0 B10R1.13 BrC1=CN=C(C=N1)C(=O)O AK-24192 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.13 BrC1=CN=C(N=C1)C(=O)O AK-21808 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.13 C(C)(=O)C1=CC=C(N=C1)Br AK-25404 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.13 C1=C(B(O)O)C=CC(=C1)C AK-39805 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.13 C1=C(C(=N)N)C=CC(=C1)Cl AK-49053 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.13 C1=C(C(C)C)C=CC(=C1)Br AK-47451 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.13 C1=C(C=CC(=C1)Br)B(O)O AK-44722 [0,0,0,0,0,0|2,0,1]=3 7 B10R1.13 C1=C(C=CC(=C1)F)B(O)O AK-46490 [0,0,0,0,0,0|2,0,1]=3 8 B10R1.13 C1=C(C=CC(=C1)O)B(O)O AK-44804 [0,0,0,0,0,0|1,0,1]=2 9 B10R1.13 C1=C(C=CC(=N1)Cl)B(O)O AK-29256 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.13 C1=C(C=CC(=N1)F)B(O)O AK-29209 [0,0,0,0,0,0|3,0,1]=4 11 B10R1.13 C1=C(C=CC(=N1)F)[N+]([O-])=O AK-25997 [0,0,0,0,0,0|3,0,1]=4 12 B10R1.13 C1=C(C=CC(=N1)[N+]([O-])=O)Cl AK-47611 [0,0,0,0,0,0|3,0,1]=4 13 B10R1.13 C1=C(C=NC(=C1)N)C(=O)O AK-25111 [0,0,0,0,0,0|2,0,0]=2 14 B10R1.13 C1=C(N(C)C)C=CC(=C1)Br AK-47628 [0,0,0,0,0,0|4,0,0]=4 15 B10R1.13 C1=C(N=CC(=C1)C(C)=O)C AK-25853 [0,0,0,0,0,0|3,0,0]=3 16 B10R1.13 C1=C([N+](=O)[O-])N=CC(=C1)C AK-28721 [0,0,0,0,0,0|3,0,1]=4 17 B10R1.13 C1=CC(=CC=C1C(C)=O)F AK-41690 [0,0,0,0,0,0|2,0,0]=2 18 B10R1.13 C1=CC(=CC=C1C(N)=O)F AK-47676 [0,0,0,0,0,0|2,0,0]=2 19 B10R1.13 C1=CC(=CC=C1C(O)=O)Br AK-50463 [0,0,0,0,0,0|1,0,0]=1 20 B10R1.13 C1=CC(=CC=C1C(O)=O)F AK-73077 [0,0,0,0,0,0|1,0,0]=1 21 B10R1.13 C1=CC(=CN=C1C(O)=O)C AK-27814 [0,0,0,0,0,0|2,0,0]=2 22 B10R1.13 C1=CC(=CN=C1[N+](=O)[O-])Br AK-25916 [0,0,0,0,0,0|3,0,1]=4 23 B10R1.13 C1=CC(=NC=C1C(N)=O)C AK-48877 [0,0,0,0,0,0|3,0,0]=3 24 B10R1.13 C1=CC(=NC=C1[N+](=O)[O-])Br AK-35205 [0,0,0,0,0,0|3,0,1]=4 25 B10R1.13 C1=CC(=NC=C1[N+](=O)[O-])Cl AK-25992 [0,0,0,0,0,0|3,0,1]=4 26 B10R1.13 C1=CC(=NC=C1[N+](=O)[O-])N AK-30014 [0,0,0,0,0,0|3,0,1]=4 27 B10R1.13 C1=NC(=CC=C1C(=O)O)F AK-25936 [0,0,0,0,0,0|2,0,0]=2 28 B10R1.13 C1=NC(=CN=C1C(=O)N)Cl AK-28055 [0,0,0,0,0,0|4,0,0]=4 29 B10R1.13 C1=NC(=CN=C1C(=O)O)Cl AK-24710 [0,0,0,0,0,0|3,0,0]=3 30 B10R1.13 CC(=O)C1=CC=C(N)N=C1 AK-67650 [0,0,0,0,0,0|3,0,0]=3 31 B10R1.13 CC(Br)C1=CC=C(F)C=C1 AK-94758 [0,0,0,0,0,0|3,0,1]=4 32 B10R1.13 CC(C1=CC=C(Br)C=C1)=O AK124422 [0,0,0,0,0,0|2,0,0]=2 33 B10R1.13 CC(C1=CC=C(C)C=C1)=O AK-41305 [0,0,0,0,0,0|2,0,0]=2 34 B10R1.13 CC(C1=CC=C(F)N=C1)=O AK-29672 [0,0,0,0,0,0|3,0,0]=3 35 B10R1.13 CC(C1=CC=C(N)C=C1)=O AK110424 [0,0,0,0,0,0|2,0,0]=2 36 B10R1.13 CC(C1=CC=C(O)C=C1)=O AK-86441 [0,0,0,0,0,0|1,0,0]=1 37 B10R1.13 CC(C1=CC=C(O)N=C1)=O AK-40333 [0,0,0,0,0,0|2,0,0]=2 38 B10R1.13 CC(C1=CN=C(Cl)N=C1)=O AK135579 [0,0,0,0,0,0|4,0,0]=4 39 B10R1.13 CC(C1=NC=C(Br)C=C1)=O AK-28454 [0,0,0,0,0,0|3,0,0]=3 40 B10R1.13 CC(C1=NC=C(Br)C=N1)=O AK129384 [0,0,0,0,0,0|4,0,0]=4 41 B10R1.13 CC(C1=NC=C(Cl)C=C1)=O AK-77099 [0,0,0,0,0,0|3,0,0]=3 42 B10R1.13 CC(C1=NC=C(Cl)N=C1)=O AK-42149 [0,0,0,0,0,0|4,0,0]=4 43 B10R1.13 CC(C1=NC=C(O)C=C1)=O AK116053 [0,0,0,0,0,0|2,0,0]=2 44 B10R1.13 CC(C1=NC=C(O)N=C1)=O AK134806 [0,0,0,0,0,0|3,0,0]=3 45 B10R1.13 CC(N)C1=CC=C(I)C=C1 AK-77292 [0,0,0,0,0,0|3,0,1]=4 46 B10R1.13 CC(O)C1=CC=C(Br)C=C1 AK117026 [0,0,0,0,0,0|2,0,1]=3 47 B10R1.13 CC(O)C1=CC=C(N)C=C1 AK109742 [0,0,0,0,0,0|2,0,1]=3 48 B10R1.13 CC(O)C1=CN=C(C)C=C1 AK-32149 [0,0,0,0,0,0|3,0,1]=4 49 B10R1.13 CC1=CC=C(S(O)=O)C=C1 AK-46949 [0,0,0,0,0,0|2,0,0]=2 50 B10R1.13 CC1=NC=C(C=C1)B(O)O AK-27039 [0,0,0,0,0,0|3,0,1]=4 51 B10R1.13 CC1=NC=C(C=N1)C(=O)O AK-25207 [0,0,0,0,0,0|3,0,0]=3 52 B10R1.13 CN(C)C1=CC=C(C=C1)I AK101968 [0,0,0,0,0,0|4,0,0]=4 53 B10R1.13 CN(C)C1=CC=C(Cl)C=C1 AK136579 [0,0,0,0,0,0|4,0,0]=4 54 B10R1.13 CN(C)C1=CC=C(O)C=C1 AK-64702 [0,0,0,0,0,0|3,0,0]=3 55 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 AK-45030 [0,0,0,0,0,0|3,0,1]=4 56 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 AK-89611 [0,0,0,0,0,0|3,0,1]=4 57 B10R1.13 C[C@@H](N)C1=CC=C(I)C=C1 AK-43006 [0,0,0,0,0,0|3,0,1]=4 58 B10R1.13 C[C@@H](O)C1=CC=C(Br)C=C1 AK-79215 [0,0,0,0,0,0|2,0,1]=3 59 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 AK-34471 [0,0,0,0,0,0|3,0,1]=4 60 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 AK548805 [0,0,0,0,0,0|3,0,1]=4 61 B10R1.13 C[C@H](O)C1=CC=C(Br)C=C1 AK-79189 [0,0,0,0,0,0|2,0,1]=3 62 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 AK-79216 [0,0,0,0,0,0|2,0,1]=3 63 B10R1.13 ClC1=CC=C(B(O)O)C=C1 AK-26616 [0,0,0,0,0,0|2,0,1]=3 64 B10R1.13 ClC1=CC=C(C(C)=O)C=N1 AK-26129 [0,0,0,0,0,0|3,0,0]=3 65 B10R1.13 ClC1=CC=C(N=C1)C(=O)O AK-26702 [0,0,0,0,0,0|2,0,0]=2 66 B10R1.13 ClC1=CC=C(N=N1)C(=O)N AK-28115 [0,0,0,0,0,0|4,0,0]=4 67 B10R1.13 ClC1=CC=C(N=N1)C(=O)O AK-23862 [0,0,0,0,0,0|3,0,0]=3 68 B10R1.13 ClC1=CN=C(C=C1)B(O)O AK-24785 [0,0,0,0,0,0|3,0,1]=4 69 B10R1.13 FC(C1=CC=C(Cl)C=C1)F AK-77798 [0,0,0,0,0,0|3,0,1]=4 70 B10R1.13 FC1=CC=C(N=C1)C(=O)O AK-28724 [0,0,0,0,0,0|2,0,0]=2 71 B10R1.13 IC1=CC=C(B(O)O)C=C1 AK-24763 [0,0,0,0,0,0|2,0,1]=3 72 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 AK-89169 [0,0,0,0,0,0|3,0,0]=3 73 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 AK107083 [0,0,0,0,0,0|3,0,0]=3 74 B10R1.13 N=C(N)C1=CC=C(F)C=C1 AK-35244 [0,0,0,0,0,0|3,0,0]=3 75 B10R1.13 N=C(N)C1=CC=C(N)C=C1 AK-34349 [0,0,0,0,0,0|3,0,0]=3 76 B10R1.13 N=C(N)C1=CC=C(O)C=C1 AK-16801 [0,0,0,0,0,0|2,0,0]=2 77 B10R1.13 N=C(N)C1=CN=C(Cl)C=C1 AK-67868 [0,0,0,0,0,0|4,0,0]=4 78 B10R1.13 N=C(N)C1=NC=C(F)C=C1 AK130362 [0,0,0,0,0,0|4,0,0]=4 79 B10R1.13 NC(=O)C1=CC=C(Br)C=C1 AK-76760 [0,0,0,0,0,0|2,0,0]=2 80 B10R1.13 NC(=O)C1=NC=C(N)C=N1 AK-82639 [0,0,0,0,0,0|4,0,0]=4 81 B10R1.13 NC(=O)C1=NC=C(N)N=C1 AK102768 [0,0,0,0,0,0|4,0,0]=4 82 B10R1.13 NC1=CC=C(B(O)O)C=C1 AK-44817 [0,0,0,0,0,0|2,0,1]=3 83 B10R1.13 NC1=CC=C([N+]([O-])=O)C=C1 AK136006 [0,0,0,0,0,0|2,0,1]=3 84 B10R1.13 NC1=CN=C(C=C1)C(=O)O AK-25651 [0,0,0,0,0,0|2,0,0]=2 85 B10R1.13 NC1=CN=C(C=C1)[N+](=O)[O-] AK-23524 [0,0,0,0,0,0|3,0,1]=4 86 B10R1.13 NC1=CN=C(N=C1)C(O)=O AK-29407 [0,0,0,0,0,0|3,0,0]=3 87 B10R1.13 NC1=NC=C(C=C1)B(O)O AK-36570 [0,0,0,0,0,0|3,0,1]=4 88 B10R1.13 NC1=NC=C(N=C1)C(=O)O AK-24195 [0,0,0,0,0,0|3,0,0]=3 89 B10R1.13 N[C@@H](C1=CC=C(Br)C=C1)C AK-35249 [0,0,0,0,0,0|3,0,1]=4 90 B10R1.13 N[C@@H](C1=CC=C(C)C=C1)C AK-45033 [0,0,0,0,0,0|3,0,1]=4 91 B10R1.13 N[C@H](C1=CC=C(F)C=C1)C AK-98664 [0,0,0,0,0,0|3,0,1]=4 92 B10R1.13 O=C(C1=CC=C(Cl)N=C1)N AK-44668 [0,0,0,0,0,0|3,0,0]=3 93 B10R1.13 O=C(C1=CN=C(Cl)N=C1)O AK-25020 [0,0,0,0,0,0|3,0,0]=3 94 B10R1.13 O=C(C1=CN=C(N)N=C1)O AK-17303 [0,0,0,0,0,0|3,0,0]=3 95 B10R1.13 O=C(C1=CN=C(O)N=C1)O AK-55017 [0,0,0,0,0,0|2,0,0]=2 96 B10R1.13 O=C(C1=CNC(C=N1)=O)O AK-24756 [0,0,0,0,0,0|2,0,1]=3 97 B10R1.13 O=C(C1=NC=C(Br)C=C1)N AK-36812 [0,0,0,0,0,0|3,0,0]=3 98 B10R1.13 O=C(C1=NC=C(Br)C=C1)O AK-25747 [0,0,0,0,0,0|2,0,0]=2 99 B10R1.13 O=C(C1=NC=C(Br)C=N1)N AK-75832 [0,0,0,0,0,0|4,0,0]=4 100 B10R1.13 O=C(C1=NC=C(Br)N=C1)N AK156282 [0,0,0,0,0,0|4,0,0]=4 101 B10R1.13 O=C(C1=NC=C(C)C=N1)O AK-29650 [0,0,0,0,0,0|3,0,0]=3 102 B10R1.13 O=C(C1=NC=C(N)C=C1)N AK-40127 [0,0,0,0,0,0|3,0,0]=3 103 B10R1.13 O=C(C1=NC=C(O)C=N1)O AK-40704 [0,0,0,0,0,0|2,0,0]=2 104 B10R1.13 O=C(C1=NN=C(N)C=C1)O AK-26163 [0,0,0,0,0,0|3,0,0]=3 105 B10R1.13 O=C(C1=NN=C(O)C=C1)O AK-25880 [0,0,0,0,0,0|2,0,0]=2 106 B10R1.13 O=C(C1=NN=C(O)C=C1)O AK601861 [0,0,0,0,0,0|2,0,0]=2 107 B10R1.13 O=C(N)C1=CC=C(Cl)C=C1 AK113058 [0,0,0,0,0,0|2,0,0]=2 108 B10R1.13 O=C(N)C1=CC=C(N)C=C1 AK151254 [0,0,0,0,0,0|2,0,0]=2 109 B10R1.13 O=C(N)C1=CC=C(O)C=C1 AK151255 [0,0,0,0,0,0|1,0,0]=1 110 B10R1.13 O=C(N)C1=CN=C(Br)C=C1 AK-41744 [0,0,0,0,0,0|3,0,0]=3 111 B10R1.13 O=C(N)C1=CN=C(N)C=C1 AK161454 [0,0,0,0,0,0|3,0,0]=3 112 B10R1.13 O=C(N)C1=NC=C(Cl)C=C1 AK142780 [0,0,0,0,0,0|3,0,0]=3 113 B10R1.13 O=C(N)C1=NC=C(F)C=C1 AK110171 [0,0,0,0,0,0|3,0,0]=3 114 B10R1.13 O=C(O)C1=CC=C(C)C=C1 AK106262 [0,0,0,0,0,0|1,0,0]=1 115 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 AK-44086 [0,0,0,0,0,0|1,0,0]=1 116 B10R1.13 O=C(O)C1=CC=C(I)C=C1 AK-73094 [0,0,0,0,0,0|1,0,0]=1 117 B10R1.13 O=C(O)C1=CC=C(N)C=C1 AK-41178 [0,0,0,0,0,0|1,0,0]=1 118 B10R1.13 O=C(O)C1=CC=C(O)C=C1 AK106263 [0,0,0,0,0,0|0,0,0]=0 119 B10R1.13 O=C(O)C1=CN=C(C)C=C1 AK-29149 [0,0,0,0,0,0|2,0,0]=2 120 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 AK-26081 [0,0,0,0,0,0|2,0,0]=2 121 B10R1.13 O=C(O)C1=CNC(C=C1)=O AK-26034 [0,0,0,0,0,0|1,0,1]=2 122 B10R1.13 O=C(O)C1=NC=C(O)C=C1 AK-24769 [0,0,0,0,0,0|1,0,0]=1 123 B10R1.13 O=C([O-])C1=CC=C(N)C=C1 AK116649 [0,0,0,0,0,0|1,0,1]=2 124 B10R1.13 O=C([O-])C1=CC=C(O)C=C1 AK306852 [0,0,0,0,0,0|0,0,1]=1 125 B10R1.13 O=C1C=CC(C(O)=O)=CO1 AK-46024 [0,0,0,0,0,0|1,0,1]=2 126 B10R1.13 O=S(C1=CC=C(C)C=C1)O AK143296 [0,0,0,0,0,0|2,0,0]=2 127 B10R1.13 O=S(C1=CC=C(C)C=C1)[O-] AK106973 [0,0,0,0,0,0|2,0,1]=3 128 B10R1.13 O=S(C1=CC=C(F)C=C1)[O-] AK114760 [0,0,0,0,0,0|2,0,1]=3 129 B10R1.13 O=[N+](C1=CN=C(C)C=C1)[O-] AK-28977 [0,0,0,0,0,0|3,0,1]=4 130 B10R1.13 O=[N+](C1=NC=C(F)C=C1)[O-] AK-36376 [0,0,0,0,0,0|3,0,1]=4 131 B10R1.13 O=[N+]([O-])C1=CNC(=O)C=C1 AK-29363 [0,0,0,0,0,0|2,0,2]=4 132 B10R1.13 O=[S@@](C1=CC=C(C)C=C1)N AK-81446 [0,0,0,0,0,0|3,0,0]=3 133 B10R1.13 OB(C1=CC=C(O)N=C1)O AK-40749 [0,0,0,0,0,0|2,0,1]=3 134 B10R1.13 OB(C1=CC=C(S)C=C1)O AK-41540 [0,0,0,0,0,0|1,1,1]=3 135 B10R1.13 OB(C1=CN=C(Br)C=C1)O AK-27206 [0,0,0,0,0,0|3,0,1]=4 136 B10R1.13 OC(=O)C1=CC=C(Br)N=C1 AK-26208 [0,0,0,0,0,0|2,0,0]=2 137 B10R1.13 OC(=O)C1=NC=C(Cl)C=N1 AK-64297 [0,0,0,0,0,0|3,0,0]=3 138 B10R1.13 OC(=O)C1=NC=C(I)C=C1 AK-29144 [0,0,0,0,0,0|2,0,0]=2 139 B10R1.13 OC1=CC=C(C(=S)N)C=C1 AK-21819 [0,0,0,0,0,0|1,1,0]=2 140 B10R1.13 OC1=CC=C(C(C)=C)C=C1 AK117164 [0,0,0,0,0,0|2,0,0]=2 141 B10R1.13 OC1=CC=C(C(O)C)C=C1 AK-45202 [0,0,0,0,0,0|1,0,1]=2 142 B10R1.13 OC1=CC=C(C=C1)C(F)F AK-76781 [0,0,0,0,0,0|2,0,1]=3 143 B10R1.13 OC1=CC=C(N(C)C)C=C1 AK103764 [0,0,0,0,0,0|3,0,0]=3 144 B10R1.13 OC1=CC=C([C@H](N)C)C=C1 AK608003 [0,0,0,0,0,0|2,0,1]=3 145 B10R1.13 OC1=CN=C(C=C1)[N+](=O)[O-] AK-23835 [0,0,0,0,0,0|2,0,1]=3 146 B9R1.1 C1=C(C=CC(=C1)Br)C#C AK-39898 [1,0,0,0,0,0|2,0,1]=4 147 B9R1.1 C1=C(C=CC(=C1)CN)O AK-47356 [1,0,0,0,0,0|1,0,1]=3 148 B9R1.1 C1=C(C=CC(=C1)F)C#N AK-44484 [1,0,0,0,0,0|2,0,1]=4 149 B9R1.1 C1=C(C=CC(=C1)I)C=O AK-75599 [1,0,0,0,0,0|1,0,0]=2 150 B9R1.1 C1=C(C=NC(=C1)CO)Br AK-26386 [1,0,0,0,0,0|2,0,1]=4 151 B9R1.1 C1=C(NN)C=CC(=C1)C AK-47398 [1,0,0,0,0,0|3,0,0]=4 152 B9R1.1 C1=CC(=CC=C1Br)CC AK-47528 [1,0,0,0,0,0|2,0,1]=4 153 B9R1.1 C1=CC(=CC=C1CO)O AK-47325 [1,0,0,0,0,0|0,0,1]=2 154 B9R1.1 C1=CC(=CC=C1I)NC AK-39846 [1,0,0,0,0,0|3,0,0]=4 155 B9R1.1 C1=CC(=NC=C1CO)Cl AK-28987 [1,0,0,0,0,0|2,0,1]=4 156 B9R1.1 C1=NC(=CC=C1C=O)Br AK-25442 [1,0,0,0,0,0|2,0,0]=3 157 B9R1.1 C1=NC(=CC=C1C=O)Cl AK-25624 [1,0,0,0,0,0|2,0,0]=3 158 B9R1.1 C1=NC(=NC=C1C=O)N AK-28546 [1,0,0,0,0,0|3,0,0]=4 159 B9R1.1 CC1=CC=C(C=O)C=C1 AK-65210 [1,0,0,0,0,0|1,0,0]=2 160 B9R1.1 CC1=CC=C(CO)C=N1 AK-78311 [1,0,0,0,0,0|2,0,1]=4 161 B9R1.1 CC1=CN=C(C=C1)C=O AK-35332 [1,0,0,0,0,0|2,0,0]=3 162 B9R1.1 CC1=NC=C(C=C1)C=O AK-26076 [1,0,0,0,0,0|2,0,0]=3 163 B9R1.1 CNC1=CC=C(Cl)C=C1 AK129065 [1,0,0,0,0,0|3,0,0]=4 164 B9R1.1 CNC1=CC=C(F)C=C1 AK-87253 [1,0,0,0,0,0|3,0,0]=4 165 B9R1.1 COC1=CC=C(Cl)C=C1 AK116963 [1,0,0,0,0,0|3,0,0]=4 166 B9R1.1 COC1=CC=C(I)C=C1 AK-44747 [1,0,0,0,0,0|3,0,0]=4 167 B9R1.1 COC1=CC=C(O)C=C1 AK-46469 [1,0,0,0,0,0|2,0,0]=3 168 B9R1.1 ClC1=CC=C(C=C1)C#N AK-54448 [1,0,0,0,0,0|2,0,1]=4 169 B9R1.1 ClC1=CN=C(C=C1)C=O AK-44636 [1,0,0,0,0,0|2,0,0]=3 170 B9R1.1 ClC1=NC=C(C=O)C=N1 AK-29616 [1,0,0,0,0,0|3,0,0]=4 171 B9R1.1 ClC1=NC=C(C=O)N=C1 AK-87373 [1,0,0,0,0,0|3,0,0]=4 172 B9R1.1 FC1=NC=C(C=C1)C=O AK-25098 [1,0,0,0,0,0|2,0,0]=3 173 B9R1.1 IC1=CC=C(CBr)C=C1 AK-54650 [1,0,0,0,0,0|2,0,1]=4 174 B9R1.1 IC1=CC=C(CC)C=C1 AK121966 [1,0,0,0,0,0|2,0,1]=4 175 B9R1.1 N#CC1=CC=C(I)C=C1 AK-45950 [1,0,0,0,0,0|2,0,1]=4 176 B9R1.1 N#CC1=CC=C(N)C=C1 AK-41176 [1,0,0,0,0,0|2,0,1]=4 177 B9R1.1 N#CC1=CN=C(O)C=C1 AK-68351 [1,0,0,0,0,0|2,0,1]=4 178 B9R1.1 NC1=CC=C(C#C)C=C1 AK-59413 [1,0,0,0,0,0|2,0,1]=4 179 B9R1.1 NC1=CC=C(C=N1)CO AK-29786 [1,0,0,0,0,0|2,0,1]=4 180 B9R1.1 NC1=CC=C(NC)C=C1 AK-86240 [1,0,0,0,0,0|3,0,0]=4 181 B9R1.1 NCC1=CC=C(Br)C=C1 AK-46356 [1,0,0,0,0,0|2,0,1]=4 182 B9R1.1 NCC1=CC=C(Br)C=C1 AK-49170 [1,0,0,0,0,0|2,0,1]=4 183 B9R1.1 NCC1=CC=C(Cl)C=C1 AK-44456 [1,0,0,0,0,0|2,0,1]=4 184 B9R1.1 NCC1=CC=C(I)C=C1 AK-81624 [1,0,0,0,0,0|2,0,1]=4 185 B9R1.1 NNC1=CC=C(Br)C=C1 AK-26194 [1,0,0,0,0,0|3,0,0]=4 186 B9R1.1 NNC1=CC=C(Cl)C=C1 AK-41259 [1,0,0,0,0,0|3,0,0]=4 187 B9R1.1 NNC1=CC=C(Cl)C=C1 AK132992 [1,0,0,0,0,0|3,0,0]=4 188 B9R1.1 NNC1=CC=C(F)C=C1 AK-85652 [1,0,0,0,0,0|3,0,0]=4 189 B9R1.1 NNC1=CC=C(I)C=C1 AK-64633 [1,0,0,0,0,0|3,0,0]=4 190 B9R1.1 O=C1C=CC(CO)=CN1 AK-29768 [1,0,0,0,0,0|1,0,2]=4 191 B9R1.1 O=CC1=CC=C(Br)C=C1 AK-80048 [1,0,0,0,0,0|1,0,0]=2 192 B9R1.1 O=CC1=CC=C(Cl)C=C1 AK-76679 [1,0,0,0,0,0|1,0,0]=2 193 B9R1.1 O=CC1=CC=C(F)C=C1 AK-84401 [1,0,0,0,0,0|1,0,0]=2 194 B9R1.1 O=CC1=CC=C(O)C=C1 AK-77323 [1,0,0,0,0,0|0,0,0]=1 195 B9R1.1 O=CC1=CN=C(C)N=C1 AK-36829 [1,0,0,0,0,0|3,0,0]=4 196 B9R1.1 O=CC1=CN=C(N)C=C1 AK114395 [1,0,0,0,0,0|2,0,0]=3 197 B9R1.1 O=CC1=CN=C(N)C=C1 AK125046 [1,0,0,0,0,0|2,0,0]=3 198 B9R1.1 O=CC1=CN=C(N)N=C1 AK118712 [1,0,0,0,0,0|3,0,0]=4 199 B9R1.1 O=CC1=CN=C(O)N=C1 AK199230 [1,0,0,0,0,0|2,0,0]=3 200 B9R1.1 O=CC1=NC=C(Br)C=C1 AK-27944 [1,0,0,0,0,0|2,0,0]=3 201 B9R1.1 O=CC1=NC=C(C)N=C1 AK-40389 [1,0,0,0,0,0|3,0,0]=4 202 B9R1.1 O=CC1=NC=C(F)C=C1 AK-34624 [1,0,0,0,0,0|2,0,0]=3 203 B9R1.1 O=CC1=NC=C(O)C=C1 AK-34625 [1,0,0,0,0,0|1,0,0]=2 204 B9R1.1 O=CC=1C=CC(NC1)=O AK-28718 [1,0,0,0,0,0|1,0,1]=3 205 B9R1.1 OC1=CC=C(C=C)C=C1 AK113778 [1,0,0,0,0,0|1,0,0]=2 206 B9R1.1 OC1=CC=C(C=C1)C#N AK-44095 [1,0,0,0,0,0|1,0,1]=3 207 B9R1.1 OC1=CC=C(CO)N=C1 AK-68040 [1,0,0,0,0,0|1,0,1]=3 208 B9R1.1 OC1=CN=C(C=C1)OC AK-26060 [1,0,0,0,0,0|3,0,0]=4 209 B9R1.1 OCC1=CC=C(Br)C=C1 AK-93775 [1,0,0,0,0,0|1,0,1]=3 210 B9R1.1 OCC1=CC=C(Br)N=C1 AK-28751 [1,0,0,0,0,0|2,0,1]=4 211 B9R1.1 OCC1=CC=C(C)C=C1 AK-92302 [1,0,0,0,0,0|1,0,1]=3 212 B9R1.1 OCC1=CC=C(Cl)C=C1 AK-94754 [1,0,0,0,0,0|1,0,1]=3 213 B9R1.1 OCC1=CC=C(F)N=C1 AK-76831 [1,0,0,0,0,0|2,0,1]=4 214 B9R1.1 OCC1=CC=C(I)C=C1 AK-72872 [1,0,0,0,0,0|1,0,1]=3 215 B9R1.1 OCC1=CC=C(N)C=C1 AK-51503 [1,0,0,0,0,0|1,0,1]=3 216 B9R1.1 OCC1=NC=C(Cl)C=C1 AK136128 [1,0,0,0,0,0|2,0,1]=4 217 B9R1.1 OCC1=NC=C(F)C=C1 AK-36421 [1,0,0,0,0,0|2,0,1]=4 218 B9R1.6 C1=C(C(=O)C)C=CN=C1 AK-65203 [1,0,0,0,0,0|2,0,0]=3 219 B9R1.6 C1=C(C(C)=O)N=CC=C1 AK-53417 [1,0,0,0,0,0|2,0,0]=3 220 B9R1.6 C1=C(C(N)=O)C=CN=C1 AK-47864 [1,0,0,0,0,0|2,0,0]=3 221 B9R1.6 C1=C(C=CC=C1)B(O)O AK-50285 [1,0,0,0,0,0|1,0,1]=3 222 B9R1.6 C1=C(C=CN=C1)B(O)O AK-26762 [1,0,0,0,0,0|2,0,1]=4 223 B9R1.6 C1=C(N=CC=N1)C(=O)C AK-16901 [1,0,0,0,0,0|3,0,0]=4 224 B9R1.6 C1=C(N=NC=C1)C(O)=O AK-28139 [1,0,0,0,0,0|2,0,0]=3 225 B9R1.6 C1=CN=CN=C1C(=O)O AK-23926 [1,0,0,0,0,0|2,0,0]=3 226 B9R1.6 C1=NC=CN=C1C(O)=O AK-47505 [1,0,0,0,0,0|2,0,0]=3 227 B9R1.6 C1=NC=NC=C1C(=O)O AK-24470 [1,0,0,0,0,0|2,0,0]=3 228 B9R1.6 CC(=O)C1=CC=CN=N1 AK-83539 [1,0,0,0,0,0|3,0,0]=4 229 B9R1.6 CC(=O)C1=CC=NN=C1 AK-30816 [1,0,0,0,0,0|3,0,0]=4 230 B9R1.6 CC(=O)C1=NC=CC=N1 AK-35526 [1,0,0,0,0,0|3,0,0]=4 231 B9R1.6 CC(C1=CN=CN=C1)=O AK-32388 [1,0,0,0,0,0|3,0,0]=4 232 B9R1.6 CC(C1=NC=NC=C1)=O AK-40767 [1,0,0,0,0,0|3,0,0]=4 233 B9R1.6 CC(O)C1=NC=CC=C1 AK-53453 [1,0,0,0,0,0|2,0,1]=4 234 B9R1.6 C[C@@H](N)C1=CC=CC=C1 AK668263 [1,0,0,0,0,0|2,0,1]=4 235 B9R1.6 C[C@@H](O)C1=CC=CC=C1 AK-79205 [1,0,0,0,0,0|1,0,1]=3 236 B9R1.6 C[C@@H](O)C1=CC=NC=C1 AK-45022 [1,0,0,0,0,0|2,0,1]=4 237 B9R1.6 C[C@@H](O)C1=NC=CC=C1 AK-79201 [1,0,0,0,0,0|2,0,1]=4 238 B9R1.6 C[C@H](O)C1=CC=NC=C1 AK-79199 [1,0,0,0,0,0|2,0,1]=4 239 B9R1.6 N1=C(C=CC=C1)C(N)=S AK-65332 [1,0,0,0,0,0|2,1,0]=4 240 B9R1.6 N1=C(N=CC=C1)C(=O)O AK-24353 [1,0,0,0,0,0|2,0,0]=3 241 B9R1.6 N1=NC=C(C=C1)C(=O)O AK-26044 [1,0,0,0,0,0|2,0,0]=3 242 B9R1.6 N=C(N)C1=CC=CC=C1 AK-47930 [1,0,0,0,0,0|2,0,0]=3 243 B9R1.6 N=C(N)C1=CC=NC=C1 AK-84875 [1,0,0,0,0,0|3,0,0]=4 244 B9R1.6 N=C(N)C1=CC=NC=C1 AK546382 [1,0,0,0,0,0|3,0,0]=4 245 B9R1.6 N=C(N)C1=CN=CC=C1 AK-76662 [1,0,0,0,0,0|3,0,0]=4 246 B9R1.6 N=C(N)C1=NC=CC=C1 AK-26055 [1,0,0,0,0,0|3,0,0]=4 247 B9R1.6 NC(=N)C1=CC=CC=C1 AK-48017 [1,0,0,0,0,0|2,0,0]=3 248 B9R1.6 NC(=O)C1=CN=CC=N1 AK-94813 [1,0,0,0,0,0|3,0,0]=4 249 B9R1.6 NC(C1=CC=CC=C1)=S AK-46849 [1,0,0,0,0,0|1,1,0]=3 250 B9R1.6 O=C(Cl)C1=NC=CC=C1 AK-49118 [1,0,0,0,0,0|2,0,0]=3 251 B9R1.6 O=C(N)C1=CC=CC=C1 AK-77684 [1,0,0,0,0,0|1,0,0]=2 252 B9R1.6 O=C(N)C1=CN=CC=C1 AK112769 [1,0,0,0,0,0|2,0,0]=3 253 B9R1.6 O=C(N)C1=NC=CC=C1 AK106190 [1,0,0,0,0,0|2,0,0]=3 254 B9R1.6 O=C(O)C1=CN=CC=C1 AK-46486 [1,0,0,0,0,0|1,0,0]=2 255 B9R1.6 O=C(O)C1=NC=CC=C1 AK-50286 [1,0,0,0,0,0|1,0,0]=2 256 B9R1.6 O=S(C1=CC=CC=C1)[O-] AK162411 [1,0,0,0,0,0|1,0,1]=3 257 B9R1.6 OB(C1=CC=CN=C1)O AK-26799 [1,0,0,0,0,0|2,0,1]=4 258 B9R1.6 OB(C1=NC=CC=C1)O AK-26642 [1,0,0,0,0,0|2,0,1]=4 259 B9R1.6 OC(=O)C1=CC=NC=C1 AK-49896 [1,0,0,0,0,0|1,0,0]=2 260 B11R1.3 BrCC1=CC=C(C=C1)B(O)O AK-32249 [0,1,0,0,0,0|2,0,1]=4 261 B11R1.3 C(#C)C1=CC=C(C(=O)O)C=C1 AK-44236 [0,1,0,0,0,0|1,0,0]=2 262 B11R1.3 C1=C(C=CC(=C1)C#N)B(O)O AK-44971 [0,1,0,0,0,0|2,0,1]=4 263 B11R1.3 C1=C(C=CC(=C1)C=O)C(O)=O AK-45367 [0,1,0,0,0,0|0,0,1]=2 264 B11R1.3 C1=C(C=CC(=C1)CN)C(O)=O AK-35678 [0,1,0,0,0,0|1,0,0]=2 265 B11R1.3 C1=C(C=CC(=C1)CO)B(O)O AK-47289 [0,1,0,0,0,0|1,0,1]=3 266 B11R1.3 C1=C(C=CC(=C1)OC)B(O)O AK-39804 [0,1,0,0,0,0|1,0,1]=3 267 B11R1.3 C1=CC(=CC=C1C(O)=O)CO AK-25734 [0,1,0,0,0,0|0,0,0]=1 268 B11R1.3 C1=CC(=CC=C1[N+](=O)[O-])CO AK-46675 [0,1,0,0,0,0|1,0,1]=3 269 B11R1.3 C1=CC(=NC=C1C(=O)O)NN AK-33131 [0,1,0,0,0,0|2,0,0]=3 270 B11R1.3 C=CC1=CC=C([N+]([O-])=O)C=C1 AK135882 [0,1,0,0,0,0|2,0,1]=4 271 B11R1.3 CC(C1=CC=C(CBr)C=C1)=O AK-35404 [0,1,0,0,0,0|2,0,0]=3 272 B11R1.3 CC(C1=CC=C(CN)C=C1)=O AK158889 [0,1,0,0,0,0|2,0,0]=3 273 B11R1.3 CC(C1=CC=C(NC)C=C1)=O AK145581 [0,1,0,0,0,0|2,0,0]=3 274 B11R1.3 CC(C1=CC=C(OC)N=C1)=O AK-76404 [0,1,0,0,0,0|2,0,0]=3 275 B11R1.3 CC(C1=CC=C(SC)C=C1)=O AK164075 [0,1,0,0,0,0|1,1,0]=3 276 B11R1.3 CCC1=CN=C(C=C1)C(O)=O AK-29521 [0,1,0,0,0,0|2,0,0]=3 277 B11R1.3 CN(C)C1=CC=C(OC)C=C1 AK136005 [0,1,0,0,0,0|3,0,0]=4 278 B11R1.3 COC1=CC=C(C=C1)[C@@H](C)N AK-34162 [0,1,0,0,0,0|2,0,1]=4 279 B11R1.3 COC1=CC=C(C=C1)[C@@H](C)O AK103062 [0,1,0,0,0,0|1,0,1]=3 280 B11R1.3 COC1=CC=C(C=C1)[C@H](C)O AK103063 [0,1,0,0,0,0|1,0,1]=3 281 B11R1.3 COC1=CN=C(C=C1)C(=O)O AK-29097 [0,1,0,0,0,0|1,0,0]=2 282 B11R1.3 COC1=CN=C(C=N1)C(=O)O AK-25141 [0,1,0,0,0,0|2,0,0]=3 283 B11R1.3 N#CC1=CC=C(C(C)=O)C=C1 AK-44531 [0,1,0,0,0,0|2,0,0]=3 284 B11R1.3 N=C(N)C1=CC=C(C#N)C=C1 AK209127 [0,1,0,0,0,0|3,0,0]=4 285 B11R1.3 N=C(N)C1=CC=C(OC)C=C1 AK-98683 [0,1,0,0,0,0|2,0,0]=3 286 B11R1.3 N=C(N)C1=CN=C(OC)C=C1 AK-76650 [0,1,0,0,0,0|3,0,0]=4 287 B11R1.3 NNC1=CC=C(C=C1)N(=O)=O AK-72989 [0,1,0,0,0,0|2,0,1]=4 288 B11R1.3 O=C(C1=CN=C(NC)N=C1)O AK115951 [0,1,0,0,0,0|3,0,0]=4 289 B11R1.3 O=C(C1=CN=C(OC)C=C1)O AK-30103 [0,1,0,0,0,0|1,0,0]=2 290 B11R1.3 O=C(C1=CN=C(SC)N=C1)O AK-26821 [0,1,0,0,0,0|2,1,0]=4 291 B11R1.3 O=C(C1=NC=C(C#N)N=C1)O AK137311 [0,1,0,0,0,0|3,0,0]=4 292 B11R1.3 O=C(N)C1=CC=C(CN)C=C1 AK155450 [0,1,0,0,0,0|2,0,0]=3 293 B11R1.3 O=C(N)C1=CC=C(OC)C=C1 AK114264 [0,1,0,0,0,0|1,0,0]=2 294 B11R1.3 O=C(O)C1=CC=C(C=C)C=C1 AK-45760 [0,1,0,0,0,0|1,0,0]=2 295 B11R1.3 O=C(O)C1=CC=C(CC)C=C1 AK114313 [0,1,0,0,0,0|1,0,0]=2 296 B11R1.3 O=C(O)C1=CC=C(NN)C=C1 AK-79152 [0,1,0,0,0,0|1,0,0]=2 297 B11R1.3 O=C(O)C1=CC=C(NN)C=C1 AK-88500 [0,1,0,0,0,0|1,0,0]=2 298 B11R1.3 O=C(O)C1=CC=C(OC)C=C1 AK-41188 [0,1,0,0,0,0|0,0,0]=1 299 B11R1.3 O=C(O)C1=CN=C(CO)C=C1 AK123526 [0,1,0,0,0,0|1,0,0]=2 300 B11R1.3 O=C(O)C1=NC=C(CO)C=C1 AK127091 [0,1,0,0,0,0|1,0,0]=2 301 B11R1.3 O=CC1=CC=C([N+]([O-])=O)C=C1 AK-49906 [0,1,0,0,0,0|1,0,2]=4 302 B11R1.3 O=[N+](C1=CC=C(C#C)C=C1)[O-] AK-85658 [0,1,0,0,0,0|2,0,1]=4 303 B11R1.3 OB(C1=CC=C(C=C)C=C1)O AK-45734 [0,1,0,0,0,0|2,0,1]=4 304 B11R1.3 OB(C1=CC=C(C=O)C=C1)O AK-45038 [0,1,0,0,0,0|1,0,2]=4 305 B11R1.3 OB(C1=CN=C(OC)C=C1)O AK-25476 [0,1,0,0,0,0|2,0,1]=4 306 B11R1.3 OCC1=NC=C(C=C1)[N+]([O-])=O AK-76747 [0,1,0,0,0,0|2,0,1]=4 307 B11R1.3 S=C(C1=CC=C(OC)N=C1)N AK-45169 [0,1,0,0,0,0|2,1,0]=4 308 B11R1.3 [C@@H](C)(N)C1=CC=C(OC)C=C1 AK-41700 [0,1,0,0,0,0|2,0,1]=4 309 B11R1.19 C1=C([S](C)(=O)=O)C=CC(=C1)Cl AK-50496 [0,1,0,0,0,0|2,0,1]=4 310 B11R1.19 C1=C([S](C)(=O)=O)C=CC(=C1)O AK-73113 [0,1,0,0,0,0|1,0,1]=3 311 B11R1.19 CC(O)(C1=CC=C(Br)C=C1)C AK-41776 [0,1,0,0,0,0|2,0,1]=4 312 B11R1.19 CC1=CC=C(C=C1)P(=O)(O)O AK-80283 [0,1,0,0,0,0|2,0,0]=3 313 B11R1.19 CC1=CC=C(C=C1)S(O)(=O)=O AK-93752 [0,1,0,0,0,0|2,0,0]=3 314 B11R1.19 CC1=CC=C(S(=O)([O-])=O)C=C1 AK-48060 [0,1,0,0,0,0|2,0,1]=4 315 B11R1.19 F[B-2](F)(C1=CC=C(O)C=C1)F AK184031 [0,1,0,0,0,0|3,0,0]=4 316 B11R1.19 NC1=CC=C(S(=O)(C)=O)C=C1 AK-32256 [0,1,0,0,0,0|2,0,1]=4 317 B11R1.19 NS(=O)(=O)C1=CC=C(Br)C=C1 AK-26275 [0,1,0,0,0,0|2,0,1]=4 318 B11R1.19 O=S(C1=CC=C(Br)C=C1)(C)=O AK-76561 [0,1,0,0,0,0|2,0,1]=4 319 B11R1.19 O=S(C1=CC=C(C)C=C1)(C)=O AK-94753 [0,1,0,0,0,0|2,0,1]=4 320 B11R1.19 O=S(C1=CC=C(C)C=C1)(O)=O AK-45062 [0,1,0,0,0,0|2,0,0]=3 321 B11R1.19 O=S(C1=CC=C(C)C=C1)(O)=O AK-77681 [0,1,0,0,0,0|2,0,0]=3 322 B11R1.19 O=S(C1=CC=C(C)C=C1)(O)=O AK101690 [0,1,0,0,0,0|2,0,0]=3 323 B11R1.19 O=S(C1=CC=C(C)C=C1)(O)=O AK150790 [0,1,0,0,0,0|2,0,0]=3 324 B11R1.19 O=S(C1=CC=C(C)C=C1)(O)=O AK164877 [0,1,0,0,0,0|2,0,0]=3 325 B11R1.19 O=S(C1=CC=C(C)C=C1)(O)=O AK311262 [0,1,0,0,0,0|2,0,0]=3 326 B11R1.19 O=S(C1=CC=C(C)C=C1)([O-])=O AK-54466 [0,1,0,0,0,0|2,0,1]=4 327 B11R1.19 O=S(C1=CC=C(C)C=C1)([O-])=O AK126645 [0,1,0,0,0,0|2,0,1]=4 328 B11R1.19 O=S(C1=CC=C(Cl)C=C1)(N)=O AK151256 [0,1,0,0,0,0|2,0,1]=4 329 B11R1.19 O=S(C1=CC=C(N)C=C1)([O-])=O AK114546 [0,1,0,0,0,0|2,0,1]=4 330 B11R1.19 O=S(C1=CC=C(N)N=C1)(O)=O AK-63658 [0,1,0,0,0,0|3,0,0]=4 331 B11R1.19 O=S(C1=CC=C(O)C=C1)([O-])=O AK117280 [0,1,0,0,0,0|1,0,1]=3 332 B11R1.19 OC1=CC=C(C(F)(F)F)C=C1 AK-40084 [0,1,0,0,0,0|2,0,1]=4 333 B11R1.21 BrC1=C(C=C(C(=O)O)C=C1)O AK-39977 [0,1,0,0,0,0|1,0,0]=2 334 B11R1.21 BrC1=C(C=C(C=C1)C(C)=O)F AK-34604 [0,1,0,0,0,0|2,0,0]=3 335 B11R1.21 BrC1=C(C=CC(=C1)C(=O)O)Cl AK-30019 [0,1,0,0,0,0|1,0,0]=2 336 B11R1.21 BrC1=C(C=CC(=C1)[N+](=O)[O-])Cl AK-33593 [0,1,0,0,0,0|2,0,1]=4 337 B11R1.21 BrC1=CC(=CN=C1O)[N+](=O)[O-] AK-27953 [0,1,0,0,0,0|2,0,1]=4 338 B11R1.21 BrC1=CN=C(C=C1C)C(=O)O AK-37510 [0,1,0,0,0,0|2,0,0]=3 339 B11R1.21 C1=C(B(O)O)C=CC(=C1Cl)F AK-28494 [0,1,0,0,0,0|2,0,1]=4 340 B11R1.21 C1=C(C(=CC(=C1)B(O)O)Cl)Cl AK-33407 [0,1,0,0,0,0|2,0,1]=4 341 B11R1.21 C1=C(C(=CC=C1C(=O)C)F)C AK-48194 [0,1,0,0,0,0|2,0,0]=3 342 B11R1.21 C1=C(C(=CC=C1C(=O)O)C)N AK-34321 [0,1,0,0,0,0|1,0,0]=2 343 B11R1.21 C1=C(C(=CC=C1C(=O)O)N)C AK-34339 [0,1,0,0,0,0|1,0,0]=2 344 B11R1.21 C1=C(C(=CC=C1C(C)=O)F)Br AK-50601 [0,1,0,0,0,0|2,0,0]=3 345 B11R1.21 C1=C(C(=CC=C1C(O)=O)Cl)O AK-25796 [0,1,0,0,0,0|1,0,0]=2 346 B11R1.21 C1=C(C(=CC=C1C(O)=O)O)C AK-46719 [0,1,0,0,0,0|0,0,0]=1 347 B11R1.21 C1=C(C(=CC=C1[N+](=O)[O-])F)Br AK-26276 [0,1,0,0,0,0|2,0,1]=4 348 B11R1.21 C1=C(C=CC(=C1Br)C)C(O)=O AK-36339 [0,1,0,0,0,0|1,0,0]=2 349 B11R1.21 C1=C(C=CC(=C1C)Cl)C(O)=O AK-47580 [0,1,0,0,0,0|1,0,0]=2 350 B11R1.21 C1=C(C=CC(=C1Cl)Cl)C(O)=O AK-46631 [0,1,0,0,0,0|1,0,0]=2 351 B11R1.21 C1=C(C=CC(=C1F)C)C(O)=O AK-34796 [0,1,0,0,0,0|1,0,0]=2 352 B11R1.21 C1=C(C=CC(=C1F)Cl)[N+](=O)[O-] AK-34799 [0,1,0,0,0,0|2,0,1]=4 353 B11R1.21 C1=C(C=CC(=C1F)F)B(O)O AK-33624 [0,1,0,0,0,0|2,0,1]=4 354 B11R1.21 C1=C(C=CC(=C1F)F)C(O)=O AK-47373 [0,1,0,0,0,0|1,0,0]=2 355 B11R1.21 C1=C(C=CC(=C1F)F)[N+](=O)[O-] AK-46774 [0,1,0,0,0,0|2,0,1]=4 356 B11R1.21 C1=C(C=CC(=C1F)O)C(C)=O AK-42173 [0,1,0,0,0,0|1,0,0]=2 357 B11R1.21 C1=C(C=CC(=C1N)F)[N+](=O)[O-] AK-34890 [0,1,0,0,0,0|2,0,1]=4 358 B11R1.21 C1=C(C=CC(=C1O)O)C(O)=O AK-47644 [0,1,0,0,0,0|0,0,0]=1 359 B11R1.21 C1=C(Cl)C(=CC=C1[N+]([O-])=O)O AK-35873 [0,1,0,0,0,0|1,0,1]=3 360 B11R1.21 C1=C(F)C(=CC=C1B(O)O)C AK-26865 [0,1,0,0,0,0|2,0,1]=4 361 B11R1.21 C1=C(O)C(=CC=C1C(=O)O)N AK-34278 [0,1,0,0,0,0|1,0,0]=2 362 B11R1.21 C1=C([N+]([O-])=O)C=CC(=C1Br)N AK-23608 [0,1,0,0,0,0|2,0,1]=4 363 B11R1.21 C1=C([N+]([O-])=O)C=CC(=C1I)N AK-35920 [0,1,0,0,0,0|2,0,1]=4 364 B11R1.21 C1=C([N+]([O-])=O)C=CC(=C1O)C AK-40855 [0,1,0,0,0,0|2,0,1]=4 365 B11R1.21 C1=CC(=C(C=C1C(=O)O)I)F AK-35058 [0,1,0,0,0,0|1,0,0]=2 366 B11R1.21 C1=CC(=C(C=C1C(O)=O)F)N AK-35239 [0,1,0,0,0,0|1,0,0]=2 367 B11R1.21 C1=CC(=CC(=C1F)Cl)C(=O)C AK-49084 [0,1,0,0,0,0|2,0,0]=3 368 B11R1.21 C1=CC(=CC(=C1O)Br)[N+]([O-])=O AK-29436 [0,1,0,0,0,0|1,0,1]=3 369 B11R1.21 CC(C1=CC(C)=C(Cl)N=C1)=O AK139010 [0,1,0,0,0,0|3,0,0]=4 370 B11R1.21 CC(C1=CC=C(Br)C(C)=C1)=O AK-65018 [0,1,0,0,0,0|2,0,0]=3 371 B11R1.21 CC(C1=CC=C(Br)C(Cl)=C1)=O AK114290 [0,1,0,0,0,0|2,0,0]=3 372 B11R1.21 CC(C1=CC=C(Cl)C(C)=C1)=O AK-51511 [0,1,0,0,0,0|2,0,0]=3 373 B11R1.21 CC(C1=CC=C(Cl)C(Cl)=C1)=O AK-41915 [0,1,0,0,0,0|2,0,0]=3 374 B11R1.21 CC(C1=CC=C(Cl)C(N)=C1)=O AK-45178 [0,1,0,0,0,0|2,0,0]=3 375 B11R1.21 CC(C1=CC=C(F)C(F)=C1)=O AK-53703 [0,1,0,0,0,0|2,0,0]=3 376 B11R1.21 CC(C1=CC=C(I)C(Br)=C1)=O AK482929 [0,1,0,0,0,0|2,0,0]=3 377 B11R1.21 CC(C1=CC=C(N)C(F)=C1)=O AK-94340 [0,1,0,0,0,0|2,0,0]=3 378 B11R1.21 CC(C1=CC=C(O)C(Br)=C1)=O AK201265 [0,1,0,0,0,0|1,0,0]=2 379 B11R1.21 CC(C1=CC=C(O)C(C)=C1)=O AK-41189 [0,1,0,0,0,0|1,0,0]=2 380 B11R1.21 CC(C1=CC=C(O)C(O)=C1)=O AK-42350 [0,1,0,0,0,0|1,0,0]=2 381 B11R1.21 CC1=C(C)N=C(C=C1)C(O)=O AK-89986 [0,1,0,0,0,0|2,0,0]=3 382 B11R1.21 CC1=C(F)C=CC(=N1)C(O)=O AK-38458 [0,1,0,0,0,0|2,0,0]=3 383 B11R1.21 CC1=C(I)C=CC(=C1)[N+]([O-])=O AK-81676 [0,1,0,0,0,0|2,0,1]=4 384 B11R1.21 CC1=CC(=CNC1=O)C(O)=O AK-78282 [0,1,0,0,0,0|1,0,1]=3 385 B11R1.21 CC1=CC(B(O)O)=CC=C1O AK-85496 [0,1,0,0,0,0|1,0,1]=3 386 B11R1.21 FC1=C(C=C(C=C1)B(O)O)O AK-36847 [0,1,0,0,0,0|2,0,1]=4 387 B11R1.21 FC1=C(C=CC(=C1)C(=O)O)I AK-36475 [0,1,0,0,0,0|1,0,0]=2 388 B11R1.21 FC1=CC([N+]([O-])=O)=CC=C1Br AK-46352 [0,1,0,0,0,0|2,0,1]=4 389 B11R1.21 FC1=CC=C([N+]([O-])=O)C=C1Cl AK-34798 [0,1,0,0,0,0|2,0,1]=4 390 B11R1.21 IC1=CC=C([N+]([O-])=O)C=C1F AK-34584 [0,1,0,0,0,0|2,0,1]=4 391 B11R1.21 N=C(N)C1=CC=C(C)C(F)=C1 AK-63979 [0,1,0,0,0,0|3,0,0]=4 392 B11R1.21 NC(=O)C1=CC(Br)=C(F)C=C1 AK-87520 [0,1,0,0,0,0|2,0,0]=3 393 B11R1.21 NC1=C(F)C=CC(=C1)B(O)O AK-36640 [0,1,0,0,0,0|2,0,1]=4 394 B11R1.21 NC1=C(I)C=CC(=C1)C(O)=O AK-82318 [0,1,0,0,0,0|1,0,0]=2 395 B11R1.21 NC1=C(O)C=CC(=C1)C(O)=O AK-33476 [0,1,0,0,0,0|0,0,0]=1 396 B11R1.21 NC1=CC(=CC=C1Cl)C(O)=O AK-73058 [0,1,0,0,0,0|1,0,0]=2 397 B11R1.21 NC1=CC([N+]([O-])=O)=CC=C1Br AK-32717 [0,1,0,0,0,0|2,0,1]=4 398 B11R1.21 NC1=CC([N+]([O-])=O)=CC=C1C AK-44165 [0,1,0,0,0,0|2,0,1]=4 399 B11R1.21 NC1=CC=C([N+]([O-])=O)C=C1F AK-34889 [0,1,0,0,0,0|2,0,1]=4 400 B11R1.21 NC1=CC=C([N+]([O-])=O)C=C1N AK-29652 [0,1,0,0,0,0|2,0,1]=4 401 B11R1.21 O=C(C1=CC(Br)=C(Br)N=C1)O AK-29099 [0,1,0,0,0,0|2,0,0]=3 402 B11R1.21 O=C(C1=CC(Cl)=C(Cl)N=C1)O AK-25953 [0,1,0,0,0,0|2,0,0]=3 403 B11R1.21 O=C(C1=NC(Cl)=C(C)C=C1)O AK-76573 [0,1,0,0,0,0|2,0,0]=3 404 B11R1.21 O=C(C1=NC(Cl)=C(Cl)N=C1)O AK133010 [0,1,0,0,0,0|3,0,0]=4 405 B11R1.21 O=C(C=1C=CC(N(C1)C)=O)N AK145245 [0,1,0,0,0,0|2,0,1]=4 406 B11R1.21 O=C(C=1C=CC(N(C1)C)=O)O AK-34900 [0,1,0,0,0,0|1,0,1]=3 407 B11R1.21 O=C(C=1C=CN(C)C(C1)=O)O AK-34747 [0,1,0,0,0,0|2,0,0]=3 408 B11R1.21 O=C(N)C1=CC=C(N)C(O)=C1 AK437623 [0,1,0,0,0,0|2,0,0]=3 409 B11R1.21 O=C(O)C1=CC=C(Br)C(Br)=C1 AK-64921 [0,1,0,0,0,0|1,0,0]=2 410 B11R1.21 O=C(O)C1=CC=C(Br)C(C)=C1 AK-26325 [0,1,0,0,0,0|1,0,0]=2 411 B11R1.21 O=C(O)C1=CC=C(Br)C(Cl)=C1 AK-86432 [0,1,0,0,0,0|1,0,0]=2 412 B11R1.21 O=C(O)C1=CC=C(Br)C(F)=C1 AK-50383 [0,1,0,0,0,0|1,0,0]=2 413 B11R1.21 O=C(O)C1=CC=C(Br)C(N)=C1 AK-34514 [0,1,0,0,0,0|1,0,0]=2 414 B11R1.21 O=C(O)C1=CC=C(C)C(Cl)=C1 AK-73060 [0,1,0,0,0,0|1,0,0]=2 415 B11R1.21 O=C(O)C1=CC=C(C)C(I)=C1 AK-51540 [0,1,0,0,0,0|1,0,0]=2 416 B11R1.21 O=C(O)C1=CC=C(C)C(O)=C1 AK-61869 [0,1,0,0,0,0|1,0,0]=2 417 B11R1.21 O=C(O)C1=CC=C(Cl)C(F)=C1 AK-35057 [0,1,0,0,0,0|1,0,0]=2 418 B11R1.21 O=C(O)C1=CC=C(F)C(Br)=C1 AK-32644 [0,1,0,0,0,0|1,0,0]=2 419 B11R1.21 O=C(O)C1=CC=C(F)C(C)=C1 AK-35056 [0,1,0,0,0,0|1,0,0]=2 420 B11R1.21 O=C(O)C1=CC=C(F)C(Cl)=C1 AK-53849 [0,1,0,0,0,0|1,0,0]=2 421 B11R1.21 O=C(O)C1=CC=C(F)C(N)=C1 AK-34274 [0,1,0,0,0,0|1,0,0]=2 422 B11R1.21 O=C(O)C1=CC=C(F)C(O)=C1 AK-35418 [0,1,0,0,0,0|1,0,0]=2 423 B11R1.21 O=C(O)C1=CC=C(I)C(Cl)=C1 AK174208 [0,1,0,0,0,0|1,0,0]=2 424 B11R1.21 O=C(O)C1=CC=C(I)C(O)=C1 AK-44390 [0,1,0,0,0,0|1,0,0]=2 425 B11R1.21 O=C(O)C1=CC=C(N)C(Br)=C1 AK-35930 [0,1,0,0,0,0|1,0,0]=2 426 B11R1.21 O=C(O)C1=CC=C(N)C(Cl)=C1 AK-34340 [0,1,0,0,0,0|1,0,0]=2 427 B11R1.21 O=C(O)C1=CC=C(N)C(N)=C1 AK-45165 [0,1,0,0,0,0|1,0,0]=2 428 B11R1.21 O=C(O)C1=CC=C(O)C(F)=C1 AK-34797 [0,1,0,0,0,0|0,0,0]=1 429 B11R1.21 O=C(O)C1=CN=C(Cl)C(Br)=C1 AK-23816 [0,1,0,0,0,0|2,0,0]=3 430 B11R1.21 O=C(O)C1=CN=C(Cl)C(F)=C1 AK173995 [0,1,0,0,0,0|2,0,0]=3 431 B11R1.21 O=C(O)C1=CN=C(Cl)C(I)=C1 AK324930 [0,1,0,0,0,0|2,0,0]=3 432 B11R1.21 O=C(O)C1=CN=C(F)C(Br)=C1 AK-49660 [0,1,0,0,0,0|2,0,0]=3 433 B11R1.21 O=C(O)C1=CN=C(N)C(Br)=C1 AK-25059 [0,1,0,0,0,0|2,0,0]=3 434 B11R1.21 O=C(O)C1=CN=C(N)C(N)=C1 AK126240 [0,1,0,0,0,0|2,0,0]=3 435 B11R1.21 O=C(O)C1=NC(Br)=C(C)C=C1 AK138206 [0,1,0,0,0,0|2,0,0]=3 436 B11R1.21 O=C(O)C1=NC(Br)=C(Cl)C=C1 AK-53664 [0,1,0,0,0,0|2,0,0]=3 437 B11R1.21 O=C(O)C1=NC(Br)=C(F)C=C1 AK-53910 [0,1,0,0,0,0|2,0,0]=3 438 B11R1.21 O=C(O)C1=NC(C)=C(Br)C=C1 AK-61563 [0,1,0,0,0,0|2,0,0]=3 439 B11R1.21 O=C(O)C1=NC(Cl)=C(Cl)C=C1 AK-53898 [0,1,0,0,0,0|2,0,0]=3 440 B11R1.21 O=C(O)C1=NC(Cl)=C(F)C=C1 AK-53913 [0,1,0,0,0,0|2,0,0]=3 441 B11R1.21 O=C(O)C1=NC(O)=C(Br)C=C1 AK-92903 [0,1,0,0,0,0|2,0,0]=3 442 B11R1.21 O=C(O)C1=NC=C(Br)C(Cl)=C1 AK-55136 [0,1,0,0,0,0|2,0,0]=3 443 B11R1.21 O=C(O)C1=NC=C(C)C(Br)=C1 AK137974 [0,1,0,0,0,0|2,0,0]=3 444 B11R1.21 O=[N+](C1=CC=C(Br)C(Br)=C1)[O-] AK130574 [0,1,0,0,0,0|2,0,1]=4 445 B11R1.21 O=[N+](C1=CC=C(Br)C(C)=C1)[O-] AK-54902 [0,1,0,0,0,0|2,0,1]=4 446 B11R1.21 O=[N+](C1=CC=C(Br)C(Cl)=C1)[O-] AK-79128 [0,1,0,0,0,0|2,0,1]=4 447 B11R1.21 O=[N+](C1=CC=C(C)C(Br)=C1)[O-] AK-36359 [0,1,0,0,0,0|2,0,1]=4 448 B11R1.21 O=[N+](C1=CC=C(C)C(I)=C1)[O-] AK-36358 [0,1,0,0,0,0|2,0,1]=4 449 B11R1.21 O=[N+](C1=CC=C(Cl)C(C)=C1)[O-] AK-54903 [0,1,0,0,0,0|2,0,1]=4 450 B11R1.21 O=[N+](C1=CC=C(Cl)C(I)=C1)[O-] AK114426 [0,1,0,0,0,0|2,0,1]=4 451 B11R1.21 O=[N+](C1=CC=C(F)C(C)=C1)[O-] AK-35240 [0,1,0,0,0,0|2,0,1]=4 452 B11R1.21 O=[N+](C1=CC=C(F)C(I)=C1)[O-] AK136589 [0,1,0,0,0,0|2,0,1]=4 453 B11R1.21 OB(C1=CC=C(C)C(C)=C1)O AK-45214 [0,1,0,0,0,0|2,0,1]=4 454 B11R1.21 OB(C1=CC=C(Cl)C(C)=C1)O AK-33546 [0,1,0,0,0,0|2,0,1]=4 455 B11R1.21 OB(C1=CC=C(F)C(C)=C1)O AK-33223 [0,1,0,0,0,0|2,0,1]=4 456 B11R1.21 OB(C1=CC=C(O)C(F)=C1)O AK-33809 [0,1,0,0,0,0|1,0,1]=3 457 B11R1.21 OB(O)C1=CC(F)=C(Cl)C=C1 AK-33192 [0,1,0,0,0,0|2,0,1]=4 458 B11R1.21 OC(=O)C1=CC(=O)C(O)=CN1 AK-89588 [0,1,0,0,0,0|1,0,0]=2 459 B11R1.21 OC(=O)C1=CC(Br)=C(I)C=C1 AK-80847 [0,1,0,0,0,0|1,0,0]=2 460 B11R1.21 OC(=O)C1=CC(I)=C(Br)C=C1 AK-64714 [0,1,0,0,0,0|1,0,0]=2 461 B11R1.21 OC(=O)C1=CC(I)=C(Cl)C=C1 AK-35135 [0,1,0,0,0,0|1,0,0]=2 462 B11R1.21 OC(=O)C1=CC=C(Cl)C(=O)N1 AK100453 [0,1,0,0,0,0|2,0,0]=3 463 B11R1.21 OC(=O)C1=NC=C(Cl)C(Cl)=C1 AK-67884 [0,1,0,0,0,0|2,0,0]=3 464 B11R1.21 OC1=C(Br)C=CC(=C1)[N+]([O-])=O AK-80891 [0,1,0,0,0,0|2,0,1]=4 465 B11R1.21 OC1=CC(=CC=C1Cl)N(=O)=O AK-26191 [0,1,0,0,0,0|2,0,1]=4 466 B11R1.21 OC1=CC(B(O)O)=CC=C1Cl AK-93984 [0,1,0,0,0,0|2,0,1]=4 467 B11R1.21 OC1=CC([N+]([O-])=O)=CC=C1F AK-34204 [0,1,0,0,0,0|2,0,1]=4 468 B11R1.21 OC1=CC=C(B(O)O)C=C1Cl AK-61628 [0,1,0,0,0,0|1,0,1]=3 469 B11R1.21 OC1=CC=C([N+]([O-])=O)C=C1F AK-30391 [0,1,0,0,0,0|1,0,1]=3 470 B11R1.21 OC1=NC=C([N+]([O-])=O)C=C1I AK-48074 [0,1,0,0,0,0|2,0,1]=4 471 B11R1.22 BrC1=CC=C(C(N)CO)C=C1 AK607944 [0,1,0,0,0,0|2,0,1]=4 472 B11R1.22 BrC1=CC=C([C@@H](N)CO)C=C1 AK172682 [0,1,0,0,0,0|2,0,1]=4 473 B11R1.22 BrC1=CN=C(C=N1)C(=O)OC AK-24801 [0,1,0,0,0,0|3,0,0]=4 474 B11R1.22 C1=C(C=CC(=C1)Br)C(OC)=O AK-47340 [0,1,0,0,0,0|1,0,0]=2 475 B11R1.22 C1=C(C=CC(=C1)C)C(CBr)=O AK-73063 [0,1,0,0,0,0|2,0,0]=3 476 B11R1.22 C1=C(C=CC(=C1)Cl)C(CC)=O AK-47430 [0,1,0,0,0,0|2,0,0]=3 477 B11R1.22 C1=C(C=CC(=C1)N)C(OC)=O AK-48394 [0,1,0,0,0,0|1,0,0]=2 478 B11R1.22 C1=CC(=CN=C1C(OC)=O)Br AK-25721 [0,1,0,0,0,0|2,0,0]=3 479 B11R1.22 C1=CC(=NC=C1C(OC)=O)Cl AK-32450 [0,1,0,0,0,0|2,0,0]=3 480 B11R1.22 C1=NC(=CC=C1C(=O)OC)Br AK-27762 [0,1,0,0,0,0|2,0,0]=3 481 B11R1.22 CC1=CC=C([C@H](N)CO)C=C1 AK544255 [0,1,0,0,0,0|2,0,1]=4 482 B11R1.22 CCC(C1=CC=C(Br)C=C1)=O AK133038 [0,1,0,0,0,0|2,0,0]=3 483 B11R1.22 CCC(C1=CC=C(F)C=C1)=O AK-77665 [0,1,0,0,0,0|2,0,0]=3 484 B11R1.22 CCC(C1=CC=C(I)C=C1)=O AK149241 [0,1,0,0,0,0|2,0,0]=3 485 B11R1.22 CCC(C1=CC=C(O)C=C1)=O AK-44068 [0,1,0,0,0,0|1,0,0]=2 486 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 AK-42930 [0,1,0,0,0,0|2,0,0]=3 487 B11R1.22 COC(=O)C1=CC=C(Cl)C=C1 AK-57163 [0,1,0,0,0,0|1,0,0]=2 488 B11R1.22 COC(=O)C1=CN=C(Cl)N=C1 AK-25021 [0,1,0,0,0,0|3,0,0]=4 489 B11R1.22 COC(C1=NC=C(C=N1)Br)=O AK-28412 [0,1,0,0,0,0|3,0,0]=4 490 B11R1.22 ClC1=CC=C(C(CN)=O)C=C1 AK-27718 [0,1,0,0,0,0|2,0,0]=3 491 B11R1.22 ClC1=CC=C(C=C1)C(=O)C=O AK-10005 [0,1,0,0,0,0|1,0,1]=3 492 B11R1.22 ClC1=CC=C(N=N1)C(=O)OC AK-24016 [0,1,0,0,0,0|3,0,0]=4 493 B11R1.22 ClC1=CC=C([C@@H](N)CO)C=C1 AK486779 [0,1,0,0,0,0|2,0,1]=4 494 B11R1.22 ClC1=CC=C([C@H](N)CO)C=C1 AK607971 [0,1,0,0,0,0|2,0,1]=4 495 B11R1.22 ClC1=CN=C(C=N1)C(=O)OC AK-23920 [0,1,0,0,0,0|3,0,0]=4 496 B11R1.22 FC1=CC=C(C=N1)C(=O)OC AK-40001 [0,1,0,0,0,0|2,0,0]=3 497 B11R1.22 FC1=CC=C([C@@H](N)CO)C=C1 AK117861 [0,1,0,0,0,0|2,0,1]=4 498 B11R1.22 FC1=CC=C([C@H](N)CO)C=C1 AK117823 [0,1,0,0,0,0|2,0,1]=4 499 B11R1.22 FC1=CC=C([C@H](N)CO)C=C1 AK117858 [0,1,0,0,0,0|2,0,1]=4 500 B11R1.22 IC1=CC=C(C(CBr)=O)C=C1 AK-25760 [0,1,0,0,0,0|2,0,0]=3 501 B11R1.22 N1C=C(C(=O)NN)C=CC1=O AK-25381 [0,1,0,0,0,0|2,0,1]=4 502 B11R1.22 NC1=CN=C(C=C1)C(=O)OC AK-24592 [0,1,0,0,0,0|2,0,0]=3 503 B11R1.22 NC1=NC=C(C=N1)C(=O)OC AK-21981 [0,1,0,0,0,0|3,0,0]=4 504 B11R1.22 NCC(=O)C1=CC=C(C=C1)F AK-32227 [0,1,0,0,0,0|2,0,0]=3 505 B11R1.22 NCC(=O)C1=CC=C(O)C=C1 AK101127 [0,1,0,0,0,0|1,0,0]=2 506 B11R1.22 NCC(C1=CC=C(Br)C=C1)=O AK-42272 [0,1,0,0,0,0|2,0,0]=3 507 B11R1.22 NCC(O)C1=CC=C(O)C=C1 AK163650 [0,1,0,0,0,0|1,0,1]=3 508 B11R1.22 NNC(=O)C1=CC=C(F)C=C1 AK-76998 [0,1,0,0,0,0|2,0,0]=3 509 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 AK101499 [0,1,0,0,0,0|2,0,1]=4 510 B11R1.22 O=C(C1=CC=C(Br)C=C1)CCl AK-41703 [0,1,0,0,0,0|2,0,0]=3 511 B11R1.22 O=C(C1=CC=C(F)C=C1)C=O AK-10004 [0,1,0,0,0,0|1,0,1]=3 512 B11R1.22 O=C(C1=CNC(N=C1)=O)OC AK138906 [0,1,0,0,0,0|2,0,1]=4 513 B11R1.22 O=C(C1=COC(C=C1)=O)OC AK-94193 [0,1,0,0,0,0|1,0,1]=3 514 B11R1.22 O=C(C1=NC=C(Cl)C=C1)OC AK-33121 [0,1,0,0,0,0|2,0,0]=3 515 B11R1.22 O=C(C1=NC=C(F)C=N1)OC AK128119 [0,1,0,0,0,0|3,0,0]=4 516 B11R1.22 O=C(C1=NC=C(N)N=C1)OC AK-59002 [0,1,0,0,0,0|3,0,0]=4 517 B11R1.22 O=C(C1=NC=C(O)C=C1)OC AK-48134 [0,1,0,0,0,0|1,0,0]=2 518 B11R1.22 O=C(NC)C1=CC=C(Br)C=C1 AK-86242 [0,1,0,0,0,0|2,0,0]=3 519 B11R1.22 O=C(NC)C1=CN=C(Cl)C=C1 AK-41767 [0,1,0,0,0,0|3,0,0]=4 520 B11R1.22 O=C(NN)C1=NC=C(F)C=C1 AK-97226 [0,1,0,0,0,0|3,0,0]=4 521 B11R1.22 O=C(OC)C1=CC=C(C)C=C1 AK110414 [0,1,0,0,0,0|1,0,0]=2 522 B11R1.22 O=C(OC)C1=CC=C(F)C=C1 AK-45398 [0,1,0,0,0,0|1,0,0]=2 523 B11R1.22 O=C(OC)C1=CC=C(I)C=C1 AK-45406 [0,1,0,0,0,0|1,0,0]=2 524 B11R1.22 O=C(OC)C1=CC=C(O)C=C1 AK-54335 [0,1,0,0,0,0|0,0,0]=1 525 B11R1.22 O=C(OC)C1=CN=C(C)C=C1 AK-28562 [0,1,0,0,0,0|2,0,0]=3 526 B11R1.22 O=C(OC)C1=CN=C(N)C=C1 AK-25008 [0,1,0,0,0,0|2,0,0]=3 527 B11R1.22 O=C(OC)C1=CN=C(O)C=C1 AK-26234 [0,1,0,0,0,0|1,0,0]=2 528 B11R1.22 O=C(OC)C1=NC=C(C)C=C1 AK-76225 [0,1,0,0,0,0|2,0,0]=3 529 B11R1.22 O=C1NN=C(C=C1)C(=O)OC AK-72777 [0,1,0,0,0,0|2,0,1]=4 530 B11R1.22 OC1=CC=C(C(C)CN)C=C1 AK-47813 [0,1,0,0,0,0|2,0,1]=4 531 B11R1.22 OC1=CC=C(C=C1)C(=O)CBr AK-34343 [0,1,0,0,0,0|1,0,0]=2 532 B11R1.22 OC1=CC=C([C@@H](N)CO)C=C1 AK544250 [0,1,0,0,0,0|1,0,1]=3 533 B11R1.22 OC1=CC=C([C@H](N)CO)C=C1 AK608028 [0,1,0,0,0,0|1,0,1]=3 534 B11R1.22 OC1=CN=C(C=N1)C(=O)OC AK-24812 [0,1,0,0,0,0|2,0,0]=3 535 B11R1.22 OCC(O)C1=CC=C(Br)C=C1 AK110007 [0,1,0,0,0,0|1,0,2]=4 536 B11R1.22 OC[C@@H](N)C1=CC=C(Br)C=C1 AK338220 [0,1,0,0,0,0|2,0,1]=4 537 B11R1.22 OC[C@H](N)C1=CC=C(Br)C=C1 AK202041 [0,1,0,0,0,0|2,0,1]=4 538 B11R1.166 BrC1=C(C(=O)O)C=CC(=C1)Cl AK-36919 [0,1,0,0,0,0|1,0,0]=2 539 B11R1.166 BrC1=C(C=CC(=C1)Cl)[N+](=O)[O-] AK-35960 [0,1,0,0,0,0|2,0,1]=4 540 B11R1.166 BrC1=C(C=CC(=C1)F)[N+](=O)[O-] AK-32212 [0,1,0,0,0,0|2,0,1]=4 541 B11R1.166 BrC1=C(C=CC(=C1)N)[N+](=O)[O-] AK-35079 [0,1,0,0,0,0|2,0,1]=4 542 B11R1.166 BrC1=CC(=C(C=C1)[N+](=O)[O-])F AK-28435 [0,1,0,0,0,0|2,0,1]=4 543 B11R1.166 BrC1=CC(=C(C=C1)[N+](=O)[O-])O AK-29073 [0,1,0,0,0,0|2,0,1]=4 544 B11R1.166 BrC1=CN=C(C(=C1)C)C(=O)O AK-26400 [0,1,0,0,0,0|2,0,0]=3 545 B11R1.166 C1=C(C(=CC(=C1)Br)N)C(=O)O AK-34046 [0,1,0,0,0,0|1,0,0]=2 546 B11R1.166 C1=C(C(=CC(=C1)Cl)I)C(O)=O AK-46379 [0,1,0,0,0,0|1,0,0]=2 547 B11R1.166 C1=C(C(=CC(=C1)Cl)N)C(O)=O AK-36798 [0,1,0,0,0,0|1,0,0]=2 548 B11R1.166 C1=C(C(=CC(=C1)F)Cl)[N+]([O-])=O AK-31880 [0,1,0,0,0,0|2,0,1]=4 549 B11R1.166 C1=C(C(=CC=C1C)B(O)O)Cl AK-39980 [0,1,0,0,0,0|2,0,1]=4 550 B11R1.166 C1=C(C(=CC=C1C)C(=O)O)N AK-25621 [0,1,0,0,0,0|1,0,0]=2 551 B11R1.166 C1=C(C(=CC=C1Cl)C(C)=O)Cl AK-47301 [0,1,0,0,0,0|2,0,0]=3 552 B11R1.166 C1=C(C(=CC=C1N)C(=O)O)C AK-27038 [0,1,0,0,0,0|1,0,0]=2 553 B11R1.166 C1=C(Cl)C=CC(=C1F)B(O)O AK-33526 [0,1,0,0,0,0|2,0,1]=4 554 B11R1.166 C1=C(Cl)C=NC(=C1Cl)C(=O)O AK-24701 [0,1,0,0,0,0|2,0,0]=3 555 B11R1.166 C1=C(F)C=CC(=C1F)B(O)O AK-33282 [0,1,0,0,0,0|2,0,1]=4 556 B11R1.166 C1=C([N+]([O-])=O)C(=CC(=C1)C)Cl AK-53744 [0,1,0,0,0,0|2,0,1]=4 557 B11R1.166 C1=C([N+]([O-])=O)C(=CC(=C1)F)N AK-32563 [0,1,0,0,0,0|2,0,1]=4 558 B11R1.166 C1=C([N+]([O-])=O)C(=CC(=C1)O)C AK-49132 [0,1,0,0,0,0|1,0,1]=3 559 B11R1.166 C1=CC(=C(C=C1N)Cl)C(O)=O AK-29059 [0,1,0,0,0,0|1,0,0]=2 560 B11R1.166 C1=CC(=CC(=C1B(O)O)Cl)Cl AK-36109 [0,1,0,0,0,0|2,0,1]=4 561 B11R1.166 C1=CC(=CC(=C1C(C)=O)F)F AK-46615 [0,1,0,0,0,0|2,0,0]=3 562 B11R1.166 C1=CC(=CC(=C1C(C)=O)F)O AK-49094 [0,1,0,0,0,0|1,0,0]=2 563 B11R1.166 C1=CC(=CC(=C1C(O)=O)Br)Br AK-45532 [0,1,0,0,0,0|1,0,0]=2 564 B11R1.166 C1=CC(=CC(=C1C(O)=O)C)Br AK-26260 [0,1,0,0,0,0|1,0,0]=2 565 B11R1.166 C1=CC(=CC(=C1C(O)=O)C)C AK-47303 [0,1,0,0,0,0|1,0,0]=2 566 B11R1.166 C1=CC(=CC(=C1C(O)=O)C)Cl AK-32606 [0,1,0,0,0,0|1,0,0]=2 567 B11R1.166 C1=CC(=CC(=C1C(O)=O)Cl)Cl AK-46538 [0,1,0,0,0,0|1,0,0]=2 568 B11R1.166 C1=CC(=CC(=C1C(O)=O)F)C AK-26324 [0,1,0,0,0,0|1,0,0]=2 569 B11R1.166 C1=CC(=CC(=C1C(O)=O)F)F AK-49138 [0,1,0,0,0,0|1,0,0]=2 570 B11R1.166 C1=CC(=CC(=C1C(O)=O)F)N AK-25984 [0,1,0,0,0,0|1,0,0]=2 571 B11R1.166 C1=CC(=CC(=C1C(O)=O)O)C AK-73066 [0,1,0,0,0,0|1,0,0]=2 572 B11R1.166 C1=CC(=CC(=C1C(O)=O)O)Cl AK-47585 [0,1,0,0,0,0|1,0,0]=2 573 B11R1.166 C1=CC(=CC(=C1C(O)=O)O)F AK-29195 [0,1,0,0,0,0|1,0,0]=2 574 B11R1.166 C1=CC(=CC(=C1[N+]([O-])=O)O)Cl AK-30056 [0,1,0,0,0,0|2,0,1]=4 575 B11R1.166 CC(=O)C1=C(N)C=C(C)C=C1 AK-75553 [0,1,0,0,0,0|2,0,0]=3 576 B11R1.166 CC(C1=CC=C(Br)C=C1Cl)=O AK-77175 [0,1,0,0,0,0|2,0,0]=3 577 B11R1.166 CC(C1=CC=C(Br)C=C1F)=O AK-46535 [0,1,0,0,0,0|2,0,0]=3 578 B11R1.166 CC(C1=CC=C(Br)C=C1N)=O AK-38008 [0,1,0,0,0,0|2,0,0]=3 579 B11R1.166 CC(C1=CC=C(Br)C=C1O)=O AK-40002 [0,1,0,0,0,0|2,0,0]=3 580 B11R1.166 CC(C1=CC=C(C)C=C1F)=O AK115609 [0,1,0,0,0,0|2,0,0]=3 581 B11R1.166 CC(C1=CC=C(Cl)C=C1Br)=O AK-75637 [0,1,0,0,0,0|2,0,0]=3 582 B11R1.166 CC(C1=CC=C(Cl)N=C1Cl)=O AK-49093 [0,1,0,0,0,0|3,0,0]=4 583 B11R1.166 CC(C1=CC=C(F)C=C1Cl)=O AK-53695 [0,1,0,0,0,0|2,0,0]=3 584 B11R1.166 CC(C1=CC=C(O)C=C1Br)=O AK-75734 [0,1,0,0,0,0|1,0,0]=2 585 B11R1.166 CC(C1=CC=C(O)C=C1C)=O AK-50197 [0,1,0,0,0,0|1,0,0]=2 586 B11R1.166 CC(C1=CC=C(O)C=C1Cl)=O AK-36102 [0,1,0,0,0,0|1,0,0]=2 587 B11R1.166 CC(C1=CC=C(O)C=C1O)=O AK-50224 [0,1,0,0,0,0|1,0,0]=2 588 B11R1.166 CC1=C(C=CC(=C1)C)B(O)O AK-35632 [0,1,0,0,0,0|2,0,1]=4 589 B11R1.166 CC1=C(C=NC(Cl)=C1)C(O)=O AK-42673 [0,1,0,0,0,0|2,0,0]=3 590 B11R1.166 CC1=CC(F)=CC=C1[N+]([O-])=O AK-35196 [0,1,0,0,0,0|2,0,1]=4 591 B11R1.166 CC1=CC=C([N+]([O-])=O)C(F)=C1 AK-23702 [0,1,0,0,0,0|2,0,1]=4 592 B11R1.166 CC1=CC=C([N+]([O-])=O)C(N)=C1 AK-35723 [0,1,0,0,0,0|2,0,1]=4 593 B11R1.166 CC1=NC(C)=C(C=N1)C(O)=O AK-36268 [0,1,0,0,0,0|3,0,0]=4 594 B11R1.166 CC1=NC(O)=CC=C1[N+]([O-])=O AK-23864 [0,1,0,0,0,0|2,0,1]=4 595 B11R1.166 ClC1=C(C(=O)O)C=CC(=N1)O AK-25883 [0,1,0,0,0,0|1,0,0]=2 596 B11R1.166 ClC1=CC(=C(C=C1)B(O)O)C AK-28971 [0,1,0,0,0,0|2,0,1]=4 597 B11R1.166 ClC1=CC(=C(C=C1)C(C)=O)F AK-46375 [0,1,0,0,0,0|2,0,0]=3 598 B11R1.166 ClC1=CN=C(C(=C1)C)C(=O)O AK-29698 [0,1,0,0,0,0|2,0,0]=3 599 B11R1.166 ClC1=NC=C(C(=N1)Cl)C(=O)O AK-24354 [0,1,0,0,0,0|3,0,0]=4 600 B11R1.166 FC1=C(C(=O)O)C=CC(=C1)I AK-33039 [0,1,0,0,0,0|1,0,0]=2 601 B11R1.166 FC1=C(C=CC(=C1)C)B(O)O AK-27195 [0,1,0,0,0,0|2,0,1]=4 602 B11R1.166 FC1=NC(=C(C(=O)O)C=C1)C AK-30364 [0,1,0,0,0,0|2,0,0]=3 603 B11R1.166 NC(=O)C1=C(Cl)C=C(O)C=C1 AK108398 [0,1,0,0,0,0|1,0,0]=2 604 B11R1.166 NC(=O)C1=C(N)C=C(F)C=C1 AK-77547 [0,1,0,0,0,0|2,0,0]=3 605 B11R1.166 NC(=O)C1=CC=C(Cl)N=C1Cl AK-97072 [0,1,0,0,0,0|3,0,0]=4 606 B11R1.166 NC(=O)C1=CC=C(Cl)N=C1N AK-64550 [0,1,0,0,0,0|3,0,0]=4 607 B11R1.166 NC(=O)C1=NC=C(Cl)C=C1Cl AK100505 [0,1,0,0,0,0|3,0,0]=4 608 B11R1.166 NC1=C(C(=O)O)C=CC(=N1)Cl AK-31140 [0,1,0,0,0,0|2,0,0]=3 609 B11R1.166 NC1=CC(=C(C=C1)C(C)=O)O AK-34336 [0,1,0,0,0,0|2,0,0]=3 610 B11R1.166 NC1=CC(=NC=C1[N+](=O)[O-])O AK-25230 [0,1,0,0,0,0|2,0,1]=4 611 B11R1.166 NC1=CC(Br)=CC=C1[N+]([O-])=O AK-67591 [0,1,0,0,0,0|2,0,1]=4 612 B11R1.166 NC1=CC(Cl)=CC=C1N(=O)=O AK-26977 [0,1,0,0,0,0|2,0,1]=4 613 B11R1.166 NC1=CC=C([N+]([O-])=O)C(C)=C1 AK-35841 [0,1,0,0,0,0|2,0,1]=4 614 B11R1.166 NC1=CC=C([N+]([O-])=O)C(Cl)=C1 AK-61331 [0,1,0,0,0,0|2,0,1]=4 615 B11R1.166 NC1=CC=C([N+]([O-])=O)C(F)=C1 AK-34276 [0,1,0,0,0,0|2,0,1]=4 616 B11R1.166 NC1=CC=C([N+]([O-])=O)C(N)=C1 AK-93482 [0,1,0,0,0,0|2,0,1]=4 617 B11R1.166 O=C(C1=NC=C(F)C=C1F)O AK-36274 [0,1,0,0,0,0|2,0,0]=3 618 B11R1.166 O=C(C=1C(O)=CC(NC1)=O)O AK-27721 [0,1,0,0,0,0|1,0,1]=3 619 B11R1.166 O=C(N)C1=CC=C(C)C=C1N AK-49754 [0,1,0,0,0,0|2,0,0]=3 620 B11R1.166 O=C(N)C1=CC=C(Cl)C=C1N AK-43520 [0,1,0,0,0,0|2,0,0]=3 621 B11R1.166 O=C(N)C1=CC=C(F)C=C1F AK-86226 [0,1,0,0,0,0|2,0,0]=3 622 B11R1.166 O=C(N)C1=CC=C(I)C=C1Br AK349625 [0,1,0,0,0,0|2,0,0]=3 623 B11R1.166 O=C(N)C1=CN=C(Cl)C=C1Cl AK-29452 [0,1,0,0,0,0|3,0,0]=4 624 B11R1.166 O=C(N)C1=NC=C(Br)C=C1N AK-48703 [0,1,0,0,0,0|3,0,0]=4 625 B11R1.166 O=C(O)C1=C(C)N=C(Br)C=C1 AK144236 [0,1,0,0,0,0|2,0,0]=3 626 B11R1.166 O=C(O)C1=C(C)N=C(Cl)C=C1 AK-58691 [0,1,0,0,0,0|2,0,0]=3 627 B11R1.166 O=C(O)C1=C(Cl)N=C(C)C=C1 AK-84877 [0,1,0,0,0,0|2,0,0]=3 628 B11R1.166 O=C(O)C1=C(Cl)N=C(Cl)C=C1 AK-25090 [0,1,0,0,0,0|2,0,0]=3 629 B11R1.166 O=C(O)C1=C(F)N=C(Cl)C=C1 AK120480 [0,1,0,0,0,0|2,0,0]=3 630 B11R1.166 O=C(O)C1=C(N)N=C(Br)C=C1 AK-77320 [0,1,0,0,0,0|2,0,0]=3 631 B11R1.166 O=C(O)C1=C(O)N=C(Cl)C=C1 AK-68352 [0,1,0,0,0,0|2,0,0]=3 632 B11R1.166 O=C(O)C1=CC=C(Br)C=C1Cl AK-40035 [0,1,0,0,0,0|1,0,0]=2 633 B11R1.166 O=C(O)C1=CC=C(Br)C=C1F AK-45932 [0,1,0,0,0,0|1,0,0]=2 634 B11R1.166 O=C(O)C1=CC=C(Br)C=C1I AK-73142 [0,1,0,0,0,0|1,0,0]=2 635 B11R1.166 O=C(O)C1=CC=C(Br)C=C1O AK-44937 [0,1,0,0,0,0|1,0,0]=2 636 B11R1.166 O=C(O)C1=CC=C(C)C=C1Br AK-36340 [0,1,0,0,0,0|1,0,0]=2 637 B11R1.166 O=C(O)C1=CC=C(C)C=C1Cl AK-36338 [0,1,0,0,0,0|1,0,0]=2 638 B11R1.166 O=C(O)C1=CC=C(C)C=C1I AK201253 [0,1,0,0,0,0|1,0,0]=2 639 B11R1.166 O=C(O)C1=CC=C(F)C=C1Br AK-32641 [0,1,0,0,0,0|1,0,0]=2 640 B11R1.166 O=C(O)C1=CC=C(F)C=C1C AK-34672 [0,1,0,0,0,0|1,0,0]=2 641 B11R1.166 O=C(O)C1=CC=C(F)C=C1I AK-29400 [0,1,0,0,0,0|1,0,0]=2 642 B11R1.166 O=C(O)C1=CC=C(F)C=C1N AK-25985 [0,1,0,0,0,0|1,0,0]=2 643 B11R1.166 O=C(O)C1=CC=C(I)C=C1N AK-34047 [0,1,0,0,0,0|1,0,0]=2 644 B11R1.166 O=C(O)C1=CC=C(N)C=C1O AK-46320 [0,1,0,0,0,0|1,0,0]=2 645 B11R1.166 O=C(O)C1=CC=C(O)C=C1C AK-40693 [0,1,0,0,0,0|0,0,0]=1 646 B11R1.166 O=C(O)C1=CC=C(O)C=C1F AK-35989 [0,1,0,0,0,0|0,0,0]=1 647 B11R1.166 O=C(O)C1=CC=C(O)C=C1O AK-88714 [0,1,0,0,0,0|0,0,0]=1 648 B11R1.166 O=C(O)C1=CN=C(Br)C=C1Br AK-55073 [0,1,0,0,0,0|2,0,0]=3 649 B11R1.166 O=C(O)C1=CN=C(Br)C=C1Cl AK161047 [0,1,0,0,0,0|2,0,0]=3 650 B11R1.166 O=C(O)C1=CN=C(C)C=C1C AK-29000 [0,1,0,0,0,0|2,0,0]=3 651 B11R1.166 O=C(O)C1=CN=C(C)C=C1Cl AK-28459 [0,1,0,0,0,0|2,0,0]=3 652 B11R1.166 O=C(O)C1=CN=C(C)C=C1N AK-29804 [0,1,0,0,0,0|2,0,0]=3 653 B11R1.166 O=C(O)C1=CN=C(Cl)C=C1Br AK167576 [0,1,0,0,0,0|2,0,0]=3 654 B11R1.166 O=C(O)C1=CN=C(Cl)C=C1Cl AK-26772 [0,1,0,0,0,0|2,0,0]=3 655 B11R1.166 O=C(O)C1=CN=C(Cl)C=C1N AK121862 [0,1,0,0,0,0|2,0,0]=3 656 B11R1.166 O=C(O)C1=CN=C(F)C=C1C AK123501 [0,1,0,0,0,0|2,0,0]=3 657 B11R1.166 O=C(O)C1=CN=C(F)C=C1F AK-26362 [0,1,0,0,0,0|2,0,0]=3 658 B11R1.166 O=C(O)C1=CN=C(N)C=C1C AK-68341 [0,1,0,0,0,0|2,0,0]=3 659 B11R1.166 O=C(O)C1=CN=C(N)C=C1Cl AK153190 [0,1,0,0,0,0|2,0,0]=3 660 B11R1.166 O=C(O)C1=CN=C(O)C=C1Cl AK-55097 [0,1,0,0,0,0|1,0,0]=2 661 B11R1.166 O=C(O)C1=NC=C(Br)C=C1Cl AK-53906 [0,1,0,0,0,0|2,0,0]=3 662 B11R1.166 O=C(O)C1=NC=C(C)C=C1Br AK-76925 [0,1,0,0,0,0|2,0,0]=3 663 B11R1.166 O=C(O)C1=NC=C(Cl)C=C1Br AK101091 [0,1,0,0,0,0|2,0,0]=3 664 B11R1.166 O=C(O)C1=NC=C(Cl)C=C1N AK120030 [0,1,0,0,0,0|2,0,0]=3 665 B11R1.166 O=C(O)C1=NC=C(F)C=C1Br AK-53675 [0,1,0,0,0,0|2,0,0]=3 666 B11R1.166 O=C([O-])C1=CC=C(N)C=C1O AK154081 [0,1,0,0,0,0|1,0,1]=3 667 B11R1.166 O=C1C(=CNC(N1)=O)C(O)=O AK-25649 [0,1,0,0,0,0|2,0,1]=4 668 B11R1.166 O=[N+](C1=CC=C(Br)C=C1Br)[O-] AK-51080 [0,1,0,0,0,0|2,0,1]=4 669 B11R1.166 O=[N+](C1=CC=C(Br)C=C1C)[O-] AK-35477 [0,1,0,0,0,0|2,0,1]=4 670 B11R1.166 O=[N+](C1=CC=C(Cl)C=C1F)[O-] AK-39807 [0,1,0,0,0,0|2,0,1]=4 671 B11R1.166 O=[N+](C1=CN=C(O)C=C1C)[O-] AK-28996 [0,1,0,0,0,0|2,0,1]=4 672 B11R1.166 OB(C1=CC=C(F)C=C1C)O AK-33224 [0,1,0,0,0,0|2,0,1]=4 673 B11R1.166 OB(C1=CC=C(F)C=C1Cl)O AK-34635 [0,1,0,0,0,0|2,0,1]=4 674 B11R1.166 OB(C1=CC=C(F)C=C1O)O AK-46419 [0,1,0,0,0,0|2,0,1]=4 675 B11R1.166 OB(C1=CC=C(O)C=C1C)O AK-29297 [0,1,0,0,0,0|1,0,1]=3 676 B11R1.166 OB(C1=CC=C(O)C=C1Cl)O AK-43746 [0,1,0,0,0,0|1,0,1]=3 677 B11R1.166 OB(O)C1=C(F)C=C(I)C=C1 AK-25870 [0,1,0,0,0,0|2,0,1]=4 678 B11R1.166 OC(=O)C1=C(Br)C=C(I)C=C1 AK-61744 [0,1,0,0,0,0|1,0,0]=2 679 B11R1.166 OC(=O)C1=C(F)C=C(Br)C=N1 AK-53915 [0,1,0,0,0,0|2,0,0]=3 680 B11R1.166 OC(=O)C1=NC=C(Br)C=C1Br AK-30252 [0,1,0,0,0,0|2,0,0]=3 681 B11R1.166 OC(=O)C1=NC=C(Cl)N=C1Cl AK-51403 [0,1,0,0,0,0|3,0,0]=4 682 B11R1.166 OC(=O)C1=NC=C(F)C=C1Cl AK109963 [0,1,0,0,0,0|2,0,0]=3 683 B11R1.166 OC1=C(C=CC(I)=C1)[N+]([O-])=O AK-80852 [0,1,0,0,0,0|2,0,1]=4 684 B11R1.166 OC1=CC(=NC=C1C(=O)O)C AK-25007 [0,1,0,0,0,0|2,0,0]=3 685 B11R1.166 OC1=CC(C)=CC=C1[N+]([O-])=O AK-29443 [0,1,0,0,0,0|2,0,1]=4 686 B11R1.166 OC1=CC(Cl)=C(C=C1)[N+]([O-])=O AK109849 [0,1,0,0,0,0|1,0,1]=3 687 B11R1.166 OC1=CC=C(B(O)O)C(F)=C1 AK-62257 [0,1,0,0,0,0|1,0,1]=3 688 B11R1.166 OC1=CC=C(C(C)C)C(C)=C1 AK113729 [0,1,0,0,0,0|2,0,1]=4 689 B11R1.166 OC1=CC=C(C(C)C)C(O)=C1 AK-81550 [0,1,0,0,0,0|2,0,1]=4 690 B11R1.166 OC1=CC=C([N+]([O-])=O)C(Br)=C1 AK-76862 [0,1,0,0,0,0|1,0,1]=3 691 B11R1.166 OC1=CC=C([N+]([O-])=O)C(F)=C1 AK-25905 [0,1,0,0,0,0|1,0,1]=3 692 B11R1.166 OC1=CC=C([N+]([O-])=O)C(I)=C1 AK-39967 [0,1,0,0,0,0|1,0,1]=3 693 B11R1.166 S=C1NC(C(=CN1)C(O)=O)=O AK327607 [0,1,0,0,0,0|2,1,0]=4 694 B11R1.166 [O-][N+](=O)C1=C(F)C=C(I)C=C1 AK-64473 [0,1,0,0,0,0|2,0,1]=4 695 B11R2.34 OC1=CC=C(C2CC2)C=C1 AK-80032 [0,0,0,1,0,0|2,0,1]=4 696 B9R1.35 BrC1=CC(=CS1)C(=O)O AK-28622 [0,0,0,0,1,0|2,0,0]=3 697 B9R1.35 BrC1=CC(=CS1)C(C)=O AK-35777 [0,0,0,0,1,0|3,0,0]=4 698 B9R1.35 C1=C(C(=O)O)SC(=N1)N AK-24488 [0,0,0,0,1,0|3,0,0]=4 699 B9R1.35 C1=C(C)[NH]N=C1C(O)=O AK-27812 [0,0,0,0,1,0|3,0,0]=4 700 B9R1.35 C1=C(OC(=C1)Br)C(O)=O AK-35759 [0,0,0,0,1,0|2,0,0]=3 701 B9R1.35 C1=C(OC(=C1)C)C(O)=O AK-44799 [0,0,0,0,1,0|2,0,0]=3 702 B9R1.35 C1=C(ON=C1Br)C(=O)O AK-21783 [0,0,0,0,1,0|3,0,0]=4 703 B9R1.35 C1=C(SC(=C1)C(O)=O)Cl AK-29045 [0,0,0,0,1,0|2,0,0]=3 704 B9R1.35 C1=C(SC(=C1)C)C(=O)C AK-33183 [0,0,0,0,1,0|3,0,0]=4 705 B9R1.35 C1=C(SC(=C1)Cl)C(C)=O AK-47623 [0,0,0,0,1,0|3,0,0]=4 706 B9R1.35 C1=C(SC(=N1)C)C(=O)O AK-35030 [0,0,0,0,1,0|3,0,0]=4 707 B9R1.35 CC(=O)C1=CC=C(C)O1 AK-77189 [0,0,0,0,1,0|3,0,0]=4 708 B9R1.35 CC(C1=CC(Cl)=CS1)=O AK-77338 [0,0,0,0,1,0|3,0,0]=4 709 B9R1.35 CC1=CC=C(N1)C(O)=O AK100045 [0,0,0,0,1,0|2,0,0]=3 710 B9R1.35 CC1=CN=C(S1)C(=O)O AK-26650 [0,0,0,0,1,0|3,0,0]=4 711 B9R1.35 CN1C=CC(=C1)C(O)=O AK-28665 [0,0,0,0,1,0|2,0,0]=3 712 B9R1.35 ClC1=CC(=CS1)C(=O)O AK-29222 [0,0,0,0,1,0|2,0,0]=3 713 B9R1.35 O=C(C1=CC(Br)=CN1)N AK106602 [0,0,0,0,1,0|3,0,0]=4 714 B9R1.35 O=C(C1=CC(Br)=CO1)N AK120768 [0,0,0,0,1,0|3,0,0]=4 715 B9R1.35 O=C(C1=CC(Br)=CS1)N AK-90412 [0,0,0,0,1,0|3,0,0]=4 716 B9R1.35 O=C(C1=CC(Br)=CS1)O AK-24697 [0,0,0,0,1,0|2,0,0]=3 717 B9R1.35 O=C(C1=CC(C)=NO1)O AK-29291 [0,0,0,0,1,0|3,0,0]=4 718 B9R1.35 O=C(C1=CC(O)=NO1)N AK143689 [0,0,0,0,1,0|3,0,0]=4 719 B9R1.35 O=C(C1=CC(O)=NO1)O AK-58553 [0,0,0,0,1,0|2,0,0]=3 720 B9R1.35 O=C(C1=CC=C(Br)S1)O AK-26297 [0,0,0,0,1,0|2,0,0]=3 721 B9R1.35 O=C(C1=CC=C(C)S1)O AK-25546 [0,0,0,0,1,0|2,0,0]=3 722 B9R1.35 O=C(C1=CC=C(Cl)O1)O AK-94156 [0,0,0,0,1,0|2,0,0]=3 723 B9R1.35 O=C(C1=CC=C(F)S1)O AK-35162 [0,0,0,0,1,0|2,0,0]=3 724 B9R1.35 O=C(C1=CC=C(I)S1)O AK113691 [0,0,0,0,1,0|2,0,0]=3 725 B9R1.35 O=C(C1=CN(C)C=N1)O AK-30010 [0,0,0,0,1,0|3,0,0]=4 726 B9R1.35 O=C(C1=CN(C)N=C1)O AK-39751 [0,0,0,0,1,0|3,0,0]=4 727 B9R1.35 O=C(C1=CN=C(Br)S1)O AK-26941 [0,0,0,0,1,0|3,0,0]=4 728 B9R1.35 O=C(C1=CN=C(C)O1)O AK-43778 [0,0,0,0,1,0|3,0,0]=4 729 B9R1.35 O=C(C1=CNC(C)=C1)O AK-78330 [0,0,0,0,1,0|2,0,0]=3 730 B9R1.35 O=C(C1=CNC(C)=N1)O AK-78654 [0,0,0,0,1,0|3,0,0]=4 731 B9R1.35 O=C(C1=COC(Br)=N1)O AK-76031 [0,0,0,0,1,0|3,0,0]=4 732 B9R1.35 O=C(C1=COC(I)=N1)O AK-41227 [0,0,0,0,1,0|3,0,0]=4 733 B9R1.35 O=C(C1=CSC(Br)=C1)N AK138264 [0,0,0,0,1,0|3,0,0]=4 734 B9R1.35 O=C(C1=CSC(Br)=N1)O AK-23610 [0,0,0,0,1,0|3,0,0]=4 735 B9R1.35 O=C(C1=CSC(Cl)=N1)O AK-48303 [0,0,0,0,1,0|3,0,0]=4 736 B9R1.35 O=C(C1=NC(Br)=CS1)O AK-40795 [0,0,0,0,1,0|3,0,0]=4 737 B9R1.35 O=C(C1=NC(C)=CN1)O AK-29453 [0,0,0,0,1,0|3,0,0]=4 738 B9R1.35 O=C(C1=NC=C(Br)S1)O AK122038 [0,0,0,0,1,0|3,0,0]=4 739 B9R1.35 O=C(C1=NN(C)C=C1)O AK-79303 [0,0,0,0,1,0|3,0,0]=4 740 B9R1.35 O=C(C1=NNC(Br)=C1)O AK128451 [0,0,0,0,1,0|3,0,0]=4 741 B9R1.35 O=C(C1=NNC(Cl)=C1)O AK112708 [0,0,0,0,1,0|3,0,0]=4 742 B9R1.35 O=C(C1=NOC(C)=C1)O AK-25795 [0,0,0,0,1,0|3,0,0]=4 743 B9R1.35 O=C(Cl)C1=CC=C(Cl)S1 AK-48243 [0,0,0,0,1,0|3,0,0]=4 744 B9R1.35 O=C(O)C1=CC(Br)=CO1 AK-41331 [0,0,0,0,1,0|2,0,0]=3 745 B9R1.35 OC(=O)C1=CC(Br)=CN1 AK-27737 [0,0,0,0,1,0|2,0,0]=3 746 B9R1.35 OC(=O)C1=CC(Cl)=CS1 AK-89071 [0,0,0,0,1,0|2,0,0]=3 747 B9R1.35 OC(=O)C1=CC(F)=CS1 AK-29152 [0,0,0,0,1,0|2,0,0]=3 748 B9R1.35 OC(=O)C1=CC=C(Br)N1 AK100216 [0,0,0,0,1,0|2,0,0]=3 749 B9R1.35 OC(=O)C1=CNC(=O)N1 AK-68699 [0,0,0,0,1,0|2,0,1]=4 750 B9R1.35 OC(=O)C1=COC(Cl)=N1 AK-72648 [0,0,0,0,1,0|3,0,0]=4 751 B9R1.35 OC(=O)C1=NNC(O)=C1 AK-96196 [0,0,0,0,1,0|2,0,0]=3 752 B11R1.20 BrC1=CN=C(C=C1)CC(=O)O AK-46600 [0,0,0,0,0,1|2,0,0]=3 753 B11R1.20 C1=C(C=CC(=C1)F)CC(O)=O AK-49121 [0,0,0,0,0,1|1,0,0]=2 754 B11R1.20 C1=CC(=CC=C1CC(C)=O)F AK-50578 [0,0,0,0,0,1|2,0,0]=3 755 B11R1.20 C1=CC(=CC=C1N)CC(O)=O AK-47573 [0,0,0,0,0,1|1,0,0]=2 756 B11R1.20 CC(NC1=CC=C(C)C=C1)=O AK208638 [0,0,0,0,0,1|2,0,0]=3 757 B11R1.20 CC(NC1=CC=C(I)C=C1)=O AK115722 [0,0,0,0,0,1|2,0,0]=3 758 B11R1.20 CC(NC1=CC=C(O)N=C1)=O AK152813 [0,0,0,0,0,1|2,0,0]=3 759 B11R1.20 CC(NC1=NC=C(Br)C=C1)=O AK-32386 [0,0,0,0,0,1|3,0,0]=4 760 B11R1.20 CC(NC1=NC=C(O)C=C1)=O AK114074 [0,0,0,0,0,1|2,0,0]=3 761 B11R1.20 NC(=O)NC1=CC=C(Cl)C=C1 AK-59139 [0,0,0,0,0,1|2,0,0]=3 762 B11R1.20 O=C(N)CC1=CC=C(Cl)C=C1 AK201413 [0,0,0,0,0,1|2,0,0]=3 763 B11R1.20 O=C(N)CC1=NC=C(Br)C=C1 AK141365 [0,0,0,0,0,1|3,0,0]=4 764 B11R1.20 O=C(O)CC1=CC=C(C)C=C1 AK-45538 [0,0,0,0,0,1|1,0,0]=2 765 B11R1.20 O=C(O)CC1=CC=C(Cl)N=C1 AK-48828 [0,0,0,0,0,1|2,0,0]=3 766 B11R1.20 O=C(O)CC1=CC=C(I)C=C1 AK-45403 [0,0,0,0,0,1|1,0,0]=2 767 B11R1.20 O=C(O)CC1=CC=C(N)N=C1 AK112112 [0,0,0,0,0,1|2,0,0]=3 768 B11R1.20 O=C(O)CC1=NC=C(C)C=C1 AK139129 [0,0,0,0,0,1|2,0,0]=3 769 B11R1.20 O=C(O)CC1=NC=C(F)C=N1 AK-43706 [0,0,0,0,0,1|3,0,0]=4 770 B11R1.20 OC(=O)CC1=CC=C(Br)C=C1 AK-45378 [0,0,0,0,0,1|1,0,0]=2 771 B11R1.20 OC(=O)CC1=CC=C(Cl)C=C1 AK-76702 [0,0,0,0,0,1|1,0,0]=2 772 B11R1.20 OC(=O)CC1=CC=C(O)C=C1 AK101098 [0,0,0,0,0,1|0,0,0]=1 773 B11R1.20 OC1=CC=C(OC(F)F)C=C1 AK116337 [0,0,0,0,0,1|2,0,1]=4 774 B11R1.20 S=C(N)NC1=CC=C(C)C=C1 AK161770 [0,0,0,0,0,1|2,1,0]=4 775 B8R1.2 ICC1=CC=CC=C1 AK-54444 [2,0,0,0,0,0|1,0,1]=4 776 B8R1.2 N#CC1=CC=CC=C1 AK-49389 [2,0,0,0,0,0|1,0,1]=4 777 B8R1.2 N1=CN=C(C=C1)C=O AK-23925 [2,0,0,0,0,0|2,0,0]=4 778 B8R1.2 N1=CN=CC(=C1)C=O AK-25240 [2,0,0,0,0,0|2,0,0]=4 779 B8R1.2 NNC1=CC=CC=C1 AK114548 [2,0,0,0,0,0|2,0,0]=4 780 B8R1.2 NOC1=CC=CC=C1 AK-77703 [2,0,0,0,0,0|2,0,0]=4 781 B8R1.2 O=CC1=CC=NC=C1 AK-50192 [2,0,0,0,0,0|1,0,0]=3 782 B8R1.2 OCC1=CC=CN=C1 AK-46173 [2,0,0,0,0,0|1,0,1]=4 783 B8R1.2 OCC1=CC=NC=C1 AK-44706 [2,0,0,0,0,0|1,0,1]=4 784 B8R1.2 OCC1=CC=NC=C1 AK175384 [2,0,0,0,0,0|1,0,1]=4 785 B8R1.2 OCC1=NC=CC=C1 AK-53905 [2,0,0,0,0,0|1,0,1]=4 786 B8R1.2 ONC1=CC=CC=C1 AK139965 [2,0,0,0,0,0|1,0,0]=3 787 B8R1.3 BrC1=CC=C(Br)C=C1 AK-77031 [2,0,0,0,0,0|2,0,0]=4 788 B8R1.3 C1=C(C=NC(=C1)Cl)O AK-25948 [2,0,0,0,0,0|2,0,0]=4 789 B8R1.3 C1=C(O)C=NC(=C1)C AK-27703 [2,0,0,0,0,0|1,0,1]=4 790 B8R1.3 C1=CC(=CC=C1Br)I AK-46448 [2,0,0,0,0,0|2,0,0]=4 791 B8R1.3 C1=CC(=CC=C1I)I AK-72778 [2,0,0,0,0,0|2,0,0]=4 792 B8R1.3 CC1=CC=C(I)C=C1 AK-95999 [2,0,0,0,0,0|1,0,1]=4 793 B8R1.3 ClC1=CC=C(Br)C=C1 AK-98696 [2,0,0,0,0,0|2,0,0]=4 794 B8R1.3 FC1=CC=C(I)C=C1 AK-48799 [2,0,0,0,0,0|2,0,0]=4 795 B8R1.3 IC1=CC=C(Cl)C=C1 AK-50754 [2,0,0,0,0,0|2,0,0]=4 796 B8R1.3 IC1=CNC(=O)C=C1 AK-25382 [2,0,0,0,0,0|2,0,0]=4 797 B8R1.3 NC1=CC=C(I)C=C1 AK-49877 [2,0,0,0,0,0|2,0,0]=4 798 B8R1.3 NC1=CC=C(O)C=N1 AK-40830 [2,0,0,0,0,0|2,0,0]=4 799 B8R1.3 NC1=CN=C(O)C=C1 AK-48682 [2,0,0,0,0,0|2,0,0]=4 800 B8R1.3 O=C1C=CC(Cl)=CN1 AK-30015 [2,0,0,0,0,0|2,0,0]=4 801 B8R1.3 O=C1C=CC(N)=CN1 AK-30033 [2,0,0,0,0,0|2,0,0]=4 802 B8R1.3 OC1=CC=C(F)C=C1 AK-48196 [2,0,0,0,0,0|1,0,0]=3 803 B8R1.3 OC1=CC=C(F)N=C1 AK-23515 [2,0,0,0,0,0|2,0,0]=4 804 B8R1.3 OC1=CC=C(N)C=C1 AK109176 [2,0,0,0,0,0|1,0,0]=3 805 B8R1.3 OC1=CC=C(N)N=C1 AK-28002 [2,0,0,0,0,0|2,0,0]=4 806 B8R1.3 OC1=CN=C(Br)C=C1 AK-25164 [2,0,0,0,0,0|2,0,0]=4 807 B8R1.3 OC1=CNC(=O)C=C1 AK-86050 [2,0,0,0,0,0|1,0,0]=3 808 B8R1.3 OC1=NC=C(Br)C=C1 AK-28009 [2,0,0,0,0,0|2,0,0]=4 809 B8R1.3 OC1=NC=C(C)C=C1 AK-25236 [2,0,0,0,0,0|1,0,1]=4 810 B8R1.3 OC1=NN=C(O)C=C1 AK-86202 [2,0,0,0,0,0|2,0,0]=4 811 B10R1.1 BrC1=CC=C(C=C1)CC=O AK-25692 [1,1,0,0,0,0|1,0,0]=3 812 B10R1.1 C1=C(C=CC(=C1)Br)CCO AK-35260 [1,1,0,0,0,0|1,0,1]=4 813 B10R1.1 C1=C(C=CC(=C1)O)CCN AK-47332 [1,1,0,0,0,0|1,0,1]=4 814 B10R1.1 C1=CC(=CC=C1CCO)I AK-40186 [1,1,0,0,0,0|1,0,1]=4 815 B10R1.1 C1=CC(=CC=C1CCO)O AK-35340 [1,1,0,0,0,0|0,0,1]=3 816 B10R1.1 ClC1=CC=C(CCO)C=C1 AK-86505 [1,1,0,0,0,0|1,0,1]=4 817 B10R1.1 FC1=CC=C(CCO)C=C1 AK-51236 [1,1,0,0,0,0|1,0,1]=4 818 B10R1.1 N#CCC1=CC=C(O)C=C1 AK-33252 [1,1,0,0,0,0|1,0,1]=4 819 B10R1.1 NC1=CC=C(CCO)C=C1 AK-47701 [1,1,0,0,0,0|1,0,1]=4 820 B10R1.1 NC1=CC=C(COC)C=C1 AK-78891 [1,1,0,0,0,0|1,0,1]=4 821 B10R1.1 NOCC1=CC=C(F)C=C1 AK-86671 [1,1,0,0,0,0|1,0,1]=4 822 B10R1.1 OC1=CC=C(CCBr)C=C1 AK-59257 [1,1,0,0,0,0|1,0,1]=4 823 B10R1.1 OC1=CC=C(CCC)C=C1 AK164480 [1,1,0,0,0,0|1,0,1]=4 824 B10R1.1 OC1=CC=C(COC)C=C1 AK-42631 [1,1,0,0,0,0|0,0,1]=3 825 B10R1.1 OC1=CC=C(OCC)C=C1 AK163223 [1,1,0,0,0,0|1,0,1]=4 826 B10R1.3 C(=O)C1=CN=C(C=C1)C#N AK-49150 [1,1,0,0,0,0|2,0,0]=4 827 B10R1.3 C1=C(C=CC(=C1)C#C)OC AK-47351 [1,1,0,0,0,0|1,0,1]=4 828 B10R1.3 C1=NC(=NC=C1C=O)OC AK-24039 [1,1,0,0,0,0|2,0,0]=4 829 B10R1.3 CNC1=CC=C(OC)C=C1 AK-89674 [1,1,0,0,0,0|2,0,0]=4 830 B10R1.3 COC1=CC=C(C=C)C=C1 AK-46470 [1,1,0,0,0,0|1,0,0]=3 831 B10R1.3 COC1=CC=C(CO)C=C1 AK-46460 [1,1,0,0,0,0|0,0,1]=3 832 B10R1.3 COC1=CC=C(CO)C=N1 AK-65086 [1,1,0,0,0,0|1,0,1]=4 833 B10R1.3 N#CC1=CC=C(CO)C=C1 AK142802 [1,1,0,0,0,0|1,0,1]=4 834 B10R1.3 N#CC1=CC=C(OC)C=C1 AK-50195 [1,1,0,0,0,0|1,0,1]=4 835 B10R1.3 NCC1=CC=C(CO)C=C1 AK-32003 [1,1,0,0,0,0|1,0,1]=4 836 B10R1.3 NNC1=CC=C(OC)C=C1 AK-47322 [1,1,0,0,0,0|2,0,0]=4 837 B10R1.3 O=CC1=CC=C(C#C)C=C1 AK-51699 [1,1,0,0,0,0|1,0,0]=3 838 B10R1.3 O=CC1=CC=C(C#N)C=C1 AK-41243 [1,1,0,0,0,0|1,0,0]=3 839 B10R1.3 O=CC1=CC=C(C=N1)C#N AK-40989 [1,1,0,0,0,0|2,0,0]=4 840 B10R1.3 O=CC1=CC=C(C=O)C=C1 AK-40107 [1,1,0,0,0,0|0,0,1]=3 841 B10R1.3 O=CC1=CC=C(CCl)C=C1 AK113959 [1,1,0,0,0,0|1,0,0]=3 842 B10R1.3 O=CC1=CN=C(OC)C=C1 AK-36019 [1,1,0,0,0,0|1,0,0]=3 843 B10R1.3 O=CC1=NC=C(CC)C=C1 AK118117 [1,1,0,0,0,0|2,0,0]=4 844 B10R1.3 O=CC1=NC=C(OC)C=C1 AK-34181 [1,1,0,0,0,0|1,0,0]=3 845 B10R1.3 OCC1=CC=C(C#C)C=C1 AK164494 [1,1,0,0,0,0|1,0,1]=4 846 B10R1.3 OCC1=CC=C(C=O)C=C1 AK-77797 [1,1,0,0,0,0|0,0,0]=2 847 B10R1.3 OCC1=CC=C(CBr)C=C1 AK-81957 [1,1,0,0,0,0|1,0,1]=4 848 B10R1.3 OCC1=CC=C(CCl)C=C1 AK-64050 [1,1,0,0,0,0|1,0,1]=4 849 B10R1.3 OCC1=CC=C(CO)C=C1 AK-45211 [1,1,0,0,0,0|0,0,1]=3 850 B10R1.3 OCC1=NC=C(OC)C=C1 AK-33076 [1,1,0,0,0,0|1,0,1]=4 851 B10R1.25 BrC1=C(C=CC(=C1)O)OC AK-25497 [1,1,0,0,0,0|2,0,0]=4 852 B10R1.25 BrC1=C(C=O)C=CC(=C1)Cl AK-36523 [1,1,0,0,0,0|1,0,0]=3 853 B10R1.25 BrC1=C(C=O)C=CC(=C1)I AK-34421 [1,1,0,0,0,0|1,0,0]=3 854 B10R1.25 BrC1=CC(=C(C=O)C=C1)C AK-61711 [1,1,0,0,0,0|1,0,0]=3 855 B10R1.25 C1=C(C(=CC=C1F)C=O)Cl AK-36516 [1,1,0,0,0,0|1,0,0]=3 856 B10R1.25 C1=CC(=CC(=C1C=O)F)Br AK-27093 [1,1,0,0,0,0|1,0,0]=3 857 B10R1.25 CC1=CC(Cl)=NC=C1C=O AK-46659 [1,1,0,0,0,0|2,0,0]=4 858 B10R1.25 ClC1=C(C=O)C=CC(=C1)Br AK-25465 [1,1,0,0,0,0|1,0,0]=3 859 B10R1.25 ClC1=C(C=O)C=CC(=C1)O AK-24943 [1,1,0,0,0,0|0,0,0]=2 860 B10R1.25 ClC1=CC(=C(C=O)C=C1)O AK-23506 [1,1,0,0,0,0|1,0,0]=3 861 B10R1.25 ClC1=NC(=CC=C1C=O)Cl AK-35627 [1,1,0,0,0,0|2,0,0]=4 862 B10R1.25 FC1=C(C=O)C=CC(=C1)O AK-25823 [1,1,0,0,0,0|0,0,0]=2 863 B10R1.25 FC1=CC=C(C(=C1)O)C=O AK-25824 [1,1,0,0,0,0|1,0,0]=3 864 B10R1.25 FC1=NC(=CC=C1C=O)F AK-33458 [1,1,0,0,0,0|2,0,0]=4 865 B10R1.25 N#CC1=CC=C(O)C=C1C AK136307 [1,1,0,0,0,0|1,0,1]=4 866 B10R1.25 N#CC1=CC=C(O)C=C1Cl AK-34728 [1,1,0,0,0,0|1,0,1]=4 867 B10R1.25 N#CC1=CC=C(O)C=C1F AK-36467 [1,1,0,0,0,0|1,0,1]=4 868 B10R1.25 N#CC1=CC=C(O)C=C1O AK-86504 [1,1,0,0,0,0|1,0,1]=4 869 B10R1.25 NC1=C(C=O)C=CC(=C1)Br AK-24355 [1,1,0,0,0,0|1,0,0]=3 870 B10R1.25 NC1=C(C=O)C=CC(F)=C1 AK-40610 [1,1,0,0,0,0|1,0,0]=3 871 B10R1.25 O=CC1=C(Cl)N=C(Br)C=C1 AK-98155 [1,1,0,0,0,0|2,0,0]=4 872 B10R1.25 O=CC1=CC=C(Br)C=C1Br AK-94346 [1,1,0,0,0,0|1,0,0]=3 873 B10R1.25 O=CC1=CC=C(Br)C=C1O AK-24055 [1,1,0,0,0,0|1,0,0]=3 874 B10R1.25 O=CC1=CC=C(C)C=C1Br AK-36471 [1,1,0,0,0,0|1,0,0]=3 875 B10R1.25 O=CC1=CC=C(C)C=C1C AK-51228 [1,1,0,0,0,0|1,0,0]=3 876 B10R1.25 O=CC1=CC=C(C)C=C1Cl AK-51348 [1,1,0,0,0,0|1,0,0]=3 877 B10R1.25 O=CC1=CC=C(C)C=C1F AK-25429 [1,1,0,0,0,0|1,0,0]=3 878 B10R1.25 O=CC1=CC=C(C)C=C1O AK-30310 [1,1,0,0,0,0|1,0,0]=3 879 B10R1.25 O=CC1=CC=C(Cl)C=C1C AK-35038 [1,1,0,0,0,0|1,0,0]=3 880 B10R1.25 O=CC1=CC=C(Cl)C=C1F AK-53686 [1,1,0,0,0,0|1,0,0]=3 881 B10R1.25 O=CC1=CC=C(Cl)C=C1N AK137796 [1,1,0,0,0,0|1,0,0]=3 882 B10R1.25 O=CC1=CC=C(F)C=C1Br AK-35776 [1,1,0,0,0,0|1,0,0]=3 883 B10R1.25 O=CC1=CC=C(F)C=C1C AK-35928 [1,1,0,0,0,0|1,0,0]=3 884 B10R1.25 O=CC1=CC=C(F)C=C1F AK-44552 [1,1,0,0,0,0|1,0,0]=3 885 B10R1.25 O=CC1=CC=C(I)C=C1O AK137741 [1,1,0,0,0,0|1,0,0]=3 886 B10R1.25 O=CC1=CC=C(N)C=C1Br AK149311 [1,1,0,0,0,0|1,0,0]=3 887 B10R1.25 O=CC1=CC=C(N)C=C1N AK136530 [1,1,0,0,0,0|1,0,0]=3 888 B10R1.25 O=CC1=CC=C(O)C=C1O AK-50262 [1,1,0,0,0,0|0,0,0]=2 889 B10R1.25 O=CC1=CN=C(Br)C=C1C AK-61554 [1,1,0,0,0,0|2,0,0]=4 890 B10R1.25 O=CC1=CN=C(C)C=C1C AK146838 [1,1,0,0,0,0|2,0,0]=4 891 B10R1.25 O=CC1=CN=C(Cl)C=C1Br AK123512 [1,1,0,0,0,0|2,0,0]=4 892 B10R1.25 O=CC1=CN=C(Cl)C=C1Cl AK-86655 [1,1,0,0,0,0|2,0,0]=4 893 B10R1.25 O=CC1=CN=C(Cl)C=C1N AK113060 [1,1,0,0,0,0|2,0,0]=4 894 B10R1.25 O=CC1=CN=C(F)C=C1Cl AK121839 [1,1,0,0,0,0|2,0,0]=4 895 B10R1.25 OC1=CC(=C(C=O)C=C1)C AK-24767 [1,1,0,0,0,0|0,0,0]=2 896 B10R1.25 OC1=CC(Br)=C(C=O)C=C1 AK-99903 [1,1,0,0,0,0|0,0,0]=2 897 B10R1.25 OC1=CC(I)=C(C=O)C=C1 AK100265 [1,1,0,0,0,0|0,0,0]=2 898 B10R1.25 OC1=CC=C(OC)C(F)=C1 AK-35214 [1,1,0,0,0,0|2,0,0]=4 899 B10R1.25 OC1=CC=C(OC)C(O)=C1 AK114475 [1,1,0,0,0,0|2,0,0]=4 900 B10R1.25 OCC1=C(Br)C=C(Br)C=C1 AK-76830 [1,1,0,0,0,0|1,0,1]=4 901 B10R1.25 OCC1=C(F)C=C(Cl)C=C1 AK-46376 [1,1,0,0,0,0|1,0,1]=4 902 B10R1.25 OCC1=CC=C(Br)C=C1C AK-59623 [1,1,0,0,0,0|1,0,1]=4 903 B10R1.25 OCC1=CC=C(Br)C=C1N AK-30952 [1,1,0,0,0,0|1,0,1]=4 904 B10R1.25 OCC1=CC=C(C)C=C1C AK-61593 [1,1,0,0,0,0|1,0,1]=4 905 B10R1.25 OCC1=CC=C(Cl)C=C1Cl AK-86288 [1,1,0,0,0,0|1,0,1]=4 906 B10R1.25 OCC1=CC=C(N)C=C1C AK143112 [1,1,0,0,0,0|1,0,1]=4 907 B10R1.176 BrC1=C(Br)C=C(C=O)C=C1 AK111131 [1,1,0,0,0,0|1,0,0]=3 908 B10R1.176 BrC1=C(C=C(C=O)C=C1)C AK-54790 [1,1,0,0,0,0|1,0,0]=3 909 B10R1.176 BrC1=C(C=C(C=O)C=C1)F AK-25371 [1,1,0,0,0,0|1,0,0]=3 910 B10R1.176 C1=C(C(=CC=C1C#N)O)Br AK-34248 [1,1,0,0,0,0|1,0,1]=4 911 B10R1.176 C1=C(C(=CC=C1C=O)O)C AK-45466 [1,1,0,0,0,0|0,0,0]=2 912 B10R1.176 C1=C(C(=CC=C1C=O)O)Cl AK-44952 [1,1,0,0,0,0|0,0,0]=2 913 B10R1.176 C1=C(C(=CC=C1CO)Cl)Cl AK-46784 [1,1,0,0,0,0|1,0,1]=4 914 B10R1.176 C1=C(C(=CC=C1OC)O)Cl AK-33801 [1,1,0,0,0,0|2,0,0]=4 915 B10R1.176 C1=C(C=CC(=C1Br)O)CO AK-45658 [1,1,0,0,0,0|0,0,1]=3 916 B10R1.176 C1=C(C=CC(=C1F)Cl)C=O AK-29387 [1,1,0,0,0,0|1,0,0]=3 917 B10R1.176 C1=C(C=CC(=C1O)O)C=O AK-39223 [1,1,0,0,0,0|0,0,0]=2 918 B10R1.176 C=CC1=CC=C(Cl)C(Cl)=C1 AK-45907 [1,1,0,0,0,0|2,0,0]=4 919 B10R1.176 CC1=C(Br)C=C(C=O)C=C1 AK-39755 [1,1,0,0,0,0|1,0,0]=3 920 B10R1.176 CC1=C(Br)C=C(CO)C=C1 AK104804 [1,1,0,0,0,0|1,0,1]=4 921 B10R1.176 CC1=C(Cl)C=CC(C=O)=C1 AK-44210 [1,1,0,0,0,0|1,0,0]=3 922 B10R1.176 COC1=CC=C(O)C(C)=C1 AK-44144 [1,1,0,0,0,0|2,0,0]=4 923 B10R1.176 ClC1=C(Br)C=CC(C=O)=C1 AK-40221 [1,1,0,0,0,0|1,0,0]=3 924 B10R1.176 ClC1=NC=C(C=C1Cl)C=O AK-36201 [1,1,0,0,0,0|2,0,0]=4 925 B10R1.176 N#CC1=CC=C(O)C(C)=C1 AK167047 [1,1,0,0,0,0|1,0,1]=4 926 B10R1.176 N#CC1=CC=C(O)C(F)=C1 AK-35068 [1,1,0,0,0,0|1,0,1]=4 927 B10R1.176 N#CC1=CC=C(O)C(O)=C1 AK-62493 [1,1,0,0,0,0|1,0,1]=4 928 B10R1.176 NC1=C(O)C=CC(=C1)C#N AK-33302 [1,1,0,0,0,0|1,0,1]=4 929 B10R1.176 O=C1C=C(CO)OC=C1O AK-84878 [1,1,0,0,0,0|1,0,1]=4 930 B10R1.176 O=CC1=CC=C(C)C(C)=C1 AK-88497 [1,1,0,0,0,0|1,0,0]=3 931 B10R1.176 O=CC1=CC=C(C)C(Cl)=C1 AK-61770 [1,1,0,0,0,0|1,0,0]=3 932 B10R1.176 O=CC1=CC=C(C)C(O)=C1 AK142786 [1,1,0,0,0,0|1,0,0]=3 933 B10R1.176 O=CC1=CC=C(Cl)C(Br)=C1 AK-36603 [1,1,0,0,0,0|1,0,0]=3 934 B10R1.176 O=CC1=CC=C(Cl)C(I)=C1 AK177782 [1,1,0,0,0,0|1,0,0]=3 935 B10R1.176 O=CC1=CC=C(Cl)C(O)=C1 AK-65100 [1,1,0,0,0,0|1,0,0]=3 936 B10R1.176 O=CC1=CC=C(F)C(Br)=C1 AK-29530 [1,1,0,0,0,0|1,0,0]=3 937 B10R1.176 O=CC1=CC=C(F)C(C)=C1 AK-28780 [1,1,0,0,0,0|1,0,0]=3 938 B10R1.176 O=CC1=CC=C(O)C(I)=C1 AK108364 [1,1,0,0,0,0|0,0,0]=2 939 B10R1.176 O=CC1=CN=C(Br)C(C)=C1 AK-62075 [1,1,0,0,0,0|2,0,0]=4 940 B10R1.176 O=CC1=NC(Br)=C(Cl)C=C1 AK152007 [1,1,0,0,0,0|2,0,0]=4 941 B10R1.176 O=CC1=NC(C)=C(Br)C=C1 AK-61562 [1,1,0,0,0,0|2,0,0]=4 942 B10R1.176 O=CC1=NC=C(Br)C(C)=C1 AK-80548 [1,1,0,0,0,0|2,0,0]=4 943 B10R1.176 O=CC1=NC=C(C)C(Br)=C1 AK137977 [1,1,0,0,0,0|2,0,0]=4 944 B10R1.176 OC1=C(Br)C=C(C=O)C=C1 AK-48127 [1,1,0,0,0,0|0,0,0]=2 945 B10R1.176 OC1=C(Br)C=CC(C=O)=C1 AK-89484 [1,1,0,0,0,0|1,0,0]=3 946 B10R1.176 OC1=C(Cl)C=C(C=C1)C#N AK-26962 [1,1,0,0,0,0|1,0,1]=4 947 B10R1.176 OC1=CC(CO)=CC=C1F AK270577 [1,1,0,0,0,0|1,0,1]=4 948 B10R1.176 OC1=CC(CO)=CC=C1I AK-84465 [1,1,0,0,0,0|1,0,1]=4 949 B10R1.176 OC1=CC=C(CO)C=C1C AK-98675 [1,1,0,0,0,0|0,0,1]=3 950 B10R1.176 OC1=CC=C(OC)C=C1Br AK-33686 [1,1,0,0,0,0|2,0,0]=4 951 B10R1.176 OC1=CC=C(OC)C=C1N AK-34044 [1,1,0,0,0,0|2,0,0]=4 952 B10R1.176 OCC1=CC=C(Br)C(C)=C1 AK-86221 [1,1,0,0,0,0|1,0,1]=4 953 B10R1.176 OCC1=CC=C(Br)C(F)=C1 AK-53787 [1,1,0,0,0,0|1,0,1]=4 954 B10R1.176 OCC1=CC=C(C)C(C)=C1 AK-79908 [1,1,0,0,0,0|1,0,1]=4 955 B10R1.176 OCC1=CC=C(F)C(F)=C1 AK-61983 [1,1,0,0,0,0|1,0,1]=4 956 B10R1.176 OCC1=CC=C(I)C(F)=C1 AK-94385 [1,1,0,0,0,0|1,0,1]=4 957 B10R1.15 C1=C(C(OC)=O)C=CN=C1 AK-46755 [1,1,0,0,0,0|1,0,0]=3 958 B10R1.15 C1=C(C(OC)=O)N=CC=C1 AK-46574 [1,1,0,0,0,0|1,0,0]=3 959 B10R1.15 C1=CC=NC=C1C(OC)=O AK-47410 [1,1,0,0,0,0|1,0,0]=3 960 B10R1.15 C1=NC=CN=C1C(OC)=O AK-47365 [1,1,0,0,0,0|2,0,0]=4 961 B10R1.15 N1=NC=C(C=C1)C(=O)OC AK-48857 [1,1,0,0,0,0|2,0,0]=4 962 B10R1.15 NCC(C1=CC=CC=C1)=O AK-26107 [1,1,0,0,0,0|1,0,0]=3 963 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 AK-45230 [1,1,0,0,0,0|1,0,1]=4 964 B10R1.15 NNC(=O)C1=CC=NC=C1 AK-46317 [1,1,0,0,0,0|2,0,0]=4 965 B10R1.15 NNC(C1=CC=CN=C1)=O AK-44810 [1,1,0,0,0,0|2,0,0]=4 966 B10R1.15 N[C@H](C1=CC=CC=C1)CO AK-41249 [1,1,0,0,0,0|1,0,1]=4 967 B10R1.15 O=C(C1=NC=CC=C1)CBr AK-44981 [1,1,0,0,0,0|2,0,0]=4 968 B10R1.15 O=C(C1=NC=CC=N1)OC AK-24352 [1,1,0,0,0,0|2,0,0]=4 969 B10R1.15 O=C(C1=NN=CC=C1)OC AK-68100 [1,1,0,0,0,0|2,0,0]=4 970 B10R1.15 O=C(NC)C1=CC=CC=C1 AK323662 [1,1,0,0,0,0|1,0,0]=3 971 B10R1.15 O=C(NN)C1=NC=CC=C1 AK117449 [1,1,0,0,0,0|2,0,0]=4 972 B10R1.15 O=CN(C)C1=CC=CC=C1 AK-48601 [1,1,0,0,0,0|2,0,0]=4 973 B10R1.15 O=S(C1=CC=CC=C1)OC AK109245 [1,1,0,0,0,0|1,0,0]=3 974 B10R1.15 OC(C1=CC=CC=C1)CBr AK-76552 [1,1,0,0,0,0|1,0,1]=4 975 B10R1.15 OC(C1=CC=CC=C1)CO AK117070 [1,1,0,0,0,0|0,0,2]=4 976 B10R1.15 OCC(=O)C1=CC=CC=C1 AK-94786 [1,1,0,0,0,0|0,0,0]=2 977 B10R1.15 OCC(N)C1=CC=CC=C1 AK-47370 [1,1,0,0,0,0|1,0,1]=4 978 B10R1.15 O[C@@H](C1=CC=CC=C1)CO AK-45210 [1,1,0,0,0,0|0,0,2]=4 979 B10R1.15 O[C@H](C1=CC=CC=C1)CO AK-33573 [1,1,0,0,0,0|0,0,2]=4 980 B10R1.15 [C@H](N)(C1=CC=CC=C1)CO AK-41260 [1,1,0,0,0,0|1,0,1]=4 981 B10R1.28 C1=C([S](O)(=O)=O)C=CC=C1 AK-51336 [1,1,0,0,0,0|1,0,0]=3 982 B10R1.28 O=S(C1=CC=CC=C1)(N)=O AK-77414 [1,1,0,0,0,0|1,0,1]=4 983 B10R1.28 O=S(C1=CC=CN=C1)(O)=O AK-47361 [1,1,0,0,0,0|2,0,0]=4 984 B10R1.61 BrC1=C(C(=O)N)C=CN=C1 AK-29834 [1,1,0,0,0,0|2,0,0]=4 985 B10R1.61 BrC1=C(C=CN=C1)C(=O)O AK-23517 [1,1,0,0,0,0|1,0,0]=3 986 B10R1.61 BrC1=CC=CN=C1C(=O)O AK-25745 [1,1,0,0,0,0|1,0,0]=3 987 B10R1.61 BrC1=CN=CN=C1C(=O)O AK-23815 [1,1,0,0,0,0|2,0,0]=4 988 B10R1.61 BrC1=NC=CN=C1C(=O)O AK-30736 [1,1,0,0,0,0|2,0,0]=4 989 B10R1.61 C1=C(C(=CC=C1)B(O)O)O AK-45876 [1,1,0,0,0,0|1,0,1]=4 990 B10R1.61 C1=C(C(=NC=C1)Cl)C(N)=O AK-39181 [1,1,0,0,0,0|2,0,0]=4 991 B10R1.61 C1=C(C(=NC=C1)Cl)C(O)=O AK-27015 [1,1,0,0,0,0|1,0,0]=3 992 B10R1.61 C1=C(C(=NC=C1)F)C(O)=O AK-25163 [1,1,0,0,0,0|1,0,0]=3 993 B10R1.61 C1=CC=CC(=C1B(O)O)Br AK-34317 [1,1,0,0,0,0|1,0,1]=4 994 B10R1.61 C1=CC=CC(=C1B(O)O)C AK-33581 [1,1,0,0,0,0|1,0,1]=4 995 B10R1.61 C1=CC=CC(=C1C(C)=O)Br AK-48030 [1,1,0,0,0,0|1,0,0]=3 996 B10R1.61 C1=CC=CC(=C1C(C)=O)N AK-27106 [1,1,0,0,0,0|1,0,0]=3 997 B10R1.61 C1=CC=CC(=C1C(O)=O)F AK-40433 [1,1,0,0,0,0|0,0,0]=2 998 B10R1.61 C1=CC=CC(=C1O)C(=O)C AK-44482 [1,1,0,0,0,0|1,0,0]=3 999 B10R1.61 C1=CC=NC(=C1C)C(O)=O AK-26613 [1,1,0,0,0,0|1,0,0]=3 1000 B10R1.61 C1=CN=C(C(=C1)C(=O)N)F AK-25200 [1,1,0,0,0,0|2,0,0]=4 1001 B10R1.61 C1=CN=C(C(=N1)C(O)=O)N AK-16902 [1,1,0,0,0,0|2,0,0]=4 1002 B10R1.61 C1=CN=CC(=C1C(=O)O)F AK-25903 [1,1,0,0,0,0|1,0,0]=3 1003 B10R1.61 C1=NC=CC(=C1C(O)=O)C AK-34679 [1,1,0,0,0,0|1,0,0]=3 1004 B10R1.61 CC(=O)C1=C(I)C=CC=C1 AK-84650 [1,1,0,0,0,0|1,0,0]=3 1005 B10R1.61 CC(=O)C1=CC=CN=C1F AK-36408 [1,1,0,0,0,0|2,0,0]=4 1006 B10R1.61 CC(=O)C1=CC=CN=C1N AK-61895 [1,1,0,0,0,0|2,0,0]=4 1007 B10R1.61 CC(=O)C1=NC=CC=C1F AK-36671 [1,1,0,0,0,0|2,0,0]=4 1008 B10R1.61 CC(C1=C(O)C=NC=C1)=O AK-68365 [1,1,0,0,0,0|2,0,0]=4 1009 B10R1.61 CC(C1=CC=CC=C1C)=O AK-76969 [1,1,0,0,0,0|1,0,0]=3 1010 B10R1.61 CC(C1=CC=CC=C1F)=O AK-44672 [1,1,0,0,0,0|1,0,0]=3 1011 B10R1.61 CC(C1=CC=CN=C1C)=O AK-60286 [1,1,0,0,0,0|2,0,0]=4 1012 B10R1.61 CC(C1=NC=CC=C1Br)=O AK-91392 [1,1,0,0,0,0|2,0,0]=4 1013 B10R1.61 CC(C1=NC=CC=C1Cl)=O AK128527 [1,1,0,0,0,0|2,0,0]=4 1014 B10R1.61 CC(C1=NC=CC=C1O)=O AK-57786 [1,1,0,0,0,0|2,0,0]=4 1015 B10R1.61 CC1=C(C(=O)N)C=CC=N1 AK-39636 [1,1,0,0,0,0|2,0,0]=4 1016 B10R1.61 CC1=C(C(=O)O)C=CC=N1 AK-25768 [1,1,0,0,0,0|1,0,0]=3 1017 B10R1.61 CC1=C(C=NC=N1)C(O)=O AK-32530 [1,1,0,0,0,0|2,0,0]=4 1018 B10R1.61 CC1=NC=CN=C1C(=O)O AK-25946 [1,1,0,0,0,0|2,0,0]=4 1019 B10R1.61 C[C@@H](O)C1=CC=CC=C1Cl AK-49059 [1,1,0,0,0,0|1,0,1]=4 1020 B10R1.61 C[C@H](O)C1=CC=CC=C1Cl AK-57726 [1,1,0,0,0,0|1,0,1]=4 1021 B10R1.61 C[C@H](O)C1=CC=CC=C1F AK114295 [1,1,0,0,0,0|1,0,1]=4 1022 B10R1.61 ClC1=C(C(=O)O)C=CN=C1 AK-26411 [1,1,0,0,0,0|1,0,0]=3 1023 B10R1.61 ClC1=C(C=CC=C1)B(O)O AK-34973 [1,1,0,0,0,0|1,0,1]=4 1024 B10R1.61 ClC1=CC=CN=C1C(=O)O AK-23699 [1,1,0,0,0,0|1,0,0]=3 1025 B10R1.61 ClC1=CC=NC=C1C(=O)O AK-25252 [1,1,0,0,0,0|1,0,0]=3 1026 B10R1.61 ClC1=NC=CN=C1C(=O)O AK-24100 [1,1,0,0,0,0|2,0,0]=4 1027 B10R1.61 FC1=C(C(=N)N)C=CC=C1 AK-16801-8 [1,1,0,0,0,0|2,0,0]=4 1028 B10R1.61 FC1=C(C=CN=C1)C(C)=O AK-37142 [1,1,0,0,0,0|2,0,0]=4 1029 B10R1.61 FC1=C(N=CC=C1)C(=O)O AK-28801 [1,1,0,0,0,0|1,0,0]=3 1030 B10R1.61 FC1=CC=CC=C1B(O)O AK-45733 [1,1,0,0,0,0|1,0,1]=4 1031 B10R1.61 NC1=C(C=CN=N1)C(=O)O AK-24603 [1,1,0,0,0,0|2,0,0]=4 1032 B10R1.61 NC1=C(C=NC=C1)C(=O)N AK-29493 [1,1,0,0,0,0|2,0,0]=4 1033 B10R1.61 NC1=C(C=NC=C1)C(O)=O AK-27731 [1,1,0,0,0,0|1,0,0]=3 1034 B10R1.61 NC1=CC=CC=C1B(O)O AK-77788 [1,1,0,0,0,0|1,0,1]=4 1035 B10R1.61 O=C(C1=CN=CN=C1N)O AK-34045 [1,1,0,0,0,0|2,0,0]=4 1036 B10R1.61 O=C(C1=CN=CNC1=O)O AK-39341 [1,1,0,0,0,0|2,0,0]=4 1037 B10R1.61 O=C(C1=NC=CC=C1N)O AK-25432 [1,1,0,0,0,0|1,0,0]=3 1038 B10R1.61 O=C(C1=NC=CN=C1I)O AK-30598 [1,1,0,0,0,0|2,0,0]=4 1039 B10R1.61 O=C(C1=NC=CNC1=O)O AK-30536 [1,1,0,0,0,0|2,0,0]=4 1040 B10R1.61 O=C(C1=NC=NC=C1C)O AK140920 [1,1,0,0,0,0|2,0,0]=4 1041 B10R1.61 O=C(N)C1=CC=CC=C1Br AK-47071 [1,1,0,0,0,0|1,0,0]=3 1042 B10R1.61 O=C(N)C1=CC=CC=C1Cl AK128986 [1,1,0,0,0,0|1,0,0]=3 1043 B10R1.61 O=C(N)C1=CC=CC=C1F AK161780 [1,1,0,0,0,0|1,0,0]=3 1044 B10R1.61 O=C(N)C1=CC=CC=C1I AK115884 [1,1,0,0,0,0|1,0,0]=3 1045 B10R1.61 O=C(N)C1=CC=CC=C1N AK109256 [1,1,0,0,0,0|1,0,0]=3 1046 B10R1.61 O=C(N)C1=CC=NC=C1C AK-29933 [1,1,0,0,0,0|2,0,0]=4 1047 B10R1.61 O=C(N)C1=CC=NC=C1N AK-77290 [1,1,0,0,0,0|2,0,0]=4 1048 B10R1.61 O=C(N)C1=NC=CC=C1C AK-48603 [1,1,0,0,0,0|2,0,0]=4 1049 B10R1.61 O=C(N)C1=NC=CC=C1N AK-35369 [1,1,0,0,0,0|2,0,0]=4 1050 B10R1.61 O=C(O)C1=C(N)N=CC=C1 AK-26982 [1,1,0,0,0,0|1,0,0]=3 1051 B10R1.61 O=C(O)C1=C(S)N=CC=C1 AK-48961 [1,1,0,0,0,0|1,0,0]=3 1052 B10R1.61 O=C(O)C1=CC=CC=C1Br AK-77301 [1,1,0,0,0,0|0,0,0]=2 1053 B10R1.61 O=C(O)C1=CC=CC=C1C AK116916 [1,1,0,0,0,0|0,0,0]=2 1054 B10R1.61 O=C(O)C1=CC=CC=C1Cl AK-44481 [1,1,0,0,0,0|0,0,0]=2 1055 B10R1.61 O=C(O)C1=CC=CC=C1I AK-73132 [1,1,0,0,0,0|0,0,0]=2 1056 B10R1.61 O=C(O)C1=CC=NC=C1C AK-30383 [1,1,0,0,0,0|1,0,0]=3 1057 B10R1.61 O=C(O)C1=CC=NC=C1N AK-23678 [1,1,0,0,0,0|1,0,0]=3 1058 B10R1.61 O=C(O)C1=CC=NC=C1O AK-23523 [1,1,0,0,0,0|1,0,0]=3 1059 B10R1.61 O=C(O)C1=CN=CC=C1Br AK-25100 [1,1,0,0,0,0|1,0,0]=3 1060 B10R1.61 O=C(O)C1=CN=CC=C1C AK-75600 [1,1,0,0,0,0|1,0,0]=3 1061 B10R1.61 O=C(O)C1=NC=CC=C1I AK-29488 [1,1,0,0,0,0|1,0,0]=3 1062 B10R1.61 O=C(O)C1=NC=CC=C1O AK-26380 [1,1,0,0,0,0|1,0,0]=3 1063 B10R1.61 O=C1C(=CC=CN1)C(O)=O AK-47329 [1,1,0,0,0,0|1,0,0]=3 1064 B10R1.61 O=C1C(=CNC=C1)C(=O)O AK-26174 [1,1,0,0,0,0|1,0,0]=3 1065 B10R1.61 O=C1C(C(C)=O)=CC=CN1 AK-35911 [1,1,0,0,0,0|2,0,0]=4 1066 B10R1.61 O=C1C(C(C)=O)=CNC=C1 AK501394 [1,1,0,0,0,0|2,0,0]=4 1067 B10R1.61 OB(C1=CC=CC=C1N)O AK-35638 [1,1,0,0,0,0|1,0,1]=4 1068 B10R1.61 OC(=O)C1=CC=CN=C1Br AK-25846 [1,1,0,0,0,0|1,0,0]=3 1069 B10R1.61 OC(=O)C1=CC=NNC1=O AK-89567 [1,1,0,0,0,0|2,0,0]=4 1070 B10R1.61 OC1=CC=CC=C1C(N)=O AK-81394 [1,1,0,0,0,0|1,0,0]=3 1071 B10R1.61 OC1=CC=CC=C1C(O)=O AK397674 [1,1,0,0,0,0|0,0,0]=2 1072 B10R1.61 [O-]C1=CC=CC=C1[N+]([O-])=O AK135512 [1,1,0,0,0,0|1,0,1]=4 1073 B10R1.113 C(C)(=O)C1=CC(=CN=C1)Br AK-25899 [1,1,0,0,0,0|2,0,0]=4 1074 B10R1.113 C(C)(=O)C1=CC(=NC=C1)C AK-26955 [1,1,0,0,0,0|2,0,0]=4 1075 B10R1.113 C(C)(=O)C1=NC(=CC=C1)Br AK-30565 [1,1,0,0,0,0|2,0,0]=4 1076 B10R1.113 C1=C(C(C)=O)C=C(C=C1)O AK-46681 [1,1,0,0,0,0|1,0,0]=3 1077 B10R1.113 C1=C(C=C(N=C1)N)C(=O)O AK-25375 [1,1,0,0,0,0|1,0,0]=3 1078 B10R1.113 C1=C(C=CC=C1Br)B(O)O AK-23693 [1,1,0,0,0,0|1,0,1]=4 1079 B10R1.113 C1=C(C=CC=C1Cl)C(O)=O AK-43975 [1,1,0,0,0,0|0,0,0]=2 1080 B10R1.113 C1=C(C=CC=C1F)C(O)=O AK-53854 [1,1,0,0,0,0|0,0,0]=2 1081 B10R1.113 C1=C(C=NC=C1Br)C(N)=O AK-34529 [1,1,0,0,0,0|2,0,0]=4 1082 B10R1.113 C1=C(C=NC=C1C(O)=O)F AK-25931 [1,1,0,0,0,0|1,0,0]=3 1083 B10R1.113 C1=C(C=NC=C1C)C(O)=O AK-23837 [1,1,0,0,0,0|1,0,0]=3 1084 B10R1.113 C1=C(C=NC=C1Cl)C(O)=O AK-25160 [1,1,0,0,0,0|1,0,0]=3 1085 B10R1.113 C1=CC=C(F)N=C1C(=O)O AK-30385 [1,1,0,0,0,0|1,0,0]=3 1086 B10R1.113 C1=CC=C(N=C1C(O)=O)C AK-27736 [1,1,0,0,0,0|1,0,0]=3 1087 B10R1.113 C1=NC=C(C=C1C(=O)N)N AK-26169 [1,1,0,0,0,0|2,0,0]=4 1088 B10R1.113 C1=NC=C(Cl)N=C1C(=O)O AK-27777 [1,1,0,0,0,0|2,0,0]=4 1089 B10R1.113 C1=NC=C(N=C1C(=O)O)C AK-26120 [1,1,0,0,0,0|2,0,0]=4 1090 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 AK-34279 [1,1,0,0,0,0|2,0,0]=4 1091 B10R1.113 CC(C1=CC(F)=CN=C1)=O AK101043 [1,1,0,0,0,0|2,0,0]=4 1092 B10R1.113 CC(C1=CC(N)=NC=C1)=O AK134215 [1,1,0,0,0,0|2,0,0]=4 1093 B10R1.113 CC(C1=CC=CC(Br)=C1)=O AK-44590 [1,1,0,0,0,0|1,0,0]=3 1094 B10R1.113 CC(C1=CC=CC(C)=C1)=O AK143347 [1,1,0,0,0,0|1,0,0]=3 1095 B10R1.113 CC(C1=NC(Cl)=CC=C1)=O AK-29671 [1,1,0,0,0,0|2,0,0]=4 1096 B10R1.113 CC(C1=NC(F)=CC=C1)=O AK-74181 [1,1,0,0,0,0|2,0,0]=4 1097 B10R1.113 CC(C1=NC=CC(C)=C1)=O AK-61872 [1,1,0,0,0,0|2,0,0]=4 1098 B10R1.113 CC(C1=NC=CC(Cl)=C1)=O AK-30041 [1,1,0,0,0,0|2,0,0]=4 1099 B10R1.113 CC1=CC(B(O)O)=CC=C1 AK-41078 [1,1,0,0,0,0|1,0,1]=4 1100 B10R1.113 CC1=CC=CC(=C1)C(N)=N AK-45199 [1,1,0,0,0,0|2,0,0]=4 1101 B10R1.113 CC1=CC=CC(C(C)=O)=N1 AK-30134 [1,1,0,0,0,0|2,0,0]=4 1102 B10R1.113 CC1=CC=NC(=C1)C(=O)O AK-30381 [1,1,0,0,0,0|1,0,0]=3 1103 B10R1.113 CC1=CC=NC(=N1)C(O)=O AK-36910 [1,1,0,0,0,0|2,0,0]=4 1104 B10R1.113 CC1=NC=CC(=N1)C(=O)O AK-23648 [1,1,0,0,0,0|2,0,0]=4 1105 B10R1.113 C[C@@H](O)C1=CC=CC(Cl)=C1 AK103057 [1,1,0,0,0,0|1,0,1]=4 1106 B10R1.113 C[C@H](O)C1=CC=CC(Br)=C1 AK-58281 [1,1,0,0,0,0|1,0,1]=4 1107 B10R1.113 ClC1=CC=CC(=C1)B(O)O AK-47360 [1,1,0,0,0,0|1,0,1]=4 1108 B10R1.113 ClC1=NC=CC(=N1)C(=O)O AK-28365 [1,1,0,0,0,0|2,0,0]=4 1109 B10R1.113 FC1=CC(B(O)O)=CC=C1 AK-45904 [1,1,0,0,0,0|1,0,1]=4 1110 B10R1.113 IC1=CC=CC(=C1)B(O)O AK-45910 [1,1,0,0,0,0|1,0,1]=4 1111 B10R1.113 N=C(N)C1=CC=CC(Br)=C1 AK-16801-7 [1,1,0,0,0,0|2,0,0]=4 1112 B10R1.113 NC1=CC(C(C)=O)=CC=C1 AK-83273 [1,1,0,0,0,0|1,0,0]=3 1113 B10R1.113 NC1=CC=NC(=C1)C(=O)O AK-72771 [1,1,0,0,0,0|1,0,0]=3 1114 B10R1.113 NC1=CN=CC(=C1)C(O)=O AK-34306 [1,1,0,0,0,0|1,0,0]=3 1115 B10R1.113 NC1=CN=CC(=N1)C(=O)O AK-30537 [1,1,0,0,0,0|2,0,0]=4 1116 B10R1.113 O=C(C1=CC(=O)N=CN1)O AK-24985 [1,1,0,0,0,0|2,0,0]=4 1117 B10R1.113 O=C(C1=CC=CC(Cl)=N1)O AK-26005 [1,1,0,0,0,0|1,0,0]=3 1118 B10R1.113 O=C(C1=CC=CC(N1)=O)O AK-25557 [1,1,0,0,0,0|1,0,0]=3 1119 B10R1.113 O=C(C1=NC(Br)=CN=C1)O AK158200 [1,1,0,0,0,0|2,0,0]=4 1120 B10R1.113 O=C(C1=NC(Br)=NC=C1)O AK145986 [1,1,0,0,0,0|2,0,0]=4 1121 B10R1.113 O=C(C1=NC(N)=NC=C1)O AK-65335 [1,1,0,0,0,0|2,0,0]=4 1122 B10R1.113 O=C(C1=NC=CC(Br)=C1)O AK-23753 [1,1,0,0,0,0|1,0,0]=3 1123 B10R1.113 O=C(C1=NC=NC(C)=C1)O AK114394 [1,1,0,0,0,0|2,0,0]=4 1124 B10R1.113 O=C(C1=NN=CC(Cl)=C1)O AK398901 [1,1,0,0,0,0|2,0,0]=4 1125 B10R1.113 O=C(C=1C=CNC(C1)=O)O AK-75663 [1,1,0,0,0,0|1,0,0]=3 1126 B10R1.113 O=C(C=1C=CNC(C1)=S)O AK161760 [1,1,0,0,0,0|1,0,0]=3 1127 B10R1.113 O=C(N)C1=CC=CC(Br)=C1 AK-61366 [1,1,0,0,0,0|1,0,0]=3 1128 B10R1.113 O=C(N)C1=NC=CC(N)=C1 AK103735 [1,1,0,0,0,0|2,0,0]=4 1129 B10R1.113 O=C(O)C1=CC=CC(Br)=C1 AK-77039 [1,1,0,0,0,0|0,0,0]=2 1130 B10R1.113 O=C(O)C1=CC=CC(C)=C1 AK116994 [1,1,0,0,0,0|0,0,0]=2 1131 B10R1.113 O=C(O)C1=CC=CC(I)=C1 AK-40488 [1,1,0,0,0,0|0,0,0]=2 1132 B10R1.113 O=C(O)C1=CC=CC(N)=C1 AK-41177 [1,1,0,0,0,0|0,0,0]=2 1133 B10R1.113 O=C(O)C1=CC=CC(O)=C1 AK-50288 [1,1,0,0,0,0|0,0,0]=2 1134 B10R1.113 O=C(O)C1=CC=NC(Br)=C1 AK-26241 [1,1,0,0,0,0|1,0,0]=3 1135 B10R1.113 O=C(O)C1=CC=NC(C)=C1 AK-23516 [1,1,0,0,0,0|1,0,0]=3 1136 B10R1.113 O=C(O)C1=CC=NC(O)=C1 AK-27187 [1,1,0,0,0,0|1,0,0]=3 1137 B10R1.113 O=C(O)C1=CN=CC(Br)=C1 AK-25583 [1,1,0,0,0,0|1,0,0]=3 1138 B10R1.113 O=C(O)C1=CN=CC(I)=C1 AK-28811 [1,1,0,0,0,0|1,0,0]=3 1139 B10R1.113 O=C(O)C1=CN=CC(O)=C1 AK-25698 [1,1,0,0,0,0|1,0,0]=3 1140 B10R1.113 O=C(O)C1=NC=CC(Cl)=C1 AK-23768 [1,1,0,0,0,0|1,0,0]=3 1141 B10R1.113 O=C(O)C1=NC=CC(I)=C1 AK-30405 [1,1,0,0,0,0|1,0,0]=3 1142 B10R1.113 O=C1NC(=CC=N1)C(=O)O AK-30175 [1,1,0,0,0,0|2,0,0]=4 1143 B10R1.113 O=C1NN=CC(=C1)C(=O)O AK-26372 [1,1,0,0,0,0|2,0,0]=4 1144 B10R1.113 OB(C1=CC=CC(N)=C1)O AK-27034 [1,1,0,0,0,0|1,0,1]=4 1145 B10R1.113 OB(C1=CC=CC(N)=C1)O AK-43360 [1,1,0,0,0,0|1,0,1]=4 1146 B10R1.113 OB(C1=CC=CC(N)=C1)O AK-44816 [1,1,0,0,0,0|1,0,1]=4 1147 B10R1.113 OB(C1=CC=CC(O)=C1)O AK-44803 [1,1,0,0,0,0|1,0,1]=4 1148 B10R1.113 OC(=O)C1=CC(Cl)=NC=C1 AK-26209 [1,1,0,0,0,0|1,0,0]=3 1149 B10R1.113 OC(=O)C1=CC(F)=NC=C1 AK-25930 [1,1,0,0,0,0|1,0,0]=3 1150 B10R1.113 OC(=O)C1=NC(Br)=CC=C1 AK-25597 [1,1,0,0,0,0|1,0,0]=3 1151 B10R1.113 OC(=O)C1=NC=NC(Cl)=C1 AK-29233 [1,1,0,0,0,0|2,0,0]=4 1152 B10R1.14 C1=C(SC=C1N)C(OC)=O AK-36782 [0,1,0,0,1,0|2,0,0]=4 1153 B10R1.14 COC(=O)C1=CC(=CO1)Br AK-39920 [0,1,0,0,1,0|2,0,0]=4 1154 B10R1.14 COC(=O)C1=CC(Br)=CN1 AK-23914 [0,1,0,0,1,0|2,0,0]=4 1155 B10R1.14 COC(=O)C1=CC(Br)=CS1 AK-55210 [0,1,0,0,1,0|2,0,0]=4 1156 B10R1.14 COC(=O)C1=CNC(Br)=C1 AK-63235 [0,1,0,0,1,0|2,0,0]=4 1157 B10R1.14 COC(=O)C1=COC(C)=C1 AK-28257 [0,1,0,0,1,0|2,0,0]=4 1158 B10R1.14 O=C(C1=CC=C(Br)N1)OC AK-47142 [0,1,0,0,1,0|2,0,0]=4 1159 B10R1.14 O=C(C1=CC=C(Br)O1)OC AK-43914 [0,1,0,0,1,0|2,0,0]=4 1160 B10R1.14 O=C(C1=CC=C(Br)S1)OC AK-40321 [0,1,0,0,1,0|2,0,0]=4 1161 B10R1.14 O=C(C1=CC=C(C)O1)OC AK124407 [0,1,0,0,1,0|2,0,0]=4 1162 B10R1.14 O=C(C1=CC=C(N)S1)OC AK-40138 [0,1,0,0,1,0|2,0,0]=4 1163 B10R1.14 O=C(C1=CSC(Br)=C1)OC AK138265 [0,1,0,0,1,0|2,0,0]=4 1164 B10R1.14 O=C(C1=NNC(O)=C1)OC AK-77271 [0,1,0,0,1,0|2,0,0]=4 1165 B10R1.31 C1=C(OC(=C1)CO)C(=O)O AK-26213 [0,1,0,0,1,0|1,0,0]=3 1166 B10R1.31 CSC1=CC=C(S1)C(O)=O AK-34056 [0,1,0,0,1,0|1,1,0]=4 1167 B10R1.31 O=C(C1=CC(C#N)=CO1)O AK-42021 [0,1,0,0,1,0|2,0,0]=4 1168 B10R1.31 O=C(C1=CC=C(C=O)O1)O AK-58389 [0,1,0,0,1,0|1,0,1]=4 1169 B10R1.31 O=C(C1=CC=C(C=O)S1)O AK-35246 [0,1,0,0,1,0|1,0,1]=4 1170 B10R1.31 O=C(C1=NC=C(OC)O1)O AK139150 [0,1,0,0,1,0|2,0,0]=4 1171 B10R1.31 OC(=O)C1=CC=C(O1)C#N AK-40423 [0,1,0,0,1,0|2,0,0]=4 1172 B10R1.58 O=C(C1=CC(Br)=C(Cl)S1)O AK127057 [0,1,0,0,1,0|2,0,0]=4 1173 B10R1.58 O=C(C1=CC(Cl)=C(Br)S1)O AK127116 [0,1,0,0,1,0|2,0,0]=4 1174 B10R1.58 O=C(C1=CC(Cl)=C(Cl)S1)O AK-76939 [0,1,0,0,1,0|2,0,0]=4 1175 B10R1.58 O=C(C1=CC(N)=C(Br)S1)O AK-30179 [0,1,0,0,1,0|2,0,0]=4 1176 B10R1.58 O=C(C1=NN(C)C(O)=C1)O AK-81704 [0,1,0,0,1,0|2,0,0]=4 1177 B10R1.58 OC(=O)C1=CC(Br)=C(Br)S1 AK-82334 [0,1,0,0,1,0|2,0,0]=4 1178 B10R1.59 O=C(C1=C(Br)C=C(Cl)S1)O AK156001 [0,1,0,0,1,0|2,0,0]=4 1179 B10R1.59 O=C(C1=C(Br)SC(Br)=C1)O AK-64336 [0,1,0,0,1,0|2,0,0]=4 1180 B10R1.59 O=C(C1=C(Cl)SC(Cl)=C1)O AK-34842 [0,1,0,0,1,0|2,0,0]=4 1181 B10R1.59 O=C(C1=CC(Br)=CN1C)O AK101071 [0,1,0,0,1,0|2,0,0]=4 1182 B10R1.59 OC1=NC(=C(S1)C(=O)O)C AK-32105 [0,1,0,0,1,0|2,0,0]=4 1183 B10R1.194 O=C(C1=C(C)C(C)=CS1)O AK-36791 [0,1,0,0,1,0|2,0,0]=4 1184 B10R1.194 O=C(C1=C(C)N(C)C=C1)O AK164868 [0,1,0,0,1,0|2,0,0]=4 1185 B10R1.194 O=C(C1=CC=C(Br)N1C)O AK-36608 [0,1,0,0,1,0|2,0,0]=4 1186 B10R1.194 O=C(C1=CSC(C)=C1N)O AK161687 [0,1,0,0,1,0|2,0,0]=4 1187 B12R1.4 C1=C(CC(C)=O)C=CC(=C1)OC AK-43869 [0,1,0,0,0,1|1,0,0]=3 1188 B12R1.4 C1=CC(=CC=C1OC)CC(O)=O AK-47564 [0,1,0,0,0,1|0,0,0]=2 1189 B12R1.4 CC(NC1=CC=C(C#N)C=C1)=O AK-80147 [0,1,0,0,0,1|2,0,0]=4 1190 B12R1.4 CC(NC1=CC=C(C=O)C=C1)=O AK-46288 [0,1,0,0,0,1|1,0,1]=4 1191 B12R1.4 CC(NC1=CC=C(CN)C=C1)=O AK144131 [0,1,0,0,0,1|2,0,0]=4 1192 B12R1.4 CC(OC1=CC=C(CBr)C=C1)=O AK146329 [0,1,0,0,0,1|2,0,0]=4 1193 B12R1.4 O=C(O)CC1=CC=C(C#N)C=C1 AK-59632 [0,1,0,0,0,1|1,0,0]=3 1194 B12R1.4 O=C(O)CC1=CC=C(CN)C=C1 AK-93749 [0,1,0,0,0,1|1,0,0]=3 1195 B12R1.4 O=C(O)CC1=CC=C(CO)C=C1 AK135016 [0,1,0,0,0,1|0,0,0]=2 1196 B12R1.4 O=C(O)CC1=CC=C(SC)C=C1 AK-45539 [0,1,0,0,0,1|0,1,0]=3 1197 B12R1.19 BrC1=C(C=C(C=C1)CC(=O)O)F AK-36941 [0,1,0,0,0,1|1,0,0]=3 1198 B12R1.19 BrC1=C(C=CC(=C1)CC(=O)O)F AK-33922 [0,1,0,0,0,1|1,0,0]=3 1199 B12R1.19 C1=C(C=CC(=C1Cl)Cl)CC(O)=O AK-47326 [0,1,0,0,0,1|1,0,0]=3 1200 B12R1.19 C1=C(C=CC(=C1Cl)Cl)NC(N)=O AK-32560 [0,1,0,0,0,1|2,0,0]=4 1201 B12R1.19 C1=C(C=CC(=C1Cl)O)NC(C)=O AK-39312 [0,1,0,0,0,1|1,0,0]=3 1202 B12R1.19 CC(NC1=CC=C(O)C(C)=C1)=O AK147875 [0,1,0,0,0,1|1,0,0]=3 1203 B12R1.19 CC1=C(F)C=C(CC(O)=O)C=C1 AK-34427 [0,1,0,0,0,1|1,0,0]=3 1204 B12R1.19 NC1=C(F)C=C(CC(O)=O)C=C1 AK-35348 [0,1,0,0,0,1|1,0,0]=3 1205 B12R1.19 O=C(O)CC1=CC=C(Br)C(C)=C1 AK-94397 [0,1,0,0,0,1|1,0,0]=3 1206 B12R1.19 O=C(O)CC1=CC=C(Cl)C(Br)=C1 AK119698 [0,1,0,0,0,1|1,0,0]=3 1207 B12R1.19 O=C(O)CC1=CC=C(Cl)C(F)=C1 AK-39619 [0,1,0,0,0,1|1,0,0]=3 1208 B12R1.19 O=C(O)CC1=CC=C(N)C(C)=C1 AK151433 [0,1,0,0,0,1|1,0,0]=3 1209 B12R1.19 O=C(O)CC1=CC=C(O)C(F)=C1 AK-35250 [0,1,0,0,0,1|0,0,0]=2 1210 B12R1.19 O=C(O)CC1=CC=C(O)C(O)=C1 AK-45471 [0,1,0,0,0,1|0,0,0]=2 1211 B12R1.19 OC(=O)CC1=CC(Br)=C(O)C=C1 AK-34961 [0,1,0,0,0,1|0,0,0]=2 1212 B12R1.19 OC(=O)CC1=CC(F)=C(F)C=C1 AK-41956 [0,1,0,0,0,1|1,0,0]=3 1213 B12R1.20 CC(C1=CC=C(C)C=C1)C(O)=O AK-36931 [0,1,0,0,0,1|1,0,0]=3 1214 B12R1.20 NC(C(=O)O)C1=CC=C(C=C1)Br AK-36176 [0,1,0,0,0,1|1,0,0]=3 1215 B12R1.20 NC(C(O)=O)C1=CC=C(O)C=C1 AK-44146 [0,1,0,0,0,1|0,0,0]=2 1216 B12R1.20 O=C(O)C(N)C1=CC=C(C)C=C1 AK-44517 [0,1,0,0,0,1|1,0,0]=3 1217 B12R1.20 O=C(O)C(N)C1=CC=C(Cl)C=C1 AK-47447 [0,1,0,0,0,1|1,0,0]=3 1218 B12R1.20 O=C(O)C(O)C1=CC=C(O)C=C1 AK-88708 [0,1,0,0,0,1|0,0,0]=2 1219 B12R1.20 O=C(O)[C@@H](N)C1=CC=C(Cl)C=C1 AK-45149 [0,1,0,0,0,1|1,0,0]=3 1220 B12R1.20 O=C(O)[C@@H](N)C1=CC=C(F)C=C1 AK-33958 [0,1,0,0,0,1|1,0,0]=3 1221 B12R1.20 O=C(O)[C@@H](N)C1=CC=C(O)C=C1 AK-28583 [0,1,0,0,0,1|0,0,0]=2 1222 B12R1.20 O=C(O)[C@H](C1=CC=C(Cl)C=C1)O AK-87117 [0,1,0,0,0,1|1,0,0]=3 1223 B12R1.20 O=C(O)[C@H](N)C1=CC=C(Cl)C=C1 AK-44673 [0,1,0,0,0,1|1,0,0]=3 1224 B12R1.20 O=C(O)[C@H](N)C1=CC=C(F)C=C1 AK-45454 [0,1,0,0,0,1|1,0,0]=3 1225 B12R1.20 O=C(O)[C@H](N)C1=CC=C(F)C=C1 AK-50779 [0,1,0,0,0,1|1,0,0]=3 1226 B12R1.20 O=C(O)[C@H](N)C1=CC=C(N)C=C1 AK484894 [0,1,0,0,0,1|1,0,0]=3 1227 B12R1.20 O=C(O)[C@H](N)C1=CC=C(O)C=C1 AK-76523 [0,1,0,0,0,1|0,0,0]=2 1228 B12R1.20 OC(C([O-])=O)C1=CC=C(O)C=C1 AK104635 [0,1,0,0,0,1|0,0,1]=3 1229 B12R1.49 C1=C(CC(OC)=O)C=CC(=C1)Br AK-25954 [0,1,0,0,0,1|1,0,0]=3 1230 B12R1.49 C1=C(CC(OC)=O)C=CC(=C1)O AK-46608 [0,1,0,0,0,1|0,0,0]=2 1231 B12R1.49 O=C(OC)CC1=CC=C(Cl)C=C1 AK-46979 [0,1,0,0,0,1|1,0,0]=3 1232 B12R1.49 O=C(OC)CC1=CC=C(Cl)N=C1 AK137274 [0,1,0,0,0,1|2,0,0]=4 1233 B12R1.49 O=C(OC)CC1=CC=C(F)C=C1 AK117500 [0,1,0,0,0,1|1,0,0]=3 1234 B12R1.49 O=C(OC)CC1=NC=C(Br)C=C1 AK144847 [0,1,0,0,0,1|2,0,0]=4 1235 B12R1.49 OC1=CC=C(C[C@H](N)CO)C=C1 AK109460 [0,1,0,0,0,1|1,0,1]=4 1236 B12R1.106 O=P([O-])([O-])OC1=CC=C(O)C=C1 AK127263 [0,1,0,0,0,1|1,0,1]=4 1237 B12R1.233 BrC1=C(C=CC(=C1)F)CC(=O)O AK-35843 [0,1,0,0,0,1|1,0,0]=3 1238 B12R1.233 C1=C(C(=CC=C1Cl)CC(O)=O)Cl AK-46751 [0,1,0,0,0,1|1,0,0]=3 1239 B12R1.233 CC(=O)CC1=C(Br)C=C(Cl)C=C1 AK101124 [0,1,0,0,0,1|2,0,0]=4 1240 B12R1.233 CC(NC1=CC=C(Br)C=C1Cl)=O AK499528 [0,1,0,0,0,1|2,0,0]=4 1241 B12R1.233 CC1=CC(F)=C(CC(O)=O)C=C1 AK-35440 [0,1,0,0,0,1|1,0,0]=3 1242 B12R1.233 FC1=C(C=CC(=C1)O)CC(=O)O AK-36113 [0,1,0,0,0,1|0,0,0]=2 1243 B12R1.233 NC1=CC(=CN=C1CC(=O)O)Br AK-26406 [0,1,0,0,0,1|2,0,0]=4 1244 B12R1.233 O=C(O)CC1=CC=C(Br)C=C1Cl AK-94393 [0,1,0,0,0,1|1,0,0]=3 1245 B12R1.233 O=C(O)CC1=CC=C(Br)C=C1F AK-29792 [0,1,0,0,0,1|1,0,0]=3 1246 B12R1.233 O=C(O)CC1=CC=C(Cl)C=C1Br AK-35501 [0,1,0,0,0,1|1,0,0]=3 1247 B12R1.233 O=C(O)CC1=CC=C(F)C=C1C AK-37488 [0,1,0,0,0,1|1,0,0]=3 1248 B12R1.233 O=C(O)CC1=CC=C(F)C=C1Cl AK-33766 [0,1,0,0,0,1|1,0,0]=3 1249 B12R1.233 OC(=O)CC1=C(F)C=C(Cl)C=C1 AK-46377 [0,1,0,0,0,1|1,0,0]=3 1250 B12R1.5 C(=O)C1=NC=C(C(=O)OC)C=C1 AK-30222 [0,2,0,0,0,0|1,0,1]=4 1251 B12R1.5 C(C)C1=CC=C(C=C1)C(=O)C=O AK-10028 [0,2,0,0,0,0|1,0,1]=4 1252 B12R1.5 C1=C(C(OC)=O)C=CC(=C1)C=O AK-30551 [0,2,0,0,0,0|0,0,1]=3 1253 B12R1.5 C1=CC(=CC=C1C(OC)=O)C#N AK-46102 [0,2,0,0,0,0|1,0,0]=3 1254 B12R1.5 C1=CC(=CC=C1OC)C(OC)=O AK-46595 [0,2,0,0,0,0|0,0,0]=2 1255 B12R1.5 CCC(C1=CC=C(CC)C=C1)=O AK-94191 [0,2,0,0,0,0|2,0,0]=4 1256 B12R1.5 CCC1=CC=C(C=C1)C(=O)CBr AK110622 [0,2,0,0,0,0|2,0,0]=4 1257 B12R1.5 COC(=O)C1=CC=C(CCl)C=C1 AK-46926 [0,2,0,0,0,0|1,0,0]=3 1258 B12R1.5 COC(=O)C1=CN=C(CBr)C=C1 AK-49350 [0,2,0,0,0,0|2,0,0]=4 1259 B12R1.5 COC(C1=CN=C(C=C1)CO)=O AK-23866 [0,2,0,0,0,0|1,0,0]=3 1260 B12R1.5 COC1=CC=C(C(CBr)=O)C=C1 AK114282 [0,2,0,0,0,0|1,0,0]=3 1261 B12R1.5 COC1=CC=C(C(N)CO)C=C1 AK668329 [0,2,0,0,0,0|1,0,1]=4 1262 B12R1.5 COC1=CC=C([C@@H](N)CO)C=C1 AK548216 [0,2,0,0,0,0|1,0,1]=4 1263 B12R1.5 N=C(NO)C1=NC=C(OC)C=C1 AK-77054 [0,2,0,0,0,0|2,0,0]=4 1264 B12R1.5 O=C(NC)C1=CC=C(OC)C=C1 AK120611 [0,2,0,0,0,0|1,0,0]=3 1265 B12R1.5 O=C(NN)C1=CC=C(C#N)C=C1 AK-92904 [0,2,0,0,0,0|2,0,0]=4 1266 B12R1.5 O=C(OC)C1=CC=C(C#C)C=C1 AK-88481 [0,2,0,0,0,0|1,0,0]=3 1267 B12R1.5 O=C(OC)C1=CC=C(CN)C=C1 AK-46915 [0,2,0,0,0,0|1,0,0]=3 1268 B12R1.5 O=C(OC)C1=CC=C(NN)C=C1 AK165897 [0,2,0,0,0,0|1,0,0]=3 1269 B12R1.5 O=C(OC)C1=CN=C(C#C)C=C1 AK151766 [0,2,0,0,0,0|2,0,0]=4 1270 B12R1.5 O=C(OC)C1=CN=C(OC)C=C1 AK-29959 [0,2,0,0,0,0|1,0,0]=3 1271 B12R1.5 O=C(OC)C1=NC=C(CBr)C=C1 AK153186 [0,2,0,0,0,0|2,0,0]=4 1272 B12R1.5 OCC(N)C1=CC=C(OC)C=C1 AK200151 [0,2,0,0,0,0|1,0,1]=4 1273 B12R1.48 C(#N)C1=C(C=C(C(=O)O)C=C1)C AK-54802 [0,2,0,0,0,0|1,0,0]=3 1274 B12R1.48 C(#N)C1=C(C=C(C(=O)O)C=C1)F AK-33745 [0,2,0,0,0,0|1,0,0]=3 1275 B12R1.48 C1=C(C(=CC=C1C(C)=O)OC)O AK-50384 [0,2,0,0,0,0|1,0,0]=3 1276 B12R1.48 C1=C(N)C(=CC=C1[N+]([O-])=O)CO AK-16609 [0,2,0,0,0,0|1,0,1]=4 1277 B12R1.48 CC(C1=CC=C(OC)C(Br)=C1)=O AK-24248 [0,2,0,0,0,0|1,0,0]=3 1278 B12R1.48 CC(C1=CC=C(OC)C(C)=C1)=O AK-68223 [0,2,0,0,0,0|1,0,0]=3 1279 B12R1.48 COC1=C(C)C=C(C=C1)B(O)O AK-33740 [0,2,0,0,0,0|1,0,1]=4 1280 B12R1.48 COC1=C(C)C=C(C=C1)[N+]([O-])=O AK-79406 [0,2,0,0,0,0|1,0,1]=4 1281 B12R1.48 COC1=C(Cl)C=C(C=C1)B(O)O AK-75737 [0,2,0,0,0,0|1,0,1]=4 1282 B12R1.48 COC1=C(Cl)C=C(C=C1)C(O)=O AK-79135 [0,2,0,0,0,0|0,0,0]=2 1283 B12R1.48 COC1=C(I)C=C(C=C1)[N+]([O-])=O AK-32591 [0,2,0,0,0,0|1,0,1]=4 1284 B12R1.48 COC1=CC=C([N+]([O-])=O)C=C1Cl AK-35314 [0,2,0,0,0,0|1,0,1]=4 1285 B12R1.48 O=C(N)C1=CC=C(OC)C(N)=C1 AK-63939 [0,2,0,0,0,0|1,0,0]=3 1286 B12R1.48 O=C(O)C1=CC=C(C#N)C(Cl)=C1 AK608481 [0,2,0,0,0,0|1,0,0]=3 1287 B12R1.48 O=C(O)C1=CC=C(C#N)C(N)=C1 AK200894 [0,2,0,0,0,0|1,0,0]=3 1288 B12R1.48 O=C(O)C1=CC=C(C=O)C(O)=C1 AK-30254 [0,2,0,0,0,0|0,0,1]=3 1289 B12R1.48 O=C(O)C1=CC=C(CC)C(Br)=C1 AK-93351 [0,2,0,0,0,0|1,0,0]=3 1290 B12R1.48 O=C(O)C1=CC=C(CC)C(N)=C1 AK-35408 [0,2,0,0,0,0|1,0,0]=3 1291 B12R1.48 O=C(O)C1=CC=C(NC)C(N)=C1 AK-36039 [0,2,0,0,0,0|1,0,0]=3 1292 B12R1.48 O=C(O)C1=CC=C(OC)C(C)=C1 AK-32602 [0,2,0,0,0,0|0,0,0]=2 1293 B12R1.48 O=C(O)C1=CC=C(OC)C(O)=C1 AK-72971 [0,2,0,0,0,0|0,0,0]=2 1294 B12R1.48 O=C(O)C1=CN=C(OC)C(Br)=C1 AK151001 [0,2,0,0,0,0|1,0,0]=3 1295 B12R1.48 O=C(O)C1=CN=C(OC)C(F)=C1 AK100002 [0,2,0,0,0,0|1,0,0]=3 1296 B12R1.48 O=C(O)C1=NC(Cl)=C(C#N)C=C1 AK127173 [0,2,0,0,0,0|2,0,0]=4 1297 B12R1.48 O=[N+](C1=CC=C(OC)C(Br)=C1)[O-] AK-79112 [0,2,0,0,0,0|1,0,1]=4 1298 B12R1.48 O=[N+](C1=CC=C(OC)C(F)=C1)[O-] AK-35242 [0,2,0,0,0,0|1,0,1]=4 1299 B12R1.48 OC(=O)C1=CC(Br)=C(C=O)C=C1 AK100358 [0,2,0,0,0,0|0,0,1]=3 1300 B12R1.48 OC1=CC([N+]([O-])=O)=CC=C1OC AK-76550 [0,2,0,0,0,0|1,0,1]=4 1301 B12R1.48 OCC1=C(F)C=C(C=C1)B(O)O AK-61438 [0,2,0,0,0,0|1,0,1]=4 1302 B12R1.48 OCC1=CC=C([N+]([O-])=O)C=C1F AK152017 [0,2,0,0,0,0|1,0,1]=4 1303 B12R1.113 CC(C1=CC=C(OCC)N=C1)=O AK160899 [0,2,0,0,0,0|2,0,0]=4 1304 B12R1.113 CCOC1=NC=C(N=C1)C(O)=O AK-59873 [0,2,0,0,0,0|2,0,0]=4 1305 B12R1.113 COCC1=CC=C(C=C1)B(O)O AK-59627 [0,2,0,0,0,0|1,0,1]=4 1306 B12R1.113 NOCC1=CC=C([N+]([O-])=O)C=C1 AK124241 [0,2,0,0,0,0|1,0,1]=4 1307 B12R1.113 O=C(O)C1=CC=C(CCBr)C=C1 AK-77033 [0,2,0,0,0,0|1,0,0]=3 1308 B12R1.113 O=C(O)C1=CC=C(CCC)C=C1 AK116594 [0,2,0,0,0,0|1,0,0]=3 1309 B12R1.113 O=C(O)C1=CC=C(OCC)C=C1 AK112939 [0,2,0,0,0,0|0,0,0]=2 1310 B12R1.113 O=C(O)C1=NC=C(OCC)C=C1 AK-66857 [0,2,0,0,0,0|1,0,0]=3 1311 B12R1.113 O=[N+](C1=CC=C(C=C1)CCO)[O-] AK-42427 [0,2,0,0,0,0|1,0,1]=4 1312 B12R1.113 OB(C1=CC=C(OCC)C=C1)O AK-34189 [0,2,0,0,0,0|1,0,1]=4 1313 B12R1.113 OC(=O)C1=CC=C(CC#N)C=C1 AK-43276 [0,2,0,0,0,0|1,0,0]=3 1314 B12R1.256 C1=C(C(C)=O)C=CC(=C1)C(O)=O AK-45767 [0,2,0,0,0,0|0,0,1]=3 1315 B12R1.256 C1=C(C=CC(=C1)B(O)O)C(=O)N AK-47634 [0,2,0,0,0,0|1,0,0]=3 1316 B12R1.256 C1=CC(=CC=C1B(O)O)B(O)O AK-35257 [0,2,0,0,0,0|1,0,1]=4 1317 B12R1.256 C1=CC(=CC=C1B(O)O)C(=O)O AK-45039 [0,2,0,0,0,0|0,0,0]=2 1318 B12R1.256 C1=CC(=CC=C1C(C)C)C(O)=O AK-47310 [0,2,0,0,0,0|1,0,0]=3 1319 B12R1.256 C1=CC(=NC=C1C(O)=O)[N+]([O-])=O AK-24485 [0,2,0,0,0,0|1,0,1]=4 1320 B12R1.256 CC(C1=CC=C(B(O)O)C=C1)O AK134194 [0,2,0,0,0,0|1,0,1]=4 1321 B12R1.256 CC(C1=CC=C(N(C)C)C=C1)=O AK136066 [0,2,0,0,0,0|2,0,0]=4 1322 B12R1.256 CC(C1=CC=C([N+]([O-])=O)C=C1)=O AK-46491 [0,2,0,0,0,0|1,0,1]=4 1323 B12R1.256 O=C(C1=NC=C(C(O)=O)N=C1)O AK-76746 [0,2,0,0,0,0|2,0,0]=4 1324 B12R1.256 O=C(C1=NC=C(C(O)=O)N=C1)O AK-81534 [0,2,0,0,0,0|2,0,0]=4 1325 B12R1.256 O=C(N)C1=CC=C(C(N)=N)C=C1 AK-51220 [0,2,0,0,0,0|2,0,0]=4 1326 B12R1.256 O=C(N)C1=CC=C(C(O)C)C=C1 AK149703 [0,2,0,0,0,0|1,0,0]=3 1327 B12R1.256 O=C(N)C1=CC=C(N(C)C)C=C1 AK-64565 [0,2,0,0,0,0|2,0,0]=4 1328 B12R1.256 O=C(O)C1=CC=C(C(N)=N)C=C1 AK139166 [0,2,0,0,0,0|1,0,0]=3 1329 B12R1.256 O=C(O)C1=CC=C(C(O)C)C=C1 AK140628 [0,2,0,0,0,0|0,0,0]=2 1330 B12R1.256 O=C(O)C1=CC=C(N(C)C)C=C1 AK-41190 [0,2,0,0,0,0|1,0,0]=3 1331 B12R1.256 O=C(O)C1=CC=C([C@@H](N)C)C=C1 AK154798 [0,2,0,0,0,0|1,0,0]=3 1332 B12R1.256 O=C(O)C1=CC=C([C@@H](N)C)C=C1 AK157590 [0,2,0,0,0,0|1,0,0]=3 1333 B12R1.256 O=C(O)C1=CC=C([C@H](N)C)C=C1 AK155202 [0,2,0,0,0,0|1,0,0]=3 1334 B12R1.256 O=C(O)C1=CC=C([N+]([O-])=O)C=C1 AK-77655 [0,2,0,0,0,0|0,0,1]=3 1335 B12R1.256 OB(C1=CC=C(C(C)=O)C=C1)O AK-45484 [0,2,0,0,0,0|1,0,0]=3 1336 B12R1.256 OB(C1=CC=C([N+]([O-])=O)C=C1)O AK-44316 [0,2,0,0,0,0|1,0,1]=4 1337 B12R1.256 OC(=O)C1=CN=C(C=C1)C(O)=O AK-41175 [0,2,0,0,0,0|1,0,0]=3 1338 B12R1.256 [N+](=O)([O-])C1=CN=C(C=C1)C(=O)O AK-23840 [0,2,0,0,0,0|1,0,1]=4 1339 B12R1.452 C1=C(C(=CC=C1OC)B(O)O)Cl AK-27130 [0,2,0,0,0,0|1,0,1]=4 1340 B12R1.452 C1=C(OC)C=CC(=C1F)B(O)O AK-33552 [0,2,0,0,0,0|1,0,1]=4 1341 B12R1.452 C1=CC(=CC(=C1C(C)=O)F)OC AK-36270 [0,2,0,0,0,0|1,0,0]=3 1342 B12R1.452 C1=CC(=CC(=C1C(O)=O)N)OC AK-25965 [0,2,0,0,0,0|0,0,0]=2 1343 B12R1.452 C1=CC(=CC(=C1[N+](=O)[O-])N)OC AK-21795 [0,2,0,0,0,0|1,0,1]=4 1344 B12R1.452 CC(C1=CC=C(OC)C=C1O)=O AK-79421 [0,2,0,0,0,0|1,0,0]=3 1345 B12R1.452 CC1=CC(OC)=CC=C1B(O)O AK-45220 [0,2,0,0,0,0|1,0,1]=4 1346 B12R1.452 COC1=CC(=C(C=C1)C(=O)O)Cl AK-34147 [0,2,0,0,0,0|0,0,0]=2 1347 B12R1.452 COC1=CC(O)=C(C=C1)C(O)=O AK-34197 [0,2,0,0,0,0|0,0,0]=2 1348 B12R1.452 COC1=CC(O)=C(C=C1)C([O-])=O AK103858 [0,2,0,0,0,0|0,0,1]=3 1349 B12R1.452 FC1=C(C=CC(=C1)OC)[N+](=O)[O-] AK-25986 [0,2,0,0,0,0|1,0,1]=4 1350 B12R1.452 O=C(O)C1=CC=C(C#N)C=C1Br AK152705 [0,2,0,0,0,0|1,0,0]=3 1351 B12R1.452 O=C(O)C1=CC=C(C#N)C=C1Cl AK150302 [0,2,0,0,0,0|1,0,0]=3 1352 B12R1.452 O=C(O)C1=CC=C(C#N)C=C1F AK-33580 [0,2,0,0,0,0|1,0,0]=3 1353 B12R1.452 O=C(O)C1=CC=C(C#N)C=C1I AK-89899 [0,2,0,0,0,0|1,0,0]=3 1354 B12R1.452 O=C(O)C1=CC=C(NN)C=C1Cl AK172625 [0,2,0,0,0,0|1,0,0]=3 1355 B12R1.452 O=C(O)C1=CC=C(OC)C=C1Br AK-86973 [0,2,0,0,0,0|0,0,0]=2 1356 B12R1.452 O=C(O)C1=CC=C(OC)C=C1C AK-51514 [0,2,0,0,0,0|0,0,0]=2 1357 B12R1.452 O=[N+](C1=CC=C(OC)C=C1Br)[O-] AK136327 [0,2,0,0,0,0|1,0,1]=4 1358 B12R1.452 O=[N+](C1=CC=C(OC)C=C1Cl)[O-] AK-41479 [0,2,0,0,0,0|1,0,1]=4 1359 B12R1.452 OC1=CC(OC)=CC=C1[N+]([O-])=O AK-29448 [0,2,0,0,0,0|1,0,1]=4 1360 B12R1.452 OCC1=CC=C([N+]([O-])=O)C(F)=C1 AK-90554 [0,2,0,0,0,0|1,0,1]=4 1361 B12R1.9 CC1=CC=C(S(=O)(OC)=O)C=C1 AK-48103 [0,2,0,0,0,0|2,0,0]=4 1362 B12R1.23 C1=C(C(=CC=C1[S](N)(=O)=O)O)N AK-29639 [0,2,0,0,0,0|1,0,1]=4 1363 B12R1.23 O=S(C1=CC=C(N)C(N)=C1)(O)=O AK-50087 [0,2,0,0,0,0|2,0,0]=4 1364 B12R1.56 BrC1=C(C=C(C(=O)O)C=C1)OC AK-35652 [0,2,0,0,0,0|1,0,0]=3 1365 B12R1.56 C1=C(C(=CC=C1C(O)=O)N)OC AK-24762 [0,2,0,0,0,0|1,0,0]=3 1366 B12R1.56 C1=C(OC)C(=CC=C1C(O)=O)O AK-32998 [0,2,0,0,0,0|0,0,0]=2 1367 B12R1.56 CC(C1=CC=C(Br)C(OC)=C1)=O AK144652 [0,2,0,0,0,0|2,0,0]=4 1368 B12R1.56 COC1=C(C=CC(=C1)C(=O)O)F AK-36487 [0,2,0,0,0,0|1,0,0]=3 1369 B12R1.56 N#CC1=CC(C(C)=O)=CC=C1Br AK141319 [0,2,0,0,0,0|2,0,0]=4 1370 B12R1.56 N#CC1=CC(C(C)=O)=CC=C1F AK-94339 [0,2,0,0,0,0|2,0,0]=4 1371 B12R1.56 O=C(O)C1=CC=C(Br)C(CO)=C1 AK-93326 [0,2,0,0,0,0|1,0,0]=3 1372 B12R1.56 O=C(O)C1=CC=C(C)C(OC)=C1 AK-36196 [0,2,0,0,0,0|1,0,0]=3 1373 B12R1.56 O=C(O)C1=CC=C(Cl)C(OC)=C1 AK-36584 [0,2,0,0,0,0|1,0,0]=3 1374 B12R1.56 O=C(O)C1=CC=C(F)C(C=O)=C1 AK-32005 [0,2,0,0,0,0|1,0,0]=3 1375 B12R1.56 O=C(O)C1=CC=C(N)C(C#N)=C1 AK141776 [0,2,0,0,0,0|1,0,0]=3 1376 B12R1.56 O=C(O)C1=CC=C(N)C(CC)=C1 AK-92304 [0,2,0,0,0,0|1,0,0]=3 1377 B12R1.56 O=C(O)C1=CC=C(N)C(CO)=C1 AK503090 [0,2,0,0,0,0|1,0,0]=3 1378 B12R1.56 O=C(O)C1=CC=C(O)C(C=O)=C1 AK-82772 [0,2,0,0,0,0|0,0,0]=2 1379 B12R1.56 O=C(O)C1=NC(OC)=C(Br)C=C1 AK100452 [0,2,0,0,0,0|2,0,0]=4 1380 B12R1.56 O=C(O)C1=NC(OC)=C(Cl)C=C1 AK-76603 [0,2,0,0,0,0|2,0,0]=4 1381 B12R1.56 OC(=O)C1=CC(C#N)=C(O)C=C1 AK-32532 [0,2,0,0,0,0|0,0,0]=2 1382 B12R1.56 OC1=CC=C([N+]([O-])=O)C=C1OC AK-29154 [0,2,0,0,0,0|1,0,1]=4 1383 B12R1.232 BrC1=CC(=C(C=C1F)F)C(C)=O AK-50185 [0,2,0,0,0,0|2,0,0]=4 1384 B12R1.232 CC(C1=CC(Cl)=C(Cl)C=C1Cl)=O AK155537 [0,2,0,0,0,0|2,0,0]=4 1385 B12R1.232 CC(C1=CC(F)=C(Br)C=C1O)=O AK252572 [0,2,0,0,0,0|2,0,0]=4 1386 B12R1.232 CC(C1=CC(F)=C(Cl)C=C1Cl)=O AK160309 [0,2,0,0,0,0|2,0,0]=4 1387 B12R1.232 CC(C1=CC(O)=C(O)C=C1O)=O AK153502 [0,2,0,0,0,0|1,0,0]=3 1388 B12R1.232 CC1=CC(Br)=C(C=C1N)C(O)=O AK-80930 [0,2,0,0,0,0|1,0,0]=3 1389 B12R1.232 CC1=CC(O)=C(C)C=C1[N+]([O-])=O AK-39888 [0,2,0,0,0,0|1,0,1]=4 1390 B12R1.232 ClC1=CC(=C(C(=O)O)C=C1Cl)F AK-29091 [0,2,0,0,0,0|1,0,0]=3 1391 B12R1.232 ClC1=CC(=C(C=C1F)F)C(=O)O AK-25349 [0,2,0,0,0,0|1,0,0]=3 1392 B12R1.232 FC1=C(C(=O)O)C=C(C(=C1)F)C AK-34879 [0,2,0,0,0,0|1,0,0]=3 1393 B12R1.232 NC1=C(C(=O)O)C=C(C(=C1)Br)Cl AK-33403 [0,2,0,0,0,0|1,0,0]=3 1394 B12R1.232 NC1=C(C(=O)O)C=C(C(=C1)F)F AK-47218 [0,2,0,0,0,0|1,0,0]=3 1395 B12R1.232 O=C(C1=CC(F)=C(Cl)N=C1Cl)O AK-36478 [0,2,0,0,0,0|2,0,0]=4 1396 B12R1.232 O=C(O)C1=C(Br)N=C(Br)C(Cl)=C1 AK126935 [0,2,0,0,0,0|2,0,0]=4 1397 B12R1.232 O=C(O)C1=C(Cl)N=C(C)C(Br)=C1 AK482401 [0,2,0,0,0,0|2,0,0]=4 1398 B12R1.232 O=C(O)C1=CC(Br)=C(Br)C=C1N AK-36295 [0,2,0,0,0,0|1,0,0]=3 1399 B12R1.232 O=C(O)C1=CC(Br)=C(Cl)C=C1F AK-34535 [0,2,0,0,0,0|1,0,0]=3 1400 B12R1.232 O=C(O)C1=CC(Br)=C(F)C=C1F AK105135 [0,2,0,0,0,0|1,0,0]=3 1401 B12R1.232 O=C(O)C1=CC(C)=C(Br)C=C1F AK-25951 [0,2,0,0,0,0|1,0,0]=3 1402 B12R1.232 O=C(O)C1=CC(C)=C(C)C=C1C AK-81413 [0,2,0,0,0,0|1,0,0]=3 1403 B12R1.232 O=C(O)C1=CC(C)=C(C)C=C1N AK142825 [0,2,0,0,0,0|1,0,0]=3 1404 B12R1.232 O=C(O)C1=CC(C)=C(F)C=C1Br AK-37286 [0,2,0,0,0,0|1,0,0]=3 1405 B12R1.232 O=C(O)C1=CC(C)=C(N)C=C1C AK167268 [0,2,0,0,0,0|1,0,0]=3 1406 B12R1.232 O=C(O)C1=CC(Cl)=C(Br)C=C1Cl AK-80102 [0,2,0,0,0,0|1,0,0]=3 1407 B12R1.232 O=C(O)C1=CC(Cl)=C(Br)C=C1F AK144854 [0,2,0,0,0,0|1,0,0]=3 1408 B12R1.232 O=C(O)C1=CC(Cl)=C(Cl)C=C1C AK194313 [0,2,0,0,0,0|1,0,0]=3 1409 B12R1.232 O=C(O)C1=CC(Cl)=C(Cl)C=C1Cl AK-94169 [0,2,0,0,0,0|1,0,0]=3 1410 B12R1.232 O=C(O)C1=CC(Cl)=C(Cl)C=C1N AK-76661 [0,2,0,0,0,0|1,0,0]=3 1411 B12R1.232 O=C(O)C1=CC(F)=C(Br)C=C1C AK126066 [0,2,0,0,0,0|1,0,0]=3 1412 B12R1.232 O=C(O)C1=CC(F)=C(Br)C=C1Cl AK-53856 [0,2,0,0,0,0|1,0,0]=3 1413 B12R1.232 O=C(O)C1=CC(F)=C(Br)C=C1F AK-64859 [0,2,0,0,0,0|1,0,0]=3 1414 B12R1.232 O=C(O)C1=CC(F)=C(Br)C=C1N AK341393 [0,2,0,0,0,0|1,0,0]=3 1415 B12R1.232 O=C(O)C1=CC(F)=C(C)C=C1F AK-32713 [0,2,0,0,0,0|1,0,0]=3 1416 B12R1.232 O=C(O)C1=CC(F)=C(Cl)C=C1N AK-64743 [0,2,0,0,0,0|1,0,0]=3 1417 B12R1.232 O=C(O)C1=CC(F)=C(F)C=C1Br AK-35982 [0,2,0,0,0,0|1,0,0]=3 1418 B12R1.232 O=C(O)C1=CC(F)=C(F)C=C1Cl AK-25292 [0,2,0,0,0,0|1,0,0]=3 1419 B12R1.232 O=C(O)C1=CC(F)=C(F)C=C1F AK-27025 [0,2,0,0,0,0|1,0,0]=3 1420 B12R1.232 O=C(O)C1=CC(F)=C(F)C=C1I AK-57307 [0,2,0,0,0,0|1,0,0]=3 1421 B12R1.232 O=C(O)C1=CC(F)=C(F)C=C1O AK243242 [0,2,0,0,0,0|1,0,0]=3 1422 B12R1.232 O=C(O)C1=CC(I)=C(F)C=C1Cl AK137717 [0,2,0,0,0,0|1,0,0]=3 1423 B12R1.232 O=C(O)C1=NC(Cl)=C(Cl)C=C1Cl AK-31174 [0,2,0,0,0,0|2,0,0]=4 1424 B12R1.232 OC(=O)C1=C(F)C=C(F)C(I)=C1 AK-87448 [0,2,0,0,0,0|1,0,0]=3 1425 B12R1.232 OC(=O)C1=CC(Cl)=C(Cl)N=C1Cl AK-80695 [0,2,0,0,0,0|2,0,0]=4 1426 B12R1.367 BrC1=C(C=C(C(=O)OC)C=C1)O AK-46937 [0,2,0,0,0,0|1,0,0]=3 1427 B12R1.367 C1=C(C(=CC=C1C(OC)=O)C)N AK-47538 [0,2,0,0,0,0|1,0,0]=3 1428 B12R1.367 C1=C(C(=O)OC)C=NC(=C1Br)Cl AK-23917 [0,2,0,0,0,0|2,0,0]=4 1429 B12R1.367 C1=C(C(OC)=O)C=CC(=C1N)N AK-49131 [0,2,0,0,0,0|1,0,0]=3 1430 B12R1.367 C1=C(C=CC(=C1Br)C)C(OC)=O AK-47512 [0,2,0,0,0,0|1,0,0]=3 1431 B12R1.367 C1=C(C=CC(=C1C)Br)C(OC)=O AK-32180 [0,2,0,0,0,0|1,0,0]=3 1432 B12R1.367 CCC(C1=CC=C(C)C(C)=C1)=O AK-63917 [0,2,0,0,0,0|2,0,0]=4 1433 B12R1.367 CCC(C1=CC=C(F)C(F)=C1)=O AK115109 [0,2,0,0,0,0|2,0,0]=4 1434 B12R1.367 COC(=O)C1=CC(Br)=C(F)C=C1 AK-81963 [0,2,0,0,0,0|1,0,0]=3 1435 B12R1.367 COC(=O)C1=CC(Br)=C(I)C=C1 AK-80259 [0,2,0,0,0,0|1,0,0]=3 1436 B12R1.367 COC(=O)C1=CC(Br)=C(N)C=C1 AK-32787 [0,2,0,0,0,0|1,0,0]=3 1437 B12R1.367 COC(=O)C1=CC(C)=C(I)C=C1 AK-26110 [0,2,0,0,0,0|1,0,0]=3 1438 B12R1.367 COC(=O)C1=CC(Cl)=C(N)C=C1 AK-86922 [0,2,0,0,0,0|1,0,0]=3 1439 B12R1.367 COC(=O)C1=CC(I)=C(N)C=C1 AK-61655 [0,2,0,0,0,0|1,0,0]=3 1440 B12R1.367 COC(=O)C1=CC(O)=C(Cl)C=C1 AK-76886 [0,2,0,0,0,0|1,0,0]=3 1441 B12R1.367 COC(=O)C1=COC(=O)C(Br)=C1 AK111325 [0,2,0,0,0,0|1,0,1]=4 1442 B12R1.367 COC(C1=CC(=C(C=C1)Cl)F)=O AK-39900 [0,2,0,0,0,0|1,0,0]=3 1443 B12R1.367 ClC1=C(C=CC(=C1)C(=O)C=O)Cl AK-10037 [0,2,0,0,0,0|1,0,1]=4 1444 B12R1.367 ClC1=C(C=CC(=C1)C(=O)OC)F AK-72962 [0,2,0,0,0,0|1,0,0]=3 1445 B12R1.367 ClC1=CC=C(C(CBr)=O)C=C1Cl AK-46858 [0,2,0,0,0,0|2,0,0]=4 1446 B12R1.367 FC1=C(C=C(C(=O)OC)C=C1)C AK-46648 [0,2,0,0,0,0|1,0,0]=3 1447 B12R1.367 NC1=C(C=CC(=C1)C(=O)OC)Br AK-35256 [0,2,0,0,0,0|1,0,0]=3 1448 B12R1.367 NC1=C(C=CC(=C1)C(=O)OC)F AK-40058 [0,2,0,0,0,0|1,0,0]=3 1449 B12R1.367 O=C(C1=CC=C(Br)C(N1)=O)OC AK100454 [0,2,0,0,0,0|2,0,0]=4 1450 B12R1.367 O=C(C1=CC=C(F)C(F)=C1)C=O AK-10019 [0,2,0,0,0,0|1,0,1]=4 1451 B12R1.367 O=C(OC)C1=CC=C(Br)C(F)=C1 AK-44121 [0,2,0,0,0,0|1,0,0]=3 1452 B12R1.367 O=C(OC)C1=CC=C(C)C(F)=C1 AK-39787 [0,2,0,0,0,0|1,0,0]=3 1453 B12R1.367 O=C(OC)C1=CC=C(Cl)C(C)=C1 AK117510 [0,2,0,0,0,0|1,0,0]=3 1454 B12R1.367 O=C(OC)C1=CC=C(Cl)C(N)=C1 AK115355 [0,2,0,0,0,0|1,0,0]=3 1455 B12R1.367 O=C(OC)C1=CC=C(I)C(N)=C1 AK-61810 [0,2,0,0,0,0|1,0,0]=3 1456 B12R1.367 O=C(OC)C1=CC=C(I)C(O)=C1 AK-31800 [0,2,0,0,0,0|1,0,0]=3 1457 B12R1.367 O=C(OC)C1=CC=C(N)C(C)=C1 AK-41505 [0,2,0,0,0,0|1,0,0]=3 1458 B12R1.367 O=C(OC)C1=CC=C(N)C(F)=C1 AK-53872 [0,2,0,0,0,0|1,0,0]=3 1459 B12R1.367 O=C(OC)C1=CC=C(N)C(O)=C1 AK-45500 [0,2,0,0,0,0|1,0,0]=3 1460 B12R1.367 O=C(OC)C1=CC=C(O)C(Br)=C1 AK-68225 [0,2,0,0,0,0|0,0,0]=2 1461 B12R1.367 O=C(OC)C1=CC=C(O)C(C)=C1 AK-78928 [0,2,0,0,0,0|0,0,0]=2 1462 B12R1.367 O=C(OC)C1=CC=C(O)C(Cl)=C1 AK-82339 [0,2,0,0,0,0|0,0,0]=2 1463 B12R1.367 O=C(OC)C1=CC=C(O)C(F)=C1 AK-79057 [0,2,0,0,0,0|0,0,0]=2 1464 B12R1.367 O=C(OC)C1=CC=C(O)C(I)=C1 AK-47890 [0,2,0,0,0,0|0,0,0]=2 1465 B12R1.367 O=C(OC)C1=CC=C(O)C(N)=C1 AK-76584 [0,2,0,0,0,0|0,0,0]=2 1466 B12R1.367 O=C(OC)C1=CC=C(O)C(O)=C1 AK-73115 [0,2,0,0,0,0|0,0,0]=2 1467 B12R1.367 O=C(OC)C1=CN=C(Br)C(C)=C1 AK-29742 [0,2,0,0,0,0|2,0,0]=4 1468 B12R1.367 O=C(OC)C1=CN=C(Cl)C(Cl)=C1 AK123985 [0,2,0,0,0,0|2,0,0]=4 1469 B12R1.367 O=C(OC)C1=CN=C(N)C(Br)=C1 AK-25058 [0,2,0,0,0,0|2,0,0]=4 1470 B12R1.367 O=C(OC)C1=NC(Br)=C(N)C=C1 AK339630 [0,2,0,0,0,0|2,0,0]=4 1471 B12R1.367 O=C(OC)C1=NC(C)=C(F)C=C1 AK-82789 [0,2,0,0,0,0|2,0,0]=4 1472 B12R1.367 O=C(OC)C1=NC(Cl)=C(Br)C=C1 AK100450 [0,2,0,0,0,0|2,0,0]=4 1473 B12R1.367 O=C(OC)C1=NC(Cl)=C(C)C=C1 AK-88627 [0,2,0,0,0,0|2,0,0]=4 1474 B12R1.367 O=C(OC)C1=NC(N)=C(Br)C=C1 AK-51186 [0,2,0,0,0,0|2,0,0]=4 1475 B12R1.367 O=C(OC)C1=NC(O)=C(O)C=C1 AK-26588 [0,2,0,0,0,0|1,0,0]=3 1476 B12R1.367 O=C(OC)C1=NC=C(Br)C(C)=C1 AK-36736 [0,2,0,0,0,0|2,0,0]=4 1477 B12R1.367 O=C(OC)C1=NC=C(C)C(Cl)=C1 AK-88624 [0,2,0,0,0,0|2,0,0]=4 1478 B12R1.367 O=C(OC)C1=NC=C(N)C(N)=C1 AK-82285 [0,2,0,0,0,0|2,0,0]=4 1479 B12R1.367 OC1=CC=C(C(CCl)=O)C=C1O AK-88433 [0,2,0,0,0,0|1,0,0]=3 1480 B12R1.893 CC(=O)C1=C(F)C(Br)=C(F)C=C1 AK-79661 [0,2,0,0,0,0|2,0,0]=4 1481 B12R1.893 CC(=O)C1=C(F)C(F)=C(F)C=C1 AK-79660 [0,2,0,0,0,0|2,0,0]=4 1482 B12R1.893 CC1=C(F)C(F)=C(C=C1)C(O)=O AK-48081 [0,2,0,0,0,0|1,0,0]=3 1483 B12R1.893 CC1=C(N)C=CC(C(O)=O)=C1C AK-35654 [0,2,0,0,0,0|1,0,0]=3 1484 B12R1.893 ClC1=C(C(=O)O)C=CC(=C1Cl)F AK-33445 [0,2,0,0,0,0|1,0,0]=3 1485 B12R1.893 FC1=C(C(=O)O)C=CC(=C1C)F AK-32867 [0,2,0,0,0,0|1,0,0]=3 1486 B12R1.893 O=C(O)C1=CC=C(Br)C(C)=C1F AK162975 [0,2,0,0,0,0|1,0,0]=3 1487 B12R1.893 O=C(O)C1=CC=C(Br)C(F)=C1F AK-33927 [0,2,0,0,0,0|1,0,0]=3 1488 B12R1.893 O=C(O)C1=CC=C(Br)C(F)=C1N AK200341 [0,2,0,0,0,0|1,0,0]=3 1489 B12R1.893 O=C(O)C1=CC=C(C)C(C)=C1N AK-35356 [0,2,0,0,0,0|1,0,0]=3 1490 B12R1.893 O=C(O)C1=CC=C(Cl)C(C)=C1F AK545113 [0,2,0,0,0,0|1,0,0]=3 1491 B12R1.893 O=C(O)C1=CC=C(Cl)C(F)=C1F AK113235 [0,2,0,0,0,0|1,0,0]=3 1492 B12R1.893 O=C(O)C1=CC=C(F)C(C)=C1N AK601793 [0,2,0,0,0,0|1,0,0]=3 1493 B12R1.893 O=C(O)C1=CC=C(F)C(F)=C1C AK-33483 [0,2,0,0,0,0|1,0,0]=3 1494 B12R1.893 O=C(O)C1=CC=C(F)C(F)=C1Cl AK128546 [0,2,0,0,0,0|1,0,0]=3 1495 B12R1.893 O=C(O)C1=CC=C(F)C(F)=C1O AK135175 [0,2,0,0,0,0|1,0,0]=3 1496 B12R1.893 O=C(O)C1=CC=C(I)C(F)=C1F AK135717 [0,2,0,0,0,0|1,0,0]=3 1497 B12R1.893 O=C(O)C1=CC=C(N)C(Cl)=C1Cl AK174297 [0,2,0,0,0,0|1,0,0]=3 1498 B12R1.893 O=C(O)C1=CC=C(N)C(F)=C1F AK-33926 [0,2,0,0,0,0|1,0,0]=3 1499 B12R1.893 O=C(O)C1=CC=C(O)C(O)=C1Cl AK316952 [0,2,0,0,0,0|0,0,0]=2 1500 B12R1.893 O=C(O)C1=CC=C(O)C(O)=C1O AK-94172 [0,2,0,0,0,0|0,0,0]=2 1501 B12R1.893 O=C(O)C1=CN=C(F)C(F)=C1Cl AK-38070 [0,2,0,0,0,0|2,0,0]=4 1502 B12R1.893 OC(=O)C1=C(Br)C(F)=C(F)C=C1 AK-33648 [0,2,0,0,0,0|1,0,0]=3 1503 B12R1.893 OC1=CC=C(B(O)O)C(F)=C1F AK-62208 [0,2,0,0,0,0|1,0,1]=4 1504 B12R1.893 OC1=CC=C([N+]([O-])=O)C(C)=C1C AK-61298 [0,2,0,0,0,0|1,0,1]=4 1505 B12R1.1005 C1=C(C=C(Br)C(=C1Br)O)C(O)=O AK-47662 [0,2,0,0,0,0|0,0,0]=2 1506 B12R1.1005 C1=C(C=C(Cl)C(=C1Cl)N)C(C)=O AK-46677 [0,2,0,0,0,0|2,0,0]=4 1507 B12R1.1005 C1=C(C=C(F)C(=C1F)F)C(C)=O AK-48906 [0,2,0,0,0,0|2,0,0]=4 1508 B12R1.1005 CC1=CC(=CC(C)=C1N)C(O)=O AK-68222 [0,2,0,0,0,0|1,0,0]=3 1509 B12R1.1005 CC1=CC(=CC(C)=C1O)C(O)=O AK-35312 [0,2,0,0,0,0|0,0,0]=2 1510 B12R1.1005 FC1=C(C(=CC(=C1)[N+](=O)[O-])F)O AK-24375 [0,2,0,0,0,0|1,0,1]=4 1511 B12R1.1005 NC1=C(F)C=C(C=C1F)C(O)=O AK-61347 [0,2,0,0,0,0|1,0,0]=3 1512 B12R1.1005 O=C(C=1C=C(C)C(N(C1)C)=O)O AK-78283 [0,2,0,0,0,0|1,0,1]=4 1513 B12R1.1005 O=C(O)C1=CC(Br)=C(N)C(Br)=C1 AK-35094 [0,2,0,0,0,0|1,0,0]=3 1514 B12R1.1005 O=C(O)C1=CC(Cl)=C(Br)C(Cl)=C1 AK106948 [0,2,0,0,0,0|1,0,0]=3 1515 B12R1.1005 O=C(O)C1=CC(Cl)=C(C)C(Cl)=C1 AK-35015 [0,2,0,0,0,0|1,0,0]=3 1516 B12R1.1005 O=C(O)C1=CC(Cl)=C(Cl)C(Cl)=C1 AK-48299 [0,2,0,0,0,0|1,0,0]=3 1517 B12R1.1005 O=C(O)C1=CC(F)=C(C)C(Br)=C1 AK158504 [0,2,0,0,0,0|1,0,0]=3 1518 B12R1.1005 O=C(O)C1=CC(F)=C(F)C(F)=C1 AK-79140 [0,2,0,0,0,0|1,0,0]=3 1519 B12R1.1005 O=C(O)C1=CC(F)=C(N)C(Br)=C1 AK134869 [0,2,0,0,0,0|1,0,0]=3 1520 B12R1.1005 O=C(O)C1=CC(N)=C(C)C(N)=C1 AK326738 [0,2,0,0,0,0|1,0,0]=3 1521 B12R1.1005 O=C(O)C1=CC(O)=C(C)C(F)=C1 AK-36756 [0,2,0,0,0,0|1,0,0]=3 1522 B12R1.1005 O=C(O)C1=CC(O)=C(O)C(Cl)=C1 AK142333 [0,2,0,0,0,0|0,0,0]=2 1523 B12R1.1005 OC(=O)C1=CC(Br)=C(F)C(F)=C1 AK-92296 [0,2,0,0,0,0|1,0,0]=3 1524 B12R1.1005 OC(=O)C1=CC(Cl)=C(F)C(F)=C1 AK-33397 [0,2,0,0,0,0|1,0,0]=3 1525 B12R1.1005 OC(=O)C1=CC(Cl)=C(O)C(Cl)=C1 AK110730 [0,2,0,0,0,0|0,0,0]=2 1526 B12R1.1005 OC(=O)C1=CC(F)=C(Br)C(F)=C1 AK-82192 [0,2,0,0,0,0|1,0,0]=3 1527 B12R1.1005 OC1=CC(C(O)=O)=CC(O)=C1O AK-65266 [0,2,0,0,0,0|0,0,0]=2 1528 B12R1.16 C(C)OC(=O)C1=NC=C(C=C1)Br AK-26326 [0,2,0,0,0,0|2,0,0]=4 1529 B12R1.16 C(C)OC(C1=CN=C(C=C1)Br)=O AK-25676 [0,2,0,0,0,0|2,0,0]=4 1530 B12R1.16 C(OC(=O)C1=CNC(=O)C=C1)C AK-25535 [0,2,0,0,0,0|1,0,1]=4 1531 B12R1.16 C1=C(C(OCC)=O)C=CC(=C1)Br AK-47339 [0,2,0,0,0,0|1,0,0]=3 1532 B12R1.16 C1=CC(=CC=C1C(OCC)=O)F AK-46539 [0,2,0,0,0,0|1,0,0]=3 1533 B12R1.16 CCCC(C1=CC=C(F)C=C1)=O AK324839 [0,2,0,0,0,0|2,0,0]=4 1534 B12R1.16 CCCC(C1=CC=C(O)C=C1)=O AK114518 [0,2,0,0,0,0|1,0,0]=3 1535 B12R1.16 CCOC(=O)C1=CC=C(C)N=C1 AK-47039 [0,2,0,0,0,0|2,0,0]=4 1536 B12R1.16 CCOC(=O)C1=CN=C(Cl)C=C1 AK-29299 [0,2,0,0,0,0|2,0,0]=4 1537 B12R1.16 COCC(C1=CC=C(O)C=C1)=O AK144287 [0,2,0,0,0,0|0,0,0]=2 1538 B12R1.16 ClCCC(=O)C1=CC=C(Br)C=C1 AK-48143 [0,2,0,0,0,0|2,0,0]=4 1539 B12R1.16 N#CCC(C1=CC=C(F)C=C1)=O AK-84420 [0,2,0,0,0,0|2,0,0]=4 1540 B12R1.16 O=C(C1=CC=C(Cl)C=C1)CC#N AK-42875 [0,2,0,0,0,0|2,0,0]=4 1541 B12R1.16 O=C(OCC)C1=CC=C(Cl)C=C1 AK109118 [0,2,0,0,0,0|1,0,0]=3 1542 B12R1.16 O=C(OCC)C1=CC=C(I)C=C1 AK-43962 [0,2,0,0,0,0|1,0,0]=3 1543 B12R1.16 O=C(OCC)C1=CC=C(N)C=C1 AK-46733 [0,2,0,0,0,0|1,0,0]=3 1544 B12R1.16 O=C(OCC)C1=CC=C(O)C=C1 AK-49315 [0,2,0,0,0,0|0,0,0]=2 1545 B12R1.16 O=C(OCC)C1=CN=C(N)C=C1 AK-32375 [0,2,0,0,0,0|2,0,0]=4 1546 B12R1.16 O=C(OCC)C1=NC=C(C)C=C1 AK-68218 [0,2,0,0,0,0|2,0,0]=4 1547 B12R1.16 O=C(OCC)C1=NC=C(N)C=C1 AK112557 [0,2,0,0,0,0|2,0,0]=4 1548 B12R1.16 OC1=CC=C(C(O)CNC)C=C1 AK-72983 [0,2,0,0,0,0|1,0,1]=4 1549 B12R1.1703 BrC1=C(C(=O)OC)C=CC(=C1)C AK-46754 [0,2,0,0,0,0|1,0,0]=3 1550 B12R1.1703 BrC1=CC(=C(C(=O)OC)C=C1)C AK-28097 [0,2,0,0,0,0|1,0,0]=3 1551 B12R1.1703 C1=C(C(=CC(=C1)F)Cl)C(OC)=O AK-47401 [0,2,0,0,0,0|1,0,0]=3 1552 B12R1.1703 C1=C(C(=CC(=C1)O)O)C(OC)=O AK-50554 [0,2,0,0,0,0|0,0,0]=2 1553 B12R1.1703 C1=CC(=CC(=C1C(OC)=O)O)N AK-45502 [0,2,0,0,0,0|1,0,0]=3 1554 B12R1.1703 COC(=O)C1=C(Br)C=C(F)C=C1 AK-46746 [0,2,0,0,0,0|1,0,0]=3 1555 B12R1.1703 COC(=O)C1=C(C)C=C(I)C=C1 AK-77363 [0,2,0,0,0,0|1,0,0]=3 1556 B12R1.1703 COC(=O)C1=C(F)C=C(Br)C=C1 AK-46835 [0,2,0,0,0,0|1,0,0]=3 1557 B12R1.1703 COC(=O)C1=C(N)C=C(I)C=C1 AK-37605 [0,2,0,0,0,0|1,0,0]=3 1558 B12R1.1703 COC(=O)C1=C(O)C=C(C)C=C1 AK-82342 [0,2,0,0,0,0|1,0,0]=3 1559 B12R1.1703 COC(=O)C1=CC=C(C)C=C1N AK-61296 [0,2,0,0,0,0|1,0,0]=3 1560 B12R1.1703 COC(=O)C1=CC=C(O)C=C1Cl AK-32726 [0,2,0,0,0,0|0,0,0]=2 1561 B12R1.1703 COC(=O)C1=NC=C(C=C1C)Br AK-25600 [0,2,0,0,0,0|2,0,0]=4 1562 B12R1.1703 COC(C1=C(C=C(C=C1)N)F)=O AK-75833 [0,2,0,0,0,0|1,0,0]=3 1563 B12R1.1703 ClC1=CC(=NC=C1C(=O)OC)Cl AK-23913 [0,2,0,0,0,0|2,0,0]=4 1564 B12R1.1703 FC1=C(C(=O)OC)C=CC(=C1)O AK-41478 [0,2,0,0,0,0|0,0,0]=2 1565 B12R1.1703 FC1=CC(=C(C(=O)OC)C=C1)O AK-49085 [0,2,0,0,0,0|1,0,0]=3 1566 B12R1.1703 FC1=CC=C(C(CCl)=O)C(F)=C1 AK-51748 [0,2,0,0,0,0|2,0,0]=4 1567 B12R1.1703 NC1=CC(=C(C(=O)OC)C=C1)C AK-46101 [0,2,0,0,0,0|1,0,0]=3 1568 B12R1.1703 NC1=CC(=C(C(=O)OC)C=C1)Cl AK-40022 [0,2,0,0,0,0|1,0,0]=3 1569 B12R1.1703 O=C(C1=NN=C(O)C=C1O)OC AK-51407 [0,2,0,0,0,0|2,0,0]=4 1570 B12R1.1703 O=C(NC)C1=CC=C(Br)C=C1F AK-98185 [0,2,0,0,0,0|2,0,0]=4 1571 B12R1.1703 O=C(NC)C1=CC=C(N)C=C1F AK135551 [0,2,0,0,0,0|2,0,0]=4 1572 B12R1.1703 O=C(OC)C1=C(C)N=C(F)C=C1 AK198785 [0,2,0,0,0,0|2,0,0]=4 1573 B12R1.1703 O=C(OC)C1=C(Cl)N=C(C)C=C1 AK-28460 [0,2,0,0,0,0|2,0,0]=4 1574 B12R1.1703 O=C(OC)C1=C(Cl)N=C(Cl)C=C1 AK-82618 [0,2,0,0,0,0|2,0,0]=4 1575 B12R1.1703 O=C(OC)C1=CC=C(Br)C=C1Cl AK107560 [0,2,0,0,0,0|1,0,0]=3 1576 B12R1.1703 O=C(OC)C1=CC=C(Br)C=C1N AK-53857 [0,2,0,0,0,0|1,0,0]=3 1577 B12R1.1703 O=C(OC)C1=CC=C(Br)C=C1O AK-88441 [0,2,0,0,0,0|1,0,0]=3 1578 B12R1.1703 O=C(OC)C1=CC=C(C)C=C1C AK140642 [0,2,0,0,0,0|1,0,0]=3 1579 B12R1.1703 O=C(OC)C1=CC=C(Cl)C=C1Br AK-64354 [0,2,0,0,0,0|1,0,0]=3 1580 B12R1.1703 O=C(OC)C1=CC=C(Cl)C=C1I AK201245 [0,2,0,0,0,0|1,0,0]=3 1581 B12R1.1703 O=C(OC)C1=CC=C(Cl)C=C1N AK-72924 [0,2,0,0,0,0|1,0,0]=3 1582 B12R1.1703 O=C(OC)C1=CC=C(Cl)C=C1O AK-46989 [0,2,0,0,0,0|1,0,0]=3 1583 B12R1.1703 O=C(OC)C1=CC=C(F)C=C1C AK-63369 [0,2,0,0,0,0|1,0,0]=3 1584 B12R1.1703 O=C(OC)C1=CC=C(F)C=C1F AK-39185 [0,2,0,0,0,0|1,0,0]=3 1585 B12R1.1703 O=C(OC)C1=CC=C(I)C=C1F AK174064 [0,2,0,0,0,0|1,0,0]=3 1586 B12R1.1703 O=C(OC)C1=CC=C(I)C=C1O AK144550 [0,2,0,0,0,0|1,0,0]=3 1587 B12R1.1703 O=C(OC)C1=CN=C(Br)C=C1Cl AK157951 [0,2,0,0,0,0|2,0,0]=4 1588 B12R1.1703 O=C(OC)C1=CN=C(C)C=C1N AK321488 [0,2,0,0,0,0|2,0,0]=4 1589 B12R1.1703 O=C(OC)C1=CN=C(N)C=C1Cl AK543110 [0,2,0,0,0,0|2,0,0]=4 1590 B12R1.1703 O=C(OC)C1=CN=C(O)C=C1O AK-65278 [0,2,0,0,0,0|1,0,0]=3 1591 B12R1.1703 O=C(OC)C1=NC=C(Br)C=C1Cl AK128538 [0,2,0,0,0,0|2,0,0]=4 1592 B12R1.1703 O=C(OC)C1=NC=C(F)C=C1C AK146488 [0,2,0,0,0,0|2,0,0]=4 1593 B12R1.1703 ONC(=N)C1=C(F)C=C(O)C=C1 AK-79609 [0,2,0,0,0,0|1,0,0]=3 1594 B12R1.57 C1=C(F)C=CC(=C1OC)C(O)=O AK-35011 [0,2,0,0,0,0|1,0,0]=3 1595 B12R1.57 C1=C(O)C=CC(=C1C=O)[N+](=O)[O-] AK-25959 [0,2,0,0,0,0|1,0,1]=4 1596 B12R1.57 CC(C1=CC=C(Br)C=C1OC)=O AK104826 [0,2,0,0,0,0|2,0,0]=4 1597 B12R1.57 COC1=C(C=CC(=C1)O)[N+](=O)[O-] AK-47446 [0,2,0,0,0,0|1,0,1]=4 1598 B12R1.57 COC1=C(C=CC(Br)=C1)C(O)=O AK-28153 [0,2,0,0,0,0|1,0,0]=3 1599 B12R1.57 COC1=C(C=CC(Cl)=N1)C(O)=O AK-67843 [0,2,0,0,0,0|2,0,0]=4 1600 B12R1.57 COC1=C(C=CC(N)=C1)C(C)=O AK-86813 [0,2,0,0,0,0|2,0,0]=4 1601 B12R1.57 ClC1=NC=C(C(=O)O)C(=C1)OC AK-47449 [0,2,0,0,0,0|2,0,0]=4 1602 B12R1.57 O=C(O)C1=C(OC)N=C(Br)C=C1 AK121840 [0,2,0,0,0,0|2,0,0]=4 1603 B12R1.57 O=C(O)C1=C(OC)N=C(N)C=C1 AK550297 [0,2,0,0,0,0|2,0,0]=4 1604 B12R1.57 O=C(O)C1=CC=C(Br)C=C1CO AK141775 [0,2,0,0,0,0|1,0,0]=3 1605 B12R1.57 O=C(O)C1=CC=C(Br)C=C1NN AK601795 [0,2,0,0,0,0|1,0,0]=3 1606 B12R1.57 O=C(O)C1=CC=C(Cl)C=C1OC AK-35706 [0,2,0,0,0,0|1,0,0]=3 1607 B12R1.57 OCC1=CC(O)=CC=C1[N+]([O-])=O AK-28529 [0,2,0,0,0,0|1,0,1]=4 1608 B12R1.1000 BrC1=CC(=C(C(=O)O)C(=C1)C)C AK-49009 [0,2,0,0,0,0|1,0,0]=3 1609 B12R1.1000 CC(=O)C1=C(O)C=C(O)C=C1O AK-96677 [0,2,0,0,0,0|1,0,0]=3 1610 B12R1.1000 CC(C1=C(F)C=C(Br)C=C1F)=O AK132920 [0,2,0,0,0,0|2,0,0]=4 1611 B12R1.1000 CC(C1=C(F)C=C(F)C=C1N)=O AK145719 [0,2,0,0,0,0|2,0,0]=4 1612 B12R1.1000 CC1=CC(F)=C(C(O)=O)C(F)=C1 AK-53650 [0,2,0,0,0,0|1,0,0]=3 1613 B12R1.1000 CC1=CC(F)=CC(Br)=C1C(O)=O AK-32621 [0,2,0,0,0,0|1,0,0]=3 1614 B12R1.1000 ClC1=NC(=CC(=C1C(=O)O)C)Cl AK-35904 [0,2,0,0,0,0|2,0,0]=4 1615 B12R1.1000 NC1=C(C(O)=O)C(Br)=CC(Br)=C1 AK-40868 [0,2,0,0,0,0|1,0,0]=3 1616 B12R1.1000 NC1=CC(Cl)=CC(Cl)=C1C(O)=O AK-87870 [0,2,0,0,0,0|1,0,0]=3 1617 B12R1.1000 O=C(O)C1=C(C)C=C(C)C=C1C AK-50732 [0,2,0,0,0,0|1,0,0]=3 1618 B12R1.1000 O=C(O)C1=C(C)C=C(F)C=C1C AK-33599 [0,2,0,0,0,0|1,0,0]=3 1619 B12R1.1000 O=C(O)C1=C(C)C=C(O)C=C1O AK-77256 [0,2,0,0,0,0|0,0,0]=2 1620 B12R1.1000 O=C(O)C1=C(Cl)C=C(Br)C=C1Cl AK-76858 [0,2,0,0,0,0|1,0,0]=3 1621 B12R1.1000 O=C(O)C1=C(Cl)C=C(I)C=C1Cl AK161218 [0,2,0,0,0,0|1,0,0]=3 1622 B12R1.1000 O=C(O)C1=C(Cl)N=C(C)C=C1C AK-84419 [0,2,0,0,0,0|2,0,0]=4 1623 B12R1.1000 O=C(O)C1=C(Cl)N=C(Cl)C=C1Cl AK-82835 [0,2,0,0,0,0|2,0,0]=4 1624 B12R1.1000 O=C(O)C1=C(Cl)N=C(Cl)C=C1N AK110482 [0,2,0,0,0,0|2,0,0]=4 1625 B12R1.1000 O=C(O)C1=C(F)C=C(Br)C=C1Cl AK191616 [0,2,0,0,0,0|1,0,0]=3 1626 B12R1.1000 O=C(O)C1=C(F)C=C(Br)C=C1F AK-47965 [0,2,0,0,0,0|1,0,0]=3 1627 B12R1.1000 O=C(O)C1=C(F)C=C(Cl)C=C1Cl AK135723 [0,2,0,0,0,0|1,0,0]=3 1628 B12R1.1000 O=C(O)C1=C(F)C=C(F)C=C1N AK-38433 [0,2,0,0,0,0|1,0,0]=3 1629 B12R1.1000 O=C(O)C1=C(F)C=C(N)C=C1F AK271408 [0,2,0,0,0,0|1,0,0]=3 1630 B12R1.1000 O=C(O)C1=C(O)C=C(O)C=C1O AK-94120 [0,2,0,0,0,0|0,0,0]=2 1631 B12R1.1000 OC1=CC(C)=C([N+]([O-])=O)C(C)=C1 AK136403 [0,2,0,0,0,0|1,0,1]=4 1632 B12R1.1000 OC1=CC(F)=C(B(O)O)C(F)=C1 AK-62176 [0,2,0,0,0,0|1,0,1]=4 1633 B12R1.1000 OC1=CC(O)=CC(O)=C1[N+]([O-])=O AK-63478 [0,2,0,0,0,0|1,0,1]=4 1634 B10R2.320 C1=CC=CC2=C1CC2=O AK-72898 [1,0,0,1,0,0|1,0,0]=3 1635 B12R2.606 BrC1=CC2=C(NC(=O)O2)C=C1 AK-33961 [0,0,0,1,0,1|1,0,0]=3 1636 B12R2.606 BrC1=CC2=C(NC(N2)=O)C=C1 AK-22228 [0,0,0,1,0,1|2,0,0]=4 1637 B12R2.606 BrC1=CC2=C(OC(=O)N2)C=C1 AK-86848 [0,0,0,1,0,1|2,0,0]=4 1638 B12R2.606 BrC1=CC2=C(SC(=O)N2)C=C1 AK-87034 [0,0,0,1,0,1|2,0,0]=4 1639 B12R2.606 BrC1=CC=C2CC(=O)CC2=C1 AK-32489 [0,0,0,1,0,1|2,0,0]=4 1640 B12R2.606 BrC1=CN=C2C(=C1)OC(N2)=O AK-24539 [0,0,0,1,0,1|2,0,0]=4 1641 B12R2.606 C1=C(C=CC2=C1NC(N2)=O)N AK-27188 [0,0,0,1,0,1|2,0,0]=4 1642 B12R2.606 C1=CC(=CC2=C1NC(=O)S2)Br AK-35883 [0,0,0,1,0,1|1,1,0]=4 1643 B12R2.606 CC1=CC2=C(N1)C=C(O)C=C2 AK105293 [0,0,0,1,0,1|2,0,0]=4 1644 B12R2.606 CC1=NC2=C(N1)C=CC(O)=C2 AK-99427 [0,0,0,1,0,1|2,0,0]=4 1645 B12R2.606 CC1=NC2=C(O1)C=C(Cl)C=C2 AK-85814 [0,0,0,1,0,1|2,0,0]=4 1646 B12R2.606 CC1=NC2=C(O1)C=C(N)C=C2 AK-29411 [0,0,0,1,0,1|2,0,0]=4 1647 B12R2.606 CC1=NC2=C(O1)C=CC(O)=C2 AK104913 [0,0,0,1,0,1|2,0,0]=4 1648 B12R2.606 ClC1=CC2=C(NC(=O)S2)C=C1 AK-30262 [0,0,0,1,0,1|1,1,0]=4 1649 B12R2.606 FC1=CC=C2NC(=O)SC2=C1 AK-30083 [0,0,0,1,0,1|1,1,0]=4 1650 B12R2.606 NC1=CC2=C(NC(=O)S2)C=C1 AK-86990 [0,0,0,1,0,1|1,1,0]=4 1651 B12R2.606 NC1=NC2=C(O1)C=C(Br)C=C2 AK-35461 [0,0,0,1,0,1|2,0,0]=4 1652 B12R2.606 O=C1CC2=C(C=C(Cl)C=C2)C1 AK154493 [0,0,0,1,0,1|2,0,0]=4 1653 B12R2.606 O=C1NC2=C(C=C(Br)C=C2)C1 AK-39225 [0,0,0,1,0,1|2,0,0]=4 1654 B12R2.606 O=C1NC2=C(C=C(F)C=C2)C1 AK-23028 [0,0,0,1,0,1|2,0,0]=4 1655 B12R2.606 O=C1NC2=C(C=C(N)C=C2)C1 AK-37753 [0,0,0,1,0,1|2,0,0]=4 1656 B12R2.606 O=C1NC2=C(C=CC(Br)=C2)C1 AK-26491 [0,0,0,1,0,1|2,0,0]=4 1657 B12R2.606 O=C1NC2=C(C=CC(C)=C2)C1 AK-79359 [0,0,0,1,0,1|2,0,0]=4 1658 B12R2.606 O=C1NC2=C(C=CC(Cl)=C2)C1 AK-29404 [0,0,0,1,0,1|2,0,0]=4 1659 B12R2.606 O=C1NC2=C(C=CC(N)=C2)C1 AK-28791 [0,0,0,1,0,1|2,0,0]=4 1660 B12R2.606 O=C1NC2=CC=C(C)C=C2N1 AK-92933 [0,0,0,1,0,1|2,0,0]=4 1661 B12R2.606 O=C1NC2=CC=C(Cl)C=C2N1 AK-22225 [0,0,0,1,0,1|2,0,0]=4 1662 B12R2.606 O=C1NC2=CC=C(F)C=C2N1 AK-22224 [0,0,0,1,0,1|2,0,0]=4 1663 B12R2.606 O=C1OC2=CC(Cl)=CN=C2N1 AK-32208 [0,0,0,1,0,1|2,0,0]=4 1664 B12R2.606 O=C1OC2=CC=C(F)C=C2N1 AK157798 [0,0,0,1,0,1|2,0,0]=4 1665 B12R2.606 OC1=CC=C2N=C(C)SC2=C1 AK-36112 [0,0,0,1,0,1|1,1,0]=4 1666 B12R2.606 OC1=CC=C2N=C(N)SC2=C1 AK-34436 [0,0,0,1,0,1|1,1,0]=4 1667 B12R2.606 OC1=CC=C2NC(N)=NC2=C1 AK126168 [0,0,0,1,0,1|2,0,0]=4 1668 B12R2.1384 O=C(C1=CC=C2CCC2=C1)O AK549131 [0,1,0,1,0,0|1,0,0]=3 1669 B12R2.612 BrC1=CC=C2C(=C1)[NH]N=C2O AK-36726 [0,1,0,1,0,0|2,0,0]=4 1670 B12R2.612 BrC1=CC=C2C(=O)NOC2=C1 AK-76119 [0,1,0,1,0,0|1,0,0]=3 1671 B12R2.612 BrC1=CC=C2C(NCC2=C1)=O AK-29385 [0,1,0,1,0,0|2,0,0]=4 1672 B12R2.612 C1=C(C=CC2=C1CCC2=O)Cl AK-31971 [0,1,0,1,0,0|2,0,0]=4 1673 B12R2.612 CC1=NOC2=C1C=CC(=C2)O AK-24401 [0,1,0,1,0,0|1,0,0]=3 1674 B12R2.612 CC1=NOC2=CC(Br)=CC=C12 AK-80171 [0,1,0,1,0,0|2,0,0]=4 1675 B12R2.612 ClC1=NOC2=C1C=CC(Cl)=C2 AK-59821 [0,1,0,1,0,0|2,0,0]=4 1676 B12R2.612 ClC1=NOC2=CC(Br)=CC=C12 AK-28215 [0,1,0,1,0,0|2,0,0]=4 1677 B12R2.612 FC1=CC2=C(C(=NO2)N)C=C1 AK-24372 [0,1,0,1,0,0|2,0,0]=4 1678 B12R2.612 FC1=CC=C2C(=O)NOC2=C1 AK100150 [0,1,0,1,0,0|1,0,0]=3 1679 B12R2.612 FC1=CC=C2C(Cl)=NOC2=C1 AK-67876 [0,1,0,1,0,0|2,0,0]=4 1680 B12R2.612 NC1=CC=C2C(NCC2=C1)=O AK-34184 [0,1,0,1,0,0|2,0,0]=4 1681 B12R2.612 NC1=NOC2=CC(Br)=CC=C12 AK-23852 [0,1,0,1,0,0|2,0,0]=4 1682 B12R2.612 O=C1CCC2=C1C=CC(Br)=C2 AK-25818 [0,1,0,1,0,0|2,0,0]=4 1683 B12R2.612 O=C1CCC2=C1C=CC(C)=C2 AK-41812 [0,1,0,1,0,0|2,0,0]=4 1684 B12R2.612 O=C1CCC2=C1C=CC(F)=C2 AK-26274 [0,1,0,1,0,0|2,0,0]=4 1685 B12R2.612 O=C1CCC2=C1C=CC(I)=C2 AK-29326 [0,1,0,1,0,0|2,0,0]=4 1686 B12R2.612 O=C1CCC2=C1C=CC(N)=C2 AK-34777 [0,1,0,1,0,0|2,0,0]=4 1687 B12R2.612 O=C1COC2=CC(Br)=CC=C12 AK-33982 [0,1,0,1,0,0|1,0,0]=3 1688 B12R2.612 O=C1COC2=CC(Cl)=CC=C12 AK-25773 [0,1,0,1,0,0|1,0,0]=3 1689 B12R2.612 O=C1COC2=CC(O)=CC=C12 AK-27229 [0,1,0,1,0,0|0,0,0]=2 1690 B12R2.612 O=C1NNC2=C1C=CC(F)=C2 AK-99888 [0,1,0,1,0,0|2,0,0]=4 1691 B12R2.612 O=C1NOC2=CC(C)=CC=C12 AK-67760 [0,1,0,1,0,0|1,0,0]=3 1692 B12R2.612 O=C1NSC2=CC(F)=CC=C12 AK126238 [0,1,0,1,0,0|1,1,0]=4 1693 B12R2.612 O=C1OCC2=C1C=CC(Br)=C2 AK-35968 [0,1,0,1,0,0|1,0,0]=3 1694 B12R2.612 O=C1OCC2=C1C=CC(Cl)=C2 AK161984 [0,1,0,1,0,0|1,0,0]=3 1695 B12R2.612 OC1=CC2=C(C=C1)C(=O)N=C2 AK-64733 [0,1,0,1,0,0|1,0,0]=3 1696 B12R2.612 OC1=CC=C2C(=C1)[NH]N=C2C AK-24402 [0,1,0,1,0,0|2,0,0]=4 1697 B8R1.1 C1=C(SC(=C1)Br)C=O AK-35268 [1,0,0,0,1,0|2,0,0]=4 1698 B8R1.1 CC1=CC=C(S1)C=O AK-30245 [1,0,0,0,1,0|2,0,0]=4 1699 B8R1.1 IC1=CNC(C=O)=C1 AK-76715 [1,0,0,0,1,0|2,0,0]=4 1700 B8R1.1 IC1=CSC(C=O)=C1 AK-82084 [1,0,0,0,1,0|2,0,0]=4 1701 B8R1.1 O=CC1=CC(Br)=CO1 AK-79028 [1,0,0,0,1,0|2,0,0]=4 1702 B8R1.1 O=CC1=CC(Br)=CS1 AK-33867 [1,0,0,0,1,0|2,0,0]=4 1703 B8R1.1 O=CC1=CC=C(Br)O1 AK-32379 [1,0,0,0,1,0|2,0,0]=4 1704 B8R1.1 O=CC1=CC=C(C)O1 AK-94177 [1,0,0,0,1,0|2,0,0]=4 1705 B8R1.1 O=CC1=CC=C(Cl)O1 AK158080 [1,0,0,0,1,0|2,0,0]=4 1706 B8R1.1 O=CC1=CC=C(Cl)S1 AK-48469 [1,0,0,0,1,0|2,0,0]=4 1707 B8R1.1 O=CC1=CSC(C)=C1 AK138065 [1,0,0,0,1,0|2,0,0]=4 1708 B8R1.1 O=CC1=CSC(Cl)=C1 AK-50469 [1,0,0,0,1,0|2,0,0]=4 1709 B8R1.7 C1=C(C(=O)O)[NH]C=N1 AK-25282 [1,0,0,0,1,0|2,0,0]=4 1710 B8R1.7 C1=COC=C1C(O)=O AK-32276 [1,0,0,0,1,0|1,0,0]=3 1711 B8R1.7 C1=NC=C(S1)C(=O)O AK-27761 [1,0,0,0,1,0|2,0,0]=4 1712 B8R1.7 C1=N[NH]C=C1C(O)=O AK-25877 [1,0,0,0,1,0|2,0,0]=4 1713 B8R1.7 CC(=O)C1=CC=CN1 AK-53458 [1,0,0,0,1,0|2,0,0]=4 1714 B8R1.7 CC(=O)C1=CSC=C1 AK-44537 [1,0,0,0,1,0|2,0,0]=4 1715 B8R1.7 O1C=CC(=N1)C(=O)O AK-27692 [1,0,0,0,1,0|2,0,0]=4 1716 B8R1.7 O=C(C1=CC=CN1)O AK-44225 [1,0,0,0,1,0|1,0,0]=3 1717 B8R1.7 O=C(C1=CC=CO1)O AK-72863 [1,0,0,0,1,0|1,0,0]=3 1718 B8R1.7 O=C(C1=CC=CS1)[O-] AK110095 [1,0,0,0,1,0|1,0,1]=4 1719 B8R1.7 O=C(C1=CC=NO1)O AK-25596 [1,0,0,0,1,0|2,0,0]=4 1720 B8R1.7 O=C(C1=CC=NS1)O AK-94814 [1,0,0,0,1,0|2,0,0]=4 1721 B8R1.7 O=C(C1=CN=CO1)O AK-28732 [1,0,0,0,1,0|2,0,0]=4 1722 B8R1.7 O=C(C1=CNC=C1)C AK-45953 [1,0,0,0,1,0|2,0,0]=4 1723 B8R1.7 O=C(C1=COC=N1)O AK-29026 [1,0,0,0,1,0|2,0,0]=4 1724 B8R1.7 O=C(C1=CSC=C1)O AK-46373 [1,0,0,0,1,0|1,0,0]=3 1725 B8R1.7 O=C(C1=CSC=N1)O AK-23931 [1,0,0,0,1,0|2,0,0]=4 1726 B8R1.7 O=C(C1=CSN=C1)O AK-84534 [1,0,0,0,1,0|2,0,0]=4 1727 B8R1.7 O=C(C1=NNC=C1)O AK-29904 [1,0,0,0,1,0|2,0,0]=4 1728 B8R1.7 OC(=O)C1=CNC=C1 AK-26450 [1,0,0,0,1,0|1,0,0]=3 1729 B8R1.7 S1C=CN=C1C(=O)O AK-21895 [1,0,0,0,1,0|2,0,0]=4 1730 B8R1.7 [NH]1C=CN=C1C(=O)O AK-27693 [1,0,0,0,1,0|2,0,0]=4 1731 B8R1.7 [O-]C(=O)C1=CC=CS1 AK111442 [1,0,0,0,1,0|1,0,1]=4 1732 B10R1.18 C1=C(C=CN=C1)CC(C)=O AK-47657 [1,0,0,0,0,1|2,0,0]=4 1733 B10R1.18 C1=C(C=CN=C1)CC(O)=O AK-45111 [1,0,0,0,0,1|1,0,0]=3 1734 B10R1.18 C1=NC=CC=C1CC(O)=O AK-26036 [1,0,0,0,0,1|1,0,0]=3 1735 B10R1.18 CC(CC1=NC=CC=C1)=O AK-32596 [1,0,0,0,0,1|2,0,0]=4 1736 B10R1.18 C\C(C)=C/C1=CC=CC=C1 AK113914 [1,0,0,0,0,1|2,0,0]=4 1737 B10R1.18 N1=CN=CC(=C1)CC(=O)O AK-32588 [1,0,0,0,0,1|2,0,0]=4 1738 B10R1.18 N=C(N)CC1=CC=CC=C1 AK-77604 [1,0,0,0,0,1|2,0,0]=4 1739 B10R1.18 NC(NC1=CC=CC=C1)=N AK117130 [1,0,0,0,0,1|2,0,0]=4 1740 B10R1.18 O=C(N)CC1=CC=CC=C1 AK-45803 [1,0,0,0,0,1|1,0,0]=3 1741 B10R1.18 O=C(N)CC1=CC=CN=C1 AK-81612 [1,0,0,0,0,1|2,0,0]=4 1742 B10R1.18 O=C(O)CC1=CC=CN=C1 AK-26773 [1,0,0,0,0,1|1,0,0]=3 1743 B10R1.18 OC(=N)NC1=CC=CC=C1 AK-65147 [1,0,0,0,0,1|1,0,0]=3 1744 B10R1.18 OC(=O)CC1=CC=CC=N1 AK-45110 [1,0,0,0,0,1|1,0,0]=3 1745 B10R1.18 S=C(Cl)OC1=CC=CC=C1 AK163079 [1,0,0,0,0,1|1,1,0]=4 1746 B10R1.18 S=C(N)NC1=CC=CC=C1 AK305328 [1,0,0,0,0,1|1,1,0]=4 1747 B12R1.21 C1=C(C=CC(=C1)O)C=CC(O)=O AK-26304 [0,0,0,0,0,2|0,0,0]=2 1748 B12R1.21 C1=C(C=CC(=C1)O)CCC(O)=O AK-46638 [0,0,0,0,0,2|0,0,0]=2 1749 B12R1.21 CC(CCC1=CC=C(O)C=C1)=O AK114178 [0,0,0,0,0,2|1,0,0]=3 1750 B12R1.21 CC(NNC1=CC=C(Br)C=C1)=O AK668231 [0,0,0,0,0,2|2,0,0]=4 1751 B12R1.21 O=C(O)C#CC1=CC=C(Cl)C=C1 AK-98680 [0,0,0,0,0,2|1,0,0]=3 1752 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 AK-24764 [0,0,0,0,0,2|1,0,0]=3 1753 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 AK-25565 [0,0,0,0,0,2|1,0,0]=3 1754 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 AK-33583 [0,0,0,0,0,2|1,0,0]=3 1755 B12R1.21 O=C(O)CCC1=CC=C(N)N=C1 AK-80996 [0,0,0,0,0,2|2,0,0]=4 1756 B12R1.21 O=C(O)COC1=CC=C(Cl)C=C1 AK163273 [0,0,0,0,0,2|1,0,0]=3 1757 B12R1.21 O=C(O)COC1=CC=C(I)C=C1 AK-88701 [0,0,0,0,0,2|1,0,0]=3 1758 B12R1.21 O=C(O)\C=C\C1=CC=C(N)N=C1 AK-86690 [0,0,0,0,0,2|2,0,0]=4 1759 B12R1.21 O=C([O-])COC1=CC=C(Cl)C=C1 AK117329 [0,0,0,0,0,2|1,0,1]=4 1760 B12R1.21 OC(=O)C=CC1=CC=C(Br)C=C1 AK-45694 [0,0,0,0,0,2|1,0,0]=3 1761 B12R1.21 OC(=O)C=CC1=CC=C(Br)N=C1 AK-80564 [0,0,0,0,0,2|2,0,0]=4 1762 B12R1.21 OC(=O)C=CC1=CC=C(Cl)C=C1 AK-60979 [0,0,0,0,0,2|1,0,0]=3 1763 B12R1.21 OC(=O)C=CC1=NC=C(F)C=C1 AK103268 [0,0,0,0,0,2|2,0,0]=4