0 B9R1.6 C1=C(C(=O)C)C=CN=C1 AK-65203 [0,0,0,0,0,0|1,1,1]=3 1 B9R1.6 C1=C(C(C)=O)N=CC=C1 AK-53417 [0,0,0,0,0,0|1,1,1]=3 2 B9R1.6 C1=C(C(N)=O)C=CN=C1 AK-47864 [0,0,0,0,0,0|2,1,1]=4 3 B9R1.6 C1=C(C=CC=C1)B(O)O AK-50285 [0,0,0,0,0,0|2,1,0]=3 4 B9R1.6 C1=C(C=CN=C1)B(O)O AK-26762 [0,0,0,0,0,0|3,1,0]=4 5 B9R1.6 C1=C(N=CC=N1)C(=O)C AK-16901 [0,0,0,0,0,0|2,1,1]=4 6 B9R1.6 C1=NC(=CC=C1)C(C)C AK-46532 [0,0,0,0,0,0|2,0,0]=2 7 B9R1.6 CC(=O)C1=CC=CN=N1 AK-83539 [0,0,0,0,0,0|2,1,1]=4 8 B9R1.6 CC(=O)C1=CC=NN=C1 AK-30816 [0,0,0,0,0,0|2,1,1]=4 9 B9R1.6 CC(=O)C1=NC=CC=N1 AK-35526 [0,0,0,0,0,0|2,1,1]=4 10 B9R1.6 CC(C1=CN=CN=C1)=O AK-32388 [0,0,0,0,0,0|2,1,1]=4 11 B9R1.6 CC(C1=NC=NC=C1)=O AK-40767 [0,0,0,0,0,0|2,1,1]=4 12 B9R1.6 CC(N)C1=CC=CN=C1 AK-35649 [0,0,0,0,0,0|2,0,0]=2 13 B9R1.6 CC(N)C1=CN=CC=N1 AK-31016 [0,0,0,0,0,0|3,0,0]=3 14 B9R1.6 CC(N)C1=NC=CC=N1 AK162973 [0,0,0,0,0,0|3,0,0]=3 15 B9R1.6 CC(O)C1=NC=CC=C1 AK-53453 [0,0,0,0,0,0|1,1,0]=2 16 B9R1.6 CN(C)C1=NC=CC=C1 AK-78706 [0,0,0,0,0,0|3,0,0]=3 17 B9R1.6 C[C@@H](N)C1=CC=CC=C1 AK668263 [0,0,0,0,0,0|1,0,0]=1 18 B9R1.6 C[C@@H](N)C1=CC=CN=C1 AK152012 [0,0,0,0,0,0|2,0,0]=2 19 B9R1.6 C[C@@H](N)C1=NC=CC=C1 AK122419 [0,0,0,0,0,0|2,0,0]=2 20 B9R1.6 C[C@@H](O)C1=CC=CC=C1 AK-79205 [0,0,0,0,0,0|0,1,0]=1 21 B9R1.6 C[C@@H](O)C1=CC=NC=C1 AK-45022 [0,0,0,0,0,0|1,1,0]=2 22 B9R1.6 C[C@@H](O)C1=NC=CC=C1 AK-79201 [0,0,0,0,0,0|1,1,0]=2 23 B9R1.6 C[C@H](N)C1=CC=CN=C1 AK151271 [0,0,0,0,0,0|2,0,0]=2 24 B9R1.6 C[C@H](O)C1=CC=NC=C1 AK-79199 [0,0,0,0,0,0|1,1,0]=2 25 B9R1.6 N1=C(C=CC=C1)C(N)=S AK-65332 [0,0,0,0,0,0|2,0,2]=4 26 B9R1.6 N1=C(C=CC=C1)[C@@H](C)N AK-37082 [0,0,0,0,0,0|2,0,0]=2 27 B9R1.6 N=C(N)C1=CC=CC=C1 AK-47930 [0,0,0,0,0,0|2,0,1]=3 28 B9R1.6 N=C(N)C1=CC=NC=C1 AK-84875 [0,0,0,0,0,0|3,0,1]=4 29 B9R1.6 N=C(N)C1=CC=NC=C1 AK546382 [0,0,0,0,0,0|3,0,1]=4 30 B9R1.6 N=C(N)C1=CN=CC=C1 AK-76662 [0,0,0,0,0,0|3,0,1]=4 31 B9R1.6 N=C(N)C1=NC=CC=C1 AK-26055 [0,0,0,0,0,0|3,0,1]=4 32 B9R1.6 NC(=N)C1=CC=CC=C1 AK-48017 [0,0,0,0,0,0|2,0,1]=3 33 B9R1.6 NC(C1=CC=CC=C1)=S AK-46849 [0,0,0,0,0,0|1,0,2]=3 34 B9R1.6 N[C@@H](C1=CC=NC=C1)C AK202973 [0,0,0,0,0,0|2,0,0]=2 35 B9R1.6 N[C@H](C1=NC=CC=C1)C AK-37110 [0,0,0,0,0,0|2,0,0]=2 36 B9R1.6 O=C(Cl)C1=NC=CC=C1 AK-49118 [0,0,0,0,0,0|2,1,1]=4 37 B9R1.6 O=C(N)C1=CC=CC=C1 AK-77684 [0,0,0,0,0,0|1,1,1]=3 38 B9R1.6 O=C(N)C1=CN=CC=C1 AK112769 [0,0,0,0,0,0|2,1,1]=4 39 B9R1.6 O=C(N)C1=NC=CC=C1 AK106190 [0,0,0,0,0,0|2,1,1]=4 40 B9R1.6 O=C(O)C1=CN=CC=C1 AK-46486 [0,0,0,0,0,0|2,1,1]=4 41 B9R1.6 O=C(O)C1=NC=CC=C1 AK-50286 [0,0,0,0,0,0|2,1,1]=4 42 B9R1.6 O=S(C1=CC=CC=C1)[O-] AK162411 [0,0,0,0,0,0|2,1,0]=3 43 B9R1.6 OB(C1=CC=CN=C1)O AK-26799 [0,0,0,0,0,0|3,1,0]=4 44 B9R1.6 OB(C1=NC=CC=C1)O AK-26642 [0,0,0,0,0,0|3,1,0]=4 45 B9R1.6 OC(=O)C1=CC=NC=C1 AK-49896 [0,0,0,0,0,0|2,1,1]=4 46 B8R1.2 BrCC1=CC=CN=C1 AK-44682 [1,0,0,0,0,0|2,0,0]=3 47 B8R1.2 BrCC1=CC=NC=C1 AK-40271 [1,0,0,0,0,0|2,0,0]=3 48 B8R1.2 BrCC1=CN=CN=C1 AK150782 [1,0,0,0,0,0|3,0,0]=4 49 B8R1.2 BrCC1=NC=CC=C1 AK-78919 [1,0,0,0,0,0|2,0,0]=3 50 B8R1.2 BrCC1=NC=CN=C1 AK143784 [1,0,0,0,0,0|3,0,0]=4 51 B8R1.2 BrCC1=NC=NC=C1 AK109329 [1,0,0,0,0,0|3,0,0]=4 52 B8R1.2 BrCC1=NN=CC=C1 AK-77169 [1,0,0,0,0,0|3,0,0]=4 53 B8R1.2 C#CC1=CC=CN=C1 AK-39524 [1,0,0,0,0,0|1,0,2]=4 54 B8R1.2 C#CC1=CC=NC=C1 AK-32285 [1,0,0,0,0,0|1,0,2]=4 55 B8R1.2 C#CC1=CC=NC=C1 AK-61719 [1,0,0,0,0,0|1,0,2]=4 56 B8R1.2 C1=C(N=CC=C1)C#C AK-39840 [1,0,0,0,0,0|1,0,2]=4 57 B8R1.2 C1=C(N=CC=N1)CN AK-23965 [1,0,0,0,0,0|3,0,0]=4 58 B8R1.2 C1=CN=CC=C1OC AK-54547 [1,0,0,0,0,0|2,0,0]=3 59 B8R1.2 C1=NC=C(N=C1)CO AK-45812 [1,0,0,0,0,0|2,1,0]=4 60 B8R1.2 CC[N+]1=CC=CC=C1 AK607939 [1,0,0,0,0,0|1,0,0]=2 61 B8R1.2 CNC1=CC=CN=C1 AK-72893 [1,0,0,0,0,0|2,0,0]=3 62 B8R1.2 CNC1=CC=NN=C1 AK545083 [1,0,0,0,0,0|3,0,0]=4 63 B8R1.2 CNC1=NC=CC=N1 AK-27708 [1,0,0,0,0,0|3,0,0]=4 64 B8R1.2 COC1=CC=CN=C1 AK-76565 [1,0,0,0,0,0|2,0,0]=3 65 B8R1.2 COC1=CC=CN=N1 AK-28954 [1,0,0,0,0,0|3,0,0]=4 66 B8R1.2 COC1=CN=CN=C1 AK-31068 [1,0,0,0,0,0|3,0,0]=4 67 B8R1.2 CSC1=NC=CN=C1 AK-41535 [1,0,0,0,0,0|3,0,0]=4 68 B8R1.2 ClCC1=NC=CC=N1 AK-29240 [1,0,0,0,0,0|3,0,0]=4 69 B8R1.2 ICC1=CC=CC=C1 AK-54444 [1,0,0,0,0,0|1,0,0]=2 70 B8R1.2 N#CC1=CC=CC=C1 AK-49389 [1,0,0,0,0,0|1,0,1]=3 71 B8R1.2 N#CC1=CC=NC=C1 AK-76782 [1,0,0,0,0,0|2,0,1]=4 72 B8R1.2 N#CC1=CN=CC=C1 AK-76753 [1,0,0,0,0,0|2,0,1]=4 73 B8R1.2 N#CC1=NC=CC=C1 AK-76752 [1,0,0,0,0,0|2,0,1]=4 74 B8R1.2 N1=C(N=CC=C1)CN AK-23656 [1,0,0,0,0,0|3,0,0]=4 75 B8R1.2 NCC1=CC=NC=C1 AK-25866 [1,0,0,0,0,0|2,0,0]=3 76 B8R1.2 NCC1=CC=NC=C1 AK-50006 [1,0,0,0,0,0|2,0,0]=3 77 B8R1.2 NCC1=CC=NN=C1 AK-23789 [1,0,0,0,0,0|3,0,0]=4 78 B8R1.2 NCC1=CN=CN=C1 AK164227 [1,0,0,0,0,0|3,0,0]=4 79 B8R1.2 NCC1=NC=CC=N1 AK-73144 [1,0,0,0,0,0|3,0,0]=4 80 B8R1.2 NCC1=NC=CN=C1 AK-50813 [1,0,0,0,0,0|3,0,0]=4 81 B8R1.2 NCC1=NC=NC=C1 AK-23966 [1,0,0,0,0,0|3,0,0]=4 82 B8R1.2 NNC1=CC=CC=C1 AK114548 [1,0,0,0,0,0|2,0,0]=3 83 B8R1.2 NNC1=CC=CN=C1 AK-40869 [1,0,0,0,0,0|3,0,0]=4 84 B8R1.2 NNC1=CC=CN=C1 AK-75799 [1,0,0,0,0,0|3,0,0]=4 85 B8R1.2 NNC1=CC=NC=C1 AK-51295 [1,0,0,0,0,0|3,0,0]=4 86 B8R1.2 NNC1=NC=CC=C1 AK-26026 [1,0,0,0,0,0|3,0,0]=4 87 B8R1.2 NOC1=CC=CC=C1 AK-77703 [1,0,0,0,0,0|2,0,0]=3 88 B8R1.2 O=CC1=CC=NC=C1 AK-50192 [1,0,0,0,0,0|1,1,1]=4 89 B8R1.2 OCC1=CC=CN=C1 AK-46173 [1,0,0,0,0,0|1,1,0]=3 90 B8R1.2 OCC1=CC=NC=C1 AK-44706 [1,0,0,0,0,0|1,1,0]=3 91 B8R1.2 OCC1=CC=NC=C1 AK175384 [1,0,0,0,0,0|1,1,0]=3 92 B8R1.2 OCC1=CN=CN=C1 AK-32022 [1,0,0,0,0,0|2,1,0]=4 93 B8R1.2 OCC1=NC=CC=C1 AK-53905 [1,0,0,0,0,0|1,1,0]=3 94 B8R1.2 OCC1=NC=CC=N1 AK-25156 [1,0,0,0,0,0|2,1,0]=4 95 B8R1.2 OCC1=NC=NC=C1 AK-31889 [1,0,0,0,0,0|2,1,0]=4 96 B8R1.2 ONC1=CC=CC=C1 AK139965 [1,0,0,0,0,0|1,1,0]=3 97 B10R1.13 C(C)(=O)C1=CC=C(N=C1)Br AK-25404 [0,1,0,0,0,0|1,1,1]=4 98 B10R1.13 C1=C(B(O)O)C=CC(=C1)C AK-39805 [0,1,0,0,0,0|2,1,0]=4 99 B10R1.13 C1=C(C(=N)N)C=CC(=C1)Cl AK-49053 [0,1,0,0,0,0|2,0,1]=4 100 B10R1.13 C1=C(C(C)C)C=CC(=C1)Br AK-47451 [0,1,0,0,0,0|1,0,0]=2 101 B10R1.13 C1=C(C=CC(=C1)Br)B(O)O AK-44722 [0,1,0,0,0,0|2,1,0]=4 102 B10R1.13 C1=C(C=CC(=C1)F)B(O)O AK-46490 [0,1,0,0,0,0|2,1,0]=4 103 B10R1.13 C1=C(C=CC(=C1)O)B(O)O AK-44804 [0,1,0,0,0,0|2,1,0]=4 104 B10R1.13 C1=C(N(C)C)C=CC(=C1)Br AK-47628 [0,1,0,0,0,0|2,0,0]=3 105 B10R1.13 C1=C(N=CC(=C1)C(C)=O)C AK-25853 [0,1,0,0,0,0|1,1,1]=4 106 B10R1.13 C1=CC(=CC=C1C(C)=O)F AK-41690 [0,1,0,0,0,0|0,1,1]=3 107 B10R1.13 C1=CC(=CC=C1C(N)=O)F AK-47676 [0,1,0,0,0,0|1,1,1]=4 108 B10R1.13 C1=CC(=CC=C1C(O)=O)Br AK-50463 [0,1,0,0,0,0|1,1,1]=4 109 B10R1.13 C1=CC(=CC=C1C(O)=O)F AK-73077 [0,1,0,0,0,0|1,1,1]=4 110 B10R1.13 CC(=O)C1=CC=C(N)N=C1 AK-67650 [0,1,0,0,0,0|1,1,1]=4 111 B10R1.13 CC(Br)C1=CC=C(F)C=C1 AK-94758 [0,1,0,0,0,0|1,0,0]=2 112 B10R1.13 CC(C1=CC=C(Br)C=C1)=O AK124422 [0,1,0,0,0,0|0,1,1]=3 113 B10R1.13 CC(C1=CC=C(C)C=C1)=O AK-41305 [0,1,0,0,0,0|0,1,1]=3 114 B10R1.13 CC(C1=CC=C(F)N=C1)=O AK-29672 [0,1,0,0,0,0|1,1,1]=4 115 B10R1.13 CC(C1=CC=C(N)C=C1)=O AK110424 [0,1,0,0,0,0|0,1,1]=3 116 B10R1.13 CC(C1=CC=C(O)C=C1)=O AK-86441 [0,1,0,0,0,0|0,1,1]=3 117 B10R1.13 CC(C1=CC=C(O)N=C1)=O AK-40333 [0,1,0,0,0,0|1,1,1]=4 118 B10R1.13 CC(C1=CN=C(N)C=C1)C AK-81363 [0,1,0,0,0,0|2,0,0]=3 119 B10R1.13 CC(C1=NC=C(Br)C=C1)=O AK-28454 [0,1,0,0,0,0|1,1,1]=4 120 B10R1.13 CC(C1=NC=C(Br)C=N1)C AK173649 [0,1,0,0,0,0|3,0,0]=4 121 B10R1.13 CC(C1=NC=C(Cl)C=C1)=O AK-77099 [0,1,0,0,0,0|1,1,1]=4 122 B10R1.13 CC(C1=NC=C(O)C=C1)=O AK116053 [0,1,0,0,0,0|1,1,1]=4 123 B10R1.13 CC(N)C1=CC=C(C)N=C1 AK684509 [0,1,0,0,0,0|2,0,0]=3 124 B10R1.13 CC(N)C1=CC=C(I)C=C1 AK-77292 [0,1,0,0,0,0|1,0,0]=2 125 B10R1.13 CC(N)C1=NC=C(C)C=C1 AK158768 [0,1,0,0,0,0|2,0,0]=3 126 B10R1.13 CC(O)C1=CC=C(Br)C=C1 AK117026 [0,1,0,0,0,0|0,1,0]=2 127 B10R1.13 CC(O)C1=CC=C(N)C=C1 AK109742 [0,1,0,0,0,0|0,1,0]=2 128 B10R1.13 CC(O)C1=CN=C(C)C=C1 AK-32149 [0,1,0,0,0,0|1,1,0]=3 129 B10R1.13 CC1=CC=C(S(O)=O)C=C1 AK-46949 [0,1,0,0,0,0|2,1,0]=4 130 B10R1.13 CN(C)C1=CC=C(C=C1)I AK101968 [0,1,0,0,0,0|2,0,0]=3 131 B10R1.13 CN(C)C1=CC=C(Cl)C=C1 AK136579 [0,1,0,0,0,0|2,0,0]=3 132 B10R1.13 CN(C)C1=CC=C(O)C=C1 AK-64702 [0,1,0,0,0,0|2,0,0]=3 133 B10R1.13 CN(C)C1=NC=C(Br)C=C1 AK-25675 [0,1,0,0,0,0|3,0,0]=4 134 B10R1.13 CN(C)C1=NC=C(I)C=C1 AK117849 [0,1,0,0,0,0|3,0,0]=4 135 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 AK-45030 [0,1,0,0,0,0|1,0,0]=2 136 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 AK-89611 [0,1,0,0,0,0|1,0,0]=2 137 B10R1.13 C[C@@H](N)C1=CC=C(I)C=C1 AK-43006 [0,1,0,0,0,0|1,0,0]=2 138 B10R1.13 C[C@@H](N)C1=NC=C(F)C=C1 AK204056 [0,1,0,0,0,0|2,0,0]=3 139 B10R1.13 C[C@@H](O)C1=CC=C(Br)C=C1 AK-79215 [0,1,0,0,0,0|0,1,0]=2 140 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 AK-34471 [0,1,0,0,0,0|1,0,0]=2 141 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 AK548805 [0,1,0,0,0,0|1,0,0]=2 142 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 AK173009 [0,1,0,0,0,0|2,0,0]=3 143 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 AK321169 [0,1,0,0,0,0|2,0,0]=3 144 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 AK668421 [0,1,0,0,0,0|2,0,0]=3 145 B10R1.13 C[C@H](O)C1=CC=C(Br)C=C1 AK-79189 [0,1,0,0,0,0|0,1,0]=2 146 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 AK-79216 [0,1,0,0,0,0|0,1,0]=2 147 B10R1.13 ClC1=CC=C(B(O)O)C=C1 AK-26616 [0,1,0,0,0,0|2,1,0]=4 148 B10R1.13 ClC1=CC=C(C(C)=O)C=N1 AK-26129 [0,1,0,0,0,0|1,1,1]=4 149 B10R1.13 ClC1=NC=C(C=N1)C(C)C AK-25128 [0,1,0,0,0,0|3,0,0]=4 150 B10R1.13 FC(C1=CC=C(Cl)C=C1)F AK-77798 [0,1,0,0,0,0|2,0,0]=3 151 B10R1.13 FC(C1=NC=C(Br)C=C1)F AK103226 [0,1,0,0,0,0|3,0,0]=4 152 B10R1.13 IC1=CC=C(B(O)O)C=C1 AK-24763 [0,1,0,0,0,0|2,1,0]=4 153 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 AK-89169 [0,1,0,0,0,0|2,0,1]=4 154 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 AK107083 [0,1,0,0,0,0|2,0,1]=4 155 B10R1.13 N=C(N)C1=CC=C(F)C=C1 AK-35244 [0,1,0,0,0,0|2,0,1]=4 156 B10R1.13 N=C(N)C1=CC=C(N)C=C1 AK-34349 [0,1,0,0,0,0|2,0,1]=4 157 B10R1.13 N=C(N)C1=CC=C(O)C=C1 AK-16801 [0,1,0,0,0,0|2,0,1]=4 158 B10R1.13 NC(=O)C1=CC=C(Br)C=C1 AK-76760 [0,1,0,0,0,0|1,1,1]=4 159 B10R1.13 NC1=CC=C(B(O)O)C=C1 AK-44817 [0,1,0,0,0,0|2,1,0]=4 160 B10R1.13 NC1=CC=C(C(C)C)N=C1 AK-30855 [0,1,0,0,0,0|2,0,0]=3 161 B10R1.13 NC1=CC=C(C(F)F)N=C1 AK143270 [0,1,0,0,0,0|3,0,0]=4 162 B10R1.13 NC1=CC=C(N=C1)C(F)F AK104590 [0,1,0,0,0,0|3,0,0]=4 163 B10R1.13 NC1=CC=C([N+]([O-])=O)C=C1 AK136006 [0,1,0,0,0,0|2,1,0]=4 164 B10R1.13 N[C@@H](C1=CC=C(Br)C=C1)C AK-35249 [0,1,0,0,0,0|1,0,0]=2 165 B10R1.13 N[C@@H](C1=CC=C(C)C=C1)C AK-45033 [0,1,0,0,0,0|1,0,0]=2 166 B10R1.13 N[C@H](C1=CC=C(F)C=C1)C AK-98664 [0,1,0,0,0,0|1,0,0]=2 167 B10R1.13 O=C(N)C1=CC=C(Cl)C=C1 AK113058 [0,1,0,0,0,0|1,1,1]=4 168 B10R1.13 O=C(N)C1=CC=C(N)C=C1 AK151254 [0,1,0,0,0,0|1,1,1]=4 169 B10R1.13 O=C(N)C1=CC=C(O)C=C1 AK151255 [0,1,0,0,0,0|1,1,1]=4 170 B10R1.13 O=C(O)C1=CC=C(C)C=C1 AK106262 [0,1,0,0,0,0|1,1,1]=4 171 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 AK-44086 [0,1,0,0,0,0|1,1,1]=4 172 B10R1.13 O=C(O)C1=CC=C(I)C=C1 AK-73094 [0,1,0,0,0,0|1,1,1]=4 173 B10R1.13 O=C(O)C1=CC=C(N)C=C1 AK-41178 [0,1,0,0,0,0|1,1,1]=4 174 B10R1.13 O=C(O)C1=CC=C(O)C=C1 AK106263 [0,1,0,0,0,0|1,1,1]=4 175 B10R1.13 O=C([O-])C1=CC=C(N)C=C1 AK116649 [0,1,0,0,0,0|1,1,1]=4 176 B10R1.13 O=C([O-])C1=CC=C(O)C=C1 AK306852 [0,1,0,0,0,0|1,1,1]=4 177 B10R1.13 O=S(C1=CC=C(C)C=C1)O AK143296 [0,1,0,0,0,0|2,1,0]=4 178 B10R1.13 O=S(C1=CC=C(C)C=C1)[O-] AK106973 [0,1,0,0,0,0|2,1,0]=4 179 B10R1.13 O=S(C1=CC=C(F)C=C1)[O-] AK114760 [0,1,0,0,0,0|2,1,0]=4 180 B10R1.13 O=[S@@](C1=CC=C(C)C=C1)N AK-81446 [0,1,0,0,0,0|2,1,0]=4 181 B10R1.13 OB(C1=CC=C(S)C=C1)O AK-41540 [0,1,0,0,0,0|2,1,0]=4 182 B10R1.13 OC1=CC=C(C(=S)N)C=C1 AK-21819 [0,1,0,0,0,0|1,0,2]=4 183 B10R1.13 OC1=CC=C(C(C)=C)C=C1 AK117164 [0,1,0,0,0,0|1,0,1]=3 184 B10R1.13 OC1=CC=C(C(O)C)C=C1 AK-45202 [0,1,0,0,0,0|0,1,0]=2 185 B10R1.13 OC1=CC=C(C=C1)C(F)F AK-76781 [0,1,0,0,0,0|2,0,0]=3 186 B10R1.13 OC1=CC=C(N(C)C)C=C1 AK103764 [0,1,0,0,0,0|2,0,0]=3 187 B10R1.13 OC1=CC=C([C@H](N)C)C=C1 AK608003 [0,1,0,0,0,0|1,0,0]=2 188 B10R1.15 C1=C(C(OC)=O)C=CN=C1 AK-46755 [0,1,0,0,0,0|1,1,1]=4 189 B10R1.15 C1=C(C(OC)=O)N=CC=C1 AK-46574 [0,1,0,0,0,0|1,1,1]=4 190 B10R1.15 C1=CC=NC=C1C(OC)=O AK-47410 [0,1,0,0,0,0|1,1,1]=4 191 B10R1.15 CC(C1=CC=CC=C1)CN AK-67959 [0,1,0,0,0,0|1,0,0]=2 192 B10R1.15 CC[C@@H](C1=NC=CC=C1)N AK544238 [0,1,0,0,0,0|2,0,0]=3 193 B10R1.15 CC[C@H](C1=NC=CC=C1)N AK668420 [0,1,0,0,0,0|2,0,0]=3 194 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 AK-47624 [0,1,0,0,0,0|1,0,0]=2 195 B10R1.15 C[C@@H](NC)C1=CC=CC=C1 AK140531 [0,1,0,0,0,0|1,0,0]=2 196 B10R1.15 ClC(C=C)C1=CC=CC=C1 AK173991 [0,1,0,0,0,0|1,0,1]=3 197 B10R1.15 FC(C1=CC=CC=C1)CBr AK-93540 [0,1,0,0,0,0|1,0,0]=2 198 B10R1.15 NCC(C1=CC=CC=C1)=O AK-26107 [0,1,0,0,0,0|0,1,1]=3 199 B10R1.15 NCC(O)C1=NC=CC=C1 AK157200 [0,1,0,0,0,0|1,1,0]=3 200 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 AK-45230 [0,1,0,0,0,0|0,1,0]=2 201 B10R1.15 NC[C@@H](O)C1=CC=CN=C1 AK-96401 [0,1,0,0,0,0|1,1,0]=3 202 B10R1.15 N[C@H](C1=CC=CC=C1)CO AK-41249 [0,1,0,0,0,0|1,0,0]=2 203 B10R1.15 O=C(C1=NC=CC=C1)CBr AK-44981 [0,1,0,0,0,0|1,1,1]=4 204 B10R1.15 O=C(NC)C1=CC=CC=C1 AK323662 [0,1,0,0,0,0|0,1,1]=3 205 B10R1.15 O=CN(C)C1=CC=CC=C1 AK-48601 [0,1,0,0,0,0|1,1,0]=3 206 B10R1.15 O=S(C1=CC=CC=C1)OC AK109245 [0,1,0,0,0,0|1,1,0]=3 207 B10R1.15 OC(C1=CC=CC=C1)CBr AK-76552 [0,1,0,0,0,0|0,1,0]=2 208 B10R1.15 OC(C1=CC=CC=C1)CO AK117070 [0,1,0,0,0,0|0,1,0]=2 209 B10R1.15 OCC(=O)C1=CC=CC=C1 AK-94786 [0,1,0,0,0,0|0,1,1]=3 210 B10R1.15 OCC(N)C1=CC=CC=C1 AK-47370 [0,1,0,0,0,0|1,0,0]=2 211 B10R1.15 O[C@@H](C1=CC=CC=C1)CO AK-45210 [0,1,0,0,0,0|0,1,0]=2 212 B10R1.15 O[C@H](C1=CC=CC=C1)CO AK-33573 [0,1,0,0,0,0|0,1,0]=2 213 B10R1.15 [C@H](N)(C1=CC=CC=C1)CO AK-41260 [0,1,0,0,0,0|1,0,0]=2 214 B10R1.28 C1=C([S](O)(=O)=O)C=CC=C1 AK-51336 [0,1,0,0,0,0|2,1,0]=4 215 B10R1.28 CC(C)(C)C1=CC=NC=C1 AK-88357 [0,1,0,0,0,0|2,0,0]=3 216 B10R1.28 CC(C)(O)C1=NC=CC=C1 AK111321 [0,1,0,0,0,0|1,1,0]=3 217 B10R1.28 CC(N)(C1=CC=CC=C1)C AK116559 [0,1,0,0,0,0|1,0,0]=2 218 B10R1.28 CC(N)(C1=CC=CN=C1)C AK-86166 [0,1,0,0,0,0|2,0,0]=3 219 B10R1.28 CC(N)(C1=NC=CC=C1)C AK-64527 [0,1,0,0,0,0|2,0,0]=3 220 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 AK-59630 [0,1,0,0,0,0|2,0,0]=3 221 B10R1.28 C[Si](C)(C)C1=CC=CC=N1 AK-47822 [0,1,0,0,0,0|2,1,0]=4 222 B10R1.28 ClC(C1=CC=CN=C1)(Cl)Cl AK198586 [0,1,0,0,0,0|3,0,0]=4 223 B10R1.28 FC(F)(F)C1=CC=CC=N1 AK-27001 [0,1,0,0,0,0|3,0,0]=4 224 B10R1.28 F[B-](F)(F)C1=CC=CC=C1 AK105337 [0,1,0,0,0,0|3,0,0]=4 225 B10R1.28 O=S(C1=CC=CC=C1)(N)=O AK-77414 [0,1,0,0,0,0|2,1,0]=4 226 B10R1.61 C1=C(C(=CC=C1)B(O)O)O AK-45876 [0,1,0,0,0,0|2,1,0]=4 227 B10R1.61 C1=CC(=C(C=C1)N(C)C)N AK-65098 [0,1,0,0,0,0|2,0,0]=3 228 B10R1.61 C1=CC=CC(=C1B(O)O)Br AK-34317 [0,1,0,0,0,0|2,1,0]=4 229 B10R1.61 C1=CC=CC(=C1B(O)O)C AK-33581 [0,1,0,0,0,0|2,1,0]=4 230 B10R1.61 C1=CC=CC(=C1C(C)=O)Br AK-48030 [0,1,0,0,0,0|0,1,1]=3 231 B10R1.61 C1=CC=CC(=C1C(C)=O)N AK-27106 [0,1,0,0,0,0|0,1,1]=3 232 B10R1.61 C1=CC=CC(=C1C(O)=O)F AK-40433 [0,1,0,0,0,0|1,1,1]=4 233 B10R1.61 C1=CC=CC(=C1O)C(=O)C AK-44482 [0,1,0,0,0,0|0,1,1]=3 234 B10R1.61 CC(=O)C1=C(I)C=CC=C1 AK-84650 [0,1,0,0,0,0|0,1,1]=3 235 B10R1.61 CC(=O)C1=CC=CN=C1F AK-36408 [0,1,0,0,0,0|1,1,1]=4 236 B10R1.61 CC(=O)C1=CC=CN=C1N AK-61895 [0,1,0,0,0,0|1,1,1]=4 237 B10R1.61 CC(=O)C1=NC=CC=C1F AK-36671 [0,1,0,0,0,0|1,1,1]=4 238 B10R1.61 CC(C)C1=C(Cl)N=CN=C1 AK110098 [0,1,0,0,0,0|3,0,0]=4 239 B10R1.61 CC(C1=C(O)C=NC=C1)=O AK-68365 [0,1,0,0,0,0|1,1,1]=4 240 B10R1.61 CC(C1=CC=CC=C1Br)C AK-80369 [0,1,0,0,0,0|1,0,0]=2 241 B10R1.61 CC(C1=CC=CC=C1C)=O AK-76969 [0,1,0,0,0,0|0,1,1]=3 242 B10R1.61 CC(C1=CC=CC=C1F)=O AK-44672 [0,1,0,0,0,0|0,1,1]=3 243 B10R1.61 CC(C1=CC=CC=C1I)C AK113600 [0,1,0,0,0,0|1,0,0]=2 244 B10R1.61 CC(C1=CC=CN=C1C)=O AK-60286 [0,1,0,0,0,0|1,1,1]=4 245 B10R1.61 CC(C1=NC=CC=C1Br)=O AK-91392 [0,1,0,0,0,0|1,1,1]=4 246 B10R1.61 CC(C1=NC=CC=C1Cl)=O AK128527 [0,1,0,0,0,0|1,1,1]=4 247 B10R1.61 CC(C1=NC=CC=C1O)=O AK-57786 [0,1,0,0,0,0|1,1,1]=4 248 B10R1.61 CC(N)C1=CC=CC=C1Br AK548207 [0,1,0,0,0,0|1,0,0]=2 249 B10R1.61 CC(N)C1=CC=CC=C1Cl AK-78769 [0,1,0,0,0,0|1,0,0]=2 250 B10R1.61 CC(N)C1=CC=CC=C1Cl AK133214 [0,1,0,0,0,0|1,0,0]=2 251 B10R1.61 CC(N)C1=CC=CC=C1F AK-78757 [0,1,0,0,0,0|1,0,0]=2 252 B10R1.61 CC(N)C1=NC=CC=C1C AK670791 [0,1,0,0,0,0|2,0,0]=3 253 B10R1.61 CC(O)C1=C(F)C=NC=C1 AK174609 [0,1,0,0,0,0|1,1,0]=3 254 B10R1.61 CC(O)C1=CC=CN=C1Cl AK118779 [0,1,0,0,0,0|1,1,0]=3 255 B10R1.61 CN(C)C1=C(Br)C=NC=C1 AK113556 [0,1,0,0,0,0|3,0,0]=4 256 B10R1.61 CN(C)C1=C(O)C=CC=C1 AK-49738 [0,1,0,0,0,0|2,0,0]=3 257 B10R1.61 CN(C)C1=CC=CC=C1Br AK-86039 [0,1,0,0,0,0|2,0,0]=3 258 B10R1.61 C[C@@H](N)C1=CC=CC=C1Br AK114068 [0,1,0,0,0,0|1,0,0]=2 259 B10R1.61 C[C@@H](N)C1=CC=CC=C1Br AK155333 [0,1,0,0,0,0|1,0,0]=2 260 B10R1.61 C[C@@H](N)C1=CC=CC=C1C AK-45079 [0,1,0,0,0,0|1,0,0]=2 261 B10R1.61 C[C@@H](N)C1=CC=CC=C1Cl AK-42131 [0,1,0,0,0,0|1,0,0]=2 262 B10R1.61 C[C@@H](N)C1=CC=CC=C1F AK-33841 [0,1,0,0,0,0|1,0,0]=2 263 B10R1.61 C[C@@H](O)C1=CC=CC=C1Cl AK-49059 [0,1,0,0,0,0|0,1,0]=2 264 B10R1.61 C[C@H](N)C1=CC=CC=C1Br AK-59163 [0,1,0,0,0,0|1,0,0]=2 265 B10R1.61 C[C@H](N)C1=CC=CC=C1Br AK174547 [0,1,0,0,0,0|1,0,0]=2 266 B10R1.61 C[C@H](N)C1=CC=CC=C1C AK162902 [0,1,0,0,0,0|1,0,0]=2 267 B10R1.61 C[C@H](N)C1=CC=CC=C1F AK-36100 [0,1,0,0,0,0|1,0,0]=2 268 B10R1.61 C[C@H](N)C1=CC=CC=C1F AK162903 [0,1,0,0,0,0|1,0,0]=2 269 B10R1.61 C[C@H](O)C1=CC=CC=C1Cl AK-57726 [0,1,0,0,0,0|0,1,0]=2 270 B10R1.61 C[C@H](O)C1=CC=CC=C1F AK114295 [0,1,0,0,0,0|0,1,0]=2 271 B10R1.61 ClC1=C(C=CC=C1)B(O)O AK-34973 [0,1,0,0,0,0|2,1,0]=4 272 B10R1.61 FC1=C(C(=N)N)C=CC=C1 AK-16801-8 [0,1,0,0,0,0|2,0,1]=4 273 B10R1.61 FC1=C(C=CN=C1)C(C)=O AK-37142 [0,1,0,0,0,0|1,1,1]=4 274 B10R1.61 FC1=CC=CC=C1B(O)O AK-45733 [0,1,0,0,0,0|2,1,0]=4 275 B10R1.61 NC(C1=CC=CC=C1Br)C AK-50562 [0,1,0,0,0,0|1,0,0]=2 276 B10R1.61 NC1=C(C(C)C)C=NC=C1 AK349169 [0,1,0,0,0,0|2,0,0]=3 277 B10R1.61 NC1=CC=CC=C1B(O)O AK-77788 [0,1,0,0,0,0|2,1,0]=4 278 B10R1.61 N[C@@H](C1=CC=CC=C1F)C AK-42098 [0,1,0,0,0,0|1,0,0]=2 279 B10R1.61 O=C(N)C1=CC=CC=C1Br AK-47071 [0,1,0,0,0,0|1,1,1]=4 280 B10R1.61 O=C(N)C1=CC=CC=C1Cl AK128986 [0,1,0,0,0,0|1,1,1]=4 281 B10R1.61 O=C(N)C1=CC=CC=C1F AK161780 [0,1,0,0,0,0|1,1,1]=4 282 B10R1.61 O=C(N)C1=CC=CC=C1I AK115884 [0,1,0,0,0,0|1,1,1]=4 283 B10R1.61 O=C(N)C1=CC=CC=C1N AK109256 [0,1,0,0,0,0|1,1,1]=4 284 B10R1.61 O=C(O)C1=CC=CC=C1Br AK-77301 [0,1,0,0,0,0|1,1,1]=4 285 B10R1.61 O=C(O)C1=CC=CC=C1C AK116916 [0,1,0,0,0,0|1,1,1]=4 286 B10R1.61 O=C(O)C1=CC=CC=C1Cl AK-44481 [0,1,0,0,0,0|1,1,1]=4 287 B10R1.61 O=C(O)C1=CC=CC=C1I AK-73132 [0,1,0,0,0,0|1,1,1]=4 288 B10R1.61 O=C1C(C(C)=O)=CC=CN1 AK-35911 [0,1,0,0,0,0|1,1,1]=4 289 B10R1.61 O=C1C(C(C)=O)=CNC=C1 AK501394 [0,1,0,0,0,0|1,1,1]=4 290 B10R1.61 OB(C1=CC=CC=C1N)O AK-35638 [0,1,0,0,0,0|2,1,0]=4 291 B10R1.61 OC1=CC=CC=C1C(N)=O AK-81394 [0,1,0,0,0,0|1,1,1]=4 292 B10R1.61 OC1=CC=CC=C1C(O)=O AK397674 [0,1,0,0,0,0|1,1,1]=4 293 B10R1.61 [O-]C1=CC=CC=C1[N+]([O-])=O AK135512 [0,1,0,0,0,0|2,1,0]=4 294 B10R1.113 BrC1=CC(=CC=C1)C(F)F AK-50673 [0,1,0,0,0,0|2,0,0]=3 295 B10R1.113 BrC1=CC(=CN=C1)C(=C)C AK-40102 [0,1,0,0,0,0|2,0,1]=4 296 B10R1.113 BrC1=CC(=NC=C1)N(C)C AK-49151 [0,1,0,0,0,0|3,0,0]=4 297 B10R1.113 BrC1=NC=CC(=C1)N(C)C AK-49139 [0,1,0,0,0,0|3,0,0]=4 298 B10R1.113 C(C)(=O)C1=CC(=CN=C1)Br AK-25899 [0,1,0,0,0,0|1,1,1]=4 299 B10R1.113 C(C)(=O)C1=CC(=NC=C1)C AK-26955 [0,1,0,0,0,0|1,1,1]=4 300 B10R1.113 C(C)(=O)C1=NC(=CC=C1)Br AK-30565 [0,1,0,0,0,0|1,1,1]=4 301 B10R1.113 C1=C(C(C)=O)C=C(C=C1)O AK-46681 [0,1,0,0,0,0|0,1,1]=3 302 B10R1.113 C1=C(C=CC=C1Br)B(O)O AK-23693 [0,1,0,0,0,0|2,1,0]=4 303 B10R1.113 C1=C(C=CC=C1Cl)C(O)=O AK-43975 [0,1,0,0,0,0|1,1,1]=4 304 B10R1.113 C1=C(C=CC=C1F)C(O)=O AK-53854 [0,1,0,0,0,0|1,1,1]=4 305 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 AK-34279 [0,1,0,0,0,0|1,1,1]=4 306 B10R1.113 CC(C1=CC(Br)=CC=C1)C AK-61854 [0,1,0,0,0,0|1,0,0]=2 307 B10R1.113 CC(C1=CC(F)=CN=C1)=O AK101043 [0,1,0,0,0,0|1,1,1]=4 308 B10R1.113 CC(C1=CC(N)=NC=C1)=O AK134215 [0,1,0,0,0,0|1,1,1]=4 309 B10R1.113 CC(C1=CC=CC(Br)=C1)=O AK-44590 [0,1,0,0,0,0|0,1,1]=3 310 B10R1.113 CC(C1=CC=CC(C)=C1)=O AK143347 [0,1,0,0,0,0|0,1,1]=3 311 B10R1.113 CC(C1=NC(Cl)=CC=C1)=O AK-29671 [0,1,0,0,0,0|1,1,1]=4 312 B10R1.113 CC(C1=NC(F)=CC=C1)=O AK-74181 [0,1,0,0,0,0|1,1,1]=4 313 B10R1.113 CC(C1=NC=CC(C)=C1)=O AK-61872 [0,1,0,0,0,0|1,1,1]=4 314 B10R1.113 CC(C1=NC=CC(Cl)=C1)=O AK-30041 [0,1,0,0,0,0|1,1,1]=4 315 B10R1.113 CC(N)C1=CC=CC(C)=C1 AK-95787 [0,1,0,0,0,0|1,0,0]=2 316 B10R1.113 CC(O)C1=CC(N)=NC=C1 AK109512 [0,1,0,0,0,0|1,1,0]=3 317 B10R1.113 CC(O)C1=NC(Br)=CC=C1 AK-58995 [0,1,0,0,0,0|1,1,0]=3 318 B10R1.113 CC1=CC(B(O)O)=CC=C1 AK-41078 [0,1,0,0,0,0|2,1,0]=4 319 B10R1.113 CC1=CC=CC(=C1)C(N)=N AK-45199 [0,1,0,0,0,0|2,0,1]=4 320 B10R1.113 CC1=CC=CC(C(C)=O)=N1 AK-30134 [0,1,0,0,0,0|1,1,1]=4 321 B10R1.113 CN(C)C1=CC(F)=NC=C1 AK141581 [0,1,0,0,0,0|3,0,0]=4 322 B10R1.113 CN(C)C1=CC=CC(Br)=C1 AK-63444 [0,1,0,0,0,0|2,0,0]=3 323 B10R1.113 C[C@@H](C1=CC=CC(N)=C1)N AK326677 [0,1,0,0,0,0|1,0,0]=2 324 B10R1.113 C[C@@H](N)C1=CC(Br)=NC=C1 AK608012 [0,1,0,0,0,0|2,0,0]=3 325 B10R1.113 C[C@@H](N)C1=CC(Cl)=CN=C1 AK668419 [0,1,0,0,0,0|2,0,0]=3 326 B10R1.113 C[C@@H](N)C1=CC=CC(Br)=C1 AK-33750 [0,1,0,0,0,0|1,0,0]=2 327 B10R1.113 C[C@@H](N)C1=CC=CC(Br)=C1 AK338979 [0,1,0,0,0,0|1,0,0]=2 328 B10R1.113 C[C@@H](N)C1=CC=CC(C)=C1 AK-45077 [0,1,0,0,0,0|1,0,0]=2 329 B10R1.113 C[C@@H](N)C1=CC=CC(C)=C1 AK133442 [0,1,0,0,0,0|1,0,0]=2 330 B10R1.113 C[C@@H](N)C1=CC=CC(F)=C1 AK-29516 [0,1,0,0,0,0|1,0,0]=2 331 B10R1.113 C[C@@H](N)C1=NC(F)=CC=C1 AK668445 [0,1,0,0,0,0|2,0,0]=3 332 B10R1.113 C[C@@H](O)C1=CC=CC(Cl)=C1 AK103057 [0,1,0,0,0,0|0,1,0]=2 333 B10R1.113 C[C@H](N)C1=CC(F)=CN=C1 AK335908 [0,1,0,0,0,0|2,0,0]=3 334 B10R1.113 C[C@H](N)C1=CC=CC(Br)=C1 AK-33217 [0,1,0,0,0,0|1,0,0]=2 335 B10R1.113 C[C@H](N)C1=CC=CC(Br)=C1 AK338984 [0,1,0,0,0,0|1,0,0]=2 336 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 AK-35182 [0,1,0,0,0,0|1,0,0]=2 337 B10R1.113 C[C@H](O)C1=CC=CC(Br)=C1 AK-58281 [0,1,0,0,0,0|0,1,0]=2 338 B10R1.113 ClC1=CC=CC(=C1)B(O)O AK-47360 [0,1,0,0,0,0|2,1,0]=4 339 B10R1.113 FC(C1=CC(Cl)=NC=C1)F AK162317 [0,1,0,0,0,0|3,0,0]=4 340 B10R1.113 FC(C1=NC=CC(Br)=C1)F AK123527 [0,1,0,0,0,0|3,0,0]=4 341 B10R1.113 FC1=CC(B(O)O)=CC=C1 AK-45904 [0,1,0,0,0,0|2,1,0]=4 342 B10R1.113 IC1=CC=CC(=C1)B(O)O AK-45910 [0,1,0,0,0,0|2,1,0]=4 343 B10R1.113 N=C(N)C1=CC=CC(Br)=C1 AK-16801-7 [0,1,0,0,0,0|2,0,1]=4 344 B10R1.113 NC1=CC(C(C)=O)=CC=C1 AK-83273 [0,1,0,0,0,0|0,1,1]=3 345 B10R1.113 NC1=CC(C(F)F)=NC=C1 AK549120 [0,1,0,0,0,0|3,0,0]=4 346 B10R1.113 NC1=CC(N(C)C)=CC=C1 AK162007 [0,1,0,0,0,0|2,0,0]=3 347 B10R1.113 NC1=NC(C(C)C)=CC=C1 AK-29534 [0,1,0,0,0,0|2,0,0]=3 348 B10R1.113 NC1=NC=CC(C(F)F)=C1 AK161272 [0,1,0,0,0,0|3,0,0]=4 349 B10R1.113 N[C@@H](C1=CC=CC(F)=C1)C AK-45028 [0,1,0,0,0,0|1,0,0]=2 350 B10R1.113 N[C@H](C1=CC=CC(F)=C1)C AK-42995 [0,1,0,0,0,0|1,0,0]=2 351 B10R1.113 O=C(N)C1=CC=CC(Br)=C1 AK-61366 [0,1,0,0,0,0|1,1,1]=4 352 B10R1.113 O=C(O)C1=CC=CC(Br)=C1 AK-77039 [0,1,0,0,0,0|1,1,1]=4 353 B10R1.113 O=C(O)C1=CC=CC(C)=C1 AK116994 [0,1,0,0,0,0|1,1,1]=4 354 B10R1.113 O=C(O)C1=CC=CC(I)=C1 AK-40488 [0,1,0,0,0,0|1,1,1]=4 355 B10R1.113 O=C(O)C1=CC=CC(N)=C1 AK-41177 [0,1,0,0,0,0|1,1,1]=4 356 B10R1.113 O=C(O)C1=CC=CC(O)=C1 AK-50288 [0,1,0,0,0,0|1,1,1]=4 357 B10R1.113 OB(C1=CC=CC(N)=C1)O AK-27034 [0,1,0,0,0,0|2,1,0]=4 358 B10R1.113 OB(C1=CC=CC(N)=C1)O AK-43360 [0,1,0,0,0,0|2,1,0]=4 359 B10R1.113 OB(C1=CC=CC(N)=C1)O AK-44816 [0,1,0,0,0,0|2,1,0]=4 360 B10R1.113 OB(C1=CC=CC(O)=C1)O AK-44803 [0,1,0,0,0,0|2,1,0]=4 361 B10R1.113 OC1=CC=CC(N(C)C)=C1 AK-51741 [0,1,0,0,0,0|2,0,0]=3 362 B10R1.113 OC1=CC=CC([C@H](N)C)=C1 AK-77840 [0,1,0,0,0,0|1,0,0]=2 363 B10R2.320 BrC1C2=CC=CC=C2C1 AK163275 [0,0,0,1,0,0|1,0,0]=2 364 B10R2.320 C1=CC=CC2=C1CC2=O AK-72898 [0,0,0,1,0,0|0,1,1]=3 365 B8R1.7 CC(=O)C1=CC=CN1 AK-53458 [0,0,0,0,1,0|1,1,1]=4 366 B8R1.7 CC(=O)C1=CSC=C1 AK-44537 [0,0,0,0,1,0|1,1,1]=4 367 B8R1.7 CC(C1=CC=CO1)C AK120816 [0,0,0,0,1,0|2,0,0]=3 368 B8R1.7 CC(C1=NC=CN1)C AK106223 [0,0,0,0,1,0|3,0,0]=4 369 B8R1.7 CC(N)C1=NC=CS1 AK-77903 [0,0,0,0,1,0|3,0,0]=4 370 B8R1.7 CC(N)C1=NC=CS1 AK-77904 [0,0,0,0,1,0|3,0,0]=4 371 B8R1.7 CC(N1C=CN=C1)C AK-79287 [0,0,0,0,1,0|3,0,0]=4 372 B8R1.7 CC(N1N=CC=C1)C AK-61646 [0,0,0,0,1,0|3,0,0]=4 373 B8R1.7 C[C@@H](N)C1=NC=CS1 AK153996 [0,0,0,0,1,0|3,0,0]=4 374 B8R1.7 C[C@H](N)C1=CC=CO1 AK544263 [0,0,0,0,1,0|2,0,0]=3 375 B8R1.7 C[C@H](N)C1=CC=CS1 AK486945 [0,0,0,0,1,0|2,0,0]=3 376 B8R1.7 C[C@H](N)C1=NC=CS1 AK153993 [0,0,0,0,1,0|3,0,0]=4 377 B8R1.7 O=C(C1=CNC=C1)C AK-45953 [0,0,0,0,1,0|1,1,1]=4 378 B10R1.18 C1=C(C=CN=C1)CC(C)=O AK-47657 [0,0,0,0,0,1|1,1,1]=4 379 B10R1.18 CC(C)OC1=CC=CC=C1 AK110874 [0,0,0,0,0,1|1,0,0]=2 380 B10R1.18 CC(CC1=NC=CC=C1)=O AK-32596 [0,0,0,0,0,1|1,1,1]=4 381 B10R1.18 CC(OC1=CC=CN=C1)C AK167273 [0,0,0,0,0,1|2,0,0]=3 382 B10R1.18 CC(OC1=NC=CC=C1)C AK-47912 [0,0,0,0,0,1|2,0,0]=3 383 B10R1.18 C\C(C)=C/C1=CC=CC=C1 AK113914 [0,0,0,0,0,1|1,0,1]=3 384 B10R1.18 FC(F)OC1=CC=CC=C1 AK161726 [0,0,0,0,0,1|2,0,0]=3 385 B10R1.18 N=C(N)CC1=CC=CC=C1 AK-77604 [0,0,0,0,0,1|2,0,1]=4 386 B10R1.18 NC(NC1=CC=CC=C1)=N AK117130 [0,0,0,0,0,1|2,0,1]=4 387 B10R1.18 O=C(N)CC1=CC=CC=C1 AK-45803 [0,0,0,0,0,1|1,1,1]=4 388 B10R1.18 OC(=N)NC1=CC=CC=C1 AK-65147 [0,0,0,0,0,1|1,1,1]=4 389 B10R1.18 S=C(Cl)OC1=CC=CC=C1 AK163079 [0,0,0,0,0,1|1,0,2]=4 390 B10R1.18 S=C(N)NC1=CC=CC=C1 AK305328 [0,0,0,0,0,1|1,0,2]=4 391 B7R1.3 BrC1=CC=NC=C1 AK-47562 [2,0,0,0,0,0|2,0,0]=4 392 B7R1.3 C1=C(C)C=NC=N1 AK-30562 [2,0,0,0,0,0|2,0,0]=4 393 B7R1.3 C1=C(C)C=NN=C1 AK-30760 [2,0,0,0,0,0|2,0,0]=4 394 B7R1.3 C1=C(Cl)C=CN=C1 AK-50078 [2,0,0,0,0,0|2,0,0]=4 395 B7R1.3 CC1=CN=CC=N1 AK-88672 [2,0,0,0,0,0|2,0,0]=4 396 B7R1.3 CC1=NC=NC=C1 AK-34763 [2,0,0,0,0,0|2,0,0]=4 397 B7R1.3 FC1=CC=NC=C1 AK-61793 [2,0,0,0,0,0|2,0,0]=4 398 B7R1.3 IC1=CC=CC=C1 AK-88660 [2,0,0,0,0,0|1,0,0]=3 399 B7R1.3 IC1=CC=CN=C1 AK-46371 [2,0,0,0,0,0|2,0,0]=4 400 B7R1.3 IC1=CC=NC=C1 AK-47904 [2,0,0,0,0,0|2,0,0]=4 401 B7R1.3 IC1=NC=CC=C1 AK-43060 [2,0,0,0,0,0|2,0,0]=4 402 B7R1.3 O=C1C=COC=C1 AK110934 [2,0,0,0,0,0|1,1,0]=4 403 B7R1.3 OC1=CC=CN=C1 AK-44238 [2,0,0,0,0,0|1,1,0]=4 404 B7R1.3 OC1=CC=NC=C1 AK110406 [2,0,0,0,0,0|1,1,0]=4 405 B7R1.3 [S-]C1=CC=CC=C1 AK316593 [2,0,0,0,0,0|0,0,1]=3 406 B9R1.1 BrC1=CN=C(C=C1)CC AK-34965 [1,1,0,0,0,0|1,0,0]=3 407 B9R1.1 BrC1=CN=C(C=C1)NC AK-46585 [1,1,0,0,0,0|2,0,0]=4 408 B9R1.1 BrC1=NC=C(C=C1)OC AK-25274 [1,1,0,0,0,0|2,0,0]=4 409 B9R1.1 BrCC1=CN=C(C=C1)Cl AK-28919 [1,1,0,0,0,0|2,0,0]=4 410 B9R1.1 C1=C(C=CC(=C1)Br)C#C AK-39898 [1,1,0,0,0,0|0,0,2]=4 411 B9R1.1 C1=C(C=CC(=C1)CN)O AK-47356 [1,1,0,0,0,0|1,0,0]=3 412 B9R1.1 C1=C(C=CC(=C1)F)C#N AK-44484 [1,1,0,0,0,0|1,0,1]=4 413 B9R1.1 C1=C(C=CC(=C1)I)C=O AK-75599 [1,1,0,0,0,0|0,1,1]=4 414 B9R1.1 C1=C(C=NC(=C1)CO)Br AK-26386 [1,1,0,0,0,0|1,1,0]=4 415 B9R1.1 C1=C(NN)C=CC(=C1)C AK-47398 [1,1,0,0,0,0|2,0,0]=4 416 B9R1.1 C1=CC(=CC=C1Br)CC AK-47528 [1,1,0,0,0,0|0,0,0]=2 417 B9R1.1 C1=CC(=CC=C1CO)O AK-47325 [1,1,0,0,0,0|0,1,0]=3 418 B9R1.1 C1=CC(=CC=C1I)NC AK-39846 [1,1,0,0,0,0|1,0,0]=3 419 B9R1.1 C1=CC(=CN=C1OC)Br AK-32435 [1,1,0,0,0,0|2,0,0]=4 420 B9R1.1 C1=CC(=CN=C1OC)N AK-24754 [1,1,0,0,0,0|2,0,0]=4 421 B9R1.1 C1=CC(=NC=C1CO)Cl AK-28987 [1,1,0,0,0,0|1,1,0]=4 422 B9R1.1 CC1=CC=C(C=O)C=C1 AK-65210 [1,1,0,0,0,0|0,1,1]=4 423 B9R1.1 CC1=CC=C(CO)C=N1 AK-78311 [1,1,0,0,0,0|1,1,0]=4 424 B9R1.1 CC1=CN=C(OC)C=C1 AK-58301 [1,1,0,0,0,0|2,0,0]=4 425 B9R1.1 CC1=NC=C(CBr)C=C1 AK139052 [1,1,0,0,0,0|2,0,0]=4 426 B9R1.1 CC1=NC=C(CCl)C=C1 AK123163 [1,1,0,0,0,0|2,0,0]=4 427 B9R1.1 CCC1=CN=C(C=N1)C AK-58106 [1,1,0,0,0,0|2,0,0]=4 428 B9R1.1 CCC1=CN=C(Cl)C=C1 AK-48582 [1,1,0,0,0,0|1,0,0]=3 429 B9R1.1 CCC1=CN=C(N)N=C1 AK-31902 [1,1,0,0,0,0|2,0,0]=4 430 B9R1.1 CCC1=NC=C(Cl)C=C1 AK134672 [1,1,0,0,0,0|1,0,0]=3 431 B9R1.1 CNC1=CC=C(Cl)C=C1 AK129065 [1,1,0,0,0,0|1,0,0]=3 432 B9R1.1 CNC1=CC=C(F)C=C1 AK-87253 [1,1,0,0,0,0|1,0,0]=3 433 B9R1.1 CNC1=NC=C(Cl)C=C1 AK123580 [1,1,0,0,0,0|2,0,0]=4 434 B9R1.1 COC1=CC=C(Cl)C=C1 AK116963 [1,1,0,0,0,0|1,0,0]=3 435 B9R1.1 COC1=CC=C(I)C=C1 AK-44747 [1,1,0,0,0,0|1,0,0]=3 436 B9R1.1 COC1=CC=C(O)C=C1 AK-46469 [1,1,0,0,0,0|1,0,0]=3 437 B9R1.1 COC1=CN=C(Cl)C=C1 AK-33219 [1,1,0,0,0,0|2,0,0]=4 438 B9R1.1 COC1=CN=C(F)C=C1 AK-61561 [1,1,0,0,0,0|2,0,0]=4 439 B9R1.1 COC1=NC=C(Cl)C=C1 AK-44270 [1,1,0,0,0,0|2,0,0]=4 440 B9R1.1 COC1=NC=C(F)C=C1 AK-27023 [1,1,0,0,0,0|2,0,0]=4 441 B9R1.1 COC1=NC=C(I)C=C1 AK-58302 [1,1,0,0,0,0|2,0,0]=4 442 B9R1.1 CSC1=CN=C(N)C=C1 AK-40039 [1,1,0,0,0,0|2,0,0]=4 443 B9R1.1 ClC1=CC=C(C=C1)C#N AK-54448 [1,1,0,0,0,0|1,0,1]=4 444 B9R1.1 ClC1=CN=C(CBr)C=C1 AK164355 [1,1,0,0,0,0|2,0,0]=4 445 B9R1.1 ClC1=NC=C(C=N1)CC AK-32848 [1,1,0,0,0,0|2,0,0]=4 446 B9R1.1 ClCC1=NC=C(Br)C=C1 AK-47143 [1,1,0,0,0,0|2,0,0]=4 447 B9R1.1 IC1=CC=C(CBr)C=C1 AK-54650 [1,1,0,0,0,0|1,0,0]=3 448 B9R1.1 IC1=CC=C(CC)C=C1 AK121966 [1,1,0,0,0,0|0,0,0]=2 449 B9R1.1 N#CC1=CC=C(I)C=C1 AK-45950 [1,1,0,0,0,0|1,0,1]=4 450 B9R1.1 N#CC1=CC=C(N)C=C1 AK-41176 [1,1,0,0,0,0|1,0,1]=4 451 B9R1.1 NC1=CC=C(C#C)C=C1 AK-59413 [1,1,0,0,0,0|0,0,2]=4 452 B9R1.1 NC1=CC=C(C=N1)CO AK-29786 [1,1,0,0,0,0|1,1,0]=4 453 B9R1.1 NC1=CC=C(CC)N=C1 AK-78651 [1,1,0,0,0,0|1,0,0]=3 454 B9R1.1 NC1=CC=C(NC)C=C1 AK-86240 [1,1,0,0,0,0|1,0,0]=3 455 B9R1.1 NC1=CN=C(NC)C=C1 AK-75542 [1,1,0,0,0,0|2,0,0]=4 456 B9R1.1 NC1=CN=C(NC)C=C1 AK141591 [1,1,0,0,0,0|2,0,0]=4 457 B9R1.1 NC1=NC=C(C=C1)OC AK-27987 [1,1,0,0,0,0|2,0,0]=4 458 B9R1.1 NC1=NC=C(N=C1)CC AK-26631 [1,1,0,0,0,0|2,0,0]=4 459 B9R1.1 NCC1=CC=C(Br)C=C1 AK-46356 [1,1,0,0,0,0|1,0,0]=3 460 B9R1.1 NCC1=CC=C(Br)C=C1 AK-49170 [1,1,0,0,0,0|1,0,0]=3 461 B9R1.1 NCC1=CC=C(Br)N=C1 AK-27657 [1,1,0,0,0,0|2,0,0]=4 462 B9R1.1 NCC1=CC=C(Cl)C=C1 AK-44456 [1,1,0,0,0,0|1,0,0]=3 463 B9R1.1 NCC1=CC=C(F)N=C1 AK-67908 [1,1,0,0,0,0|2,0,0]=4 464 B9R1.1 NCC1=CC=C(I)C=C1 AK-81624 [1,1,0,0,0,0|1,0,0]=3 465 B9R1.1 NCC1=NC=C(Br)C=C1 AK-31901 [1,1,0,0,0,0|2,0,0]=4 466 B9R1.1 NCC1=NC=C(Br)C=C1 AK142316 [1,1,0,0,0,0|2,0,0]=4 467 B9R1.1 NCC1=NC=C(C)C=C1 AK150805 [1,1,0,0,0,0|2,0,0]=4 468 B9R1.1 NCC1=NC=C(Cl)C=C1 AK105180 [1,1,0,0,0,0|2,0,0]=4 469 B9R1.1 NCC1=NC=C(Cl)C=C1 AK145140 [1,1,0,0,0,0|2,0,0]=4 470 B9R1.1 NCC1=NC=C(F)C=C1 AK145177 [1,1,0,0,0,0|2,0,0]=4 471 B9R1.1 NNC1=CC=C(Br)C=C1 AK-26194 [1,1,0,0,0,0|2,0,0]=4 472 B9R1.1 NNC1=CC=C(Cl)C=C1 AK-41259 [1,1,0,0,0,0|2,0,0]=4 473 B9R1.1 NNC1=CC=C(Cl)C=C1 AK132992 [1,1,0,0,0,0|2,0,0]=4 474 B9R1.1 NNC1=CC=C(F)C=C1 AK-85652 [1,1,0,0,0,0|2,0,0]=4 475 B9R1.1 NNC1=CC=C(I)C=C1 AK-64633 [1,1,0,0,0,0|2,0,0]=4 476 B9R1.1 O=C1C=CC(CO)=CN1 AK-29768 [1,1,0,0,0,0|1,1,0]=4 477 B9R1.1 O=CC1=CC=C(Br)C=C1 AK-80048 [1,1,0,0,0,0|0,1,1]=4 478 B9R1.1 O=CC1=CC=C(Cl)C=C1 AK-76679 [1,1,0,0,0,0|0,1,1]=4 479 B9R1.1 O=CC1=CC=C(F)C=C1 AK-84401 [1,1,0,0,0,0|0,1,1]=4 480 B9R1.1 O=CC1=CC=C(O)C=C1 AK-77323 [1,1,0,0,0,0|0,1,1]=4 481 B9R1.1 OC1=CC=C(C=C)C=C1 AK113778 [1,1,0,0,0,0|0,0,2]=4 482 B9R1.1 OC1=CC=C(C=C1)C#N AK-44095 [1,1,0,0,0,0|1,0,1]=4 483 B9R1.1 OC1=CC=C(CO)N=C1 AK-68040 [1,1,0,0,0,0|1,1,0]=4 484 B9R1.1 OC1=CN=C(C=C1)OC AK-26060 [1,1,0,0,0,0|2,0,0]=4 485 B9R1.1 OCC1=CC=C(Br)C=C1 AK-93775 [1,1,0,0,0,0|0,1,0]=3 486 B9R1.1 OCC1=CC=C(Br)N=C1 AK-28751 [1,1,0,0,0,0|1,1,0]=4 487 B9R1.1 OCC1=CC=C(C)C=C1 AK-92302 [1,1,0,0,0,0|0,1,0]=3 488 B9R1.1 OCC1=CC=C(Cl)C=C1 AK-94754 [1,1,0,0,0,0|0,1,0]=3 489 B9R1.1 OCC1=CC=C(F)N=C1 AK-76831 [1,1,0,0,0,0|1,1,0]=4 490 B9R1.1 OCC1=CC=C(I)C=C1 AK-72872 [1,1,0,0,0,0|0,1,0]=3 491 B9R1.1 OCC1=CC=C(N)C=C1 AK-51503 [1,1,0,0,0,0|0,1,0]=3 492 B9R1.1 OCC1=NC=C(Cl)C=C1 AK136128 [1,1,0,0,0,0|1,1,0]=4 493 B9R1.1 OCC1=NC=C(F)C=C1 AK-36421 [1,1,0,0,0,0|1,1,0]=4 494 B9R1.2 BrC1=CC(=CN=C1)CC AK-54800 [1,1,0,0,0,0|1,0,0]=3 495 B9R1.2 BrC1=CC(=NC=C1)CN AK-30719 [1,1,0,0,0,0|2,0,0]=4 496 B9R1.2 BrC1=CC(C=C)=CC=C1 AK-76367 [1,1,0,0,0,0|0,0,2]=4 497 B9R1.2 BrC1=CN=CC(=C1)CO AK-29246 [1,1,0,0,0,0|1,1,0]=4 498 B9R1.2 BrC1=NC=CC(=C1)CO AK-25314 [1,1,0,0,0,0|1,1,0]=4 499 B9R1.2 BrCC1=CC(Br)=NC=C1 AK-53557 [1,1,0,0,0,0|2,0,0]=4 500 B9R1.2 BrCC1=CC(I)=CC=C1 AK-54649 [1,1,0,0,0,0|1,0,0]=3 501 B9R1.2 BrCC1=CC=CC(Br)=N1 AK-48524 [1,1,0,0,0,0|2,0,0]=4 502 B9R1.2 C#CC1=CC=CC(Br)=C1 AK-45287 [1,1,0,0,0,0|0,0,2]=4 503 B9R1.2 C1=C(C=CC=C1Br)C#N AK-47279 [1,1,0,0,0,0|1,0,1]=4 504 B9R1.2 C1=C(C=CC=C1C#C)N AK-27092 [1,1,0,0,0,0|0,0,2]=4 505 B9R1.2 C1=C(C=CC=C1C#N)O AK-47400 [1,1,0,0,0,0|1,0,1]=4 506 B9R1.2 C1=C(C=CC=C1Cl)C#C AK-47344 [1,1,0,0,0,0|0,0,2]=4 507 B9R1.2 C1=C(C=CC=C1F)NN AK-47492 [1,1,0,0,0,0|2,0,0]=4 508 B9R1.2 C1=C(C=CN=C1OC)N AK-28456 [1,1,0,0,0,0|2,0,0]=4 509 B9R1.2 C1=C(CO)C=CC=C1N AK-50595 [1,1,0,0,0,0|0,1,0]=3 510 B9R1.2 C1=C(NN)C=CC=C1Br AK-25693 [1,1,0,0,0,0|2,0,0]=4 511 B9R1.2 C1=C(NN)C=CC=C1C AK-47381 [1,1,0,0,0,0|2,0,0]=4 512 B9R1.2 C1=CC=C(N=C1OC)Br AK-25939 [1,1,0,0,0,0|2,0,0]=4 513 B9R1.2 C1=CC=C(N=C1OC)C AK-44038 [1,1,0,0,0,0|2,0,0]=4 514 B9R1.2 C1=CC=C(N=C1OC)Cl AK-25492 [1,1,0,0,0,0|2,0,0]=4 515 B9R1.2 CC1=CC(CCl)=NC=C1 AK-74194 [1,1,0,0,0,0|2,0,0]=4 516 B9R1.2 CC1=CC(CO)=NC=C1 AK-74173 [1,1,0,0,0,0|1,1,0]=4 517 B9R1.2 CC1=CC(OC)=NC=C1 AK-39493 [1,1,0,0,0,0|2,0,0]=4 518 B9R1.2 CC1=CC=CC(CBr)=N1 AK-44889 [1,1,0,0,0,0|2,0,0]=4 519 B9R1.2 CC1=CC=CC(CCl)=N1 AK-40015 [1,1,0,0,0,0|2,0,0]=4 520 B9R1.2 CC1=CN=CC(CBr)=C1 AK-56105 [1,1,0,0,0,0|2,0,0]=4 521 B9R1.2 CCC1=CC(N)=NC=C1 AK-29170 [1,1,0,0,0,0|1,0,0]=3 522 B9R1.2 CCC1=CC=CC(Br)=C1 AK111102 [1,1,0,0,0,0|0,0,0]=2 523 B9R1.2 CCC1=CC=CC(Br)=N1 AK-65167 [1,1,0,0,0,0|1,0,0]=3 524 B9R1.2 CCC1=NC=CC(Br)=C1 AK129552 [1,1,0,0,0,0|1,0,0]=3 525 B9R1.2 CNC1=CC(Br)=NC=C1 AK161537 [1,1,0,0,0,0|2,0,0]=4 526 B9R1.2 CNC1=CC=CC(Br)=C1 AK112706 [1,1,0,0,0,0|1,0,0]=3 527 B9R1.2 CNC1=NC(Cl)=CC=C1 AK-48574 [1,1,0,0,0,0|2,0,0]=4 528 B9R1.2 CNC1=NC=CC(Br)=C1 AK141589 [1,1,0,0,0,0|2,0,0]=4 529 B9R1.2 COC1=CC(Br)=CC=C1 AK-76817 [1,1,0,0,0,0|1,0,0]=3 530 B9R1.2 COC1=CC(Br)=NC=C1 AK-36780 [1,1,0,0,0,0|2,0,0]=4 531 B9R1.2 COC1=CC(C)=NC=C1 AK-67862 [1,1,0,0,0,0|2,0,0]=4 532 B9R1.2 COC1=CC(Cl)=CC=C1 AK106212 [1,1,0,0,0,0|1,0,0]=3 533 B9R1.2 COC1=CC(Cl)=NC=C1 AK-25114 [1,1,0,0,0,0|2,0,0]=4 534 B9R1.2 COC1=CC=CC(F)=N1 AK130132 [1,1,0,0,0,0|2,0,0]=4 535 B9R1.2 COC1=CN=CC(=C1)O AK-28499 [1,1,0,0,0,0|2,0,0]=4 536 B9R1.2 COC1=CN=CC(Br)=C1 AK-26045 [1,1,0,0,0,0|2,0,0]=4 537 B9R1.2 COC1=NC=CC(Br)=C1 AK-47404 [1,1,0,0,0,0|2,0,0]=4 538 B9R1.2 COC1=NC=CC(F)=C1 AK-77188 [1,1,0,0,0,0|2,0,0]=4 539 B9R1.2 COC1=NC=CC(I)=C1 AK-37008 [1,1,0,0,0,0|2,0,0]=4 540 B9R1.2 CSC1=CC=CC(Br)=N1 AK159822 [1,1,0,0,0,0|2,0,0]=4 541 B9R1.2 ClC1=CC(=NC=C1)CN AK-28137 [1,1,0,0,0,0|2,0,0]=4 542 B9R1.2 ClC1=CC(=NC=C1)CO AK-27991 [1,1,0,0,0,0|1,1,0]=4 543 B9R1.2 ClC1=CC(=NC=C1)OC AK-26290 [1,1,0,0,0,0|2,0,0]=4 544 B9R1.2 ClC1=CC(=NC=C1)SC AK-25786 [1,1,0,0,0,0|2,0,0]=4 545 B9R1.2 ClC1=CC(CO)=CC=C1 AK-51231 [1,1,0,0,0,0|0,1,0]=3 546 B9R1.2 ClC1=CC=CC(=N1)CO AK-28428 [1,1,0,0,0,0|1,1,0]=4 547 B9R1.2 ClC1=CN=CC(=C1)CO AK-23534 [1,1,0,0,0,0|1,1,0]=4 548 B9R1.2 ClC1=NC=CC(CBr)=C1 AK-50155 [1,1,0,0,0,0|2,0,0]=4 549 B9R1.2 ClC1=NC=CC(CBr)=C1 AK163959 [1,1,0,0,0,0|2,0,0]=4 550 B9R1.2 ClCC1=CC(=CN=C1)C AK-33495 [1,1,0,0,0,0|2,0,0]=4 551 B9R1.2 ClCC1=CC(I)=CC=C1 AK-94390 [1,1,0,0,0,0|1,0,0]=3 552 B9R1.2 ClCC1=CC=CC(Br)=N1 AK151971 [1,1,0,0,0,0|2,0,0]=4 553 B9R1.2 ClCC1=CN=CC(Br)=C1 AK-88388 [1,1,0,0,0,0|2,0,0]=4 554 B9R1.2 ClCC1=NC=CC(Cl)=C1 AK-46990 [1,1,0,0,0,0|2,0,0]=4 555 B9R1.2 FC1=CC(CO)=CC=C1 AK-51232 [1,1,0,0,0,0|0,1,0]=3 556 B9R1.2 FC1=CC=CC(CBr)=N1 AK-77216 [1,1,0,0,0,0|2,0,0]=4 557 B9R1.2 FC1=CC=CC(CCl)=N1 AK137993 [1,1,0,0,0,0|2,0,0]=4 558 B9R1.2 N#CC1=CC=CC(I)=C1 AK-76942 [1,1,0,0,0,0|1,0,1]=4 559 B9R1.2 NC1=CC(=CN=C1)OC AK-27775 [1,1,0,0,0,0|2,0,0]=4 560 B9R1.2 NC1=CC(NC)=NC=C1 AK118733 [1,1,0,0,0,0|2,0,0]=4 561 B9R1.2 NC1=CC=CC(C#C)=C1 AK119642 [1,1,0,0,0,0|0,0,2]=4 562 B9R1.2 NC1=CC=CC(CN)=C1 AK-76655 [1,1,0,0,0,0|1,0,0]=3 563 B9R1.2 NC1=CC=CC(CO)=N1 AK-85732 [1,1,0,0,0,0|1,1,0]=4 564 B9R1.2 NC1=CC=CC(OC)=C1 AK309398 [1,1,0,0,0,0|1,0,0]=3 565 B9R1.2 NC1=CC=CC(SC)=C1 AK162933 [1,1,0,0,0,0|1,0,0]=3 566 B9R1.2 NC1=NC(=CC=C1)OC AK-27734 [1,1,0,0,0,0|2,0,0]=4 567 B9R1.2 NC1=NC(CC)=CC=C1 AK-28992 [1,1,0,0,0,0|1,0,0]=3 568 B9R1.2 NC1=NC=CC(=C1)CN AK-28487 [1,1,0,0,0,0|2,0,0]=4 569 B9R1.2 NC1=NC=CC(=C1)OC AK-25255 [1,1,0,0,0,0|2,0,0]=4 570 B9R1.2 NCC1=CC(Br)=NC=C1 AK111031 [1,1,0,0,0,0|2,0,0]=4 571 B9R1.2 NCC1=CC(C)=NC=C1 AK130210 [1,1,0,0,0,0|2,0,0]=4 572 B9R1.2 NCC1=CC(Cl)=NC=C1 AK-90264 [1,1,0,0,0,0|2,0,0]=4 573 B9R1.2 NCC1=CC(F)=CC=C1 AK-80195 [1,1,0,0,0,0|1,0,0]=3 574 B9R1.2 NCC1=CC(F)=NC=C1 AK186950 [1,1,0,0,0,0|2,0,0]=4 575 B9R1.2 NCC1=CC=CC(Br)=C1 AK-49144 [1,1,0,0,0,0|1,0,0]=3 576 B9R1.2 NCC1=CC=CC(C)=C1 AK-98167 [1,1,0,0,0,0|1,0,0]=3 577 B9R1.2 NCC1=CC=CC(Cl)=C1 AK-89641 [1,1,0,0,0,0|1,0,0]=3 578 B9R1.2 NCC1=CC=CC(I)=C1 AK-46127 [1,1,0,0,0,0|1,0,0]=3 579 B9R1.2 NCC1=NC(Br)=CC=C1 AK-39249 [1,1,0,0,0,0|2,0,0]=4 580 B9R1.2 NCC1=NC(Br)=CC=C1 AK-79055 [1,1,0,0,0,0|2,0,0]=4 581 B9R1.2 NCC1=NC(Cl)=CC=C1 AK105012 [1,1,0,0,0,0|2,0,0]=4 582 B9R1.2 NCC1=NC(F)=CC=C1 AK112462 [1,1,0,0,0,0|2,0,0]=4 583 B9R1.2 NCC1=NC=CC(Br)=C1 AK-76280 [1,1,0,0,0,0|2,0,0]=4 584 B9R1.2 NCC1=NC=CC(Cl)=C1 AK164315 [1,1,0,0,0,0|2,0,0]=4 585 B9R1.2 NCC1=NC=CC(F)=C1 AK133025 [1,1,0,0,0,0|2,0,0]=4 586 B9R1.2 NNC1=CC=CC(Cl)=C1 AK-46617 [1,1,0,0,0,0|2,0,0]=4 587 B9R1.2 O=C1C=C(CC)C=NN1 AK132530 [1,1,0,0,0,0|2,0,0]=4 588 B9R1.2 O=C1C=C(OC)C=CN1 AK-35484 [1,1,0,0,0,0|2,0,0]=4 589 B9R1.2 O=C1NC=NC(CC)=C1 AK100022 [1,1,0,0,0,0|2,0,0]=4 590 B9R1.2 O=CC1=CC=CC(Br)=C1 AK-77027 [1,1,0,0,0,0|0,1,1]=4 591 B9R1.2 O=CC1=CC=CC(Cl)=C1 AK-68812 [1,1,0,0,0,0|0,1,1]=4 592 B9R1.2 O=CC1=CC=CC(F)=C1 AK112743 [1,1,0,0,0,0|0,1,1]=4 593 B9R1.2 O=CC1=CC=CC(I)=C1 AK-50045 [1,1,0,0,0,0|0,1,1]=4 594 B9R1.2 O=CC1=CC=CC(N)=C1 AK121859 [1,1,0,0,0,0|0,1,1]=4 595 B9R1.2 O=CC1=CC=CC(O)=C1 AK-77369 [1,1,0,0,0,0|0,1,1]=4 596 B9R1.2 OC1=CC(=CC=C1)C#C AK111295 [1,1,0,0,0,0|0,0,2]=4 597 B9R1.2 OC1=CC(CBr)=CC=C1 AK-99880 [1,1,0,0,0,0|1,0,0]=3 598 B9R1.2 OC1=CC(OC)=NC=C1 AK-68345 [1,1,0,0,0,0|2,0,0]=4 599 B9R1.2 OCC1=CC(=O)NC=C1 AK-72519 [1,1,0,0,0,0|1,1,0]=4 600 B9R1.2 OCC1=CC(C)=CN=C1 AK130310 [1,1,0,0,0,0|1,1,0]=4 601 B9R1.2 OCC1=CC(C)=NC=C1 AK-32751 [1,1,0,0,0,0|1,1,0]=4 602 B9R1.2 OCC1=CC(Cl)=NC=C1 AK-32643 [1,1,0,0,0,0|1,1,0]=4 603 B9R1.2 OCC1=CC(F)=NC=C1 AK-57689 [1,1,0,0,0,0|1,1,0]=4 604 B9R1.2 OCC1=CC(N)=CN=C1 AK135137 [1,1,0,0,0,0|1,1,0]=4 605 B9R1.2 OCC1=CC(N)=NC=C1 AK-25275 [1,1,0,0,0,0|1,1,0]=4 606 B9R1.2 OCC1=CC=CC(Br)=C1 AK110441 [1,1,0,0,0,0|0,1,0]=3 607 B9R1.2 OCC1=CC=CC(Br)=N1 AK-34739 [1,1,0,0,0,0|1,1,0]=4 608 B9R1.2 OCC1=NC(C)=CC=C1 AK-47726 [1,1,0,0,0,0|1,1,0]=4 609 B9R1.2 OCC1=NC(Cl)=CC=C1 AK-29179 [1,1,0,0,0,0|1,1,0]=4 610 B9R1.2 OCC1=NC=CC(Br)=C1 AK-25360 [1,1,0,0,0,0|1,1,0]=4 611 B9R1.8 BrCCC1=CC=CC=C1 AK-54085 [1,1,0,0,0,0|0,0,0]=2 612 B9R1.8 C1=C(C=CC=C1)CON AK-49180 [1,1,0,0,0,0|0,1,0]=3 613 B9R1.8 C1=C(CCN)N=CC=C1 AK-73075 [1,1,0,0,0,0|1,0,0]=3 614 B9R1.8 C1=C(CNN)C=CC=C1 AK-72938 [1,1,0,0,0,0|1,0,0]=3 615 B9R1.8 C1=C(N=CC=C1)COC AK-32294 [1,1,0,0,0,0|1,0,0]=3 616 B9R1.8 C1=CC=NN=C1OCC AK-50551 [1,1,0,0,0,0|2,0,0]=4 617 B9R1.8 CCCC1=CC=NC=C1 AK109267 [1,1,0,0,0,0|1,0,0]=3 618 B9R1.8 CCCC1=NC=CN=C1 AK305719 [1,1,0,0,0,0|2,0,0]=4 619 B9R1.8 CCNC1=CC=CN=C1 AK126739 [1,1,0,0,0,0|1,0,0]=3 620 B9R1.8 CCNC1=NC=CN=C1 AK159718 [1,1,0,0,0,0|2,0,0]=4 621 B9R1.8 CCOC1=NC=CC=C1 AK-88755 [1,1,0,0,0,0|1,0,0]=3 622 B9R1.8 CCOC1=NN=CC=C1 AK-50365 [1,1,0,0,0,0|2,0,0]=4 623 B9R1.8 CNCC1=CC=CN=C1 AK-77094 [1,1,0,0,0,0|1,0,0]=3 624 B9R1.8 CNCC1=CC=NC=C1 AK-36140 [1,1,0,0,0,0|1,0,0]=3 625 B9R1.8 CNCC1=NC=CC=C1 AK-82805 [1,1,0,0,0,0|1,0,0]=3 626 B9R1.8 CNCC1=NC=CC=N1 AK-26868 [1,1,0,0,0,0|2,0,0]=4 627 B9R1.8 CNCC1=NC=CN=C1 AK-32984 [1,1,0,0,0,0|2,0,0]=4 628 B9R1.8 CNNC1=CC=CC=C1 AK119038 [1,1,0,0,0,0|1,0,0]=3 629 B9R1.8 N#CCC1=CC=CN=C1 AK-44402 [1,1,0,0,0,0|1,0,1]=4 630 B9R1.8 NCCC1=CC=CN=C1 AK-45879 [1,1,0,0,0,0|1,0,0]=3 631 B9R1.8 NNCC1=CC=CN=C1 AK-50063 [1,1,0,0,0,0|2,0,0]=4 632 B9R1.8 NOCC1=CC=CC=C1 AK-82317 [1,1,0,0,0,0|0,1,0]=3 633 B9R1.8 OCCC1=CN=CN=C1 AK-32465 [1,1,0,0,0,0|2,0,0]=4 634 B9R1.8 OCCC1=NC=CN=C1 AK-45393 [1,1,0,0,0,0|2,0,0]=4 635 B9R1.8 ONCC1=CC=CC=C1 AK-49662 [1,1,0,0,0,0|0,1,0]=3 636 B9R1.8 ONCC1=CC=CC=C1 AK110567 [1,1,0,0,0,0|0,1,0]=3 637 B9R1.15 BrC1=C(C=NC=C1)OC AK-46696 [1,1,0,0,0,0|2,0,0]=4 638 B9R1.15 BrC1=CC=CN=C1OC AK-33153 [1,1,0,0,0,0|2,0,0]=4 639 B9R1.15 BrCC1=C(I)C=CC=C1 AK-54648 [1,1,0,0,0,0|1,0,0]=3 640 B9R1.15 BrCC1=NC=CC=C1Br AK158877 [1,1,0,0,0,0|2,0,0]=4 641 B9R1.15 C#CC1=CC=CC=C1Br AK-45286 [1,1,0,0,0,0|0,0,2]=4 642 B9R1.15 C(C)C1=NC=NC=C1F AK-23771 [1,1,0,0,0,0|2,0,0]=4 643 B9R1.15 C1=C(C(=CC=C1)Br)CC AK-46714 [1,1,0,0,0,0|0,0,0]=2 644 B9R1.15 C1=C(C(=CC=C1)Br)CN AK-73129 [1,1,0,0,0,0|1,0,0]=3 645 B9R1.15 C1=C(C(=CC=C1)Cl)CO AK-46748 [1,1,0,0,0,0|0,1,0]=3 646 B9R1.15 C1=C(I)C(=NC=C1)OC AK-25295 [1,1,0,0,0,0|2,0,0]=4 647 B9R1.15 C1=CC=CC(=C1C#N)Br AK-46715 [1,1,0,0,0,0|1,0,1]=4 648 B9R1.15 C1=CC=CC(=C1C#N)O AK-47282 [1,1,0,0,0,0|1,0,1]=4 649 B9R1.15 C1=CC=CC(=C1CO)Br AK-51234 [1,1,0,0,0,0|0,1,0]=3 650 B9R1.15 C1=CC=CC(=C1NN)Br AK-35375 [1,1,0,0,0,0|2,0,0]=4 651 B9R1.15 C1=CC=CC(=C1NN)C AK-46554 [1,1,0,0,0,0|2,0,0]=4 652 B9R1.15 C1=CC=CC(=C1NN)Cl AK-37033 [1,1,0,0,0,0|2,0,0]=4 653 B9R1.15 C1=CC=CC(=C1O)CO AK-47595 [1,1,0,0,0,0|0,1,0]=3 654 B9R1.15 C1=CC=CC(=C1OC)F AK-46555 [1,1,0,0,0,0|1,0,0]=3 655 B9R1.15 C1=NC(=C(C=C1)CO)N AK-23581 [1,1,0,0,0,0|1,1,0]=4 656 B9R1.15 C=CC1=CC=CC=C1Cl AK114259 [1,1,0,0,0,0|0,0,2]=4 657 B9R1.15 CC1=C(CBr)C=NC=C1 AK137963 [1,1,0,0,0,0|2,0,0]=4 658 B9R1.15 CC1=C(CCl)C=NC=C1 AK143692 [1,1,0,0,0,0|2,0,0]=4 659 B9R1.15 CC1=CC=CC=C1CC AK-49977 [1,1,0,0,0,0|0,0,0]=2 660 B9R1.15 CC1=CC=CN=C1CCl AK-77025 [1,1,0,0,0,0|2,0,0]=4 661 B9R1.15 CC1=CC=CN=C1OC AK126197 [1,1,0,0,0,0|2,0,0]=4 662 B9R1.15 CC1=NC=CN=C1CC AK114356 [1,1,0,0,0,0|2,0,0]=4 663 B9R1.15 CCC1=C(Br)C=CN=C1 AK328293 [1,1,0,0,0,0|1,0,0]=3 664 B9R1.15 CCC1=C(Br)C=NC=C1 AK-81618 [1,1,0,0,0,0|1,0,0]=3 665 B9R1.15 CCC1=C(Cl)N=CC=N1 AK-54851 [1,1,0,0,0,0|2,0,0]=4 666 B9R1.15 CCC1=CN=CN=C1Cl AK-25151 [1,1,0,0,0,0|2,0,0]=4 667 B9R1.15 CCC1=NC=CC=C1Br AK128590 [1,1,0,0,0,0|1,0,0]=3 668 B9R1.15 CCC1=NC=NC=C1Br AK105597 [1,1,0,0,0,0|2,0,0]=4 669 B9R1.15 CNC1=CC=CC=C1Cl AK163346 [1,1,0,0,0,0|1,0,0]=3 670 B9R1.15 CNC1=CC=CC=C1F AK-48931 [1,1,0,0,0,0|1,0,0]=3 671 B9R1.15 CNC1=CC=CN=C1Cl AK115045 [1,1,0,0,0,0|2,0,0]=4 672 B9R1.15 CNC1=NC=CC=C1Cl AK140218 [1,1,0,0,0,0|2,0,0]=4 673 B9R1.15 COC1=C(Br)C=NC=C1 AK-36460 [1,1,0,0,0,0|2,0,0]=4 674 B9R1.15 COC1=C(I)C=NC=C1 AK-26421 [1,1,0,0,0,0|2,0,0]=4 675 B9R1.15 COC1=CC=CC=C1Br AK-76806 [1,1,0,0,0,0|1,0,0]=3 676 B9R1.15 COC1=CC=CN=C1Br AK-29048 [1,1,0,0,0,0|2,0,0]=4 677 B9R1.15 COC1=CC=CN=C1F AK-63160 [1,1,0,0,0,0|2,0,0]=4 678 B9R1.15 COC1=NC=CC=C1Cl AK-33154 [1,1,0,0,0,0|2,0,0]=4 679 B9R1.15 COC1=NC=CC=C1F AK-33314 [1,1,0,0,0,0|2,0,0]=4 680 B9R1.15 ClC1=C(C=CC=C1)C#C AK-30160 [1,1,0,0,0,0|0,0,2]=4 681 B9R1.15 ClC1=CC=CN=C1CBr AK138503 [1,1,0,0,0,0|2,0,0]=4 682 B9R1.15 ClCC1=NC=CC=C1Cl AK109982 [1,1,0,0,0,0|2,0,0]=4 683 B9R1.15 ClCC1=NC=CC=C1Cl AK138192 [1,1,0,0,0,0|2,0,0]=4 684 B9R1.15 FC1=C(C=CN=C1)CN AK-49033 [1,1,0,0,0,0|2,0,0]=4 685 B9R1.15 FC1=CC=CN=C1CBr AK128379 [1,1,0,0,0,0|2,0,0]=4 686 B9R1.15 FC1=CC=CN=C1CCl AK109609 [1,1,0,0,0,0|2,0,0]=4 687 B9R1.15 FC1=CC=CN=C1CO AK-29127 [1,1,0,0,0,0|1,1,0]=4 688 B9R1.15 FC1=NC=CC=C1CN AK-30140 [1,1,0,0,0,0|2,0,0]=4 689 B9R1.15 N#CC1=CC=CC=C1Cl AK-44438 [1,1,0,0,0,0|1,0,1]=4 690 B9R1.15 N#CC1=CC=CC=C1F AK-88419 [1,1,0,0,0,0|1,0,1]=4 691 B9R1.15 N#CC1=CC=CC=C1I AK-76636 [1,1,0,0,0,0|1,0,1]=4 692 B9R1.15 NC1=C(C=CN=C1)OC AK-27262 [1,1,0,0,0,0|2,0,0]=4 693 B9R1.15 NC1=C(C=O)C=CC=C1 AK-45623 [1,1,0,0,0,0|0,1,1]=4 694 B9R1.15 NC1=C(OC)C=NC=C1 AK-46304 [1,1,0,0,0,0|2,0,0]=4 695 B9R1.15 NC1=CC=CC=C1C#C AK-45718 [1,1,0,0,0,0|0,0,2]=4 696 B9R1.15 NC1=CC=CC=C1C=C AK100084 [1,1,0,0,0,0|0,0,2]=4 697 B9R1.15 NC1=CC=CC=C1NC AK-35283 [1,1,0,0,0,0|1,0,0]=3 698 B9R1.15 NC1=CC=CN=C1OC AK-28363 [1,1,0,0,0,0|2,0,0]=4 699 B9R1.15 NC1=NC=CC=C1OC AK-25256 [1,1,0,0,0,0|2,0,0]=4 700 B9R1.15 NC1=NC=CN=C1CC AK-30572 [1,1,0,0,0,0|2,0,0]=4 701 B9R1.15 NCC1=CC=CC=C1C AK-89642 [1,1,0,0,0,0|1,0,0]=3 702 B9R1.15 NCC1=CC=CC=C1Cl AK-78184 [1,1,0,0,0,0|1,0,0]=3 703 B9R1.15 NCC1=CC=CC=C1F AK-88519 [1,1,0,0,0,0|1,0,0]=3 704 B9R1.15 NCC1=CC=CC=C1I AK-94126 [1,1,0,0,0,0|1,0,0]=3 705 B9R1.15 NCC1=NC=CC=C1C AK122548 [1,1,0,0,0,0|2,0,0]=4 706 B9R1.15 NCC1=NC=CC=C1Cl AK-41569 [1,1,0,0,0,0|2,0,0]=4 707 B9R1.15 NNC1=CC=CC=C1Br AK-33609 [1,1,0,0,0,0|2,0,0]=4 708 B9R1.15 NNC1=CC=CC=C1F AK-78527 [1,1,0,0,0,0|2,0,0]=4 709 B9R1.15 NNC1=CC=CC=C1I AK198825 [1,1,0,0,0,0|2,0,0]=4 710 B9R1.15 O=C1C(CC)=CC=NN1 AK132188 [1,1,0,0,0,0|2,0,0]=4 711 B9R1.15 O=C1C(CC)=NC=CN1 AK198883 [1,1,0,0,0,0|2,0,0]=4 712 B9R1.15 O=C1C(CN)=CC=CN1 AK-76048 [1,1,0,0,0,0|2,0,0]=4 713 B9R1.15 O=CC1=CC=CC=C1Br AK-50022 [1,1,0,0,0,0|0,1,1]=4 714 B9R1.15 O=CC1=CC=CC=C1F AK-88670 [1,1,0,0,0,0|0,1,1]=4 715 B9R1.15 O=CC1=CC=CC=C1I AK-94125 [1,1,0,0,0,0|0,1,1]=4 716 B9R1.15 O=CC1=CC=CC=C1N AK550048 [1,1,0,0,0,0|0,1,1]=4 717 B9R1.15 OC1=CC=CC=C1CN AK-49022 [1,1,0,0,0,0|1,0,0]=3 718 B9R1.15 OC1=CC=CC=C1CN AK167666 [1,1,0,0,0,0|1,0,0]=3 719 B9R1.15 OC1=CC=CC=C1OC AK114448 [1,1,0,0,0,0|1,0,0]=3 720 B9R1.15 OC1=CC=CN=C1CN AK-82086 [1,1,0,0,0,0|2,0,0]=4 721 B9R1.15 OC1=CC=CN=C1OC AK261041 [1,1,0,0,0,0|2,0,0]=4 722 B9R1.15 OCC1=C(Br)C=CN=C1 AK-86110 [1,1,0,0,0,0|1,1,0]=4 723 B9R1.15 OCC1=C(Br)C=NC=C1 AK-38288 [1,1,0,0,0,0|1,1,0]=4 724 B9R1.15 OCC1=C(Cl)C=CN=C1 AK124400 [1,1,0,0,0,0|1,1,0]=4 725 B9R1.15 OCC1=C(F)C=NC=C1 AK-90171 [1,1,0,0,0,0|1,1,0]=4 726 B9R1.15 OCC1=C(N)C=CN=C1 AK-58822 [1,1,0,0,0,0|1,1,0]=4 727 B9R1.15 OCC1=C(N)C=NC=C1 AK-74165 [1,1,0,0,0,0|1,1,0]=4 728 B9R1.15 OCC1=CC=CC=C1I AK-77177 [1,1,0,0,0,0|0,1,0]=3 729 B9R1.15 OCC1=CC=CC=C1N AK-49868 [1,1,0,0,0,0|0,1,0]=3 730 B9R1.15 OCC1=CC=CN=C1Cl AK-23619 [1,1,0,0,0,0|1,1,0]=4 731 B9R1.15 OCC1=CC=CN=C1F AK-33110 [1,1,0,0,0,0|1,1,0]=4 732 B9R1.15 OCC1=NC=CC=C1Cl AK133056 [1,1,0,0,0,0|1,1,0]=4 733 B9R1.11 NC(C1=CC=CS1)CO AK684513 [0,1,0,0,1,0|2,0,0]=4 734 B11R1.20 C1=CC(=CC=C1CC(C)=O)F AK-50578 [0,1,0,0,0,1|0,1,1]=4 735 B11R1.20 CC(NC1=CC=C(C)C=C1)=O AK208638 [0,1,0,0,0,1|0,1,1]=4 736 B11R1.20 CC(NC1=CC=C(F)C=C1)C AK-53729 [0,1,0,0,0,1|1,0,0]=3 737 B11R1.20 CC(NC1=CC=C(I)C=C1)=O AK115722 [0,1,0,0,0,1|0,1,1]=4 738 B11R1.20 CC(OC1=CN=C(Cl)C=C1)C AK143478 [0,1,0,0,0,1|2,0,0]=4 739 B11R1.20 NC1=CC=C(CN(C)C)C=C1 AK-35964 [0,1,0,0,0,1|2,0,0]=4 740 B11R1.20 NC1=CC=C(OC(C)C)C=C1 AK-42665 [0,1,0,0,0,1|1,0,0]=3 741 B11R1.20 OC1=CC=C(OC(F)F)C=C1 AK116337 [0,1,0,0,0,1|2,0,0]=4 742 B11R1.36 CC(C(C1=CC=CC=C1)=O)=O AK116651 [0,1,0,0,0,1|0,1,1]=4 743 B11R1.36 CC(C)[C@@H](C1=CC=CC=C1)N AK-42222 [0,1,0,0,0,1|1,0,0]=3 744 B11R1.36 CC(C)[C@H](C1=CC=CC=C1)N AK-41685 [0,1,0,0,0,1|1,0,0]=3 745 B11R1.36 C[C@@H](O)[C@H](N)C1=CC=CC=C1 AK608029 [0,1,0,0,0,1|0,1,0]=3 746 B11R1.36 C[C@H](O)[C@H](N)C1=CC=CC=C1 AK608030 [0,1,0,0,0,1|0,1,0]=3 747 B11R1.40 C=C[C@@H](N)CC1=CC=CC=C1 AK142273 [0,1,0,0,0,1|1,0,1]=4 748 B11R1.40 O=C(NC1=CC=CC=C1)CCl AK-95957 [0,1,0,0,0,1|0,1,1]=4 749 B11R1.40 O=C(OC)CC1=CC=CC=C1 AK163377 [0,1,0,0,0,1|0,1,1]=4 750 B11R1.40 O=C(OC)OC1=CC=CC=C1 AK600729 [0,1,0,0,0,1|0,1,1]=4 751 B11R1.40 O=C(OC1=CC=CC=C1)CBr AK105971 [0,1,0,0,0,1|0,1,1]=4 752 B11R1.40 OCC(N)CC1=CC=CC=C1 AK-33528 [0,1,0,0,0,1|1,0,0]=3 753 B11R1.40 OC[C@@H](N)CC1=CC=CC=C1 AK-46725 [0,1,0,0,0,1|1,0,0]=3 754 B11R1.40 OC[C@H](N)CC1=CC=CC=C1 AK-45609 [0,1,0,0,0,1|1,0,0]=3 755 B11R1.86 C1=C(CC(=O)C)C(=CC=C1)Br AK-47295 [0,1,0,0,0,1|0,1,1]=4 756 B11R1.86 C1=C(OC(C)C)C(=CC=C1)N AK-39887 [0,1,0,0,0,1|1,0,0]=3 757 B11R1.86 CC(C)OC1=CC=CC=C1Br AK-45390 [0,1,0,0,0,1|1,0,0]=3 758 B11R1.86 CC(CC1=CC=CC=C1F)=O AK117069 [0,1,0,0,0,1|0,1,1]=4 759 B11R1.86 CC(NC1=CC=CC=C1N)=O AK112083 [0,1,0,0,0,1|0,1,1]=4 760 B11R1.86 CC(NC1=CC=CC=C1O)=O AK116958 [0,1,0,0,0,1|0,1,1]=4 761 B11R1.86 CC(OC1=NC=CC=C1Br)C AK127008 [0,1,0,0,0,1|2,0,0]=4 762 B11R1.86 FC(F)OC1=CC=CC=C1Br AK-61615 [0,1,0,0,0,1|2,0,0]=4 763 B11R1.86 IC1=CC=CC=C1OC(F)F AK136295 [0,1,0,0,0,1|2,0,0]=4 764 B11R1.86 OC1=CC=CC=C1OC(F)F AK135667 [0,1,0,0,0,1|2,0,0]=4 765 B11R1.157 CC(=O)CC1=CC(F)=CC=C1 AK-60937 [0,1,0,0,0,1|0,1,1]=4 766 B11R1.157 CC(C)CC1=CC(Br)=CC=C1 AK148389 [0,1,0,0,0,1|1,0,0]=3 767 B11R1.157 CC(CC1=CC=CC(Br)=C1)=O AK-94137 [0,1,0,0,0,1|0,1,1]=4 768 B11R1.157 CC(NC1=CC=CC(N)=C1)=O AK-76549 [0,1,0,0,0,1|0,1,1]=4 769 B11R1.157 CC(NC1=CC=CC(O)=C1)=O AK-84439 [0,1,0,0,0,1|0,1,1]=4 770 B11R1.157 CC(OC1=CC=CC(Br)=C1)=O AK-80146 [0,1,0,0,0,1|0,1,1]=4 771 B11R1.157 CC(OC1=CC=CC(F)=C1)=O AK135677 [0,1,0,0,0,1|0,1,1]=4 772 B11R1.157 CN(C)CC1=CC=CC(Br)=C1 AK130105 [0,1,0,0,0,1|2,0,0]=4 773 B11R1.157 FC(F)OC1=CC(Br)=CC=C1 AK-87088 [0,1,0,0,0,1|2,0,0]=4 774 B11R1.157 FC(OC1=CC=CC(=C1)N)F AK-34187 [0,1,0,0,0,1|2,0,0]=4 775 B11R1.509 CC(OC1=CC=CN=C1)(C)C AK167270 [0,1,0,0,0,1|2,0,0]=4 776 B11R1.509 CC(OC1=NC=CC=C1)(C)C AK161535 [0,1,0,0,0,1|2,0,0]=4 777 B11R1.509 CS(=O)(NC1=CC=CC=C1)=O AK-51764 [0,1,0,0,0,1|1,1,0]=4 778 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 AK106161 [0,1,0,0,0,1|2,0,0]=4 779 B11R1.509 C[N+](C)(CC1=CC=CC=C1)C AK-76496 [0,1,0,0,0,1|2,0,0]=4 780 B11R1.509 C[N+](CC1=CC=CC=C1)(C)C AK-44880 [0,1,0,0,0,1|2,0,0]=4 781 B11R1.3 C1=C(N(C)C)C=CC(=C1)C=O AK-72833 [0,2,0,0,0,0|2,0,0]=4 782 B11R1.3 CC(C)C1=CC=C(CN)C=C1 AK-61820 [0,2,0,0,0,0|1,0,0]=3 783 B11R1.3 CC(C1=CC=C(CBr)C=C1)=O AK-35404 [0,2,0,0,0,0|0,1,1]=4 784 B11R1.3 CC(C1=CC=C(CN)C=C1)=O AK158889 [0,2,0,0,0,0|0,1,1]=4 785 B11R1.3 CC(C1=CC=C(NC)C=C1)=O AK145581 [0,2,0,0,0,0|0,1,1]=4 786 B11R1.3 CC(C1=CC=C(SC)C=C1)=O AK164075 [0,2,0,0,0,0|0,1,1]=4 787 B11R1.3 CN(C)C1=CC=C(OC)C=C1 AK136005 [0,2,0,0,0,0|2,0,0]=4 788 B11R1.3 COC1=CC=C(C=C1)[C@@H](C)N AK-34162 [0,2,0,0,0,0|1,0,0]=3 789 B11R1.3 COC1=CC=C(C=C1)[C@@H](C)O AK103062 [0,2,0,0,0,0|0,1,0]=3 790 B11R1.3 COC1=CC=C(C=C1)[C@H](C)O AK103063 [0,2,0,0,0,0|0,1,0]=3 791 B11R1.3 N#CC1=CC=C(C(C)=O)C=C1 AK-44531 [0,2,0,0,0,0|0,1,1]=4 792 B11R1.3 N#CC1=CC=C([C@@H](N)C)C=C1 AK133451 [0,2,0,0,0,0|1,0,0]=3 793 B11R1.3 N#CC1=CC=C([C@H](N)C)C=C1 AK133444 [0,2,0,0,0,0|1,0,0]=3 794 B11R1.3 [C@@H](C)(N)C1=CC=C(OC)C=C1 AK-41700 [0,2,0,0,0,0|1,0,0]=3 795 B11R1.19 C1=C(C(F)(F)F)C=CC(=C1)I AK-25993 [0,2,0,0,0,0|2,0,0]=4 796 B11R1.19 C1=C(C(F)(F)F)C=CC(=C1)N AK-46769 [0,2,0,0,0,0|2,0,0]=4 797 B11R1.19 C1=C([S](C)(=O)=O)C=CC(=C1)Cl AK-50496 [0,2,0,0,0,0|1,1,0]=4 798 B11R1.19 C1=C([S](C)(=O)=O)C=CC(=C1)O AK-73113 [0,2,0,0,0,0|1,1,0]=4 799 B11R1.19 CC(C1=CC=C(Br)C=C1)(C)C AK-88487 [0,2,0,0,0,0|1,0,0]=3 800 B11R1.19 CC(F)(F)C1=CC=C(Br)C=C1 AK-67199 [0,2,0,0,0,0|1,0,0]=3 801 B11R1.19 CC(O)(C1=CC=C(Br)C=C1)C AK-41776 [0,2,0,0,0,0|0,1,0]=3 802 B11R1.19 CC1=CC=C(C=C1)C(F)(F)F AK-72556 [0,2,0,0,0,0|2,0,0]=4 803 B11R1.19 C[Si](C)(C)C1=CC=C(Br)C=C1 AK-82203 [0,2,0,0,0,0|1,1,0]=4 804 B11R1.19 IC1=CC=C(C(C)(C)C)C=C1 AK-80497 [0,2,0,0,0,0|1,0,0]=3 805 B11R1.19 NC1=CC=C(C(C)(C)C)C=C1 AK136142 [0,2,0,0,0,0|1,0,0]=3 806 B11R1.19 NC1=CC=C(S(=O)(C)=O)C=C1 AK-32256 [0,2,0,0,0,0|1,1,0]=4 807 B11R1.19 O=S(C1=CC=C(Br)C=C1)(C)=O AK-76561 [0,2,0,0,0,0|1,1,0]=4 808 B11R1.19 O=S(C1=CC=C(C)C=C1)(C)=O AK-94753 [0,2,0,0,0,0|1,1,0]=4 809 B11R1.19 OC1=CC=C(C(F)(F)F)C=C1 AK-40084 [0,2,0,0,0,0|2,0,0]=4 810 B11R1.21 BrC1=C(C=C(C=C1)C(C)=O)F AK-34604 [0,2,0,0,0,0|0,1,1]=4 811 B11R1.21 C1=C(C(=CC=C1C(=O)C)F)C AK-48194 [0,2,0,0,0,0|0,1,1]=4 812 B11R1.21 C1=C(C(=CC=C1C(C)=O)F)Br AK-50601 [0,2,0,0,0,0|0,1,1]=4 813 B11R1.21 C1=C(C=CC(=C1F)O)C(C)=O AK-42173 [0,2,0,0,0,0|0,1,1]=4 814 B11R1.21 C1=CC(=CC(=C1F)Cl)C(=O)C AK-49084 [0,2,0,0,0,0|0,1,1]=4 815 B11R1.21 CC(C1=CC=C(Br)C(C)=C1)=O AK-65018 [0,2,0,0,0,0|0,1,1]=4 816 B11R1.21 CC(C1=CC=C(Br)C(Cl)=C1)=O AK114290 [0,2,0,0,0,0|0,1,1]=4 817 B11R1.21 CC(C1=CC=C(Cl)C(C)=C1)=O AK-51511 [0,2,0,0,0,0|0,1,1]=4 818 B11R1.21 CC(C1=CC=C(Cl)C(Cl)=C1)=O AK-41915 [0,2,0,0,0,0|0,1,1]=4 819 B11R1.21 CC(C1=CC=C(Cl)C(N)=C1)=O AK-45178 [0,2,0,0,0,0|0,1,1]=4 820 B11R1.21 CC(C1=CC=C(F)C(F)=C1)=O AK-53703 [0,2,0,0,0,0|0,1,1]=4 821 B11R1.21 CC(C1=CC=C(I)C(Br)=C1)=O AK482929 [0,2,0,0,0,0|0,1,1]=4 822 B11R1.21 CC(C1=CC=C(N)C(F)=C1)=O AK-94340 [0,2,0,0,0,0|0,1,1]=4 823 B11R1.21 CC(C1=CC=C(O)C(Br)=C1)=O AK201265 [0,2,0,0,0,0|0,1,1]=4 824 B11R1.21 CC(C1=CC=C(O)C(C)=C1)=O AK-41189 [0,2,0,0,0,0|0,1,1]=4 825 B11R1.21 CC(C1=CC=C(O)C(O)=C1)=O AK-42350 [0,2,0,0,0,0|0,1,1]=4 826 B11R1.21 C[C@@H](N)C1=CC=C(C)C(Cl)=C1 AK134018 [0,2,0,0,0,0|1,0,0]=3 827 B11R1.21 C[C@@H](N)C1=CC=C(Cl)C(C)=C1 AK-42499 [0,2,0,0,0,0|1,0,0]=3 828 B11R1.21 C[C@@H](N)C1=CC=C(Cl)C(Cl)=C1 AK172663 [0,2,0,0,0,0|1,0,0]=3 829 B11R1.21 C[C@@H](N)C1=CC=C(Cl)C(F)=C1 AK-42083 [0,2,0,0,0,0|1,0,0]=3 830 B11R1.21 C[C@@H](N)C1=CC=C(F)C(Cl)=C1 AK-42066 [0,2,0,0,0,0|1,0,0]=3 831 B11R1.21 C[C@@H](N)C1=CC=C(F)C(F)=C1 AK-42176 [0,2,0,0,0,0|1,0,0]=3 832 B11R1.21 C[C@H](N)C1=CC(Cl)=C(Cl)C=C1 AK110178 [0,2,0,0,0,0|1,0,0]=3 833 B11R1.21 C[C@H](N)C1=CC=C(Br)C(Cl)=C1 AK172718 [0,2,0,0,0,0|1,0,0]=3 834 B11R1.21 C[C@H](N)C1=CC=C(C)C(Cl)=C1 AK-42498 [0,2,0,0,0,0|1,0,0]=3 835 B11R1.21 C[C@H](N)C1=CC=C(C)C(F)=C1 AK544256 [0,2,0,0,0,0|1,0,0]=3 836 B11R1.21 C[C@H](N)C1=CC=C(Cl)C(F)=C1 AK-42082 [0,2,0,0,0,0|1,0,0]=3 837 B11R1.21 C[C@H](N)C1=CC=C(F)C(Br)=C1 AK338978 [0,2,0,0,0,0|1,0,0]=3 838 B11R1.21 C[C@H](N)C1=CC=C(F)C(C)=C1 AK-42488 [0,2,0,0,0,0|1,0,0]=3 839 B11R1.21 C[C@H](N)C1=CC=C(F)C(C)=C1 AK119914 [0,2,0,0,0,0|1,0,0]=3 840 B11R1.21 C[C@H](N)C1=CC=C(F)C(Cl)=C1 AK-42507 [0,2,0,0,0,0|1,0,0]=3 841 B11R1.21 C[C@H](N)C1=CC=C(F)C(F)=C1 AK160111 [0,2,0,0,0,0|1,0,0]=3 842 B11R1.22 BrC1=CC=C(C(N)CO)C=C1 AK607944 [0,2,0,0,0,0|1,0,0]=3 843 B11R1.22 BrC1=CC=C([C@@H](N)CO)C=C1 AK172682 [0,2,0,0,0,0|1,0,0]=3 844 B11R1.22 C1=C(C=CC(=C1)Br)C(OC)=O AK-47340 [0,2,0,0,0,0|0,1,1]=4 845 B11R1.22 C1=C(C=CC(=C1)C)C(CBr)=O AK-73063 [0,2,0,0,0,0|0,1,1]=4 846 B11R1.22 C1=C(C=CC(=C1)Cl)C(CC)=O AK-47430 [0,2,0,0,0,0|0,1,1]=4 847 B11R1.22 C1=C(C=CC(=C1)N)C(OC)=O AK-48394 [0,2,0,0,0,0|0,1,1]=4 848 B11R1.22 CC1=CC=C([C@H](N)CO)C=C1 AK544255 [0,2,0,0,0,0|1,0,0]=3 849 B11R1.22 CCC(C1=CC=C(Br)C=C1)=O AK133038 [0,2,0,0,0,0|0,1,1]=4 850 B11R1.22 CCC(C1=CC=C(Br)C=C1)N AK116183 [0,2,0,0,0,0|1,0,0]=3 851 B11R1.22 CCC(C1=CC=C(F)C=C1)=O AK-77665 [0,2,0,0,0,0|0,1,1]=4 852 B11R1.22 CCC(C1=CC=C(I)C=C1)=O AK149241 [0,2,0,0,0,0|0,1,1]=4 853 B11R1.22 CCC(C1=CC=C(O)C=C1)=O AK-44068 [0,2,0,0,0,0|0,1,1]=4 854 B11R1.22 CC[C@@H](C1=CC=C(Br)C=C1)N AK607954 [0,2,0,0,0,0|1,0,0]=3 855 B11R1.22 CC[C@@H](C1=CC=C(Cl)C=C1)N AK-53923 [0,2,0,0,0,0|1,0,0]=3 856 B11R1.22 CC[C@H](C1=CC=C(Br)C=C1)N AK172711 [0,2,0,0,0,0|1,0,0]=3 857 B11R1.22 CC[C@H](C1=CC=C(C)C=C1)N AK-93290 [0,2,0,0,0,0|1,0,0]=3 858 B11R1.22 CC[C@H](C1=CC=C(Cl)C=C1)N AK133438 [0,2,0,0,0,0|1,0,0]=3 859 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 AK-42930 [0,2,0,0,0,0|0,1,1]=4 860 B11R1.22 COC(=O)C1=CC=C(Cl)C=C1 AK-57163 [0,2,0,0,0,0|0,1,1]=4 861 B11R1.22 C[C@@H](NC)C1=CC=C(Cl)C=C1 AK607981 [0,2,0,0,0,0|1,0,0]=3 862 B11R1.22 C[C@H](NC)C1=CC=C(Br)C=C1 AK172763 [0,2,0,0,0,0|1,0,0]=3 863 B11R1.22 C[C@H](NC)C1=CC=C(Cl)C=C1 AK607980 [0,2,0,0,0,0|1,0,0]=3 864 B11R1.22 ClC1=CC=C(C(CN)=O)C=C1 AK-27718 [0,2,0,0,0,0|0,1,1]=4 865 B11R1.22 ClC1=CC=C([C@@H](N)CO)C=C1 AK486779 [0,2,0,0,0,0|1,0,0]=3 866 B11R1.22 ClC1=CC=C([C@@H](N)CO)C=N1 AK684516 [0,2,0,0,0,0|2,0,0]=4 867 B11R1.22 ClC1=CC=C([C@H](N)CO)C=C1 AK607971 [0,2,0,0,0,0|1,0,0]=3 868 B11R1.22 FC1=CC=C([C@@H](N)CO)C=C1 AK117861 [0,2,0,0,0,0|1,0,0]=3 869 B11R1.22 FC1=CC=C([C@H](N)CO)C=C1 AK117823 [0,2,0,0,0,0|1,0,0]=3 870 B11R1.22 FC1=CC=C([C@H](N)CO)C=C1 AK117858 [0,2,0,0,0,0|1,0,0]=3 871 B11R1.22 IC1=CC=C(C(CBr)=O)C=C1 AK-25760 [0,2,0,0,0,0|0,1,1]=4 872 B11R1.22 NC(C1=CC=C(F)C=C1)CC AK470003 [0,2,0,0,0,0|1,0,0]=3 873 B11R1.22 NC1=CC=C(C(C)CC)C=C1 AK-76838 [0,2,0,0,0,0|1,0,0]=3 874 B11R1.22 NCC(=O)C1=CC=C(C=C1)F AK-32227 [0,2,0,0,0,0|0,1,1]=4 875 B11R1.22 NCC(=O)C1=CC=C(O)C=C1 AK101127 [0,2,0,0,0,0|0,1,1]=4 876 B11R1.22 NCC(C1=CC=C(Br)C=C1)=O AK-42272 [0,2,0,0,0,0|0,1,1]=4 877 B11R1.22 NCC(O)C1=CC=C(O)C=C1 AK163650 [0,2,0,0,0,0|0,1,0]=3 878 B11R1.22 N[C@@H](C1=CC=C(F)C=C1)CC AK-42100 [0,2,0,0,0,0|1,0,0]=3 879 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 AK101499 [0,2,0,0,0,0|1,0,0]=3 880 B11R1.22 N[C@H](C1=CC=C(F)C=C1)CC AK-42091 [0,2,0,0,0,0|1,0,0]=3 881 B11R1.22 O=C(C1=CC=C(Br)C=C1)CCl AK-41703 [0,2,0,0,0,0|0,1,1]=4 882 B11R1.22 O=C(NC)C1=CC=C(Br)C=C1 AK-86242 [0,2,0,0,0,0|0,1,1]=4 883 B11R1.22 O=C(OC)C1=CC=C(C)C=C1 AK110414 [0,2,0,0,0,0|0,1,1]=4 884 B11R1.22 O=C(OC)C1=CC=C(F)C=C1 AK-45398 [0,2,0,0,0,0|0,1,1]=4 885 B11R1.22 O=C(OC)C1=CC=C(I)C=C1 AK-45406 [0,2,0,0,0,0|0,1,1]=4 886 B11R1.22 O=C(OC)C1=CC=C(O)C=C1 AK-54335 [0,2,0,0,0,0|0,1,1]=4 887 B11R1.22 OC1=CC=C(C(C)CN)C=C1 AK-47813 [0,2,0,0,0,0|1,0,0]=3 888 B11R1.22 OC1=CC=C(C=C1)C(=O)CBr AK-34343 [0,2,0,0,0,0|0,1,1]=4 889 B11R1.22 OC1=CC=C([C@@H](N)CO)C=C1 AK544250 [0,2,0,0,0,0|1,0,0]=3 890 B11R1.22 OC1=CC=C([C@H](N)CO)C=C1 AK608028 [0,2,0,0,0,0|1,0,0]=3 891 B11R1.22 OCC(O)C1=CC=C(Br)C=C1 AK110007 [0,2,0,0,0,0|0,1,0]=3 892 B11R1.22 OC[C@@H](N)C1=CC=C(Br)C=C1 AK338220 [0,2,0,0,0,0|1,0,0]=3 893 B11R1.22 OC[C@H](N)C1=CC=C(Br)C=C1 AK202041 [0,2,0,0,0,0|1,0,0]=3 894 B11R1.166 C1=C(C(=CC=C1Cl)C(C)=O)Cl AK-47301 [0,2,0,0,0,0|0,1,1]=4 895 B11R1.166 C1=CC(=CC(=C1C(C)=O)F)F AK-46615 [0,2,0,0,0,0|0,1,1]=4 896 B11R1.166 C1=CC(=CC(=C1C(C)=O)F)O AK-49094 [0,2,0,0,0,0|0,1,1]=4 897 B11R1.166 CC(=O)C1=C(N)C=C(C)C=C1 AK-75553 [0,2,0,0,0,0|0,1,1]=4 898 B11R1.166 CC(C1=CC=C(Br)C=C1Cl)=O AK-77175 [0,2,0,0,0,0|0,1,1]=4 899 B11R1.166 CC(C1=CC=C(Br)C=C1F)=O AK-46535 [0,2,0,0,0,0|0,1,1]=4 900 B11R1.166 CC(C1=CC=C(Br)C=C1N)=O AK-38008 [0,2,0,0,0,0|0,1,1]=4 901 B11R1.166 CC(C1=CC=C(Br)C=C1O)=O AK-40002 [0,2,0,0,0,0|0,1,1]=4 902 B11R1.166 CC(C1=CC=C(C)C=C1F)=O AK115609 [0,2,0,0,0,0|0,1,1]=4 903 B11R1.166 CC(C1=CC=C(Cl)C=C1Br)=O AK-75637 [0,2,0,0,0,0|0,1,1]=4 904 B11R1.166 CC(C1=CC=C(F)C=C1Cl)=O AK-53695 [0,2,0,0,0,0|0,1,1]=4 905 B11R1.166 CC(C1=CC=C(O)C=C1Br)=O AK-75734 [0,2,0,0,0,0|0,1,1]=4 906 B11R1.166 CC(C1=CC=C(O)C=C1C)=O AK-50197 [0,2,0,0,0,0|0,1,1]=4 907 B11R1.166 CC(C1=CC=C(O)C=C1Cl)=O AK-36102 [0,2,0,0,0,0|0,1,1]=4 908 B11R1.166 CC(C1=CC=C(O)C=C1O)=O AK-50224 [0,2,0,0,0,0|0,1,1]=4 909 B11R1.166 CC1=CC=C(C(Br)=C1)N(C)C AK136564 [0,2,0,0,0,0|2,0,0]=4 910 B11R1.166 C[C@@H](N)C1=CC=C(Br)C=C1F AK544258 [0,2,0,0,0,0|1,0,0]=3 911 B11R1.166 C[C@@H](N)C1=CC=C(Cl)C=C1C AK134023 [0,2,0,0,0,0|1,0,0]=3 912 B11R1.166 C[C@@H](N)C1=CC=C(F)C=C1F AK-45015 [0,2,0,0,0,0|1,0,0]=3 913 B11R1.166 C[C@H](N)C1=CC=C(Br)C=C1F AK189376 [0,2,0,0,0,0|1,0,0]=3 914 B11R1.166 C[C@H](N)C1=CC=C(Cl)C=C1C AK134048 [0,2,0,0,0,0|1,0,0]=3 915 B11R1.166 C[C@H](N)C1=CC=C(Cl)C=C1Cl AK130493 [0,2,0,0,0,0|1,0,0]=3 916 B11R1.166 C[C@H](N)C1=CC=C(F)C=C1F AK-73153 [0,2,0,0,0,0|1,0,0]=3 917 B11R1.166 ClC1=CC(=C(C=C1)C(C)=O)F AK-46375 [0,2,0,0,0,0|0,1,1]=4 918 B11R1.166 FC1=C(C=CC(=C1)F)[C@H](C)N AK-42963 [0,2,0,0,0,0|1,0,0]=3 919 B11R1.166 NC1=CC(=C(C=C1)C(C)=O)O AK-34336 [0,2,0,0,0,0|0,1,1]=4 920 B11R1.166 N[C@H](C1=CC=C(C)C=C1C)C AK477325 [0,2,0,0,0,0|1,0,0]=3 921 B11R1.166 OC1=CC=C(C(C)C)C(C)=C1 AK113729 [0,2,0,0,0,0|1,0,0]=3 922 B11R1.166 OC1=CC=C(C(C)C)C(O)=C1 AK-81550 [0,2,0,0,0,0|1,0,0]=3 923 B11R1.7 CC(C1=CC=CC=C1)(C)CN AK117158 [0,2,0,0,0,0|1,0,0]=3 924 B11R1.7 CC(O)(C1=CC=CC=C1)C#C AK305661 [0,2,0,0,0,0|0,1,0]=3 925 B11R1.7 CCC(C1=CC=CC=C1)(C)C AK-96688 [0,2,0,0,0,0|1,0,0]=3 926 B11R1.7 O=S(C1=CC=CC=C1)(CCl)=O AK116676 [0,2,0,0,0,0|1,1,0]=4 927 B11R1.12 COC(C1=CC=CC=C1)CO AK-49663 [0,2,0,0,0,0|0,1,0]=3 928 B11R1.12 OCC(C1=CC=CC=C1)CO AK-39914 [0,2,0,0,0,0|0,1,0]=3 929 B11R1.16 C=CC[C@H](C1=CC=CC=C1)N AK172643 [0,2,0,0,0,0|1,0,0]=3 930 B11R1.16 CCCC(C1=CC=CC=C1)=O AK164430 [0,2,0,0,0,0|0,1,1]=4 931 B11R1.16 CCCC(C1=CC=NC=C1)N AK687508 [0,2,0,0,0,0|2,0,0]=4 932 B11R1.16 ClCCC(O)C1=CC=CC=C1 AK-40050 [0,2,0,0,0,0|0,1,0]=3 933 B11R1.16 N#CCC(C1=CC=CC=C1)=O AK-43072 [0,2,0,0,0,0|0,1,1]=4 934 B11R1.16 N#CCC(O)C1=CC=CC=C1 AK-63411 [0,2,0,0,0,0|0,1,0]=3 935 B11R1.16 N[C@@H](C1=CC=CC=C1)CCO AK-33656 [0,2,0,0,0,0|1,0,0]=3 936 B11R1.16 O=C(OCCl)C1=CC=CC=C1 AK-86220 [0,2,0,0,0,0|0,1,1]=4 937 B11R1.16 OC(C1=CC=CC=C1)CCN AK206233 [0,2,0,0,0,0|0,1,0]=3 938 B11R1.16 OCCC(N)C1=CC=CC=C1 AK-33310 [0,2,0,0,0,0|1,0,0]=3 939 B11R1.16 OCC[C@H](N)C1=CC=CC=C1 AK-36482 [0,2,0,0,0,0|1,0,0]=3 940 B11R1.16 O[C@@H](C1=CC=CC=C1)CCCl AK-25234 [0,2,0,0,0,0|0,1,0]=3 941 B11R1.16 O[C@H](C1=CC=CC=C1)CCCl AK-31989 [0,2,0,0,0,0|0,1,0]=3 942 B11R1.23 BrC1=CC(C(N)CO)=CC=C1 AK321205 [0,2,0,0,0,0|1,0,0]=3 943 B11R1.23 BrC1=CC([C@@H](N)CO)=CC=C1 AK160001 [0,2,0,0,0,0|1,0,0]=3 944 B11R1.23 BrC1=CC([C@H](N)CO)=CC=C1 AK167556 [0,2,0,0,0,0|1,0,0]=3 945 B11R1.23 C1=C(C=CC=C1C(OC)=O)O AK-47384 [0,2,0,0,0,0|0,1,1]=4 946 B11R1.23 C1=C(C=CC=C1F)C(CBr)=O AK-45729 [0,2,0,0,0,0|0,1,1]=4 947 B11R1.23 CC(NC)C1=CC=CC(Br)=C1 AK608016 [0,2,0,0,0,0|1,0,0]=3 948 B11R1.23 CC1=CC(C(CBr)=O)=CC=C1 AK-43564 [0,2,0,0,0,0|0,1,1]=4 949 B11R1.23 CC1=CC([C@H](N)CO)=CC=C1 AK548236 [0,2,0,0,0,0|1,0,0]=3 950 B11R1.23 CCC(=O)C1=CC=CC(Cl)=C1 AK101591 [0,2,0,0,0,0|0,1,1]=4 951 B11R1.23 CCC(C1=CC=CC(F)=C1)=O AK548314 [0,2,0,0,0,0|0,1,1]=4 952 B11R1.23 CCC(C1=CC=CC(O)=C1)=O AK-45536 [0,2,0,0,0,0|0,1,1]=4 953 B11R1.23 CC[C@@H](C1=CC=CC(Br)=C1)N AK687502 [0,2,0,0,0,0|1,0,0]=3 954 B11R1.23 CC[C@@H](C1=CC=CC(F)=C1)N AK134091 [0,2,0,0,0,0|1,0,0]=3 955 B11R1.23 CC[C@H](C1=CC=CC(C)=C1)N AK134022 [0,2,0,0,0,0|1,0,0]=3 956 B11R1.23 CC[C@H](C1=CC=CC(Cl)=C1)N AK153385 [0,2,0,0,0,0|1,0,0]=3 957 B11R1.23 CC[C@H](C1=CC=CC(F)=C1)N AK-42095 [0,2,0,0,0,0|1,0,0]=3 958 B11R1.23 ClC1=CC(C(CBr)=O)=CC=C1 AK-47073 [0,2,0,0,0,0|0,1,1]=4 959 B11R1.23 ClC1=CC([C@@H](N)CO)=CC=C1 AK143424 [0,2,0,0,0,0|1,0,0]=3 960 B11R1.23 ClC1=CC([C@H](N)CO)=CC=C1 AK143359 [0,2,0,0,0,0|1,0,0]=3 961 B11R1.23 ClC1=CC([C@H](N)CO)=CC=C1 AK172770 [0,2,0,0,0,0|1,0,0]=3 962 B11R1.23 FC1=CC([C@@H](N)CO)=CC=C1 AK607953 [0,2,0,0,0,0|1,0,0]=3 963 B11R1.23 FC1=CC([C@H](N)CO)=CC=C1 AK159103 [0,2,0,0,0,0|1,0,0]=3 964 B11R1.23 FC1=CC([C@H](N)CO)=CC=C1 AK548219 [0,2,0,0,0,0|1,0,0]=3 965 B11R1.23 FC1=CC=CC(=C1)C(=O)OC AK-47674 [0,2,0,0,0,0|0,1,1]=4 966 B11R1.23 FC1=CC=CC(C(N)CO)=N1 AK543202 [0,2,0,0,0,0|2,0,0]=4 967 B11R1.23 O=C(NC)C1=CC=CC(N)=C1 AK-34399 [0,2,0,0,0,0|0,1,1]=4 968 B11R1.23 O=C(OC)C1=CC=CC(Br)=C1 AK-73031 [0,2,0,0,0,0|0,1,1]=4 969 B11R1.23 O=C(OC)C1=CC=CC(Cl)=C1 AK117218 [0,2,0,0,0,0|0,1,1]=4 970 B11R1.23 O=C(OC)C1=CC=CC(I)=C1 AK-81947 [0,2,0,0,0,0|0,1,1]=4 971 B11R1.23 O=C(OC)C1=CC=CC(N)=C1 AK-43961 [0,2,0,0,0,0|0,1,1]=4 972 B11R1.23 OC1=CC=CC(C(N)CO)=C1 AK608024 [0,2,0,0,0,0|1,0,0]=3 973 B11R1.23 OC[C@H](O)C1=CC(Cl)=CC=C1 AK-45027 [0,2,0,0,0,0|0,1,0]=3 974 B11R1.23 O[C@@H](CCl)C1=CC(Cl)=CC=C1 AK-79203 [0,2,0,0,0,0|0,1,0]=3 975 B11R1.222 C1=CC=CC(=C1C(OC)=O)Br AK-72980 [0,2,0,0,0,0|0,1,1]=4 976 B11R1.222 CC(C1=CC=CC=C1C)C#N AK165081 [0,2,0,0,0,0|1,0,0]=3 977 B11R1.222 CCC(C1=CC=CC=C1Cl)=O AK-86142 [0,2,0,0,0,0|0,1,1]=4 978 B11R1.222 CCC(C1=CC=CC=C1F)N AK544261 [0,2,0,0,0,0|1,0,0]=3 979 B11R1.222 CCC(C1=NC=CC=C1C)N AK670798 [0,2,0,0,0,0|2,0,0]=4 980 B11R1.222 CC[C@@H](C1=CC=CC=C1F)N AK134089 [0,2,0,0,0,0|1,0,0]=3 981 B11R1.222 COC(=O)C1=C(N)C=CC=C1 AK-41339 [0,2,0,0,0,0|0,1,1]=4 982 B11R1.222 ClC1=C(C(N)CO)C=CN=C1 AK501386 [0,2,0,0,0,0|2,0,0]=4 983 B11R1.222 ClC1=CC=CC=C1[C@H](N)CO AK548235 [0,2,0,0,0,0|1,0,0]=3 984 B11R1.222 FC1=CC=CC=C1C(CF)=O AK198962 [0,2,0,0,0,0|0,1,1]=4 985 B11R1.222 NC1=CC=CC=C1C(C)CC AK122191 [0,2,0,0,0,0|1,0,0]=3 986 B11R1.222 NCC(=O)C1=C(C=CC=C1)F AK-70904 [0,2,0,0,0,0|0,1,1]=4 987 B11R1.222 N[C@@H](C1=CC=CC=C1C)CC AK-42242 [0,2,0,0,0,0|1,0,0]=3 988 B11R1.222 N[C@H](C1=CC=CC=C1Cl)CC AK-42248 [0,2,0,0,0,0|1,0,0]=3 989 B11R1.222 O=C(NC)C1=CC=CC=C1N AK-26614 [0,2,0,0,0,0|0,1,1]=4 990 B11R1.222 O=C(OC)C1=CC=CC=C1C AK174020 [0,2,0,0,0,0|0,1,1]=4 991 B11R1.222 O=C(OC)C1=CC=CC=C1Cl AK161838 [0,2,0,0,0,0|0,1,1]=4 992 B11R1.222 O=C(OC)C1=CC=CC=C1I AK-76653 [0,2,0,0,0,0|0,1,1]=4 993 B11R1.222 O=C(OC)C1=CC=CC=C1S AK554462 [0,2,0,0,0,0|0,1,1]=4 994 B11R1.222 O[C@@H](C1=CC=CC=C1Cl)CO AK-44949 [0,2,0,0,0,0|0,1,0]=3 995 B11R1.87 C1=CC=CC(=C1C(F)(F)F)O AK-50536 [0,2,0,0,0,0|2,0,0]=4 996 B11R1.87 CC(C)(O)C1=C(Br)C=CC=C1 AK-38217 [0,2,0,0,0,0|0,1,0]=3 997 B11R1.87 CC(C1=CC=CC=C1Br)(C)C AK148384 [0,2,0,0,0,0|1,0,0]=3 998 B11R1.87 CC(N)(C1=CC=CC=C1Br)C AK122030 [0,2,0,0,0,0|1,0,0]=3 999 B11R1.87 CC(O)(C1=CC=CC=C1N)C AK125202 [0,2,0,0,0,0|0,1,0]=3 1000 B11R1.87 CC(O)(C1=NC=CC=C1Br)C AK167904 [0,2,0,0,0,0|1,1,0]=4 1001 B11R1.87 CP(C)(=O)C1=C(N)C=CC=C1 AK103382 [0,2,0,0,0,0|1,1,0]=4 1002 B11R1.87 FC(C1=CC=CC=C1C)(F)F AK-53820 [0,2,0,0,0,0|2,0,0]=4 1003 B11R1.87 FC(C1=CC=CC=C1I)(F)F AK142843 [0,2,0,0,0,0|2,0,0]=4 1004 B11R1.87 NC1=CC=CC=C1C(C)(C)C AK-77148 [0,2,0,0,0,0|1,0,0]=3 1005 B11R1.155 CC(N)(C1=CC=CC(F)=C1)C AK164905 [0,2,0,0,0,0|1,0,0]=3 1006 B11R1.155 CC(O)(C1=CC(Br)=NC=C1)C AK167907 [0,2,0,0,0,0|1,1,0]=4 1007 B11R1.155 CC(O)(C1=CC=CC(Br)=C1)C AK-41777 [0,2,0,0,0,0|0,1,0]=3 1008 B11R1.155 CC(O)(C1=NC=CC(Br)=C1)C AK123539 [0,2,0,0,0,0|1,1,0]=4 1009 B11R1.155 ClC1=NC=CC(C(C)(C)C)=C1 AK155433 [0,2,0,0,0,0|2,0,0]=4 1010 B11R1.155 FC(F)(F)C1=CC=CC(Br)=C1 AK-44666 [0,2,0,0,0,0|2,0,0]=4 1011 B11R1.155 NC1=CC=CC(C(C)(C)C)=C1 AK-39836 [0,2,0,0,0,0|1,0,0]=3 1012 B11R1.155 O=S(C1=CC(Br)=CC=C1)(C)=O AK-49145 [0,2,0,0,0,0|1,1,0]=4 1013 B11R1.155 OC1=CC=CC(C(C)(O)C)=C1 AK116134 [0,2,0,0,0,0|0,1,0]=3 1014 B11R1.155 OC1=CC=CC(C(F)(F)F)=C1 AK-44156 [0,2,0,0,0,0|2,0,0]=4 1015 B11R1.53 C1=CC=CC(=C1C#N)C(C)=O AK-50565 [0,2,0,0,0,0|0,1,1]=4 1016 B11R1.53 CC(C1=CC=CC=C1NC)=O AK135397 [0,2,0,0,0,0|0,1,1]=4 1017 B11R1.53 N#CC1=CC=CC=C1C(O)C AK144989 [0,2,0,0,0,0|0,1,0]=3 1018 B11R1.156 CC(=O)C1=C(C)C=CC=C1C AK110169 [0,2,0,0,0,0|0,1,1]=4 1019 B11R1.156 CC(=O)C1=C(N)C=CC=C1Br AK-99977 [0,2,0,0,0,0|0,1,1]=4 1020 B11R1.156 CC(C1=C(C)C=CC=C1O)=O AK-64408 [0,2,0,0,0,0|0,1,1]=4 1021 B11R1.156 CC(C1=C(Cl)C=CC=C1Cl)=O AK-51041 [0,2,0,0,0,0|0,1,1]=4 1022 B11R1.156 CC(C1=C(F)C=CC=C1Br)=O AK-31670 [0,2,0,0,0,0|0,1,1]=4 1023 B11R1.156 CC(C1=C(F)C=CC=C1Cl)=O AK-77336 [0,2,0,0,0,0|0,1,1]=4 1024 B11R1.156 CC(C1=C(F)C=CC=C1F)=O AK-33179 [0,2,0,0,0,0|0,1,1]=4 1025 B11R1.156 CC(C1=C(F)C=CC=C1N)=O AK145194 [0,2,0,0,0,0|0,1,1]=4 1026 B11R1.156 CC(C1=C(O)C=CC=C1Br)=O AK-31671 [0,2,0,0,0,0|0,1,1]=4 1027 B11R1.156 CC(C1=C(O)C=CC=C1Cl)=O AK-29397 [0,2,0,0,0,0|0,1,1]=4 1028 B11R1.156 CC(C1=C(O)C=CC=C1F)=O AK-86499 [0,2,0,0,0,0|0,1,1]=4 1029 B11R1.156 CC(C1=C(O)C=CC=C1O)=O AK-47368 [0,2,0,0,0,0|0,1,1]=4 1030 B11R1.156 CC(N)C1=C(Cl)C=CC=C1Cl AK-68659 [0,2,0,0,0,0|1,0,0]=3 1031 B11R1.156 CC(N)C1=C(F)C=CC=C1Cl AK607949 [0,2,0,0,0,0|1,0,0]=3 1032 B11R1.156 CC(O)C1=C(Cl)C=NC=C1Cl AK544619 [0,2,0,0,0,0|1,1,0]=4 1033 B11R1.156 CC(O)C1=C(F)C=CC=C1Br AK144493 [0,2,0,0,0,0|0,1,0]=3 1034 B11R1.156 C[C@@H](N)C1=C(C)C=CC=C1C AK-42481 [0,2,0,0,0,0|1,0,0]=3 1035 B11R1.156 C[C@@H](N)C1=C(Cl)C=CC=C1Cl AK-93232 [0,2,0,0,0,0|1,0,0]=3 1036 B11R1.156 C[C@@H](N)C1=C(F)C=CC=C1Cl AK134065 [0,2,0,0,0,0|1,0,0]=3 1037 B11R1.156 C[C@@H](N)C1=C(F)C=CC=C1F AK-42489 [0,2,0,0,0,0|1,0,0]=3 1038 B11R1.156 C[C@H](N)C1=C(C)C=CC=C1C AK-42483 [0,2,0,0,0,0|1,0,0]=3 1039 B11R1.156 C[C@H](N)C1=C(Cl)C=CC=C1Cl AK607972 [0,2,0,0,0,0|1,0,0]=3 1040 B11R1.156 C[C@H](N)C1=C(F)C=CC=C1Cl AK134087 [0,2,0,0,0,0|1,0,0]=3 1041 B11R1.156 C[C@H](N)C1=C(F)C=CC=C1F AK-42490 [0,2,0,0,0,0|1,0,0]=3 1042 B11R1.156 C[C@H](O)C1=C(Cl)C=NC=C1Cl AK104658 [0,2,0,0,0,0|1,1,0]=4 1043 B11R1.156 NC(C1=C(F)C=CC=C1F)C AK405737 [0,2,0,0,0,0|1,0,0]=3 1044 B11R1.159 BrC1=CC=CC(=C1F)C(C)=O AK-33547 [0,2,0,0,0,0|0,1,1]=4 1045 B11R1.159 CC(C)C1=CC=CC(O)=C1O AK109526 [0,2,0,0,0,0|1,0,0]=3 1046 B11R1.159 CC(C1=CC=CC(Br)=C1O)=O AK-33819 [0,2,0,0,0,0|0,1,1]=4 1047 B11R1.159 CC(C1=CC=CC(C)=C1F)=O AK327202 [0,2,0,0,0,0|0,1,1]=4 1048 B11R1.159 CC(C1=CC=CC(Cl)=C1Cl)=O AK-75733 [0,2,0,0,0,0|0,1,1]=4 1049 B11R1.159 CC(C1=CC=CC(Cl)=C1O)=O AK-34682 [0,2,0,0,0,0|0,1,1]=4 1050 B11R1.159 CC(C1=CC=CC(F)=C1Br)=O AK145989 [0,2,0,0,0,0|0,1,1]=4 1051 B11R1.159 CC(C1=CC=CC(F)=C1Cl)=O AK-94336 [0,2,0,0,0,0|0,1,1]=4 1052 B11R1.159 CC(C1=CC=CC(N)=C1O)=O AK-26283 [0,2,0,0,0,0|0,1,1]=4 1053 B11R1.159 CC(C1=CC=CC(O)=C1N)=O AK-80116 [0,2,0,0,0,0|0,1,1]=4 1054 B11R1.159 CC(C1=CC=CC(O)=C1O)=O AK-33157 [0,2,0,0,0,0|0,1,1]=4 1055 B11R1.159 CC(N)C1=CC=CC(Cl)=C1F AK338219 [0,2,0,0,0,0|1,0,0]=3 1056 B11R1.159 C[C@@H](N)C1=CC=CC(Cl)=C1F AK-42505 [0,2,0,0,0,0|1,0,0]=3 1057 B11R1.159 C[C@H](N)C1=CC=CC(Cl)=C1F AK151381 [0,2,0,0,0,0|1,0,0]=3 1058 B11R1.159 NC(C)C1=CC=CC(Cl)=C1Cl AK555588 [0,2,0,0,0,0|1,0,0]=3 1059 B11R1.167 C1=C(Br)C=CC(=C1C(=O)C)O AK-47862 [0,2,0,0,0,0|0,1,1]=4 1060 B11R1.167 C1=C(Cl)C=CC(=C1C(C)=O)Cl AK-73074 [0,2,0,0,0,0|0,1,1]=4 1061 B11R1.167 CC(=O)C1=C(F)C=CC(N)=C1 AK-68014 [0,2,0,0,0,0|0,1,1]=4 1062 B11R1.167 CC(=O)C1=C(N)C=CC(Cl)=C1 AK-28102 [0,2,0,0,0,0|0,1,1]=4 1063 B11R1.167 CC(=O)C1=C(N)C=CC(F)=C1 AK109676 [0,2,0,0,0,0|0,1,1]=4 1064 B11R1.167 CC(=O)C1=C(O)C=CC(C)=C1 AK-30761 [0,2,0,0,0,0|0,1,1]=4 1065 B11R1.167 CC(=O)C1=C(O)C=CC(Cl)=C1 AK-30762 [0,2,0,0,0,0|0,1,1]=4 1066 B11R1.167 CC(C1=C(C=CC(=C1)F)Cl)=O AK-48949 [0,2,0,0,0,0|0,1,1]=4 1067 B11R1.167 CC(C1=CC(Br)=CC=C1C)=O AK147547 [0,2,0,0,0,0|0,1,1]=4 1068 B11R1.167 CC(C1=CC(Br)=CC=C1Cl)=O AK109534 [0,2,0,0,0,0|0,1,1]=4 1069 B11R1.167 CC(C1=CC(Br)=CC=C1F)=O AK-28059 [0,2,0,0,0,0|0,1,1]=4 1070 B11R1.167 CC(C1=CC(Br)=CC=C1N)=O AK-28616 [0,2,0,0,0,0|0,1,1]=4 1071 B11R1.167 CC(C1=CC(Cl)=CC=C1Br)=O AK-51654 [0,2,0,0,0,0|0,1,1]=4 1072 B11R1.167 CC(C1=CC(Cl)=CC=C1F)=O AK-76691 [0,2,0,0,0,0|0,1,1]=4 1073 B11R1.167 CC(C1=CC(F)=CC=C1Br)=O AK-45663 [0,2,0,0,0,0|0,1,1]=4 1074 B11R1.167 CC(C1=CC(F)=CC=C1I)=O AK136027 [0,2,0,0,0,0|0,1,1]=4 1075 B11R1.167 CC(C1=CC(F)=CC=C1O)=O AK-45396 [0,2,0,0,0,0|0,1,1]=4 1076 B11R1.167 CC(C1=CC(I)=CC=C1F)C AK685324 [0,2,0,0,0,0|1,0,0]=3 1077 B11R1.167 CC(C1=CC(N)=CC=C1O)=O AK116395 [0,2,0,0,0,0|0,1,1]=4 1078 B11R1.167 CC(C1=CC(O)=CC=C1O)=O AK-51301 [0,2,0,0,0,0|0,1,1]=4 1079 B11R1.167 CC(N)C1=CC(Cl)=CC=C1F AK338981 [0,2,0,0,0,0|1,0,0]=3 1080 B11R1.167 CC(O)C1=C(C)C=CC(Cl)=C1 AK425566 [0,2,0,0,0,0|0,1,0]=3 1081 B11R1.167 CC(O)C1=CC(Br)=CC=C1F AK-28060 [0,2,0,0,0,0|0,1,0]=3 1082 B11R1.167 OC1=CC=C(C)C=C1C(C)C AK126296 [0,2,0,0,0,0|1,0,0]=3 1083 B11R1.167 OC1=CC=C(I)C(N(C)C)=C1 AK549977 [0,2,0,0,0,0|2,0,0]=4 1084 B11R1.74 CC(=O)C1=CC(Br)=CC(Cl)=C1 AK-88050 [0,2,0,0,0,0|0,1,1]=4 1085 B11R1.74 CC(=O)C1=CC(C)=CC(C)=C1 AK-43858 [0,2,0,0,0,0|0,1,1]=4 1086 B11R1.74 CC(C1=CC(Br)=CC(Br)=C1)=O AK-87691 [0,2,0,0,0,0|0,1,1]=4 1087 B11R1.74 CC(C1=CC(C)=CC(Br)=C1)=O AK143673 [0,2,0,0,0,0|0,1,1]=4 1088 B11R1.74 CC(C1=CC(Cl)=CC(Cl)=C1)=O AK-86403 [0,2,0,0,0,0|0,1,1]=4 1089 B11R1.74 CC(C1=CC(F)=CC(F)=C1)=O AK-44507 [0,2,0,0,0,0|0,1,1]=4 1090 B11R1.74 CC(C1=CC(O)=CC(O)=C1)=O AK-45934 [0,2,0,0,0,0|0,1,1]=4 1091 B11R1.74 C[C@@H](N)C1=CC(F)=CC(Cl)=C1 AK134026 [0,2,0,0,0,0|1,0,0]=3 1092 B11R1.74 C[C@@H](N)C1=CC(F)=CC(F)=C1 AK-42228 [0,2,0,0,0,0|1,0,0]=3 1093 B11R1.74 C[C@H](N)C1=CC(F)=CC(Cl)=C1 AK544244 [0,2,0,0,0,0|1,0,0]=3 1094 B11R1.74 C[C@H](N)C1=CC(F)=CC(F)=C1 AK-42191 [0,2,0,0,0,0|1,0,0]=3 1095 B11R1.266 CC(C1=CC=CC(CCl)=C1)=O AK-86175 [0,2,0,0,0,0|0,1,1]=4 1096 B11R1.266 C[C@@H](N)C1=CC(OC)=NC=C1 AK188001 [0,2,0,0,0,0|2,0,0]=4 1097 B11R1.266 C[C@@H](N)C1=CC=CC(OC)=C1 AK-36684 [0,2,0,0,0,0|1,0,0]=3 1098 B11R1.266 C[C@H](N)C1=CC(OC)=NC=C1 AK174211 [0,2,0,0,0,0|2,0,0]=4 1099 B11R1.266 N#CC1=CC=CC([C@@H](N)C)=C1 AK-28670 [0,2,0,0,0,0|1,0,0]=3 1100 B11R1.266 O=CC1=CC=CC(N(C)C)=C1 AK-45861 [0,2,0,0,0,0|2,0,0]=4 1101 B9R1.13 CN(C)C=C1C=CC=C1 AK-79365 [0,0,1,1,0,0|2,0,0]=4 1102 B9R2.50 C1CC2=CC=CC=C12 AK109544 [1,0,0,1,0,0|0,0,0]=2 1103 B11R2.4 N[C@H]1[C@H](C2=CC=CC=C2)C1 AK142856 [0,0,0,1,0,1|1,0,0]=3 1104 B11R2.10 BrC1=CC2=C(S1)C=CC=C2 AK-35557 [0,0,0,1,0,1|1,0,1]=4 1105 B11R2.10 C1=C([NH]C2=CC=CC=C12)C AK-44448 [0,0,0,1,0,1|1,0,1]=4 1106 B11R2.10 C1=CC=CC2=C1C=C(Br)C2 AK-47275 [0,0,0,1,0,1|1,0,1]=4 1107 B11R2.10 C1=CC=CC2=C1N=C(Cl)S2 AK-44922 [0,0,0,1,0,1|1,0,1]=4 1108 B11R2.10 C1=CC=CC2=C1NC(S2)=O AK-49174 [0,0,0,1,0,1|1,0,1]=4 1109 B11R2.10 C1=CC=CC2=C1SC(=N2)Br AK-27048 [0,0,0,1,0,1|1,0,1]=4 1110 B11R2.10 CC1=CC2=C(S1)C=CC=C2 AK110745 [0,0,0,1,0,1|0,0,1]=3 1111 B11R2.10 CC1=CC2=CC=CC=C2C1 AK-79371 [0,0,0,1,0,1|1,0,1]=4 1112 B11R2.10 CC1=NC2=C(S1)C=CC=C2 AK-45781 [0,0,0,1,0,1|0,0,1]=3 1113 B11R2.10 CC1=NC2=CC=CC=C2N1 AK-44028 [0,0,0,1,0,1|1,0,1]=4 1114 B11R2.10 CC1=NC2=CC=CC=C2O1 AK161761 [0,0,0,1,0,1|0,1,1]=4 1115 B11R2.10 IC1=NC2=C(S1)C=CC=C2 AK-24182 [0,0,0,1,0,1|1,0,1]=4 1116 B11R2.10 NC1=CC2=C(S1)C=CC=C2 AK-51344 [0,0,0,1,0,1|1,0,1]=4 1117 B11R2.10 NC1=NC2=CC=CC=C2S1 AK-41354 [0,0,0,1,0,1|1,0,1]=4 1118 B11R2.10 NC1CC2=C(C=CC=C2)C1 AK-51756 [0,0,0,1,0,1|1,0,0]=3 1119 B11R2.10 O=C1NC2=C(C=CC=C2)C1 AK-49964 [0,0,0,1,0,1|0,1,1]=4 1120 B11R2.10 O=C1OC2=CC=CC=C2C1 AK-77806 [0,0,0,1,0,1|0,1,1]=4 1121 B11R2.10 OC1CC2=C(C=CC=C2)C1 AK-94248 [0,0,0,1,0,1|0,1,0]=3 1122 B11R2.10 S=C1SC2=CC=CC=C2N1 AK-47877 [0,0,0,1,0,1|1,0,1]=4 1123 B11R2.10 SC1=NC2=CC=CC=C2O1 AK161762 [0,0,0,1,0,1|1,0,1]=4 1124 B11R2.34 BrC1=CC=C(C=C1)C2CC2 AK-76692 [0,1,0,1,0,0|1,0,0]=3 1125 B11R2.34 BrC1=CN=C(C2CC2)C=C1 AK-83540 [0,1,0,1,0,0|2,0,0]=4 1126 B11R2.34 BrC1=NC=C(C2CC2)C=C1 AK131652 [0,1,0,1,0,0|2,0,0]=4 1127 B11R2.34 FC1=NC=C(C2CC2)C=C1 AK132519 [0,1,0,1,0,0|2,0,0]=4 1128 B11R2.34 NC1=CC=C(C2CC2)C=C1 AK124361 [0,1,0,1,0,0|1,0,0]=3 1129 B11R2.34 NC1=CC=C(C2CC2)N=C1 AK-64994 [0,1,0,1,0,0|2,0,0]=4 1130 B11R2.34 NC1=NC=C(C2CC2)C=C1 AK129592 [0,1,0,1,0,0|2,0,0]=4 1131 B11R2.34 O=C1C=CC(C2CC2)=CN1 AK132527 [0,1,0,1,0,0|2,0,0]=4 1132 B11R2.34 OC1=CC=C(C2CC2)C=C1 AK-80032 [0,1,0,1,0,0|1,0,0]=3 1133 B11R2.1 BrC1=CSC2=C1C=CC=C2 AK-27164 [0,1,0,1,0,0|1,0,1]=4 1134 B11R2.1 C1=C(C2=CC=CC=C2[NH]1)C AK-68243 [0,1,0,1,0,0|1,0,1]=4 1135 B11R2.1 C1=CC=CC2=C1C(=NS2)N AK-26866 [0,1,0,1,0,0|1,0,1]=4 1136 B11R2.1 C1=CC=CC2=C1C(CC2)=O AK-44115 [0,1,0,1,0,0|0,1,1]=4 1137 B11R2.1 C1=CC=CC2=C1C(CO2)=O AK-45365 [0,1,0,1,0,0|0,1,1]=4 1138 B11R2.1 CC1=CCC2=CC=CC=C12 AK-79878 [0,1,0,1,0,0|1,0,1]=4 1139 B11R2.1 CC1=N[NH]C2=CC=CC=C12 AK-24403 [0,1,0,1,0,0|1,0,1]=4 1140 B11R2.1 CN1C=CC2=C1C=CC=C2 AK-84423 [0,1,0,1,0,0|2,0,0]=4 1141 B11R2.1 CN1C=NC2=C1C=CC=C2 AK-51670 [0,1,0,1,0,0|2,0,0]=4 1142 B11R2.1 ClC1=NSC2=CC=CC=C12 AK-37779 [0,1,0,1,0,0|1,0,1]=4 1143 B11R2.1 NC1=NCC2=C1C=CC=C2 AK166973 [0,1,0,1,0,0|1,0,1]=4 1144 B11R2.1 NC1CCC2=C1C=CC=C2 AK-44750 [0,1,0,1,0,0|1,0,0]=3 1145 B11R2.1 NC1CCC2=CC=CC=C12 AK-96028 [0,1,0,1,0,0|1,0,0]=3 1146 B11R2.1 NC1CCC2=CC=CN=C21 AK-75878 [0,1,0,1,0,0|2,0,0]=4 1147 B11R2.1 N[C@@H]1CCC2=C1C=CC=C2 AK-44891 [0,1,0,1,0,0|1,0,0]=3 1148 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 AK-89530 [0,1,0,1,0,0|1,0,0]=3 1149 B11R2.1 N[C@H]1COC2=CC=CC=C12 AK172653 [0,1,0,1,0,0|1,0,0]=3 1150 B11R2.1 O=C1C2=CC=CC=C2SC1 AK-29817 [0,1,0,1,0,0|0,1,1]=4 1151 B11R2.1 O=C1NCC2=C1C=CC=C2 AK-68456 [0,1,0,1,0,0|0,1,1]=4 1152 B11R2.1 O=C1OCC2=C1C=CC=C2 AK-78719 [0,1,0,1,0,0|0,1,1]=4 1153 B11R2.1 OC1CCC2=C1C=CC=C2 AK151987 [0,1,0,1,0,0|0,1,0]=3 1154 B11R2.1 OC1CCC2=CC=CN=C21 AK-72486 [0,1,0,1,0,0|1,1,0]=4 1155 B11R2.1 S1C=C(C2=C1C=CC=C2)N AK-28603 [0,1,0,1,0,0|1,0,1]=4 1156 B11R2.40 NC1(C2=CC=CC=C2)CC1 AK-30570 [0,1,0,1,0,0|1,0,0]=3 1157 B11R2.40 NC1(C2=CC=CN=C2)CC1 AK-68608 [0,1,0,1,0,0|2,0,0]=4 1158 B11R2.239 C1(C2=CC=CC=C2)CNC1 AK-36313 [0,1,0,1,0,0|1,0,0]=3 1159 B11R2.239 C1NCC1C2=CC=CN=C2 AK103500 [0,1,0,1,0,0|2,0,0]=4 1160 B11R2.988 OCC1C2=CC=CC=C2C1 AK550201 [0,1,0,1,0,0|0,1,0]=3 1161 B11R2.55 ClC1=C(C2CC2)C=NC=C1 AK543867 [0,1,0,1,0,0|2,0,0]=4 1162 B11R2.55 FC1=NC=CC=C1C2CC2 AK131938 [0,1,0,1,0,0|2,0,0]=4 1163 B11R2.55 NC1=CC=CC=C1C2CC2 AK142855 [0,1,0,1,0,0|1,0,0]=3 1164 B11R2.55 NC1=NC=CC=C1C2CC2 AK131946 [0,1,0,1,0,0|2,0,0]=4 1165 B11R2.55 O=C1C(C2CC2)=CC=CN1 AK131947 [0,1,0,1,0,0|2,0,0]=4 1166 B11R2.35 BrC1=CC(=CC=C1)C2CC2 AK-81509 [0,1,0,1,0,0|1,0,0]=3 1167 B11R2.35 BrC1=CC(C2CC2)=NC=C1 AK123378 [0,1,0,1,0,0|2,0,0]=4 1168 B11R2.35 NC1=CC=CC(C2CC2)=C1 AK112946 [0,1,0,1,0,0|1,0,0]=3 1169 B7R1.1 CCC1=CC=CS1 AK-76635 [1,0,0,0,1,0|1,0,0]=3 1170 B7R1.1 CCC1=NC=CN1 AK161825 [1,0,0,0,1,0|2,0,0]=4 1171 B7R1.1 CCN1C=CN=C1 AK-47598 [1,0,0,0,1,0|2,0,0]=4 1172 B7R1.1 CCN1N=CC=C1 AK-39994 [1,0,0,0,1,0|2,0,0]=4 1173 B7R1.1 COC1=CC=CS1 AK-60885 [1,0,0,0,1,0|2,0,0]=4 1174 B7R1.1 COC1=CSC=C1 AK-60944 [1,0,0,0,1,0|2,0,0]=4 1175 B7R1.1 NCC1=CC=CN1 AK-39872 [1,0,0,0,1,0|2,0,0]=4 1176 B7R1.1 NCC1=CC=CS1 AK-46394 [1,0,0,0,1,0|2,0,0]=4 1177 B7R1.1 NCC1=CNC=C1 AK-67638 [1,0,0,0,1,0|2,0,0]=4 1178 B7R1.1 NCC1=CSC=C1 AK-28306 [1,0,0,0,1,0|2,0,0]=4 1179 B7R1.1 NCC1=CSC=C1 AK-48092 [1,0,0,0,1,0|2,0,0]=4 1180 B7R1.1 OCC1=CC=CS1 AK-93468 [1,0,0,0,1,0|1,1,0]=4 1181 B7R1.1 OCC1=COC=C1 AK-46116 [1,0,0,0,1,0|1,1,0]=4 1182 B7R1.1 OCC1=CSC=C1 AK-36199 [1,0,0,0,1,0|1,1,0]=4 1183 B11R1.91 CC(\C=C\C1=CC=CC=C1)=O AK107621 [0,0,0,0,0,2|0,1,1]=4