0 B9R1.8 BrCCC1=CC=CC=C1 AK-54085 [0,0,0,0,0,0|1,0,0]=1 1 B9R1.8 C1=C(C=CC=C1)CON AK-49180 [0,0,0,0,0,0|1,0,0]=1 2 B9R1.8 C1=C(CCN)N=CC=C1 AK-73075 [0,0,0,0,0,0|1,0,0]=1 3 B9R1.8 C1=C(CNN)C=CC=C1 AK-72938 [0,0,0,0,0,0|1,0,0]=1 4 B9R1.8 C1=C(N=CC=C1)COC AK-32294 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.8 C1=CC=NN=C1OCC AK-50551 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.8 CCCC1=CC=NC=C1 AK109267 [0,0,0,0,0,0|2,0,0]=2 7 B9R1.8 CCCC1=NC=CN=C1 AK305719 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.8 CCNC1=CC=CN=C1 AK126739 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.8 CCNC1=NC=CN=C1 AK159718 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.8 CCOC1=NC=CC=C1 AK-88755 [0,0,0,0,0,0|3,0,0]=3 11 B9R1.8 CCOC1=NN=CC=C1 AK-50365 [0,0,0,0,0,0|4,0,0]=4 12 B9R1.8 CNCC1=CC=CN=C1 AK-77094 [0,0,0,0,0,0|3,0,0]=3 13 B9R1.8 CNCC1=CC=NC=C1 AK-36140 [0,0,0,0,0,0|3,0,0]=3 14 B9R1.8 CNCC1=NC=CC=C1 AK-82805 [0,0,0,0,0,0|3,0,0]=3 15 B9R1.8 CNCC1=NC=CC=N1 AK-26868 [0,0,0,0,0,0|4,0,0]=4 16 B9R1.8 CNCC1=NC=CN=C1 AK-32984 [0,0,0,0,0,0|4,0,0]=4 17 B9R1.8 CNNC1=CC=CC=C1 AK119038 [0,0,0,0,0,0|3,0,0]=3 18 B9R1.8 N#CCC1=CC=CN=C1 AK-44402 [0,0,0,0,0,0|1,0,2]=3 19 B9R1.8 NCCC1=CC=CN=C1 AK-45879 [0,0,0,0,0,0|1,0,0]=1 20 B9R1.8 NNCC1=CC=CN=C1 AK-50063 [0,0,0,0,0,0|2,0,0]=2 21 B9R1.8 NOCC1=CC=CC=C1 AK-82317 [0,0,0,0,0,0|1,0,0]=1 22 B9R1.8 OCCC1=CN=CN=C1 AK-32465 [0,0,0,0,0,0|3,0,0]=3 23 B9R1.8 OCCC1=NC=CN=C1 AK-45393 [0,0,0,0,0,0|3,0,0]=3 24 B9R1.8 ONCC1=CC=CC=C1 AK-49662 [0,0,0,0,0,0|2,0,0]=2 25 B9R1.8 ONCC1=CC=CC=C1 AK110567 [0,0,0,0,0,0|2,0,0]=2 26 B8R1.2 BrCC1=CC=CN=C1 AK-44682 [1,0,0,0,0,0|2,0,0]=3 27 B8R1.2 BrCC1=CC=NC=C1 AK-40271 [1,0,0,0,0,0|2,0,0]=3 28 B8R1.2 BrCC1=CN=CN=C1 AK150782 [1,0,0,0,0,0|3,0,0]=4 29 B8R1.2 BrCC1=NC=CC=C1 AK-78919 [1,0,0,0,0,0|2,0,0]=3 30 B8R1.2 BrCC1=NC=CN=C1 AK143784 [1,0,0,0,0,0|3,0,0]=4 31 B8R1.2 BrCC1=NC=NC=C1 AK109329 [1,0,0,0,0,0|3,0,0]=4 32 B8R1.2 BrCC1=NN=CC=C1 AK-77169 [1,0,0,0,0,0|3,0,0]=4 33 B8R1.2 C#CC1=CC=CN=C1 AK-39524 [1,0,0,0,0,0|1,0,2]=4 34 B8R1.2 C#CC1=CC=NC=C1 AK-32285 [1,0,0,0,0,0|1,0,2]=4 35 B8R1.2 C#CC1=CC=NC=C1 AK-61719 [1,0,0,0,0,0|1,0,2]=4 36 B8R1.2 C1=C(N=CC=C1)C#C AK-39840 [1,0,0,0,0,0|1,0,2]=4 37 B8R1.2 C1=C(N=CC=N1)CN AK-23965 [1,0,0,0,0,0|2,0,0]=3 38 B8R1.2 C1=CN=CC=C1OC AK-54547 [1,0,0,0,0,0|2,0,0]=3 39 B8R1.2 C1=NC=C(N=C1)CO AK-45812 [1,0,0,0,0,0|3,0,0]=4 40 B8R1.2 CC[N+]1=CC=CC=C1 AK607939 [1,0,0,0,0,0|1,0,0]=2 41 B8R1.2 CNC1=CC=CN=C1 AK-72893 [1,0,0,0,0,0|2,0,0]=3 42 B8R1.2 CNC1=CC=NN=C1 AK545083 [1,0,0,0,0,0|3,0,0]=4 43 B8R1.2 CNC1=NC=CC=N1 AK-27708 [1,0,0,0,0,0|3,0,0]=4 44 B8R1.2 COC1=CC=CN=C1 AK-76565 [1,0,0,0,0,0|2,0,0]=3 45 B8R1.2 COC1=CC=CN=N1 AK-28954 [1,0,0,0,0,0|3,0,0]=4 46 B8R1.2 COC1=CN=CN=C1 AK-31068 [1,0,0,0,0,0|3,0,0]=4 47 B8R1.2 CSC1=NC=CN=C1 AK-41535 [1,0,0,0,0,0|3,0,0]=4 48 B8R1.2 ClCC1=NC=CC=N1 AK-29240 [1,0,0,0,0,0|3,0,0]=4 49 B8R1.2 ICC1=CC=CC=C1 AK-54444 [1,0,0,0,0,0|1,0,0]=2 50 B8R1.2 N#CC1=CC=CC=C1 AK-49389 [1,0,0,0,0,0|0,0,2]=3 51 B8R1.2 N#CC1=CC=NC=C1 AK-76782 [1,0,0,0,0,0|1,0,2]=4 52 B8R1.2 N#CC1=CN=CC=C1 AK-76753 [1,0,0,0,0,0|1,0,2]=4 53 B8R1.2 N#CC1=NC=CC=C1 AK-76752 [1,0,0,0,0,0|1,0,2]=4 54 B8R1.2 N1=C(N=CC=C1)CN AK-23656 [1,0,0,0,0,0|2,0,0]=3 55 B8R1.2 NCC1=CC=NC=C1 AK-25866 [1,0,0,0,0,0|1,0,0]=2 56 B8R1.2 NCC1=CC=NC=C1 AK-50006 [1,0,0,0,0,0|1,0,0]=2 57 B8R1.2 NCC1=CC=NN=C1 AK-23789 [1,0,0,0,0,0|2,0,0]=3 58 B8R1.2 NCC1=CN=CN=C1 AK164227 [1,0,0,0,0,0|2,0,0]=3 59 B8R1.2 NCC1=NC=CC=N1 AK-73144 [1,0,0,0,0,0|2,0,0]=3 60 B8R1.2 NCC1=NC=CN=C1 AK-50813 [1,0,0,0,0,0|2,0,0]=3 61 B8R1.2 NCC1=NC=NC=C1 AK-23966 [1,0,0,0,0,0|2,0,0]=3 62 B8R1.2 NNC1=CC=CC=C1 AK114548 [1,0,0,0,0,0|1,0,0]=2 63 B8R1.2 NNC1=CC=CN=C1 AK-40869 [1,0,0,0,0,0|2,0,0]=3 64 B8R1.2 NNC1=CC=CN=C1 AK-75799 [1,0,0,0,0,0|2,0,0]=3 65 B8R1.2 NNC1=CC=CN=N1 AK110987 [1,0,0,0,0,0|3,0,0]=4 66 B8R1.2 NNC1=CC=NC=C1 AK-51295 [1,0,0,0,0,0|2,0,0]=3 67 B8R1.2 NNC1=NC=CC=C1 AK-26026 [1,0,0,0,0,0|2,0,0]=3 68 B8R1.2 NNC1=NC=CC=N1 AK-81374 [1,0,0,0,0,0|3,0,0]=4 69 B8R1.2 NNC1=NC=CN=C1 AK-44383 [1,0,0,0,0,0|3,0,0]=4 70 B8R1.2 NOC1=CC=CC=C1 AK-77703 [1,0,0,0,0,0|1,0,0]=2 71 B8R1.2 O=CC1=CC=NC=C1 AK-50192 [1,0,0,0,0,0|2,0,1]=4 72 B8R1.2 OCC1=CC=CN=C1 AK-46173 [1,0,0,0,0,0|2,0,0]=3 73 B8R1.2 OCC1=CC=NC=C1 AK-44706 [1,0,0,0,0,0|2,0,0]=3 74 B8R1.2 OCC1=CC=NC=C1 AK175384 [1,0,0,0,0,0|2,0,0]=3 75 B8R1.2 OCC1=CN=CN=C1 AK-32022 [1,0,0,0,0,0|3,0,0]=4 76 B8R1.2 OCC1=NC=CC=C1 AK-53905 [1,0,0,0,0,0|2,0,0]=3 77 B8R1.2 OCC1=NC=CC=N1 AK-25156 [1,0,0,0,0,0|3,0,0]=4 78 B8R1.2 OCC1=NC=NC=C1 AK-31889 [1,0,0,0,0,0|3,0,0]=4 79 B8R1.2 ONC1=CC=CC=C1 AK139965 [1,0,0,0,0,0|2,0,0]=3 80 B10R1.1 BrC1=CC=C(C=C1)CC=O AK-25692 [0,1,0,0,0,0|1,0,1]=3 81 B10R1.1 BrC1=CN=C(C=C1)CC#N AK-34627 [0,1,0,0,0,0|1,0,2]=4 82 B10R1.1 C1=C(C=CC(=C1)Br)CCO AK-35260 [0,1,0,0,0,0|1,0,0]=2 83 B10R1.1 C1=C(C=CC(=C1)Br)CNC AK-16714 [0,1,0,0,0,0|2,0,0]=3 84 B10R1.1 C1=C(C=CC(=C1)Br)OCC AK-47317 [0,1,0,0,0,0|2,0,0]=3 85 B10R1.1 C1=C(C=CC(=C1)F)CC#N AK-46633 [0,1,0,0,0,0|0,0,2]=3 86 B10R1.1 C1=C(C=CC(=C1)O)CCN AK-47332 [0,1,0,0,0,0|0,0,0]=1 87 B10R1.1 C1=C(N=CC(=C1)Br)OCC AK-32436 [0,1,0,0,0,0|3,0,0]=4 88 B10R1.1 C1=CC(=CC=C1CC#N)C AK-46578 [0,1,0,0,0,0|0,0,2]=3 89 B10R1.1 C1=CC(=CC=C1CCO)I AK-40186 [0,1,0,0,0,0|1,0,0]=2 90 B10R1.1 C1=CC(=CC=C1CCO)O AK-35340 [0,1,0,0,0,0|1,0,0]=2 91 B10R1.1 C1=CC(=CC=C1CNC)Cl AK-16704 [0,1,0,0,0,0|2,0,0]=3 92 B10R1.1 CC1=CC=C(CCN)C=C1 AK-49684 [0,1,0,0,0,0|0,0,0]=1 93 B10R1.1 CCCC1=CC=C(Br)C=C1 AK-49955 [0,1,0,0,0,0|1,0,0]=2 94 B10R1.1 CCOC1=CC=C(I)C=C1 AK-46446 [0,1,0,0,0,0|2,0,0]=3 95 B10R1.1 CCOC1=CN=C(Br)C=C1 AK143369 [0,1,0,0,0,0|3,0,0]=4 96 B10R1.1 CCOC1=CN=C(Cl)C=C1 AK-88024 [0,1,0,0,0,0|3,0,0]=4 97 B10R1.1 CNCC1=CC=C(N)C=C1 AK-78884 [0,1,0,0,0,0|2,0,0]=3 98 B10R1.1 ClC1=CC=C(CCBr)C=C1 AK-35996 [0,1,0,0,0,0|1,0,0]=2 99 B10R1.1 ClC1=CC=C(CCN)C=C1 AK-72548 [0,1,0,0,0,0|0,0,0]=1 100 B10R1.1 ClC1=CC=C(CCO)C=C1 AK-86505 [0,1,0,0,0,0|1,0,0]=2 101 B10R1.1 ClC1=CN=C(CC#N)C=C1 AK-78582 [0,1,0,0,0,0|1,0,2]=4 102 B10R1.1 FC1=CC=C(C=C1)CCBr AK-42361 [0,1,0,0,0,0|1,0,0]=2 103 B10R1.1 FC1=CC=C(C=C1)NCC AK113245 [0,1,0,0,0,0|2,0,0]=3 104 B10R1.1 FC1=CC=C(CCO)C=C1 AK-51236 [0,1,0,0,0,0|1,0,0]=2 105 B10R1.1 IC1=CN=C(OCC)C=C1 AK144123 [0,1,0,0,0,0|3,0,0]=4 106 B10R1.1 N#CCC1=CC=C(I)C=C1 AK121967 [0,1,0,0,0,0|0,0,2]=3 107 B10R1.1 N#CCC1=CC=C(O)C=C1 AK-33252 [0,1,0,0,0,0|0,0,2]=3 108 B10R1.1 NC1=CC=C(CC#N)C=C1 AK100092 [0,1,0,0,0,0|0,0,2]=3 109 B10R1.1 NC1=CC=C(CCO)C=C1 AK-47701 [0,1,0,0,0,0|1,0,0]=2 110 B10R1.1 NC1=CC=C(COC)C=C1 AK-78891 [0,1,0,0,0,0|2,0,0]=3 111 B10R1.1 NC1=NC=C(OCC)C=C1 AK-54494 [0,1,0,0,0,0|3,0,0]=4 112 B10R1.1 NCCC1=CC=C(Br)C=C1 AK-50627 [0,1,0,0,0,0|0,0,0]=1 113 B10R1.1 NCCC1=CC=C(N)C=C1 AK-45820 [0,1,0,0,0,0|0,0,0]=1 114 B10R1.1 NNCC1=CC=C(Cl)C=C1 AK132927 [0,1,0,0,0,0|1,0,0]=2 115 B10R1.1 NNCC1=CC=C(F)C=C1 AK128817 [0,1,0,0,0,0|1,0,0]=2 116 B10R1.1 NOCC1=CC=C(F)C=C1 AK-86671 [0,1,0,0,0,0|1,0,0]=2 117 B10R1.1 OC1=CC=C(CCBr)C=C1 AK-59257 [0,1,0,0,0,0|1,0,0]=2 118 B10R1.1 OC1=CC=C(CCC)C=C1 AK164480 [0,1,0,0,0,0|1,0,0]=2 119 B10R1.1 OC1=CC=C(COC)C=C1 AK-42631 [0,1,0,0,0,0|2,0,0]=3 120 B10R1.1 OC1=CC=C(OCC)C=C1 AK163223 [0,1,0,0,0,0|2,0,0]=3 121 B10R1.1 OCCC1=CC=C(C)N=C1 AK-28132 [0,1,0,0,0,0|2,0,0]=3 122 B10R1.4 BrC1=CC=CC=C1CCO AK-70908 [0,1,0,0,0,0|1,0,0]=2 123 B10R1.4 C1=C(C(=CC=C1)CC#N)Br AK-45669 [0,1,0,0,0,0|0,0,2]=3 124 B10R1.4 CC1=CC=CC=C1CCO AK117334 [0,1,0,0,0,0|1,0,0]=2 125 B10R1.4 CC1=CC=CC=C1CNC AK-89673 [0,1,0,0,0,0|2,0,0]=3 126 B10R1.4 CCOC1=C(N)C=CN=C1 AK100670 [0,1,0,0,0,0|3,0,0]=4 127 B10R1.4 CCOC1=NC=CC=C1Br AK-45982 [0,1,0,0,0,0|3,0,0]=4 128 B10R1.4 CNCC1=CC=CC=C1Br AK-16712 [0,1,0,0,0,0|2,0,0]=3 129 B10R1.4 CNCC1=CC=CC=C1F AK-16716 [0,1,0,0,0,0|2,0,0]=3 130 B10R1.4 ClC1=CC=CC=C1CCO AK-45697 [0,1,0,0,0,0|1,0,0]=2 131 B10R1.4 ClC1=NC=CC=C1CC#N AK-46598 [0,1,0,0,0,0|1,0,2]=4 132 B10R1.4 FC1=CC=CC=C1CCN AK-98141 [0,1,0,0,0,0|0,0,0]=1 133 B10R1.4 N#CCC1=C(Br)C=NC=C1 AK151742 [0,1,0,0,0,0|1,0,2]=4 134 B10R1.4 N#CCC1=CC=CC=C1F AK-48152 [0,1,0,0,0,0|0,0,2]=3 135 B10R1.4 N#CCC1=CC=CC=C1N AK-88479 [0,1,0,0,0,0|0,0,2]=3 136 B10R1.4 N#CCC1=CC=CN=C1Br AK151744 [0,1,0,0,0,0|1,0,2]=4 137 B10R1.4 N#CCC1=NC=CC=C1Br AK131427 [0,1,0,0,0,0|1,0,2]=4 138 B10R1.4 N#CCC1=NC=CC=C1F AK131439 [0,1,0,0,0,0|1,0,2]=4 139 B10R1.4 NC1=C(OCC)C=CN=C1 AK-59659 [0,1,0,0,0,0|3,0,0]=4 140 B10R1.4 NC1=CC=CC=C1CCN AK-88349 [0,1,0,0,0,0|0,0,0]=1 141 B10R1.4 NCCC1=C(Cl)C=CC=C1 AK-57465 [0,1,0,0,0,0|0,0,0]=1 142 B10R1.4 NCCC1=CC=CC=C1Br AK-47292 [0,1,0,0,0,0|0,0,0]=1 143 B10R1.4 NNCC1=CC=CC=C1F AK-35444 [0,1,0,0,0,0|1,0,0]=2 144 B10R1.4 NOCC1=CC=CC=C1F AK-69176 [0,1,0,0,0,0|1,0,0]=2 145 B10R1.4 O=C1C(OCC)=CC=CN1 AK130647 [0,1,0,0,0,0|3,0,0]=4 146 B10R1.4 OC1=CC=CC=C1CCN AK114741 [0,1,0,0,0,0|0,0,0]=1 147 B10R1.4 OC1=CC=CC=C1COC AK151421 [0,1,0,0,0,0|2,0,0]=3 148 B10R1.4 OC1=CC=CC=C1OCC AK-94233 [0,1,0,0,0,0|2,0,0]=3 149 B10R1.4 OCCC1=CC=CC=C1I AK149280 [0,1,0,0,0,0|1,0,0]=2 150 B10R1.4 OCCC1=CC=CC=C1N AK-35531 [0,1,0,0,0,0|1,0,0]=2 151 B10R1.10 BrC1=CC(CCO)=CC=C1 AK-40057 [0,1,0,0,0,0|1,0,0]=2 152 B10R1.10 BrCCC1=CC(Br)=CC=C1 AK142066 [0,1,0,0,0,0|1,0,0]=2 153 B10R1.10 C1=C(C=CC=C1Cl)CCO AK-46667 [0,1,0,0,0,0|1,0,0]=2 154 B10R1.10 C1=C(C=CC=C1F)CNC AK-16717 [0,1,0,0,0,0|2,0,0]=3 155 B10R1.10 CC1=CC(CCCl)=CC=C1 AK162876 [0,1,0,0,0,0|1,0,0]=2 156 B10R1.10 CC1=CC(CNC)=CC=C1 AK-89676 [0,1,0,0,0,0|2,0,0]=3 157 B10R1.10 CC1=CC=CC(CCO)=C1 AK-87226 [0,1,0,0,0,0|1,0,0]=2 158 B10R1.10 CCOC1=CC(Br)=NC=C1 AK146932 [0,1,0,0,0,0|3,0,0]=4 159 B10R1.10 CCOC1=CC(Cl)=NC=C1 AK114104 [0,1,0,0,0,0|3,0,0]=4 160 B10R1.10 CCOC1=CC(F)=CC=C1 AK-61826 [0,1,0,0,0,0|2,0,0]=3 161 B10R1.10 CCOC1=CC=CC(Br)=C1 AK-44617 [0,1,0,0,0,0|2,0,0]=3 162 B10R1.10 CCOC1=CN=CC(N)=C1 AK100109 [0,1,0,0,0,0|3,0,0]=4 163 B10R1.10 CCOC1=NC=CC(Br)=C1 AK129551 [0,1,0,0,0,0|3,0,0]=4 164 B10R1.10 CNCC1=CC(=CN=C1)Br AK-50635 [0,1,0,0,0,0|3,0,0]=4 165 B10R1.10 CNCC1=CC(Cl)=CC=C1 AK-76864 [0,1,0,0,0,0|2,0,0]=3 166 B10R1.10 CNCC1=CC=CC(Br)=C1 AK-16713 [0,1,0,0,0,0|2,0,0]=3 167 B10R1.10 FC1=NC=CC(OCC)=C1 AK-64190 [0,1,0,0,0,0|3,0,0]=4 168 B10R1.10 N#CCC1=CC=CC(F)=C1 AK-27132 [0,1,0,0,0,0|0,0,2]=3 169 B10R1.10 N#CCC1=CC=CC(N)=C1 AK-76735 [0,1,0,0,0,0|0,0,2]=3 170 B10R1.10 NC1=CC(=NC=C1)NCC AK-47602 [0,1,0,0,0,0|3,0,0]=4 171 B10R1.10 NC1=CC=CC(CNC)=C1 AK-93009 [0,1,0,0,0,0|2,0,0]=3 172 B10R1.10 NCCC1=CC=CC(Br)=C1 AK-44011 [0,1,0,0,0,0|0,0,0]=1 173 B10R1.10 NCCC1=CC=CC(Cl)=C1 AK-57464 [0,1,0,0,0,0|0,0,0]=1 174 B10R1.10 NCCC1=CC=CC(F)=C1 AK-41691 [0,1,0,0,0,0|0,0,0]=1 175 B10R1.10 NNCC1=CC=CC(Cl)=C1 AK163398 [0,1,0,0,0,0|1,0,0]=2 176 B10R1.10 OC1=CC=CC(CCN)=C1 AK-41280 [0,1,0,0,0,0|0,0,0]=1 177 B10R1.10 OCCC1=CC(F)=CC=C1 AK111050 [0,1,0,0,0,0|1,0,0]=2 178 B10R1.10 OCCC1=NC(Br)=CC=C1 AK-57002 [0,1,0,0,0,0|2,0,0]=3 179 B10R1.15 CC(C1=CC=CC=C1)CN AK-67959 [0,1,0,0,0,0|0,0,0]=1 180 B10R1.15 CC[C@@H](C1=NC=CC=C1)N AK544238 [0,1,0,0,0,0|2,0,0]=3 181 B10R1.15 CC[C@H](C1=NC=CC=C1)N AK668420 [0,1,0,0,0,0|2,0,0]=3 182 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 AK-47624 [0,1,0,0,0,0|0,0,0]=1 183 B10R1.15 C[C@@H](NC)C1=CC=CC=C1 AK140531 [0,1,0,0,0,0|2,0,0]=3 184 B10R1.15 ClC(C=C)C1=CC=CC=C1 AK173991 [0,1,0,0,0,0|1,0,1]=3 185 B10R1.15 FC(C1=CC=CC=C1)CBr AK-93540 [0,1,0,0,0,0|1,0,0]=2 186 B10R1.15 NCC(C1=CC=CC=C1)=O AK-26107 [0,1,0,0,0,0|0,0,1]=2 187 B10R1.15 NCC(O)C1=NC=CC=C1 AK157200 [0,1,0,0,0,0|1,0,0]=2 188 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 AK-45230 [0,1,0,0,0,0|0,0,0]=1 189 B10R1.15 NC[C@@H](O)C1=CC=CN=C1 AK-96401 [0,1,0,0,0,0|1,0,0]=2 190 B10R1.15 NNC(=O)C1=CC=NC=C1 AK-46317 [0,1,0,0,0,0|2,0,1]=4 191 B10R1.15 NNC(C1=CC=CN=C1)=O AK-44810 [0,1,0,0,0,0|2,0,1]=4 192 B10R1.15 N[C@H](C1=CC=CC=C1)CO AK-41249 [0,1,0,0,0,0|1,0,0]=2 193 B10R1.15 O=C(C1=NC=CC=C1)CBr AK-44981 [0,1,0,0,0,0|2,0,1]=4 194 B10R1.15 O=C(NC)C1=CC=CC=C1 AK323662 [0,1,0,0,0,0|2,0,1]=4 195 B10R1.15 O=C(NN)C1=NC=CC=C1 AK117449 [0,1,0,0,0,0|2,0,1]=4 196 B10R1.15 O=CN(C)C1=CC=CC=C1 AK-48601 [0,1,0,0,0,0|2,0,1]=4 197 B10R1.15 O=S(C1=CC=CC=C1)OC AK109245 [0,1,0,0,0,0|3,0,0]=4 198 B10R1.15 OC(C1=CC=CC=C1)CBr AK-76552 [0,1,0,0,0,0|1,0,0]=2 199 B10R1.15 OC(C1=CC=CC=C1)CO AK117070 [0,1,0,0,0,0|1,0,0]=2 200 B10R1.15 OCC(=O)C1=CC=CC=C1 AK-94786 [0,1,0,0,0,0|1,0,1]=3 201 B10R1.15 OCC(N)C1=CC=CC=C1 AK-47370 [0,1,0,0,0,0|1,0,0]=2 202 B10R1.15 O[C@@H](C1=CC=CC=C1)CO AK-45210 [0,1,0,0,0,0|1,0,0]=2 203 B10R1.15 O[C@H](C1=CC=CC=C1)CO AK-33573 [0,1,0,0,0,0|1,0,0]=2 204 B10R1.15 [C@H](N)(C1=CC=CC=C1)CO AK-41260 [0,1,0,0,0,0|1,0,0]=2 205 B10R1.17 BrCCOC1=CC=CC=C1 AK-88423 [0,1,0,0,0,0|1,0,0]=2 206 B10R1.17 C1=C(C=CC=C1)C#CC=O AK-68235 [0,1,0,0,0,0|1,0,2]=4 207 B10R1.17 C=CCOC1=CC=CC=C1 AK116728 [0,1,0,0,0,0|1,0,1]=3 208 B10R1.17 CCCC[N+]1=CC=CC=C1 AK107641 [0,1,0,0,0,0|2,0,0]=3 209 B10R1.17 CCCC[N+]1=CC=CC=C1 AK676172 [0,1,0,0,0,0|2,0,0]=3 210 B10R1.17 CCCOC1=CC=CC=C1 AK544046 [0,1,0,0,0,0|1,0,0]=2 211 B10R1.17 CCNCC1=CC=NC=C1 AK-48167 [0,1,0,0,0,0|2,0,0]=3 212 B10R1.17 CCNCC1=NC=CC=C1 AK-82541 [0,1,0,0,0,0|2,0,0]=3 213 B10R1.17 CNCCC1=CC=CN=C1 AK-33941 [0,1,0,0,0,0|1,0,0]=2 214 B10R1.17 CNCCC1=NC=CC=C1 AK163686 [0,1,0,0,0,0|1,0,0]=2 215 B10R1.17 ClCCOC1=CC=CC=C1 AK113619 [0,1,0,0,0,0|1,0,0]=2 216 B10R1.17 N#CC#CC1=CC=CC=C1 AK-88636 [0,1,0,0,0,0|0,0,3]=4 217 B10R1.17 N#CCNC1=CC=CC=C1 AK109260 [0,1,0,0,0,0|0,0,2]=3 218 B10R1.17 N#C\C=C\C1=CC=CC=C1 AK208737 [0,1,0,0,0,0|0,0,3]=4 219 B10R1.17 NCCCC1=CC=NC=C1 AK-81582 [0,1,0,0,0,0|1,0,0]=2 220 B10R1.17 NCCNC1=NC=CC=N1 AK-58765 [0,1,0,0,0,0|2,0,0]=3 221 B10R1.17 NCCOC1=CC=CN=C1 AK108382 [0,1,0,0,0,0|1,0,0]=2 222 B10R1.17 NCCOC1=CC=NC=C1 AK158871 [0,1,0,0,0,0|1,0,0]=2 223 B10R1.17 NCCOC1=NC=CC=C1 AK-86743 [0,1,0,0,0,0|1,0,0]=2 224 B10R1.17 NOCCC1=CC=CC=C1 AK-58452 [0,1,0,0,0,0|0,0,0]=1 225 B10R1.17 O=CCCC1=CC=CC=C1 AK-41238 [0,1,0,0,0,0|1,0,0]=2 226 B10R1.17 O=CCOC1=CC=CC=C1 AK-92294 [0,1,0,0,0,0|1,0,1]=3 227 B10R1.17 O=COCC1=CC=CC=C1 AK113965 [0,1,0,0,0,0|1,0,1]=3 228 B10R1.17 O=C\C=C\C1=CC=CC=C1 AK-77787 [0,1,0,0,0,0|1,0,2]=4 229 B10R1.17 OCC#CC1=CC=CC=C1 AK106192 [0,1,0,0,0,0|1,0,1]=3 230 B10R1.17 OCCCC1=CC=CC=C1 AK114527 [0,1,0,0,0,0|1,0,0]=2 231 B10R1.17 OCCCC1=CC=NC=C1 AK-73053 [0,1,0,0,0,0|2,0,0]=3 232 B10R1.17 OCCCC1=NC=CC=C1 AK-82450 [0,1,0,0,0,0|2,0,0]=3 233 B10R1.17 OCCSC1=NC=CC=C1 AK387693 [0,1,0,0,0,0|2,0,0]=3 234 B10R1.17 OC\C=C\C1=CC=CN=C1 AK146726 [0,1,0,0,0,0|2,0,1]=4 235 B10R1.17 [NH]CCOC1=CC=CC=C1 AK-46660 [0,1,0,0,0,0|0,0,1]=2 236 B10R1.18 C1=C(C=CN=C1)CC(C)=O AK-47657 [0,1,0,0,0,0|2,0,1]=4 237 B10R1.18 C1=C(C=CN=C1)CC(O)=O AK-45111 [0,1,0,0,0,0|2,0,1]=4 238 B10R1.18 C1=NC=CC=C1CC(O)=O AK-26036 [0,1,0,0,0,0|2,0,1]=4 239 B10R1.18 CC(C)OC1=CC=CC=C1 AK110874 [0,1,0,0,0,0|2,0,0]=3 240 B10R1.18 CC(CC1=NC=CC=C1)=O AK-32596 [0,1,0,0,0,0|2,0,1]=4 241 B10R1.18 CC(OC1=CC=CN=C1)C AK167273 [0,1,0,0,0,0|3,0,0]=4 242 B10R1.18 CC(OC1=NC=CC=C1)C AK-47912 [0,1,0,0,0,0|3,0,0]=4 243 B10R1.18 C\C(C)=C/C1=CC=CC=C1 AK113914 [0,1,0,0,0,0|1,0,2]=4 244 B10R1.18 FC(F)OC1=CC=CC=C1 AK161726 [0,1,0,0,0,0|2,0,0]=3 245 B10R1.18 N=C(N)CC1=CC=CC=C1 AK-77604 [0,1,0,0,0,0|0,0,1]=2 246 B10R1.18 NC(NC1=CC=CC=C1)=N AK117130 [0,1,0,0,0,0|1,0,1]=3 247 B10R1.18 O=C(N)CC1=CC=CC=C1 AK-45803 [0,1,0,0,0,0|0,0,1]=2 248 B10R1.18 O=C(N)CC1=CC=CN=C1 AK-81612 [0,1,0,0,0,0|1,0,1]=3 249 B10R1.18 O=C(N)CC1=NC=CC=N1 AK133068 [0,1,0,0,0,0|2,0,1]=4 250 B10R1.18 O=C(O)CC1=CC=CN=C1 AK-26773 [0,1,0,0,0,0|2,0,1]=4 251 B10R1.18 OC(=N)NC1=CC=CC=C1 AK-65147 [0,1,0,0,0,0|1,0,2]=4 252 B10R1.18 OC(=O)CC1=CC=CC=N1 AK-45110 [0,1,0,0,0,0|2,0,1]=4 253 B10R1.18 S=C(Cl)OC1=CC=CC=C1 AK163079 [0,1,0,0,0,0|2,0,1]=4 254 B10R1.18 S=C(N)NC1=CC=CC=C1 AK305328 [0,1,0,0,0,0|1,0,1]=3 255 B10R1.18 S=C(N)NC1=NC=CC=C1 AK158972 [0,1,0,0,0,0|2,0,1]=4 256 B8R0.4 CCC\C=C\C=C\C=O AK-88482 [0,0,1,0,0,0|2,0,0]=3 257 B10R2.7 C12=C(CNC1)C=CC=C2 AK-46308 [0,0,0,1,0,0|2,0,0]=3 258 B10R2.7 C12=C(NCC1)C=CC=C2 AK-49832 [0,0,0,1,0,0|0,0,0]=1 259 B10R2.7 C12=C(NN=C1)C=CC=C2 AK-49124 [0,0,0,1,0,0|1,0,1]=3 260 B10R2.7 C12=C(NN=C1)C=CN=C2 AK-54963 [0,0,0,1,0,0|2,0,1]=4 261 B10R2.7 C12=CC=CC=C1N=CN2 AK109037 [0,0,0,1,0,0|1,0,1]=3 262 B10R2.7 C12=CC=CC=C1OCO2 AK-48090 [0,0,0,1,0,0|2,0,0]=3 263 B10R2.7 C12=NC=CC=C1C=CN2 AK-26735 [0,0,0,1,0,0|1,0,2]=4 264 B10R2.7 C12=NC=CC=C1C=NN2 AK-32129 [0,0,0,1,0,0|2,0,1]=4 265 B10R2.7 C12=NC=CC=C1CCN2 AK-23969 [0,0,0,1,0,0|1,0,0]=2 266 B10R2.7 C12=NC=CC=C1CNC2 AK-27514 [0,0,0,1,0,0|3,0,0]=4 267 B10R2.7 C12=NC=CC=C1NN=C2 AK-30497 [0,0,0,1,0,0|2,0,1]=4 268 B10R2.7 C1=CC2=C(N=C1)C=C[NH]2 AK-29974 [0,0,0,1,0,0|1,0,2]=4 269 B10R2.7 C1=CC=CC2=C1CCO2 AK-35322 [0,0,0,1,0,0|1,0,0]=2 270 B10R2.7 C1=CC=CC2=C1N=CO2 AK-47416 [0,0,0,1,0,0|1,0,2]=4 271 B10R2.7 C1=CC=CC2=NSN=C12 AK-46656 [0,0,0,1,0,0|2,0,1]=4 272 B10R2.7 C1=CSC2=C1C=CC=C2 AK-44148 [0,0,0,1,0,0|1,0,2]=4 273 B10R2.7 C1=C[NH]C2=C1C=CN=C2 AK-21984 [0,0,0,1,0,0|1,0,2]=4 274 B10R2.7 C1=C[NH]C2=C1C=NC=C2 AK-29973 [0,0,0,1,0,0|1,0,2]=4 275 B10R2.7 C1NCC2=C1C=CN=C2 AK-49968 [0,0,0,1,0,0|3,0,0]=4 276 B10R2.7 C=12CNCC1C=CN=C2 AK-27368 [0,0,0,1,0,0|3,0,0]=4 277 B10R2.7 C=12NC=NC1C=CN=C2 AK-63980 [0,0,0,1,0,0|2,0,1]=4 278 B10R2.7 C=12NCCC1C=CN=C2 AK-76917 [0,0,0,1,0,0|1,0,0]=2 279 B10R2.7 C=12NCCC1C=CN=C2 AK138671 [0,0,0,1,0,0|1,0,0]=2 280 B10R2.7 C=12NN=CC1C=CN=C2 AK-34469 [0,0,0,1,0,0|2,0,1]=4 281 B10R2.7 N1N=NC2=C1C=CC=C2 AK-44446 [0,0,0,1,0,0|2,0,0]=3 282 B10R2.7 O1N=C2C=CC=CC2=N1 AK-34472 [0,0,0,1,0,0|2,0,1]=4 283 B10R2.320 BrC1C2=CC=CC=C2C1 AK163275 [0,0,0,1,0,0|1,0,0]=2 284 B10R2.320 C1=CC=CC2=C1CC2=O AK-72898 [0,0,0,1,0,0|1,0,1]=3 285 B8R1.8 C1=CN=C(CCC)[NH]1 AK-49074 [0,0,0,0,1,0|3,0,0]=4 286 B8R1.8 CCCC1=NC=CS1 AK-60893 [0,0,0,0,1,0|3,0,0]=4 287 B8R1.8 CCCN1C=CN=C1 AK111106 [0,0,0,0,1,0|3,0,0]=4 288 B8R1.8 CNCC1=CC=CS1 AK-16718 [0,0,0,0,1,0|3,0,0]=4 289 B8R1.8 CNCC1=CSC=C1 AK-49561 [0,0,0,0,1,0|3,0,0]=4 290 B8R1.8 ClCCC1=CN=CN1 AK-40927 [0,0,0,0,1,0|3,0,0]=4 291 B8R1.8 N#CCC1=CC=CS1 AK-93470 [0,0,0,0,1,0|1,0,2]=4 292 B8R1.8 N#CCC1=CSC=C1 AK-58785 [0,0,0,0,1,0|1,0,2]=4 293 B8R1.8 NCCC1=CC=CS1 AK-44822 [0,0,0,0,1,0|1,0,0]=2 294 B8R1.8 NCCC1=CN=CS1 AK140134 [0,0,0,0,1,0|2,0,0]=3 295 B8R1.8 NCCC1=CNC=N1 AK-29414 [0,0,0,0,1,0|2,0,0]=3 296 B8R1.8 NCCC1=CSC=C1 AK-28310 [0,0,0,0,1,0|1,0,0]=2 297 B8R1.8 NCCC1=CSC=C1 AK-49962 [0,0,0,0,1,0|1,0,0]=2 298 B8R1.8 NCCC1=NC=CN1 AK170004 [0,0,0,0,1,0|2,0,0]=3 299 B8R1.8 NCCN1C=CC=C1 AK-34573 [0,0,0,0,1,0|1,0,0]=2 300 B8R1.8 NCCN1C=CN=C1 AK-26623 [0,0,0,0,1,0|2,0,0]=3 301 B8R1.8 NCCN1C=CN=C1 AK-33443 [0,0,0,0,1,0|2,0,0]=3 302 B8R1.8 OCCC1=CC=CS1 AK-43981 [0,0,0,0,1,0|2,0,0]=3 303 B8R1.8 OCCC1=CN=CN1 AK144733 [0,0,0,0,1,0|3,0,0]=4 304 B8R1.8 OCCC1=CSC=C1 AK-68259 [0,0,0,0,1,0|2,0,0]=3 305 B8R1.8 OCCN1C=CN=C1 AK-63425 [0,0,0,0,1,0|3,0,0]=4 306 B8R1.8 [NH]1C=C(C=N1)CCO AK-33792 [0,0,0,0,1,0|3,0,0]=4 307 B7R1.3 BrC1=CC=NC=C1 AK-47562 [2,0,0,0,0,0|2,0,0]=4 308 B7R1.3 C1=C(C)C=NC=N1 AK-30562 [2,0,0,0,0,0|2,0,0]=4 309 B7R1.3 C1=C(C)C=NN=C1 AK-30760 [2,0,0,0,0,0|2,0,0]=4 310 B7R1.3 C1=C(C=NC=N1)N AK-23967 [2,0,0,0,0,0|2,0,0]=4 311 B7R1.3 C1=C(C=NN=C1)N AK-23741 [2,0,0,0,0,0|2,0,0]=4 312 B7R1.3 C1=C(Cl)C=CN=C1 AK-50078 [2,0,0,0,0,0|2,0,0]=4 313 B7R1.3 C1=CC=NN=C1N AK-21777 [2,0,0,0,0,0|2,0,0]=4 314 B7R1.3 C1=CC=NN=C1N AK-23968 [2,0,0,0,0,0|2,0,0]=4 315 B7R1.3 C1=CN=CN=C1N AK-24798 [2,0,0,0,0,0|2,0,0]=4 316 B7R1.3 CC1=CN=CC=N1 AK-88672 [2,0,0,0,0,0|2,0,0]=4 317 B7R1.3 CC1=NC=NC=C1 AK-34763 [2,0,0,0,0,0|2,0,0]=4 318 B7R1.3 FC1=CC=NC=C1 AK-61793 [2,0,0,0,0,0|2,0,0]=4 319 B7R1.3 IC1=CC=CC=C1 AK-88660 [2,0,0,0,0,0|1,0,0]=3 320 B7R1.3 IC1=CC=CN=C1 AK-46371 [2,0,0,0,0,0|2,0,0]=4 321 B7R1.3 IC1=CC=NC=C1 AK-47904 [2,0,0,0,0,0|2,0,0]=4 322 B7R1.3 IC1=NC=CC=C1 AK-43060 [2,0,0,0,0,0|2,0,0]=4 323 B7R1.3 NC1=CC=NN=C1 AK170584 [2,0,0,0,0,0|2,0,0]=4 324 B7R1.3 NC1=NC=CC=N1 AK-72832 [2,0,0,0,0,0|2,0,0]=4 325 B7R1.3 NC1=NC=CN=C1 AK-24896 [2,0,0,0,0,0|2,0,0]=4 326 B7R1.3 O=C1C=COC=C1 AK110934 [2,0,0,0,0,0|2,0,0]=4 327 B7R1.3 OC1=CC=CN=C1 AK-44238 [2,0,0,0,0,0|2,0,0]=4 328 B7R1.3 OC1=CC=NC=C1 AK110406 [2,0,0,0,0,0|2,0,0]=4 329 B7R1.3 [S-]C1=CC=CC=C1 AK316593 [2,0,0,0,0,0|1,0,0]=3 330 B9R1.1 BrC1=CN=C(C=C1)CC AK-34965 [1,1,0,0,0,0|1,0,0]=3 331 B9R1.1 BrC1=CN=C(C=C1)NC AK-46585 [1,1,0,0,0,0|2,0,0]=4 332 B9R1.1 BrC1=NC=C(C=C1)OC AK-25274 [1,1,0,0,0,0|2,0,0]=4 333 B9R1.1 BrCC1=CN=C(C=C1)Cl AK-28919 [1,1,0,0,0,0|2,0,0]=4 334 B9R1.1 C1=C(C=CC(=C1)Br)C#C AK-39898 [1,1,0,0,0,0|0,0,2]=4 335 B9R1.1 C1=C(C=CC(=C1)CN)O AK-47356 [1,1,0,0,0,0|0,0,0]=2 336 B9R1.1 C1=C(C=CC(=C1)F)C#N AK-44484 [1,1,0,0,0,0|0,0,2]=4 337 B9R1.1 C1=C(C=CC(=C1)I)C=O AK-75599 [1,1,0,0,0,0|1,0,1]=4 338 B9R1.1 C1=C(C=NC(=C1)CO)Br AK-26386 [1,1,0,0,0,0|2,0,0]=4 339 B9R1.1 C1=C(NN)C=CC(=C1)C AK-47398 [1,1,0,0,0,0|1,0,0]=3 340 B9R1.1 C1=CC(=CC=C1Br)CC AK-47528 [1,1,0,0,0,0|0,0,0]=2 341 B9R1.1 C1=CC(=CC=C1CO)O AK-47325 [1,1,0,0,0,0|1,0,0]=3 342 B9R1.1 C1=CC(=CC=C1I)NC AK-39846 [1,1,0,0,0,0|1,0,0]=3 343 B9R1.1 C1=CC(=CN=C1OC)Br AK-32435 [1,1,0,0,0,0|2,0,0]=4 344 B9R1.1 C1=CC(=CN=C1OC)N AK-24754 [1,1,0,0,0,0|2,0,0]=4 345 B9R1.1 C1=CC(=NC=C1CO)Cl AK-28987 [1,1,0,0,0,0|2,0,0]=4 346 B9R1.1 CC1=CC=C(C=O)C=C1 AK-65210 [1,1,0,0,0,0|1,0,1]=4 347 B9R1.1 CC1=CC=C(CO)C=N1 AK-78311 [1,1,0,0,0,0|2,0,0]=4 348 B9R1.1 CC1=CN=C(OC)C=C1 AK-58301 [1,1,0,0,0,0|2,0,0]=4 349 B9R1.1 CC1=NC=C(CBr)C=C1 AK139052 [1,1,0,0,0,0|2,0,0]=4 350 B9R1.1 CC1=NC=C(CCl)C=C1 AK123163 [1,1,0,0,0,0|2,0,0]=4 351 B9R1.1 CCC1=CN=C(C=N1)C AK-58106 [1,1,0,0,0,0|2,0,0]=4 352 B9R1.1 CCC1=CN=C(Cl)C=C1 AK-48582 [1,1,0,0,0,0|1,0,0]=3 353 B9R1.1 CCC1=CN=C(N)N=C1 AK-31902 [1,1,0,0,0,0|2,0,0]=4 354 B9R1.1 CCC1=NC=C(Cl)C=C1 AK134672 [1,1,0,0,0,0|1,0,0]=3 355 B9R1.1 CNC1=CC=C(Cl)C=C1 AK129065 [1,1,0,0,0,0|1,0,0]=3 356 B9R1.1 CNC1=CC=C(F)C=C1 AK-87253 [1,1,0,0,0,0|1,0,0]=3 357 B9R1.1 CNC1=NC=C(Cl)C=C1 AK123580 [1,1,0,0,0,0|2,0,0]=4 358 B9R1.1 COC1=CC=C(Cl)C=C1 AK116963 [1,1,0,0,0,0|1,0,0]=3 359 B9R1.1 COC1=CC=C(I)C=C1 AK-44747 [1,1,0,0,0,0|1,0,0]=3 360 B9R1.1 COC1=CC=C(O)C=C1 AK-46469 [1,1,0,0,0,0|1,0,0]=3 361 B9R1.1 COC1=CN=C(Cl)C=C1 AK-33219 [1,1,0,0,0,0|2,0,0]=4 362 B9R1.1 COC1=CN=C(F)C=C1 AK-61561 [1,1,0,0,0,0|2,0,0]=4 363 B9R1.1 COC1=NC=C(Cl)C=C1 AK-44270 [1,1,0,0,0,0|2,0,0]=4 364 B9R1.1 COC1=NC=C(F)C=C1 AK-27023 [1,1,0,0,0,0|2,0,0]=4 365 B9R1.1 COC1=NC=C(I)C=C1 AK-58302 [1,1,0,0,0,0|2,0,0]=4 366 B9R1.1 CSC1=CN=C(N)C=C1 AK-40039 [1,1,0,0,0,0|2,0,0]=4 367 B9R1.1 ClC1=CC=C(C=C1)C#N AK-54448 [1,1,0,0,0,0|0,0,2]=4 368 B9R1.1 ClC1=CN=C(CBr)C=C1 AK164355 [1,1,0,0,0,0|2,0,0]=4 369 B9R1.1 ClC1=NC=C(C=N1)CC AK-32848 [1,1,0,0,0,0|2,0,0]=4 370 B9R1.1 ClCC1=NC=C(Br)C=C1 AK-47143 [1,1,0,0,0,0|2,0,0]=4 371 B9R1.1 IC1=CC=C(CBr)C=C1 AK-54650 [1,1,0,0,0,0|1,0,0]=3 372 B9R1.1 IC1=CC=C(CC)C=C1 AK121966 [1,1,0,0,0,0|0,0,0]=2 373 B9R1.1 N#CC1=CC=C(I)C=C1 AK-45950 [1,1,0,0,0,0|0,0,2]=4 374 B9R1.1 N#CC1=CC=C(N)C=C1 AK-41176 [1,1,0,0,0,0|0,0,2]=4 375 B9R1.1 N(N)C1=CN=C(C=C1)C AK-49534 [1,1,0,0,0,0|2,0,0]=4 376 B9R1.1 NC1=CC=C(C#C)C=C1 AK-59413 [1,1,0,0,0,0|0,0,2]=4 377 B9R1.1 NC1=CC=C(C=N1)CO AK-29786 [1,1,0,0,0,0|2,0,0]=4 378 B9R1.1 NC1=CC=C(CC)N=C1 AK-78651 [1,1,0,0,0,0|1,0,0]=3 379 B9R1.1 NC1=CC=C(NC)C=C1 AK-86240 [1,1,0,0,0,0|1,0,0]=3 380 B9R1.1 NC1=CN=C(NC)C=C1 AK-75542 [1,1,0,0,0,0|2,0,0]=4 381 B9R1.1 NC1=CN=C(NC)C=C1 AK141591 [1,1,0,0,0,0|2,0,0]=4 382 B9R1.1 NC1=NC=C(C=C1)OC AK-27987 [1,1,0,0,0,0|2,0,0]=4 383 B9R1.1 NC1=NC=C(N=C1)CC AK-26631 [1,1,0,0,0,0|2,0,0]=4 384 B9R1.1 NCC1=CC=C(Br)C=C1 AK-46356 [1,1,0,0,0,0|0,0,0]=2 385 B9R1.1 NCC1=CC=C(Br)C=C1 AK-49170 [1,1,0,0,0,0|0,0,0]=2 386 B9R1.1 NCC1=CC=C(Br)N=C1 AK-27657 [1,1,0,0,0,0|1,0,0]=3 387 B9R1.1 NCC1=CC=C(Cl)C=C1 AK-44456 [1,1,0,0,0,0|0,0,0]=2 388 B9R1.1 NCC1=CC=C(F)N=C1 AK-67908 [1,1,0,0,0,0|1,0,0]=3 389 B9R1.1 NCC1=CC=C(I)C=C1 AK-81624 [1,1,0,0,0,0|0,0,0]=2 390 B9R1.1 NCC1=NC=C(Br)C=C1 AK-31901 [1,1,0,0,0,0|1,0,0]=3 391 B9R1.1 NCC1=NC=C(Br)C=C1 AK142316 [1,1,0,0,0,0|1,0,0]=3 392 B9R1.1 NCC1=NC=C(Br)C=N1 AK163395 [1,1,0,0,0,0|2,0,0]=4 393 B9R1.1 NCC1=NC=C(C)C=C1 AK150805 [1,1,0,0,0,0|1,0,0]=3 394 B9R1.1 NCC1=NC=C(Cl)C=C1 AK105180 [1,1,0,0,0,0|1,0,0]=3 395 B9R1.1 NCC1=NC=C(Cl)C=C1 AK145140 [1,1,0,0,0,0|1,0,0]=3 396 B9R1.1 NCC1=NC=C(Cl)C=N1 AK159181 [1,1,0,0,0,0|2,0,0]=4 397 B9R1.1 NCC1=NC=C(F)C=C1 AK145177 [1,1,0,0,0,0|1,0,0]=3 398 B9R1.1 NCC1=NC=C(F)C=N1 AK173055 [1,1,0,0,0,0|2,0,0]=4 399 B9R1.1 NCC1=NN=C(Cl)C=C1 AK-24540 [1,1,0,0,0,0|2,0,0]=4 400 B9R1.1 NNC1=CC=C(Br)C=C1 AK-26194 [1,1,0,0,0,0|1,0,0]=3 401 B9R1.1 NNC1=CC=C(Cl)C=C1 AK-41259 [1,1,0,0,0,0|1,0,0]=3 402 B9R1.1 NNC1=CC=C(Cl)C=C1 AK132992 [1,1,0,0,0,0|1,0,0]=3 403 B9R1.1 NNC1=CC=C(F)C=C1 AK-85652 [1,1,0,0,0,0|1,0,0]=3 404 B9R1.1 NNC1=CC=C(I)C=C1 AK-64633 [1,1,0,0,0,0|1,0,0]=3 405 B9R1.1 NNC1=NC=C(Br)C=C1 AK-28593 [1,1,0,0,0,0|2,0,0]=4 406 B9R1.1 NNC1=NC=C(Cl)C=C1 AK126165 [1,1,0,0,0,0|2,0,0]=4 407 B9R1.1 NNC1=NC=C(F)C=C1 AK132930 [1,1,0,0,0,0|2,0,0]=4 408 B9R1.1 O=C1C=CC(CO)=CN1 AK-29768 [1,1,0,0,0,0|2,0,0]=4 409 B9R1.1 O=CC1=CC=C(Br)C=C1 AK-80048 [1,1,0,0,0,0|1,0,1]=4 410 B9R1.1 O=CC1=CC=C(Cl)C=C1 AK-76679 [1,1,0,0,0,0|1,0,1]=4 411 B9R1.1 O=CC1=CC=C(F)C=C1 AK-84401 [1,1,0,0,0,0|1,0,1]=4 412 B9R1.1 O=CC1=CC=C(O)C=C1 AK-77323 [1,1,0,0,0,0|1,0,1]=4 413 B9R1.1 OC1=CC=C(C=C)C=C1 AK113778 [1,1,0,0,0,0|0,0,2]=4 414 B9R1.1 OC1=CC=C(C=C1)C#N AK-44095 [1,1,0,0,0,0|0,0,2]=4 415 B9R1.1 OC1=CC=C(CO)N=C1 AK-68040 [1,1,0,0,0,0|2,0,0]=4 416 B9R1.1 OC1=CN=C(C=C1)OC AK-26060 [1,1,0,0,0,0|2,0,0]=4 417 B9R1.1 OC1=NN=C(CN)C=C1 AK601362 [1,1,0,0,0,0|2,0,0]=4 418 B9R1.1 OCC1=CC=C(Br)C=C1 AK-93775 [1,1,0,0,0,0|1,0,0]=3 419 B9R1.1 OCC1=CC=C(Br)N=C1 AK-28751 [1,1,0,0,0,0|2,0,0]=4 420 B9R1.1 OCC1=CC=C(C)C=C1 AK-92302 [1,1,0,0,0,0|1,0,0]=3 421 B9R1.1 OCC1=CC=C(Cl)C=C1 AK-94754 [1,1,0,0,0,0|1,0,0]=3 422 B9R1.1 OCC1=CC=C(F)N=C1 AK-76831 [1,1,0,0,0,0|2,0,0]=4 423 B9R1.1 OCC1=CC=C(I)C=C1 AK-72872 [1,1,0,0,0,0|1,0,0]=3 424 B9R1.1 OCC1=CC=C(N)C=C1 AK-51503 [1,1,0,0,0,0|1,0,0]=3 425 B9R1.1 OCC1=NC=C(Cl)C=C1 AK136128 [1,1,0,0,0,0|2,0,0]=4 426 B9R1.1 OCC1=NC=C(F)C=C1 AK-36421 [1,1,0,0,0,0|2,0,0]=4 427 B9R1.2 BrC1=CC(=CN=C1)CC AK-54800 [1,1,0,0,0,0|1,0,0]=3 428 B9R1.2 BrC1=CC(=NC=C1)CN AK-30719 [1,1,0,0,0,0|1,0,0]=3 429 B9R1.2 BrC1=CC(C=C)=CC=C1 AK-76367 [1,1,0,0,0,0|0,0,2]=4 430 B9R1.2 BrC1=CN=CC(=C1)CO AK-29246 [1,1,0,0,0,0|2,0,0]=4 431 B9R1.2 BrC1=NC=CC(=C1)CO AK-25314 [1,1,0,0,0,0|2,0,0]=4 432 B9R1.2 BrCC1=CC(Br)=NC=C1 AK-53557 [1,1,0,0,0,0|2,0,0]=4 433 B9R1.2 BrCC1=CC(I)=CC=C1 AK-54649 [1,1,0,0,0,0|1,0,0]=3 434 B9R1.2 BrCC1=CC=CC(Br)=N1 AK-48524 [1,1,0,0,0,0|2,0,0]=4 435 B9R1.2 C#CC1=CC=CC(Br)=C1 AK-45287 [1,1,0,0,0,0|0,0,2]=4 436 B9R1.2 C1=C(C=CC=C1Br)C#N AK-47279 [1,1,0,0,0,0|0,0,2]=4 437 B9R1.2 C1=C(C=CC=C1C#C)N AK-27092 [1,1,0,0,0,0|0,0,2]=4 438 B9R1.2 C1=C(C=CC=C1C#N)O AK-47400 [1,1,0,0,0,0|0,0,2]=4 439 B9R1.2 C1=C(C=CC=C1Cl)C#C AK-47344 [1,1,0,0,0,0|0,0,2]=4 440 B9R1.2 C1=C(C=CC=C1F)NN AK-47492 [1,1,0,0,0,0|1,0,0]=3 441 B9R1.2 C1=C(C=CN=C1OC)N AK-28456 [1,1,0,0,0,0|2,0,0]=4 442 B9R1.2 C1=C(CO)C=CC=C1N AK-50595 [1,1,0,0,0,0|1,0,0]=3 443 B9R1.2 C1=C(N=C(C=C1)Cl)NN AK-27744 [1,1,0,0,0,0|2,0,0]=4 444 B9R1.2 C1=C(NN)C=CC=C1Br AK-25693 [1,1,0,0,0,0|1,0,0]=3 445 B9R1.2 C1=C(NN)C=CC=C1C AK-47381 [1,1,0,0,0,0|1,0,0]=3 446 B9R1.2 C1=CC=C(N=C1OC)Br AK-25939 [1,1,0,0,0,0|2,0,0]=4 447 B9R1.2 C1=CC=C(N=C1OC)C AK-44038 [1,1,0,0,0,0|2,0,0]=4 448 B9R1.2 C1=CC=C(N=C1OC)Cl AK-25492 [1,1,0,0,0,0|2,0,0]=4 449 B9R1.2 CC1=CC(CCl)=NC=C1 AK-74194 [1,1,0,0,0,0|2,0,0]=4 450 B9R1.2 CC1=CC(CO)=NC=C1 AK-74173 [1,1,0,0,0,0|2,0,0]=4 451 B9R1.2 CC1=CC(OC)=NC=C1 AK-39493 [1,1,0,0,0,0|2,0,0]=4 452 B9R1.2 CC1=CC=CC(CBr)=N1 AK-44889 [1,1,0,0,0,0|2,0,0]=4 453 B9R1.2 CC1=CC=CC(CCl)=N1 AK-40015 [1,1,0,0,0,0|2,0,0]=4 454 B9R1.2 CC1=CN=CC(CBr)=C1 AK-56105 [1,1,0,0,0,0|2,0,0]=4 455 B9R1.2 CCC1=CC(N)=NC=C1 AK-29170 [1,1,0,0,0,0|1,0,0]=3 456 B9R1.2 CCC1=CC=CC(Br)=C1 AK111102 [1,1,0,0,0,0|0,0,0]=2 457 B9R1.2 CCC1=CC=CC(Br)=N1 AK-65167 [1,1,0,0,0,0|1,0,0]=3 458 B9R1.2 CCC1=NC=CC(Br)=C1 AK129552 [1,1,0,0,0,0|1,0,0]=3 459 B9R1.2 CNC1=CC(Br)=NC=C1 AK161537 [1,1,0,0,0,0|2,0,0]=4 460 B9R1.2 CNC1=CC=CC(Br)=C1 AK112706 [1,1,0,0,0,0|1,0,0]=3 461 B9R1.2 CNC1=NC(Cl)=CC=C1 AK-48574 [1,1,0,0,0,0|2,0,0]=4 462 B9R1.2 CNC1=NC=CC(Br)=C1 AK141589 [1,1,0,0,0,0|2,0,0]=4 463 B9R1.2 COC1=CC(Br)=CC=C1 AK-76817 [1,1,0,0,0,0|1,0,0]=3 464 B9R1.2 COC1=CC(Br)=NC=C1 AK-36780 [1,1,0,0,0,0|2,0,0]=4 465 B9R1.2 COC1=CC(C)=NC=C1 AK-67862 [1,1,0,0,0,0|2,0,0]=4 466 B9R1.2 COC1=CC(Cl)=CC=C1 AK106212 [1,1,0,0,0,0|1,0,0]=3 467 B9R1.2 COC1=CC(Cl)=NC=C1 AK-25114 [1,1,0,0,0,0|2,0,0]=4 468 B9R1.2 COC1=CC=CC(F)=N1 AK130132 [1,1,0,0,0,0|2,0,0]=4 469 B9R1.2 COC1=CN=CC(=C1)O AK-28499 [1,1,0,0,0,0|2,0,0]=4 470 B9R1.2 COC1=CN=CC(Br)=C1 AK-26045 [1,1,0,0,0,0|2,0,0]=4 471 B9R1.2 COC1=NC=CC(Br)=C1 AK-47404 [1,1,0,0,0,0|2,0,0]=4 472 B9R1.2 COC1=NC=CC(F)=C1 AK-77188 [1,1,0,0,0,0|2,0,0]=4 473 B9R1.2 COC1=NC=CC(I)=C1 AK-37008 [1,1,0,0,0,0|2,0,0]=4 474 B9R1.2 CSC1=CC=CC(Br)=N1 AK159822 [1,1,0,0,0,0|2,0,0]=4 475 B9R1.2 ClC1=CC(=NC=C1)CN AK-28137 [1,1,0,0,0,0|1,0,0]=3 476 B9R1.2 ClC1=CC(=NC=C1)CO AK-27991 [1,1,0,0,0,0|2,0,0]=4 477 B9R1.2 ClC1=CC(=NC=C1)OC AK-26290 [1,1,0,0,0,0|2,0,0]=4 478 B9R1.2 ClC1=CC(=NC=C1)SC AK-25786 [1,1,0,0,0,0|2,0,0]=4 479 B9R1.2 ClC1=CC(CO)=CC=C1 AK-51231 [1,1,0,0,0,0|1,0,0]=3 480 B9R1.2 ClC1=CC=CC(=N1)CO AK-28428 [1,1,0,0,0,0|2,0,0]=4 481 B9R1.2 ClC1=CN=CC(=C1)CO AK-23534 [1,1,0,0,0,0|2,0,0]=4 482 B9R1.2 ClC1=NC=CC(CBr)=C1 AK-50155 [1,1,0,0,0,0|2,0,0]=4 483 B9R1.2 ClC1=NC=CC(CBr)=C1 AK163959 [1,1,0,0,0,0|2,0,0]=4 484 B9R1.2 ClCC1=CC(=CN=C1)C AK-33495 [1,1,0,0,0,0|2,0,0]=4 485 B9R1.2 ClCC1=CC(I)=CC=C1 AK-94390 [1,1,0,0,0,0|1,0,0]=3 486 B9R1.2 ClCC1=CC=CC(Br)=N1 AK151971 [1,1,0,0,0,0|2,0,0]=4 487 B9R1.2 ClCC1=CN=CC(Br)=C1 AK-88388 [1,1,0,0,0,0|2,0,0]=4 488 B9R1.2 ClCC1=NC=CC(Cl)=C1 AK-46990 [1,1,0,0,0,0|2,0,0]=4 489 B9R1.2 FC1=CC(CO)=CC=C1 AK-51232 [1,1,0,0,0,0|1,0,0]=3 490 B9R1.2 FC1=CC=CC(CBr)=N1 AK-77216 [1,1,0,0,0,0|2,0,0]=4 491 B9R1.2 FC1=CC=CC(CCl)=N1 AK137993 [1,1,0,0,0,0|2,0,0]=4 492 B9R1.2 N#CC1=CC=CC(I)=C1 AK-76942 [1,1,0,0,0,0|0,0,2]=4 493 B9R1.2 N(N)C1=NC(=CC=C1)C AK-35513 [1,1,0,0,0,0|2,0,0]=4 494 B9R1.2 NC1=CC(=CN=C1)OC AK-27775 [1,1,0,0,0,0|2,0,0]=4 495 B9R1.2 NC1=CC(NC)=NC=C1 AK118733 [1,1,0,0,0,0|2,0,0]=4 496 B9R1.2 NC1=CC=CC(C#C)=C1 AK119642 [1,1,0,0,0,0|0,0,2]=4 497 B9R1.2 NC1=CC=CC(CN)=C1 AK-76655 [1,1,0,0,0,0|0,0,0]=2 498 B9R1.2 NC1=CC=CC(CO)=N1 AK-85732 [1,1,0,0,0,0|2,0,0]=4 499 B9R1.2 NC1=CC=CC(OC)=C1 AK309398 [1,1,0,0,0,0|1,0,0]=3 500 B9R1.2 NC1=CC=CC(SC)=C1 AK162933 [1,1,0,0,0,0|1,0,0]=3 501 B9R1.2 NC1=NC(=CC=C1)OC AK-27734 [1,1,0,0,0,0|2,0,0]=4 502 B9R1.2 NC1=NC(CC)=CC=C1 AK-28992 [1,1,0,0,0,0|1,0,0]=3 503 B9R1.2 NC1=NC=CC(=C1)CN AK-28487 [1,1,0,0,0,0|1,0,0]=3 504 B9R1.2 NC1=NC=CC(=C1)OC AK-25255 [1,1,0,0,0,0|2,0,0]=4 505 B9R1.2 NCC1=CC(Br)=NC=C1 AK111031 [1,1,0,0,0,0|1,0,0]=3 506 B9R1.2 NCC1=CC(C)=NC=C1 AK130210 [1,1,0,0,0,0|1,0,0]=3 507 B9R1.2 NCC1=CC(Cl)=NC=C1 AK-90264 [1,1,0,0,0,0|1,0,0]=3 508 B9R1.2 NCC1=CC(F)=CC=C1 AK-80195 [1,1,0,0,0,0|0,0,0]=2 509 B9R1.2 NCC1=CC(F)=NC=C1 AK186950 [1,1,0,0,0,0|1,0,0]=3 510 B9R1.2 NCC1=CC=CC(Br)=C1 AK-49144 [1,1,0,0,0,0|0,0,0]=2 511 B9R1.2 NCC1=CC=CC(C)=C1 AK-98167 [1,1,0,0,0,0|0,0,0]=2 512 B9R1.2 NCC1=CC=CC(Cl)=C1 AK-89641 [1,1,0,0,0,0|0,0,0]=2 513 B9R1.2 NCC1=CC=CC(I)=C1 AK-46127 [1,1,0,0,0,0|0,0,0]=2 514 B9R1.2 NCC1=NC(Br)=CC=C1 AK-39249 [1,1,0,0,0,0|1,0,0]=3 515 B9R1.2 NCC1=NC(Br)=CC=C1 AK-79055 [1,1,0,0,0,0|1,0,0]=3 516 B9R1.2 NCC1=NC(Cl)=CC=C1 AK105012 [1,1,0,0,0,0|1,0,0]=3 517 B9R1.2 NCC1=NC(Cl)=CN=C1 AK130178 [1,1,0,0,0,0|2,0,0]=4 518 B9R1.2 NCC1=NC(F)=CC=C1 AK112462 [1,1,0,0,0,0|1,0,0]=3 519 B9R1.2 NCC1=NC=CC(Br)=C1 AK-76280 [1,1,0,0,0,0|1,0,0]=3 520 B9R1.2 NCC1=NC=CC(Cl)=C1 AK164315 [1,1,0,0,0,0|1,0,0]=3 521 B9R1.2 NCC1=NC=CC(F)=C1 AK133025 [1,1,0,0,0,0|1,0,0]=3 522 B9R1.2 NNC1=CC=CC(Br)=N1 AK-68384 [1,1,0,0,0,0|2,0,0]=4 523 B9R1.2 NNC1=CC=CC(Cl)=C1 AK-46617 [1,1,0,0,0,0|1,0,0]=3 524 B9R1.2 O=C1C=C(CC)C=NN1 AK132530 [1,1,0,0,0,0|2,0,0]=4 525 B9R1.2 O=C1C=C(NN)C=CN1 AK117636 [1,1,0,0,0,0|2,0,0]=4 526 B9R1.2 O=C1C=C(OC)C=CN1 AK-35484 [1,1,0,0,0,0|2,0,0]=4 527 B9R1.2 O=C1NC=NC(CC)=C1 AK100022 [1,1,0,0,0,0|2,0,0]=4 528 B9R1.2 O=CC1=CC=CC(Br)=C1 AK-77027 [1,1,0,0,0,0|1,0,1]=4 529 B9R1.2 O=CC1=CC=CC(Cl)=C1 AK-68812 [1,1,0,0,0,0|1,0,1]=4 530 B9R1.2 O=CC1=CC=CC(F)=C1 AK112743 [1,1,0,0,0,0|1,0,1]=4 531 B9R1.2 O=CC1=CC=CC(I)=C1 AK-50045 [1,1,0,0,0,0|1,0,1]=4 532 B9R1.2 O=CC1=CC=CC(N)=C1 AK121859 [1,1,0,0,0,0|1,0,1]=4 533 B9R1.2 O=CC1=CC=CC(O)=C1 AK-77369 [1,1,0,0,0,0|1,0,1]=4 534 B9R1.2 OC1=CC(=CC=C1)C#C AK111295 [1,1,0,0,0,0|0,0,2]=4 535 B9R1.2 OC1=CC(CBr)=CC=C1 AK-99880 [1,1,0,0,0,0|1,0,0]=3 536 B9R1.2 OC1=CC(OC)=NC=C1 AK-68345 [1,1,0,0,0,0|2,0,0]=4 537 B9R1.2 OCC1=CC(=O)NC=C1 AK-72519 [1,1,0,0,0,0|2,0,0]=4 538 B9R1.2 OCC1=CC(C)=CN=C1 AK130310 [1,1,0,0,0,0|2,0,0]=4 539 B9R1.2 OCC1=CC(C)=NC=C1 AK-32751 [1,1,0,0,0,0|2,0,0]=4 540 B9R1.2 OCC1=CC(Cl)=NC=C1 AK-32643 [1,1,0,0,0,0|2,0,0]=4 541 B9R1.2 OCC1=CC(F)=NC=C1 AK-57689 [1,1,0,0,0,0|2,0,0]=4 542 B9R1.2 OCC1=CC(N)=CN=C1 AK135137 [1,1,0,0,0,0|2,0,0]=4 543 B9R1.2 OCC1=CC(N)=NC=C1 AK-25275 [1,1,0,0,0,0|2,0,0]=4 544 B9R1.2 OCC1=CC=CC(Br)=C1 AK110441 [1,1,0,0,0,0|1,0,0]=3 545 B9R1.2 OCC1=CC=CC(Br)=N1 AK-34739 [1,1,0,0,0,0|2,0,0]=4 546 B9R1.2 OCC1=NC(C)=CC=C1 AK-47726 [1,1,0,0,0,0|2,0,0]=4 547 B9R1.2 OCC1=NC(Cl)=CC=C1 AK-29179 [1,1,0,0,0,0|2,0,0]=4 548 B9R1.2 OCC1=NC=CC(Br)=C1 AK-25360 [1,1,0,0,0,0|2,0,0]=4 549 B9R1.6 C1=C(C(=O)C)C=CN=C1 AK-65203 [1,1,0,0,0,0|1,0,1]=4 550 B9R1.6 C1=C(C(C)=O)N=CC=C1 AK-53417 [1,1,0,0,0,0|1,0,1]=4 551 B9R1.6 C1=C(C(N)=O)C=CN=C1 AK-47864 [1,1,0,0,0,0|1,0,1]=4 552 B9R1.6 C1=C(C=CC=C1)B(O)O AK-50285 [1,1,0,0,0,0|2,0,0]=4 553 B9R1.6 C1=NC(=CC=C1)C(C)C AK-46532 [1,1,0,0,0,0|1,0,0]=3 554 B9R1.6 CC(N)C1=CC=CN=C1 AK-35649 [1,1,0,0,0,0|1,0,0]=3 555 B9R1.6 CC(N)C1=CN=CC=N1 AK-31016 [1,1,0,0,0,0|2,0,0]=4 556 B9R1.6 CC(N)C1=NC=CC=N1 AK162973 [1,1,0,0,0,0|2,0,0]=4 557 B9R1.6 CC(O)C1=NC=CC=C1 AK-53453 [1,1,0,0,0,0|1,0,0]=3 558 B9R1.6 CN(C)C1=NC=CC=C1 AK-78706 [1,1,0,0,0,0|2,0,0]=4 559 B9R1.6 C[C@@H](N)C1=CC=CC=C1 AK668263 [1,1,0,0,0,0|0,0,0]=2 560 B9R1.6 C[C@@H](N)C1=CC=CN=C1 AK152012 [1,1,0,0,0,0|1,0,0]=3 561 B9R1.6 C[C@@H](N)C1=NC=CC=C1 AK122419 [1,1,0,0,0,0|1,0,0]=3 562 B9R1.6 C[C@@H](O)C1=CC=CC=C1 AK-79205 [1,1,0,0,0,0|0,0,0]=2 563 B9R1.6 C[C@@H](O)C1=CC=NC=C1 AK-45022 [1,1,0,0,0,0|1,0,0]=3 564 B9R1.6 C[C@@H](O)C1=NC=CC=C1 AK-79201 [1,1,0,0,0,0|1,0,0]=3 565 B9R1.6 C[C@H](N)C1=CC=CN=C1 AK151271 [1,1,0,0,0,0|1,0,0]=3 566 B9R1.6 C[C@H](O)C1=CC=NC=C1 AK-79199 [1,1,0,0,0,0|1,0,0]=3 567 B9R1.6 N1=C(C=CC=C1)C(N)=S AK-65332 [1,1,0,0,0,0|1,0,1]=4 568 B9R1.6 N1=C(C=CC=C1)[C@@H](C)N AK-37082 [1,1,0,0,0,0|1,0,0]=3 569 B9R1.6 N=C(N)C1=CC=CC=C1 AK-47930 [1,1,0,0,0,0|0,0,1]=3 570 B9R1.6 N=C(N)C1=CC=NC=C1 AK-84875 [1,1,0,0,0,0|1,0,1]=4 571 B9R1.6 N=C(N)C1=CC=NC=C1 AK546382 [1,1,0,0,0,0|1,0,1]=4 572 B9R1.6 N=C(N)C1=CN=CC=C1 AK-76662 [1,1,0,0,0,0|1,0,1]=4 573 B9R1.6 N=C(N)C1=NC=CC=C1 AK-26055 [1,1,0,0,0,0|1,0,1]=4 574 B9R1.6 NC(=N)C1=CC=CC=C1 AK-48017 [1,1,0,0,0,0|0,0,1]=3 575 B9R1.6 NC(C1=CC=CC=C1)=S AK-46849 [1,1,0,0,0,0|0,0,1]=3 576 B9R1.6 N[C@@H](C1=CC=NC=C1)C AK202973 [1,1,0,0,0,0|1,0,0]=3 577 B9R1.6 N[C@H](C1=NC=CC=C1)C AK-37110 [1,1,0,0,0,0|1,0,0]=3 578 B9R1.6 O=C(N)C1=CC=CC=C1 AK-77684 [1,1,0,0,0,0|0,0,1]=3 579 B9R1.6 O=C(N)C1=CN=CC=C1 AK112769 [1,1,0,0,0,0|1,0,1]=4 580 B9R1.6 O=C(N)C1=NC=CC=C1 AK106190 [1,1,0,0,0,0|1,0,1]=4 581 B9R1.6 O=S(C1=CC=CC=C1)[O-] AK162411 [1,1,0,0,0,0|2,0,0]=4 582 B9R1.15 BrC1=C(C=NC=C1)OC AK-46696 [1,1,0,0,0,0|2,0,0]=4 583 B9R1.15 BrC1=CC=CN=C1OC AK-33153 [1,1,0,0,0,0|2,0,0]=4 584 B9R1.15 BrCC1=C(I)C=CC=C1 AK-54648 [1,1,0,0,0,0|1,0,0]=3 585 B9R1.15 BrCC1=NC=CC=C1Br AK158877 [1,1,0,0,0,0|2,0,0]=4 586 B9R1.15 C#CC1=CC=CC=C1Br AK-45286 [1,1,0,0,0,0|0,0,2]=4 587 B9R1.15 C(C)C1=NC=NC=C1F AK-23771 [1,1,0,0,0,0|2,0,0]=4 588 B9R1.15 C1=C(C(=CC=C1)Br)CC AK-46714 [1,1,0,0,0,0|0,0,0]=2 589 B9R1.15 C1=C(C(=CC=C1)Br)CN AK-73129 [1,1,0,0,0,0|0,0,0]=2 590 B9R1.15 C1=C(C(=CC=C1)Cl)CO AK-46748 [1,1,0,0,0,0|1,0,0]=3 591 B9R1.15 C1=C(I)C(=NC=C1)OC AK-25295 [1,1,0,0,0,0|2,0,0]=4 592 B9R1.15 C1=CC=CC(=C1C#N)Br AK-46715 [1,1,0,0,0,0|0,0,2]=4 593 B9R1.15 C1=CC=CC(=C1C#N)O AK-47282 [1,1,0,0,0,0|0,0,2]=4 594 B9R1.15 C1=CC=CC(=C1CO)Br AK-51234 [1,1,0,0,0,0|1,0,0]=3 595 B9R1.15 C1=CC=CC(=C1NN)Br AK-35375 [1,1,0,0,0,0|1,0,0]=3 596 B9R1.15 C1=CC=CC(=C1NN)C AK-46554 [1,1,0,0,0,0|1,0,0]=3 597 B9R1.15 C1=CC=CC(=C1NN)Cl AK-37033 [1,1,0,0,0,0|1,0,0]=3 598 B9R1.15 C1=CC=CC(=C1O)CO AK-47595 [1,1,0,0,0,0|1,0,0]=3 599 B9R1.15 C1=CC=CC(=C1OC)F AK-46555 [1,1,0,0,0,0|1,0,0]=3 600 B9R1.15 C1=NC(=C(C=C1)CO)N AK-23581 [1,1,0,0,0,0|2,0,0]=4 601 B9R1.15 C=CC1=CC=CC=C1Cl AK114259 [1,1,0,0,0,0|0,0,2]=4 602 B9R1.15 CC1=C(CBr)C=NC=C1 AK137963 [1,1,0,0,0,0|2,0,0]=4 603 B9R1.15 CC1=C(CCl)C=NC=C1 AK143692 [1,1,0,0,0,0|2,0,0]=4 604 B9R1.15 CC1=CC=CC=C1CC AK-49977 [1,1,0,0,0,0|0,0,0]=2 605 B9R1.15 CC1=CC=CN=C1CCl AK-77025 [1,1,0,0,0,0|2,0,0]=4 606 B9R1.15 CC1=CC=CN=C1OC AK126197 [1,1,0,0,0,0|2,0,0]=4 607 B9R1.15 CC1=NC=CN=C1CC AK114356 [1,1,0,0,0,0|2,0,0]=4 608 B9R1.15 CCC1=C(Br)C=CN=C1 AK328293 [1,1,0,0,0,0|1,0,0]=3 609 B9R1.15 CCC1=C(Br)C=NC=C1 AK-81618 [1,1,0,0,0,0|1,0,0]=3 610 B9R1.15 CCC1=C(Cl)N=CC=N1 AK-54851 [1,1,0,0,0,0|2,0,0]=4 611 B9R1.15 CCC1=CN=CN=C1Cl AK-25151 [1,1,0,0,0,0|2,0,0]=4 612 B9R1.15 CCC1=NC=CC=C1Br AK128590 [1,1,0,0,0,0|1,0,0]=3 613 B9R1.15 CCC1=NC=NC=C1Br AK105597 [1,1,0,0,0,0|2,0,0]=4 614 B9R1.15 CNC1=CC=CC=C1Cl AK163346 [1,1,0,0,0,0|1,0,0]=3 615 B9R1.15 CNC1=CC=CC=C1F AK-48931 [1,1,0,0,0,0|1,0,0]=3 616 B9R1.15 CNC1=CC=CN=C1Cl AK115045 [1,1,0,0,0,0|2,0,0]=4 617 B9R1.15 CNC1=NC=CC=C1Cl AK140218 [1,1,0,0,0,0|2,0,0]=4 618 B9R1.15 COC1=C(Br)C=NC=C1 AK-36460 [1,1,0,0,0,0|2,0,0]=4 619 B9R1.15 COC1=C(I)C=NC=C1 AK-26421 [1,1,0,0,0,0|2,0,0]=4 620 B9R1.15 COC1=CC=CC=C1Br AK-76806 [1,1,0,0,0,0|1,0,0]=3 621 B9R1.15 COC1=CC=CN=C1Br AK-29048 [1,1,0,0,0,0|2,0,0]=4 622 B9R1.15 COC1=CC=CN=C1F AK-63160 [1,1,0,0,0,0|2,0,0]=4 623 B9R1.15 COC1=NC=CC=C1Cl AK-33154 [1,1,0,0,0,0|2,0,0]=4 624 B9R1.15 COC1=NC=CC=C1F AK-33314 [1,1,0,0,0,0|2,0,0]=4 625 B9R1.15 ClC1=C(C=CC=C1)C#C AK-30160 [1,1,0,0,0,0|0,0,2]=4 626 B9R1.15 ClC1=CC=CN=C1CBr AK138503 [1,1,0,0,0,0|2,0,0]=4 627 B9R1.15 ClC1=CC=CN=C1NN AK-34224 [1,1,0,0,0,0|2,0,0]=4 628 B9R1.15 ClCC1=NC=CC=C1Cl AK109982 [1,1,0,0,0,0|2,0,0]=4 629 B9R1.15 ClCC1=NC=CC=C1Cl AK138192 [1,1,0,0,0,0|2,0,0]=4 630 B9R1.15 FC1=C(C=CN=C1)CN AK-49033 [1,1,0,0,0,0|1,0,0]=3 631 B9R1.15 FC1=CC=CN=C1CBr AK128379 [1,1,0,0,0,0|2,0,0]=4 632 B9R1.15 FC1=CC=CN=C1CCl AK109609 [1,1,0,0,0,0|2,0,0]=4 633 B9R1.15 FC1=CC=CN=C1CO AK-29127 [1,1,0,0,0,0|2,0,0]=4 634 B9R1.15 FC1=NC=CC=C1CN AK-30140 [1,1,0,0,0,0|1,0,0]=3 635 B9R1.15 N#CC1=CC=CC=C1Cl AK-44438 [1,1,0,0,0,0|0,0,2]=4 636 B9R1.15 N#CC1=CC=CC=C1F AK-88419 [1,1,0,0,0,0|0,0,2]=4 637 B9R1.15 N#CC1=CC=CC=C1I AK-76636 [1,1,0,0,0,0|0,0,2]=4 638 B9R1.15 NC1=C(C=CN=C1)OC AK-27262 [1,1,0,0,0,0|2,0,0]=4 639 B9R1.15 NC1=C(C=O)C=CC=C1 AK-45623 [1,1,0,0,0,0|1,0,1]=4 640 B9R1.15 NC1=C(OC)C=NC=C1 AK-46304 [1,1,0,0,0,0|2,0,0]=4 641 B9R1.15 NC1=CC=CC=C1C#C AK-45718 [1,1,0,0,0,0|0,0,2]=4 642 B9R1.15 NC1=CC=CC=C1C=C AK100084 [1,1,0,0,0,0|0,0,2]=4 643 B9R1.15 NC1=CC=CC=C1NC AK-35283 [1,1,0,0,0,0|1,0,0]=3 644 B9R1.15 NC1=CC=CN=C1OC AK-28363 [1,1,0,0,0,0|2,0,0]=4 645 B9R1.15 NC1=NC=CC=C1OC AK-25256 [1,1,0,0,0,0|2,0,0]=4 646 B9R1.15 NC1=NC=CN=C1CC AK-30572 [1,1,0,0,0,0|2,0,0]=4 647 B9R1.15 NCC1=CC=CC=C1C AK-89642 [1,1,0,0,0,0|0,0,0]=2 648 B9R1.15 NCC1=CC=CC=C1Cl AK-78184 [1,1,0,0,0,0|0,0,0]=2 649 B9R1.15 NCC1=CC=CC=C1F AK-88519 [1,1,0,0,0,0|0,0,0]=2 650 B9R1.15 NCC1=CC=CC=C1I AK-94126 [1,1,0,0,0,0|0,0,0]=2 651 B9R1.15 NCC1=NC=CC=C1C AK122548 [1,1,0,0,0,0|1,0,0]=3 652 B9R1.15 NCC1=NC=CC=C1Cl AK-41569 [1,1,0,0,0,0|1,0,0]=3 653 B9R1.15 NCC1=NC=CN=C1Cl AK-42166 [1,1,0,0,0,0|2,0,0]=4 654 B9R1.15 NCC1=NC=CN=C1Cl AK-64298 [1,1,0,0,0,0|2,0,0]=4 655 B9R1.15 NNC1=CC=CC=C1Br AK-33609 [1,1,0,0,0,0|1,0,0]=3 656 B9R1.15 NNC1=CC=CC=C1F AK-78527 [1,1,0,0,0,0|1,0,0]=3 657 B9R1.15 NNC1=CC=CC=C1I AK198825 [1,1,0,0,0,0|1,0,0]=3 658 B9R1.15 O=C1C(CC)=CC=NN1 AK132188 [1,1,0,0,0,0|2,0,0]=4 659 B9R1.15 O=C1C(CC)=NC=CN1 AK198883 [1,1,0,0,0,0|2,0,0]=4 660 B9R1.15 O=C1C(CN)=CC=CN1 AK-76048 [1,1,0,0,0,0|1,0,0]=3 661 B9R1.15 O=CC1=CC=CC=C1Br AK-50022 [1,1,0,0,0,0|1,0,1]=4 662 B9R1.15 O=CC1=CC=CC=C1F AK-88670 [1,1,0,0,0,0|1,0,1]=4 663 B9R1.15 O=CC1=CC=CC=C1I AK-94125 [1,1,0,0,0,0|1,0,1]=4 664 B9R1.15 O=CC1=CC=CC=C1N AK550048 [1,1,0,0,0,0|1,0,1]=4 665 B9R1.15 OC1=CC=CC=C1CN AK-49022 [1,1,0,0,0,0|0,0,0]=2 666 B9R1.15 OC1=CC=CC=C1CN AK167666 [1,1,0,0,0,0|0,0,0]=2 667 B9R1.15 OC1=CC=CC=C1OC AK114448 [1,1,0,0,0,0|1,0,0]=3 668 B9R1.15 OC1=CC=CN=C1CN AK-82086 [1,1,0,0,0,0|1,0,0]=3 669 B9R1.15 OC1=CC=CN=C1OC AK261041 [1,1,0,0,0,0|2,0,0]=4 670 B9R1.15 OCC1=C(Br)C=CN=C1 AK-86110 [1,1,0,0,0,0|2,0,0]=4 671 B9R1.15 OCC1=C(Br)C=NC=C1 AK-38288 [1,1,0,0,0,0|2,0,0]=4 672 B9R1.15 OCC1=C(Cl)C=CN=C1 AK124400 [1,1,0,0,0,0|2,0,0]=4 673 B9R1.15 OCC1=C(F)C=NC=C1 AK-90171 [1,1,0,0,0,0|2,0,0]=4 674 B9R1.15 OCC1=C(N)C=CN=C1 AK-58822 [1,1,0,0,0,0|2,0,0]=4 675 B9R1.15 OCC1=C(N)C=NC=C1 AK-74165 [1,1,0,0,0,0|2,0,0]=4 676 B9R1.15 OCC1=CC=CC=C1I AK-77177 [1,1,0,0,0,0|1,0,0]=3 677 B9R1.15 OCC1=CC=CC=C1N AK-49868 [1,1,0,0,0,0|1,0,0]=3 678 B9R1.15 OCC1=CC=CN=C1Cl AK-23619 [1,1,0,0,0,0|2,0,0]=4 679 B9R1.15 OCC1=CC=CN=C1F AK-33110 [1,1,0,0,0,0|2,0,0]=4 680 B9R1.15 OCC1=NC=CC=C1Cl AK133056 [1,1,0,0,0,0|2,0,0]=4 681 B9R1.7 CC1=CC=C(CCO)O1 AK684573 [0,1,0,0,1,0|2,0,0]=4 682 B9R1.7 CCCC1=CC=C(Br)S1 AK-89997 [0,1,0,0,1,0|2,0,0]=4 683 B9R1.11 NC(C1=CC=CS1)CO AK684513 [0,1,0,0,1,0|2,0,0]=4 684 B9R1.12 CCCCC1=CC=CS1 AK142166 [0,1,0,0,1,0|2,0,0]=4 685 B9R1.12 CCOCC1=CC=CO1 AK119688 [0,1,0,0,1,0|2,0,0]=4 686 B9R1.12 N#CCCN1C=CC=C1 AK111457 [0,1,0,0,1,0|1,0,1]=4 687 B9R1.33 CC1=NC=CN1CCN AK-55496 [0,1,0,0,1,0|2,0,0]=4 688 B11R1.1 CC1=CC=C(OCCO)C=C1 AK187911 [0,2,0,0,0,0|1,0,0]=3 689 B11R1.1 CCCCC1=CC=C(Br)C=C1 AK-50730 [0,2,0,0,0,0|1,0,0]=3 690 B11R1.1 CCCOC1=CC=C(O)C=C1 AK-48796 [0,2,0,0,0,0|1,0,0]=3 691 B11R1.1 CCNCC1=CC=C(C)C=C1 AK-88644 [0,2,0,0,0,0|1,0,0]=3 692 B11R1.1 CCOCC1=CC=C(O)C=C1 AK104357 [0,2,0,0,0,0|1,0,0]=3 693 B11R1.1 ClC1=CC=C(CCCBr)C=C1 AK105993 [0,2,0,0,0,0|1,0,0]=3 694 B11R1.1 FC1=CC=C(CCNC)C=C1 AK140514 [0,2,0,0,0,0|0,0,0]=2 695 B11R1.1 FC1=CC=C(COCC)C=C1 AK468045 [0,2,0,0,0,0|1,0,0]=3 696 B11R1.1 FC1=CC=C(OCCBr)C=C1 AK135025 [0,2,0,0,0,0|1,0,0]=3 697 B11R1.1 FC1=CC=C(OCCN)C=C1 AK136704 [0,2,0,0,0,0|0,0,0]=2 698 B11R1.1 NCCCC1=CC=C(Cl)C=C1 AK117153 [0,2,0,0,0,0|0,0,0]=2 699 B11R1.1 NCCCC1=CC=C(F)C=C1 AK223008 [0,2,0,0,0,0|0,0,0]=2 700 B11R1.1 NCCNC1=NC=C(Br)C=C1 AK-78313 [0,2,0,0,0,0|1,0,0]=3 701 B11R1.1 OCCCC1=CC=C(Br)C=C1 AK-38439 [0,2,0,0,0,0|1,0,0]=3 702 B11R1.1 OCCCC1=CC=C(Br)N=C1 AK-80543 [0,2,0,0,0,0|2,0,0]=4 703 B11R1.1 OCCCC1=CC=C(O)C=C1 AK-32677 [0,2,0,0,0,0|1,0,0]=3 704 B11R1.20 C1=C(C=CC(=C1)F)CC(O)=O AK-49121 [0,2,0,0,0,0|1,0,1]=4 705 B11R1.20 C1=CC(=CC=C1CC(C)=O)F AK-50578 [0,2,0,0,0,0|1,0,1]=4 706 B11R1.20 C1=CC(=CC=C1N)CC(O)=O AK-47573 [0,2,0,0,0,0|1,0,1]=4 707 B11R1.20 CC(NC1=CC=C(F)C=C1)C AK-53729 [0,2,0,0,0,0|2,0,0]=4 708 B11R1.20 NC(=O)NC1=CC=C(Cl)C=C1 AK-59139 [0,2,0,0,0,0|1,0,1]=4 709 B11R1.20 NC1=CC=C(CN(C)C)C=C1 AK-35964 [0,2,0,0,0,0|2,0,0]=4 710 B11R1.20 NC1=CC=C(OC(C)C)C=C1 AK-42665 [0,2,0,0,0,0|2,0,0]=4 711 B11R1.20 O=C(N)CC1=CC=C(Cl)C=C1 AK201413 [0,2,0,0,0,0|0,0,1]=3 712 B11R1.20 O=C(N)CC1=NC=C(Br)C=C1 AK141365 [0,2,0,0,0,0|1,0,1]=4 713 B11R1.20 O=C(O)CC1=CC=C(C)C=C1 AK-45538 [0,2,0,0,0,0|1,0,1]=4 714 B11R1.20 O=C(O)CC1=CC=C(I)C=C1 AK-45403 [0,2,0,0,0,0|1,0,1]=4 715 B11R1.20 OC(=O)CC1=CC=C(Br)C=C1 AK-45378 [0,2,0,0,0,0|1,0,1]=4 716 B11R1.20 OC(=O)CC1=CC=C(Cl)C=C1 AK-76702 [0,2,0,0,0,0|1,0,1]=4 717 B11R1.20 OC(=O)CC1=CC=C(O)C=C1 AK101098 [0,2,0,0,0,0|1,0,1]=4 718 B11R1.20 OC1=CC=C(OC(F)F)C=C1 AK116337 [0,2,0,0,0,0|2,0,0]=4 719 B11R1.20 S=C(N)NC1=CC=C(C)C=C1 AK161770 [0,2,0,0,0,0|1,0,1]=4 720 B11R1.22 BrC1=CC=C(C(N)CO)C=C1 AK607944 [0,2,0,0,0,0|1,0,0]=3 721 B11R1.22 BrC1=CC=C([C@@H](N)CO)C=C1 AK172682 [0,2,0,0,0,0|1,0,0]=3 722 B11R1.22 C1=C(C=CC(=C1)C)C(CBr)=O AK-73063 [0,2,0,0,0,0|1,0,1]=4 723 B11R1.22 C1=C(C=CC(=C1)Cl)C(CC)=O AK-47430 [0,2,0,0,0,0|1,0,1]=4 724 B11R1.22 CC1=CC=C([C@H](N)CO)C=C1 AK544255 [0,2,0,0,0,0|1,0,0]=3 725 B11R1.22 CCC(C1=CC=C(Br)C=C1)=O AK133038 [0,2,0,0,0,0|1,0,1]=4 726 B11R1.22 CCC(C1=CC=C(Br)C=C1)N AK116183 [0,2,0,0,0,0|1,0,0]=3 727 B11R1.22 CCC(C1=CC=C(F)C=C1)=O AK-77665 [0,2,0,0,0,0|1,0,1]=4 728 B11R1.22 CCC(C1=CC=C(I)C=C1)=O AK149241 [0,2,0,0,0,0|1,0,1]=4 729 B11R1.22 CCC(C1=CC=C(O)C=C1)=O AK-44068 [0,2,0,0,0,0|1,0,1]=4 730 B11R1.22 CC[C@@H](C1=CC=C(Br)C=C1)N AK607954 [0,2,0,0,0,0|1,0,0]=3 731 B11R1.22 CC[C@@H](C1=CC=C(Cl)C=C1)N AK-53923 [0,2,0,0,0,0|1,0,0]=3 732 B11R1.22 CC[C@H](C1=CC=C(Br)C=C1)N AK172711 [0,2,0,0,0,0|1,0,0]=3 733 B11R1.22 CC[C@H](C1=CC=C(C)C=C1)N AK-93290 [0,2,0,0,0,0|1,0,0]=3 734 B11R1.22 CC[C@H](C1=CC=C(Cl)C=C1)N AK133438 [0,2,0,0,0,0|1,0,0]=3 735 B11R1.22 C[C@@H](NC)C1=CC=C(Cl)C=C1 AK607981 [0,2,0,0,0,0|2,0,0]=4 736 B11R1.22 C[C@H](NC)C1=CC=C(Br)C=C1 AK172763 [0,2,0,0,0,0|2,0,0]=4 737 B11R1.22 C[C@H](NC)C1=CC=C(Cl)C=C1 AK607980 [0,2,0,0,0,0|2,0,0]=4 738 B11R1.22 ClC1=CC=C(C(CN)=O)C=C1 AK-27718 [0,2,0,0,0,0|0,0,1]=3 739 B11R1.22 ClC1=CC=C([C@@H](N)CO)C=C1 AK486779 [0,2,0,0,0,0|1,0,0]=3 740 B11R1.22 ClC1=CC=C([C@@H](N)CO)C=N1 AK684516 [0,2,0,0,0,0|2,0,0]=4 741 B11R1.22 ClC1=CC=C([C@H](N)CO)C=C1 AK607971 [0,2,0,0,0,0|1,0,0]=3 742 B11R1.22 FC1=CC=C([C@@H](N)CO)C=C1 AK117861 [0,2,0,0,0,0|1,0,0]=3 743 B11R1.22 FC1=CC=C([C@H](N)CO)C=C1 AK117823 [0,2,0,0,0,0|1,0,0]=3 744 B11R1.22 FC1=CC=C([C@H](N)CO)C=C1 AK117858 [0,2,0,0,0,0|1,0,0]=3 745 B11R1.22 IC1=CC=C(C(CBr)=O)C=C1 AK-25760 [0,2,0,0,0,0|1,0,1]=4 746 B11R1.22 NC(C1=CC=C(F)C=C1)CC AK470003 [0,2,0,0,0,0|1,0,0]=3 747 B11R1.22 NC1=CC=C(C(C)CC)C=C1 AK-76838 [0,2,0,0,0,0|1,0,0]=3 748 B11R1.22 NCC(=O)C1=CC=C(C=C1)F AK-32227 [0,2,0,0,0,0|0,0,1]=3 749 B11R1.22 NCC(=O)C1=CC=C(O)C=C1 AK101127 [0,2,0,0,0,0|0,0,1]=3 750 B11R1.22 NCC(C1=CC=C(Br)C=C1)=O AK-42272 [0,2,0,0,0,0|0,0,1]=3 751 B11R1.22 NCC(O)C1=CC=C(O)C=C1 AK163650 [0,2,0,0,0,0|0,0,0]=2 752 B11R1.22 NNC(=O)C1=CC=C(F)C=C1 AK-76998 [0,2,0,0,0,0|1,0,1]=4 753 B11R1.22 N[C@@H](C1=CC=C(F)C=C1)CC AK-42100 [0,2,0,0,0,0|1,0,0]=3 754 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 AK101499 [0,2,0,0,0,0|1,0,0]=3 755 B11R1.22 N[C@H](C1=CC=C(F)C=C1)CC AK-42091 [0,2,0,0,0,0|1,0,0]=3 756 B11R1.22 O=C(C1=CC=C(Br)C=C1)CCl AK-41703 [0,2,0,0,0,0|1,0,1]=4 757 B11R1.22 OC1=CC=C(C(C)CN)C=C1 AK-47813 [0,2,0,0,0,0|0,0,0]=2 758 B11R1.22 OC1=CC=C(C=C1)C(=O)CBr AK-34343 [0,2,0,0,0,0|1,0,1]=4 759 B11R1.22 OC1=CC=C([C@@H](N)CO)C=C1 AK544250 [0,2,0,0,0,0|1,0,0]=3 760 B11R1.22 OC1=CC=C([C@H](N)CO)C=C1 AK608028 [0,2,0,0,0,0|1,0,0]=3 761 B11R1.22 OCC(O)C1=CC=C(Br)C=C1 AK110007 [0,2,0,0,0,0|1,0,0]=3 762 B11R1.22 OC[C@@H](N)C1=CC=C(Br)C=C1 AK338220 [0,2,0,0,0,0|1,0,0]=3 763 B11R1.22 OC[C@H](N)C1=CC=C(Br)C=C1 AK202041 [0,2,0,0,0,0|1,0,0]=3 764 B11R1.81 CC1=C(CC#N)C=CC(Br)=C1 AK103249 [0,2,0,0,0,0|0,0,2]=4 765 B11R1.81 CCCC1=C(O)C=C(O)C=C1 AK-81520 [0,2,0,0,0,0|1,0,0]=3 766 B11R1.81 CNCC1=C(Cl)C=C(Cl)C=C1 AK-16707 [0,2,0,0,0,0|2,0,0]=4 767 B11R1.81 CNCC1=CC=C(Cl)C=C1Cl AK-16701 [0,2,0,0,0,0|2,0,0]=4 768 B11R1.81 CNCC1=CC=C(F)C=C1F AK-80365 [0,2,0,0,0,0|2,0,0]=4 769 B11R1.81 ClC1=CC(Cl)=C(CC#N)C=C1 AK-88981 [0,2,0,0,0,0|0,0,2]=4 770 B11R1.81 ClC1=CC=C(C(Cl)=C1)CCO AK-39241 [0,2,0,0,0,0|1,0,0]=3 771 B11R1.81 N#CCC1=CC=C(Br)C=C1F AK-32213 [0,2,0,0,0,0|0,0,2]=4 772 B11R1.81 N#CCC1=CC=C(C)C=C1F AK-35439 [0,2,0,0,0,0|0,0,2]=4 773 B11R1.81 N#CCC1=CC=C(Cl)C=C1Br AK150725 [0,2,0,0,0,0|0,0,2]=4 774 B11R1.81 N#CCC1=CC=C(F)C=C1Br AK-86076 [0,2,0,0,0,0|0,0,2]=4 775 B11R1.81 N#CCC1=CC=C(F)C=C1F AK-41724 [0,2,0,0,0,0|0,0,2]=4 776 B11R1.81 NC1=CC(C)=CC=C1OCC AK327686 [0,2,0,0,0,0|2,0,0]=4 777 B11R1.81 NC1=CC=C(COC)C(F)=C1 AK162067 [0,2,0,0,0,0|2,0,0]=4 778 B11R1.81 NC1=CC=C(OCC)C(Cl)=C1 AK121334 [0,2,0,0,0,0|2,0,0]=4 779 B11R1.81 NC1=CC=C(OCC)C(N)=C1 AK-93490 [0,2,0,0,0,0|2,0,0]=4 780 B11R1.81 NCCC1=C(F)C=C(F)C=C1 AK-58290 [0,2,0,0,0,0|0,0,0]=2 781 B11R1.81 NOCC1=CC=C(Cl)C=C1Cl AK124094 [0,2,0,0,0,0|1,0,0]=3 782 B11R1.83 BrCCC1=CC=C(C=C1)C#N AK-36209 [0,2,0,0,0,0|1,0,0]=3 783 B11R1.83 C(#C)C1=CC=C(C=C1)CC#N AK-46564 [0,2,0,0,0,0|0,0,2]=4 784 B11R1.83 C(C)OC1=CC=C(C=C1)C#C AK-43544 [0,2,0,0,0,0|2,0,0]=4 785 B11R1.83 C(CC)C1=CC=C(C=C1)C#C AK-45627 [0,2,0,0,0,0|1,0,0]=3 786 B11R1.83 C1=CC(=CC=C1OC)CNC AK-16703 [0,2,0,0,0,0|2,0,0]=4 787 B11R1.83 CCC1=CN=C(CCO)C=C1 AK-40455 [0,2,0,0,0,0|2,0,0]=4 788 B11R1.83 CCNC1=CC=C(C=O)C=C1 AK-80937 [0,2,0,0,0,0|2,0,0]=4 789 B11R1.83 CNCC1=CC=C(C=C1)C#N AK-89888 [0,2,0,0,0,0|2,0,0]=4 790 B11R1.83 CNCC1=CC=C(CC)C=C1 AK-78778 [0,2,0,0,0,0|2,0,0]=4 791 B11R1.83 COC1=CC=C(CCO)C=C1 AK-53969 [0,2,0,0,0,0|1,0,0]=3 792 B11R1.83 COC1=CC=C(CNC)C=C1 AK-16702 [0,2,0,0,0,0|2,0,0]=4 793 B11R1.83 COC1=CN=C(CCN)C=C1 AK160805 [0,2,0,0,0,0|1,0,0]=3 794 B11R1.83 N#CCC1=CC=C(C#N)C=C1 AK307737 [0,2,0,0,0,0|0,0,2]=4 795 B11R1.83 NCC1=CC=C(CCC)C=C1 AK-79061 [0,2,0,0,0,0|1,0,0]=3 796 B11R1.83 NCC1=CC=C(OCC)C=C1 AK116322 [0,2,0,0,0,0|2,0,0]=4 797 B11R1.83 NCCC1=CC=C(C#N)C=C1 AK-33612 [0,2,0,0,0,0|0,0,0]=2 798 B11R1.83 NNCC1=CC=C(OC)C=C1 AK-33977 [0,2,0,0,0,0|1,0,0]=3 799 B11R1.83 O=CC1=CC=C(CCC)C=C1 AK115629 [0,2,0,0,0,0|1,0,0]=3 800 B11R1.83 O=CCC1=CC=C(OC)C=C1 AK-44388 [0,2,0,0,0,0|1,0,1]=4 801 B11R1.83 OCCC1=CC=C(C=O)C=C1 AK-82074 [0,2,0,0,0,0|1,0,0]=3 802 B11R1.83 ONCC1=CC=C(OC)C=C1 AK123262 [0,2,0,0,0,0|2,0,0]=4 803 B11R1.83 [NH3+]OCC1=CC=C(OC)C=C1 AK-96413 [0,2,0,0,0,0|1,0,1]=4 804 B11R1.192 BrC1=C(C=C(C=C1)CC#N)F AK-53738 [0,2,0,0,0,0|0,0,2]=4 805 B11R1.192 C1=C(C=CC(=C1Cl)Cl)CC#N AK-46738 [0,2,0,0,0,0|0,0,2]=4 806 B11R1.192 C1=C(C=CC(=C1Cl)Cl)CNC AK-16705 [0,2,0,0,0,0|2,0,0]=4 807 B11R1.192 CC1=CC(OCC)=CC=C1Br AK-86746 [0,2,0,0,0,0|2,0,0]=4 808 B11R1.192 CC1=CC=C(CCN)C=C1C AK-33676 [0,2,0,0,0,0|0,0,0]=2 809 B11R1.192 CCCC1=CC=C(Br)C(F)=C1 AK-86763 [0,2,0,0,0,0|1,0,0]=3 810 B11R1.192 CCOC1=CC=C(Br)C(Cl)=C1 AK-86745 [0,2,0,0,0,0|2,0,0]=4 811 B11R1.192 CNCC1=CC=C(C)C(C)=C1 AK-82567 [0,2,0,0,0,0|2,0,0]=4 812 B11R1.192 COCC1=CC=C(F)C(Br)=C1 AK136514 [0,2,0,0,0,0|2,0,0]=4 813 B11R1.192 ClC1=C(C=CC(=C1)CC#N)F AK-36021 [0,2,0,0,0,0|0,0,2]=4 814 B11R1.192 FC1=CC(CCBr)=CC=C1F AK108344 [0,2,0,0,0,0|1,0,0]=3 815 B11R1.192 FC1=CC(OCC)=CC=C1Br AK-61436 [0,2,0,0,0,0|2,0,0]=4 816 B11R1.192 FC1=CC=C(CCN)C=C1F AK120581 [0,2,0,0,0,0|0,0,0]=2 817 B11R1.192 N#CCC1=CC=C(Cl)C(F)=C1 AK-34355 [0,2,0,0,0,0|0,0,2]=4 818 B11R1.192 N#CCC1=CC=C(F)C(Br)=C1 AK135460 [0,2,0,0,0,0|0,0,2]=4 819 B11R1.192 N#CCC1=CC=C(F)C(F)=C1 AK-41734 [0,2,0,0,0,0|0,0,2]=4 820 B11R1.192 OC1=CC=C(CCN)C=C1O AK142758 [0,2,0,0,0,0|0,0,0]=2 821 B11R1.192 OCCC1=CC(Cl)=C(Cl)C=C1 AK-45905 [0,2,0,0,0,0|1,0,0]=3 822 B11R1.13 ClC1=C(CCN)C=CC=C1Cl AK-16706 [0,2,0,0,0,0|0,0,0]=2 823 B11R1.13 ClC1=C(Cl)C(CCO)=CC=C1 AK-86365 [0,2,0,0,0,0|1,0,0]=3 824 B11R1.13 FC1=C(CC#N)C=CC=C1Cl AK-34416 [0,2,0,0,0,0|0,0,2]=4 825 B11R1.13 FC1=C(F)C(OCC)=CC=C1 AK-45507 [0,2,0,0,0,0|2,0,0]=4 826 B11R1.13 N#CCC1=CC=CC(Cl)=C1Cl AK117217 [0,2,0,0,0,0|0,0,2]=4 827 B11R1.13 N#CCC1=CC=CC(F)=C1F AK-53692 [0,2,0,0,0,0|0,0,2]=4 828 B11R1.17 C1(=C(C=CC=C1)OCC#N)C AK-47402 [0,2,0,0,0,0|0,0,2]=4 829 B11R1.17 CCCOC1=C(O)C=CC=C1 AK111500 [0,2,0,0,0,0|1,0,0]=3 830 B11R1.17 N#CCCC1=CC=CC=C1Cl AK115012 [0,2,0,0,0,0|0,0,1]=3 831 B11R1.17 OC1=CC=CC=C1OCC=C AK544045 [0,2,0,0,0,0|1,0,1]=4 832 B11R1.17 OCCCC1=CC=CC=C1Br AK-48306 [0,2,0,0,0,0|1,0,0]=3 833 B11R1.41 CNCC1=CC=CC=C1OC AK-89681 [0,2,0,0,0,0|2,0,0]=4 834 B11R1.41 CNCC1=CC=CC=C1OC AK161757 [0,2,0,0,0,0|2,0,0]=4 835 B11R1.41 COC1=CC=CC=C1CCBr AK-77286 [0,2,0,0,0,0|1,0,0]=3 836 B11R1.41 COC1=CC=CC=C1CCO AK118734 [0,2,0,0,0,0|1,0,0]=3 837 B11R1.41 N#CC1=CC=CC=C1CC#N AK122013 [0,2,0,0,0,0|0,0,2]=4 838 B11R1.41 N#CC1=CC=CC=C1OCC AK158954 [0,2,0,0,0,0|2,0,0]=4 839 B11R1.41 O=CC1=CC=CC=C1OCC AK156421 [0,2,0,0,0,0|2,0,0]=4 840 B11R1.41 OCC1=CC=CC=C1CNC AK146712 [0,2,0,0,0,0|2,0,0]=4 841 B11R1.86 C1=C(CC(=O)C)C(=CC=C1)Br AK-47295 [0,2,0,0,0,0|1,0,1]=4 842 B11R1.86 C1=C(OC(C)C)C(=CC=C1)N AK-39887 [0,2,0,0,0,0|2,0,0]=4 843 B11R1.86 C1=CC=CC(=C1CC(O)=O)C AK-45537 [0,2,0,0,0,0|1,0,1]=4 844 B11R1.86 C1=CC=CC(=C1CC(O)=O)O AK-47284 [0,2,0,0,0,0|1,0,1]=4 845 B11R1.86 CC(C)OC1=CC=CC=C1Br AK-45390 [0,2,0,0,0,0|2,0,0]=4 846 B11R1.86 CC(CC1=CC=CC=C1F)=O AK117069 [0,2,0,0,0,0|1,0,1]=4 847 B11R1.86 FC(F)OC1=CC=CC=C1Br AK-61615 [0,2,0,0,0,0|2,0,0]=4 848 B11R1.86 IC1=C(C=CC=C1)CC(=O)O AK-73107 [0,2,0,0,0,0|1,0,1]=4 849 B11R1.86 IC1=CC=CC=C1OC(F)F AK136295 [0,2,0,0,0,0|2,0,0]=4 850 B11R1.86 O=C(O)CC1=CC=CC=C1Br AK-45376 [0,2,0,0,0,0|1,0,1]=4 851 B11R1.86 O=C(O)CC1=CC=CC=C1F AK-29262 [0,2,0,0,0,0|1,0,1]=4 852 B11R1.86 OC1=CC=CC=C1OC(F)F AK135667 [0,2,0,0,0,0|2,0,0]=4 853 B11R1.182 CC1=C(CC#N)C=C(F)C=C1 AK-37525 [0,2,0,0,0,0|0,0,2]=4 854 B11R1.182 CC1=CC(CC#N)=C(C)C=C1 AK-63581 [0,2,0,0,0,0|0,0,2]=4 855 B11R1.182 COCC1=CC(Br)=CC=C1F AK135092 [0,2,0,0,0,0|2,0,0]=4 856 B11R1.182 ClC1=CC=C(Cl)C(CC#N)=C1 AK-51238 [0,2,0,0,0,0|0,0,2]=4 857 B11R1.182 ClC1=CC=C(Cl)C(CCN)=C1 AK135196 [0,2,0,0,0,0|0,0,0]=2 858 B11R1.182 FC1=C(CC#N)C=C(Cl)C=C1 AK-36296 [0,2,0,0,0,0|0,0,2]=4 859 B11R1.182 FC1=CC(CC#N)=C(Br)C=C1 AK-36752 [0,2,0,0,0,0|0,0,2]=4 860 B11R1.182 FC1=CC(CC#N)=C(Cl)C=C1 AK-35010 [0,2,0,0,0,0|0,0,2]=4 861 B11R1.182 N#CCC1=CC(Br)=CC=C1F AK-94405 [0,2,0,0,0,0|0,0,2]=4 862 B11R1.182 NC1=CC=C(N)C=C1COC AK486936 [0,2,0,0,0,0|2,0,0]=4 863 B11R1.182 OCCC1=CC(Cl)=CC=C1Cl AK149274 [0,2,0,0,0,0|1,0,0]=3 864 B11R1.222 CC(C1=CC=CC=C1C)C#N AK165081 [0,2,0,0,0,0|0,0,2]=4 865 B11R1.222 CCC(C1=CC=CC=C1Cl)=O AK-86142 [0,2,0,0,0,0|1,0,1]=4 866 B11R1.222 CCC(C1=CC=CC=C1F)N AK544261 [0,2,0,0,0,0|1,0,0]=3 867 B11R1.222 CCC(C1=NC=CC=C1C)N AK670798 [0,2,0,0,0,0|2,0,0]=4 868 B11R1.222 CC[C@@H](C1=CC=CC=C1F)N AK134089 [0,2,0,0,0,0|1,0,0]=3 869 B11R1.222 ClC1=C(C(N)CO)C=CN=C1 AK501386 [0,2,0,0,0,0|2,0,0]=4 870 B11R1.222 ClC1=CC=CC=C1[C@H](N)CO AK548235 [0,2,0,0,0,0|1,0,0]=3 871 B11R1.222 FC1=CC=CC=C1C(CF)=O AK198962 [0,2,0,0,0,0|1,0,1]=4 872 B11R1.222 NC1=CC=CC=C1C(C)CC AK122191 [0,2,0,0,0,0|1,0,0]=3 873 B11R1.222 NCC(=O)C1=C(C=CC=C1)F AK-70904 [0,2,0,0,0,0|0,0,1]=3 874 B11R1.222 N[C@@H](C1=CC=CC=C1C)CC AK-42242 [0,2,0,0,0,0|1,0,0]=3 875 B11R1.222 N[C@H](C1=CC=CC=C1Cl)CC AK-42248 [0,2,0,0,0,0|1,0,0]=3 876 B11R1.222 O=C(NN)C1=CC=CC=C1O AK167835 [0,2,0,0,0,0|1,0,1]=4 877 B11R1.222 O[C@@H](C1=CC=CC=C1Cl)CO AK-44949 [0,2,0,0,0,0|1,0,0]=3 878 B11R1.605 C1=C(C(=C(C=C1)Cl)CC#N)F AK-29503 [0,2,0,0,0,0|0,0,2]=4 879 B11R1.605 C1=CC=C(C(=C1Cl)CC#N)Cl AK-34677 [0,2,0,0,0,0|0,0,2]=4 880 B11R1.605 CCOC1=C(F)C=CC=C1F AK-87527 [0,2,0,0,0,0|2,0,0]=4 881 B11R1.605 CNCC1=C(Cl)C=CC=C1Cl AK-16708 [0,2,0,0,0,0|2,0,0]=4 882 B11R1.605 ClC1=C(C(Cl)=CC=C1)CCO AK-51237 [0,2,0,0,0,0|1,0,0]=3 883 B11R1.605 N#CCC1=C(F)C=CC=C1F AK-36001 [0,2,0,0,0,0|0,0,2]=4 884 B11R1.23 BrC1=CC(C(N)CO)=CC=C1 AK321205 [0,2,0,0,0,0|1,0,0]=3 885 B11R1.23 BrC1=CC([C@@H](N)CO)=CC=C1 AK160001 [0,2,0,0,0,0|1,0,0]=3 886 B11R1.23 BrC1=CC([C@H](N)CO)=CC=C1 AK167556 [0,2,0,0,0,0|1,0,0]=3 887 B11R1.23 C1=C(C=CC=C1F)C(CBr)=O AK-45729 [0,2,0,0,0,0|1,0,1]=4 888 B11R1.23 CC(NC)C1=CC=CC(Br)=C1 AK608016 [0,2,0,0,0,0|2,0,0]=4 889 B11R1.23 CC1=CC(C(CBr)=O)=CC=C1 AK-43564 [0,2,0,0,0,0|1,0,1]=4 890 B11R1.23 CC1=CC([C@H](N)CO)=CC=C1 AK548236 [0,2,0,0,0,0|1,0,0]=3 891 B11R1.23 CCC(=O)C1=CC=CC(Cl)=C1 AK101591 [0,2,0,0,0,0|1,0,1]=4 892 B11R1.23 CCC(C1=CC=CC(F)=C1)=O AK548314 [0,2,0,0,0,0|1,0,1]=4 893 B11R1.23 CCC(C1=CC=CC(O)=C1)=O AK-45536 [0,2,0,0,0,0|1,0,1]=4 894 B11R1.23 CC[C@@H](C1=CC=CC(Br)=C1)N AK687502 [0,2,0,0,0,0|1,0,0]=3 895 B11R1.23 CC[C@@H](C1=CC=CC(F)=C1)N AK134091 [0,2,0,0,0,0|1,0,0]=3 896 B11R1.23 CC[C@H](C1=CC=CC(C)=C1)N AK134022 [0,2,0,0,0,0|1,0,0]=3 897 B11R1.23 CC[C@H](C1=CC=CC(Cl)=C1)N AK153385 [0,2,0,0,0,0|1,0,0]=3 898 B11R1.23 CC[C@H](C1=CC=CC(F)=C1)N AK-42095 [0,2,0,0,0,0|1,0,0]=3 899 B11R1.23 ClC1=CC(C(CBr)=O)=CC=C1 AK-47073 [0,2,0,0,0,0|1,0,1]=4 900 B11R1.23 ClC1=CC([C@@H](N)CO)=CC=C1 AK143424 [0,2,0,0,0,0|1,0,0]=3 901 B11R1.23 ClC1=CC([C@H](N)CO)=CC=C1 AK143359 [0,2,0,0,0,0|1,0,0]=3 902 B11R1.23 ClC1=CC([C@H](N)CO)=CC=C1 AK172770 [0,2,0,0,0,0|1,0,0]=3 903 B11R1.23 FC1=CC([C@@H](N)CO)=CC=C1 AK607953 [0,2,0,0,0,0|1,0,0]=3 904 B11R1.23 FC1=CC([C@H](N)CO)=CC=C1 AK159103 [0,2,0,0,0,0|1,0,0]=3 905 B11R1.23 FC1=CC([C@H](N)CO)=CC=C1 AK548219 [0,2,0,0,0,0|1,0,0]=3 906 B11R1.23 FC1=CC=CC(C(N)CO)=N1 AK543202 [0,2,0,0,0,0|2,0,0]=4 907 B11R1.23 NNC(=O)C1=CC(Br)=CC=C1 AK-39193 [0,2,0,0,0,0|1,0,1]=4 908 B11R1.23 NNC(=O)C1=CC(Cl)=CC=C1 AK-60929 [0,2,0,0,0,0|1,0,1]=4 909 B11R1.23 OC1=CC=CC(C(N)CO)=C1 AK608024 [0,2,0,0,0,0|1,0,0]=3 910 B11R1.23 OC[C@H](O)C1=CC(Cl)=CC=C1 AK-45027 [0,2,0,0,0,0|1,0,0]=3 911 B11R1.23 O[C@@H](CCl)C1=CC(Cl)=CC=C1 AK-79203 [0,2,0,0,0,0|1,0,0]=3 912 B11R1.24 CCNCC1=CC=CC(Cl)=C1 AK158029 [0,2,0,0,0,0|1,0,0]=3 913 B11R1.24 CCNCC1=CC=CC(Cl)=C1 AK484893 [0,2,0,0,0,0|1,0,0]=3 914 B11R1.24 COCOC1=CC(F)=CC=C1 AK101350 [0,2,0,0,0,0|2,0,0]=4 915 B11R1.24 ClC1=CC=CC(NCCO)=N1 AK-66021 [0,2,0,0,0,0|2,0,0]=4 916 B11R1.24 OCCCC1=CC=CC(Br)=C1 AK106570 [0,2,0,0,0,0|1,0,0]=3 917 B11R1.34 BrC1=CC(CC#N)=CC(Br)=C1 AK-41509 [0,2,0,0,0,0|0,0,2]=4 918 B11R1.34 CCOC1=CC(F)=CC(Br)=C1 AK102974 [0,2,0,0,0,0|2,0,0]=4 919 B11R1.34 CNCC1=CC(Cl)=CC(Cl)=C1 AK-43704 [0,2,0,0,0,0|2,0,0]=4 920 B11R1.34 FC1=CC(Br)=CC(CC=C)=C1 AK187914 [0,2,0,0,0,0|1,0,1]=4 921 B11R1.34 FC1=CC(F)=CC(CC#N)=C1 AK-45304 [0,2,0,0,0,0|0,0,2]=4 922 B11R1.34 N#CCC1=CC(C)=CC(F)=C1 AK-64750 [0,2,0,0,0,0|0,0,2]=4 923 B11R1.34 N#CCC1=CC(Cl)=CC(Cl)=C1 AK-35481 [0,2,0,0,0,0|0,0,2]=4 924 B11R1.34 NCCC1=CC(Cl)=CC(Cl)=C1 AK110643 [0,2,0,0,0,0|0,0,0]=2 925 B11R1.157 C1=C(C=CC=C1Cl)CC(O)=O AK-47464 [0,2,0,0,0,0|1,0,1]=4 926 B11R1.157 C1=C(C=CC=C1F)CC(O)=O AK-72993 [0,2,0,0,0,0|1,0,1]=4 927 B11R1.157 C1=C(C=CC=C1O)CC(O)=O AK-48396 [0,2,0,0,0,0|1,0,1]=4 928 B11R1.157 CC(=O)CC1=CC(F)=CC=C1 AK-60937 [0,2,0,0,0,0|1,0,1]=4 929 B11R1.157 CC(C)CC1=CC(Br)=CC=C1 AK148389 [0,2,0,0,0,0|1,0,0]=3 930 B11R1.157 CC(CC1=CC=CC(Br)=C1)=O AK-94137 [0,2,0,0,0,0|1,0,1]=4 931 B11R1.157 CN(C)CC1=CC=CC(Br)=C1 AK130105 [0,2,0,0,0,0|2,0,0]=4 932 B11R1.157 FC(F)OC1=CC(Br)=CC=C1 AK-87088 [0,2,0,0,0,0|2,0,0]=4 933 B11R1.157 FC(OC1=CC=CC(=C1)N)F AK-34187 [0,2,0,0,0,0|2,0,0]=4 934 B11R1.157 O=C(N)CC1=CC=CC(Cl)=C1 AK-86174 [0,2,0,0,0,0|0,0,1]=3 935 B11R1.157 O=C(N)CC1=CC=CC(N)=C1 AK124849 [0,2,0,0,0,0|0,0,1]=3 936 B11R1.157 O=C(O)CC1=CC=CC(Br)=C1 AK-42053 [0,2,0,0,0,0|1,0,1]=4 937 B11R1.157 O=C(O)CC1=CC=CC(I)=C1 AK-61642 [0,2,0,0,0,0|1,0,1]=4 938 B11R1.189 CNCC1=CC=CC(OC)=C1 AK-89685 [0,2,0,0,0,0|2,0,0]=4 939 B11R1.189 COC1=CC=CC(CCO)=C1 AK-89566 [0,2,0,0,0,0|1,0,0]=3 940 B11R1.189 N#CC1=CC=CC(CNC)=C1 AK-89682 [0,2,0,0,0,0|2,0,0]=4 941 B11R1.189 N#CCC1=CC=CC(OC)=C1 AK-88692 [0,2,0,0,0,0|0,0,2]=4 942 B11R1.189 OCCC1=CC=CC(=C1)C#N AK100051 [0,2,0,0,0,0|1,0,0]=3 943 B11R1.7 CC(C1=CC=CC=C1)(C)CN AK117158 [0,2,0,0,0,0|0,0,0]=2 944 B11R1.7 CC(O)(C1=CC=CC=C1)C#C AK305661 [0,2,0,0,0,0|1,0,1]=4 945 B11R1.7 CCC(C1=CC=CC=C1)(C)C AK-96688 [0,2,0,0,0,0|1,0,0]=3 946 B11R1.7 O=S(C1=CC=CC=C1)(CCl)=O AK116676 [0,2,0,0,0,0|2,0,0]=4 947 B11R1.12 COC(C1=CC=CC=C1)CO AK-49663 [0,2,0,0,0,0|1,0,0]=3 948 B11R1.12 OCC(C1=CC=CC=C1)CO AK-39914 [0,2,0,0,0,0|1,0,0]=3 949 B11R1.16 C=CC[C@H](C1=CC=CC=C1)N AK172643 [0,2,0,0,0,0|1,0,0]=3 950 B11R1.16 CCCC(C1=CC=CC=C1)=O AK164430 [0,2,0,0,0,0|1,0,0]=3 951 B11R1.16 CCCC(C1=CC=CN=C1)=O AK123326 [0,2,0,0,0,0|2,0,0]=4 952 B11R1.16 CCCC(C1=CC=NC=C1)N AK687508 [0,2,0,0,0,0|2,0,0]=4 953 B11R1.16 ClCCC(O)C1=CC=CC=C1 AK-40050 [0,2,0,0,0,0|1,0,0]=3 954 B11R1.16 N#CCC(C1=CC=CC=C1)=O AK-43072 [0,2,0,0,0,0|0,0,2]=4 955 B11R1.16 N#CCC(O)C1=CC=CC=C1 AK-63411 [0,2,0,0,0,0|0,0,1]=3 956 B11R1.16 N[C@@H](C1=CC=CC=C1)CCO AK-33656 [0,2,0,0,0,0|1,0,0]=3 957 B11R1.16 O=C(OCCl)C1=CC=CC=C1 AK-86220 [0,2,0,0,0,0|1,0,1]=4 958 B11R1.16 OC(C1=CC=CC=C1)CCN AK206233 [0,2,0,0,0,0|0,0,0]=2 959 B11R1.16 OCCC(N)C1=CC=CC=C1 AK-33310 [0,2,0,0,0,0|1,0,0]=3 960 B11R1.16 OCC[C@H](N)C1=CC=CC=C1 AK-36482 [0,2,0,0,0,0|1,0,0]=3 961 B11R1.16 O[C@@H](C1=CC=CC=C1)CCCl AK-25234 [0,2,0,0,0,0|1,0,0]=3 962 B11R1.16 O[C@H](C1=CC=CC=C1)CCCl AK-31989 [0,2,0,0,0,0|1,0,0]=3 963 B11R1.36 C1=C(C(C(O)=O)Br)C=CC=C1 AK-47433 [0,2,0,0,0,0|1,0,1]=4 964 B11R1.36 C1=C(C(C(O)=O)C)C=CC=C1 AK-50598 [0,2,0,0,0,0|1,0,1]=4 965 B11R1.36 C1=CC=CC=C1C(C(O)=O)O AK-54084 [0,2,0,0,0,0|1,0,1]=4 966 B11R1.36 CC(C)[C@@H](C1=CC=CC=C1)N AK-42222 [0,2,0,0,0,0|1,0,0]=3 967 B11R1.36 CC(C)[C@H](C1=CC=CC=C1)N AK-41685 [0,2,0,0,0,0|1,0,0]=3 968 B11R1.36 C[C@@H](C1=CC=CC=C1)C(O)=O AK-42526 [0,2,0,0,0,0|1,0,1]=4 969 B11R1.36 C[C@@H](O)[C@H](N)C1=CC=CC=C1 AK608029 [0,2,0,0,0,0|1,0,0]=3 970 B11R1.36 C[C@H](C1=CC=CC=C1)C(O)=O AK-42515 [0,2,0,0,0,0|1,0,1]=4 971 B11R1.36 C[C@H](O)[C@H](N)C1=CC=CC=C1 AK608030 [0,2,0,0,0,0|1,0,0]=3 972 B11R1.36 N[C@H](C(=O)N)C1=CC=CC=C1 AK-35984 [0,2,0,0,0,0|0,0,1]=3 973 B11R1.36 O=C(Cl)[C@H](N)C1=CC=CC=C1 AK-48226 [0,2,0,0,0,0|1,0,1]=4 974 B11R1.36 O=C(N)C(O)C1=CC=CC=C1 AK198609 [0,2,0,0,0,0|0,0,1]=3 975 B11R1.36 O=C(N)[C@H](N)C1=CC=CC=C1 AK-70916 [0,2,0,0,0,0|0,0,1]=3 976 B11R1.36 O=C(O)C(Cl)C1=CC=CC=C1 AK107681 [0,2,0,0,0,0|1,0,1]=4 977 B11R1.36 O=C(O)C(N)C1=CC=CC=C1 AK-46549 [0,2,0,0,0,0|1,0,1]=4 978 B11R1.36 O=C(O)[C@@H](N)C1=CC=CC=C1 AK-48119 [0,2,0,0,0,0|1,0,1]=4 979 B11R1.36 O=C(O)[C@H](N)C1=CC=CC=C1 AK-44130 [0,2,0,0,0,0|1,0,1]=4 980 B11R1.36 O=C(O)[C@H](N)C1=CC=CC=C1 AK105883 [0,2,0,0,0,0|1,0,1]=4 981 B11R1.36 [C@@H](O)(C1=CC=CC=C1)C(=O)O AK-47567 [0,2,0,0,0,0|1,0,1]=4 982 B11R1.36 [C@H](C1=CC=CC=C1)(C(O)=O)O AK-42339 [0,2,0,0,0,0|1,0,1]=4 983 B11R1.28 BrCCOCC1=CC=CC=C1 AK-47866 [0,2,0,0,0,0|1,0,0]=3 984 B11R1.28 C(C1=CC=CC=C1)OCCN AK-34948 [0,2,0,0,0,0|0,0,0]=2 985 B11R1.28 C1=C(CCCCO)C=CC=C1 AK-34737 [0,2,0,0,0,0|1,0,0]=3 986 B11R1.28 C1=C(OCCCBr)C=CC=C1 AK-45305 [0,2,0,0,0,0|1,0,0]=3 987 B11R1.28 CCCCCC1=NC=CC=C1 AK116759 [0,2,0,0,0,0|2,0,0]=4 988 B11R1.28 CCCNCC1=CC=CC=C1 AK-90312 [0,2,0,0,0,0|1,0,0]=3 989 B11R1.28 ClCCCCC1=CC=NC=C1 AK101244 [0,2,0,0,0,0|2,0,0]=4 990 B11R1.28 N#CCNCC1=CC=CC=C1 AK102724 [0,2,0,0,0,0|0,0,1]=3 991 B11R1.28 NCCOCC1=CC=CC=C1 AK174588 [0,2,0,0,0,0|0,0,0]=2 992 B11R1.28 NCCSSC1=NC=CC=C1 AK117721 [0,2,0,0,0,0|1,0,0]=3 993 B11R1.28 O=CCOCC1=CC=CC=C1 AK-54919 [0,2,0,0,0,0|1,0,0]=3 994 B11R1.28 OCCC#CC1=CC=NC=C1 AK146717 [0,2,0,0,0,0|2,0,0]=4 995 B11R1.28 OCCC#CC1=NC=CC=C1 AK146719 [0,2,0,0,0,0|2,0,0]=4 996 B11R1.28 OCCCCC1=CC=CN=C1 AK146720 [0,2,0,0,0,0|2,0,0]=4 997 B11R1.28 OCCCCC1=CC=NC=C1 AK-83298 [0,2,0,0,0,0|2,0,0]=4 998 B11R1.28 OCCCCC1=NC=CC=C1 AK139999 [0,2,0,0,0,0|2,0,0]=4 999 B11R1.28 OCCNCC1=CC=CC=C1 AK105875 [0,2,0,0,0,0|1,0,0]=3 1000 B11R1.28 OCCOCC1=CC=CC=C1 AK110808 [0,2,0,0,0,0|1,0,0]=3 1001 B11R1.40 C=C[C@@H](N)CC1=CC=CC=C1 AK142273 [0,2,0,0,0,0|0,0,0]=2 1002 B11R1.40 NNC(=O)CC1=CC=CC=C1 AK-77117 [0,2,0,0,0,0|0,0,1]=3 1003 B11R1.40 O=C(NC)CC1=CC=CN=C1 AK175433 [0,2,0,0,0,0|1,0,1]=4 1004 B11R1.40 O=C(NC1=CC=CC=C1)CCl AK-95957 [0,2,0,0,0,0|1,0,1]=4 1005 B11R1.40 O=C(NN)CC1=CC=NC=C1 AK110454 [0,2,0,0,0,0|1,0,1]=4 1006 B11R1.40 O=C(OC)CC1=CC=CC=C1 AK163377 [0,2,0,0,0,0|1,0,1]=4 1007 B11R1.40 O=C(OC1=CC=CC=C1)CBr AK105971 [0,2,0,0,0,0|1,0,1]=4 1008 B11R1.40 OCC(N)CC1=CC=CC=C1 AK-33528 [0,2,0,0,0,0|0,0,0]=2 1009 B11R1.40 OC[C@@H](N)CC1=CC=CC=C1 AK-46725 [0,2,0,0,0,0|0,0,0]=2 1010 B11R1.40 OC[C@H](N)CC1=CC=CC=C1 AK-45609 [0,2,0,0,0,0|0,0,0]=2 1011 B11R1.91 N=C(N)SCC1=CC=CC=C1 AK307386 [0,2,0,0,0,0|0,0,1]=3 1012 B11R1.91 NC(OCC1=CC=CC=C1)=O AK-77001 [0,2,0,0,0,0|0,0,1]=3 1013 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 AK109324 [0,2,0,0,0,0|1,0,0]=3 1014 B11R1.91 O=C(N)CCC1=CC=CC=C1 AK392491 [0,2,0,0,0,0|0,0,0]=2 1015 B11R1.91 O=C(N)\C=C\C1=CC=CC=C1 AK112937 [0,2,0,0,0,0|0,0,2]=4 1016 B11R1.91 O=C(O)CCC1=CC=CC=C1 AK-94756 [0,2,0,0,0,0|1,0,0]=3 1017 B11R1.91 O=C([O-])COC1=CC=CC=C1 AK-96067 [0,2,0,0,0,0|1,0,1]=4 1018 B11R1.91 OB(CCC1=CC=CC=C1)O AK-61775 [0,2,0,0,0,0|1,0,0]=3 1019 B11R1.91 OC(=O)COC1=CC=CC=C1 AK-76874 [0,2,0,0,0,0|1,0,1]=4 1020 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 AK106161 [0,2,0,0,0,0|2,0,0]=4 1021 B11R1.509 C[N+](C)(CC1=CC=CC=C1)C AK-76496 [0,2,0,0,0,0|2,0,0]=4 1022 B11R1.509 C[N+](CC1=CC=CC=C1)(C)C AK-44880 [0,2,0,0,0,0|2,0,0]=4 1023 B11R1.509 F[B-](F)(CC1=CC=CC=C1)F AK105357 [0,2,0,0,0,0|2,0,0]=4 1024 B11R1.509 O=S(CC1=CC=CC=C1)(N)=O AK-32283 [0,2,0,0,0,0|1,0,0]=3 1025 B9R1.89 N#CC1C=CC=CC=C1 AK-58538 [0,0,1,1,0,0|0,0,2]=4 1026 B9R2.50 C1CC2=CC=CC=C12 AK109544 [1,0,0,1,0,0|0,0,0]=2 1027 B11R2.34 BrC1=CC=C(C=C1)C2CC2 AK-76692 [0,1,0,1,0,0|1,0,0]=3 1028 B11R2.34 BrC1=CN=C(C2CC2)C=C1 AK-83540 [0,1,0,1,0,0|2,0,0]=4 1029 B11R2.34 BrC1=NC=C(C2CC2)C=C1 AK131652 [0,1,0,1,0,0|2,0,0]=4 1030 B11R2.34 FC1=NC=C(C2CC2)C=C1 AK132519 [0,1,0,1,0,0|2,0,0]=4 1031 B11R2.34 NC1=CC=C(C2CC2)C=C1 AK124361 [0,1,0,1,0,0|1,0,0]=3 1032 B11R2.34 NC1=CC=C(C2CC2)N=C1 AK-64994 [0,1,0,1,0,0|2,0,0]=4 1033 B11R2.34 NC1=NC=C(C2CC2)C=C1 AK129592 [0,1,0,1,0,0|2,0,0]=4 1034 B11R2.34 O=C1C=CC(C2CC2)=CN1 AK132527 [0,1,0,1,0,0|2,0,0]=4 1035 B11R2.34 OC1=CC=C(C2CC2)C=C1 AK-80032 [0,1,0,1,0,0|1,0,0]=3 1036 B11R2.36 BrC1=CC2=C(C=C1)C=CC2 AK113550 [0,1,0,1,0,0|1,0,1]=4 1037 B11R2.36 BrC1=CC2=C(C=C1)CCN2 AK-30084 [0,1,0,1,0,0|0,0,0]=2 1038 B11R2.36 BrC1=CC2=C(C=C1)CCN2 AK-48733 [0,1,0,1,0,0|0,0,0]=2 1039 B11R2.36 BrC1=CC2=C(CNC2)C=C1 AK-33061 [0,1,0,1,0,0|2,0,0]=4 1040 B11R2.36 BrC1=CC2=C(NCC2)C=C1 AK-34182 [0,1,0,1,0,0|0,0,0]=2 1041 B11R2.36 BrC1=CC2=C(NN=C2)C=C1 AK-23818 [0,1,0,1,0,0|1,0,1]=4 1042 B11R2.36 BrC1=CC2=C(NN=N2)C=C1 AK-34667 [0,1,0,1,0,0|2,0,0]=4 1043 B11R2.36 BrC1=CC=C2C(=C1)[NH]N=C2 AK-26340 [0,1,0,1,0,0|1,0,1]=4 1044 B11R2.36 BrC1=CC=C2CC=CC2=C1 AK-36299 [0,1,0,1,0,0|1,0,1]=4 1045 B11R2.36 BrC1=CC=C2CCOC2=C1 AK114300 [0,1,0,1,0,0|1,0,0]=3 1046 B11R2.36 BrC1=CC=C2NC=NC2=C1 AK-29293 [0,1,0,1,0,0|1,0,1]=4 1047 B11R2.36 BrC1=CC=C2OCOC2=C1 AK-34440 [0,1,0,1,0,0|2,0,0]=4 1048 B11R2.36 BrC1=CN=C2NCCC2=C1 AK-27505 [0,1,0,1,0,0|1,0,0]=3 1049 B11R2.36 C1=C(C=C2C(=C1)[NH]N=C2)O AK-23554 [0,1,0,1,0,0|1,0,1]=4 1050 B11R2.36 C1=C(Cl)C=CC2=C1[NH]N=C2 AK-27924 [0,1,0,1,0,0|1,0,1]=4 1051 B11R2.36 C1=C2C(=CC=C1C)[NH]C=C2 AK-30411 [0,1,0,1,0,0|0,0,2]=4 1052 B11R2.36 C1=CC(=CC2=C1[NH]C=C2)Br AK-31145 [0,1,0,1,0,0|0,0,2]=4 1053 B11R2.36 C1=CC(=CC2=C1[NH]C=C2)Cl AK-32262 [0,1,0,1,0,0|0,0,2]=4 1054 B11R2.36 C1=CC2=C([NH]1)C=CC(=C2)O AK-39838 [0,1,0,1,0,0|0,0,2]=4 1055 B11R2.36 C1=C[NH]C2=C1C=CC(=C2)Br AK-24752 [0,1,0,1,0,0|0,0,2]=4 1056 B11R2.36 C1=N[NH]C2=C1C=C(C=C2)Cl AK-23822 [0,1,0,1,0,0|1,0,1]=4 1057 B11R2.36 C1=N[NH]C2=C1C=CC(=C2)N AK-27923 [0,1,0,1,0,0|1,0,1]=4 1058 B11R2.36 CC1=CC2=C(C=C1)C=CN2 AK-16454 [0,1,0,1,0,0|0,0,2]=4 1059 B11R2.36 CC1=CC2=C(NN=N2)C=C1 AK-58651 [0,1,0,1,0,0|2,0,0]=4 1060 B11R2.36 CC1=CC=C2C=NNC2=C1 AK-50052 [0,1,0,1,0,0|1,0,1]=4 1061 B11R2.36 CC1=CC=C2NC=NC2=C1 AK-87161 [0,1,0,1,0,0|1,0,1]=4 1062 B11R2.36 CC1=CC=C2[NH]N=CC2=C1 AK-22235 [0,1,0,1,0,0|1,0,1]=4 1063 B11R2.36 ClC1=CC2=C(C=C1)C=CN2 AK-27245 [0,1,0,1,0,0|0,0,2]=4 1064 B11R2.36 ClC1=CC2=C(C=C1)CCN2 AK-46887 [0,1,0,1,0,0|0,0,0]=2 1065 B11R2.36 ClC1=CC2=C(CC=C2)C=C1 AK115909 [0,1,0,1,0,0|1,0,1]=4 1066 B11R2.36 ClC1=CC2=C(CCN2)C=N1 AK-64618 [0,1,0,1,0,0|1,0,0]=3 1067 B11R2.36 ClC1=CC2=C(CNC2)C=C1 AK-68483 [0,1,0,1,0,0|2,0,0]=4 1068 B11R2.36 ClC1=CC=C2C(=C1)NCC2 AK-30184 [0,1,0,1,0,0|0,0,0]=2 1069 B11R2.36 ClC1=CC=C2C(NC=N2)=C1 AK206316 [0,1,0,1,0,0|1,0,1]=4 1070 B11R2.36 ClC1=CC=C2NN=NC2=C1 AK403403 [0,1,0,1,0,0|2,0,0]=4 1071 B11R2.36 ClC1=CC=C2OCCC2=C1 AK143639 [0,1,0,1,0,0|1,0,0]=3 1072 B11R2.36 ClC1=CN=C2NCCC2=C1 AK156379 [0,1,0,1,0,0|1,0,0]=3 1073 B11R2.36 ClC1=NC=C2C(NCC2)=N1 AK319541 [0,1,0,1,0,0|2,0,0]=4 1074 B11R2.36 FC1=CC2=C(C=C1)C=CN2 AK-26628 [0,1,0,1,0,0|0,0,2]=4 1075 B11R2.36 FC1=CC2=C(CCC2)C=C1 AK105101 [0,1,0,1,0,0|1,0,0]=3 1076 B11R2.36 FC1=CC2=C(CNC2)C=C1 AK-65030 [0,1,0,1,0,0|2,0,0]=4 1077 B11R2.36 FC1=CC2=C(NC=C2)C=C1 AK-30363 [0,1,0,1,0,0|0,0,2]=4 1078 B11R2.36 FC1=CC=C2C(=C1)[NH]N=C2 AK-25822 [0,1,0,1,0,0|1,0,1]=4 1079 B11R2.36 FC1=CC=C2NC=NC2=C1 AK126224 [0,1,0,1,0,0|1,0,1]=4 1080 B11R2.36 FC1=CC=C2[NH]N=CC2=C1 AK-23828 [0,1,0,1,0,0|1,0,1]=4 1081 B11R2.36 IC1=CC2=C(C=C1)N=CN2 AK-77092 [0,1,0,1,0,0|1,0,1]=4 1082 B11R2.36 IC1=CC2=C(C=CN2)C=C1 AK-31785 [0,1,0,1,0,0|0,0,2]=4 1083 B11R2.36 IC1=CC=C2C=NNC2=C1 AK-27921 [0,1,0,1,0,0|1,0,1]=4 1084 B11R2.36 IC1=CC=C2[NH]N=CC2=C1 AK-27902 [0,1,0,1,0,0|1,0,1]=4 1085 B11R2.36 NC1=CC2=C(NC=C2)C=C1 AK-35447 [0,1,0,1,0,0|0,0,2]=4 1086 B11R2.36 NC1=CC2=C(NN=C2)C=C1 AK-23803 [0,1,0,1,0,0|1,0,1]=4 1087 B11R2.36 NC1=CC2=C(OCO2)C=C1 AK-33266 [0,1,0,1,0,0|2,0,0]=4 1088 B11R2.36 NC1=CC=C2OCCC2=C1 AK109466 [0,1,0,1,0,0|1,0,0]=3 1089 B11R2.36 NC1=CC=C2OCOC2=C1 AK100870 [0,1,0,1,0,0|2,0,0]=4 1090 B11R2.36 O=C1C=C2NNC=C2C=C1 AK-39533 [0,1,0,1,0,0|1,0,1]=4 1091 B11R2.36 OC1=CC2=C(C=C1)CCN2 AK145623 [0,1,0,1,0,0|0,0,0]=2 1092 B11R2.36 OC1=CC2=C(NCC2)C=C1 AK-60844 [0,1,0,1,0,0|0,0,0]=2 1093 B11R2.36 OC1=CC=C2NC=NC2=C1 AK-45322 [0,1,0,1,0,0|1,0,1]=4 1094 B11R2.10 BrC1=NC2=C(N1)C=CC=C2 AK-35600 [0,1,0,1,0,0|1,0,1]=4 1095 B11R2.10 C1=C([NH]C2=CC=CC=C12)C AK-44448 [0,1,0,1,0,0|0,0,2]=4 1096 B11R2.10 C1=C2NC(=O)NC2=CC=C1 AK-45018 [0,1,0,1,0,0|1,0,1]=4 1097 B11R2.10 C1=CC=CC2=C1C=C(Br)C2 AK-47275 [0,1,0,1,0,0|1,0,1]=4 1098 B11R2.10 C1=CC=CC2=C1NC(S2)=O AK-49174 [0,1,0,1,0,0|1,0,1]=4 1099 B11R2.10 CC1=CC2=CC=CC=C2C1 AK-79371 [0,1,0,1,0,0|1,0,1]=4 1100 B11R2.10 CC1=NC2=CC=CC=C2N1 AK-44028 [0,1,0,1,0,0|1,0,1]=4 1101 B11R2.10 ClC1=NC2=CC=CC=C2N1 AK-26782 [0,1,0,1,0,0|1,0,1]=4 1102 B11R2.10 ClC=1NC2=C(C1)C=CC=C2 AK-48803 [0,1,0,1,0,0|0,0,2]=4 1103 B11R2.10 IC1=CC2=C(N1)C=CC=C2 AK110346 [0,1,0,1,0,0|0,0,2]=4 1104 B11R2.10 N1C2=NC=CC=C2CC1=O AK-23546 [0,1,0,1,0,0|1,0,1]=4 1105 B11R2.10 NC1=CC2=C(S1)C=CC=C2 AK-51344 [0,1,0,1,0,0|0,0,2]=4 1106 B11R2.10 NC1=NC2=CC=CC=C2N1 AK-54965 [0,1,0,1,0,0|1,0,1]=4 1107 B11R2.10 NC1=NC2=CC=CC=C2O1 AK-35247 [0,1,0,1,0,0|1,0,1]=4 1108 B11R2.10 NC1=NC2=CC=CC=C2S1 AK-41354 [0,1,0,1,0,0|1,0,1]=4 1109 B11R2.10 NC1CC2=C(C=CC=C2)C1 AK-51756 [0,1,0,1,0,0|0,0,0]=2 1110 B11R2.10 O=C1CC2=NC=CC=C2N1 AK-39930 [0,1,0,1,0,0|1,0,1]=4 1111 B11R2.10 O=C1NC2=C(C1)C=CN=C2 AK-90208 [0,1,0,1,0,0|1,0,1]=4 1112 B11R2.10 O=C1NC2=C(C=CC=C2)C1 AK-49964 [0,1,0,1,0,0|0,0,1]=3 1113 B11R2.10 O=C1OC2=CC=CC=C2C1 AK-77806 [0,1,0,1,0,0|1,0,1]=4 1114 B11R2.10 OC1CC2=C(C=CC=C2)C1 AK-94248 [0,1,0,1,0,0|1,0,0]=3 1115 B11R2.10 S=C1SC2=CC=CC=C2N1 AK-47877 [0,1,0,1,0,0|1,0,1]=4 1116 B11R2.20 C12=C(CNCC1)C=CC=C2 AK-26995 [0,1,0,1,0,0|0,0,0]=2 1117 B11R2.20 C12=C(N=CC=C1)CNCC2 AK-72699 [0,1,0,1,0,0|1,0,0]=3 1118 B11R2.20 C12=C(N=CC=C1)CNCC2 AK128835 [0,1,0,1,0,0|1,0,0]=3 1119 B11R2.20 C12=C(NCCC1)C=CC=C2 AK-26990 [0,1,0,1,0,0|0,0,0]=2 1120 B11R2.20 C12=CC=CC=C1NCCO2 AK-45913 [0,1,0,1,0,0|0,0,0]=2 1121 B11R2.20 C12=CC=CC=C1NCCS2 AK116388 [0,1,0,1,0,0|0,0,0]=2 1122 B11R2.20 C12=CC=NC=C1CNCC2 AK-76649 [0,1,0,1,0,0|1,0,0]=3 1123 B11R2.20 C12=NC=CC=C1OCCO2 AK-31936 [0,1,0,1,0,0|2,0,0]=4 1124 B11R2.20 C12=NC=NC=C1CNCC2 AK-50803 [0,1,0,1,0,0|2,0,0]=4 1125 B11R2.20 C12=NC=NC=C1CNCC2 AK162953 [0,1,0,1,0,0|2,0,0]=4 1126 B11R2.20 C1=C2NCCNC2=CC=C1 AK-34780 [0,1,0,1,0,0|0,0,0]=2 1127 B11R2.20 C1=CC=NC2=C1CCCC2 AK-25273 [0,1,0,1,0,0|2,0,0]=4 1128 B11R2.20 C1CC2=C(C=CC=C2)C=N1 AK-25112 [0,1,0,1,0,0|0,0,1]=3 1129 B11R2.20 C1CC2=CC=CC=C2CO1 AK-96680 [0,1,0,1,0,0|1,0,0]=3 1130 B11R2.20 C1CNC2=CC=CN=C2C1 AK-59103 [0,1,0,1,0,0|1,0,0]=3 1131 B11R2.20 N1=CN=CC2=C1CCNC2 AK-24594 [0,1,0,1,0,0|2,0,0]=4 1132 B11R2.20 N1CCNC2=C1C=CC=N2 AK-24566 [0,1,0,1,0,0|1,0,0]=3 1133 B11R2.55 ClC1=C(C2CC2)C=NC=C1 AK543867 [0,1,0,1,0,0|2,0,0]=4 1134 B11R2.55 FC1=NC=CC=C1C2CC2 AK131938 [0,1,0,1,0,0|2,0,0]=4 1135 B11R2.55 NC1=CC=CC=C1C2CC2 AK142855 [0,1,0,1,0,0|1,0,0]=3 1136 B11R2.55 NC1=NC=CC=C1C2CC2 AK131946 [0,1,0,1,0,0|2,0,0]=4 1137 B11R2.55 O=C1C(C2CC2)=CC=CN1 AK131947 [0,1,0,1,0,0|2,0,0]=4 1138 B11R2.106 BrC1=C2C(=CC=C1)[NH]N=C2 AK-23751 [0,1,0,1,0,0|1,0,1]=4 1139 B11R2.106 BrC1=C2OCCC2=CC=C1 AK-49553 [0,1,0,1,0,0|1,0,0]=3 1140 B11R2.106 BrC1=C2OCOC2=CC=C1 AK-32027 [0,1,0,1,0,0|2,0,0]=4 1141 B11R2.106 BrC1=C2[NH]N=CC2=CC=C1 AK-26850 [0,1,0,1,0,0|1,0,1]=4 1142 B11R2.106 BrC1=CC=CC2=C1CC=C2 AK121794 [0,1,0,1,0,0|1,0,1]=4 1143 B11R2.106 BrC1=CC=CC2=C1CCC2 AK126711 [0,1,0,1,0,0|1,0,0]=3 1144 B11R2.106 BrC1=CC=CC2=C1CCN2 AK-68725 [0,1,0,1,0,0|0,0,0]=2 1145 B11R2.106 BrC1=CC=CC2=C1CNC2 AK-28312 [0,1,0,1,0,0|2,0,0]=4 1146 B11R2.106 BrC1=CC=CC2=C1N=C[NH]2 AK-32245 [0,1,0,1,0,0|1,0,1]=4 1147 B11R2.106 BrC1=CC=CC2=C1NC=C2 AK-27182 [0,1,0,1,0,0|0,0,2]=4 1148 B11R2.106 C1=CC2=C(C(=C1)N)C=N[NH]2 AK-27889 [0,1,0,1,0,0|1,0,1]=4 1149 B11R2.106 C1=CC=C(C2=C1CCC2)O AK-38453 [0,1,0,1,0,0|1,0,0]=3 1150 B11R2.106 C1=CC=C(C2=C1[NH]C=C2)Cl AK-29938 [0,1,0,1,0,0|0,0,2]=4 1151 B11R2.106 C1=C[NH]C2=C1C(=CC=C2)Br AK-16402 [0,1,0,1,0,0|0,0,2]=4 1152 B11R2.106 C1=N[NH]C2=CC=CC(=C12)Cl AK-27886 [0,1,0,1,0,0|1,0,1]=4 1153 B11R2.106 CC1=C2NC=NC2=CC=C1 AK140118 [0,1,0,1,0,0|1,0,1]=4 1154 B11R2.106 CC1=C2[NH]N=CC2=CC=C1 AK-24466 [0,1,0,1,0,0|1,0,1]=4 1155 B11R2.106 CC1=CC=CC2=C1C=CN2 AK-45790 [0,1,0,1,0,0|0,0,2]=4 1156 B11R2.106 CC1=CC=CC2=C1C=NN2 AK-23783 [0,1,0,1,0,0|1,0,1]=4 1157 B11R2.106 CC1=CC=CC2=C1NC=C2 AK-36907 [0,1,0,1,0,0|0,0,2]=4 1158 B11R2.106 ClC1=C2C(NCC2)=NC=N1 AK-27475 [0,1,0,1,0,0|2,0,0]=4 1159 B11R2.106 ClC1=C2CC=CC2=CC=C1 AK-80051 [0,1,0,1,0,0|1,0,1]=4 1160 B11R2.106 ClC1=C2CCCC2=NC=C1 AK-38590 [0,1,0,1,0,0|2,0,0]=4 1161 B11R2.106 ClC1=C2NC=NC2=CC=C1 AK139813 [0,1,0,1,0,0|1,0,1]=4 1162 B11R2.106 ClC1=C2NN=CC2=CC=C1 AK-24465 [0,1,0,1,0,0|1,0,1]=4 1163 B11R2.106 ClC1=C2NN=NC2=CC=C1 AK125386 [0,1,0,1,0,0|2,0,0]=4 1164 B11R2.106 ClC1=CC=CC2=C1CCN2 AK-35110 [0,1,0,1,0,0|0,0,0]=2 1165 B11R2.106 ClC1=CC=CC2=C1CNC2 AK-68481 [0,1,0,1,0,0|2,0,0]=4 1166 B11R2.106 ClC1=NC=CC2=C1CCN2 AK-27548 [0,1,0,1,0,0|1,0,0]=3 1167 B11R2.106 FC1=C2C(=CC=C1)[NH]N=C2 AK-23772 [0,1,0,1,0,0|1,0,1]=4 1168 B11R2.106 FC1=C2[NH]N=CC2=CC=C1 AK-24464 [0,1,0,1,0,0|1,0,1]=4 1169 B11R2.106 FC1=CC=CC2=C1C=CN2 AK-25895 [0,1,0,1,0,0|0,0,2]=4 1170 B11R2.106 FC1=CC=CC2=C1NC=C2 AK-29993 [0,1,0,1,0,0|0,0,2]=4 1171 B11R2.106 FC1=CC=CC2=C1NCC2 AK145029 [0,1,0,1,0,0|0,0,0]=2 1172 B11R2.106 IC1=CC=CC2=C1CCC2 AK138441 [0,1,0,1,0,0|1,0,0]=3 1173 B11R2.106 NC1=C2CCCC2=CC=C1 AK-72591 [0,1,0,1,0,0|1,0,0]=3 1174 B11R2.106 NC1=C2CCOC2=CC=C1 AK-83274 [0,1,0,1,0,0|1,0,0]=3 1175 B11R2.106 NC1=C2NC=NC2=CC=C1 AK-30023 [0,1,0,1,0,0|1,0,1]=4 1176 B11R2.106 NC1=C2OCCC2=CC=C1 AK142017 [0,1,0,1,0,0|1,0,0]=3 1177 B11R2.106 NC1=C2OCOC2=CC=C1 AK-38427 [0,1,0,1,0,0|2,0,0]=4 1178 B11R2.106 NC1=CC=CC2=C1C=CN2 AK-28017 [0,1,0,1,0,0|0,0,2]=4 1179 B11R2.106 NC1=CC=CC2=C1CNC2 AK116799 [0,1,0,1,0,0|2,0,0]=4 1180 B11R2.106 OC1=C2C(NC=N2)=CC=C1 AK114476 [0,1,0,1,0,0|1,0,1]=4 1181 B11R2.106 OC1=CC=CC2=C1C=NN2 AK-77233 [0,1,0,1,0,0|1,0,1]=4 1182 B11R2.106 OC1=CC=CC2=C1CNC2 AK132783 [0,1,0,1,0,0|2,0,0]=4 1183 B11R2.106 OC1=CC=CC2=C1NC=C2 AK-48053 [0,1,0,1,0,0|0,0,2]=4 1184 B11R2.106 OC1=CC=CC2=C1NN=C2 AK-27878 [0,1,0,1,0,0|1,0,1]=4 1185 B11R2.988 OCC1C2=CC=CC=C2C1 AK550201 [0,1,0,1,0,0|1,0,0]=3 1186 B11R2.35 BrC1=CC(=CC=C1)C2CC2 AK-81509 [0,1,0,1,0,0|1,0,0]=3 1187 B11R2.35 BrC1=CC(C2CC2)=NC=C1 AK123378 [0,1,0,1,0,0|2,0,0]=4 1188 B11R2.35 NC1=CC=CC(C2CC2)=C1 AK112946 [0,1,0,1,0,0|1,0,0]=3 1189 B11R2.1 BrC1=NNC2=C1C=CC=C2 AK-23691 [0,1,0,1,0,0|1,0,1]=4 1190 B11R2.1 C1=C(C2=CC=CC=C2[NH]1)C AK-68243 [0,1,0,1,0,0|0,0,2]=4 1191 B11R2.1 C1=CC=CC2=C1C(=NS2)N AK-26866 [0,1,0,1,0,0|1,0,1]=4 1192 B11R2.1 C1=CC=CC2=C1C(=N[NH]2)N AK-26928 [0,1,0,1,0,0|1,0,1]=4 1193 B11R2.1 C1=CC=CC2=C1C(CC2)=O AK-44115 [0,1,0,1,0,0|1,0,0]=3 1194 B11R2.1 C1=CC=CC2=C1C(CO2)=O AK-45365 [0,1,0,1,0,0|1,0,1]=4 1195 B11R2.1 CC1=CCC2=CC=CC=C12 AK-79878 [0,1,0,1,0,0|1,0,1]=4 1196 B11R2.1 CC1=N[NH]C2=CC=CC=C12 AK-24403 [0,1,0,1,0,0|1,0,1]=4 1197 B11R2.1 CN1C=CC2=C1C=CC=C2 AK-84423 [0,1,0,1,0,0|0,0,2]=4 1198 B11R2.1 CN1C=NC2=C1C=CC=C2 AK-51670 [0,1,0,1,0,0|1,0,1]=4 1199 B11R2.1 IC1=NNC2=C1C=CC=C2 AK-24807 [0,1,0,1,0,0|1,0,1]=4 1200 B11R2.1 NC1=NCC2=C1C=CC=C2 AK166973 [0,1,0,1,0,0|0,0,1]=3 1201 B11R2.1 NC1CCC2=C1C=CC=C2 AK-44750 [0,1,0,1,0,0|0,0,0]=2 1202 B11R2.1 NC1CCC2=CC=CC=C12 AK-96028 [0,1,0,1,0,0|0,0,0]=2 1203 B11R2.1 NC1CCC2=CC=CN=C21 AK-75878 [0,1,0,1,0,0|1,0,0]=3 1204 B11R2.1 NN1C=CC2=C1C=CC=C2 AK-49867 [0,1,0,1,0,0|0,0,2]=4 1205 B11R2.1 NN1N=CC2=CC=CC=C12 AK-87918 [0,1,0,1,0,0|1,0,1]=4 1206 B11R2.1 NN1N=NC2=CC=CC=C21 AK113523 [0,1,0,1,0,0|2,0,0]=4 1207 B11R2.1 N[C@@H]1CCC2=C1C=CC=C2 AK-44891 [0,1,0,1,0,0|0,0,0]=2 1208 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 AK-89530 [0,1,0,1,0,0|0,0,0]=2 1209 B11R2.1 N[C@H]1COC2=CC=CC=C12 AK172653 [0,1,0,1,0,0|0,0,0]=2 1210 B11R2.1 O1C2=C(C(=N1)N)C=CC=C2 AK-23544 [0,1,0,1,0,0|1,0,1]=4 1211 B11R2.1 O=C1C2=CC=CC=C2SC1 AK-29817 [0,1,0,1,0,0|1,0,1]=4 1212 B11R2.1 O=C1CCC2=CC=CN=C21 AK-29125 [0,1,0,1,0,0|2,0,0]=4 1213 B11R2.1 O=C1NCC2=C1C=CC=C2 AK-68456 [0,1,0,1,0,0|1,0,1]=4 1214 B11R2.1 O=C1OCC2=C1C=CC=C2 AK-78719 [0,1,0,1,0,0|1,0,1]=4 1215 B11R2.1 OC1=NNC2=C1C=CC=C2 AK136349 [0,1,0,1,0,0|1,0,1]=4 1216 B11R2.1 OC1CCC2=C1C=CC=C2 AK151987 [0,1,0,1,0,0|1,0,0]=3 1217 B11R2.1 OC1CCC2=CC=CN=C21 AK-72486 [0,1,0,1,0,0|2,0,0]=4 1218 B11R2.1 S1C=C(C2=C1C=CC=C2)N AK-28603 [0,1,0,1,0,0|0,0,2]=4 1219 B11R2.4 N[C@H]1[C@H](C2=CC=CC=C2)C1 AK142856 [0,1,0,1,0,0|0,0,0]=2 1220 B11R2.40 NC1(C2=CC=CC=C2)CC1 AK-30570 [0,1,0,1,0,0|1,0,0]=3 1221 B11R2.40 NC1(C2=CC=CN=C2)CC1 AK-68608 [0,1,0,1,0,0|2,0,0]=4 1222 B11R2.239 C1(C2=CC=CC=C2)CNC1 AK-36313 [0,1,0,1,0,0|0,0,0]=2 1223 B11R2.239 C1NCC1C2=CC=CN=C2 AK103500 [0,1,0,1,0,0|1,0,0]=3 1224 B7R1.1 CCC1=CC=CS1 AK-76635 [1,0,0,0,1,0|1,0,0]=3 1225 B7R1.1 CCC1=NC=CN1 AK161825 [1,0,0,0,1,0|2,0,0]=4 1226 B7R1.1 CCN1C=CN=C1 AK-47598 [1,0,0,0,1,0|2,0,0]=4 1227 B7R1.1 CCN1N=CC=C1 AK-39994 [1,0,0,0,1,0|2,0,0]=4 1228 B7R1.1 COC1=CC=CS1 AK-60885 [1,0,0,0,1,0|2,0,0]=4 1229 B7R1.1 COC1=CSC=C1 AK-60944 [1,0,0,0,1,0|2,0,0]=4 1230 B7R1.1 NCC1=CC=CN1 AK-39872 [1,0,0,0,1,0|1,0,0]=3 1231 B7R1.1 NCC1=CC=CS1 AK-46394 [1,0,0,0,1,0|1,0,0]=3 1232 B7R1.1 NCC1=CN=CO1 AK-25086 [1,0,0,0,1,0|2,0,0]=4 1233 B7R1.1 NCC1=CN=CS1 AK-24530 [1,0,0,0,1,0|2,0,0]=4 1234 B7R1.1 NCC1=CNC=C1 AK-67638 [1,0,0,0,1,0|1,0,0]=3 1235 B7R1.1 NCC1=CNC=N1 AK-33143 [1,0,0,0,1,0|2,0,0]=4 1236 B7R1.1 NCC1=CSC=C1 AK-28306 [1,0,0,0,1,0|1,0,0]=3 1237 B7R1.1 NCC1=CSC=C1 AK-48092 [1,0,0,0,1,0|1,0,0]=3 1238 B7R1.1 NCC1=NC=CO1 AK-48266 [1,0,0,0,1,0|2,0,0]=4 1239 B7R1.1 NCC1=NC=CS1 AK-26128 [1,0,0,0,1,0|2,0,0]=4 1240 B7R1.1 NCC1=NC=CS1 AK-95677 [1,0,0,0,1,0|2,0,0]=4 1241 B7R1.1 NCC1=NNC=C1 AK-25875 [1,0,0,0,1,0|2,0,0]=4 1242 B7R1.1 OCC1=CC=CS1 AK-93468 [1,0,0,0,1,0|2,0,0]=4 1243 B7R1.1 OCC1=COC=C1 AK-46116 [1,0,0,0,1,0|2,0,0]=4 1244 B7R1.1 OCC1=CSC=C1 AK-36199 [1,0,0,0,1,0|2,0,0]=4