1.15 BrCC1=C(Br)C=CC=C1 AC500309 [0,1,0,0,0,0|3,0,0]=4 232 B9R1.15 BrCC1=C(I)C=CC=C1 AC510755 [0,1,0,0,0,0|3,0,0]=4 233 B9R1.15 C1=CC(=C(C=O)N=C1)O LN00121425 [0,1,0,0,0,0|2,0,1]=4 234 B9R1.15 C1=CC(=C(N)N=C1)C#N LN00002641 [0,1,0,0,0,0|2,0,1]=4 235 B9R1.15 C1=CC=C(C(=C1)CO)Br LN00009848 [0,1,0,0,0,0|3,0,0]=4 236 B9R1.15 CC1=C(C=NC=C1)C#N AC180944 [0,1,0,0,0,0|2,0,1]=4 237 B9R1.15 CC1=CC=CC=C1CN AC190306 [0,1,0,0,0,0|3,0,0]=4 238 B9R1.15 CC1=CC=CN=C1C=O AC181444 [0,1,0,0,0,0|2,0,1]=4 239 B9R1.15 CC1=NC=CC=C1CO LN00004952 [0,1,0,0,0,0|2,0,0]=3 240 B9R1.15 CCC1=CC=CC=C1Br AC500247 [0,1,0,0,0,0|2,0,0]=3 241 B9R1.15 CCC1=NC=CC=C1O LN00004884 [0,1,0,0,0,0|1,0,0]=2 242 B9R1.15 CNC1=C(O)C=CC=C1 AC512071 [0,1,0,0,0,0|3,0,0]=4 243 B9R1.15 CNC1=CC=CC=C1N AC511708 [0,1,0,0,0,0|3,0,0]=4 244 B9R1.15 CNC1=CC=CC=C1N LN01309502 [0,1,0,0,0,0|3,0,0]=4 245 B9R1.15 COC1=C(Br)C=CC=C1 AC510848 [0,1,0,0,0,0|3,0,0]=4 246 B9R1.15 COC1=C(I)C=CC=C1 AC510814 [0,1,0,0,0,0|3,0,0]=4 247 B9R1.15 COC1=CC=CC=C1O AC190186 [0,1,0,0,0,0|3,0,0]=4 248 B9R1.15 COC1=CC=CN=C1Br AC500269 [0,1,0,0,0,0|2,0,0]=3 249 B9R1.15 COC1=CC=CN=C1Cl AC181653 [0,1,0,0,0,0|2,0,0]=3 250 B9R1.15 COC1=CC=CN=C1N AC511905 [0,1,0,0,0,0|2,0,0]=3 251 B9R1.15 COC1=CN=CN=C1N AC511956 [0,1,0,0,0,0|3,0,0]=4 252 B9R1.15 COC1=NC=CC=C1Br AC181597 [0,1,0,0,0,0|2,0,0]=3 253 B9R1.15 COC1=NC=CC=C1Cl AC181590 [0,1,0,0,0,0|2,0,0]=3 254 B9R1.15 COC1=NC=CC=C1I AC181562 [0,1,0,0,0,0|2,0,0]=3 255 B9R1.15 COC1=NC=CN=C1Cl AC512133 [0,1,0,0,0,0|1,0,0]=2 256 B9R1.15 COC1=NC=NC=C1Br AC511947 [0,1,0,0,0,0|3,0,0]=4 257 B9R1.15 COC1=NC=NC=C1Cl AC070067 [0,1,0,0,0,0|3,0,0]=4 258 B9R1.15 ClC1=CC=CC=C1CBr AC180009 [0,1,0,0,0,0|3,0,0]=4 259 B9R1.15 ClC1=CC=CN=C1C#N AC181716 [0,1,0,0,0,0|2,0,1]=4 260 B9R1.15 ClC1=CC=CN=C1C=O AC511242 [0,1,0,0,0,0|2,0,1]=4 261 B9R1.15 ClC1=NC=CC=C1C#N AC190188 [0,1,0,0,0,0|2,0,1]=4 262 B9R1.15 ClC1=NC=CN=C1C#N AC170102 [0,1,0,0,0,0|1,0,1]=3 263 B9R1.15 FC1=C(CBr)C=CC=C1 AC510775 [0,1,0,0,0,0|3,0,0]=4 264 B9R1.15 FC1=CC=CN=C1C#N AC511907 [0,1,0,0,0,0|2,0,1]=4 265 B9R1.15 FC1=CC=CN=C1C=O AC100101 [0,1,0,0,0,0|2,0,1]=4 266 B9R1.15 FC1=NC=CC=C1C#N AC181577 [0,1,0,0,0,0|2,0,1]=4 267 B9R1.15 FC1=NC=CC=C1C=O AC512030 [0,1,0,0,0,0|2,0,1]=4 268 B9R1.15 NC1=C(CO)C=CC=N1 AC181888 [0,1,0,0,0,0|2,0,0]=3 269 B9R1.15 NC1=CC=CC=C1CO AC511831 [0,1,0,0,0,0|3,0,0]=4 270 B9R1.15 NC1=CC=CN=C1C#N AC181442 [0,1,0,0,0,0|2,0,1]=4 271 B9R1.15 NC1=NC=CC=C1C#C AC270033 [0,1,0,0,0,0|1,0,2]=4 272 B9R1.15 NC1=NC=CC=C1C#N AC180722 [0,1,0,0,0,0|2,0,1]=4 273 B9R1.15 NC1=NC=CC=C1C=O AC020960 [0,1,0,0,0,0|2,0,1]=4 274 B9R1.15 NC1=NC=CN=C1C#N AC181389 [0,1,0,0,0,0|1,0,1]=3 275 B9R1.15 NCC1=C(Br)C=CC=C1 AC500061 [0,1,0,0,0,0|3,0,0]=4 276 B9R1.15 NCC1=C(F)C=CC=C1 AC190246 [0,1,0,0,0,0|3,0,0]=4 277 B9R1.15 NCC1=CC=CC=C1O AC181137 [0,1,0,0,0,0|3,0,0]=4 278 B9R1.15 NCC1=NC=CN=C1Cl AC182522 [0,1,0,0,0,0|1,0,0]=2 279 B9R1.15 NNC1=NC=CC=C1Cl AC181379 [0,1,0,0,0,0|3,0,0]=4 280 B9R1.15 OC1=CC=CN=C1C#N AC511818 [0,1,0,0,0,0|2,0,1]=4 281 B9R1.15 OC1=CC=CN=C1C=O AC270030 [0,1,0,0,0,0|2,0,1]=4 282 B9R1.15 OCC1=CC=CC=C1Br AC230033 [0,1,0,0,0,0|3,0,0]=4 283 B9R1.15 OCC1=CC=CC=C1I AC511037 [0,1,0,0,0,0|3,0,0]=4 284 B9R1.15 OCC1=CC=CC=C1O HY-B1419 [0,1,0,0,0,0|3,0,0]=4 285 B9R1.15 OCC1=CC=CN=C1Cl AC181378 [0,1,0,0,0,0|2,0,0]=3 286 B9R1.15 OCC1=CC=CN=C1F AC181533 [0,1,0,0,0,0|2,0,0]=3 287 B7R1.1 BrCC1=CC=NO1 AC050627 [0,0,0,0,1,0|2,0,0]=3 288 B7R1.1 C#CC1=CC=CS1 LN00184075 [0,0,0,0,1,0|1,0,2]=4 289 B7R1.1 C#CC1=CC=C[CH-]1 AC511482 [0,0,0,0,1,0|1,0,2]=4 290 B7R1.1 C#CC1=CC=C[CH]1 LN00196081 [0,0,0,0,1,0|1,0,2]=4 291 B7R1.1 C#CC1=CSC=C1 AC310135 [0,0,0,0,1,0|1,0,2]=4 292 B7R1.1 C(C1=NC=NN1)O LN02218391 [0,0,0,0,1,0|2,0,0]=3 293 B7R1.1 C1=CC=C([CH-]1)CO LN02135120 [0,0,0,0,1,0|2,0,0]=3 294 B7R1.1 C1=CNC(=C1)C=O LN00008368 [0,0,0,0,1,0|1,0,2]=4 295 B7R1.1 C1=CON=C1CN LN00111972 [0,0,0,0,1,0|2,0,0]=3 296 B7R1.1 C=CC1=NC=CN1 AC280004 [0,0,0,0,1,0|0,0,3]=4 297 B7R1.1 CCN1C=NC=N1 LN00184923 [0,0,0,0,1,0|1,0,0]=2 298 B7R1.1 CNC1=NC=CO1 LN00002575 [0,0,0,0,1,0|2,0,0]=3 299 B7R1.1 CNC1=NOC=C1 LN00001263 [0,0,0,0,1,0|2,0,0]=3 300 B7R1.1 CNC1=NOC=C1 LN00002470 [0,0,0,0,1,0|2,0,0]=3 301 B7R1.1 COC1=CC=CS1 AC130135 [0,0,0,0,1,0|2,0,0]=3 302 B7R1.1 COC1=CSC=C1 AC511563 [0,0,0,0,1,0|2,0,0]=3 303 B7R1.1 CSC1=CNN=C1 LN01331335 [0,0,0,0,1,0|2,0,0]=3 304 B7R1.1 ClCC1=NC=CO1 AC050434 [0,0,0,0,1,0|2,0,0]=3 305 B7R1.1 N#CC1=CC=CN1 AC180934 [0,0,0,0,1,0|1,0,2]=4 306 B7R1.1 N#CC1=CC=CS1 AC511049 [0,0,0,0,1,0|2,0,1]=4 307 B7R1.1 N#CC1=CC=NO1 AC050753 [0,0,0,0,1,0|2,0,1]=4 308 B7R1.1 N#CC1=NC=CS1 AC182437 [0,0,0,0,1,0|2,0,1]=4 309 B7R1.1 N#CC1=NNC=C1 AC511213 [0,0,0,0,1,0|2,0,1]=4 310 B7R1.1 NCC1=CC=CN1 AC182788 [0,0,0,0,1,0|1,0,1]=3 311 B7R1.1 NCC1=CC=CS1 AC510712 [0,0,0,0,1,0|2,0,0]=3 312 B7R1.1 NCC1=CNN=C1 AC050524 [0,0,0,0,1,0|2,0,0]=3 313 B7R1.1 NCC1=CNN=N1 AC010210 [0,0,0,0,1,0|2,0,1]=4 314 B7R1.1 NCC1=CSC=C1 AC181241 [0,0,0,0,1,0|2,0,0]=3 315 B7R1.1 O=CC1=CC=CN1 AC180090 [0,0,0,0,1,0|1,0,2]=4 316 B7R1.1 O=CC1=CC=CS1 AC511013 [0,0,0,0,1,0|2,0,1]=4 317 B7R1.1 O=CC1=CN=CO1 AC051098 [0,0,0,0,1,0|2,0,1]=4 318 B7R1.1 O=CC1=CN=CS1 AC181432 [0,0,0,0,1,0|2,0,1]=4 319 B7R1.1 O=CC1=CNC=C1 AC280042 [0,0,0,0,1,0|1,0,2]=4 320 B7R1.1 O=CC1=CNC=N1 AC180818 [0,0,0,0,1,0|1,0,2]=4 321 B7R1.1 O=CC1=CNN=C1 AC030123 [0,0,0,0,1,0|2,0,1]=4 322 B7R1.1 O=CC1=CSC=C1 AC180098 [0,0,0,0,1,0|2,0,1]=4 323 B7R1.1 O=CC1=CSC=N1 AC511667 [0,0,0,0,1,0|2,0,1]=4 324 B7R1.1 O=CC1=NC=CS1 AC180755 [0,0,0,0,1,0|2,0,1]=4 325 B7R1.1 O=CC1=NNC=C1 AC200098 [0,0,0,0,1,0|2,0,1]=4 326 B7R1.1 OCC1=CC=NO1 AC050733 [0,0,0,0,1,0|2,0,0]=3 327 B7R1.1 OCC1=CN=CN1 AC500303 [0,0,0,0,1,0|1,0,1]=3 328 B7R1.1 OCC1=CN=CO1 AC182363 [0,0,0,0,1,0|2,0,0]=3 329 B7R1.1 OCC1=CNN=C1 AC511994 [0,0,0,0,1,0|2,0,0]=3 330 B7R1.1 OCC1=COC=C1 AC510770 [0,0,0,0,1,0|2,0,0]=3 331 B7R1.1 OCC1=CON=C1 AC051093 [0,0,0,0,1,0|2,0,0]=3 332 B7R1.1 OCC1=CSC=C1 AC180309 [0,0,0,0,1,0|2,0,0]=3 333 B7R1.1 OCC1=CSC=N1 AC190085 [0,0,0,0,1,0|2,0,0]=3 334 B7R1.1 OCC1=NOC=C1 AC190021 [0,0,0,0,1,0|2,0,0]=3 335 B6R0.6 C/C=C/C=C/CO AC220181 [1,0,1,0,0,0|2,0,0]=4 336 B6R1.1 C1=CC=NC=C1 AC130348 [2,0,0,0,0,0|1,0,0]=3 337 B6R1.1 C1=CC=NN=C1 AC510717 [2,0,0,0,0,0|2,0,0]=4 338 B6R1.1 C1=C[C-]=NC=C1 AC310091 [2,0,0,0,0,0|1,0,1]=4 339 B8R1.3 BrC1=CN=C(Br)C=C1 AC180142 [1,1,0,0,0,0|2,0,0]=4 340 B8R1.3 BrC1=CN=C(Br)C=N1 AC182208 [1,1,0,0,0,0|1,0,0]=3 341 B8R1.3 BrC1=CN=C(I)C=C1 AC181090 [1,1,0,0,0,0|2,0,0]=4 342 B8R1.3 BrC1=NC=C(I)C=C1 AC181587 [1,1,0,0,0,0|2,0,0]=4 343 B8R1.3 C1=C(Br)N=CC(=N1)Br LN00010056 [1,1,0,0,0,0|1,0,0]=3 344 B8R1.3 C1=CC(=NC=C1F)Br LN00009037 [1,1,0,0,0,0|2,0,0]=4 345 B8R1.3 C1=CC(=NC=C1I)O LN00124595 [1,1,0,0,0,0|2,0,0]=4 346 B8R1.3 C1=CC(=NC=C1N)Cl LN00008750 [1,1,0,0,0,0|2,0,0]=4 347 B8R1.3 C1=CC(=NC=C1N)F LN00120919 [1,1,0,0,0,0|2,0,0]=4 348 B8R1.3 C1=CC(=NC=C1N)O LN00008570 [1,1,0,0,0,0|2,0,0]=4 349 B8R1.3 C1=CC(=NC=C1O)Br LN00007949 [1,1,0,0,0,0|2,0,0]=4 350 B8R1.3 CC1=CC=C(Cl)N=N1 AC160040 [1,1,0,0,0,0|2,0,0]=4 351 B8R1.3 CC1=CC=C(I)C=C1 AC510888 [1,1,0,0,0,0|2,0,0]=4 352 B8R1.3 CC1=CC=C(O)C=C1 HY-B0969 [1,1,0,0,0,0|2,0,0]=4 353 B8R1.3 CC1=CC=C(O)C=N1 AC511040 [1,1,0,0,0,0|1,0,0]=3 354 B8R1.3 CC1=CN=C(Br)C=C1 AC500069 [1,1,0,0,0,0|1,0,0]=3 355 B8R1.3 CC1=CN=C(Br)N=C1 AC511900 [1,1,0,0,0,0|2,0,0]=4 356 B8R1.3 CC1=CN=C(Cl)C=C1 AC511572 [1,1,0,0,0,0|1,0,0]=3 357 B8R1.3 CC1=CN=C(Cl)C=N1 AC510859 [1,1,0,0,0,0|0,0,0]=2 358 B8R1.3 CC1=CN=C(Cl)N=C1 AC182402 [1,1,0,0,0,0|2,0,0]=4 359 B8R1.3 CC1=CN=C(F)C=C1 AC510699 [1,1,0,0,0,0|1,0,0]=3 360 B8R1.3 CC1=CN=C(N)C=C1 AC180158 [1,1,0,0,0,0|1,0,0]=3 361 B8R1.3 CC1=CN=C(N)C=N1 AC182280 [1,1,0,0,0,0|0,0,0]=2 362 B8R1.3 CC1=CNC(=O)C=C1 LN00005245 [1,1,0,0,0,0|1,0,1]=4 363 B8R1.3 CC1=NC=C(Br)C=N1 AC511167 [1,1,0,0,0,0|2,0,0]=4 364 B8R1.3 CC1=NC=C(C=C1)Br LN00129792 [1,1,0,0,0,0|1,0,0]=3 365 B8R1.3 CC1=NC=C(Cl)C=N1 AC040054 [1,1,0,0,0,0|2,0,0]=4 366 B8R1.3 CC1=NC=C(O)C=N1 AC511982 [1,1,0,0,0,0|2,0,0]=4 367 B8R1.3 CC1=NN=C(N)C=C1 AC181256 [1,1,0,0,0,0|2,0,0]=4 368 B8R1.3 CC1=NNC(=O)C=C1 AC180424 [1,1,0,0,0,0|2,0,0]=4 369 B8R1.3 ClC1=CN=C(Br)C=C1 AC180923 [1,1,0,0,0,0|2,0,0]=4 370 B8R1.3 ClC1=CN=C(Br)C=N1 AC511896 [1,1,0,0,0,0|1,0,0]=3 371 B8R1.3 ClC1=NC=C(Br)C=C1 AC181223 [1,1,0,0,0,0|2,0,0]=4 372 B8R1.3 ClC1=NC=C(I)C=C1 AC181366 [1,1,0,0,0,0|2,0,0]=4 373 B8R1.3 FC1=CC=C(F)N=C1 AC181803 [1,1,0,0,0,0|2,0,0]=4 374 B8R1.3 FC1=CN=C(Br)C=C1 AC510763 [1,1,0,0,0,0|2,0,0]=4 375 B8R1.3 FC1=CN=C(Cl)C=C1 AC510723 [1,1,0,0,0,0|2,0,0]=4 376 B8R1.3 FC1=NC=C(Br)C=C1 AC181369 [1,1,0,0,0,0|2,0,0]=4 377 B8R1.3 FC1=NC=C(I)C=C1 AC500230 [1,1,0,0,0,0|2,0,0]=4 378 B8R1.3 NC1=CC=C(Br)N=C1 AC511492 [1,1,0,0,0,0|2,0,0]=4 379 B8R1.3 NC1=CC=C(Cl)N=C1 AC510819 [1,1,0,0,0,0|2,0,0]=4 380 B8R1.3 NC1=CC=C(F)N=C1 AC181270 [1,1,0,0,0,0|2,0,0]=4 381 B8R1.3 NC1=NC=C(Br)C=C1 AC180157 [1,1,0,0,0,0|2,0,0]=4 382 B8R1.3 NC1=NC=C(Cl)C=C1 AC500167 [1,1,0,0,0,0|2,0,0]=4 383 B8R1.3 NC1=NC=C(I)C=C1 AC511594 [1,1,0,0,0,0|2,0,0]=4 384 B8R1.3 NC1=NC=C(I)N=C1 AC182518 [1,1,0,0,0,0|1,0,0]=3 385 B8R1.3 OC1=CC=C(Br)N=C1 AC181802 [1,1,0,0,0,0|2,0,0]=4 386 B8R1.3 OC1=CC=C(Cl)N=C1 AC130205 [1,1,0,0,0,0|2,0,0]=4 387 B8R1.3 OC1=CN=C(Br)C=N1 AC181950 [1,1,0,0,0,0|1,0,0]=3 388 B8R1.3 OC1=NC=C(Br)C=C1 AC180928 [1,1,0,0,0,0|2,0,0]=4 389 B8R1.4 BrC1=CC(Br)=NC=C1 AC181322 [1,1,0,0,0,0|2,0,0]=4 390 B8R1.4 BrC1=CC=CC(Br)=N1 AC510357 [1,1,0,0,0,0|2,0,0]=4 391 B8R1.4 BrC1=CN=CC(Br)=N1 AC182478 [1,1,0,0,0,0|1,0,0]=3 392 B8R1.4 C1=C(C=NC=C1N)F LN00009794 [1,1,0,0,0,0|2,0,0]=4 393 B8R1.4 C1=CC(=NC(=C1)F)Br LN00125757 [1,1,0,0,0,0|2,0,0]=4 394 B8R1.4 C1=CC(=NC(=C1)N)Cl LN00008045 [1,1,0,0,0,0|2,0,0]=4 395 B8R1.4 C1=CC(=NC(=C1)N)I LN00128490 [1,1,0,0,0,0|2,0,0]=4 396 B8R1.4 C1=CN=C(C=C1Br)Cl LN00007826 [1,1,0,0,0,0|2,0,0]=4 397 B8R1.4 C1=CN=C(C=C1Cl)Br LN00170028 [1,1,0,0,0,0|2,0,0]=4 398 B8R1.4 CC1=CC(=CN=C1)Br LN00008870 [1,1,0,0,0,0|1,0,0]=3 399 B8R1.4 CC1=CC(=O)NC=N1 AC170050 [1,1,0,0,0,0|2,0,0]=4 400 B8R1.4 CC1=CC(=O)NN=C1 AC050579 [1,1,0,0,0,0|2,0,0]=4 401 B8R1.4 CC1=CC(Br)=NC=C1 AC510792 [1,1,0,0,0,0|2,0,0]=4 402 B8R1.4 CC1=CC(C)=NC=N1 AC180136 [1,1,0,0,0,0|2,0,0]=4 403 B8R1.4 CC1=CC(F)=NC=C1 AC511705 [1,1,0,0,0,0|2,0,0]=4 404 B8R1.4 CC1=CC(N)=NC=C1 AC190055 [1,1,0,0,0,0|2,0,0]=4 405 B8R1.4 CC1=CC=CC(F)=N1 AC511694 [1,1,0,0,0,0|1,0,0]=3 406 B8R1.4 CC1=CC=CC(N)=N1 AC500239 [1,1,0,0,0,0|1,0,0]=3 407 B8R1.4 CC1=CC=NC(Cl)=N1 AC180532 [1,1,0,0,0,0|2,0,0]=4 408 B8R1.4 CC1=CN=CC(Br)=C1 AC181288 [1,1,0,0,0,0|1,0,0]=3 409 B8R1.4 CC1=CN=CC(Br)=N1 AC511942 [1,1,0,0,0,0|0,0,0]=2 410 B8R1.4 CC1=CN=CC(Cl)=N1 AC030143 [1,1,0,0,0,0|0,0,0]=2 411 B8R1.4 CC1=CN=CC(N)=C1 AC181783 [1,1,0,0,0,0|1,0,0]=3 412 B8R1.4 CC1=CN=CC(N)=N1 AC511922 [1,1,0,0,0,0|0,0,0]=2 413 B8R1.4 CC1=CN=CC(O)=N1 AC182347 [1,1,0,0,0,0|0,0,0]=2 414 B8R1.4 CC1=NC(Br)=CC=C1 AC180435 [1,1,0,0,0,0|1,0,0]=3 415 B8R1.4 CC1=NC(Cl)=CC=C1 AC180145 [1,1,0,0,0,0|1,0,0]=3 416 B8R1.4 CC1=NC=CC(Br)=C1 AC500262 [1,1,0,0,0,0|1,0,0]=3 417 B8R1.4 CC1=NC=CC(Cl)=C1 AC500323 [1,1,0,0,0,0|1,0,0]=3 418 B8R1.4 CC1=NC=CC(F)=C1 AC511870 [1,1,0,0,0,0|1,0,0]=3 419 B8R1.4 CC1=NC=CC(N)=C1 AC180846 [1,1,0,0,0,0|1,0,0]=3 420 B8R1.4 CC1=NC=NC(Cl)=C1 AC181467 [1,1,0,0,0,0|2,0,0]=4 421 B8R1.4 CC1=NC=NC(N)=C1 AC180849 [1,1,0,0,0,0|2,0,0]=4 422 B8R1.4 ClC1=CC(Cl)=NC=C1 AC130945 [1,1,0,0,0,0|2,0,0]=4 423 B8R1.4 ClC1=CC=NC(Br)=C1 AC181743 [1,1,0,0,0,0|2,0,0]=4 424 B8R1.4 ClC1=CN=CC(Br)=C1 AC181808 [1,1,0,0,0,0|2,0,0]=4 425 B8R1.4 ClC1=NC=CC(Br)=C1 AC181742 [1,1,0,0,0,0|2,0,0]=4 426 B8R1.4 ClC1=NC=CC(I)=C1 AC181346 [1,1,0,0,0,0|2,0,0]=4 427 B8R1.4 FC1=CC(Br)=NC=C1 AC182403 [1,1,0,0,0,0|2,0,0]=4 428 B8R1.4 FC1=CC(F)=CN=C1 AC130331 [1,1,0,0,0,0|2,0,0]=4 429 B8R1.4 FC1=CC(F)=NC=C1 AC511673 [1,1,0,0,0,0|2,0,0]=4 430 B8R1.4 FC1=CC=NC(Cl)=C1 AC511674 [1,1,0,0,0,0|2,0,0]=4 431 B8R1.4 FC1=CN=CC(Br)=C1 AC130339 [1,1,0,0,0,0|2,0,0]=4 432 B8R1.4 FC1=NC(Br)=CC=C1 AC181591 [1,1,0,0,0,0|2,0,0]=4 433 B8R1.4 FC1=NC=CC(Br)=C1 AC181781 [1,1,0,0,0,0|2,0,0]=4 434 B8R1.4 FC1=NC=CC(I)=C1 AC511608 [1,1,0,0,0,0|2,0,0]=4 435 B8R1.4 IC1=CN=CC(I)=N1 AC182421 [1,1,0,0,0,0|1,0,0]=3 436 B8R1.4 NC1=CC(Br)=CC=N1 AC181286 [1,1,0,0,0,0|2,0,0]=4 437 B8R1.4 NC1=CC(Br)=CN=C1 AC181279 [1,1,0,0,0,0|2,0,0]=4 438 B8R1.4 NC1=CC(Br)=NC=C1 AC500084 [1,1,0,0,0,0|2,0,0]=4 439 B8R1.4 NC1=CC(Cl)=CN=C1 AC181695 [1,1,0,0,0,0|2,0,0]=4 440 B8R1.4 NC1=CC(Cl)=NC=C1 AC130302 [1,1,0,0,0,0|2,0,0]=4 441 B8R1.4 NC1=CC(F)=NC=C1 AC510679 [1,1,0,0,0,0|2,0,0]=4 442 B8R1.4 NC1=CC(N)=CN=C1 AC511967 [1,1,0,0,0,0|2,0,0]=4 443 B8R1.4 NC1=CC(N)=NC=C1 AC511205 [1,1,0,0,0,0|2,0,0]=4 444 B8R1.4 NC1=CC(O)=CN=C1 AC182434 [1,1,0,0,0,0|2,0,0]=4 445 B8R1.4 NC1=CC=CC(Br)=N1 AC180750 [1,1,0,0,0,0|2,0,0]=4 446 B8R1.4 NC1=CC=CC(F)=N1 AC181805 [1,1,0,0,0,0|2,0,0]=4 447 B8R1.4 NC1=CN=CC(Cl)=N1 AC180534 [1,1,0,0,0,0|1,0,0]=3 448 B8R1.4 NC1=NC(Br)=CN=C1 AC511206 [1,1,0,0,0,0|1,0,0]=3 449 B8R1.4 NC1=NC(Cl)=CC=C1 AC180936 [1,1,0,0,0,0|2,0,0]=4 450 B8R1.4 NC1=NC(O)=CC=C1 AC180423 [1,1,0,0,0,0|2,0,0]=4 451 B8R1.4 NC1=NC=CC(Cl)=C1 AC500248 [1,1,0,0,0,0|2,0,0]=4 452 B8R1.4 NC1=NC=CC(F)=C1 AC511214 [1,1,0,0,0,0|2,0,0]=4 453 B8R1.4 NC1=NC=CC(O)=C1 AC181799 [1,1,0,0,0,0|2,0,0]=4 454 B8R1.4 OC1=CC(O)=CN=C1 AC181325 [1,1,0,0,0,0|2,0,0]=4 455 B8R1.4 OC1=CC=CC(Br)=N1 AC180929 [1,1,0,0,0,0|2,0,0]=4 456 B8R1.4 OC1=CC=NC(Cl)=C1 AC130253 [1,1,0,0,0,0|2,0,0]=4 457 B8R1.4 OC1=CN=CC(Br)=C1 AC510948 [1,1,0,0,0,0|2,0,0]=4 458 B8R1.4 OC1=CN=CC(F)=C1 AC181586 [1,1,0,0,0,0|2,0,0]=4 459 B8R1.4 OC1=NC(Cl)=CN=C1 AC180873 [1,1,0,0,0,0|1,0,0]=3 460 B8R1.5 BrC1=C(Br)C=NC=C1 AC070112 [1,1,0,0,0,0|2,0,0]=4 461 B8R1.5 BrC1=C(Br)N=CC=C1 AC130165 [1,1,0,0,0,0|2,0,0]=4 462 B8R1.5 C1=C(C(=CN=C1)Cl)I LN00173412 [1,1,0,0,0,0|2,0,0]=4 463 B8R1.5 C1=CC(=C(Cl)N=C1)Cl LN00010714 [1,1,0,0,0,0|2,0,0]=4 464 B8R1.5 C1=CC(=C(F)N=C1)Br LN00145515 [1,1,0,0,0,0|2,0,0]=4 465 B8R1.5 C1=CC(=C(F)N=C1)F LN00008630 [1,1,0,0,0,0|2,0,0]=4 466 B8R1.5 C1=CC(=C(F)N=C1)N LN00124624 [1,1,0,0,0,0|2,0,0]=4 467 B8R1.5 CC1=C(Br)C=CN=C1 AC181859 [1,1,0,0,0,0|1,0,0]=3 468 B8R1.5 CC1=C(Br)C=NC=N1 AC182560 [1,1,0,0,0,0|2,0,0]=4 469 B8R1.5 CC1=C(Br)N=CC=C1 AC510729 [1,1,0,0,0,0|1,0,0]=3 470 B8R1.5 CC1=C(N)C=NC=C1 AC180724 [1,1,0,0,0,0|2,0,0]=4 471 B8R1.5 CC1=C(N)N=CN=C1 AC512148 [1,1,0,0,0,0|2,0,0]=4 472 B8R1.5 CC1=CC=CC=C1I AC510875 [1,1,0,0,0,0|2,0,0]=4 473 B8R1.5 CC1=CC=CN=C1F AC511615 [1,1,0,0,0,0|1,0,0]=3 474 B8R1.5 CC1=CN=CC=C1N AC181305 [1,1,0,0,0,0|1,0,0]=3 475 B8R1.5 CC1=CN=CC=C1N LN00001726 [1,1,0,0,0,0|1,0,0]=3 476 B8R1.5 CC1=CN=CC=C1O AC181809 [1,1,0,0,0,0|1,0,0]=3 477 B8R1.5 CC1=CNC=NC1=O LN00004529 [1,1,0,0,0,0|2,0,0]=4 478 B8R1.5 CC1=NC=CC=C1Br AC180855 [1,1,0,0,0,0|1,0,0]=3 479 B8R1.5 CC1=NC=CC=C1Cl AC181796 [1,1,0,0,0,0|1,0,0]=3 480 B8R1.5 CC1=NC=CC=C1O AC180647 [1,1,0,0,0,0|1,0,0]=3 481 B8R1.5 CC1=NC=CN=C1Cl AC180364 [1,1,0,0,0,0|0,0,0]=2 482 B8R1.5 CC1=NC=CN=C1N AC182349 [1,1,0,0,0,0|0,0,0]=2 483 B8R1.5 CC1=NC=NC=C1N AC182384 [1,1,0,0,0,0|2,0,0]=4 484 B8R1.5 ClC1=C(Cl)C=NC=C1 AC511836 [1,1,0,0,0,0|2,0,0]=4 485 B8R1.5 ClC1=C(I)C=CN=C1 AC180988 [1,1,0,0,0,0|2,0,0]=4 486 B8R1.5 ClC1=CC=CN=C1Br AC511010 [1,1,0,0,0,0|2,0,0]=4 487 B8R1.5 ClC1=NC=CC=C1Br AC180924 [1,1,0,0,0,0|2,0,0]=4 488 B8R1.5 ClC1=NC=CC=C1I AC190287 [1,1,0,0,0,0|2,0,0]=4 489 B8R1.5 FC1=C(Br)C=NC=C1 AC070106 [1,1,0,0,0,0|2,0,0]=4 490 B8R1.5 FC1=C(Cl)C=CN=C1 AC160363 [1,1,0,0,0,0|2,0,0]=4 491 B8R1.5 FC1=CC=CN=C1Br AC130125 [1,1,0,0,0,0|2,0,0]=4 492 B8R1.5 FC1=CC=CN=C1Cl AC510676 [1,1,0,0,0,0|2,0,0]=4 493 B8R1.5 FC1=CN=CC=C1I AC511609 [1,1,0,0,0,0|2,0,0]=4 494 B8R1.5 FC1=NC=CC=C1Br AC181780 [1,1,0,0,0,0|2,0,0]=4 495 B8R1.5 FC1=NC=CC=C1Cl AC181798 [1,1,0,0,0,0|2,0,0]=4 496 B8R1.5 FC1=NC=CC=C1I AC181593 [1,1,0,0,0,0|2,0,0]=4 497 B8R1.5 NC1=C(Br)C=NC=C1 AC181385 [1,1,0,0,0,0|2,0,0]=4 498 B8R1.5 NC1=C(Br)N=CC=C1 AC130122 [1,1,0,0,0,0|2,0,0]=4 499 B8R1.5 NC1=C(Cl)C=CC=N1 AC181688 [1,1,0,0,0,0|2,0,0]=4 500 B8R1.5 NC1=C(I)C=NC=C1 AC181474 [1,1,0,0,0,0|2,0,0]=4 501 B8R1.5 NC1=C(N)C=NC=C1 AC290039 [1,1,0,0,0,0|2,0,0]=4 502 B8R1.5 NC1=C(N)C=NC=C1 HY-14946 [1,1,0,0,0,0|2,0,0]=4 503 B8R1.5 NC1=C(N)N=CC=N1 AC182164 [1,1,0,0,0,0|1,0,0]=3 504 B8R1.5 NC1=CC=CN=C1F AC511535 [1,1,0,0,0,0|2,0,0]=4 505 B8R1.5 NC1=CC=CN=C1N AC180156 [1,1,0,0,0,0|2,0,0]=4 506 B8R1.5 NC1=CC=CN=C1O AC500058 [1,1,0,0,0,0|2,0,0]=4 507 B8R1.5 NC1=CN=CC=C1Cl AC030140 [1,1,0,0,0,0|2,0,0]=4 508 B8R1.5 NC1=NC=CC=C1F AC500260 [1,1,0,0,0,0|2,0,0]=4 509 B8R1.5 NC1=NC=CC=C1I AC181297 [1,1,0,0,0,0|2,0,0]=4 510 B8R1.5 NC1=NC=CC=C1O AC511555 [1,1,0,0,0,0|2,0,0]=4 511 B8R1.5 NC1=NC=CN=C1Br AC511980 [1,1,0,0,0,0|1,0,0]=3 512 B8R1.5 NC1=NC=CN=C1Cl AC510928 [1,1,0,0,0,0|1,0,0]=3 513 B8R1.5 OC1=C(Br)C=CN=C1 AC511252 [1,1,0,0,0,0|2,0,0]=4 514 B8R1.5 OC1=C(Br)C=NC=C1 AC181282 [1,1,0,0,0,0|2,0,0]=4 515 B8R1.5 OC1=C(Cl)C=NC=C1 AC181811 [1,1,0,0,0,0|2,0,0]=4 516 B8R1.5 OC1=C(F)N=CC=C1 AC510678 [1,1,0,0,0,0|2,0,0]=4 517 B8R1.5 OC1=C(I)C=CN=C1 AC182369 [1,1,0,0,0,0|2,0,0]=4 518 B8R1.5 OC1=C(I)N=CC=C1 AC180367 [1,1,0,0,0,0|2,0,0]=4 519 B8R1.5 OC1=CC=CN=C1Br AC130123 [1,1,0,0,0,0|2,0,0]=4 520 B8R1.5 OC1=CC=CN=C1Cl AC190272 [1,1,0,0,0,0|2,0,0]=4 521 B8R1.5 OC1=CC=CN=C1O AC511556 [1,1,0,0,0,0|2,0,0]=4 522 B8R1.5 OC1=NC=CC=C1Br AC181616 [1,1,0,0,0,0|2,0,0]=4 523 B8R1.5 OC1=NC=CC=C1Cl AC181284 [1,1,0,0,0,0|2,0,0]=4 524 B8R1.5 OC1=NC=CC=C1F AC181567 [1,1,0,0,0,0|2,0,0]=4 525 B8R1.1 C(C1=NC(=CS1)Br)N LN02041216 [0,1,0,0,1,0|2,0,0]=4 526 B8R1.1 CC1=CN=C(CO)S1 AC512131 [0,1,0,0,1,0|2,0,0]=4 527 B8R1.1 CC1=NOC(CN)=C1 AC320008 [0,1,0,0,1,0|2,0,0]=4 528 B8R1.1 CC1=NOC(CN)=N1 AC200026 [0,1,0,0,1,0|2,0,0]=4 529 B8R1.1 CCC1=NOC(=C1)N LN00337016 [0,1,0,0,1,0|1,0,0]=3 530 B8R1.1 CCN1C=C(Br)C=N1 AC182237 [0,1,0,0,1,0|1,0,0]=3 531 B8R1.1 CCN1C=C[N+](=C1)C LN00120736 [0,1,0,0,1,0|1,0,1]=4 532 B8R1.1 CCN1C=C[N+](=C1)C LN02184437 [0,1,0,0,1,0|1,0,1]=4 533 B8R1.1 COC1=CC(N)=NO1 AC182433 [0,1,0,0,1,0|2,0,0]=4 534 B8R1.1 COC1=NC(Br)=CS1 AC160355 [0,1,0,0,1,0|2,0,0]=4 535 B8R1.1 COC1=NC=C(Br)S1 AC160442 [0,1,0,0,1,0|2,0,0]=4 536 B8R1.1 CSC1=NC(=CS1)Br LN00169678 [0,1,0,0,1,0|2,0,0]=4 537 B8R1.1 ClCC1=CN=C(Cl)S1 AC181168 [0,1,0,0,1,0|2,0,0]=4 538 B8R1.1 NCC1=CC=C(Br)S1 AC070057 [0,1,0,0,1,0|2,0,0]=4 539 B8R1.1 NCC1=NC(Br)=CS1 AC010235 [0,1,0,0,1,0|2,0,0]=4 540 B8R1.1 NCC1=NC(Br)=CS1 AC050165 [0,1,0,0,1,0|2,0,0]=4 541 B8R1.1 OCC1=CC=C(F)S1 AC050155 [0,1,0,0,1,0|2,0,0]=4 542 B8R1.1 OCC1=NC(Br)=CS1 AC050164 [0,1,0,0,1,0|2,0,0]=4 543 B8R1.7 CC(=O)C1=CC=CS1 AC510514 [0,1,0,0,1,0|1,0,1]=4 544 B8R1.7 CC(=O)C1=CSC=C1 AC500077 [0,1,0,0,1,0|1,0,1]=4 545 B8R1.7 CC(=O)C1=NC=CN1 AC210047 [0,1,0,0,1,0|0,0,2]=4 546 B8R1.7 CC(=O)C1=NC=CS1 AC510705 [0,1,0,0,1,0|1,0,1]=4 547 B8R1.7 CC(C)C1=CC=CO1 LN00338375 [0,1,0,0,1,0|1,0,0]=3 548 B8R1.7 CC(C)C1=NC=CN1 AC130259 [0,1,0,0,1,0|0,0,1]=3 549 B8R1.7 CC(C)N1C=CC=N1 AC130056 [0,1,0,0,1,0|1,0,0]=3 550 B8R1.7 CC(N)C1=NC=CS1 AC182658 [0,1,0,0,1,0|1,0,0]=3 551 B8R1.8 C(#N)CN1C=CN=C1 LN00222560 [0,1,0,0,1,0|1,0,1]=4 552 B8R1.8 C(CO)C1=CSC=C1 LN00188198 [0,1,0,0,1,0|1,0,0]=3 553 B8R1.8 C1=CSC(=C1)CC=O LN01815545 [0,1,0,0,1,0|1,0,1]=4 554 B8R1.8 CNCC1=CSC=C1 AC030026 [0,1,0,0,1,0|1,0,0]=3 555 B8R1.8 N#CCC1=CC=CS1 AC510689 [0,1,0,0,1,0|1,0,1]=4 556 B8R1.8 NCCC1=CC=CO1 AC030027 [0,1,0,0,1,0|1,0,0]=3 557 B8R1.8 NCCC1=CN=CN1 HY-B1204 [0,1,0,0,1,0|0,0,1]=3 558 B8R1.8 NCCC1=CNC=N1 HY-A0129 [0,1,0,0,1,0|0,0,1]=3 559 B8R1.8 NCCC1=NC=NN1 AC320005 [0,1,0,0,1,0|1,0,0]=3 560 B8R1.8 OCCC1=CNN=C1 AC511838 [0,1,0,0,1,0|1,0,0]=3 561 B8R1.8 OCCC1=CSC=C1 AC180238 [0,1,0,0,1,0|1,0,0]=3 562 B8R1.11 CCN1C=NNC1=S LN00005997 [0,1,0,0,1,0|2,0,0]=4 563 B8R1.11 CN1C=CC=C1CN LN00001692 [0,1,0,0,1,0|1,0,1]=4 564 B8R1.11 CN1C=CN=C1CO AC181151 [0,1,0,0,1,0|1,0,1]=4 565 B8R1.11 CN1C=NC=C1CO LN00004478 [0,1,0,0,1,0|1,0,1]=4 566 B8R1.11 CN1N=CN=C1CO AC051196 [0,1,0,0,1,0|2,0,0]=4 567 B8R1.11 NC1=C(CO)SC=C1 AC050128 [0,1,0,0,1,0|2,0,0]=4 568 B10R1.1 C1=C(C=CC(=C1)Br)CCO LN00010340 [0,2,0,0,0,0|2,0,0]=4 569 B10R1.1 C1=C(C=CC(=C1)F)CCO LN00009366 [0,2,0,0,0,0|2,0,0]=4 570 B10R1.1 CCOC1=CC=C(I)C=C1 AC190197 [0,2,0,0,0,0|2,0,0]=4 571 B10R1.1 CNCC1=CC=C(Br)C=C1 AC181858 [0,2,0,0,0,0|2,0,0]=4 572 B10R1.1 CNCC1=CC=C(C)C=C1 AC181832 [0,2,0,0,0,0|2,0,0]=4 573 B10R1.1 CNCC1=CC=C(Cl)C=C1 AC180340 [0,2,0,0,0,0|2,0,0]=4 574 B10R1.1 FC1=CC=C(CCBr)C=C1 AC181747 [0,2,0,0,0,0|2,0,0]=4 575 B10R1.1 FC1=CN=C(CC#N)C=C1 AC040055 [0,2,0,0,0,0|1,0,1]=4 576 B10R1.1 NCCC1=CC=C(Br)C=C1 AC510947 [0,2,0,0,0,0|2,0,0]=4 577 B10R1.1 NCCC1=CC=C(F)C=C1 AC511531 [0,2,0,0,0,0|2,0,0]=4 578 B10R1.1 NCCC1=CC=C(N)C=C1 AC181788 [0,2,0,0,0,0|2,0,0]=4 579 B10R1.1 NCCC1=CC=C(O)C=C1 AC510807 [0,2,0,0,0,0|2,0,0]=4 580 B10R1.1 OCCC1=CC=C(Br)C=C1 AC511093 [0,2,0,0,0,0|2,0,0]=4 581 B10R1.1 OCCC1=CC=C(Cl)C=C1 AC180054 [0,2,0,0,0,0|2,0,0]=4 582 B10R1.1 OCCC1=CC=C(F)C=C1 AC190322 [0,2,0,0,0,0|2,0,0]=4 583 B10R1.3 CCC1=CC=C(C=C1)C#C AC310127 [0,2,0,0,0,0|2,0,0]=4 584 B10R1.3 CCC1=CC=C(NN)C=C1 AC181336 [0,2,0,0,0,0|2,0,0]=4 585 B10R1.3 COC1=CC=C(C=O)C=N1 AC181500 [0,2,0,0,0,0|2,0,0]=4 586 B10R1.3 COC1=CN=C(CO)C=C1 AC511257 [0,2,0,0,0,0|2,0,0]=4 587 B10R1.3 COC1=NC=C(NN)C=C1 AC511963 [0,2,0,0,0,0|2,0,0]=4 588 B10R1.13 C1=NC(=CN=C1C(=O)O)Br LN00171312 [0,2,0,0,0,0|1,0,1]=4 589 B10R1.13 C1=NC(=CN=C1C(=O)O)N LN00159244 [0,2,0,0,0,0|1,0,1]=4 590 B10R1.13 CC(=O)C1=CC=C(Br)N=C1 AC511499 [0,2,0,0,0,0|1,0,1]=4 591 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 AC181609 [0,2,0,0,0,0|1,0,1]=4 592 B10R1.13 CC(=O)C1=CC=C(F)N=C1 AC182130 [0,2,0,0,0,0|1,0,1]=4 593 B10R1.13 CC(=O)C1=CC=C(O)N=C1 AC182574 [0,2,0,0,0,0|1,0,1]=4 594 B10R1.13 CC(=O)C1=CN=C(C=C1)Br LN00170457 [0,2,0,0,0,0|1,0,1]=4 595 B10R1.13 CC(=O)C1=NC=C(Br)C=C1 AC181883 [0,2,0,0,0,0|1,0,1]=4 596 B10R1.13 CC(C)C1=NC=C(C=C1)N LN00179988 [0,2,0,0,0,0|1,0,0]=3 597 B10R1.13 CC(O)C1=CC=C(C)N=C1 AC020061 [0,2,0,0,0,0|1,0,0]=3 598 B10R1.13 C[C@@H](C1=NC=C(C=C1)Br)N LN02000998 [0,2,0,0,0,0|1,0,0]=3 599 B10R1.13 C[C@@H](N)C1=CC=C(Br)C=C1 AC020028 [0,2,0,0,0,0|2,0,0]=4 600 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 AC050507 [0,2,0,0,0,0|2,0,0]=4 601 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 AC050523 [0,2,0,0,0,0|2,0,0]=4 602 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 AC020207 [0,2,0,0,0,0|2,0,0]=4 603 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 AC500284 [0,2,0,0,0,0|2,0,0]=4 604 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 AC020024 [0,2,0,0,0,0|2,0,0]=4 605 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 AC050617 [0,2,0,0,0,0|2,0,0]=4 606 B10R1.13 C[C@H](N)C1=NC=C(F)C=N1 AC020930 [0,2,0,0,0,0|2,0,0]=4 607 B10R1.13 NC(=O)C1=NC=C(Cl)N=C1 AC182570 [0,2,0,0,0,0|1,0,1]=4 608 B10R1.13 OC(=O)C1=NC=C(O)N=C1 HY-76210 [0,2,0,0,0,0|1,0,1]=4 609 B10R1.25 C1=C(C(=CN=C1Cl)CO)N LN01359308 [0,2,0,0,0,0|2,0,0]=4 610 B10R1.25 CC1=NC(F)=CC=C1CO AC210027 [0,2,0,0,0,0|2,0,0]=4 611 B10R1.25 COC1=C(C)C=C(N)C=N1 AC181867 [0,2,0,0,0,0|2,0,0]=4 612 B10R1.25 COC1=NC=C(Br)C=C1Br AC181891 [0,2,0,0,0,0|2,0,0]=4 613 B10R1.25 COC1=NC=C(Br)C=C1C AC020153 [0,2,0,0,0,0|2,0,0]=4 614 B10R1.25 COC1=NC=C(Br)C=C1Cl AC510968 [0,2,0,0,0,0|2,0,0]=4 615 B10R1.25 COC1=NC=C(Br)C=C1F AC070092 [0,2,0,0,0,0|2,0,0]=4 616 B10R1.25 COC1=NC=C(Br)C=C1N AC020839 [0,2,0,0,0,0|2,0,0]=4 617 B10R1.25 COC1=NC=C(Cl)C=C1Br AC070119 [0,2,0,0,0,0|2,0,0]=4 618 B10R1.25 COC1=NC=C(F)C=C1Br AC181865 [0,2,0,0,0,0|2,0,0]=4 619 B10R1.176 COC1=CC=C(N)C(Br)=N1 AC070096 [0,2,0,0,0,0|2,0,0]=4 620 B10R1.176 COC1=NC(C)=C(Br)C=C1 AC181561 [0,2,0,0,0,0|2,0,0]=4 621 B10R1.176 COC1=NC=C(Br)C(C)=C1 AC511547 [0,2,0,0,0,0|2,0,0]=4 622 B10R1.10 CC1=CC(=CC=C1)CCO LN00183333 [0,2,0,0,0,0|2,0,0]=4 623 B10R1.10 CCCC1=CC(N)=CC=C1 AC160362 [0,2,0,0,0,0|2,0,0]=4 624 B10R1.10 CCCC1=NC=CC(=C1)Br LN02162802 [0,2,0,0,0,0|1,0,0]=3 625 B10R1.10 CCOC1=CC=CC(N)=C1 AC020532 [0,2,0,0,0,0|2,0,0]=4 626 B10R1.10 CCOC1=NC=CC(N)=C1 AC180955 [0,2,0,0,0,0|1,0,0]=3 627 B10R1.10 CNCC1=CC=CC(Br)=C1 AC181856 [0,2,0,0,0,0|2,0,0]=4 628 B10R1.10 CNCC1=CC=CC(F)=C1 AC181857 [0,2,0,0,0,0|2,0,0]=4 629 B10R1.10 COCC1=NC=CC(N)=N1 AC182595 [0,2,0,0,0,0|2,0,0]=4 630 B10R1.10 NCCC1=CC(Cl)=CC=C1 AC511209 [0,2,0,0,0,0|2,0,0]=4 631 B10R1.10 NCCC1=CC=CC(O)=C1 AC180433 [0,2,0,0,0,0|2,0,0]=4 632 B10R1.10 OCCC1=CC(Cl)=CC=C1 AC180053 [0,2,0,0,0,0|2,0,0]=4 633 B10R1.30 CC1=CC=C(O)C(CCl)=N1 AC020394 [0,2,0,0,0,0|2,0,0]=4 634 B10R1.30 CC1=CC=C(O)C(CO)=N1 AC021314 [0,2,0,0,0,0|2,0,0]=4 635 B10R1.30 CCC1=CC(=CC=C1F)Br LN01279639 [0,2,0,0,0,0|2,0,0]=4 636 B10R1.30 CCC1=CC(Br)=CC=C1N AC021532 [0,2,0,0,0,0|2,0,0]=4 637 B10R1.30 CCC1=NC(C)=CC=C1O AC181021 [0,2,0,0,0,0|1,0,0]=3 638 B10R1.30 COC1=CC(Br)=CN=C1Cl AC182231 [0,2,0,0,0,0|2,0,0]=4 639 B10R1.30 COC1=NC(Br)=CN=C1I AC070030 [0,2,0,0,0,0|1,0,0]=3 640 B10R1.30 COC1=NC(C)=CC=C1N AC181576 [0,2,0,0,0,0|2,0,0]=4 641 B10R1.30 ClC1=CN=C(Cl)C(=N1)C#N AC021297 [0,2,0,0,0,0|1,0,1]=4 642 B10R1.30 NC1=NC=C(Br)C=C1CO AC181903 [0,2,0,0,0,0|2,0,0]=4 643 B10R1.113 CC(=O)C1=CC=CC(=N1)Br LN00004057 [0,2,0,0,0,0|1,0,1]=4 644 B10R1.113 CC(=O)C1=CN=CC(Br)=C1 AC511684 [0,2,0,0,0,0|1,0,1]=4 645 B10R1.113 CC(=O)C1=NC(Br)=CC=C1 AC180989 [0,2,0,0,0,0|1,0,1]=4 646 B10R1.113 CC(=O)C1=NC(C)=CC=C1 AC181994 [0,2,0,0,0,0|1,0,1]=4 647 B10R1.113 CC(C1=CC(=CC=C1)Br)N LN01347982 [0,2,0,0,0,0|2,0,0]=4 648 B10R1.113 CC(N)C1=CC(O)=CC=C1 AC020799 [0,2,0,0,0,0|2,0,0]=4 649 B10R1.113 CC(N)C1=CC=CC(Br)=C1 AC021480 [0,2,0,0,0,0|2,0,0]=4 650 B10R1.113 CC(N)C1=CC=CC(Br)=C1 AC182169 [0,2,0,0,0,0|2,0,0]=4 651 B10R1.113 CC1=CN=CC(=N1)C(O)=O AC182346 [0,2,0,0,0,0|1,0,1]=4 652 B10R1.113 CC1=NC(=CN=C1)C(=O)O LN00010207 [0,2,0,0,0,0|1,0,1]=4 653 B10R1.113 CN(C)C1=NC(Cl)=CN=C1 AC512180 [0,2,0,0,0,0|1,0,0]=3 654 B10R1.113 C[C@@H](N)C1=CC=CC(Br)=C1 AC511565 [0,2,0,0,0,0|2,0,0]=4 655 B10R1.113 C[C@H](N)C1=CC(Br)=CC=C1 AC020029 [0,2,0,0,0,0|2,0,0]=4 656 B10R1.113 NC1=CN=CC(=N1)C(O)=O AC182576 [0,2,0,0,0,0|1,0,1]=4 657 B10R1.172 BrCC1=CC=CC(CBr)=N1 AC280015 [0,2,0,0,0,0|2,0,0]=4 658 B10R1.172 COC1=CC=CC(=N1)C=O LN00008867 [0,2,0,0,0,0|2,0,0]=4 659 B10R1.172 COC1=CN=CC(C=O)=C1 AC182140 [0,2,0,0,0,0|2,0,0]=4 660 B10R1.172 COC1=CN=CC(OC)=C1 AC160324 [0,2,0,0,0,0|2,0,0]=4 661 B10R1.172 COC1=NC(C=O)=CC=C1 AC181904 [0,2,0,0,0,0|2,0,0]=4 662 B10R1.172 COC1=NC=CC(C=O)=C1 AC190135 [0,2,0,0,0,0|2,0,0]=4 663 B10R1.172 COC1=NC=CC(CO)=C1 AC512003 [0,2,0,0,0,0|2,0,0]=4 664 B10R1.172 ClCC1=CC=CC(=N1)C#N AC182547 [0,2,0,0,0,0|2,0,0]=4 665 B10R1.15 BrCC(=O)C1=NC=CC=C1 AC190303 [0,2,0,0,0,0|1,0,1]=4 666 B10R1.15 C/C(=N\O)C1=CC=CN=C1 AC170016 [0,2,0,0,0,0|1,0,1]=4 667 B10R1.15 C1=CC(=NC=C1)C(=O)CBr LN00004265 [0,2,0,0,0,0|1,0,1]=4 668 B10R1.15 C1=CC=C(C=C1)[C@@H](CO)O LN00236000 [0,2,0,0,0,0|2,0,0]=4 669 B10R1.15 C1=NC=C(C(=O)NN)N=C1 LN00006178 [0,2,0,0,0,0|1,0,1]=4 670 B10R1.15 CC(C=O)C1=CC=CC=C1 AC190221 [0,2,0,0,0,0|2,0,0]=4 671 B10R1.15 CCC(C1=CC=CC=C1)Br LN01357533 [0,2,0,0,0,0|2,0,0]=4 672 B10R1.15 COC(=O)C1=CC=CN=C1 AC190178 [0,2,0,0,0,0|1,0,1]=4 673 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 AC510841 [0,2,0,0,0,0|2,0,0]=4 674 B10R1.15 NNC(=O)C1=NC=CN=C1 AC190001 [0,2,0,0,0,0|1,0,1]=4 675 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 AC180222 [0,2,0,0,0,0|2,0,0]=4 676 B10R1.15 N[C@H](CO)C1=CC=CC=C1 AC131619 [0,2,0,0,0,0|2,0,0]=4 677 B10R1.28 CC(C)(N)C1=CC=CC=C1 AC500102 [0,2,0,0,0,0|2,0,0]=4 678 B10R1.28 CC(C)(N)C1=CC=CN=C1 AC182353 [0,2,0,0,0,0|1,0,0]=3 679 B10R1.28 FC(F)(F)C1=CC=CN=C1 AC220128 [0,2,0,0,0,0|2,0,0]=4 680 B10R1.28 FC(F)(F)C1=NC=CC=C1 AC181450 [0,2,0,0,0,0|2,0,0]=4 681 B10R1.61 C1=NC(=C(Cl)N=C1)C(=O)O LN00009177 [0,2,0,0,0,0|1,0,1]=4 682 B10R1.61 C1=NC(=C(N=C1)O)C(=O)N LN00227281 [0,2,0,0,0,0|1,0,1]=4 683 B10R1.61 CC(=O)C1=CC=CN=C1Cl AC181741 [0,2,0,0,0,0|1,0,1]=4 684 B10R1.61 CC(C)C1=C(N)N=CC=C1 AC010483 [0,2,0,0,0,0|1,0,0]=3 685 B10R1.61 CC1=NC=CN=C1C(O)=O AC182348 [0,2,0,0,0,0|1,0,1]=4 686 B10R1.61 C[C@@H](O)C1=C(Cl)C=CC=C1 AC020783 [0,2,0,0,0,0|2,0,0]=4 687 B10R1.61 C[C@H](C1=CC=CC=C1Br)N LN02156247 [0,2,0,0,0,0|2,0,0]=4 688 B10R1.61 C[C@H](N)C1=CC=CC=C1F AC181536 [0,2,0,0,0,0|2,0,0]=4 689 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=C1 AC020784 [0,2,0,0,0,0|2,0,0]=4 690 B10R1.61 C[C@H](O)C1=CC=CN=C1N AC020958 [0,2,0,0,0,0|1,0,0]=3 691 B10R1.61 NC(=O)C1=NC=CN=C1Cl AC182491 [0,2,0,0,0,0|1,0,1]=4 692 B10R1.61 NC(=O)C1=NC=CN=C1[O-] AC021296 [0,2,0,0,0,0|1,0,1]=4 693 B10R1.61 OC(=O)C1=NC=CN=C1Br AC512171 [0,2,0,0,0,0|1,0,1]=4 694 B10R1.61 OC(=O)C1=NC=CN=C1Cl AC210043 [0,2,0,0,0,0|1,0,1]=4 695 B10R1.4 C1=CC(=C(CC#N)N=C1)Br LN01807755 [0,2,0,0,0,0|1,0,1]=4 696 B10R1.4 C1=CC(=C(CC#N)N=C1)F LN02162536 [0,2,0,0,0,0|1,0,1]=4 697 B10R1.4 C1=CC=C(C(=C1)CCO)Br LN00142608 [0,2,0,0,0,0|2,0,0]=4 698 B10R1.4 C1=CC=C(C(=C1)CCO)Cl LN00192290 [0,2,0,0,0,0|2,0,0]=4 699 B10R1.4 CCOC1=CC=CC=C1N AC190317 [0,2,0,0,0,0|2,0,0]=4 700 B10R1.4 NCCC1=CC=CC=C1N AC070086 [0,2,0,0,0,0|2,0,0]=4 701 B10R1.4 NCCC1=CC=CC=C1O AC050448 [0,2,0,0,0,0|2,0,0]=4 702 B10R1.4 OCCC1=CC=CC=C1Br AC180682 [0,2,0,0,0,0|2,0,0]=4 703 B10R1.17 CNCCC1=CC=CC=N1 HY-B0524A [0,2,0,0,0,0|1,0,0]=3 704 B10R1.17 COCOC1=CN=CC=C1 AC080496 [0,2,0,0,0,0|1,0,0]=3 705 B10R1.17 NCCOC1=CC=CC=C1 AC180524 [0,2,0,0,0,0|2,0,0]=4 706 B10R1.17 NCCOC1=CC=CN=C1 AC182690 [0,2,0,0,0,0|1,0,0]=3 707 B10R1.17 NCCOC1=NC=CC=C1 AC180673 [0,2,0,0,0,0|1,0,0]=3 708 B10R1.17 NNCCC1=CC=CC=C1 HY-B1018 [0,2,0,0,0,0|2,0,0]=4 709 B10R1.17 NNCCC1=CC=CC=C1 HY-B1018A [0,2,0,0,0,0|2,0,0]=4 710 B10R1.17 OCCCC1=NC=CC=C1 AC040196 [0,2,0,0,0,0|1,0,0]=3 711 B10R1.18 CC(=O)CC1=NC=CC=C1 AC511843 [0,2,0,0,0,0|1,0,0]=3 712 B10R1.18 OC(=O)CC1=CC=CN=C1 AC290044 [0,2,0,0,0,0|1,0,1]=4 713 B10R1.20 COC1=NC=CC=C1C#N LN00005668 [0,2,0,0,0,0|2,0,0]=4 714 B10R1.20 COC1=NC=CC=C1C=O AC190310 [0,2,0,0,0,0|2,0,0]=4 715 B10R1.20 COC1=NC=CC=C1CCl LN00003497 [0,2,0,0,0,0|2,0,0]=4 716 B10R1.20 NNC1=C(CO)C=CC=N1 AC010431 [0,2,0,0,0,0|2,0,0]=4 717 B10R2.7 C1=CC2=C(N=C1)NCC2 LN00151014 [0,1,0,1,0,0|1,0,0]=3 718 B10R2.7 C1CC2=C(C1)N=CC=C2 AC180116 [0,1,0,1,0,0|1,0,0]=3 719 B10R2.7 C1CC2=C(N1)C=CC=C2 AC500074 [0,1,0,1,0,0|2,0,0]=4 720 B10R2.7 C1CC2=C(N1)N=CC=C2 AC020599 [0,1,0,1,0,0|1,0,0]=3 721 B10R2.7 C1CC2=CC=CC=C2O1 AC020850 [0,1,0,1,0,0|2,0,0]=4 722 B10R2.7 C1CC2=CC=CN=C2N1 AC021071 [0,1,0,1,0,0|1,0,0]=3 723 B10R2.7 C1NCC2=C1C=CC=C2 AC181687 [0,1,0,1,0,0|2,0,0]=4 724 B10R2.7 C1NCC2=CN=CC=C12 AC182745 [0,1,0,1,0,0|1,0,0]=3 725 B10R2.7 C1OCC2=C1C=CC=C2 AC010325 [0,1,0,1,0,0|2,0,0]=4 726 B10R2.7 N1C=CC2=C1N=CC=N2 AC170034 [0,1,0,1,0,0|0,0,2]=4 727 B6R1.2 BrC1=CN=CS1 AC130295 [1,0,0,0,1,0|2,0,0]=4 728 B6R1.2 BrC1=CNC=N1 AC180482 [1,0,0,0,1,0|1,0,1]=4 729 B6R1.2 BrC1=CNN=C1 AC500255 [1,0,0,0,1,0|2,0,0]=4 730 B6R1.2 BrC1=COC=C1 AC130126 [1,0,0,0,1,0|2,0,0]=4 731 B6R1.2 BrC1=CSC=C1 AC510982 [1,0,0,0,1,0|2,0,0]=4 732 B6R1.2 BrC1=CSC=N1 AC130293 [1,0,0,0,1,0|2,0,0]=4 733 B6R1.2 BrC1=NC=CN1 AC500229 [1,0,0,0,1,0|1,0,1]=4 734 B6R1.2 BrC1=NC=CS1 AC130296 [1,0,0,0,1,0|2,0,0]=4 735 B6R1.2 BrC1=NNC=C1 AC181278 [1,0,0,0,1,0|2,0,0]=4 736 B6R1.2 BrC1=NNC=N1 AC511086 [1,0,0,0,1,0|2,0,0]=4 737 B6R1.2 C1=C(Br)NN=C1 LN00003049 [1,0,0,0,1,0|2,0,0]=4 738 B6R1.2 C1=C(C=NN1)I LN00008748 [1,0,0,0,1,0|2,0,0]=4 739 B6R1.2 C1=CON=C1Br LN00190967 [1,0,0,0,1,0|2,0,0]=4 740 B6R1.2 C1=CSC(=N1)Br LN00004618 [1,0,0,0,1,0|2,0,0]=4 741 B6R1.2 C1=CSC=C1I LN00177299 [1,0,0,0,1,0|2,0,0]=4 742 B6R1.2 C1=NNN=C1Br LN00003191 [1,0,0,0,1,0|2,0,0]=4 743 B6R1.2 C1=NSC(=N1)Br LN00175159 [1,0,0,0,1,0|2,0,0]=4 744 B6R1.2 C1=NSC=C1Br LN00183425 [1,0,0,0,1,0|2,0,0]=4 745 B6R1.2 CC1=CN=CN1 AC190147 [1,0,0,0,1,0|0,0,1]=3 746 B6R1.2 CC1=CN=CS1 AC510736 [1,0,0,0,1,0|1,0,0]=3 747 B6R1.2 CC1=CNN=C1 AC130170 [1,0,0,0,1,0|1,0,0]=3 748 B6R1.2 CC1=CNN=C1 HY-B0876 [1,0,0,0,1,0|1,0,0]=3 749 B6R1.2 CC1=CSC=N1 AC130333 [1,0,0,0,1,0|1,0,0]=3 750 B6R1.2 CC1=NC=CS1 AC180527 [1,0,0,0,1,0|1,0,0]=3 751 B6R1.2 CC1=NNC=C1 AC130325 [1,0,0,0,1,0|1,0,0]=3 752 B6R1.2 CC1=NNC=N1 AC021370 [1,0,0,0,1,0|1,0,0]=3 753 B6R1.2 CN1C=CC=C1 AC130318 [1,0,0,0,1,0|2,0,0]=4 754 B6R1.2 CN1C=CN=C1 AC130869 [1,0,0,0,1,0|1,0,0]=3 755 B6R1.2 CN1C=CN=N1 LN00159495 [1,0,0,0,1,0|2,0,0]=4 756 B6R1.2 CN1C=NC=N1 AC130334 [1,0,0,0,1,0|1,0,0]=3 757 B6R1.2 CN1C=NC=N1 LN00004617 [1,0,0,0,1,0|1,0,0]=3 758 B6R1.2 ClC1=CNN=C1 AC180803 [1,0,0,0,1,0|2,0,0]=4 759 B6R1.2 ClC1=NC=CS1 AC180884 [1,0,0,0,1,0|2,0,0]=4 760 B6R1.2 ClC1=NC=NS1 AC512114 [1,0,0,0,1,0|2,0,0]=4 761 B6R1.2 IC1=CC=CS1 AC510730 [1,0,0,0,1,0|2,0,0]=4 762 B6R1.2 IC1=CN=CN1 AC181272 [1,0,0,0,1,0|1,0,1]=4 763 B6R1.2 IC1=NNC=C1 AC040037 [1,0,0,0,1,0|2,0,0]=4 764 B6R1.2 NC1=CNN=C1 AC511640 [1,0,0,0,1,0|2,0,0]=4 765 B6R1.2 NC1=CSC=C1 AC010284 [1,0,0,0,1,0|2,0,0]=4 766 B6R1.2 NC1=NC=CN1 AC180296 [1,0,0,0,1,0|1,0,1]=4 767 B6R1.2 NC1=NC=CO1 AC182080 [1,0,0,0,1,0|2,0,0]=4 768 B6R1.2 NC1=NC=CS1 HY-12396 [1,0,0,0,1,0|2,0,0]=4 769 B6R1.2 NC1=NC=NS1 AC182784 [1,0,0,0,1,0|2,0,0]=4 770 B6R1.2 NC1=NNC=C1 AC130171 [1,0,0,0,1,0|2,0,0]=4 771 B6R1.2 OC1=CC=NN1 AC200038 [1,0,0,0,1,0|2,0,0]=4