0 B7R1.2 BrC1=CC=C(Br)S1 HR130516 [0,0,0,0,0,0|2,1,0]=3 1 B7R1.2 BrC1=CC=C(I)S1 HR117988 [0,0,0,0,0,0|2,1,0]=3 2 B7R1.2 BrC1=CN=C(Br)S1 HR107134 [0,0,0,0,0,0|3,1,0]=4 3 B7R1.2 BrC1=CNC(Br)=N1 HR146364 [0,0,0,0,0,0|4,0,0]=4 4 B7R1.2 BrC1=COC(Br)=C1 HR146341 [0,0,0,0,0,0|4,0,0]=4 5 B7R1.2 BrC1=CSC(Br)=C1 HR124329 [0,0,0,0,0,0|4,0,0]=4 6 B7R1.2 BrC1=CSC(Br)=N1 HR135173 [0,0,0,0,0,0|4,0,0]=4 7 B7R1.2 BrC1=NC=C(I)S1 HR114357 [0,0,0,0,0,0|3,1,0]=4 8 B7R1.2 CC1=CC(=O)CC1 HR137516 [0,0,0,0,0,0|2,0,2]=4 9 B7R1.2 CC1=CC(=O)CO1 HR119186 [0,0,0,0,0,0|3,0,1]=4 10 B7R1.2 CC1=CC(=O)NN1 HR133409 [0,0,0,0,0,0|4,0,0]=4 11 B7R1.2 CC1=CC(=O)OC1 HR118210 [0,0,0,0,0,0|3,0,1]=4 12 B7R1.2 CC1=CC(Br)=CS1 HR129329 [0,0,0,0,0,0|3,0,0]=3 13 B7R1.2 CC1=CC(Br)=NN1 HR109901 [0,0,0,0,0,0|4,0,0]=4 14 B7R1.2 CC1=CC(C)=NN1 HR122101 [0,0,0,0,0,0|3,0,0]=3 15 B7R1.2 CC1=CC(C)=NO1 HR126201 [0,0,0,0,0,0|3,0,0]=3 16 B7R1.2 CC1=CC(N)=CS1 HR107971 [0,0,0,0,0,0|3,0,0]=3 17 B7R1.2 CC1=CC(N)=NN1 HR128329 [0,0,0,0,0,0|4,0,0]=4 18 B7R1.2 CC1=CC(N)=NO1 HR134442 [0,0,0,0,0,0|4,0,0]=4 19 B7R1.2 CC1=CC=C(Br)O1 HR117458 [0,0,0,0,0,0|1,0,0]=1 20 B7R1.2 CC1=CC=C(Br)S1 HR138580 [0,0,0,0,0,0|1,1,0]=2 21 B7R1.2 CC1=CC=C(C)N1 HR127998 [0,0,0,0,0,0|1,0,0]=1 22 B7R1.2 CC1=CC=C(C)S1 HR126900 [0,0,0,0,0,0|0,1,0]=1 23 B7R1.2 CC1=CC=C(Cl)S1 HR122756 [0,0,0,0,0,0|1,1,0]=2 24 B7R1.2 CC1=CC=C(I)S1 HR103673 [0,0,0,0,0,0|1,1,0]=2 25 B7R1.2 CC1=CCC(=O)O1 HR136942 [0,0,0,0,0,0|1,0,1]=2 26 B7R1.2 CC1=CN(C)N=C1 HR139700 [0,0,0,0,0,0|3,0,0]=3 27 B7R1.2 CC1=CN=C(Br)S1 HR106549 [0,0,0,0,0,0|2,1,0]=3 28 B7R1.2 CC1=CN=C(C)S1 HR137694 [0,0,0,0,0,0|1,1,0]=2 29 B7R1.2 CC1=CN=C(Cl)S1 HR146612 [0,0,0,0,0,0|2,1,0]=3 30 B7R1.2 CC1=CN=C(N)N1 HR113658 [0,0,0,0,0,0|3,0,0]=3 31 B7R1.2 CC1=CN=C(N)O1 HR115333 [0,0,0,0,0,0|2,0,0]=2 32 B7R1.2 CC1=CN=C(N)S1 HR132017 [0,0,0,0,0,0|2,1,0]=3 33 B7R1.2 CC1=CNC(C)=C1 HR129042 [0,0,0,0,0,0|2,0,0]=2 34 B7R1.2 CC1=CNC(C)=N1 HR126305 [0,0,0,0,0,0|2,0,0]=2 35 B7R1.2 CC1=CNC(I)=N1 HR122057 [0,0,0,0,0,0|3,0,0]=3 36 B7R1.2 CC1=COC(N)=N1 HR115657 [0,0,0,0,0,0|3,0,0]=3 37 B7R1.2 CC1=CSC(Br)=N1 HR115963 [0,0,0,0,0,0|3,0,0]=3 38 B7R1.2 CC1=CSC(C)=C1 HR101719 [0,0,0,0,0,0|2,0,0]=2 39 B7R1.2 CC1=CSC(C)=N1 HR133885 [0,0,0,0,0,0|2,0,0]=2 40 B7R1.2 CC1=CSC(N)=C1 HR103206 [0,0,0,0,0,0|3,0,0]=3 41 B7R1.2 CC1=CSC(N)=N1 HR100077 [0,0,0,0,0,0|3,0,0]=3 42 B7R1.2 CC1=CSC(N)=N1 HR125241 [0,0,0,0,0,0|3,0,0]=3 43 B7R1.2 CC1=NC(Br)=CN1 HR138270 [0,0,0,0,0,0|3,0,0]=3 44 B7R1.2 CC1=NC(Br)=CS1 HR108281 [0,0,0,0,0,0|3,0,0]=3 45 B7R1.2 CC1=NC(I)=CN1 HR111898 [0,0,0,0,0,0|3,0,0]=3 46 B7R1.2 CC1=NC(I)=CS1 HR30651 [0,0,0,0,0,0|3,0,0]=3 47 B7R1.2 CC1=NC=C(Br)S1 HR106603 [0,0,0,0,0,0|2,1,0]=3 48 B7R1.2 CC1=NC=C(I)S1 HR30443 [0,0,0,0,0,0|2,1,0]=3 49 B7R1.2 CC1=NC=C(N)S1 HR118663 [0,0,0,0,0,0|2,1,0]=3 50 B7R1.2 CC1=NN(C)C=C1 HR9119 [0,0,0,0,0,0|2,0,0]=2 51 B7R1.2 CC1=NN=C(Br)S1 HR146611 [0,0,0,0,0,0|3,1,0]=4 52 B7R1.2 CC1=NN=C(N)N1 HR32428 [0,0,0,0,0,0|4,0,0]=4 53 B7R1.2 CC1=NN=C(N)S1 HR137664 [0,0,0,0,0,0|3,1,0]=4 54 B7R1.2 CC1=NNC(=O)C1 HR133577 [0,0,0,0,0,0|4,0,0]=4 55 B7R1.2 CC1=NNC(=O)O1 HR134101 [0,0,0,0,0,0|3,0,0]=3 56 B7R1.2 CC1=NNC(=S)S1 HR138655 [0,0,0,0,0,0|3,1,0]=4 57 B7R1.2 CC1=NNC(C)=N1 HR121391 [0,0,0,0,0,0|3,0,0]=3 58 B7R1.2 CC1=NNC(Cl)=C1 HR121939 [0,0,0,0,0,0|4,0,0]=4 59 B7R1.2 CC1=NOC(N)=C1 HR125110 [0,0,0,0,0,0|4,0,0]=4 60 B7R1.2 CC1=NOC(N)=N1 HR118723 [0,0,0,0,0,0|4,0,0]=4 61 B7R1.2 CC1=NSC(Cl)=N1 HR109530 [0,0,0,0,0,0|4,0,0]=4 62 B7R1.2 CC1=NSC(N)=C1 HR105438 [0,0,0,0,0,0|4,0,0]=4 63 B7R1.2 CC1=NSC(N)=C1 HR105753 [0,0,0,0,0,0|4,0,0]=4 64 B7R1.2 CC1=NSC(N)=N1 HR137823 [0,0,0,0,0,0|4,0,0]=4 65 B7R1.2 CC1CCC(=O)O1 HR126256 [0,0,0,0,0,0|1,0,3]=4 66 B7R1.2 CC1COC(=O)O1 HR125363 [0,0,0,0,0,0|2,0,2]=4 67 B7R1.2 CC1COC(=O)O1 HR128407 [0,0,0,0,0,0|2,0,2]=4 68 B7R1.2 CC1COC(=O)O1 HR129273 [0,0,0,0,0,0|2,0,2]=4 69 B7R1.2 CC1COC(C)O1 HR111400 [0,0,0,0,0,0|1,0,3]=4 70 B7R1.2 CN1C=C(Br)C=N1 HR138517 [0,0,0,0,0,0|4,0,0]=4 71 B7R1.2 CN1C=C(Cl)C=N1 HR147855 [0,0,0,0,0,0|4,0,0]=4 72 B7R1.2 CN1C=C(I)C=N1 HR108777 [0,0,0,0,0,0|4,0,0]=4 73 B7R1.2 CN1C=C(N)C=N1 HR120667 [0,0,0,0,0,0|4,0,0]=4 74 B7R1.2 CN1C=C(N)C=N1 HR147768 [0,0,0,0,0,0|4,0,0]=4 75 B7R1.2 CN1C=CC(Br)=N1 HR119318 [0,0,0,0,0,0|3,0,0]=3 76 B7R1.2 CN1C=CC(I)=N1 HR32790 [0,0,0,0,0,0|3,0,0]=3 77 B7R1.2 CN1C=CC(N)=N1 HR9118 [0,0,0,0,0,0|3,0,0]=3 78 B7R1.2 CN1C=C[N+](C)=C1 HR103731 [0,0,0,0,0,0|3,0,0]=3 79 B7R1.2 CN1C=NC(Br)=C1 HR103329 [0,0,0,0,0,0|4,0,0]=4 80 B7R1.2 CN1C=NC(Br)=N1 HR103339 [0,0,0,0,0,0|4,0,0]=4 81 B7R1.2 CN1C=NC(I)=C1 HR128597 [0,0,0,0,0,0|4,0,0]=4 82 B7R1.2 CN1C=NC(N)=C1 HR108282 [0,0,0,0,0,0|4,0,0]=4 83 B7R1.2 CN1C=NC(N)=N1 HR33665 [0,0,0,0,0,0|4,0,0]=4 84 B7R1.2 CN1N=CC(Br)=N1 HR30272 [0,0,0,0,0,0|4,0,0]=4 85 B7R1.2 Cc1cc(=O)no1 HR137393 [0,0,0,0,0,0|4,0,0]=4 86 B7R1.2 Cc1coc(C)n1 HR130593 [0,0,0,0,0,0|2,0,0]=2 87 B7R1.2 ClC1=CC(Br)=CS1 HR103371 [0,0,0,0,0,0|4,0,0]=4 88 B7R1.2 ClC1=CC=C(Br)S1 HR116295 [0,0,0,0,0,0|2,1,0]=3 89 B7R1.2 ClC1=CC=C(Cl)S1 HR124877 [0,0,0,0,0,0|2,1,0]=3 90 B7R1.2 ClC1=CC=C(I)S1 HR33555 [0,0,0,0,0,0|2,1,0]=3 91 B7R1.2 ClC1=CN=C(Br)S1 HR30216 [0,0,0,0,0,0|3,1,0]=4 92 B7R1.2 ClC1=CSC(Cl)=N1 HR111270 [0,0,0,0,0,0|4,0,0]=4 93 B7R1.2 ClC1=NC=C(Br)S1 HR30215 [0,0,0,0,0,0|3,1,0]=4 94 B7R1.2 IC1=CC=C(I)S1 HR119952 [0,0,0,0,0,0|2,1,0]=3 95 B7R1.2 IC1=CN=C(I)N1 HR113228 [0,0,0,0,0,0|4,0,0]=4 96 B7R1.2 NC1=CNC(=S)S1 HR118026 [0,0,0,0,0,0|3,1,0]=4 97 B7R1.2 NC1=CSC(Br)=N1 HR117075 [0,0,0,0,0,0|4,0,0]=4 98 B7R1.2 NC1=CSC(Br)=N1 HR119413 [0,0,0,0,0,0|4,0,0]=4 99 B7R1.2 NC1=CSC(Cl)=C1 HR109607 [0,0,0,0,0,0|4,0,0]=4 100 B7R1.2 NC1=NC(Br)=CS1 HR107658 [0,0,0,0,0,0|4,0,0]=4 101 B7R1.2 NC1=NC(Cl)=CS1 HR120964 [0,0,0,0,0,0|4,0,0]=4 102 B7R1.2 NC1=NC=C(Br)S1 HR136436 [0,0,0,0,0,0|3,1,0]=4 103 B7R1.2 NC1=NC=C(Br)S1 HR136697 [0,0,0,0,0,0|3,1,0]=4 104 B7R1.2 NC1=NC=C(Cl)S1 HR113644 [0,0,0,0,0,0|3,1,0]=4 105 B7R1.2 NC1=NC=C(Cl)S1 HR32792 [0,0,0,0,0,0|3,1,0]=4 106 B7R1.2 NC1=NC=C(F)S1 HR118776 [0,0,0,0,0,0|3,1,0]=4 107 B7R1.2 NC1=NC=C(F)S1 HR30214 [0,0,0,0,0,0|3,1,0]=4 108 B7R1.2 O=C1C=CC(=O)N1 HR130748 [0,0,0,0,0,0|3,0,0]=3 109 B7R1.2 O=C1C=CC(=O)O1 HR146919 [0,0,0,0,0,0|2,0,0]=2 110 B7R1.2 O=C1CCC(=O)O1 HR135468 [0,0,0,0,0,0|2,0,2]=4 111 B6R1.2 BrC1=CC=CO1 HR132225 [1,0,0,0,0,0|1,0,0]=2 112 B6R1.2 BrC1=CC=CS1 HR34180 [1,0,0,0,0,0|1,1,0]=3 113 B6R1.2 BrC1=CN=CO1 HR146519 [1,0,0,0,0,0|2,0,0]=3 114 B6R1.2 BrC1=CN=CS1 HR33453 [1,0,0,0,0,0|2,1,0]=4 115 B6R1.2 BrC1=CNC=C1 HR106799 [1,0,0,0,0,0|3,0,0]=4 116 B6R1.2 BrC1=CNC=N1 HR9443 [1,0,0,0,0,0|3,0,0]=4 117 B6R1.2 BrC1=COC=C1 HR8830 [1,0,0,0,0,0|3,0,0]=4 118 B6R1.2 BrC1=CSC=C1 HR126013 [1,0,0,0,0,0|3,0,0]=4 119 B6R1.2 BrC1=CSC=N1 HR4040 [1,0,0,0,0,0|3,0,0]=4 120 B6R1.2 BrC1=NC=CN1 HR126116 [1,0,0,0,0,0|3,0,0]=4 121 B6R1.2 BrC1=NC=CO1 HR107371 [1,0,0,0,0,0|2,0,0]=3 122 B6R1.2 BrC1=NC=CS1 HR125698 [1,0,0,0,0,0|2,1,0]=4 123 B6R1.2 BrC1=NNC=C1 HR117565 [1,0,0,0,0,0|3,0,0]=4 124 B6R1.2 BrC1=NSC=C1 HR109115 [1,0,0,0,0,0|3,0,0]=4 125 B6R1.2 CC1=CC=CN1 HR147294 [1,0,0,0,0,0|1,0,0]=2 126 B6R1.2 CC1=CC=CS1 HR131866 [1,0,0,0,0,0|0,1,0]=2 127 B6R1.2 CC1=CC=NN1 HR10442 [1,0,0,0,0,0|2,0,0]=3 128 B6R1.2 CC1=CC=NO1 HR131159 [1,0,0,0,0,0|1,0,0]=2 129 B6R1.2 CC1=CN=CS1 HR128769 [1,0,0,0,0,0|1,1,0]=3 130 B6R1.2 CC1=CNC=C1 HR13921 [1,0,0,0,0,0|2,0,0]=3 131 B6R1.2 CC1=CNC=N1 HR7153 [1,0,0,0,0,0|2,0,0]=3 132 B6R1.2 CC1=CNN=C1 HR13055 [1,0,0,0,0,0|3,0,0]=4 133 B6R1.2 CC1=CNN=N1 HR148271 [1,0,0,0,0,0|3,0,0]=4 134 B6R1.2 CC1=COC=C1 HR125178 [1,0,0,0,0,0|2,0,0]=3 135 B6R1.2 CC1=COC=N1 HR121299 [1,0,0,0,0,0|2,0,0]=3 136 B6R1.2 CC1=CSC=N1 HR132874 [1,0,0,0,0,0|2,0,0]=3 137 B6R1.2 CC1=NC=CN1 HR135019 [1,0,0,0,0,0|2,0,0]=3 138 B6R1.2 CC1=NC=CS1 HR128073 [1,0,0,0,0,0|1,1,0]=3 139 B6R1.2 CC1=NNC=C1 HR13253 [1,0,0,0,0,0|2,0,0]=3 140 B6R1.2 CC1=NNC=N1 FOXF01203 [1,0,0,0,0,0|3,0,0]=4 141 B6R1.2 CC1=NOC=C1 HR104498 [1,0,0,0,0,0|2,0,0]=3 142 B6R1.2 CC1=NSC=C1 HR105128 [1,0,0,0,0,0|2,0,0]=3 143 B6R1.2 CN1C=CC=C1 HR131584 [1,0,0,0,0,0|2,0,0]=3 144 B6R1.2 CN1C=CC=N1 HR128244 [1,0,0,0,0,0|2,0,0]=3 145 B6R1.2 CN1C=CN=C1 HR134754 [1,0,0,0,0,0|3,0,0]=4 146 B6R1.2 CN1C=CN=N1 HR32395 [1,0,0,0,0,0|3,0,0]=4 147 B6R1.2 CN1C=NC=N1 HR113481 [1,0,0,0,0,0|3,0,0]=4 148 B6R1.2 ClC1=CC=CS1 HR130520 [1,0,0,0,0,0|1,1,0]=3 149 B6R1.2 ClC1=CNC=N1 HR122069 [1,0,0,0,0,0|3,0,0]=4 150 B6R1.2 ClC1=CSC=C1 HR130789 [1,0,0,0,0,0|3,0,0]=4 151 B6R1.2 ClC1=CSC=N1 HR119807 [1,0,0,0,0,0|3,0,0]=4 152 B6R1.2 ClC1=NC=CN1 HR120395 [1,0,0,0,0,0|3,0,0]=4 153 B6R1.2 ClC1=NC=CO1 HR102063 [1,0,0,0,0,0|2,0,0]=3 154 B6R1.2 ClC1=NC=CS1 HR135175 [1,0,0,0,0,0|2,1,0]=4 155 B6R1.2 FC1=CC=CS1 HR116433 [1,0,0,0,0,0|1,1,0]=3 156 B6R1.2 FC1=CNC=N1 HR112272 [1,0,0,0,0,0|3,0,0]=4 157 B6R1.2 FC1=NC=CN1 HR111959 [1,0,0,0,0,0|3,0,0]=4 158 B6R1.2 IC1=CC=CS1 HR133352 [1,0,0,0,0,0|1,1,0]=3 159 B6R1.2 IC1=CN=CS1 HR30442 [1,0,0,0,0,0|2,1,0]=4 160 B6R1.2 IC1=CNC=N1 HR34118 [1,0,0,0,0,0|3,0,0]=4 161 B6R1.2 IC1=CSC=C1 HR131727 [1,0,0,0,0,0|3,0,0]=4 162 B6R1.2 IC1=NC=CN1 HR127196 [1,0,0,0,0,0|3,0,0]=4 163 B6R1.2 IC1=NNC=C1 HR148460 [1,0,0,0,0,0|3,0,0]=4 164 B6R1.2 NC1=CC=CN1 HR107433 [1,0,0,0,0,0|2,0,0]=3 165 B6R1.2 NC1=CC=CS1 HR102647 [1,0,0,0,0,0|1,1,0]=3 166 B6R1.2 NC1=CC=NN1 HR147285 [1,0,0,0,0,0|3,0,0]=4 167 B6R1.2 NC1=CC=NO1 HR120254 [1,0,0,0,0,0|2,0,0]=3 168 B6R1.2 NC1=CN=CS1 HR127505 [1,0,0,0,0,0|2,1,0]=4 169 B6R1.2 NC1=CN=CS1 HR147472 [1,0,0,0,0,0|2,1,0]=4 170 B6R1.2 NC1=CNC=N1 HR129839 [1,0,0,0,0,0|3,0,0]=4 171 B6R1.2 NC1=CSC=C1 HR102995 [1,0,0,0,0,0|3,0,0]=4 172 B6R1.2 NC1=CSC=N1 HR111500 [1,0,0,0,0,0|3,0,0]=4 173 B6R1.2 NC1=NC=CN1 HR125916 [1,0,0,0,0,0|3,0,0]=4 174 B6R1.2 NC1=NC=CN1 HR146724 [1,0,0,0,0,0|3,0,0]=4 175 B6R1.2 NC1=NC=CN1 HR8378 [1,0,0,0,0,0|3,0,0]=4 176 B6R1.2 NC1=NC=CO1 HR133033 [1,0,0,0,0,0|2,0,0]=3 177 B6R1.2 NC1=NC=CS1 HR124885 [1,0,0,0,0,0|2,1,0]=4 178 B6R1.2 NC1=NNC=C1 HR11252 [1,0,0,0,0,0|3,0,0]=4 179 B6R1.2 NC1=NOC=C1 HR8627 [1,0,0,0,0,0|3,0,0]=4 180 B6R1.2 NN1C=CC=C1 HR12475 [1,0,0,0,0,0|3,0,0]=4 181 B6R1.2 Nc1ccsc1 HR114587 [1,0,0,0,0,0|3,0,0]=4 182 B6R1.2 O=C1C=CCC1 HR136753 [1,0,0,0,0,0|2,0,1]=4 183 B6R1.2 O=C1C=CCO1 HR119486 [1,0,0,0,0,0|1,0,1]=3 184 B6R1.2 O=C1C=CON1 HR31911 [1,0,0,0,0,0|3,0,0]=4 185 B6R1.2 O=C1C=CSN1 HR146483 [1,0,0,0,0,0|3,0,0]=4 186 B6R1.2 O=C1CC=CC1 HR111189 [1,0,0,0,0,0|2,0,1]=4 187 B6R1.2 O=C1OC=CO1 HR128933 [1,0,0,0,0,0|2,0,0]=3 188 B6R1.2 OC1=CNC=C1 HR106486 [1,0,0,0,0,0|3,0,0]=4 189 B6R1.2 OC1=NC=CS1 HR147755 [1,0,0,0,0,0|2,1,0]=4 190 B6R1.2 SC1=CC=CS1 HR128217 [1,0,0,0,0,0|1,1,0]=3 191 B6R1.2 SC1=CSC=C1 HR103982 [1,0,0,0,0,0|3,0,0]=4 192 B6R1.2 SC1=NC=CS1 HR127107 [1,0,0,0,0,0|2,1,0]=4 193 B6R1.2 [TlH2]C1C=CC=C1 HR101871 [1,0,0,0,0,0|2,0,1]=4 194 B6R1.2 [Zr+3]C1C=CC=C1 HR100500 [1,0,0,0,0,0|2,0,1]=4 195 B8R1.1 BrCC1=CC=C(Br)S1 HR102730 [0,1,0,0,0,0|1,1,0]=3 196 B8R1.1 BrCC1=CN=C(Br)S1 HR147266 [0,1,0,0,0,0|2,1,0]=4 197 B8R1.1 C#CC1=CC=C(Cl)S1 HR32697 [0,1,0,0,0,0|1,1,1]=4 198 B8R1.1 CC1=CC(C=O)=CS1 HR33855 [0,1,0,0,0,0|2,0,1]=4 199 B8R1.1 CC1=CC(CBr)=NO1 HR115000 [0,1,0,0,0,0|3,0,0]=4 200 B8R1.1 CC1=CC(CCl)=NO1 HR102383 [0,1,0,0,0,0|3,0,0]=4 201 B8R1.1 CC1=CC(CN)=NO1 HR103413 [0,1,0,0,0,0|3,0,0]=4 202 B8R1.1 CC1=CC(CN)=NO1 HR118684 [0,1,0,0,0,0|3,0,0]=4 203 B8R1.1 CC1=CC(CO)=NO1 HR137351 [0,1,0,0,0,0|3,0,0]=4 204 B8R1.1 CC1=CC=C(C=O)O1 HR131275 [0,1,0,0,0,0|0,0,1]=2 205 B8R1.1 CC1=CC=C(C=O)S1 HR5205 [0,1,0,0,0,0|0,1,1]=3 206 B8R1.1 CC1=CC=C(CN)S1 HR103044 [0,1,0,0,0,0|0,1,0]=2 207 B8R1.1 CC1=CC=C(CO)O1 HR141630 [0,1,0,0,0,0|0,0,0]=1 208 B8R1.1 CC1=CN=C(C=O)N1 HR107317 [0,1,0,0,0,0|2,0,1]=4 209 B8R1.1 CC1=CN=C(C=O)S1 HR147497 [0,1,0,0,0,0|1,1,1]=4 210 B8R1.1 CC1=CSC(C=O)=C1 HR153184 [0,1,0,0,0,0|2,0,1]=4 211 B8R1.1 CC1=CSC(CO)=C1 HR155961 [0,1,0,0,0,0|2,0,0]=3 212 B8R1.1 CC1=CSC(CO)=N1 HR106643 [0,1,0,0,0,0|2,0,0]=3 213 B8R1.1 CC1=NC(C#N)=CS1 HR143001 [0,1,0,0,0,0|2,0,1]=4 214 B8R1.1 CC1=NC(C=O)=CO1 RESA02603 [0,1,0,0,0,0|2,0,1]=4 215 B8R1.1 CC1=NC(C=O)=CS1 HR105709 [0,1,0,0,0,0|2,0,1]=4 216 B8R1.1 CC1=NC(CCl)=CS1 HR120043 [0,1,0,0,0,0|2,0,0]=3 217 B8R1.1 CC1=NC(CCl)=CS1 HR31790 [0,1,0,0,0,0|2,0,0]=3 218 B8R1.1 CC1=NC(CCl)=NO1 HR104456 [0,1,0,0,0,0|3,0,0]=4 219 B8R1.1 CC1=NC(CN)=NN1 HR105736 [0,1,0,0,0,0|3,0,0]=4 220 B8R1.1 CC1=NC(CO)=CO1 HR120355 [0,1,0,0,0,0|2,0,0]=3 221 B8R1.1 CC1=NC(CO)=CS1 HR115556 [0,1,0,0,0,0|2,0,0]=3 222 B8R1.1 CC1=NC=C(C=O)N1 HR108199 [0,1,0,0,0,0|2,0,1]=4 223 B8R1.1 CC1=NC=C(C=O)S1 HR121283 [0,1,0,0,0,0|1,1,1]=4 224 B8R1.1 CC1=NN=C(CCl)O1 HR102000 [0,1,0,0,0,0|2,0,0]=3 225 B8R1.1 CC1=NN=C(CN)O1 HR104579 [0,1,0,0,0,0|2,0,0]=3 226 B8R1.1 CC1=NOC(CBr)=C1 HR106983 [0,1,0,0,0,0|3,0,0]=4 227 B8R1.1 CC1=NOC(CN)=C1 HR118262 [0,1,0,0,0,0|3,0,0]=4 228 B8R1.1 CC1=NOC(CO)=C1 HR108372 [0,1,0,0,0,0|3,0,0]=4 229 B8R1.1 CCC1=CC=C(C)S1 HR107230 [0,1,0,0,0,0|0,1,0]=2 230 B8R1.1 CCC1=CCC(C)=C1 HR108113 [0,1,0,0,0,0|1,0,1]=3 231 B8R1.1 CCC1=CN=C(C)N1 HR134215 [0,1,0,0,0,0|2,0,0]=3 232 B8R1.1 CCC1=NC(C)=CN1 HR127274 [0,1,0,0,0,0|2,0,0]=3 233 B8R1.1 CCC1=NC(C)=CS1 HR130200 [0,1,0,0,0,0|2,0,0]=3 234 B8R1.1 CCN1C=CC(N)=N1 HR118461 [0,1,0,0,0,0|3,0,0]=4 235 B8R1.1 CC[N+]1=CN(C)C=C1 HR110928 [0,1,0,0,0,0|3,0,0]=4 236 B8R1.1 CC[N+]1=CN(C)C=C1 HR112740 [0,1,0,0,0,0|3,0,0]=4 237 B8R1.1 CC[N+]1=CN(C)C=C1 HR114953 [0,1,0,0,0,0|3,0,0]=4 238 B8R1.1 CC[N+]1=CN(C)C=C1 HR115990 [0,1,0,0,0,0|3,0,0]=4 239 B8R1.1 CC[N+]1=CN(C)C=C1 HR122664 [0,1,0,0,0,0|3,0,0]=4 240 B8R1.1 CC[N+]1=CN(C)C=C1 HR138037 [0,1,0,0,0,0|3,0,0]=4 241 B8R1.1 CC[N+]1=CN(C)C=C1 HR138493 [0,1,0,0,0,0|3,0,0]=4 242 B8R1.1 CC[N+]1=CN(C)C=C1 HR139588 [0,1,0,0,0,0|3,0,0]=4 243 B8R1.1 CC[N+]1=CN(C)C=C1 HR140764 [0,1,0,0,0,0|3,0,0]=4 244 B8R1.1 CCn1cc[n+](C)c1 HR113167 [0,1,0,0,0,0|3,0,0]=4 245 B8R1.1 CCn1cc[n+](C)c1 HR114629 [0,1,0,0,0,0|3,0,0]=4 246 B8R1.1 CCn1cc[n+](C)c1 HR115672 [0,1,0,0,0,0|3,0,0]=4 247 B8R1.1 CCn1cc[n+](C)c1 HR116303 [0,1,0,0,0,0|3,0,0]=4 248 B8R1.1 CN1C=C(CN)C=N1 HR107602 [0,1,0,0,0,0|3,0,0]=4 249 B8R1.1 CN1C=C(CO)C=N1 HR33687 [0,1,0,0,0,0|3,0,0]=4 250 B8R1.1 CN1C=CC(C=O)=N1 HR115618 [0,1,0,0,0,0|2,0,1]=4 251 B8R1.1 CN1C=CC(CBr)=N1 HR111485 [0,1,0,0,0,0|2,0,0]=3 252 B8R1.1 CN1C=NC(CCl)=C1 HR111386 [0,1,0,0,0,0|3,0,0]=4 253 B8R1.1 CN1C=NC(CCl)=N1 HR117564 [0,1,0,0,0,0|3,0,0]=4 254 B8R1.1 CN1C=NC(CN)=C1 HR110008 [0,1,0,0,0,0|3,0,0]=4 255 B8R1.1 CN1C=NC(CO)=N1 HR148571 [0,1,0,0,0,0|3,0,0]=4 256 B8R1.1 COC1=NC(Br)=CS1 HR148887 [0,1,0,0,0,0|3,0,0]=4 257 B8R1.1 COC1=NC=C(Br)S1 HR148886 [0,1,0,0,0,0|2,1,0]=4 258 B8R1.1 CSC1=CC(Br)=CS1 HR153247 [0,1,0,0,0,0|3,0,0]=4 259 B8R1.1 CSC1=CC(C)=CS1 HR153245 [0,1,0,0,0,0|2,0,0]=3 260 B8R1.1 CSC1=CC=C(Br)S1 HR153255 [0,1,0,0,0,0|1,1,0]=3 261 B8R1.1 CSC1=CC=C(C)O1 HR132044 [0,1,0,0,0,0|0,0,0]=1 262 B8R1.1 CSC1=CN=C(N)S1 HR114688 [0,1,0,0,0,0|2,1,0]=4 263 B8R1.1 Cc1csc(C=O)n1 HR121106 [0,1,0,0,0,0|2,0,1]=4 264 B8R1.1 Cc1nc(CN)no1 HR109694 [0,1,0,0,0,0|3,0,0]=4 265 B8R1.1 ClC1=CC=C([Mg]Br)S1 HR107365 [0,1,0,0,0,0|2,1,0]=4 266 B8R1.1 ClC1=NC(CBr)=CO1 HR32263 [0,1,0,0,0,0|3,0,0]=4 267 B8R1.1 ClCC1=CC=C(Cl)S1 HR103396 [0,1,0,0,0,0|1,1,0]=3 268 B8R1.1 ClCC1=CN=C(Cl)S1 HR17773 [0,1,0,0,0,0|2,1,0]=4 269 B8R1.1 ClCC1=CSC(Br)=N1 HR31791 [0,1,0,0,0,0|3,0,0]=4 270 B8R1.1 N#CC1=CC=C(Br)S1 HR104354 [0,1,0,0,0,0|1,1,1]=4 271 B8R1.1 N#CC1=CC=C(Cl)S1 HR121369 [0,1,0,0,0,0|1,1,1]=4 272 B8R1.1 NC1=NC(CCl)=CS1 HR113805 [0,1,0,0,0,0|3,0,0]=4 273 B8R1.1 NC1=NC(CO)=CS1 HR115244 [0,1,0,0,0,0|3,0,0]=4 274 B8R1.1 NC1=NC=C(CO)S1 HR112957 [0,1,0,0,0,0|2,1,0]=4 275 B8R1.1 NCC1=CC=C(Br)S1 HR103535 [0,1,0,0,0,0|1,1,0]=3 276 B8R1.1 NCC1=CC=C(Cl)S1 HR120256 [0,1,0,0,0,0|1,1,0]=3 277 B8R1.1 NCC1=CN=C(Cl)S1 HR113082 [0,1,0,0,0,0|2,1,0]=4 278 B8R1.1 NCC1=CN=C(Cl)S1 HR148151 [0,1,0,0,0,0|2,1,0]=4 279 B8R1.1 O=C1C=CC(CO)O1 HR108465 [0,1,0,0,0,0|1,0,1]=3 280 B8R1.1 O=C1C=CC(CO)O1 HR7063 [0,1,0,0,0,0|1,0,1]=3 281 B8R1.1 O=CC1=CC=C(Br)O1 HR139603 [0,1,0,0,0,0|1,0,1]=3 282 B8R1.1 O=CC1=CC=C(Br)S1 HR132790 [0,1,0,0,0,0|1,1,1]=4 283 B8R1.1 O=CC1=CC=C(Cl)S1 HR104946 [0,1,0,0,0,0|1,1,1]=4 284 B8R1.1 O=CC1=CC=C(I)O1 HR117581 [0,1,0,0,0,0|1,0,1]=3 285 B8R1.1 OCC1=CC(Br)=CS1 HR142417 [0,1,0,0,0,0|3,0,0]=4 286 B8R1.1 OCC1=CC=C(Br)S1 HR115761 [0,1,0,0,0,0|1,1,0]=3 287 B8R1.1 OCC1=CN=C(Br)S1 HR109795 [0,1,0,0,0,0|2,1,0]=4 288 B8R1.1 OCC1=CSC(Br)=C1 HR153404 [0,1,0,0,0,0|3,0,0]=4 289 B8R1.1 OCC1=CSC(Br)=N1 HR109473 [0,1,0,0,0,0|3,0,0]=4 290 B8R1.1 OCC1=CSC(Cl)=C1 HR109922 [0,1,0,0,0,0|3,0,0]=4 291 B8R1.1 OCC1=NC(Br)=CS1 HR108287 [0,1,0,0,0,0|3,0,0]=4 292 B8R1.18 BrC1=CC(Br)=C(Br)S1 HR131309 [0,1,0,0,0,0|2,1,0]=4 293 B8R1.18 C=C1CC(=O)OC1=O HR123885 [0,1,0,0,0,0|2,0,1]=4 294 B8R1.18 CC1=C(Br)C=C(Br)S1 HR129933 [0,1,0,0,0,0|1,1,0]=3 295 B8R1.18 CC1=C(Br)N=C(Br)N1 HR128833 [0,1,0,0,0,0|3,0,0]=4 296 B8R1.18 CC1=C(Br)N=C(Br)S1 HR31797 [0,1,0,0,0,0|2,1,0]=4 297 B8R1.18 CC1=C(Br)N=C(N)S1 HR108605 [0,1,0,0,0,0|2,1,0]=4 298 B8R1.18 CC1=C(Br)OC(Br)=C1 HR117895 [0,1,0,0,0,0|2,0,0]=3 299 B8R1.18 CC1=C(Br)SC(Br)=C1 HR31807 [0,1,0,0,0,0|2,1,0]=4 300 B8R1.18 CC1=C(Br)SC(Br)=N1 HR107376 [0,1,0,0,0,0|3,0,0]=4 301 B8R1.18 CC1=C(Br)SC(N)=N1 HR104926 [0,1,0,0,0,0|3,0,0]=4 302 B8R1.18 CC1=C(Br)SC(N)=N1 HR110384 [0,1,0,0,0,0|3,0,0]=4 303 B8R1.18 CC1=C(C)OC(=O)O1 HR138965 [0,1,0,0,0,0|2,0,0]=3 304 B8R1.18 CC1=C(C)SC(Br)=N1 HR102601 [0,1,0,0,0,0|2,1,0]=4 305 B8R1.18 CC1=C(C)SC(N)=N1 HR107708 [0,1,0,0,0,0|2,1,0]=4 306 B8R1.18 CC1=C(C)SC(N)=N1 HR120434 [0,1,0,0,0,0|2,1,0]=4 307 B8R1.18 CC1=C(C)SC(N)=N1 HR145096 [0,1,0,0,0,0|2,1,0]=4 308 B8R1.18 CC1=C(Cl)SC(Br)=C1 HR32390 [0,1,0,0,0,0|2,1,0]=4 309 B8R1.18 CC1=C(Cl)SC(Cl)=C1 HR126319 [0,1,0,0,0,0|2,1,0]=4 310 B8R1.18 CC1=C(I)NC(I)=N1 HR33268 [0,1,0,0,0,0|3,0,0]=4 311 B8R1.18 CC1=C(I)SC(I)=C1 HR118806 [0,1,0,0,0,0|2,1,0]=4 312 B8R1.18 CC1=CC(=O)C(C)O1 HR125615 [0,1,0,0,0,0|0,0,1]=2 313 B8R1.18 CC1=CC(=O)N(C)N1 HR138216 [0,1,0,0,0,0|2,0,0]=3 314 B8R1.18 CC1=CC(=O)OC1=O HR122406 [0,1,0,0,0,0|2,0,0]=3 315 B8R1.18 CC1=CC(=O)OC1O HR135109 [0,1,0,0,0,0|2,0,1]=4 316 B8R1.18 CC1=CC(Br)=NN1C HR108743 [0,1,0,0,0,0|3,0,0]=4 317 B8R1.18 CC1=CC(C)=C(C)S1 HR106599 [0,1,0,0,0,0|0,1,0]=2 318 B8R1.18 CC1=CC(C)=NN1C HR125395 [0,1,0,0,0,0|2,0,0]=3 319 B8R1.18 CC1=CC(N)=NN1C HR101522 [0,1,0,0,0,0|3,0,0]=4 320 B8R1.18 CC1=CC(S)=C(C)O1 HR123446 [0,1,0,0,0,0|0,0,0]=1 321 B8R1.18 CC1=CN(N)C(=S)N1 HR111467 [0,1,0,0,0,0|3,0,0]=4 322 B8R1.18 CC1=NC(Br)=C(Br)N1 HR129059 [0,1,0,0,0,0|3,0,0]=4 323 B8R1.18 CC1=NC(Br)=CN1C HR140956 [0,1,0,0,0,0|3,0,0]=4 324 B8R1.18 CC1=NC(C)=C(Br)S1 HR103403 [0,1,0,0,0,0|2,0,0]=3 325 B8R1.18 CC1=NC(C)=C(C)O1 HR8636 [0,1,0,0,0,0|1,0,0]=2 326 B8R1.18 CC1=NC(C)=C(C)S1 HR122499 [0,1,0,0,0,0|1,1,0]=3 327 B8R1.18 CC1=NC(C)OC1C HR128475 [0,1,0,0,0,0|1,0,2]=4 328 B8R1.18 CC1=NC(I)=C(I)N1 HR129837 [0,1,0,0,0,0|3,0,0]=4 329 B8R1.18 CC1=NN(C)C(Cl)=C1 HR135519 [0,1,0,0,0,0|2,0,0]=3 330 B8R1.18 CC1=NN(C)C(N)=C1 HR118884 [0,1,0,0,0,0|2,0,0]=3 331 B8R1.18 CC1=NN(C)C(O)=C1 HR147140 [0,1,0,0,0,0|2,0,0]=3 332 B8R1.18 CC1=NN(C)C=C1N HR110479 [0,1,0,0,0,0|2,0,0]=3 333 B8R1.18 CN1C=C(Br)C(N)=N1 HR112637 [0,1,0,0,0,0|3,0,0]=4 334 B8R1.18 CN1N=C(Br)C=C1N HR148689 [0,1,0,0,0,0|3,0,0]=4 335 B8R1.18 ClC1=CC(Cl)=C(Cl)S1 HR117860 [0,1,0,0,0,0|2,1,0]=4 336 B8R1.18 Cn1sc(Cl)cc1=O HR123569 [0,1,0,0,0,0|2,1,0]=4 337 B8R1.18 IC1=CC(I)=C(I)S1 HR118177 [0,1,0,0,0,0|2,1,0]=4 338 B8R1.50 CC1=C(C)N(C)C=N1 HR107111 [0,1,0,0,0,0|3,0,0]=4 339 B8R1.50 CC1=CSC(Br)=C1Br HR110879 [0,1,0,0,0,0|3,0,0]=4 340 B8R1.50 CC1=NNC(C)=C1Br HR132489 [0,1,0,0,0,0|3,0,0]=4 341 B8R1.50 CC1=NNC(C)=C1I HR133031 [0,1,0,0,0,0|3,0,0]=4 342 B8R1.50 CC1=NOC(C)=C1Br HR112510 [0,1,0,0,0,0|3,0,0]=4 343 B8R1.50 CC1=NOC(C)=C1I HR124830 [0,1,0,0,0,0|3,0,0]=4 344 B8R1.50 CC1=NOC(C)=C1N HR132271 [0,1,0,0,0,0|3,0,0]=4 345 B8R1.50 CN1C(=O)C=CC1=O HR115062 [0,1,0,0,0,0|3,0,0]=4 346 B8R1.50 O=C1C=CC(=O)N1O HR124363 [0,1,0,0,0,0|3,0,0]=4 347 B6R0.1 C=CC(=O)CCC HR100488 [0,0,1,0,0,0|2,0,1]=4 348 B6R0.1 CCOC(=O)C=O HR130872 [0,0,1,0,0,0|2,0,1]=4 349 B6R0.1 CCO\C(C)=N/O SIJL01004 [0,0,1,0,0,0|2,0,1]=4 350 B6R0.2 CC(=O)CC(C)=O AVJB01201 [0,0,1,0,0,0|3,0,0]=4 351 B6R0.2 CC(=O)CC(C)=O CUSA07105 [0,0,1,0,0,0|3,0,0]=4 352 B6R0.2 CC(=O)CC(C)=O HR108604 [0,0,1,0,0,0|3,0,0]=4 353 B6R0.2 CC(=O)OC(C)=O NASA01407 [0,0,1,0,0,0|2,0,0]=3 354 B6R0.2 CC(=O)OC(C)Br HR115050 [0,0,1,0,0,0|2,0,1]=4 355 B6R0.2 CC(=O)\C=C(/C)N HR105871 [0,0,1,0,0,0|3,0,0]=4 356 B6R0.2 CC(=O)\C=C(\C)[O-] HR100501 [0,0,1,0,0,0|3,0,0]=4 357 B6R0.2 CC(=O)\C=C(\C)[O-] HR107173 [0,0,1,0,0,0|3,0,0]=4 358 B6R0.2 CC(=O)\C=C(\C)[O-] HR113781 [0,0,1,0,0,0|3,0,0]=4 359 B6R0.2 CC(=O)\C=C(\C)[O-] HR117143 [0,0,1,0,0,0|3,0,0]=4 360 B6R0.4 CC\C=C\B(O)O HR116587 [0,0,1,0,0,0|2,0,1]=4 361 B6R0.4 CN(C)\C=C\C=O HR126291 [0,0,1,0,0,0|3,0,0]=4 362 B6R0.4 CO\C=C\C(C)=O HR138997 [0,0,1,0,0,0|1,0,1]=3 363 B8R2.34 C1=CC2CCC1C2 HR140035 [0,0,0,1,0,0|1,0,2]=4 364 B8R1.3 BrC1=CC=C(Br)C=C1 HR135257 [0,0,0,0,0,1|3,0,0]=4 365 B8R1.3 BrC1=CC=C(Br)N=N1 HR112679 [0,0,0,0,0,1|3,0,0]=4 366 B8R1.3 BrC1=CC=C(I)C=C1 HR136103 [0,0,0,0,0,1|3,0,0]=4 367 B8R1.3 BrC1=CN=C(Br)C=C1 HR30124 [0,0,0,0,0,1|3,0,0]=4 368 B8R1.3 BrC1=CN=C(I)C=C1 HR126028 [0,0,0,0,0,1|3,0,0]=4 369 B8R1.3 BrC1=NC=C(I)C=C1 HR125389 [0,0,0,0,0,1|3,0,0]=4 370 B8R1.3 CC1=CC=C(Br)C=C1 HR21011 [0,0,0,0,0,1|2,0,0]=3 371 B8R1.3 CC1=CC=C(Br)N=N1 HR148281 [0,0,0,0,0,1|2,0,0]=3 372 B8R1.3 CC1=CC=C(C)N=N1 HR112680 [0,0,0,0,0,1|1,0,0]=2 373 B8R1.3 CC1=CC=C(Cl)N=N1 HR137497 [0,0,0,0,0,1|2,0,0]=3 374 B8R1.3 CC1=CC=C(I)C=C1 HR131008 [0,0,0,0,0,1|2,0,0]=3 375 B8R1.3 CC1=CC=C(N)C=C1 HR147703 [0,0,0,0,0,1|2,0,0]=3 376 B8R1.3 CC1=CC=C(N)C=N1 HR131136 [0,0,0,0,0,1|2,0,0]=3 377 B8R1.3 CC1=CC=C(N)N=N1 HR103580 [0,0,0,0,0,1|2,0,0]=3 378 B8R1.3 CC1=CC=C(O)C=N1 HR123018 [0,0,0,0,0,1|2,0,0]=3 379 B8R1.3 CC1=CC=[N+]([O-])C=C1 HR132370 [0,0,0,0,0,1|3,0,0]=4 380 B8R1.3 CC1=CCC(=O)CC1 HR105835 [0,0,0,0,0,1|2,0,1]=4 381 B8R1.3 CC1=CN=C(Br)C=C1 HR1185 [0,0,0,0,0,1|2,0,0]=3 382 B8R1.3 CC1=CN=C(Br)C=N1 HR114177 [0,0,0,0,0,1|3,0,0]=4 383 B8R1.3 CC1=CN=C(Br)N=C1 HR33492 [0,0,0,0,0,1|3,0,0]=4 384 B8R1.3 CC1=CN=C(C)C=N1 HR133127 [0,0,0,0,0,1|2,0,0]=3 385 B8R1.3 CC1=CN=C(Cl)C=C1 HR1193 [0,0,0,0,0,1|2,0,0]=3 386 B8R1.3 CC1=CN=C(Cl)C=N1 HR147274 [0,0,0,0,0,1|3,0,0]=4 387 B8R1.3 CC1=CN=C(Cl)N=C1 HR33491 [0,0,0,0,0,1|3,0,0]=4 388 B8R1.3 CC1=CN=C(F)C=C1 HR136733 [0,0,0,0,0,1|2,0,0]=3 389 B8R1.3 CC1=CN=C(I)N=C1 HR34068 [0,0,0,0,0,1|3,0,0]=4 390 B8R1.3 CC1=CN=C(N)C=C1 ABXF00101 [0,0,0,0,0,1|2,0,0]=3 391 B8R1.3 CC1=CN=C(N)C=N1 HR104011 [0,0,0,0,0,1|3,0,0]=4 392 B8R1.3 CC1=CN=C(N)N=C1 HR111581 [0,0,0,0,0,1|3,0,0]=4 393 B8R1.3 CC1=CN=C(O)C=C1 HR127832 [0,0,0,0,0,1|2,0,0]=3 394 B8R1.3 CC1=CN=C(O)C=C1 HR14321 [0,0,0,0,0,1|2,0,0]=3 395 B8R1.3 CC1=CN=C(O)C=N1 HR147862 [0,0,0,0,0,1|3,0,0]=4 396 B8R1.3 CC1=NC=C(Br)C=C1 HR4058 [0,0,0,0,0,1|2,0,0]=3 397 B8R1.3 CC1=NC=C(Br)C=N1 HR30429 [0,0,0,0,0,1|3,0,0]=4 398 B8R1.3 CC1=NC=C(Cl)C=C1 HR120085 [0,0,0,0,0,1|2,0,0]=3 399 B8R1.3 CC1=NC=C(Cl)C=N1 HR147489 [0,0,0,0,0,1|3,0,0]=4 400 B8R1.3 CC1=NC=C(F)C=C1 HR129366 [0,0,0,0,0,1|2,0,0]=3 401 B8R1.3 CC1=NC=C(I)C=C1 HR6698 [0,0,0,0,0,1|2,0,0]=3 402 B8R1.3 CC1=NC=C(N)C=N1 HR130339 [0,0,0,0,0,1|3,0,0]=4 403 B8R1.3 CC1=NC=C(O)C=N1 HR110662 [0,0,0,0,0,1|3,0,0]=4 404 B8R1.3 CC1=NNC(=O)C=C1 HR125138 [0,0,0,0,0,1|2,0,0]=3 405 B8R1.3 CC1=NNC(=S)C=C1 HR113051 [0,0,0,0,0,1|2,0,0]=3 406 B8R1.3 Cc1ccc(O)cc1 HR128349 [0,0,0,0,0,1|2,0,0]=3 407 B8R1.3 Cc1ccc([SiH3])cc1 HR143570 [0,0,0,0,0,1|1,1,0]=3 408 B8R1.3 ClC1=CC=C(Br)C=C1 HR132877 [0,0,0,0,0,1|3,0,0]=4 409 B8R1.3 ClC1=CC=C(Br)N=N1 HR105360 [0,0,0,0,0,1|3,0,0]=4 410 B8R1.3 ClC1=CC=C(Cl)C=C1 HR100038 [0,0,0,0,0,1|3,0,0]=4 411 B8R1.3 ClC1=CC=C(Cl)N=N1 ENCQ01503 [0,0,0,0,0,1|3,0,0]=4 412 B8R1.3 ClC1=CC=C(I)C=C1 HR134051 [0,0,0,0,0,1|3,0,0]=4 413 B8R1.3 ClC1=CC=C(I)N=N1 HR105826 [0,0,0,0,0,1|3,0,0]=4 414 B8R1.3 ClC1=CN=C(Br)C=C1 HR1169 [0,0,0,0,0,1|3,0,0]=4 415 B8R1.3 ClC1=CN=C(Cl)C=C1 HR1199 [0,0,0,0,0,1|3,0,0]=4 416 B8R1.3 ClC1=CN=C(I)C=C1 HR125891 [0,0,0,0,0,1|3,0,0]=4 417 B8R1.3 ClC1=NC=C(Br)C=C1 HR1168 [0,0,0,0,0,1|3,0,0]=4 418 B8R1.3 ClC1=NC=C(I)C=C1 HR2078 [0,0,0,0,0,1|3,0,0]=4 419 B8R1.3 FC1=CC=C(Br)C=C1 HR129390 [0,0,0,0,0,1|3,0,0]=4 420 B8R1.3 FC1=CC=C(Cl)C=C1 HR147155 [0,0,0,0,0,1|3,0,0]=4 421 B8R1.3 FC1=CC=C(F)C=C1 HR146974 [0,0,0,0,0,1|3,0,0]=4 422 B8R1.3 FC1=CC=C(F)N=N1 HR103994 [0,0,0,0,0,1|3,0,0]=4 423 B8R1.3 FC1=CC=C(I)C=C1 HR129530 [0,0,0,0,0,1|3,0,0]=4 424 B8R1.3 FC1=CC=C(S)C=C1 HR125198 [0,0,0,0,0,1|3,0,0]=4 425 B8R1.3 FC1=CN=C(Br)C=C1 HR1099 [0,0,0,0,0,1|3,0,0]=4 426 B8R1.3 FC1=CN=C(Cl)C=C1 HR1097 [0,0,0,0,0,1|3,0,0]=4 427 B8R1.3 FC1=CN=C(F)C=C1 HR133853 [0,0,0,0,0,1|3,0,0]=4 428 B8R1.3 FC1=CN=C(I)C=C1 HR116954 [0,0,0,0,0,1|3,0,0]=4 429 B8R1.3 FC1=NC=C(Br)C=C1 HR3550 [0,0,0,0,0,1|3,0,0]=4 430 B8R1.3 FC1=NC=C(Cl)C=C1 HR1186 [0,0,0,0,0,1|3,0,0]=4 431 B8R1.3 FC1=NC=C(I)C=C1 HR6324 [0,0,0,0,0,1|3,0,0]=4 432 B8R1.3 IC1=CC=C(I)C=C1 HR135375 [0,0,0,0,0,1|3,0,0]=4 433 B8R1.3 IC1=CC=C(I)N=N1 HR131182 [0,0,0,0,0,1|3,0,0]=4 434 B8R1.3 IC1=CN=C(I)C=C1 HR125647 [0,0,0,0,0,1|3,0,0]=4 435 B8R1.3 NC1=CC=C(Br)C=C1 GASA04301 [0,0,0,0,0,1|3,0,0]=4 436 B8R1.3 NC1=CC=C(Br)N=C1 HR132418 [0,0,0,0,0,1|3,0,0]=4 437 B8R1.3 NC1=CC=C(Br)N=N1 HR117077 [0,0,0,0,0,1|3,0,0]=4 438 B8R1.3 NC1=CC=C(Cl)C=C1 HR146918 [0,0,0,0,0,1|3,0,0]=4 439 B8R1.3 NC1=CC=C(Cl)N=N1 HR9496 [0,0,0,0,0,1|3,0,0]=4 440 B8R1.3 NC1=CC=C(F)C=C1 HR147053 [0,0,0,0,0,1|3,0,0]=4 441 B8R1.3 NC1=CC=C(I)C=C1 HR127574 [0,0,0,0,0,1|3,0,0]=4 442 B8R1.3 NC1=CC=C(N)N=N1 HR104564 [0,0,0,0,0,1|3,0,0]=4 443 B8R1.3 NC1=CC=C(O)C=C1 DOXF02203 [0,0,0,0,0,1|3,0,0]=4 444 B8R1.3 NC1=CC=C(O)C=N1 HR104751 [0,0,0,0,0,1|3,0,0]=4 445 B8R1.3 NC1=CC=C(O)C=N1 HR136765 [0,0,0,0,0,1|3,0,0]=4 446 B8R1.3 NC1=CC=C(S)C=C1 HR2471 [0,0,0,0,0,1|3,0,0]=4 447 B8R1.3 NC1=CN=C(Cl)C=C1 HR2406 [0,0,0,0,0,1|3,0,0]=4 448 B8R1.3 NC1=CN=C(F)C=C1 HR1155 [0,0,0,0,0,1|3,0,0]=4 449 B8R1.3 NC1=CN=C(N)C=C1 HR130782 [0,0,0,0,0,1|3,0,0]=4 450 B8R1.3 NC1=CN=C(O)C=C1 HR104123 [0,0,0,0,0,1|3,0,0]=4 451 B8R1.3 NC1=CN=C(O)C=C1 HR6563 [0,0,0,0,0,1|3,0,0]=4 452 B8R1.3 NC1=NC=C(Br)C=C1 HR1107 [0,0,0,0,0,1|3,0,0]=4 453 B8R1.3 NC1=NC=C(Cl)C=C1 HR126672 [0,0,0,0,0,1|3,0,0]=4 454 B8R1.3 NC1=NC=C(F)C=C1 HR1109 [0,0,0,0,0,1|3,0,0]=4 455 B8R1.3 NC1=NC=C(I)C=C1 HR2407 [0,0,0,0,0,1|3,0,0]=4 456 B8R1.3 Nc1ccc(Cl)cc1 HR123459 [0,0,0,0,0,1|3,0,0]=4 457 B8R1.3 Nc1ccc(N)cc1 HR142575 [0,0,0,0,0,1|3,0,0]=4 458 B8R1.3 Nc1ccc(N)nc1 HR144712 [0,0,0,0,0,1|3,0,0]=4 459 B8R1.3 O=C1C=CC(=O)C=C1 HR129503 [0,0,0,0,0,1|3,0,0]=4 460 B8R1.3 O=C1C=CC(=O)C=C1 HR14592 [0,0,0,0,0,1|3,0,0]=4 461 B8R1.3 OC1=CC=C(Br)C=C1 HR146620 [0,0,0,0,0,1|3,0,0]=4 462 B8R1.3 OC1=CC=C(Cl)C=C1 HR147432 [0,0,0,0,0,1|3,0,0]=4 463 B8R1.3 OC1=CC=C(Cl)N=N1 HR117029 [0,0,0,0,0,1|3,0,0]=4 464 B8R1.3 OC1=CC=C(F)C=C1 HR138117 [0,0,0,0,0,1|3,0,0]=4 465 B8R1.3 OC1=CC=C(I)C=C1 HR3199 [0,0,0,0,0,1|3,0,0]=4 466 B8R1.3 OC1=CC=C(S)C=C1 HR135276 [0,0,0,0,0,1|3,0,0]=4 467 B8R1.3 OC1=CN=C(Br)C=C1 HR125117 [0,0,0,0,0,1|3,0,0]=4 468 B8R1.3 OC1=CN=C(Cl)C=C1 HR130615 [0,0,0,0,0,1|3,0,0]=4 469 B8R1.3 OC1=CN=C(F)C=C1 HR6321 [0,0,0,0,0,1|3,0,0]=4 470 B8R1.3 OC1=CN=C(I)C=C1 HR115833 [0,0,0,0,0,1|3,0,0]=4 471 B8R1.3 OC1=NC=C(Br)C=C1 HR126401 [0,0,0,0,0,1|3,0,0]=4 472 B8R1.3 OC1=NC=C(Cl)C=C1 HR135593 [0,0,0,0,0,1|3,0,0]=4 473 B8R1.3 OC1=NC=C(F)C=C1 HR137792 [0,0,0,0,0,1|3,0,0]=4 474 B8R1.3 OC1=NC=C(I)C=C1 HR137857 [0,0,0,0,0,1|3,0,0]=4 475 B8R1.3 S=C1C=CC(Cl)=CN1 HR107424 [0,0,0,0,0,1|3,0,0]=4 476 B8R1.3 SC1=CC=C(Br)C=C1 HR4043 [0,0,0,0,0,1|3,0,0]=4 477 B8R1.3 SC1=CC=C(Br)C=N1 HR148263 [0,0,0,0,0,1|3,0,0]=4 478 B8R1.3 SC1=CC=C(S)C=C1 HR141245 [0,0,0,0,0,1|3,0,0]=4 479 B8R1.3 [SiH3]C1=CC=C(Cl)C=C1 HR101057 [0,0,0,0,0,1|2,1,0]=4 480 B8R1.4 BrC1=CC(Br)=NC=C1 HR5452 [0,0,0,0,0,1|3,0,0]=4 481 B8R1.4 BrC1=CC(I)=CC=C1 HR135115 [0,0,0,0,0,1|3,0,0]=4 482 B8R1.4 BrC1=CC(I)=CN=C1 HR117916 [0,0,0,0,0,1|3,0,0]=4 483 B8R1.4 BrC1=CC(I)=NC=C1 HR118999 [0,0,0,0,0,1|3,0,0]=4 484 B8R1.4 BrC1=CC=CC(Br)=C1 HR134993 [0,0,0,0,0,1|3,0,0]=4 485 B8R1.4 BrC1=CC=CC(Br)=N1 LAXF01505 [0,0,0,0,0,1|3,0,0]=4 486 B8R1.4 BrC1=CN=CC(Br)=C1 HR136404 [0,0,0,0,0,1|3,0,0]=4 487 B8R1.4 BrC1=CN=CC(Br)=N1 HR104446 [0,0,0,0,0,1|3,0,0]=4 488 B8R1.4 BrC1=NC(Br)=NC=C1 HR30223 [0,0,0,0,0,1|3,0,0]=4 489 B8R1.4 BrC1=NC(I)=CC=C1 HR113549 [0,0,0,0,0,1|3,0,0]=4 490 B8R1.4 BrC1=NC=CC(I)=C1 HR134074 [0,0,0,0,0,1|3,0,0]=4 491 B8R1.4 CC1=CC(=O)NN=C1 HR11016 [0,0,0,0,0,1|3,0,0]=4 492 B8R1.4 CC1=CC(Br)=CC=C1 HR147078 [0,0,0,0,0,1|2,0,0]=3 493 B8R1.4 CC1=CC(Br)=NC=C1 HR1184 [0,0,0,0,0,1|2,0,0]=3 494 B8R1.4 CC1=CC(Br)=NC=N1 HR148333 [0,0,0,0,0,1|3,0,0]=4 495 B8R1.4 CC1=CC(C)=NC=N1 HR132989 [0,0,0,0,0,1|2,0,0]=3 496 B8R1.4 CC1=CC(Cl)=NC=C1 HR1192 [0,0,0,0,0,1|2,0,0]=3 497 B8R1.4 CC1=CC(Cl)=NC=N1 HR13240 [0,0,0,0,0,1|3,0,0]=4 498 B8R1.4 CC1=CC(F)=NC=C1 HR1203 [0,0,0,0,0,1|2,0,0]=3 499 B8R1.4 CC1=CC(I)=NC=C1 HR110692 [0,0,0,0,0,1|2,0,0]=3 500 B8R1.4 CC1=CC(N)=NC=C1 HR146783 [0,0,0,0,0,1|2,0,0]=3 501 B8R1.4 CC1=CC(N)=NC=N1 HR102836 [0,0,0,0,0,1|3,0,0]=4 502 B8R1.4 CC1=CC(O)=CC=C1 IDSA06810 [0,0,0,0,0,1|2,0,0]=3 503 B8R1.4 CC1=CC(O)=NC=C1 HR127276 [0,0,0,0,0,1|2,0,0]=3 504 B8R1.4 CC1=CC(O)=NC=N1 HR105356 [0,0,0,0,0,1|3,0,0]=4 505 B8R1.4 CC1=CC(O)=NC=N1 HR116470 [0,0,0,0,0,1|3,0,0]=4 506 B8R1.4 CC1=CC=CC(=S)N1 HR116107 [0,0,0,0,0,1|2,0,0]=3 507 B8R1.4 CC1=CC=CC(Br)=N1 HR1139 [0,0,0,0,0,1|2,0,0]=3 508 B8R1.4 CC1=CC=CC(C)=N1 HR146920 [0,0,0,0,0,1|1,0,0]=2 509 B8R1.4 CC1=CC=CC(Cl)=N1 HR1194 [0,0,0,0,0,1|2,0,0]=3 510 B8R1.4 CC1=CC=CC(F)=C1 HR147075 [0,0,0,0,0,1|2,0,0]=3 511 B8R1.4 CC1=CC=CC(F)=N1 HR138536 [0,0,0,0,0,1|2,0,0]=3 512 B8R1.4 CC1=CC=CC(I)=C1 HR130747 [0,0,0,0,0,1|2,0,0]=3 513 B8R1.4 CC1=CC=CC(I)=N1 HR33220 [0,0,0,0,0,1|2,0,0]=3 514 B8R1.4 CC1=CC=CC(N)=N1 HR126189 [0,0,0,0,0,1|2,0,0]=3 515 B8R1.4 CC1=CC=CC(O)=N1 HR102304 [0,0,0,0,0,1|2,0,0]=3 516 B8R1.4 CC1=CC=CC(O)=N1 HR123689 [0,0,0,0,0,1|2,0,0]=3 517 B8R1.4 CC1=CC=C[N+]([O-])=C1 HR131855 [0,0,0,0,0,1|3,0,0]=4 518 B8R1.4 CC1=CC=NC(=S)N1 HR134884 [0,0,0,0,0,1|2,0,0]=3 519 B8R1.4 CC1=CN=CC(=O)N1 HR110908 [0,0,0,0,0,1|2,0,0]=3 520 B8R1.4 CC1=CN=CC(Br)=C1 HR4036 [0,0,0,0,0,1|2,0,0]=3 521 B8R1.4 CC1=CN=CC(C)=N1 HR129129 [0,0,0,0,0,1|1,0,0]=2 522 B8R1.4 CC1=CN=CC(Cl)=C1 HR109685 [0,0,0,0,0,1|2,0,0]=3 523 B8R1.4 CC1=CN=CC(Cl)=N1 HR107821 [0,0,0,0,0,1|2,0,0]=3 524 B8R1.4 CC1=CN=CC(F)=C1 HR137759 [0,0,0,0,0,1|2,0,0]=3 525 B8R1.4 CC1=CN=CC(N)=C1 HR122715 [0,0,0,0,0,1|2,0,0]=3 526 B8R1.4 CC1=CN=CC(N)=N1 HR106865 [0,0,0,0,0,1|2,0,0]=3 527 B8R1.4 CC1=CN=CC(O)=C1 HR107413 [0,0,0,0,0,1|2,0,0]=3 528 B8R1.4 CC1=CN=NC(Cl)=C1 HR106299 [0,0,0,0,0,1|3,0,0]=4 529 B8R1.4 CC1=NC(Br)=NC=C1 HR107042 [0,0,0,0,0,1|2,0,0]=3 530 B8R1.4 CC1=NC(Cl)=NC=C1 HR6906 [0,0,0,0,0,1|2,0,0]=3 531 B8R1.4 CC1=NC(N)=NC=C1 HR108556 [0,0,0,0,0,1|2,0,0]=3 532 B8R1.4 CC1=NC(O)=NC=C1 HR130877 [0,0,0,0,0,1|2,0,0]=3 533 B8R1.4 CC1=NC(O)=NC=C1 HR144704 [0,0,0,0,0,1|2,0,0]=3 534 B8R1.4 CC1=NC(S)=NC=C1 HR143163 [0,0,0,0,0,1|2,0,0]=3 535 B8R1.4 CC1=NC=CC(Br)=C1 HR4035 [0,0,0,0,0,1|2,0,0]=3 536 B8R1.4 CC1=NC=CC(Cl)=C1 HR138568 [0,0,0,0,0,1|2,0,0]=3 537 B8R1.4 CC1=NC=CC(Cl)=N1 HR16387 [0,0,0,0,0,1|2,0,0]=3 538 B8R1.4 CC1=NC=CC(F)=C1 HR112228 [0,0,0,0,0,1|2,0,0]=3 539 B8R1.4 CC1=NC=CC(I)=C1 HR120740 [0,0,0,0,0,1|2,0,0]=3 540 B8R1.4 CC1=NC=CC(N)=C1 HR123486 [0,0,0,0,0,1|2,0,0]=3 541 B8R1.4 CC1=NC=CC(N)=N1 HR107859 [0,0,0,0,0,1|2,0,0]=3 542 B8R1.4 CC1=NC=CC(O)=C1 HR136769 [0,0,0,0,0,1|2,0,0]=3 543 B8R1.4 CC1=NC=CC(O)=N1 HR112244 [0,0,0,0,0,1|2,0,0]=3 544 B8R1.4 CC1=NC=CC(O)=N1 HR113416 [0,0,0,0,0,1|2,0,0]=3 545 B8R1.4 C[N+]1=CC(Br)=CC=C1 HR150972 [0,0,0,0,0,1|3,0,0]=4 546 B8R1.4 ClC1=CC(Br)=NC=C1 HR134871 [0,0,0,0,0,1|3,0,0]=4 547 B8R1.4 ClC1=CC(Cl)=NC=C1 HR30047 [0,0,0,0,0,1|3,0,0]=4 548 B8R1.4 ClC1=CC(I)=CC=C1 HR125340 [0,0,0,0,0,1|3,0,0]=4 549 B8R1.4 ClC1=CC(I)=NC=C1 HR32394 [0,0,0,0,0,1|3,0,0]=4 550 B8R1.4 ClC1=CC=CC(Br)=C1 HR125599 [0,0,0,0,0,1|3,0,0]=4 551 B8R1.4 ClC1=CC=CC(Br)=N1 HR9626 [0,0,0,0,0,1|3,0,0]=4 552 B8R1.4 ClC1=CC=CC(Cl)=N1 HR125187 [0,0,0,0,0,1|3,0,0]=4 553 B8R1.4 ClC1=CN=CC(Br)=C1 HR7700 [0,0,0,0,0,1|3,0,0]=4 554 B8R1.4 ClC1=CN=CC(Cl)=C1 HR13506 [0,0,0,0,0,1|3,0,0]=4 555 B8R1.4 ClC1=CN=CC(Cl)=N1 HR132811 [0,0,0,0,0,1|3,0,0]=4 556 B8R1.4 ClC1=NC(Cl)=NC=C1 DAJL00406 [0,0,0,0,0,1|3,0,0]=4 557 B8R1.4 ClC1=NC(I)=CC=C1 HR152471 [0,0,0,0,0,1|3,0,0]=4 558 B8R1.4 ClC1=NC=CC(Br)=C1 HR1171 [0,0,0,0,0,1|3,0,0]=4 559 B8R1.4 ClC1=NC=CC(I)=C1 HR2579 [0,0,0,0,0,1|3,0,0]=4 560 B8R1.4 FC1=CC(Br)=NC=C1 HR115495 [0,0,0,0,0,1|3,0,0]=4 561 B8R1.4 FC1=CC(Cl)=NC=C1 HR6180 [0,0,0,0,0,1|3,0,0]=4 562 B8R1.4 FC1=CC(F)=NC=C1 HR122747 [0,0,0,0,0,1|3,0,0]=4 563 B8R1.4 FC1=CC(I)=CC=C1 HR136349 [0,0,0,0,0,1|3,0,0]=4 564 B8R1.4 FC1=CC(I)=CN=C1 HR104502 [0,0,0,0,0,1|3,0,0]=4 565 B8R1.4 FC1=CC=CC(Br)=C1 HR129141 [0,0,0,0,0,1|3,0,0]=4 566 B8R1.4 FC1=CC=CC(Cl)=N1 HR116646 [0,0,0,0,0,1|3,0,0]=4 567 B8R1.4 FC1=CC=CC(F)=C1 HR2308 [0,0,0,0,0,1|3,0,0]=4 568 B8R1.4 FC1=CC=CC(F)=N1 HR9241 [0,0,0,0,0,1|3,0,0]=4 569 B8R1.4 FC1=CC=CC(S)=C1 HR5429 [0,0,0,0,0,1|3,0,0]=4 570 B8R1.4 FC1=CN=CC(Br)=C1 HR132209 [0,0,0,0,0,1|3,0,0]=4 571 B8R1.4 FC1=CN=CC(Cl)=C1 HR126150 [0,0,0,0,0,1|3,0,0]=4 572 B8R1.4 FC1=CN=CC(F)=C1 HR125349 [0,0,0,0,0,1|3,0,0]=4 573 B8R1.4 FC1=CN=CC(F)=C1 HR150327 [0,0,0,0,0,1|3,0,0]=4 574 B8R1.4 FC1=NC(Br)=CC=C1 HR139991 [0,0,0,0,0,1|3,0,0]=4 575 B8R1.4 FC1=NC(Br)=CC=C1 HR14324 [0,0,0,0,0,1|3,0,0]=4 576 B8R1.4 FC1=NC=CC(Br)=C1 HR1228 [0,0,0,0,0,1|3,0,0]=4 577 B8R1.4 FC1=NC=CC(Cl)=C1 HR111330 [0,0,0,0,0,1|3,0,0]=4 578 B8R1.4 FC1=NC=CC(I)=C1 HR3510 [0,0,0,0,0,1|3,0,0]=4 579 B8R1.4 IC1=CC(I)=NC=C1 HR102917 [0,0,0,0,0,1|3,0,0]=4 580 B8R1.4 IC1=CC=CC(I)=C1 HR136610 [0,0,0,0,0,1|3,0,0]=4 581 B8R1.4 IC1=CC=CC(I)=N1 HR146887 [0,0,0,0,0,1|3,0,0]=4 582 B8R1.4 IC1=CN=CC(I)=N1 HR134722 [0,0,0,0,0,1|3,0,0]=4 583 B8R1.4 IC1=NC(I)=NC=C1 HR148047 [0,0,0,0,0,1|3,0,0]=4 584 B8R1.4 NC1=CC(Br)=CC=C1 HR146977 [0,0,0,0,0,1|3,0,0]=4 585 B8R1.4 NC1=CC(Br)=CN=C1 HR122679 [0,0,0,0,0,1|3,0,0]=4 586 B8R1.4 NC1=CC(Br)=NC=C1 HR1222 [0,0,0,0,0,1|3,0,0]=4 587 B8R1.4 NC1=CC(Cl)=CC=C1 HR20239 [0,0,0,0,0,1|3,0,0]=4 588 B8R1.4 NC1=CC(Cl)=CN=C1 HR105279 [0,0,0,0,0,1|3,0,0]=4 589 B8R1.4 NC1=CC(Cl)=CN=C1 HR32545 [0,0,0,0,0,1|3,0,0]=4 590 B8R1.4 NC1=CC(Cl)=NC=C1 HR1248 [0,0,0,0,0,1|3,0,0]=4 591 B8R1.4 NC1=CC(F)=CC=C1 HR150410 [0,0,0,0,0,1|3,0,0]=4 592 B8R1.4 NC1=CC(F)=CN=C1 HR1260 [0,0,0,0,0,1|3,0,0]=4 593 B8R1.4 NC1=CC(F)=NC=C1 HR116597 [0,0,0,0,0,1|3,0,0]=4 594 B8R1.4 NC1=CC(I)=CC=C1 HR132893 [0,0,0,0,0,1|3,0,0]=4 595 B8R1.4 NC1=CC(N)=NC=C1 HR5418 [0,0,0,0,0,1|3,0,0]=4 596 B8R1.4 NC1=CC(O)=NC=C1 HR120752 [0,0,0,0,0,1|3,0,0]=4 597 B8R1.4 NC1=CC(O)=NC=C1 HR146873 [0,0,0,0,0,1|3,0,0]=4 598 B8R1.4 NC1=CC=CC(=S)N1 HR112349 [0,0,0,0,0,1|3,0,0]=4 599 B8R1.4 NC1=CC=CC(N)=N1 HR114400 [0,0,0,0,0,1|3,0,0]=4 600 B8R1.4 NC1=CC=CC(N)=N1 HR130188 [0,0,0,0,0,1|3,0,0]=4 601 B8R1.4 NC1=CC=CC(O)=C1 HR150861 [0,0,0,0,0,1|3,0,0]=4 602 B8R1.4 NC1=CC=CC(S)=C1 HR125939 [0,0,0,0,0,1|3,0,0]=4 603 B8R1.4 NC1=CN=CC(F)=C1 HR105761 [0,0,0,0,0,1|3,0,0]=4 604 B8R1.4 NC1=CN=CC(N)=C1 HR106990 [0,0,0,0,0,1|3,0,0]=4 605 B8R1.4 NC1=CN=CC(N)=N1 HR148747 [0,0,0,0,0,1|3,0,0]=4 606 B8R1.4 NC1=CN=CC(O)=C1 HR147901 [0,0,0,0,0,1|3,0,0]=4 607 B8R1.4 NC1=CN=CC(O)=C1 HR6627 [0,0,0,0,0,1|3,0,0]=4 608 B8R1.4 NC1=NC(=O)NC=C1 HR137595 [0,0,0,0,0,1|3,0,0]=4 609 B8R1.4 NC1=NC(Br)=CC=C1 HR7663 [0,0,0,0,0,1|3,0,0]=4 610 B8R1.4 NC1=NC(Br)=CN=C1 HR147814 [0,0,0,0,0,1|3,0,0]=4 611 B8R1.4 NC1=NC(Br)=NC=C1 HR32787 [0,0,0,0,0,1|3,0,0]=4 612 B8R1.4 NC1=NC(Cl)=CC=C1 HR9117 [0,0,0,0,0,1|3,0,0]=4 613 B8R1.4 NC1=NC(Cl)=CN=C1 HR8543 [0,0,0,0,0,1|3,0,0]=4 614 B8R1.4 NC1=NC(Cl)=NC=C1 HR125610 [0,0,0,0,0,1|3,0,0]=4 615 B8R1.4 NC1=NC(F)=CC=C1 HR137984 [0,0,0,0,0,1|3,0,0]=4 616 B8R1.4 NC1=NC(N)=NC=C1 HR138039 [0,0,0,0,0,1|3,0,0]=4 617 B8R1.4 NC1=NC(O)=CC=C1 HR106840 [0,0,0,0,0,1|3,0,0]=4 618 B8R1.4 NC1=NC(S)=NC=C1 HR100407 [0,0,0,0,0,1|3,0,0]=4 619 B8R1.4 NC1=NC=CC(Br)=C1 HR4039 [0,0,0,0,0,1|3,0,0]=4 620 B8R1.4 NC1=NC=CC(Br)=N1 HR32786 [0,0,0,0,0,1|3,0,0]=4 621 B8R1.4 NC1=NC=CC(Cl)=C1 HR5695 [0,0,0,0,0,1|3,0,0]=4 622 B8R1.4 NC1=NC=CC(Cl)=N1 HR122973 [0,0,0,0,0,1|3,0,0]=4 623 B8R1.4 NC1=NC=CC(F)=C1 HR107651 [0,0,0,0,0,1|3,0,0]=4 624 B8R1.4 NC1=NC=CC(I)=C1 HR103230 [0,0,0,0,0,1|3,0,0]=4 625 B8R1.4 NC1=NC=CC(I)=N1 HR147758 [0,0,0,0,0,1|3,0,0]=4 626 B8R1.4 NC1=NC=CC(O)=C1 HR105068 [0,0,0,0,0,1|3,0,0]=4 627 B8R1.4 NC1=NC=CC(O)=C1 HR6677 [0,0,0,0,0,1|3,0,0]=4 628 B8R1.4 NC1=NC=CC(O)=N1 HR130931 [0,0,0,0,0,1|3,0,0]=4 629 B8R1.4 O=C1C=C(F)C=CN1 HR116146 [0,0,0,0,0,1|3,0,0]=4 630 B8R1.4 O=C1C=CC=C(Br)N1 HR32191 [0,0,0,0,0,1|3,0,0]=4 631 B8R1.4 O=C1C=CNC(=O)N1 HR131339 [0,0,0,0,0,1|3,0,0]=4 632 B8R1.4 O=C1C=CNC(=S)N1 HR128324 [0,0,0,0,0,1|3,0,0]=4 633 B8R1.4 O=C1C=CNC(F)=C1 HR118051 [0,0,0,0,0,1|3,0,0]=4 634 B8R1.4 OC1=CC(Br)=CC=C1 HR146769 [0,0,0,0,0,1|3,0,0]=4 635 B8R1.4 OC1=CC(Br)=NC=C1 HR30422 [0,0,0,0,0,1|3,0,0]=4 636 B8R1.4 OC1=CC(Cl)=CC=C1 HR147057 [0,0,0,0,0,1|3,0,0]=4 637 B8R1.4 OC1=CC(Cl)=CN=C1 HR30408 [0,0,0,0,0,1|3,0,0]=4 638 B8R1.4 OC1=CC(Cl)=NC=C1 HR2578 [0,0,0,0,0,1|3,0,0]=4 639 B8R1.4 OC1=CC(F)=CC=C1 HR137861 [0,0,0,0,0,1|3,0,0]=4 640 B8R1.4 OC1=CC(I)=CC=C1 HR135819 [0,0,0,0,0,1|3,0,0]=4 641 B8R1.4 OC1=CC(O)=NC=C1 HR108969 [0,0,0,0,0,1|3,0,0]=4 642 B8R1.4 OC1=CC(O)=NC=C1 HR132953 [0,0,0,0,0,1|3,0,0]=4 643 B8R1.4 OC1=CC=CC(Cl)=N1 HR12988 [0,0,0,0,0,1|3,0,0]=4 644 B8R1.4 OC1=CC=CC(F)=N1 HR117733 [0,0,0,0,0,1|3,0,0]=4 645 B8R1.4 OC1=CC=CC(O)=C1 HR147710 [0,0,0,0,0,1|3,0,0]=4 646 B8R1.4 OC1=CC=CC(O)=N1 HR118512 [0,0,0,0,0,1|3,0,0]=4 647 B8R1.4 OC1=CC=CC(S)=C1 HR131802 [0,0,0,0,0,1|3,0,0]=4 648 B8R1.4 OC1=CN=CC(Br)=C1 HR131420 [0,0,0,0,0,1|3,0,0]=4 649 B8R1.4 OC1=CN=CC(F)=C1 HR6625 [0,0,0,0,0,1|3,0,0]=4 650 B8R1.4 OC1=CN=CC(O)=C1 HR30319 [0,0,0,0,0,1|3,0,0]=4 651 B8R1.4 OC1=NC(Cl)=CN=C1 HR148279 [0,0,0,0,0,1|3,0,0]=4 652 B8R1.4 OC1=NC(Cl)=NC=C1 HR32643 [0,0,0,0,0,1|3,0,0]=4 653 B8R1.4 OC1=NC=CC(Br)=C1 HR118544 [0,0,0,0,0,1|3,0,0]=4 654 B8R1.4 OC1=NC=CC(Cl)=C1 HR112849 [0,0,0,0,0,1|3,0,0]=4 655 B8R1.4 OC1=NC=CC(I)=C1 HR31945 [0,0,0,0,0,1|3,0,0]=4 656 B8R1.4 SC1=CC(Br)=CC=C1 HR127811 [0,0,0,0,0,1|3,0,0]=4 657 B8R1.4 SC1=CC(Cl)=CC=C1 HR133383 [0,0,0,0,0,1|3,0,0]=4 658 B8R1.4 Sc1cccc(S)n1 HR102605 [0,0,0,0,0,1|3,0,0]=4 659 B5R0.1 C=C(C)OCC HR135003 [1,0,1,0,0,0|0,0,1]=3 660 B5R0.1 C=C(C)\C=C\[AlH3] HR142674 [1,0,1,0,0,0|2,0,0]=4 661 B5R0.1 C=CCC(=O)O HR124911 [1,0,1,0,0,0|1,0,1]=4 662 B5R0.1 C=CCC(C)O HR101482 [1,0,1,0,0,0|0,0,2]=4 663 B5R0.1 C=CCC(C)O HR144395 [1,0,1,0,0,0|0,0,2]=4 664 B5R0.1 C=CNC(C)=O HR112565 [1,0,1,0,0,0|1,0,1]=4 665 B5R0.1 C=COC(C)C HR122658 [1,0,1,0,0,0|0,0,2]=4 666 B5R0.1 CC(=O)OC=O HR100841 [1,0,1,0,0,0|2,0,0]=4 667 B5R0.1 CC(C)=CC=O HR138342 [1,0,1,0,0,0|2,0,0]=4 668 B5R0.1 CCOC(C)=N HR126641 [1,0,1,0,0,0|1,0,1]=4 669 B5R0.1 C\C=C\B(O)O HR109070 [1,0,1,0,0,0|2,0,0]=4 670 B5R0.1 C\C=C\C(=O)Cl HR100850 [1,0,1,0,0,0|1,0,1]=4 671 B5R0.1 C\C=C\C(=O)Cl HR133043 [1,0,1,0,0,0|1,0,1]=4 672 B5R0.1 O=C(O)\C=C\I HR145754 [1,0,1,0,0,0|2,0,0]=4 673 B5R0.2 CCO\C=C\Br ATXF02514 [1,0,1,0,0,0|1,0,1]=4 674 B5R0.2 CC\C=C\C=O HR111713 [1,0,1,0,0,0|0,0,2]=4 675 B5R0.2 CC\C=C\C=O HR139459 [1,0,1,0,0,0|0,0,2]=4 676 B5R0.2 C\C=C\CCC HR121014 [1,0,1,0,0,0|0,0,2]=4 677 B5R0.2 C\C=C\OCC HR128979 [1,0,1,0,0,0|0,0,2]=4 678 B5R0.3 C=CC(=O)OC LECQ00902 [1,0,1,0,0,0|1,0,0]=3 679 B5R0.3 COC(=O)C=O HR131069 [1,0,1,0,0,0|2,0,0]=4 680 B5R0.3 C\C=C(\C)C=O HR112466 [1,0,1,0,0,0|1,0,0]=3 681 B5R0.3 C\C=C(\C)C=O HR139746 [1,0,1,0,0,0|1,0,0]=3 682 B5R0.3 C\C=C(\C)[Mg]Br HR118108 [1,0,1,0,0,0|2,0,0]=4 683 B5R1.1 C1=CCOC1 HR126187 [2,0,0,0,0,0|0,0,2]=4 684 B5R1.1 C1=CNC=C1 HR147707 [2,0,0,0,0,0|1,0,0]=3 685 B5R1.1 C1=CNC=N1 HR131665 [2,0,0,0,0,0|2,0,0]=4 686 B5R1.1 C1=CNC=N1 PRCQ00204 [2,0,0,0,0,0|2,0,0]=4 687 B5R1.1 C1=CNN=C1 HR127099 [2,0,0,0,0,0|2,0,0]=4 688 B5R1.1 C1=COC=N1 HR135535 [2,0,0,0,0,0|1,0,0]=3 689 B5R1.1 C1=COCC1 CEJL02606 [2,0,0,0,0,0|0,0,2]=4 690 B5R1.1 C1=CON=C1 HR8623 [2,0,0,0,0,0|1,0,0]=3 691 B5R1.1 C1=CSC=C1 HR147733 [2,0,0,0,0,0|0,1,0]=3 692 B5R1.1 C1=CSC=N1 HR127648 [2,0,0,0,0,0|1,1,0]=4 693 B5R1.1 C1=CSN=C1 HR114528 [2,0,0,0,0,0|1,1,0]=4 694 B5R1.1 C1=C[CH-]C=C1 HR101505 [2,0,0,0,0,0|1,0,0]=3 695 B5R1.1 C1=C[CH-]C=C1 HR138115 [2,0,0,0,0,0|1,0,0]=3 696 B5R1.1 C1=C[CH-]C=C1 HR141305 [2,0,0,0,0,0|1,0,0]=3 697 B5R1.1 C1=C[CH-]C=C1 HR144503 [2,0,0,0,0,0|1,0,0]=3 698 B7R0.3 C=CC(=O)OCCC HR144889 [0,1,1,0,0,0|1,0,1]=4 699 B7R0.3 C=CC(=O)OCCO HR125757 [0,1,1,0,0,0|1,0,1]=4 700 B7R0.3 C=CCOC(=O)C=C HR107303 [0,1,1,0,0,0|1,0,1]=4 701 B7R0.7 C=C=CC(=O)OCC HR108306 [0,1,1,0,0,0|1,0,1]=4 702 B7R0.7 C=COC(=O)\C=C\C HR129020 [0,1,1,0,0,0|1,0,1]=4 703 B7R0.7 CCOC(=O)\C=C\I HR11670 [0,1,1,0,0,0|1,0,1]=4 704 B7R0.4 C=C\C=C\OC(C)=O HR141489 [0,1,1,0,0,0|0,0,2]=4 705 B7R0.4 CCC\C=C\C(C)=O HR30170 [0,1,1,0,0,0|0,0,2]=4 706 B7R0.4 CCO\C=C\C(=O)O HR20958 [0,1,1,0,0,0|1,0,1]=4 707 B7R0.4 CC\C=C\CC(=O)O HR109903 [0,1,1,0,0,0|1,0,1]=4 708 B7R0.4 C\C=C\C=C\C(=O)O HR125524 [0,1,1,0,0,0|1,0,0]=3 709 B7R0.4 C\C=C\C=C\C(=O)[O-] HR124997 [0,1,1,0,0,0|1,0,1]=4 710 B7R0.4 C\C=C\C=C\C(=O)[O-] HR125264 [0,1,1,0,0,0|1,0,1]=4 711 B7R0.6 CC(=O)\C=C\C(C)C HR142759 [0,1,1,0,0,0|0,0,2]=4 712 B7R0.6 CC(C)=CC=C(C)C HR147224 [0,1,1,0,0,0|1,0,0]=3 713 B7R0.6 CC(C)=CC=C(Cl)Cl HR111834 [0,1,1,0,0,0|2,0,0]=4 714 B7R0.6 CC(C)=CCC(=O)O HR108591 [0,1,1,0,0,0|1,0,1]=4 715 B7R0.6 NC(=O)\C=C\C(=O)O HR128108 [0,1,1,0,0,0|2,0,0]=4 716 B7R0.6 O=C(O)\C=C\C(=O)O AVCQ00606 [0,1,1,0,0,0|2,0,0]=4 717 B7R0.6 O=C(O)\C=C\C(=O)O HR130667 [0,1,1,0,0,0|2,0,0]=4 718 B7R0.6 O=C(O)\C=C\C(=O)O HR144505 [0,1,1,0,0,0|2,0,0]=4 719 B7R0.6 O=C([O-])\C=C\C(=O)O HR126362 [0,1,1,0,0,0|2,0,0]=4 720 B7R0.6 O=C([O-])\C=C\C(=O)O HR126685 [0,1,1,0,0,0|2,0,0]=4 721 B7R0.6 O=C([O-])\C=C\C(=O)O HR136832 [0,1,1,0,0,0|2,0,0]=4 722 B7R1.1 BrCC1=CC=CS1 HR107794 [1,1,0,0,0,0|0,1,0]=3 723 B7R1.1 BrCC1=CC=NN1 HR119316 [1,1,0,0,0,0|2,0,0]=4 724 B7R1.1 BrCC1=CC=NO1 HR111380 [1,1,0,0,0,0|1,0,0]=3 725 B7R1.1 BrCC1=CN=CN1 HR106193 [1,1,0,0,0,0|2,0,0]=4 726 B7R1.1 BrCC1=CN=CS1 HR111858 [1,1,0,0,0,0|1,1,0]=4 727 B7R1.1 BrCC1=COC=C1 HR105237 [1,1,0,0,0,0|2,0,0]=4 728 B7R1.1 BrCC1=CSC=C1 HR126049 [1,1,0,0,0,0|2,0,0]=4 729 B7R1.1 BrCC1=CSC=N1 HR112334 [1,1,0,0,0,0|2,0,0]=4 730 B7R1.1 BrCC1=NC=CN1 HR106504 [1,1,0,0,0,0|2,0,0]=4 731 B7R1.1 BrCC1=NC=CS1 HR110806 [1,1,0,0,0,0|1,1,0]=4 732 B7R1.1 Br[Mg]c1cccs1 HR115567 [1,1,0,0,0,0|1,1,0]=4 733 B7R1.1 C#CC1=CC=CS1 HR115815 [1,1,0,0,0,0|0,1,1]=4 734 B7R1.1 C=CC1=CC=CS1 HR127371 [1,1,0,0,0,0|0,1,1]=4 735 B7R1.1 CCC1=CC=CO1 HR125873 [1,1,0,0,0,0|0,0,0]=2 736 B7R1.1 CCC1=CC=CS1 HR111385 [1,1,0,0,0,0|0,1,0]=3 737 B7R1.1 CCC1=CSC=C1 HR124094 [1,1,0,0,0,0|2,0,0]=4 738 B7R1.1 CCC1=NC=CN1 HR15972 [1,1,0,0,0,0|2,0,0]=4 739 B7R1.1 CCC1=NC=CS1 HR130841 [1,1,0,0,0,0|1,1,0]=4 740 B7R1.1 CCN1C=CC=C1 HR125020 [1,1,0,0,0,0|2,0,0]=4 741 B7R1.1 CCN1C=CC=N1 HR102255 [1,1,0,0,0,0|2,0,0]=4 742 B7R1.1 CNC1=CN=CO1 HR119721 [1,1,0,0,0,0|1,0,0]=3 743 B7R1.1 CNC1=COC=N1 HR112378 [1,1,0,0,0,0|2,0,0]=4 744 B7R1.1 CNC1=NC=CS1 HR148142 [1,1,0,0,0,0|1,1,0]=4 745 B7R1.1 COC1=CC=CS1 HR128854 [1,1,0,0,0,0|0,1,0]=3 746 B7R1.1 COC1=CSC=C1 HR138278 [1,1,0,0,0,0|2,0,0]=4 747 B7R1.1 COC1=NC=CS1 HR146614 [1,1,0,0,0,0|1,1,0]=4 748 B7R1.1 CSC1=CC=CS1 HR119424 [1,1,0,0,0,0|0,1,0]=3 749 B7R1.1 CSC1=CSC=C1 HR153189 [1,1,0,0,0,0|2,0,0]=4 750 B7R1.1 ClCC1=CC=CS1 HR130983 [1,1,0,0,0,0|0,1,0]=3 751 B7R1.1 ClCC1=CC=NO1 HR106390 [1,1,0,0,0,0|1,0,0]=3 752 B7R1.1 ClCC1=CN=CO1 HR116607 [1,1,0,0,0,0|1,0,0]=3 753 B7R1.1 ClCC1=CN=CS1 HR112175 [1,1,0,0,0,0|1,1,0]=4 754 B7R1.1 ClCC1=CNC=N1 HR105878 [1,1,0,0,0,0|2,0,0]=4 755 B7R1.1 ClCC1=COC=C1 HR104894 [1,1,0,0,0,0|2,0,0]=4 756 B7R1.1 ClCC1=CSC=N1 HR108408 [1,1,0,0,0,0|2,0,0]=4 757 B7R1.1 ClCC1=CSC=N1 HR113899 [1,1,0,0,0,0|2,0,0]=4 758 B7R1.1 ClCC1=NC=CN1 HR106818 [1,1,0,0,0,0|2,0,0]=4 759 B7R1.1 ClCC1=NC=CO1 HR106973 [1,1,0,0,0,0|1,0,0]=3 760 B7R1.1 ClCC1=NC=CS1 HR111125 [1,1,0,0,0,0|1,1,0]=4 761 B7R1.1 ClCC1=NNC=C1 HR31924 [1,1,0,0,0,0|2,0,0]=4 762 B7R1.1 N#CC1=CC=CN1 HR131195 [1,1,0,0,0,0|1,0,1]=4 763 B7R1.1 N#CC1=CC=CO1 HR105593 [1,1,0,0,0,0|0,0,1]=3 764 B7R1.1 N#CC1=CC=CS1 HR127173 [1,1,0,0,0,0|0,1,1]=4 765 B7R1.1 N#CC1=CN=CO1 HR119400 [1,1,0,0,0,0|1,0,1]=4 766 B7R1.1 NCC1=CC=CN1 HR148675 [1,1,0,0,0,0|1,0,0]=3 767 B7R1.1 NCC1=CC=CS1 HR128270 [1,1,0,0,0,0|0,1,0]=3 768 B7R1.1 NCC1=CC=NN1 HR14846 [1,1,0,0,0,0|2,0,0]=4 769 B7R1.1 NCC1=CC=NO1 HR104828 [1,1,0,0,0,0|1,0,0]=3 770 B7R1.1 NCC1=CN=CO1 HR146908 [1,1,0,0,0,0|1,0,0]=3 771 B7R1.1 NCC1=CN=CS1 HR109298 [1,1,0,0,0,0|1,1,0]=4 772 B7R1.1 NCC1=COC=N1 HR106091 [1,1,0,0,0,0|2,0,0]=4 773 B7R1.1 NCC1=CSC=C1 HR134337 [1,1,0,0,0,0|2,0,0]=4 774 B7R1.1 NCC1=NC=CN1 HR115302 [1,1,0,0,0,0|2,0,0]=4 775 B7R1.1 NCC1=NC=CN1 HR117949 [1,1,0,0,0,0|2,0,0]=4 776 B7R1.1 NCC1=NC=CO1 HR121937 [1,1,0,0,0,0|1,0,0]=3 777 B7R1.1 NCC1=NC=CS1 HR117910 [1,1,0,0,0,0|1,1,0]=4 778 B7R1.1 NCC1=NC=CS1 HR118256 [1,1,0,0,0,0|1,1,0]=4 779 B7R1.1 NCC1=NN=CO1 HR32217 [1,1,0,0,0,0|2,0,0]=4 780 B7R1.1 NCC1=NNC=C1 HR110853 [1,1,0,0,0,0|2,0,0]=4 781 B7R1.1 NCC1=NSC=C1 HR102659 [1,1,0,0,0,0|2,0,0]=4 782 B7R1.1 NCC1C=CCO1 HR104311 [1,1,0,0,0,0|0,0,2]=4 783 B7R1.1 NCc1ccno1 HR111646 [1,1,0,0,0,0|1,0,0]=3 784 B7R1.1 NCc1cncs1 HR117632 [1,1,0,0,0,0|1,1,0]=4 785 B7R1.1 O=CC1=CC=CN1 HR133248 [1,1,0,0,0,0|1,0,1]=4 786 B7R1.1 O=CC1=CC=CO1 HR147284 [1,1,0,0,0,0|0,0,1]=3 787 B7R1.1 O=CC1=CN=CO1 HR120030 [1,1,0,0,0,0|1,0,1]=4 788 B7R1.1 O=CC1=NC=CO1 HR119983 [1,1,0,0,0,0|1,0,1]=4 789 B7R1.1 O=Cc1cccs1 HR125923 [1,1,0,0,0,0|0,1,1]=4 790 B7R1.1 OCC1=CC=CO1 HR147620 [1,1,0,0,0,0|0,0,0]=2 791 B7R1.1 OCC1=CC=CS1 HR136423 [1,1,0,0,0,0|0,1,0]=3 792 B7R1.1 OCC1=CC=NN1 HR118693 [1,1,0,0,0,0|2,0,0]=4 793 B7R1.1 OCC1=CC=NO1 HR105454 [1,1,0,0,0,0|1,0,0]=3 794 B7R1.1 OCC1=CC=NS1 HR114846 [1,1,0,0,0,0|1,1,0]=4 795 B7R1.1 OCC1=CN=CO1 HR120976 [1,1,0,0,0,0|1,0,0]=3 796 B7R1.1 OCC1=CN=CS1 HR126084 [1,1,0,0,0,0|1,1,0]=4 797 B7R1.1 OCC1=CNC=N1 HR138057 [1,1,0,0,0,0|2,0,0]=4 798 B7R1.1 OCC1=COC=C1 HR124594 [1,1,0,0,0,0|2,0,0]=4 799 B7R1.1 OCC1=COC=N1 HR121921 [1,1,0,0,0,0|2,0,0]=4 800 B7R1.1 OCC1=CSC=C1 HR123712 [1,1,0,0,0,0|2,0,0]=4 801 B7R1.1 OCC1=CSC=N1 HR121654 [1,1,0,0,0,0|2,0,0]=4 802 B7R1.1 OCC1=NC=CN1 HR146395 [1,1,0,0,0,0|2,0,0]=4 803 B7R1.1 OCC1=NC=CO1 HR105529 [1,1,0,0,0,0|1,0,0]=3 804 B7R1.1 OCC1=NC=CS1 HR123878 [1,1,0,0,0,0|1,1,0]=4 805 B7R1.1 OCN1C=CC=N1 HR112118 [1,1,0,0,0,0|2,0,0]=4 806 B7R1.1 SCC1=CC=CS1 HR139099 [1,1,0,0,0,0|0,1,0]=3 807 B7R1.4 BrC1=C(Br)SC=C1 HR129845 [1,1,0,0,0,0|1,1,0]=4 808 B7R1.4 CC1=C(Br)C=CS1 HR128369 [1,1,0,0,0,0|0,1,0]=3 809 B7R1.4 CC1=C(Br)C=NO1 HR120798 [1,1,0,0,0,0|1,0,0]=3 810 B7R1.4 CC1=C(Br)NC=N1 HR109319 [1,1,0,0,0,0|2,0,0]=4 811 B7R1.4 CC1=C(Br)SC=C1 HR5191 [1,1,0,0,0,0|1,1,0]=4 812 B7R1.4 CC1=C(C)NC=N1 HR8044 [1,1,0,0,0,0|2,0,0]=4 813 B7R1.4 CC1=C(C)ON=C1 HR105616 [1,1,0,0,0,0|1,0,0]=3 814 B7R1.4 CC1=C(C)SC=N1 HR135526 [1,1,0,0,0,0|1,1,0]=4 815 B7R1.4 CC1=C(Cl)SC=C1 HR130722 [1,1,0,0,0,0|1,1,0]=4 816 B7R1.4 CC1=C(I)C=NO1 HR103358 [1,1,0,0,0,0|1,0,0]=3 817 B7R1.4 CC1=C(N)C=NO1 HR112122 [1,1,0,0,0,0|1,0,0]=3 818 B7R1.4 CC1=C(S)C=CO1 HR127105 [1,1,0,0,0,0|0,0,0]=2 819 B7R1.4 CC1=C(S)C=CO1 HR138863 [1,1,0,0,0,0|0,0,0]=2 820 B7R1.4 CC1=C(S)C=CS1 HR109926 [1,1,0,0,0,0|0,1,0]=3 821 B7R1.4 CC1=C(S)CCO1 HR124755 [1,1,0,0,0,0|0,0,2]=4 822 B7R1.4 CC1=CC=NN1C HR125646 [1,1,0,0,0,0|2,0,0]=4 823 B7R1.4 CC1=CNN=C1C HR107041 [1,1,0,0,0,0|2,0,0]=4 824 B7R1.4 CC1=CSC=C1Br HR30444 [1,1,0,0,0,0|2,0,0]=4 825 B7R1.4 CC1=CSC=C1C HR112647 [1,1,0,0,0,0|2,0,0]=4 826 B7R1.4 CC1=CSC=C1N HR106606 [1,1,0,0,0,0|2,0,0]=4 827 B7R1.4 CC1=NC=CN1C HR128907 [1,1,0,0,0,0|2,0,0]=4 828 B7R1.4 CC1=NNC=C1Br HR131439 [1,1,0,0,0,0|2,0,0]=4 829 B7R1.4 CC1=NNC=C1I HR131707 [1,1,0,0,0,0|2,0,0]=4 830 B7R1.4 CN1N=CC=C1Br HR103779 [1,1,0,0,0,0|2,0,0]=4 831 B7R1.4 CN1N=CC=C1I HR109583 [1,1,0,0,0,0|2,0,0]=4 832 B7R1.4 CN1N=CC=C1N HR120280 [1,1,0,0,0,0|2,0,0]=4 833 B7R1.4 CN1N=CC=C1O HR119356 [1,1,0,0,0,0|2,0,0]=4 834 B7R1.4 CN1SC=CC1=O HR137410 [1,1,0,0,0,0|1,1,0]=4 835 B7R1.4 ClC1=C(Br)C=CS1 HR31859 [1,1,0,0,0,0|1,1,0]=4 836 B7R1.4 ClC1=C(Br)SC=C1 HR32396 [1,1,0,0,0,0|1,1,0]=4 837 B7R1.4 ClC1=C(Cl)SC=C1 HR133504 [1,1,0,0,0,0|1,1,0]=4 838 B7R1.4 O=C1OCC=C1Br HR102966 [1,1,0,0,0,0|1,0,1]=4 839 B9R1.1 BrCC1=CC=C(Br)C=C1 HR7460 [0,1,0,0,0,1|2,0,0]=4 840 B9R1.1 BrCC1=CC=C(I)C=C1 HR135650 [0,1,0,0,0,1|2,0,0]=4 841 B9R1.1 BrCC1=CN=C(Br)C=C1 HR120556 [0,1,0,0,0,1|2,0,0]=4 842 B9R1.1 C#CC1=CC=C(C)C=C1 HR136983 [0,1,0,0,0,1|1,0,1]=4 843 B9R1.1 C=CC1=CN=C(C)C=C1 HR130292 [0,1,0,0,0,1|1,0,1]=4 844 B9R1.1 CC1=CC=C(C#N)C=C1 HR8168 [0,1,0,0,0,1|1,0,1]=4 845 B9R1.1 CC1=CC=C(C#N)C=N1 HR103696 [0,1,0,0,0,1|1,0,1]=4 846 B9R1.1 CC1=CC=C(C=O)C=C1 HR131206 [0,1,0,0,0,1|1,0,1]=4 847 B9R1.1 CC1=CC=C(CBr)C=C1 HR123604 [0,1,0,0,0,1|1,0,0]=3 848 B9R1.1 CC1=CC=C(CCl)C=C1 HR128366 [0,1,0,0,0,1|1,0,0]=3 849 B9R1.1 CC1=CC=C(CN)C=C1 HR124253 [0,1,0,0,0,1|1,0,0]=3 850 B9R1.1 CC1=CC=C(CO)C=C1 HR127584 [0,1,0,0,0,1|1,0,0]=3 851 B9R1.1 CC1=CC=C(CO)C=N1 HR104447 [0,1,0,0,0,1|1,0,0]=3 852 B9R1.1 CC1=CC=C(NN)C=C1 HR102423 [0,1,0,0,0,1|2,0,0]=4 853 B9R1.1 CC1=CC=C(NN)C=C1 HR127308 [0,1,0,0,0,1|2,0,0]=4 854 B9R1.1 CC1=CC=C(NN)C=N1 HR114703 [0,1,0,0,0,1|2,0,0]=4 855 B9R1.1 CC1=CC=C(NN)N=N1 HR103031 [0,1,0,0,0,1|2,0,0]=4 856 B9R1.1 CC1=CC=C([Mg]Br)C=C1 HR110524 [0,1,0,0,0,1|2,0,0]=4 857 B9R1.1 CC1=CC=C([Mg]Cl)C=C1 HR116520 [0,1,0,0,0,1|2,0,0]=4 858 B9R1.1 CC1=CN=C(C#N)C=C1 HR12978 [0,1,0,0,0,1|1,0,1]=4 859 B9R1.1 CC1=CN=C(C=O)C=C1 HR133859 [0,1,0,0,0,1|1,0,1]=4 860 B9R1.1 CC1=CN=C(CCl)C=N1 HR107097 [0,1,0,0,0,1|2,0,0]=4 861 B9R1.1 CC1=CN=C(CCl)N=C1 HR103195 [0,1,0,0,0,1|2,0,0]=4 862 B9R1.1 CC1=CN=C(CN)C=C1 HR146882 [0,1,0,0,0,1|1,0,0]=3 863 B9R1.1 CC1=CN=C(CN)C=N1 HR109910 [0,1,0,0,0,1|2,0,0]=4 864 B9R1.1 CC1=CN=C(CO)C=C1 HR152994 [0,1,0,0,0,1|1,0,0]=3 865 B9R1.1 CC1=CN=C(CO)C=N1 HR147911 [0,1,0,0,0,1|2,0,0]=4 866 B9R1.1 CC1=NC=C(C=O)C=C1 HR120114 [0,1,0,0,0,1|1,0,1]=4 867 B9R1.1 CC1=NC=C(C=S)C=C1 HR152666 [0,1,0,0,0,1|1,0,1]=4 868 B9R1.1 CC1=NC=C(CCl)C=C1 HR102069 [0,1,0,0,0,1|1,0,0]=3 869 B9R1.1 CC1=NC=C(CCl)C=C1 HR119770 [0,1,0,0,0,1|1,0,0]=3 870 B9R1.1 CC1=NC=C(CCl)C=N1 HR110980 [0,1,0,0,0,1|2,0,0]=4 871 B9R1.1 CC1=NC=C(CO)C=N1 HR129814 [0,1,0,0,0,1|2,0,0]=4 872 B9R1.1 CCC1=CC=C(Br)C=C1 HR3772 [0,1,0,0,0,1|2,0,0]=4 873 B9R1.1 CCC1=CC=C(C)C=C1 HR139087 [0,1,0,0,0,1|1,0,0]=3 874 B9R1.1 CCC1=CC=C(F)C=C1 HR116057 [0,1,0,0,0,1|2,0,0]=4 875 B9R1.1 CCC1=CC=C(I)C=C1 HR134481 [0,1,0,0,0,1|2,0,0]=4 876 B9R1.1 CCC1=CC=C(N)C=C1 HR135678 [0,1,0,0,0,1|2,0,0]=4 877 B9R1.1 CCC1=CC=C(O)C=C1 HR3874 [0,1,0,0,0,1|2,0,0]=4 878 B9R1.1 CCC1=CC=C(S)C=C1 HR132680 [0,1,0,0,0,1|2,0,0]=4 879 B9R1.1 CCC1=CN=C(C)C=C1 HR10482 [0,1,0,0,0,1|1,0,0]=3 880 B9R1.1 CCC1=CN=C(O)C=C1 HR110137 [0,1,0,0,0,1|2,0,0]=4 881 B9R1.1 CCC1=NC=C(Br)C=C1 HR32793 [0,1,0,0,0,1|2,0,0]=4 882 B9R1.1 CCC1=NC=C(C)N=C1 HR128937 [0,1,0,0,0,1|2,0,0]=4 883 B9R1.1 CNC1=CC=C(C)C=C1 HR128207 [0,1,0,0,0,1|1,0,0]=3 884 B9R1.1 CNC1=CC=C(Cl)C=C1 HR139089 [0,1,0,0,0,1|2,0,0]=4 885 B9R1.1 CNC1=CC=C(Cl)N=N1 HR147548 [0,1,0,0,0,1|2,0,0]=4 886 B9R1.1 CNC1=CC=C(F)C=C1 HR143239 [0,1,0,0,0,1|2,0,0]=4 887 B9R1.1 CNC1=CC=C(I)C=C1 HR147442 [0,1,0,0,0,1|2,0,0]=4 888 B9R1.1 CNC1=CC=C(N)C=C1 HR124809 [0,1,0,0,0,1|2,0,0]=4 889 B9R1.1 CNC1=CC=C(N)C=C1 HR127936 [0,1,0,0,0,1|2,0,0]=4 890 B9R1.1 CNC1=CC=C(O)C=C1 HR142548 [0,1,0,0,0,1|2,0,0]=4 891 B9R1.1 CNC1=NC=C(Br)C=C1 HR147486 [0,1,0,0,0,1|2,0,0]=4 892 B9R1.1 COC1=CC=C(Br)C=C1 HR146915 [0,1,0,0,0,1|2,0,0]=4 893 B9R1.1 COC1=CC=C(Br)N=N1 HR105227 [0,1,0,0,0,1|2,0,0]=4 894 B9R1.1 COC1=CC=C(C)C=C1 HR132594 [0,1,0,0,0,1|1,0,0]=3 895 B9R1.1 COC1=CC=C(Cl)C=C1 HR124117 [0,1,0,0,0,1|2,0,0]=4 896 B9R1.1 COC1=CC=C(Cl)N=N1 HR133894 [0,1,0,0,0,1|2,0,0]=4 897 B9R1.1 COC1=CC=C(F)C=C1 HR129685 [0,1,0,0,0,1|2,0,0]=4 898 B9R1.1 COC1=CC=C(I)C=C1 HOJB00105 [0,1,0,0,0,1|2,0,0]=4 899 B9R1.1 COC1=CC=C(N)C=C1 HR146916 [0,1,0,0,0,1|2,0,0]=4 900 B9R1.1 COC1=CC=C(N)N=N1 HR111296 [0,1,0,0,0,1|2,0,0]=4 901 B9R1.1 COC1=CC=C(O)C=C1 HR2276 [0,1,0,0,0,1|2,0,0]=4 902 B9R1.1 COC1=CC=C(O)C=N1 HR32560 [0,1,0,0,0,1|2,0,0]=4 903 B9R1.1 COC1=CC=C(S)C=C1 HR122828 [0,1,0,0,0,1|2,0,0]=4 904 B9R1.1 COC1=CN=C(Br)C=C1 HR32803 [0,1,0,0,0,1|2,0,0]=4 905 B9R1.1 COC1=CN=C(Cl)C=C1 HR103038 [0,1,0,0,0,1|2,0,0]=4 906 B9R1.1 COC1=CN=C(F)C=C1 HR32552 [0,1,0,0,0,1|2,0,0]=4 907 B9R1.1 COC1=CN=C(N)C=C1 HR32397 [0,1,0,0,0,1|2,0,0]=4 908 B9R1.1 COC1=NC=C(Br)C=C1 HR137211 [0,1,0,0,0,1|2,0,0]=4 909 B9R1.1 COC1=NC=C(C)C=C1 HR6609 [0,1,0,0,0,1|1,0,0]=3 910 B9R1.1 COC1=NC=C(C)N=C1 HR123958 [0,1,0,0,0,1|2,0,0]=4 911 B9R1.1 COC1=NC=C(Cl)C=C1 HR114485 [0,1,0,0,0,1|2,0,0]=4 912 B9R1.1 COC1=NC=C(F)C=C1 HR11248 [0,1,0,0,0,1|2,0,0]=4 913 B9R1.1 COC1=NC=C(I)C=C1 HR156588 [0,1,0,0,0,1|2,0,0]=4 914 B9R1.1 COC1=NC=C(N)C=C1 HR132091 [0,1,0,0,0,1|2,0,0]=4 915 B9R1.1 COc1ccc(N)cc1 HR145121 [0,1,0,0,0,1|2,0,0]=4 916 B9R1.1 CSC1=CC=C(Br)C=C1 HR136118 [0,1,0,0,0,1|2,0,0]=4 917 B9R1.1 CSC1=CC=C(C)C=C1 HR101328 [0,1,0,0,0,1|1,0,0]=3 918 B9R1.1 CSC1=CC=C(Cl)C=C1 HR125986 [0,1,0,0,0,1|2,0,0]=4 919 B9R1.1 CSC1=CC=C(F)C=C1 HR102835 [0,1,0,0,0,1|2,0,0]=4 920 B9R1.1 CSC1=CC=C(I)C=C1 HR145122 [0,1,0,0,0,1|2,0,0]=4 921 B9R1.1 CSC1=CC=C(N)C=C1 HR138130 [0,1,0,0,0,1|2,0,0]=4 922 B9R1.1 CSC1=CC=C(O)C=C1 FEJL01902 [0,1,0,0,0,1|2,0,0]=4 923 B9R1.1 CSC1=CC=C(S)C=C1 HR136561 [0,1,0,0,0,1|2,0,0]=4 924 B9R1.1 CSC1=CN=C(Br)C=C1 HR152521 [0,1,0,0,0,1|2,0,0]=4 925 B9R1.1 CSC1=CN=C(C)C=N1 HR124466 [0,1,0,0,0,1|2,0,0]=4 926 B9R1.1 CSC1=CN=C(F)C=C1 HR152811 [0,1,0,0,0,1|2,0,0]=4 927 B9R1.1 CSC1=CN=C(N)C=C1 HR142025 [0,1,0,0,0,1|2,0,0]=4 928 B9R1.1 CSC1=NC=C(Br)C=C1 HR104024 [0,1,0,0,0,1|2,0,0]=4 929 B9R1.1 CSC1=NC=C(C)C=C1 HR152871 [0,1,0,0,0,1|1,0,0]=3 930 B9R1.1 CSC1=NC=C(C)C=N1 HR114762 [0,1,0,0,0,1|2,0,0]=4 931 B9R1.1 CSC1=NC=C(Cl)C=C1 HR152433 [0,1,0,0,0,1|2,0,0]=4 932 B9R1.1 Cc1ccc(NN)cc1 HR102634 [0,1,0,0,0,1|2,0,0]=4 933 B9R1.1 Cc1ccc(NN)cn1 HR142604 [0,1,0,0,0,1|2,0,0]=4 934 B9R1.1 ClC1=CC=C(CBr)C=C1 HR124533 [0,1,0,0,0,1|2,0,0]=4 935 B9R1.1 ClC1=NC=C(CBr)C=C1 HR140274 [0,1,0,0,0,1|2,0,0]=4 936 B9R1.1 ClCC1=CC=C(Br)C=C1 HR2478 [0,1,0,0,0,1|2,0,0]=4 937 B9R1.1 ClCC1=CN=C(Cl)C=C1 HR130451 [0,1,0,0,0,1|2,0,0]=4 938 B9R1.1 ClCC1=NC=C(Cl)C=C1 HR111339 [0,1,0,0,0,1|2,0,0]=4 939 B9R1.1 FC1=CC=C(CBr)C=C1 HR7354 [0,1,0,0,0,1|2,0,0]=4 940 B9R1.1 FC1=CC=C(CCl)C=C1 HR134207 [0,1,0,0,0,1|2,0,0]=4 941 B9R1.1 FC1=CC=C(CS)C=C1 HR143933 [0,1,0,0,0,1|2,0,0]=4 942 B9R1.1 NC1=CC=C(CO)C=C1 HR129902 [0,1,0,0,0,1|2,0,0]=4 943 B9R1.1 NC1=NC=C(CO)C=C1 HR106659 [0,1,0,0,0,1|2,0,0]=4 944 B9R1.1 NCC1=CC=C(Br)C=C1 HR100856 [0,1,0,0,0,1|2,0,0]=4 945 B9R1.1 NCC1=CC=C(Br)N=C1 HR147588 [0,1,0,0,0,1|2,0,0]=4 946 B9R1.1 NCC1=CC=C(Cl)C=C1 HR130978 [0,1,0,0,0,1|2,0,0]=4 947 B9R1.1 NCC1=CC=C(F)C=C1 HR133400 [0,1,0,0,0,1|2,0,0]=4 948 B9R1.1 NCC1=CC=C(I)C=C1 HR141334 [0,1,0,0,0,1|2,0,0]=4 949 B9R1.1 NCC1=CC=C(N)C=C1 HR117693 [0,1,0,0,0,1|2,0,0]=4 950 B9R1.1 NCC1=CC=C(N)C=C1 HR132876 [0,1,0,0,0,1|2,0,0]=4 951 B9R1.1 NCC1=CC=C(O)C=C1 HR113823 [0,1,0,0,0,1|2,0,0]=4 952 B9R1.1 NCC1=CN=C(Cl)C=C1 HR144934 [0,1,0,0,0,1|2,0,0]=4 953 B9R1.1 NCC1=NC=C(Br)C=C1 HR139695 [0,1,0,0,0,1|2,0,0]=4 954 B9R1.1 NCc1ccc(Br)cc1 HR116743 [0,1,0,0,0,1|2,0,0]=4 955 B9R1.1 O=C1C=CC(CO)=CN1 HR117167 [0,1,0,0,0,1|2,0,0]=4 956 B9R1.1 OCC1=CC=C(Br)C=C1 HR130106 [0,1,0,0,0,1|2,0,0]=4 957 B9R1.1 OCC1=CC=C(Br)N=C1 HR107324 [0,1,0,0,0,1|2,0,0]=4 958 B9R1.1 OCC1=CC=C(Cl)C=C1 HR130446 [0,1,0,0,0,1|2,0,0]=4 959 B9R1.1 OCC1=CC=C(F)C=C1 HR131236 [0,1,0,0,0,1|2,0,0]=4 960 B9R1.1 OCC1=CC=C(F)N=C1 HR138573 [0,1,0,0,0,1|2,0,0]=4 961 B9R1.1 OCC1=CC=C(I)C=C1 HR136446 [0,1,0,0,0,1|2,0,0]=4 962 B9R1.1 OCC1=CC=C(O)C=C1 HR134210 [0,1,0,0,0,1|2,0,0]=4 963 B9R1.1 OCC1=CC=C(S)C=C1 HR103947 [0,1,0,0,0,1|2,0,0]=4 964 B9R1.1 OCC1=CN=C(Cl)C=C1 HR12920 [0,1,0,0,0,1|2,0,0]=4 965 B9R1.1 OCC1=NC=C(Br)C=C1 HR125589 [0,1,0,0,0,1|2,0,0]=4 966 B9R1.1 OCC1=NC=C(Cl)C=C1 HR112429 [0,1,0,0,0,1|2,0,0]=4 967 B9R1.1 SCC1=CC=C(Br)C=C1 HR114279 [0,1,0,0,0,1|2,0,0]=4 968 B9R1.1 SCC1=CC=C(Cl)C=C1 HR128891 [0,1,0,0,0,1|2,0,0]=4 969 B9R1.1 [Zn+]CC1=CC=C(Br)C=C1 HR109497 [0,1,0,0,0,1|2,0,0]=4 970 B9R1.69 CC1=C(Br)C=C(Br)C=C1 HR3915 [0,1,0,0,0,1|2,0,0]=4 971 B9R1.69 CC1=C(Br)C=C(Cl)C=C1 HR128545 [0,1,0,0,0,1|2,0,0]=4 972 B9R1.69 CC1=C(Br)C=C(F)C=C1 HR1602 [0,1,0,0,0,1|2,0,0]=4 973 B9R1.69 CC1=C(Br)C=C(I)C=C1 HR120831 [0,1,0,0,0,1|2,0,0]=4 974 B9R1.69 CC1=C(Br)C=C(N)C=C1 HR135955 [0,1,0,0,0,1|2,0,0]=4 975 B9R1.69 CC1=C(Br)C=C(N)C=N1 HR102696 [0,1,0,0,0,1|2,0,0]=4 976 B9R1.69 CC1=C(Br)C=C(O)C=C1 HR31942 [0,1,0,0,0,1|2,0,0]=4 977 B9R1.69 CC1=C(C)C=C(Br)C=C1 HR146976 [0,1,0,0,0,1|2,0,0]=4 978 B9R1.69 CC1=C(C)C=C(Cl)C=C1 HR143529 [0,1,0,0,0,1|2,0,0]=4 979 B9R1.69 CC1=C(C)C=C(F)C=C1 HR129824 [0,1,0,0,0,1|2,0,0]=4 980 B9R1.69 CC1=C(C)C=C(I)C=C1 HR126918 [0,1,0,0,0,1|2,0,0]=4 981 B9R1.69 CC1=C(C)C=C(O)C=C1 HR154713 [0,1,0,0,0,1|2,0,0]=4 982 B9R1.69 CC1=C(C)C=C(S)C=C1 HR144805 [0,1,0,0,0,1|2,0,0]=4 983 B9R1.69 CC1=C(C)N=C(N)C=C1 HR139308 [0,1,0,0,0,1|2,0,0]=4 984 B9R1.69 CC1=C(Cl)C=C(Br)C=C1 HR128281 [0,1,0,0,0,1|2,0,0]=4 985 B9R1.69 CC1=C(Cl)C=C(F)C=C1 HR1605 [0,1,0,0,0,1|2,0,0]=4 986 B9R1.69 CC1=C(Cl)C=C(I)C=C1 HR132507 [0,1,0,0,0,1|2,0,0]=4 987 B9R1.69 CC1=C(Cl)C=C(N)C=C1 HR133155 [0,1,0,0,0,1|2,0,0]=4 988 B9R1.69 CC1=C(Cl)C=C(O)C=C1 HR107695 [0,1,0,0,0,1|2,0,0]=4 989 B9R1.69 CC1=C(Cl)C=C(O)C=N1 HR33361 [0,1,0,0,0,1|2,0,0]=4 990 B9R1.69 CC1=C(Cl)N=C(N)C=C1 HR145128 [0,1,0,0,0,1|2,0,0]=4 991 B9R1.69 CC1=C(F)C=C(Br)C=C1 HR130704 [0,1,0,0,0,1|2,0,0]=4 992 B9R1.69 CC1=C(F)C=C(Cl)C=C1 HR123332 [0,1,0,0,0,1|2,0,0]=4 993 B9R1.69 CC1=C(F)C=C(F)C=C1 HR129054 [0,1,0,0,0,1|2,0,0]=4 994 B9R1.69 CC1=C(F)C=C(I)C=C1 HR133593 [0,1,0,0,0,1|2,0,0]=4 995 B9R1.69 CC1=C(F)C=C(N)C=C1 HR1509 [0,1,0,0,0,1|2,0,0]=4 996 B9R1.69 CC1=C(F)C=C(O)C=C1 HR123808 [0,1,0,0,0,1|2,0,0]=4 997 B9R1.69 CC1=C(F)C=C(S)C=C1 HR139397 [0,1,0,0,0,1|2,0,0]=4 998 B9R1.69 CC1=C(I)C=C(Br)C=C1 HR153734 [0,1,0,0,0,1|2,0,0]=4 999 B9R1.69 CC1=C(I)C=C(Cl)C=C1 HR120686 [0,1,0,0,0,1|2,0,0]=4 1000 B9R1.69 CC1=C(I)C=C(F)C=C1 HR125570 [0,1,0,0,0,1|2,0,0]=4 1001 B9R1.69 CC1=C(I)C=C(N)C=C1 HR114542 [0,1,0,0,0,1|2,0,0]=4 1002 B9R1.69 CC1=C(I)C=C(O)C=C1 HR153876 [0,1,0,0,0,1|2,0,0]=4 1003 B9R1.69 CC1=C(N)C=C(Br)C=C1 HR138432 [0,1,0,0,0,1|2,0,0]=4 1004 B9R1.69 CC1=C(N)C=C(F)C=C1 HR130357 [0,1,0,0,0,1|2,0,0]=4 1005 B9R1.69 CC1=C(N)C=C(I)C=C1 HR134930 [0,1,0,0,0,1|2,0,0]=4 1006 B9R1.69 CC1=C(N)C=C(O)C=C1 HR139454 [0,1,0,0,0,1|2,0,0]=4 1007 B9R1.69 CC1=C(O)C=C(Br)C=C1 HR4132 [0,1,0,0,0,1|2,0,0]=4 1008 B9R1.69 CC1=C(O)C=C(Cl)C=C1 HR143829 [0,1,0,0,0,1|2,0,0]=4 1009 B9R1.69 CC1=C(O)C=C(F)C=C1 HR30155 [0,1,0,0,0,1|2,0,0]=4 1010 B9R1.69 CC1=C(O)C=C(I)C=C1 HR154066 [0,1,0,0,0,1|2,0,0]=4 1011 B9R1.69 CC1=C(O)C=C(O)C=C1 HR31937 [0,1,0,0,0,1|2,0,0]=4 1012 B9R1.69 CC1=C(S)C=C(Cl)C=C1 HR140266 [0,1,0,0,0,1|2,0,0]=4 1013 B9R1.69 CC1=CC(Br)=C(Br)C=C1 HR114393 [0,1,0,0,0,1|2,0,0]=4 1014 B9R1.69 CC1=CC(Br)=C(C)C=C1 HR108754 [0,1,0,0,0,1|1,0,0]=3 1015 B9R1.69 CC1=CC(Br)=C(Cl)C=C1 HR123229 [0,1,0,0,0,1|2,0,0]=4 1016 B9R1.69 CC1=CC(Br)=C(F)C=C1 HR1600 [0,1,0,0,0,1|2,0,0]=4 1017 B9R1.69 CC1=CC(Br)=C(I)C=C1 HR154163 [0,1,0,0,0,1|2,0,0]=4 1018 B9R1.69 CC1=CC(Br)=C(N)C=C1 HR124218 [0,1,0,0,0,1|2,0,0]=4 1019 B9R1.69 CC1=CC(Br)=C(N)C=N1 HR115425 [0,1,0,0,0,1|2,0,0]=4 1020 B9R1.69 CC1=CC(Br)=C(O)C=C1 HR136243 [0,1,0,0,0,1|2,0,0]=4 1021 B9R1.69 CC1=CC(Br)=CN=C1C HR112373 [0,1,0,0,0,1|2,0,0]=4 1022 B9R1.69 CC1=CC(C)=C(Br)C=C1 SPXF01306 [0,1,0,0,0,1|2,0,0]=4 1023 B9R1.69 CC1=CC(C)=C(I)C=C1 HR109163 [0,1,0,0,0,1|2,0,0]=4 1024 B9R1.69 CC1=CC(C)=C(N)C=C1 HR147082 [0,1,0,0,0,1|2,0,0]=4 1025 B9R1.69 CC1=CC(C)=C(S)C=C1 HR34171 [0,1,0,0,0,1|2,0,0]=4 1026 B9R1.69 CC1=CC(C)=NC=C1N HR113965 [0,1,0,0,0,1|2,0,0]=4 1027 B9R1.69 CC1=CC(Cl)=C(Br)C=C1 HR122455 [0,1,0,0,0,1|2,0,0]=4 1028 B9R1.69 CC1=CC(Cl)=C(C)C=C1 HR100328 [0,1,0,0,0,1|1,0,0]=3 1029 B9R1.69 CC1=CC(Cl)=C(Cl)C=C1 HR147323 [0,1,0,0,0,1|2,0,0]=4 1030 B9R1.69 CC1=CC(Cl)=C(F)C=C1 HR131984 [0,1,0,0,0,1|2,0,0]=4 1031 B9R1.69 CC1=CC(Cl)=C(I)C=C1 HR139398 [0,1,0,0,0,1|2,0,0]=4 1032 B9R1.69 CC1=CC(Cl)=C(N)C=C1 HR2472 [0,1,0,0,0,1|2,0,0]=4 1033 B9R1.69 CC1=CC(Cl)=C(O)C=C1 HR31963 [0,1,0,0,0,1|2,0,0]=4 1034 B9R1.69 CC1=CC(F)=C(Br)C=C1 HR1604 [0,1,0,0,0,1|2,0,0]=4 1035 B9R1.69 CC1=CC(F)=C(Cl)C=C1 HR131457 [0,1,0,0,0,1|2,0,0]=4 1036 B9R1.69 CC1=CC(F)=C(F)C=C1 HR1615 [0,1,0,0,0,1|2,0,0]=4 1037 B9R1.69 CC1=CC(F)=C(I)C=C1 HR113664 [0,1,0,0,0,1|2,0,0]=4 1038 B9R1.69 CC1=CC(F)=C(N)C=C1 HR127329 [0,1,0,0,0,1|2,0,0]=4 1039 B9R1.69 CC1=CC(F)=C(O)C=C1 HR153448 [0,1,0,0,0,1|2,0,0]=4 1040 B9R1.69 CC1=CC(I)=C(Br)C=C1 HR153893 [0,1,0,0,0,1|2,0,0]=4 1041 B9R1.69 CC1=CC(I)=C(Cl)C=C1 HR154049 [0,1,0,0,0,1|2,0,0]=4 1042 B9R1.69 CC1=CC(I)=C(F)C=C1 HR113344 [0,1,0,0,0,1|2,0,0]=4 1043 B9R1.69 CC1=CC(I)=C(N)C=C1 HR5353 [0,1,0,0,0,1|2,0,0]=4 1044 B9R1.69 CC1=CC(N)=C(Br)C=C1 HR4337 [0,1,0,0,0,1|2,0,0]=4 1045 B9R1.69 CC1=CC(N)=C(Cl)C=C1 HR134667 [0,1,0,0,0,1|2,0,0]=4 1046 B9R1.69 CC1=CC(N)=C(F)C=C1 HR123516 [0,1,0,0,0,1|2,0,0]=4 1047 B9R1.69 CC1=CC(N)=C(I)C=C1 HR20232 [0,1,0,0,0,1|2,0,0]=4 1048 B9R1.69 CC1=CC(N)=C(N)C=C1 HR131785 [0,1,0,0,0,1|2,0,0]=4 1049 B9R1.69 CC1=CC(N)=C(N)C=N1 HR110161 [0,1,0,0,0,1|2,0,0]=4 1050 B9R1.69 CC1=CC(N)=C(O)C=C1 HR135753 [0,1,0,0,0,1|2,0,0]=4 1051 B9R1.69 CC1=CC(O)=C(Br)C=C1 HR153447 [0,1,0,0,0,1|2,0,0]=4 1052 B9R1.69 CC1=CC(O)=C(C)C=C1 HR147008 [0,1,0,0,0,1|1,0,0]=3 1053 B9R1.69 CC1=CC(O)=C(F)C=C1 HR31579 [0,1,0,0,0,1|2,0,0]=4 1054 B9R1.69 CC1=CC(O)=C(N)C=C1 HR127266 [0,1,0,0,0,1|2,0,0]=4 1055 B9R1.69 CC1=CC(S)=C(C)C=C1 HR136062 [0,1,0,0,0,1|1,0,0]=3 1056 B9R1.69 CC1=CC(S)=C(N)C=C1 HR111845 [0,1,0,0,0,1|2,0,0]=4 1057 B9R1.69 CC1=CC=C(Br)C(C)=N1 HR129847 [0,1,0,0,0,1|2,0,0]=4 1058 B9R1.69 CC1=CC=C(Br)C(Cl)=N1 HR1286 [0,1,0,0,0,1|2,0,0]=4 1059 B9R1.69 CC1=CC=C(Br)C(F)=N1 HR6256 [0,1,0,0,0,1|2,0,0]=4 1060 B9R1.69 CC1=CC=C(Br)C(N)=N1 HR132509 [0,1,0,0,0,1|2,0,0]=4 1061 B9R1.69 CC1=CC=C(Br)C(O)=N1 HR33570 [0,1,0,0,0,1|2,0,0]=4 1062 B9R1.69 CC1=CC=C(Br)N=C1N HR33718 [0,1,0,0,0,1|2,0,0]=4 1063 B9R1.69 CC1=CC=C(C)C(N)=N1 HR111739 [0,1,0,0,0,1|1,0,0]=3 1064 B9R1.69 CC1=CC=C(Cl)C(Cl)=N1 HR118142 [0,1,0,0,0,1|2,0,0]=4 1065 B9R1.69 CC1=CC=C(Cl)N=C1Cl HR105715 [0,1,0,0,0,1|2,0,0]=4 1066 B9R1.69 CC1=CC=C(F)C(Br)=N1 HR123856 [0,1,0,0,0,1|2,0,0]=4 1067 B9R1.69 CC1=CC=C(F)C(Cl)=N1 HR131463 [0,1,0,0,0,1|2,0,0]=4 1068 B9R1.69 CC1=CC=C(F)N=C1C HR152686 [0,1,0,0,0,1|2,0,0]=4 1069 B9R1.69 CC1=CC=C(I)C(N)=N1 HR143963 [0,1,0,0,0,1|2,0,0]=4 1070 B9R1.69 CC1=CC=C(N)C(Br)=N1 HR138047 [0,1,0,0,0,1|2,0,0]=4 1071 B9R1.69 CC1=CC=C(N)C(C)=N1 HR142085 [0,1,0,0,0,1|2,0,0]=4 1072 B9R1.69 CC1=CC=C(N)C(Cl)=N1 HR1245 [0,1,0,0,0,1|2,0,0]=4 1073 B9R1.69 CC1=CC=C(N)C(F)=N1 HR123255 [0,1,0,0,0,1|2,0,0]=4 1074 B9R1.69 CC1=CC=C(N)C(N)=N1 HR102375 [0,1,0,0,0,1|2,0,0]=4 1075 B9R1.69 CC1=CC=C(N)C=C1O HR123833 [0,1,0,0,0,1|2,0,0]=4 1076 B9R1.69 CC1=CC=C(O)C(Br)=N1 HR109939 [0,1,0,0,0,1|2,0,0]=4 1077 B9R1.69 CC1=CC=C(O)C(C)=N1 HR129321 [0,1,0,0,0,1|2,0,0]=4 1078 B9R1.69 CC1=CC=C(O)C(F)=N1 HR105544 [0,1,0,0,0,1|2,0,0]=4 1079 B9R1.69 CC1=CC=C(O)C(I)=N1 HR145101 [0,1,0,0,0,1|2,0,0]=4 1080 B9R1.69 CC1=CC=C(O)C(N)=N1 HR33373 [0,1,0,0,0,1|2,0,0]=4 1081 B9R1.69 CC1=CC=C(O)C(O)=C1 HR127858 [0,1,0,0,0,1|2,0,0]=4 1082 B9R1.69 CC1=CN=C(Br)C(Br)=C1 HR5399 [0,1,0,0,0,1|2,0,0]=4 1083 B9R1.69 CC1=CN=C(Br)C(C)=C1 HR16831 [0,1,0,0,0,1|2,0,0]=4 1084 B9R1.69 CC1=CN=C(Br)C(Cl)=C1 HR113215 [0,1,0,0,0,1|2,0,0]=4 1085 B9R1.69 CC1=CN=C(Br)C(F)=C1 HR21377 [0,1,0,0,0,1|2,0,0]=4 1086 B9R1.69 CC1=CN=C(Br)C(I)=C1 HR110472 [0,1,0,0,0,1|2,0,0]=4 1087 B9R1.69 CC1=CN=C(Br)C(N)=C1 HR110273 [0,1,0,0,0,1|2,0,0]=4 1088 B9R1.69 CC1=CN=C(Br)C(O)=C1 HR146453 [0,1,0,0,0,1|2,0,0]=4 1089 B9R1.69 CC1=CN=C(C)C(Br)=C1 HR119302 [0,1,0,0,0,1|1,0,0]=3 1090 B9R1.69 CC1=CN=C(C)C(C)=C1 HR15901 [0,1,0,0,0,1|1,0,0]=3 1091 B9R1.69 CC1=CN=C(C)C(C)=N1 HR138322 [0,1,0,0,0,1|2,0,0]=4 1092 B9R1.69 CC1=CN=C(C)C(Cl)=N1 HR102851 [0,1,0,0,0,1|2,0,0]=4 1093 B9R1.69 CC1=CN=C(Cl)C(Br)=C1 HR129874 [0,1,0,0,0,1|2,0,0]=4 1094 B9R1.69 CC1=CN=C(Cl)C(Cl)=C1 HR135166 [0,1,0,0,0,1|2,0,0]=4 1095 B9R1.69 CC1=CN=C(Cl)C(F)=C1 HR14231 [0,1,0,0,0,1|2,0,0]=4 1096 B9R1.69 CC1=CN=C(Cl)C(N)=C1 HR1152 [0,1,0,0,0,1|2,0,0]=4 1097 B9R1.69 CC1=CN=C(Cl)C(O)=C1 HR6141 [0,1,0,0,0,1|2,0,0]=4 1098 B9R1.69 CC1=CN=C(Cl)C=C1Br HR148462 [0,1,0,0,0,1|2,0,0]=4 1099 B9R1.69 CC1=CN=C(Cl)C=C1Cl HR145032 [0,1,0,0,0,1|2,0,0]=4 1100 B9R1.69 CC1=CN=C(Cl)C=C1N HR110179 [0,1,0,0,0,1|2,0,0]=4 1101 B9R1.69 CC1=CN=C(F)C(Br)=C1 HR127769 [0,1,0,0,0,1|2,0,0]=4 1102 B9R1.69 CC1=CN=C(F)C(C)=C1 HR152586 [0,1,0,0,0,1|2,0,0]=4 1103 B9R1.69 CC1=CN=C(F)C(I)=C1 HR1304 [0,1,0,0,0,1|2,0,0]=4 1104 B9R1.69 CC1=CN=C(F)C(N)=C1 HR103840 [0,1,0,0,0,1|2,0,0]=4 1105 B9R1.69 CC1=CN=C(F)C(O)=C1 HR152598 [0,1,0,0,0,1|2,0,0]=4 1106 B9R1.69 CC1=CN=C(F)C=C1Br HR152648 [0,1,0,0,0,1|2,0,0]=4 1107 B9R1.69 CC1=CN=C(F)C=C1C HR152649 [0,1,0,0,0,1|2,0,0]=4 1108 B9R1.69 CC1=CN=C(F)C=C1I HR1305 [0,1,0,0,0,1|2,0,0]=4 1109 B9R1.69 CC1=CN=C(N)C(Br)=C1 HR2240 [0,1,0,0,0,1|2,0,0]=4 1110 B9R1.69 CC1=CN=C(N)C(Cl)=C1 HR109635 [0,1,0,0,0,1|2,0,0]=4 1111 B9R1.69 CC1=CN=C(N)C(N)=C1 HR120555 [0,1,0,0,0,1|2,0,0]=4 1112 B9R1.69 CC1=CN=C(O)C(Br)=C1 HR142600 [0,1,0,0,0,1|2,0,0]=4 1113 B9R1.69 CC1=CN=C(O)C(N)=C1 HR6518 [0,1,0,0,0,1|2,0,0]=4 1114 B9R1.69 CC1=CN=C(O)C=C1N FIJL00504 [0,1,0,0,0,1|2,0,0]=4 1115 B9R1.69 CC1=CNC(=O)C=C1I HR155271 [0,1,0,0,0,1|2,0,0]=4 1116 B9R1.69 CC1=NC=C(Br)C(Cl)=C1 HR146454 [0,1,0,0,0,1|2,0,0]=4 1117 B9R1.69 CC1=NC=C(Br)C=C1Br HR16457 [0,1,0,0,0,1|2,0,0]=4 1118 B9R1.69 CC1=NC=C(Br)C=C1Cl HR30322 [0,1,0,0,0,1|2,0,0]=4 1119 B9R1.69 CC1=NC=C(Br)C=C1N HR17523 [0,1,0,0,0,1|2,0,0]=4 1120 B9R1.69 CC1=NC=C(Br)C=C1O HR148745 [0,1,0,0,0,1|2,0,0]=4 1121 B9R1.69 CC1=NC=C(Cl)C(Cl)=C1 HR108892 [0,1,0,0,0,1|2,0,0]=4 1122 B9R1.69 CC1=NC=C(F)C(Cl)=C1 HR107312 [0,1,0,0,0,1|2,0,0]=4 1123 B9R1.69 CC1=NC=C(O)C=C1Br HR6702 [0,1,0,0,0,1|2,0,0]=4 1124 B9R1.69 CC1=[N+]([O-])C=C(Br)C=C1 HR142412 [0,1,0,0,0,1|2,0,0]=4 1125 B9R1.69 Cc1ccc(N)c(C)c1 HR101309 [0,1,0,0,0,1|2,0,0]=4 1126 B9R1.69 Cc1ccc(N)c(N)c1 HR142499 [0,1,0,0,0,1|2,0,0]=4 1127 B9R1.2 BrCC1=CC(Br)=CC=C1 HR122516 [0,1,0,0,0,1|2,0,0]=4 1128 B9R1.2 BrCC1=CC(I)=CC=C1 HR112540 [0,1,0,0,0,1|2,0,0]=4 1129 B9R1.2 BrCC1=CC=CC(Br)=N1 HR102510 [0,1,0,0,0,1|2,0,0]=4 1130 B9R1.2 C#CC1=CC=CC(C)=C1 HR139871 [0,1,0,0,0,1|1,0,1]=4 1131 B9R1.2 CC1=CC(C#N)=NC=C1 HR21387 [0,1,0,0,0,1|1,0,1]=4 1132 B9R1.2 CC1=CC(C=O)=CC=C1 HR128890 [0,1,0,0,0,1|1,0,1]=4 1133 B9R1.2 CC1=CC(C=O)=CN=C1 HR121509 [0,1,0,0,0,1|1,0,1]=4 1134 B9R1.2 CC1=CC(C=O)=NC=C1 HR130135 [0,1,0,0,0,1|1,0,1]=4 1135 B9R1.2 CC1=CC(NN)=CC=C1 HR118305 [0,1,0,0,0,1|2,0,0]=4 1136 B9R1.2 CC1=CC(NN)=NC=C1 HR148427 [0,1,0,0,0,1|2,0,0]=4 1137 B9R1.2 CC1=CC([Mg]Br)=CC=C1 HR121856 [0,1,0,0,0,1|2,0,0]=4 1138 B9R1.2 CC1=CC=CC(C#N)=C1 HR147064 [0,1,0,0,0,1|1,0,1]=4 1139 B9R1.2 CC1=CC=CC(C#N)=N1 HR125912 [0,1,0,0,0,1|1,0,1]=4 1140 B9R1.2 CC1=CC=CC(C=O)=N1 HR135669 [0,1,0,0,0,1|1,0,1]=4 1141 B9R1.2 CC1=CC=CC(CBr)=C1 HR132756 [0,1,0,0,0,1|1,0,0]=3 1142 B9R1.2 CC1=CC=CC(CBr)=N1 HR138125 [0,1,0,0,0,1|1,0,0]=3 1143 B9R1.2 CC1=CC=CC(CCl)=C1 HR132041 [0,1,0,0,0,1|1,0,0]=3 1144 B9R1.2 CC1=CC=CC(CCl)=N1 HR117937 [0,1,0,0,0,1|1,0,0]=3 1145 B9R1.2 CC1=CC=CC(CN)=C1 HR134990 [0,1,0,0,0,1|1,0,0]=3 1146 B9R1.2 CC1=CC=CC(CN)=N1 HR105915 [0,1,0,0,0,1|1,0,0]=3 1147 B9R1.2 CC1=CC=CC(CO)=C1 HR138128 [0,1,0,0,0,1|1,0,0]=3 1148 B9R1.2 CC1=CC=CC(CO)=N1 HR20959 [0,1,0,0,0,1|1,0,0]=3 1149 B9R1.2 CC1=CC=CC(CS)=C1 HR119173 [0,1,0,0,0,1|1,0,0]=3 1150 B9R1.2 CC1=CC=CC(NN)=C1 HR128310 [0,1,0,0,0,1|2,0,0]=4 1151 B9R1.2 CC1=CC=CC(NN)=N1 HR145919 [0,1,0,0,0,1|2,0,0]=4 1152 B9R1.2 CC1=CN=CC(C#N)=C1 HR131719 [0,1,0,0,0,1|1,0,1]=4 1153 B9R1.2 CC1=CN=CC(CCl)=C1 HR107932 [0,1,0,0,0,1|1,0,0]=3 1154 B9R1.2 CC1=CN=CC(CO)=C1 HR103480 [0,1,0,0,0,1|1,0,0]=3 1155 B9R1.2 CC1=NC=CC(C#N)=C1 HR30164 [0,1,0,0,0,1|1,0,1]=4 1156 B9R1.2 CC1=NC=CC(C=O)=C1 HR136587 [0,1,0,0,0,1|1,0,1]=4 1157 B9R1.2 CC1=NC=CC(C=O)=N1 HR121597 [0,1,0,0,0,1|1,0,1]=4 1158 B9R1.2 CC1=NC=CC(CN)=C1 HR33910 [0,1,0,0,0,1|1,0,0]=3 1159 B9R1.2 CC1=NC=CC(CO)=C1 HR120041 [0,1,0,0,0,1|1,0,0]=3 1160 B9R1.2 CCC1=CC(Br)=NC=C1 HR121490 [0,1,0,0,0,1|2,0,0]=4 1161 B9R1.2 CCC1=CC(N)=NC=C1 HR112213 [0,1,0,0,0,1|2,0,0]=4 1162 B9R1.2 CCC1=CC=CC(Br)=C1 HR140648 [0,1,0,0,0,1|2,0,0]=4 1163 B9R1.2 CCC1=CC=CC(Cl)=C1 HR105116 [0,1,0,0,0,1|2,0,0]=4 1164 B9R1.2 CCC1=CC=CC(N)=C1 HR117646 [0,1,0,0,0,1|2,0,0]=4 1165 B9R1.2 CCC1=CC=CC(N)=N1 HR111426 [0,1,0,0,0,1|2,0,0]=4 1166 B9R1.2 CCC1=CC=CC(O)=C1 HR132582 [0,1,0,0,0,1|2,0,0]=4 1167 B9R1.2 CCC1=CN=CC(Br)=C1 HR147705 [0,1,0,0,0,1|2,0,0]=4 1168 B9R1.2 CCC1=NC(C)=CN=C1 HR103679 [0,1,0,0,0,1|1,0,0]=3 1169 B9R1.2 CNC1=CC(Br)=CC=C1 HR109153 [0,1,0,0,0,1|2,0,0]=4 1170 B9R1.2 CNC1=CC(Br)=CN=C1 HR33743 [0,1,0,0,0,1|2,0,0]=4 1171 B9R1.2 CNC1=CC(Br)=NC=C1 HR32609 [0,1,0,0,0,1|2,0,0]=4 1172 B9R1.2 CNC1=CC(Cl)=CC=C1 HR9202 [0,1,0,0,0,1|2,0,0]=4 1173 B9R1.2 CNC1=CC(F)=CC=C1 HR102295 [0,1,0,0,0,1|2,0,0]=4 1174 B9R1.2 CNC1=CC=CC(C)=C1 HR128472 [0,1,0,0,0,1|1,0,0]=3 1175 B9R1.2 CNC1=CC=CC(N)=C1 HR113475 [0,1,0,0,0,1|2,0,0]=4 1176 B9R1.2 CNC1=CC=CC(O)=C1 HR31869 [0,1,0,0,0,1|2,0,0]=4 1177 B9R1.2 CNC1=NC(Cl)=CC=C1 HR139033 [0,1,0,0,0,1|2,0,0]=4 1178 B9R1.2 CNC1=NC(Cl)=CN=C1 HR147547 [0,1,0,0,0,1|2,0,0]=4 1179 B9R1.2 CNC1=NC(Cl)=NC=C1 HR110496 [0,1,0,0,0,1|2,0,0]=4 1180 B9R1.2 CNC1=NC(N)=NC=C1 HR111395 [0,1,0,0,0,1|2,0,0]=4 1181 B9R1.2 CNC1=NC=CC(Br)=C1 HR30707 [0,1,0,0,0,1|2,0,0]=4 1182 B9R1.2 CNC1=NC=CC(Br)=N1 HR148561 [0,1,0,0,0,1|2,0,0]=4 1183 B9R1.2 CNC1=NC=CC(Cl)=N1 HR147306 [0,1,0,0,0,1|2,0,0]=4 1184 B9R1.2 CNC1=NC=CC(I)=C1 HR152755 [0,1,0,0,0,1|2,0,0]=4 1185 B9R1.2 CNC1=NC=CC(N)=N1 HR118239 [0,1,0,0,0,1|2,0,0]=4 1186 B9R1.2 COC1=CC(Br)=NC=C1 HR30626 [0,1,0,0,0,1|2,0,0]=4 1187 B9R1.2 COC1=CC(C)=CC=C1 HR135808 [0,1,0,0,0,1|1,0,0]=3 1188 B9R1.2 COC1=CC(C)=CN=C1 HR104484 [0,1,0,0,0,1|1,0,0]=3 1189 B9R1.2 COC1=CC(Cl)=NC=C1 HR30624 [0,1,0,0,0,1|2,0,0]=4 1190 B9R1.2 COC1=CC(F)=CC=C1 HR129426 [0,1,0,0,0,1|2,0,0]=4 1191 B9R1.2 COC1=CC(F)=NC=C1 HR34007 [0,1,0,0,0,1|2,0,0]=4 1192 B9R1.2 COC1=CC(N)=NC=C1 HR130386 [0,1,0,0,0,1|2,0,0]=4 1193 B9R1.2 COC1=CC(O)=NC=C1 HR117471 [0,1,0,0,0,1|2,0,0]=4 1194 B9R1.2 COC1=CC=CC(Br)=C1 HR136293 [0,1,0,0,0,1|2,0,0]=4 1195 B9R1.2 COC1=CC=CC(Br)=N1 HR136250 [0,1,0,0,0,1|2,0,0]=4 1196 B9R1.2 COC1=CC=CC(Cl)=C1 HR123852 [0,1,0,0,0,1|2,0,0]=4 1197 B9R1.2 COC1=CC=CC(Cl)=N1 HR136204 [0,1,0,0,0,1|2,0,0]=4 1198 B9R1.2 COC1=CC=CC(I)=C1 HR139943 [0,1,0,0,0,1|2,0,0]=4 1199 B9R1.2 COC1=CC=CC(I)=N1 HR32677 [0,1,0,0,0,1|2,0,0]=4 1200 B9R1.2 COC1=CC=CC(N)=N1 HR12919 [0,1,0,0,0,1|2,0,0]=4 1201 B9R1.2 COC1=CC=CC(O)=C1 HR134507 [0,1,0,0,0,1|2,0,0]=4 1202 B9R1.2 COC1=CC=CC(S)=C1 HR122562 [0,1,0,0,0,1|2,0,0]=4 1203 B9R1.2 COC1=CN=CC(Br)=C1 HR133604 [0,1,0,0,0,1|2,0,0]=4 1204 B9R1.2 COC1=CN=CC(Cl)=C1 HR136337 [0,1,0,0,0,1|2,0,0]=4 1205 B9R1.2 COC1=CN=CC(Cl)=N1 HR147275 [0,1,0,0,0,1|2,0,0]=4 1206 B9R1.2 COC1=CN=CC(F)=C1 HR152698 [0,1,0,0,0,1|2,0,0]=4 1207 B9R1.2 COC1=CN=CC(N)=C1 HR33750 [0,1,0,0,0,1|2,0,0]=4 1208 B9R1.2 COC1=CN=CC(N)=N1 HR115560 [0,1,0,0,0,1|2,0,0]=4 1209 B9R1.2 COC1=CN=CC(O)=C1 HR106001 [0,1,0,0,0,1|2,0,0]=4 1210 B9R1.2 COC1=NC(Br)=NC=C1 HR30559 [0,1,0,0,0,1|2,0,0]=4 1211 B9R1.2 COC1=NC(C)=CC=C1 HR130037 [0,1,0,0,0,1|1,0,0]=3 1212 B9R1.2 COC1=NC(C)=CN=C1 HR124217 [0,1,0,0,0,1|1,0,0]=3 1213 B9R1.2 COC1=NC(C)=NC=C1 HR146475 [0,1,0,0,0,1|1,0,0]=3 1214 B9R1.2 COC1=NC(Cl)=NC=C1 HR116189 [0,1,0,0,0,1|2,0,0]=4 1215 B9R1.2 COC1=NC(I)=NC=C1 HR115520 [0,1,0,0,0,1|2,0,0]=4 1216 B9R1.2 COC1=NC(N)=NC=C1 HR30561 [0,1,0,0,0,1|2,0,0]=4 1217 B9R1.2 COC1=NC=CC(Br)=C1 HR30416 [0,1,0,0,0,1|2,0,0]=4 1218 B9R1.2 COC1=NC=CC(Br)=N1 HR32577 [0,1,0,0,0,1|2,0,0]=4 1219 B9R1.2 COC1=NC=CC(C)=C1 HR138011 [0,1,0,0,0,1|1,0,0]=3 1220 B9R1.2 COC1=NC=CC(Cl)=C1 HR6663 [0,1,0,0,0,1|2,0,0]=4 1221 B9R1.2 COC1=NC=CC(Cl)=N1 HR112747 [0,1,0,0,0,1|2,0,0]=4 1222 B9R1.2 COC1=NC=CC(F)=C1 HR109376 [0,1,0,0,0,1|2,0,0]=4 1223 B9R1.2 COC1=NC=CC(I)=C1 HR108979 [0,1,0,0,0,1|2,0,0]=4 1224 B9R1.2 COC1=NC=CC(N)=C1 HR117526 [0,1,0,0,0,1|2,0,0]=4 1225 B9R1.2 COC1=NC=CC(N)=C1 HR6595 [0,1,0,0,0,1|2,0,0]=4 1226 B9R1.2 COC1=NC=CC(N)=N1 HR30560 [0,1,0,0,0,1|2,0,0]=4 1227 B9R1.2 COC1=NC=CC(O)=C1 HR143478 [0,1,0,0,0,1|2,0,0]=4 1228 B9R1.2 COC1=NC=CC(O)=N1 HR112117 [0,1,0,0,0,1|2,0,0]=4 1229 B9R1.2 CSC1=CC(Br)=CC=C1 PRXM00601 [0,1,0,0,0,1|2,0,0]=4 1230 B9R1.2 CSC1=CC(Cl)=CC=C1 HR154063 [0,1,0,0,0,1|2,0,0]=4 1231 B9R1.2 CSC1=CC(Cl)=NC=C1 HR113628 [0,1,0,0,0,1|2,0,0]=4 1232 B9R1.2 CSC1=CC(F)=CC=C1 HR139303 [0,1,0,0,0,1|2,0,0]=4 1233 B9R1.2 CSC1=CC(F)=NC=C1 HR152916 [0,1,0,0,0,1|2,0,0]=4 1234 B9R1.2 CSC1=CC(N)=CC=C1 HR10635 [0,1,0,0,0,1|2,0,0]=4 1235 B9R1.2 CSC1=CC=CC(Br)=N1 HR31868 [0,1,0,0,0,1|2,0,0]=4 1236 B9R1.2 CSC1=CC=CC(C)=C1 HR140264 [0,1,0,0,0,1|1,0,0]=3 1237 B9R1.2 CSC1=CC=CC(I)=C1 HR139126 [0,1,0,0,0,1|2,0,0]=4 1238 B9R1.2 CSC1=CN=CC(Br)=C1 HR152656 [0,1,0,0,0,1|2,0,0]=4 1239 B9R1.2 CSC1=CN=CC(C)=N1 HR124732 [0,1,0,0,0,1|1,0,0]=3 1240 B9R1.2 CSC1=CN=CC(Cl)=C1 HR153113 [0,1,0,0,0,1|2,0,0]=4 1241 B9R1.2 CSC1=CN=CC(O)=C1 HR152980 [0,1,0,0,0,1|2,0,0]=4 1242 B9R1.2 CSC1=NC(Cl)=NC=C1 HR109499 [0,1,0,0,0,1|2,0,0]=4 1243 B9R1.2 CSC1=NC=CC(=O)N1 HR138000 [0,1,0,0,0,1|2,0,0]=4 1244 B9R1.2 CSC1=NC=CC(Br)=N1 HR113104 [0,1,0,0,0,1|2,0,0]=4 1245 B9R1.2 CSC1=NC=CC(C)=N1 HR102479 [0,1,0,0,0,1|1,0,0]=3 1246 B9R1.2 CSC1=NC=CC(Cl)=C1 HR148091 [0,1,0,0,0,1|2,0,0]=4 1247 B9R1.2 CSC1=NC=CC(Cl)=N1 HR138302 [0,1,0,0,0,1|2,0,0]=4 1248 B9R1.2 CSC1=NC=CC(N)=N1 HR118029 [0,1,0,0,0,1|2,0,0]=4 1249 B9R1.2 Cc1cccc([Mg]Cl)c1 HR108627 [0,1,0,0,0,1|2,0,0]=4 1250 B9R1.2 ClC1=CC=CC(CBr)=C1 HR132227 [0,1,0,0,0,1|2,0,0]=4 1251 B9R1.2 ClC1=CC=CC(CBr)=N1 HR153010 [0,1,0,0,0,1|2,0,0]=4 1252 B9R1.2 ClC1=NC=CC(CBr)=C1 HR121367 [0,1,0,0,0,1|2,0,0]=4 1253 B9R1.2 ClCC1=CC(Br)=CC=C1 HR141825 [0,1,0,0,0,1|2,0,0]=4 1254 B9R1.2 ClCC1=CC(Cl)=CC=C1 HR131510 [0,1,0,0,0,1|2,0,0]=4 1255 B9R1.2 ClCC1=CC(Cl)=NC=C1 HR112398 [0,1,0,0,0,1|2,0,0]=4 1256 B9R1.2 ClCC1=CC=CC(Cl)=N1 HR103245 [0,1,0,0,0,1|2,0,0]=4 1257 B9R1.2 FC1=CC=CC(CBr)=C1 HR122719 [0,1,0,0,0,1|2,0,0]=4 1258 B9R1.2 FC1=CC=CC(CCl)=C1 HR133938 [0,1,0,0,0,1|2,0,0]=4 1259 B9R1.2 FCC1=NC=CC(Cl)=N1 HR150599 [0,1,0,0,0,1|2,0,0]=4 1260 B9R1.2 NC1=CC=CC(CO)=C1 HR135100 [0,1,0,0,0,1|2,0,0]=4 1261 B9R1.2 NC1=CC=CC(CO)=N1 HR108688 [0,1,0,0,0,1|2,0,0]=4 1262 B9R1.2 NC1=CN=CC(CO)=C1 HR142599 [0,1,0,0,0,1|2,0,0]=4 1263 B9R1.2 NC1=NC(CCl)=NC=C1 HR103800 [0,1,0,0,0,1|2,0,0]=4 1264 B9R1.2 NC1=NC=CC(CO)=C1 HR30048 [0,1,0,0,0,1|2,0,0]=4 1265 B9R1.2 NCC1=CC(Br)=CC=C1 HR122489 [0,1,0,0,0,1|2,0,0]=4 1266 B9R1.2 NCC1=CC(Br)=CC=C1 HR123871 [0,1,0,0,0,1|2,0,0]=4 1267 B9R1.2 NCC1=CC(Br)=CN=C1 HR102985 [0,1,0,0,0,1|2,0,0]=4 1268 B9R1.2 NCC1=CC(Cl)=CC=C1 HR135363 [0,1,0,0,0,1|2,0,0]=4 1269 B9R1.2 NCC1=CC(F)=CC=C1 HR138534 [0,1,0,0,0,1|2,0,0]=4 1270 B9R1.2 NCC1=CC(F)=NC=C1 HR34018 [0,1,0,0,0,1|2,0,0]=4 1271 B9R1.2 NCC1=CC(I)=CC=C1 HR106172 [0,1,0,0,0,1|2,0,0]=4 1272 B9R1.2 NCC1=CC(I)=CC=C1 HR124334 [0,1,0,0,0,1|2,0,0]=4 1273 B9R1.2 NCC1=CC(N)=CC=C1 HR125229 [0,1,0,0,0,1|2,0,0]=4 1274 B9R1.2 NCC1=CC(N)=NC=C1 HR107899 [0,1,0,0,0,1|2,0,0]=4 1275 B9R1.2 NCC1=CC=CC(O)=C1 HR116688 [0,1,0,0,0,1|2,0,0]=4 1276 B9R1.2 NCC1=NC(Br)=CC=C1 HR120166 [0,1,0,0,0,1|2,0,0]=4 1277 B9R1.2 NCC1=NC=CC(Br)=C1 HR117574 [0,1,0,0,0,1|2,0,0]=4 1278 B9R1.2 NCC1=NC=CC(Cl)=C1 HR146853 [0,1,0,0,0,1|2,0,0]=4 1279 B9R1.2 NCC1=NC=CC(Cl)=N1 HR113724 [0,1,0,0,0,1|2,0,0]=4 1280 B9R1.2 NCC1=NC=CC(F)=C1 HR117840 [0,1,0,0,0,1|2,0,0]=4 1281 B9R1.2 OCC1=CC(Br)=CC=C1 HR135241 [0,1,0,0,0,1|2,0,0]=4 1282 B9R1.2 OCC1=CC(Br)=CN=C1 HR114325 [0,1,0,0,0,1|2,0,0]=4 1283 B9R1.2 OCC1=CC(Br)=NC=C1 HR127451 [0,1,0,0,0,1|2,0,0]=4 1284 B9R1.2 OCC1=CC(Cl)=CC=C1 HR130178 [0,1,0,0,0,1|2,0,0]=4 1285 B9R1.2 OCC1=CC(Cl)=CN=C1 HR131696 [0,1,0,0,0,1|2,0,0]=4 1286 B9R1.2 OCC1=CC(Cl)=NC=C1 HR116926 [0,1,0,0,0,1|2,0,0]=4 1287 B9R1.2 OCC1=CC(F)=CC=C1 HR132286 [0,1,0,0,0,1|2,0,0]=4 1288 B9R1.2 OCC1=CC(F)=CN=C1 HR152444 [0,1,0,0,0,1|2,0,0]=4 1289 B9R1.2 OCC1=CC(F)=NC=C1 HR147281 [0,1,0,0,0,1|2,0,0]=4 1290 B9R1.2 OCC1=CC(I)=CC=C1 HR143741 [0,1,0,0,0,1|2,0,0]=4 1291 B9R1.2 OCC1=CC(O)=CC=C1 HR133941 [0,1,0,0,0,1|2,0,0]=4 1292 B9R1.2 OCC1=NC(Br)=CC=C1 HR127705 [0,1,0,0,0,1|2,0,0]=4 1293 B9R1.2 OCC1=NC(Cl)=CC=C1 HR101923 [0,1,0,0,0,1|2,0,0]=4 1294 B9R1.2 OCC1=NC=CC(Br)=C1 HR113342 [0,1,0,0,0,1|2,0,0]=4 1295 B9R1.2 OCC1=NC=CC(Cl)=C1 HR9828 [0,1,0,0,0,1|2,0,0]=4 1296 B9R1.2 OCc1cccc(Cl)n1 HR110468 [0,1,0,0,0,1|2,0,0]=4 1297 B9R1.3 CC1=C(Br)C(=O)NC=C1 HR118768 [0,1,0,0,0,1|2,0,0]=4 1298 B9R1.3 CC1=C(Br)C(Br)=NC=C1 HR32744 [0,1,0,0,0,1|2,0,0]=4 1299 B9R1.3 CC1=C(Br)C(Cl)=NC=C1 HR1290 [0,1,0,0,0,1|2,0,0]=4 1300 B9R1.3 CC1=C(Br)C(F)=CC=C1 HR127981 [0,1,0,0,0,1|2,0,0]=4 1301 B9R1.3 CC1=C(Br)C(F)=NC=C1 HR107748 [0,1,0,0,0,1|2,0,0]=4 1302 B9R1.3 CC1=C(Br)C(N)=NC=C1 HR102628 [0,1,0,0,0,1|2,0,0]=4 1303 B9R1.3 CC1=C(C)C(Cl)=NC=C1 HR144296 [0,1,0,0,0,1|2,0,0]=4 1304 B9R1.3 CC1=C(C)C(N)=NC=C1 HR139131 [0,1,0,0,0,1|2,0,0]=4 1305 B9R1.3 CC1=C(Cl)C(Br)=NC=C1 HR108061 [0,1,0,0,0,1|2,0,0]=4 1306 B9R1.3 CC1=C(Cl)C(Cl)=NC=C1 HR104062 [0,1,0,0,0,1|2,0,0]=4 1307 B9R1.3 CC1=C(Cl)C(F)=CC=C1 HR109538 [0,1,0,0,0,1|2,0,0]=4 1308 B9R1.3 CC1=C(Cl)C(F)=NC=C1 HR155462 [0,1,0,0,0,1|2,0,0]=4 1309 B9R1.3 CC1=C(F)C(Br)=CC=C1 HR136489 [0,1,0,0,0,1|2,0,0]=4 1310 B9R1.3 CC1=C(F)C(Br)=NC=C1 HR147000 [0,1,0,0,0,1|2,0,0]=4 1311 B9R1.3 CC1=C(F)C(Cl)=CC=C1 HR30030 [0,1,0,0,0,1|2,0,0]=4 1312 B9R1.3 CC1=C(F)C(Cl)=NC=C1 HR131411 [0,1,0,0,0,1|2,0,0]=4 1313 B9R1.3 CC1=C(F)C(F)=CC=C1 HR130913 [0,1,0,0,0,1|2,0,0]=4 1314 B9R1.3 CC1=C(I)C(Br)=NC=C1 HR139696 [0,1,0,0,0,1|2,0,0]=4 1315 B9R1.3 CC1=C(I)C(Cl)=CC=C1 HR146563 [0,1,0,0,0,1|2,0,0]=4 1316 B9R1.3 CC1=C(I)C(F)=CC=C1 HR4552 [0,1,0,0,0,1|2,0,0]=4 1317 B9R1.3 CC1=C(I)C(F)=NC=C1 HR156545 [0,1,0,0,0,1|2,0,0]=4 1318 B9R1.3 CC1=C(N)C(Br)=NC=C1 HR136999 [0,1,0,0,0,1|2,0,0]=4 1319 B9R1.3 CC1=C(N)C(Cl)=NC=C1 HR134268 [0,1,0,0,0,1|2,0,0]=4 1320 B9R1.3 CC1=C(N)C(F)=NC=C1 HR106526 [0,1,0,0,0,1|2,0,0]=4 1321 B9R1.3 CC1=C(N)C(N)=CC=C1 HR130988 [0,1,0,0,0,1|2,0,0]=4 1322 B9R1.3 CC1=C(N)C(N)=NC=C1 HR106366 [0,1,0,0,0,1|2,0,0]=4 1323 B9R1.3 CC1=C(O)C(=O)C=CO1 CAJB01101 [0,1,0,0,0,1|2,0,0]=4 1324 B9R1.3 CC1=C(O)C(F)=NC=C1 HR155748 [0,1,0,0,0,1|2,0,0]=4 1325 B9R1.3 CC1=C(O)C(O)=CC=C1 HR124937 [0,1,0,0,0,1|2,0,0]=4 1326 B9R1.3 CC1=CC=CC(Br)=C1Cl HR34024 [0,1,0,0,0,1|2,0,0]=4 1327 B9R1.3 CC1=CC=CC(Br)=C1N HR117711 [0,1,0,0,0,1|2,0,0]=4 1328 B9R1.3 CC1=CC=CC(Br)=C1O HR102690 [0,1,0,0,0,1|2,0,0]=4 1329 B9R1.3 CC1=CC=CC(C)=C1Br HR101199 [0,1,0,0,0,1|1,0,0]=3 1330 B9R1.3 CC1=CC=CC(C)=C1Cl HR142380 [0,1,0,0,0,1|1,0,0]=3 1331 B9R1.3 CC1=CC=CC(C)=C1I HR108685 [0,1,0,0,0,1|1,0,0]=3 1332 B9R1.3 CC1=CC=CC(C)=C1N AMJB00602 [0,1,0,0,0,1|1,0,0]=3 1333 B9R1.3 CC1=CC=CC(C)=C1O HR147229 [0,1,0,0,0,1|1,0,0]=3 1334 B9R1.3 CC1=CC=CC(C)=C1S HR129260 [0,1,0,0,0,1|1,0,0]=3 1335 B9R1.3 CC1=CC=CC(C)=[N+]1[O-] HR136794 [0,1,0,0,0,1|1,0,0]=3 1336 B9R1.3 CC1=CC=CC(Cl)=C1Br HR32249 [0,1,0,0,0,1|2,0,0]=4 1337 B9R1.3 CC1=CC=CC(Cl)=C1Cl HR127284 [0,1,0,0,0,1|2,0,0]=4 1338 B9R1.3 CC1=CC=CC(Cl)=C1N HR130694 [0,1,0,0,0,1|2,0,0]=4 1339 B9R1.3 CC1=CC=CC(F)=C1C HR107039 [0,1,0,0,0,1|2,0,0]=4 1340 B9R1.3 CC1=CC=CC(F)=C1N HR4470 [0,1,0,0,0,1|2,0,0]=4 1341 B9R1.3 CC1=CC=CC(I)=C1C HR112829 [0,1,0,0,0,1|2,0,0]=4 1342 B9R1.3 CC1=CC=CC(I)=C1F HR113977 [0,1,0,0,0,1|2,0,0]=4 1343 B9R1.3 CC1=CC=CC(N)=C1Br HR115554 [0,1,0,0,0,1|2,0,0]=4 1344 B9R1.3 CC1=CC=CC(N)=C1F HR130894 [0,1,0,0,0,1|2,0,0]=4 1345 B9R1.3 CC1=CC=CC(N)=C1O HR131375 [0,1,0,0,0,1|2,0,0]=4 1346 B9R1.3 CC1=CC=CC(O)=C1Cl HR34010 [0,1,0,0,0,1|2,0,0]=4 1347 B9R1.3 CC1=CC=CC(O)=C1F HR4120 [0,1,0,0,0,1|2,0,0]=4 1348 B9R1.3 CC1=CC=CC(O)=C1I HR31960 [0,1,0,0,0,1|2,0,0]=4 1349 B9R1.3 CC1=CC=CC(O)=C1N HR139748 [0,1,0,0,0,1|2,0,0]=4 1350 B9R1.3 CC1=CC=CC(S)=C1C HR6883 [0,1,0,0,0,1|2,0,0]=4 1351 B9R1.3 CC1=CN=CC(Br)=C1C HR152569 [0,1,0,0,0,1|2,0,0]=4 1352 B9R1.3 CC1=CN=CC(Br)=C1N HR105739 [0,1,0,0,0,1|2,0,0]=4 1353 B9R1.3 CC1=CN=CC(C)=C1N HR109200 [0,1,0,0,0,1|1,0,0]=3 1354 B9R1.3 CC1=CN=CC(Cl)=C1N HR148533 [0,1,0,0,0,1|2,0,0]=4 1355 B9R1.3 CC1=CN=CC(F)=C1N HR115609 [0,1,0,0,0,1|2,0,0]=4 1356 B9R1.3 CC1=NC=CC(Br)=C1N HR137248 [0,1,0,0,0,1|2,0,0]=4 1357 B9R1.3 CC1=NC=CC(C)=C1Br HR30407 [0,1,0,0,0,1|1,0,0]=3 1358 B9R1.3 CC1=NC=CC(C)=C1N HR114285 [0,1,0,0,0,1|1,0,0]=3 1359 B9R1.3 CC1=NC=CC(Cl)=C1C HR32522 [0,1,0,0,0,1|2,0,0]=4 1360 B9R1.3 CC1=NC=CC(N)=C1C HR104547 [0,1,0,0,0,1|2,0,0]=4 1361 B9R1.3 CC1=NC=CC(N)=C1Cl HR104798 [0,1,0,0,0,1|2,0,0]=4 1362 B9R1.3 CC1=NC=CC(N)=C1N HR110376 [0,1,0,0,0,1|2,0,0]=4 1363 B9R1.3 CC1=NC=NC(C)=C1N HR147505 [0,1,0,0,0,1|2,0,0]=4 1364 B9R1.3 CC1=NC=NC(C)=C1O HR113004 [0,1,0,0,0,1|2,0,0]=4 1365 B9R1.3 CC1=[C]C=CC(Cl)=C1F HR155480 [0,1,0,0,0,1|2,0,0]=4 1366 B9R1.3 Cc1cccc(C)c1F HR135719 [0,1,0,0,0,1|1,0,0]=3 1367 B9R1.3 Cc1cccc(Cl)c1C HR112477 [0,1,0,0,0,1|2,0,0]=4 1368 B9R1.34 CC1=CC(=O)C=C(C)O1 HR130901 [0,1,0,0,0,1|0,0,0]=2 1369 B9R1.34 CC1=CC(=O)NC(=O)N1 HR138369 [0,1,0,0,0,1|2,0,0]=4 1370 B9R1.34 CC1=CC(=O)NC(=S)N1 HR123090 [0,1,0,0,0,1|2,0,0]=4 1371 B9R1.34 CC1=CC(=O)NC(C)=C1 HR31747 [0,1,0,0,0,1|1,0,0]=3 1372 B9R1.34 CC1=CC(=O)NC(O)=C1 HR107482 [0,1,0,0,0,1|2,0,0]=4 1373 B9R1.34 CC1=CC(=S)NC(=O)N1 HR115216 [0,1,0,0,0,1|2,0,0]=4 1374 B9R1.34 CC1=CC(Br)=CC(Br)=C1 HR136144 [0,1,0,0,0,1|2,0,0]=4 1375 B9R1.34 CC1=CC(Br)=CC(Br)=N1 HR30715 [0,1,0,0,0,1|2,0,0]=4 1376 B9R1.34 CC1=CC(Br)=CC(C)=N1 HR115742 [0,1,0,0,0,1|1,0,0]=3 1377 B9R1.34 CC1=CC(Br)=CC(Cl)=C1 HR32696 [0,1,0,0,0,1|2,0,0]=4 1378 B9R1.34 CC1=CC(Br)=CC(F)=C1 HR128264 [0,1,0,0,0,1|2,0,0]=4 1379 B9R1.34 CC1=CC(Br)=CC(N)=N1 HR118060 [0,1,0,0,0,1|2,0,0]=4 1380 B9R1.34 CC1=CC(Br)=NC(Br)=C1 HR147927 [0,1,0,0,0,1|2,0,0]=4 1381 B9R1.34 CC1=CC(Br)=NC(C)=C1 HR128572 [0,1,0,0,0,1|1,0,0]=3 1382 B9R1.34 CC1=CC(Br)=NC(C)=N1 HR113223 [0,1,0,0,0,1|1,0,0]=3 1383 B9R1.34 CC1=CC(Br)=NC(Cl)=C1 HR104265 [0,1,0,0,0,1|2,0,0]=4 1384 B9R1.34 CC1=CC(Br)=NC(F)=C1 HR117325 [0,1,0,0,0,1|2,0,0]=4 1385 B9R1.34 CC1=CC(Br)=NC(N)=N1 HR142029 [0,1,0,0,0,1|2,0,0]=4 1386 B9R1.34 CC1=CC(C)=CC(Br)=C1 HR136698 [0,1,0,0,0,1|1,0,0]=3 1387 B9R1.34 CC1=CC(C)=CC(Cl)=C1 HR110356 [0,1,0,0,0,1|1,0,0]=3 1388 B9R1.34 CC1=CC(C)=CC(I)=C1 HR116946 [0,1,0,0,0,1|1,0,0]=3 1389 B9R1.34 CC1=CC(C)=CC(S)=C1 HR144518 [0,1,0,0,0,1|1,0,0]=3 1390 B9R1.34 CC1=CC(C)=NC(C)=C1 HR124242 [0,1,0,0,0,1|1,0,0]=3 1391 B9R1.34 CC1=CC(C)=NC(Cl)=N1 HR30122 [0,1,0,0,0,1|2,0,0]=4 1392 B9R1.34 CC1=CC(C)=NC(N)=N1 HR137058 [0,1,0,0,0,1|2,0,0]=4 1393 B9R1.34 CC1=CC(C)=NC(O)=N1 HR135077 [0,1,0,0,0,1|2,0,0]=4 1394 B9R1.34 CC1=CC(C)=NC(S)=N1 HR136163 [0,1,0,0,0,1|2,0,0]=4 1395 B9R1.34 CC1=CC(Cl)=CC(C)=N1 HR112668 [0,1,0,0,0,1|1,0,0]=3 1396 B9R1.34 CC1=CC(Cl)=CC(Cl)=C1 HR31998 [0,1,0,0,0,1|2,0,0]=4 1397 B9R1.34 CC1=CC(Cl)=CC(Cl)=N1 HR136833 [0,1,0,0,0,1|2,0,0]=4 1398 B9R1.34 CC1=CC(Cl)=CC(N)=N1 HR116155 [0,1,0,0,0,1|2,0,0]=4 1399 B9R1.34 CC1=CC(Cl)=NC(C)=C1 HR3919 [0,1,0,0,0,1|1,0,0]=3 1400 B9R1.34 CC1=CC(Cl)=NC(C)=N1 HR144834 [0,1,0,0,0,1|1,0,0]=3 1401 B9R1.34 CC1=CC(Cl)=NC(Cl)=C1 HR5534 [0,1,0,0,0,1|2,0,0]=4 1402 B9R1.34 CC1=CC(Cl)=NC(Cl)=N1 HR123190 [0,1,0,0,0,1|2,0,0]=4 1403 B9R1.34 CC1=CC(Cl)=NC(N)=N1 HR133015 [0,1,0,0,0,1|2,0,0]=4 1404 B9R1.34 CC1=CC(F)=CC(F)=C1 HR132252 [0,1,0,0,0,1|2,0,0]=4 1405 B9R1.34 CC1=CC(I)=CC(F)=C1 HR114076 [0,1,0,0,0,1|2,0,0]=4 1406 B9R1.34 CC1=CC(I)=CC(F)=N1 HR148317 [0,1,0,0,0,1|2,0,0]=4 1407 B9R1.34 CC1=CC(N)=CC(Br)=C1 HR115603 [0,1,0,0,0,1|2,0,0]=4 1408 B9R1.34 CC1=CC(N)=CC(Br)=N1 HR30716 [0,1,0,0,0,1|2,0,0]=4 1409 B9R1.34 CC1=CC(N)=CC(C)=N1 HR117343 [0,1,0,0,0,1|1,0,0]=3 1410 B9R1.34 CC1=CC(N)=CC(Cl)=C1 HR142592 [0,1,0,0,0,1|2,0,0]=4 1411 B9R1.34 CC1=CC(N)=CC(Cl)=N1 HR30321 [0,1,0,0,0,1|2,0,0]=4 1412 B9R1.34 CC1=CC(N)=CC(F)=C1 HR1537 [0,1,0,0,0,1|2,0,0]=4 1413 B9R1.34 CC1=CC(N)=NC(C)=C1 HR135129 [0,1,0,0,0,1|1,0,0]=3 1414 B9R1.34 CC1=CC(N)=NC(C)=N1 HR135438 [0,1,0,0,0,1|1,0,0]=3 1415 B9R1.34 CC1=CC(N)=NC(Cl)=C1 HR147254 [0,1,0,0,0,1|2,0,0]=4 1416 B9R1.34 CC1=CC(N)=NC(Cl)=N1 HR114072 [0,1,0,0,0,1|2,0,0]=4 1417 B9R1.34 CC1=CC(N)=NC(N)=C1 HR105399 [0,1,0,0,0,1|2,0,0]=4 1418 B9R1.34 CC1=CC(N)=NC(N)=N1 HR148459 [0,1,0,0,0,1|2,0,0]=4 1419 B9R1.34 CC1=CC(O)=CC(Br)=C1 HR4137 [0,1,0,0,0,1|2,0,0]=4 1420 B9R1.34 CC1=CC(O)=CC(C)=N1 HR127510 [0,1,0,0,0,1|1,0,0]=3 1421 B9R1.34 CC1=CC(O)=CC(Cl)=C1 HR32695 [0,1,0,0,0,1|2,0,0]=4 1422 B9R1.34 CC1=CC(O)=CC(Cl)=N1 HR30623 [0,1,0,0,0,1|2,0,0]=4 1423 B9R1.34 CC1=CC(O)=CC(F)=C1 HR139881 [0,1,0,0,0,1|2,0,0]=4 1424 B9R1.34 CC1=CC(O)=CC(N)=C1 HR109574 [0,1,0,0,0,1|2,0,0]=4 1425 B9R1.34 CC1=CC(O)=CC(O)=C1 HR129647 [0,1,0,0,0,1|2,0,0]=4 1426 B9R1.34 CC1=CC(O)=CC(O)=N1 HR147218 [0,1,0,0,0,1|2,0,0]=4 1427 B9R1.34 CC1=CC(O)=CC(O)=N1 HR22295 [0,1,0,0,0,1|2,0,0]=4 1428 B9R1.34 CC1=CC(O)=NC(N)=N1 HR132752 [0,1,0,0,0,1|2,0,0]=4 1429 B9R1.34 CC1=NC(Br)=CC(N)=N1 HR148696 [0,1,0,0,0,1|2,0,0]=4 1430 B9R1.34 CC1=NC(C)=NC(O)=C1 HR128644 [0,1,0,0,0,1|1,0,0]=3 1431 B9R1.34 CC1=NC(Cl)=CC(Cl)=N1 HR7075 [0,1,0,0,0,1|2,0,0]=4 1432 B9R1.34 CC1=NC(Cl)=CC(N)=N1 HR121360 [0,1,0,0,0,1|2,0,0]=4 1433 B9R1.34 CC1=NC(I)=CC(I)=N1 HR147043 [0,1,0,0,0,1|2,0,0]=4 1434 B9R1.34 CC1=NC(O)=CC(O)=N1 HR138637 [0,1,0,0,0,1|2,0,0]=4 1435 B9R1.34 CC1=NC(O)=CC(O)=N1 HR146547 [0,1,0,0,0,1|2,0,0]=4 1436 B9R1.34 Cc1cc(C)cc(F)c1 HR135765 [0,1,0,0,0,1|1,0,0]=3 1437 B9R1.34 Cc1cc(N)cc(Br)c1 HR117875 [0,1,0,0,0,1|2,0,0]=4 1438 B9R1.34 Cc1cc(O)cc(=O)o1 HR125347 [0,1,0,0,0,1|1,0,0]=3 1439 B9R1.7 CNCC1=CSC(C)=N1 HR113933 [0,2,0,0,0,0|2,0,0]=4 1440 B9R1.7 CNCC1=NC(C)=CS1 HR102831 [0,2,0,0,0,0|2,0,0]=4 1441 B9R1.7 COCC1=CC=C(Br)S1 HR153353 [0,2,0,0,0,0|1,1,0]=4 1442 B9R1.7 NCCC1=CC=C(Br)S1 HR104636 [0,2,0,0,0,0|1,1,0]=4 1443 B9R1.7 NCCc1ccc(Cl)s1 HR120576 [0,2,0,0,0,0|1,1,0]=4 1444 B9R1.21 CCC1=CC=C(C=O)O1 HR139104 [0,2,0,0,0,0|0,0,1]=3 1445 B9R1.21 CCC1=CC=C(C=O)S1 HR108183 [0,2,0,0,0,0|0,1,1]=4 1446 B9R1.21 CCC1=CC=C(CC)S1 HR138839 [0,2,0,0,0,0|0,1,0]=3 1447 B9R1.21 COC1=CC=C(OC)O1 HR140929 [0,2,0,0,0,0|0,0,0]=2 1448 B9R1.21 COC1C=CC(OC)O1 HR137526 [0,2,0,0,0,0|0,0,2]=4 1449 B9R1.21 CSC1=CC=C(C=O)S1 HR116975 [0,2,0,0,0,0|0,1,1]=4 1450 B9R1.21 N#CC1=CC=C(CN)S1 HR103215 [0,2,0,0,0,0|0,1,1]=4 1451 B9R1.21 O=CC1=CC=C(C=O)O1 HR135279 [0,2,0,0,0,0|0,0,2]=4 1452 B9R1.21 O=CC1=CC=C(CCl)O1 HR104578 [0,2,0,0,0,0|0,0,1]=3 1453 B9R1.21 O=CC1=CC=C(CO)O1 HR127118 [0,2,0,0,0,0|0,0,1]=3 1454 B9R1.21 OCC1=CC=C(CO)O1 HR107797 [0,2,0,0,0,0|0,0,0]=2 1455 B9R1.22 CC1=C(CBr)OC(=O)O1 HR123437 [0,2,0,0,0,0|2,0,0]=4 1456 B9R1.22 CC1=C(CCl)OC(=O)O1 HR10542 [0,2,0,0,0,0|2,0,0]=4 1457 B9R1.22 CC1=C(CO)OC(=O)O1 HR141149 [0,2,0,0,0,0|2,0,0]=4 1458 B9R1.22 CC1=CC(C#N)=C(N)S1 HR135879 [0,2,0,0,0,0|1,1,0]=4 1459 B9R1.22 CC1=CC(C)=C(C=O)N1 HR127168 [0,2,0,0,0,0|1,0,1]=4 1460 B9R1.22 CC1=CC(C=O)=C(C)S1 HR102085 [0,2,0,0,0,0|0,1,0]=3 1461 B9R1.22 CC1=NC(C)=C(C=O)O1 HR106346 [0,2,0,0,0,0|1,0,1]=4 1462 B9R1.22 CC1=NC(C)=C(C=O)S1 HR110595 [0,2,0,0,0,0|2,0,0]=4 1463 B9R1.22 CC1=NC(C)=C(CN)S1 HR118653 [0,2,0,0,0,0|1,1,0]=4 1464 B9R1.22 CC1=NC(C)=C(CO)S1 HR118967 [0,2,0,0,0,0|1,1,0]=4 1465 B9R1.22 CC1=NN(C)C(CCl)=C1 HR107059 [0,2,0,0,0,0|2,0,0]=4 1466 B9R1.22 CC1=NN(C)C(CN)=C1 HR102157 [0,2,0,0,0,0|2,0,0]=4 1467 B9R1.22 CC1=NN(C)C(CO)=C1 HR103739 [0,2,0,0,0,0|2,0,0]=4 1468 B9R1.22 CC1=NN(C)C=C1C#N HR118681 [0,2,0,0,0,0|2,0,0]=4 1469 B9R1.22 CC1=NN(C)C=C1C=O HR108637 [0,2,0,0,0,0|2,0,0]=4 1470 B9R1.22 CC1=NN(C)C=C1CN HR109847 [0,2,0,0,0,0|2,0,0]=4 1471 B9R1.22 CCN1N=C(C)C=C1C HR142696 [0,2,0,0,0,0|2,0,0]=4 1472 B9R1.22 CN1C=C(Br)C(CCl)=N1 HR110544 [0,2,0,0,0,0|2,0,0]=4 1473 B9R1.22 Cc1nn(C)cc1CN HR107636 [0,2,0,0,0,0|2,0,0]=4 1474 B9R1.23 CC1=C(Br)C=C(C=O)S1 HR153180 [0,2,0,0,0,0|0,1,1]=4 1475 B9R1.23 CC1=CC(CO)=NN1C HR105922 [0,2,0,0,0,0|2,0,0]=4 1476 B9R1.23 CCC1=NC(C)=C(C)S1 HR142794 [0,2,0,0,0,0|1,1,0]=4 1477 B9R1.23 CNC1=NN(C)C(C)=C1 HR104569 [0,2,0,0,0,0|2,0,0]=4 1478 B9R1.23 O=CC1=CC(Br)=C(Br)O1 HR121297 [0,2,0,0,0,0|1,0,1]=4 1479 B9R1.35 CC(=O)C1=CC(C)=CS1 HR145098 [0,2,0,0,0,0|2,0,0]=4 1480 B9R1.35 CC(=O)C1=CC=C(Br)O1 HR119214 [0,2,0,0,0,0|1,0,0]=3 1481 B9R1.35 CC(=O)C1=CC=C(Br)S1 HR131579 [0,2,0,0,0,0|1,1,0]=4 1482 B9R1.35 CC(=O)C1=CC=C(C)S1 HR122220 [0,2,0,0,0,0|0,1,0]=3 1483 B9R1.35 CC(=O)C1=CC=C(Cl)S1 HR117664 [0,2,0,0,0,0|1,1,0]=4 1484 B9R1.35 CC(=O)C1=CC=C(Cl)S1 HR147236 [0,2,0,0,0,0|1,1,0]=4 1485 B9R1.35 CC(=O)C1=CSC(C)=N1 HR113169 [0,2,0,0,0,0|2,0,0]=4 1486 B9R1.35 CC1=CC=C(B(O)O)O1 HR109427 [0,2,0,0,0,0|1,0,0]=3 1487 B9R1.35 CC1=CC=C(B(O)O)S1 HR119689 [0,2,0,0,0,0|1,1,0]=4 1488 B9R1.35 CC1=CC=C(C(=O)Cl)O1 HR111826 [0,2,0,0,0,0|0,0,1]=3 1489 B9R1.35 CC1=CC=C(C(=O)O)O1 HR105468 [0,2,0,0,0,0|0,0,1]=3 1490 B9R1.35 CC1=CC=C(C(=O)O)S1 HR134654 [0,2,0,0,0,0|0,1,1]=4 1491 B9R1.35 CC1=CSC(C(C)C)=N1 HR138124 [0,2,0,0,0,0|2,0,0]=4 1492 B9R1.35 CC1=NC(C(C)N)=CS1 HR105834 [0,2,0,0,0,0|2,0,0]=4 1493 B9R1.35 O=C(Cl)C1=CC=C(Br)O1 HR10452 [0,2,0,0,0,0|1,0,1]=4 1494 B9R1.35 O=C(O)C1=CC=C(Cl)O1 HR109565 [0,2,0,0,0,0|1,0,1]=4 1495 B9R1.35 O=C(O)c1ccc(Br)o1 HR129600 [0,2,0,0,0,0|1,0,1]=4 1496 B9R1.37 CC1=C(C)C(=O)OC1=O HR110712 [0,2,0,0,0,0|2,0,0]=4 1497 B9R1.37 CC1=C(I)C(I)=C(I)S1 HR120693 [0,2,0,0,0,0|1,1,0]=4 1498 B9R1.37 CC1=C(O)C(=O)C(C)O1 HR128379 [0,2,0,0,0,0|0,0,1]=3 1499 B9R1.37 CC1=C(O)C(=O)OC1C HR132334 [0,2,0,0,0,0|1,0,1]=4 1500 B9R1.37 CC1=NN(C)C(C)=C1Br HR132789 [0,2,0,0,0,0|2,0,0]=4 1501 B9R1.37 CC1=NN(C)C(C)=C1I HR110024 [0,2,0,0,0,0|2,0,0]=4 1502 B9R1.37 O=C1OC(=O)C(Cl)=C1Cl HR128705 [0,2,0,0,0,0|2,0,0]=4 1503 B9R1.27 CCC1=C(C)NC=C1C HR128252 [0,2,0,0,0,0|2,0,0]=4 1504 B7R1.3 CC1=CC=CC=C1 HR141847 [0,0,1,1,0,0|1,0,1]=4 1505 B7R1.3 CC1=CC=NC=C1 ABXF00108 [0,0,1,1,0,0|2,0,0]=4 1506 B7R1.3 CC1=NC=CC=C1 HR147066 [0,0,1,1,0,0|1,0,1]=4 1507 B7R1.3 CC1=NC=NC=C1 HR134623 [0,0,1,1,0,0|2,0,0]=4 1508 B7R1.3 Cc1ccccn1 HR136839 [0,0,1,1,0,0|1,0,1]=4 1509 B5R0.5 C=C(C)C(=O)Cl HR138689 [0,0,1,0,1,0|2,0,0]=4 1510 B5R0.5 C=C(C)C(=O)[O-] HR113778 [0,0,1,0,1,0|2,0,0]=4 1511 B5R0.5 C=C(C)C(=O)[O-] HR114122 [0,0,1,0,1,0|2,0,0]=4 1512 B5R0.5 C=C(C)C(=O)[O-] HR121033 [0,0,1,0,1,0|2,0,0]=4 1513 B5R0.5 C=C(C)C(=O)[O-] HR122305 [0,0,1,0,1,0|2,0,0]=4 1514 B5R0.5 C=C(C)C(=O)[O-] HR125115 [0,0,1,0,1,0|2,0,0]=4 1515 B5R0.5 C=C(C)C(=O)[O-] HR135365 [0,0,1,0,1,0|2,0,0]=4 1516 B5R0.5 C=C(C)C(N)=O HR124465 [0,0,1,0,1,0|2,0,0]=4 1517 B5R0.5 CC(=O)C(C)=O HR147207 [0,0,1,0,1,0|2,0,0]=4 1518 B9R1.49 O=C1C=CC(=O)O[Fe]O1 HR131540 [0,0,0,0,0,2|2,0,0]=4 1519 B9R1.49 O=C1C=CC(=O)O[Mg]O1 HR101146 [0,0,0,0,0,2|2,0,0]=4