0 B11R1.22 BrC1=CN=C(C=N1)C(=O)OC AK-24801 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.22 C1=C(C=CC(=C1)Br)C(OC)=O AK-47340 [0,0,0,0,0,0|1,0,0]=1 2 B11R1.22 C1=C(C=CC(=C1)C)C(CBr)=O AK-73063 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.22 C1=C(C=CC(=C1)Cl)C(CC)=O AK-47430 [0,0,0,0,0,0|2,0,0]=2 4 B11R1.22 C1=C(C=CC(=C1)N)C(OC)=O AK-48394 [0,0,0,0,0,0|1,0,0]=1 5 B11R1.22 C1=CC(=CN=C1C(OC)=O)Br AK-25721 [0,0,0,0,0,0|2,0,0]=2 6 B11R1.22 C1=CC(=NC=C1C(OC)=O)Cl AK-32450 [0,0,0,0,0,0|2,0,0]=2 7 B11R1.22 C1=NC(=CC=C1C(=O)OC)Br AK-27762 [0,0,0,0,0,0|2,0,0]=2 8 B11R1.22 CCC(C1=CC=C(Br)C=C1)=O AK133038 [0,0,0,0,0,0|2,0,0]=2 9 B11R1.22 CCC(C1=CC=C(Br)C=C1)N AK116183 [0,0,0,0,0,0|3,0,1]=4 10 B11R1.22 CCC(C1=CC=C(F)C=C1)=O AK-77665 [0,0,0,0,0,0|2,0,0]=2 11 B11R1.22 CCC(C1=CC=C(I)C=C1)=O AK149241 [0,0,0,0,0,0|2,0,0]=2 12 B11R1.22 CCC(C1=CC=C(O)C=C1)=O AK-44068 [0,0,0,0,0,0|1,0,0]=1 13 B11R1.22 CC[C@@H](C1=CC=C(Br)C=C1)N AK607954 [0,0,0,0,0,0|3,0,1]=4 14 B11R1.22 CC[C@@H](C1=CC=C(Cl)C=C1)N AK-53923 [0,0,0,0,0,0|3,0,1]=4 15 B11R1.22 CC[C@H](C1=CC=C(Br)C=C1)N AK172711 [0,0,0,0,0,0|3,0,1]=4 16 B11R1.22 CC[C@H](C1=CC=C(C)C=C1)N AK-93290 [0,0,0,0,0,0|3,0,1]=4 17 B11R1.22 CC[C@H](C1=CC=C(Cl)C=C1)N AK133438 [0,0,0,0,0,0|3,0,1]=4 18 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 AK-42930 [0,0,0,0,0,0|2,0,0]=2 19 B11R1.22 COC(=O)C1=CC=C(Cl)C=C1 AK-57163 [0,0,0,0,0,0|1,0,0]=1 20 B11R1.22 COC(=O)C1=CN=C(Cl)N=C1 AK-25021 [0,0,0,0,0,0|3,0,0]=3 21 B11R1.22 COC(C1=NC=C(C=N1)Br)=O AK-28412 [0,0,0,0,0,0|3,0,0]=3 22 B11R1.22 C[C@@H](NC)C1=CC=C(Cl)C=C1 AK607981 [0,0,0,0,0,0|3,0,1]=4 23 B11R1.22 C[C@H](NC)C1=CC=C(Br)C=C1 AK172763 [0,0,0,0,0,0|3,0,1]=4 24 B11R1.22 C[C@H](NC)C1=CC=C(Cl)C=C1 AK607980 [0,0,0,0,0,0|3,0,1]=4 25 B11R1.22 ClC1=CC=C(C(CN)=O)C=C1 AK-27718 [0,0,0,0,0,0|3,0,0]=3 26 B11R1.22 ClC1=CC=C(C=C1)C(=O)C=O AK-10005 [0,0,0,0,0,0|3,0,0]=3 27 B11R1.22 ClC1=CC=C(N=N1)C(=O)OC AK-24016 [0,0,0,0,0,0|3,0,0]=3 28 B11R1.22 ClC1=CN=C(C=N1)C(=O)OC AK-23920 [0,0,0,0,0,0|3,0,0]=3 29 B11R1.22 FC1=CC=C(C=N1)C(=O)OC AK-40001 [0,0,0,0,0,0|2,0,0]=2 30 B11R1.22 IC1=CC=C(C(CBr)=O)C=C1 AK-25760 [0,0,0,0,0,0|3,0,0]=3 31 B11R1.22 N1C=C(C(=O)NN)C=CC1=O AK-25381 [0,0,0,0,0,0|3,0,1]=4 32 B11R1.22 NC(C1=CC=C(F)C=C1)CC AK470003 [0,0,0,0,0,0|3,0,1]=4 33 B11R1.22 NC1=CC=C(C(C)CC)C=C1 AK-76838 [0,0,0,0,0,0|3,0,1]=4 34 B11R1.22 NC1=CN=C(C=C1)C(=O)OC AK-24592 [0,0,0,0,0,0|2,0,0]=2 35 B11R1.22 NC1=NC=C(C=N1)C(=O)OC AK-21981 [0,0,0,0,0,0|3,0,0]=3 36 B11R1.22 NCC(=O)C1=CC=C(C=C1)F AK-32227 [0,0,0,0,0,0|3,0,0]=3 37 B11R1.22 NCC(=O)C1=CC=C(O)C=C1 AK101127 [0,0,0,0,0,0|2,0,0]=2 38 B11R1.22 NCC(C1=CC=C(Br)C=C1)=O AK-42272 [0,0,0,0,0,0|3,0,0]=3 39 B11R1.22 NCC(O)C1=CC=C(O)C=C1 AK163650 [0,0,0,0,0,0|2,0,2]=4 40 B11R1.22 NNC(=O)C1=CC=C(F)C=C1 AK-76998 [0,0,0,0,0,0|3,0,0]=3 41 B11R1.22 N[C@@H](C1=CC=C(F)C=C1)CC AK-42100 [0,0,0,0,0,0|3,0,1]=4 42 B11R1.22 N[C@H](C1=CC=C(F)C=C1)CC AK-42091 [0,0,0,0,0,0|3,0,1]=4 43 B11R1.22 O=C(C1=CC=C(Br)C=C1)CCl AK-41703 [0,0,0,0,0,0|3,0,0]=3 44 B11R1.22 O=C(C1=CC=C(F)C=C1)C=O AK-10004 [0,0,0,0,0,0|3,0,0]=3 45 B11R1.22 O=C(C1=CN=C(Cl)N=C1)NC AK106982 [0,0,0,0,0,0|4,0,0]=4 46 B11R1.22 O=C(C1=CNC(N=C1)=O)OC AK138906 [0,0,0,0,0,0|2,0,1]=3 47 B11R1.22 O=C(C1=COC(C=C1)=O)OC AK-94193 [0,0,0,0,0,0|1,0,1]=2 48 B11R1.22 O=C(C1=NC=C(Cl)C=C1)OC AK-33121 [0,0,0,0,0,0|2,0,0]=2 49 B11R1.22 O=C(C1=NC=C(F)C=N1)OC AK128119 [0,0,0,0,0,0|3,0,0]=3 50 B11R1.22 O=C(C1=NC=C(N)N=C1)OC AK-59002 [0,0,0,0,0,0|3,0,0]=3 51 B11R1.22 O=C(C1=NC=C(O)C=C1)OC AK-48134 [0,0,0,0,0,0|1,0,0]=1 52 B11R1.22 O=C(NC)C1=CC=C(Br)C=C1 AK-86242 [0,0,0,0,0,0|2,0,0]=2 53 B11R1.22 O=C(NC)C1=CN=C(Cl)C=C1 AK-41767 [0,0,0,0,0,0|3,0,0]=3 54 B11R1.22 O=C(NN)C1=NC=C(F)C=C1 AK-97226 [0,0,0,0,0,0|4,0,0]=4 55 B11R1.22 O=C(OC)C1=CC=C(C)C=C1 AK110414 [0,0,0,0,0,0|1,0,0]=1 56 B11R1.22 O=C(OC)C1=CC=C(F)C=C1 AK-45398 [0,0,0,0,0,0|1,0,0]=1 57 B11R1.22 O=C(OC)C1=CC=C(I)C=C1 AK-45406 [0,0,0,0,0,0|1,0,0]=1 58 B11R1.22 O=C(OC)C1=CC=C(O)C=C1 AK-54335 [0,0,0,0,0,0|0,0,0]=0 59 B11R1.22 O=C(OC)C1=CN=C(C)C=C1 AK-28562 [0,0,0,0,0,0|2,0,0]=2 60 B11R1.22 O=C(OC)C1=CN=C(N)C=C1 AK-25008 [0,0,0,0,0,0|2,0,0]=2 61 B11R1.22 O=C(OC)C1=CN=C(O)C=C1 AK-26234 [0,0,0,0,0,0|1,0,0]=1 62 B11R1.22 O=C(OC)C1=NC=C(C)C=C1 AK-76225 [0,0,0,0,0,0|2,0,0]=2 63 B11R1.22 O=C1NN=C(C=C1)C(=O)OC AK-72777 [0,0,0,0,0,0|2,0,1]=3 64 B11R1.22 OC1=CC=C(C(C)CN)C=C1 AK-47813 [0,0,0,0,0,0|3,0,1]=4 65 B11R1.22 OC1=CC=C(C=C1)C(=O)CBr AK-34343 [0,0,0,0,0,0|2,0,0]=2 66 B11R1.22 OC1=CC=C([C@@H](N)CO)C=C1 AK544250 [0,0,0,0,0,0|3,0,1]=4 67 B11R1.22 OC1=CC=C([C@H](N)CO)C=C1 AK608028 [0,0,0,0,0,0|3,0,1]=4 68 B11R1.22 OC1=CN=C(C=N1)C(=O)OC AK-24812 [0,0,0,0,0,0|2,0,0]=2 69 B10R1.1 C1=C(C=CC(=C1)Br)CNC AK-16714 [1,0,0,0,0,0|2,0,1]=4 70 B10R1.1 C1=C(C=CC(=C1)Br)OCC AK-47317 [1,0,0,0,0,0|3,0,0]=4 71 B10R1.1 C1=C(C=CC(=C1)O)CCN AK-47332 [1,0,0,0,0,0|2,0,1]=4 72 B10R1.1 C1=CC(=CC=C1CCO)O AK-35340 [1,0,0,0,0,0|2,0,1]=4 73 B10R1.1 C1=CC(=CC=C1CNC)Cl AK-16704 [1,0,0,0,0,0|2,0,1]=4 74 B10R1.1 CCCC1=CC=C(Br)C=C1 AK-49955 [1,0,0,0,0,0|2,0,1]=4 75 B10R1.1 CCOC1=CC=C(I)C=C1 AK-46446 [1,0,0,0,0,0|3,0,0]=4 76 B10R1.1 CNCC1=CC=C(N)C=C1 AK-78884 [1,0,0,0,0,0|2,0,1]=4 77 B10R1.1 FC1=CC=C(C=C1)NCC AK113245 [1,0,0,0,0,0|3,0,0]=4 78 B10R1.1 N#CCC1=CC=C(O)C=C1 AK-33252 [1,0,0,0,0,0|2,0,1]=4 79 B10R1.1 NC1=CC=C(COC)C=C1 AK-78891 [1,0,0,0,0,0|1,0,1]=3 80 B10R1.1 NOCC1=CC=C(F)C=C1 AK-86671 [1,0,0,0,0,0|2,0,1]=4 81 B10R1.1 OC1=CC=C(CCBr)C=C1 AK-59257 [1,0,0,0,0,0|2,0,1]=4 82 B10R1.1 OC1=CC=C(CCC)C=C1 AK164480 [1,0,0,0,0,0|1,0,1]=3 83 B10R1.1 OC1=CC=C(COC)C=C1 AK-42631 [1,0,0,0,0,0|0,0,1]=2 84 B10R1.1 OC1=CC=C(OCC)C=C1 AK163223 [1,0,0,0,0,0|2,0,0]=3 85 B10R1.13 BrC1=CN=C(C=N1)C(=O)O AK-24192 [1,0,0,0,0,0|3,0,0]=4 86 B10R1.13 BrC1=CN=C(N=C1)C(=O)O AK-21808 [1,0,0,0,0,0|3,0,0]=4 87 B10R1.13 C(C)(=O)C1=CC=C(N=C1)Br AK-25404 [1,0,0,0,0,0|2,0,0]=3 88 B10R1.13 C1=C(B(O)O)C=CC(=C1)C AK-39805 [1,0,0,0,0,0|2,0,1]=4 89 B10R1.13 C1=C(C(=N)N)C=CC(=C1)Cl AK-49053 [1,0,0,0,0,0|3,0,0]=4 90 B10R1.13 C1=C(C(C)C)C=CC(=C1)Br AK-47451 [1,0,0,0,0,0|2,0,1]=4 91 B10R1.13 C1=C(C=CC(=C1)Br)B(O)O AK-44722 [1,0,0,0,0,0|2,0,1]=4 92 B10R1.13 C1=C(C=CC(=C1)F)B(O)O AK-46490 [1,0,0,0,0,0|2,0,1]=4 93 B10R1.13 C1=C(C=CC(=C1)O)B(O)O AK-44804 [1,0,0,0,0,0|1,0,1]=3 94 B10R1.13 C1=C(C=NC(=C1)N)C(=O)O AK-25111 [1,0,0,0,0,0|2,0,0]=3 95 B10R1.13 C1=C(N(C)C)C=CC(=C1)Br AK-47628 [1,0,0,0,0,0|3,0,0]=4 96 B10R1.13 C1=C(N=CC(=C1)C(C)=O)C AK-25853 [1,0,0,0,0,0|2,0,0]=3 97 B10R1.13 C1=CC(=CC=C1C(C)=O)F AK-41690 [1,0,0,0,0,0|1,0,0]=2 98 B10R1.13 C1=CC(=CC=C1C(N)=O)F AK-47676 [1,0,0,0,0,0|2,0,0]=3 99 B10R1.13 C1=CC(=CC=C1C(O)=O)Br AK-50463 [1,0,0,0,0,0|1,0,0]=2 100 B10R1.13 C1=CC(=CC=C1C(O)=O)F AK-73077 [1,0,0,0,0,0|1,0,0]=2 101 B10R1.13 C1=CC(=CN=C1C(O)=O)C AK-27814 [1,0,0,0,0,0|2,0,0]=3 102 B10R1.13 C1=CC(=NC=C1C(N)=O)C AK-48877 [1,0,0,0,0,0|3,0,0]=4 103 B10R1.13 C1=NC(=CC=C1C(=O)O)F AK-25936 [1,0,0,0,0,0|2,0,0]=3 104 B10R1.13 C1=NC(=CN=C1C(=O)O)Cl AK-24710 [1,0,0,0,0,0|3,0,0]=4 105 B10R1.13 CC(=O)C1=CC=C(N)N=C1 AK-67650 [1,0,0,0,0,0|2,0,0]=3 106 B10R1.13 CC(Br)C1=CC=C(F)C=C1 AK-94758 [1,0,0,0,0,0|2,0,1]=4 107 B10R1.13 CC(C1=CC=C(Br)C=C1)=O AK124422 [1,0,0,0,0,0|1,0,0]=2 108 B10R1.13 CC(C1=CC=C(C)C=C1)=O AK-41305 [1,0,0,0,0,0|1,0,0]=2 109 B10R1.13 CC(C1=CC=C(F)N=C1)=O AK-29672 [1,0,0,0,0,0|2,0,0]=3 110 B10R1.13 CC(C1=CC=C(N)C=C1)=O AK110424 [1,0,0,0,0,0|1,0,0]=2 111 B10R1.13 CC(C1=CC=C(O)C=C1)=O AK-86441 [1,0,0,0,0,0|0,0,0]=1 112 B10R1.13 CC(C1=CC=C(O)N=C1)=O AK-40333 [1,0,0,0,0,0|1,0,0]=2 113 B10R1.13 CC(C1=CN=C(Cl)N=C1)=O AK135579 [1,0,0,0,0,0|3,0,0]=4 114 B10R1.13 CC(C1=NC=C(Br)C=C1)=O AK-28454 [1,0,0,0,0,0|2,0,0]=3 115 B10R1.13 CC(C1=NC=C(Br)C=N1)=O AK129384 [1,0,0,0,0,0|3,0,0]=4 116 B10R1.13 CC(C1=NC=C(Cl)C=C1)=O AK-77099 [1,0,0,0,0,0|2,0,0]=3 117 B10R1.13 CC(C1=NC=C(Cl)N=C1)=O AK-42149 [1,0,0,0,0,0|3,0,0]=4 118 B10R1.13 CC(C1=NC=C(O)C=C1)=O AK116053 [1,0,0,0,0,0|1,0,0]=2 119 B10R1.13 CC(C1=NC=C(O)N=C1)=O AK134806 [1,0,0,0,0,0|2,0,0]=3 120 B10R1.13 CC(N)C1=CC=C(I)C=C1 AK-77292 [1,0,0,0,0,0|2,0,1]=4 121 B10R1.13 CC(O)C1=CC=C(Br)C=C1 AK117026 [1,0,0,0,0,0|1,0,2]=4 122 B10R1.13 CC(O)C1=CC=C(N)C=C1 AK109742 [1,0,0,0,0,0|1,0,2]=4 123 B10R1.13 CC1=CC=C(S(O)=O)C=C1 AK-46949 [1,0,0,0,0,0|2,0,0]=3 124 B10R1.13 CC1=NC=C(C=N1)C(=O)O AK-25207 [1,0,0,0,0,0|3,0,0]=4 125 B10R1.13 CN(C)C1=CC=C(C=C1)I AK101968 [1,0,0,0,0,0|3,0,0]=4 126 B10R1.13 CN(C)C1=CC=C(Cl)C=C1 AK136579 [1,0,0,0,0,0|3,0,0]=4 127 B10R1.13 CN(C)C1=CC=C(O)C=C1 AK-64702 [1,0,0,0,0,0|2,0,0]=3 128 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 AK-45030 [1,0,0,0,0,0|2,0,1]=4 129 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 AK-89611 [1,0,0,0,0,0|2,0,1]=4 130 B10R1.13 C[C@@H](N)C1=CC=C(I)C=C1 AK-43006 [1,0,0,0,0,0|2,0,1]=4 131 B10R1.13 C[C@@H](O)C1=CC=C(Br)C=C1 AK-79215 [1,0,0,0,0,0|1,0,2]=4 132 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 AK-34471 [1,0,0,0,0,0|2,0,1]=4 133 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 AK548805 [1,0,0,0,0,0|2,0,1]=4 134 B10R1.13 C[C@H](O)C1=CC=C(Br)C=C1 AK-79189 [1,0,0,0,0,0|1,0,2]=4 135 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 AK-79216 [1,0,0,0,0,0|1,0,2]=4 136 B10R1.13 ClC1=CC=C(B(O)O)C=C1 AK-26616 [1,0,0,0,0,0|2,0,1]=4 137 B10R1.13 ClC1=CC=C(C(C)=O)C=N1 AK-26129 [1,0,0,0,0,0|2,0,0]=3 138 B10R1.13 ClC1=CC=C(N=C1)C(=O)O AK-26702 [1,0,0,0,0,0|2,0,0]=3 139 B10R1.13 ClC1=CC=C(N=N1)C(=O)O AK-23862 [1,0,0,0,0,0|3,0,0]=4 140 B10R1.13 FC1=CC=C(N=C1)C(=O)O AK-28724 [1,0,0,0,0,0|2,0,0]=3 141 B10R1.13 IC1=CC=C(B(O)O)C=C1 AK-24763 [1,0,0,0,0,0|2,0,1]=4 142 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 AK-89169 [1,0,0,0,0,0|3,0,0]=4 143 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 AK107083 [1,0,0,0,0,0|3,0,0]=4 144 B10R1.13 N=C(N)C1=CC=C(F)C=C1 AK-35244 [1,0,0,0,0,0|3,0,0]=4 145 B10R1.13 N=C(N)C1=CC=C(N)C=C1 AK-34349 [1,0,0,0,0,0|3,0,0]=4 146 B10R1.13 N=C(N)C1=CC=C(O)C=C1 AK-16801 [1,0,0,0,0,0|2,0,0]=3 147 B10R1.13 NC(=O)C1=CC=C(Br)C=C1 AK-76760 [1,0,0,0,0,0|2,0,0]=3 148 B10R1.13 NC1=CC=C(B(O)O)C=C1 AK-44817 [1,0,0,0,0,0|2,0,1]=4 149 B10R1.13 NC1=CC=C([N+]([O-])=O)C=C1 AK136006 [1,0,0,0,0,0|2,0,1]=4 150 B10R1.13 NC1=CN=C(C=C1)C(=O)O AK-25651 [1,0,0,0,0,0|2,0,0]=3 151 B10R1.13 NC1=CN=C(N=C1)C(O)=O AK-29407 [1,0,0,0,0,0|3,0,0]=4 152 B10R1.13 NC1=NC=C(N=C1)C(=O)O AK-24195 [1,0,0,0,0,0|3,0,0]=4 153 B10R1.13 N[C@@H](C1=CC=C(Br)C=C1)C AK-35249 [1,0,0,0,0,0|2,0,1]=4 154 B10R1.13 N[C@@H](C1=CC=C(C)C=C1)C AK-45033 [1,0,0,0,0,0|2,0,1]=4 155 B10R1.13 N[C@H](C1=CC=C(F)C=C1)C AK-98664 [1,0,0,0,0,0|2,0,1]=4 156 B10R1.13 O=C(C1=CC=C(Cl)N=C1)N AK-44668 [1,0,0,0,0,0|3,0,0]=4 157 B10R1.13 O=C(C1=CN=C(Cl)N=C1)O AK-25020 [1,0,0,0,0,0|3,0,0]=4 158 B10R1.13 O=C(C1=CN=C(N)N=C1)O AK-17303 [1,0,0,0,0,0|3,0,0]=4 159 B10R1.13 O=C(C1=CN=C(O)N=C1)O AK-55017 [1,0,0,0,0,0|2,0,0]=3 160 B10R1.13 O=C(C1=CNC(C=N1)=O)O AK-24756 [1,0,0,0,0,0|2,0,1]=4 161 B10R1.13 O=C(C1=NC=C(Br)C=C1)N AK-36812 [1,0,0,0,0,0|3,0,0]=4 162 B10R1.13 O=C(C1=NC=C(Br)C=C1)O AK-25747 [1,0,0,0,0,0|2,0,0]=3 163 B10R1.13 O=C(C1=NC=C(C)C=N1)O AK-29650 [1,0,0,0,0,0|3,0,0]=4 164 B10R1.13 O=C(C1=NC=C(N)C=C1)N AK-40127 [1,0,0,0,0,0|3,0,0]=4 165 B10R1.13 O=C(C1=NC=C(O)C=N1)O AK-40704 [1,0,0,0,0,0|2,0,0]=3 166 B10R1.13 O=C(C1=NN=C(N)C=C1)O AK-26163 [1,0,0,0,0,0|3,0,0]=4 167 B10R1.13 O=C(C1=NN=C(O)C=C1)O AK-25880 [1,0,0,0,0,0|2,0,0]=3 168 B10R1.13 O=C(C1=NN=C(O)C=C1)O AK601861 [1,0,0,0,0,0|2,0,0]=3 169 B10R1.13 O=C(N)C1=CC=C(Cl)C=C1 AK113058 [1,0,0,0,0,0|2,0,0]=3 170 B10R1.13 O=C(N)C1=CC=C(N)C=C1 AK151254 [1,0,0,0,0,0|2,0,0]=3 171 B10R1.13 O=C(N)C1=CC=C(O)C=C1 AK151255 [1,0,0,0,0,0|1,0,0]=2 172 B10R1.13 O=C(N)C1=CN=C(Br)C=C1 AK-41744 [1,0,0,0,0,0|3,0,0]=4 173 B10R1.13 O=C(N)C1=CN=C(N)C=C1 AK161454 [1,0,0,0,0,0|3,0,0]=4 174 B10R1.13 O=C(N)C1=NC=C(Cl)C=C1 AK142780 [1,0,0,0,0,0|3,0,0]=4 175 B10R1.13 O=C(N)C1=NC=C(F)C=C1 AK110171 [1,0,0,0,0,0|3,0,0]=4 176 B10R1.13 O=C(O)C1=CC=C(C)C=C1 AK106262 [1,0,0,0,0,0|1,0,0]=2 177 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 AK-44086 [1,0,0,0,0,0|1,0,0]=2 178 B10R1.13 O=C(O)C1=CC=C(I)C=C1 AK-73094 [1,0,0,0,0,0|1,0,0]=2 179 B10R1.13 O=C(O)C1=CC=C(N)C=C1 AK-41178 [1,0,0,0,0,0|1,0,0]=2 180 B10R1.13 O=C(O)C1=CC=C(O)C=C1 AK106263 [1,0,0,0,0,0|0,0,0]=1 181 B10R1.13 O=C(O)C1=CN=C(C)C=C1 AK-29149 [1,0,0,0,0,0|2,0,0]=3 182 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 AK-26081 [1,0,0,0,0,0|2,0,0]=3 183 B10R1.13 O=C(O)C1=CNC(C=C1)=O AK-26034 [1,0,0,0,0,0|1,0,1]=3 184 B10R1.13 O=C(O)C1=NC=C(O)C=C1 AK-24769 [1,0,0,0,0,0|1,0,0]=2 185 B10R1.13 O=C([O-])C1=CC=C(N)C=C1 AK116649 [1,0,0,0,0,0|1,0,1]=3 186 B10R1.13 O=C([O-])C1=CC=C(O)C=C1 AK306852 [1,0,0,0,0,0|0,0,1]=2 187 B10R1.13 O=C1C=CC(C(O)=O)=CO1 AK-46024 [1,0,0,0,0,0|1,0,1]=3 188 B10R1.13 O=S(C1=CC=C(C)C=C1)O AK143296 [1,0,0,0,0,0|2,0,0]=3 189 B10R1.13 O=S(C1=CC=C(C)C=C1)[O-] AK106973 [1,0,0,0,0,0|2,0,1]=4 190 B10R1.13 O=S(C1=CC=C(F)C=C1)[O-] AK114760 [1,0,0,0,0,0|2,0,1]=4 191 B10R1.13 O=[S@@](C1=CC=C(C)C=C1)N AK-81446 [1,0,0,0,0,0|3,0,0]=4 192 B10R1.13 OB(C1=CC=C(O)N=C1)O AK-40749 [1,0,0,0,0,0|2,0,1]=4 193 B10R1.13 OB(C1=CC=C(S)C=C1)O AK-41540 [1,0,0,0,0,0|1,1,1]=4 194 B10R1.13 OC(=O)C1=CC=C(Br)N=C1 AK-26208 [1,0,0,0,0,0|2,0,0]=3 195 B10R1.13 OC(=O)C1=NC=C(Cl)C=N1 AK-64297 [1,0,0,0,0,0|3,0,0]=4 196 B10R1.13 OC(=O)C1=NC=C(I)C=C1 AK-29144 [1,0,0,0,0,0|2,0,0]=3 197 B10R1.13 OC1=CC=C(C(=S)N)C=C1 AK-21819 [1,0,0,0,0,0|1,1,0]=3 198 B10R1.13 OC1=CC=C(C(C)=C)C=C1 AK117164 [1,0,0,0,0,0|1,0,0]=2 199 B10R1.13 OC1=CC=C(C(O)C)C=C1 AK-45202 [1,0,0,0,0,0|0,0,2]=3 200 B10R1.13 OC1=CC=C(C=C1)C(F)F AK-76781 [1,0,0,0,0,0|2,0,1]=4 201 B10R1.13 OC1=CC=C(N(C)C)C=C1 AK103764 [1,0,0,0,0,0|2,0,0]=3 202 B10R1.13 OC1=CC=C([C@H](N)C)C=C1 AK608003 [1,0,0,0,0,0|1,0,1]=3 203 B10R1.13 OC1=CN=C(C=C1)[N+](=O)[O-] AK-23835 [1,0,0,0,0,0|2,0,1]=4 204 B10R1.15 C1=C(C(OC)=O)C=CN=C1 AK-46755 [1,0,0,0,0,0|1,0,0]=2 205 B10R1.15 C1=C(C(OC)=O)N=CC=C1 AK-46574 [1,0,0,0,0,0|1,0,0]=2 206 B10R1.15 C1=CC=NC=C1C(OC)=O AK-47410 [1,0,0,0,0,0|1,0,0]=2 207 B10R1.15 C1=NC=CN=C1C(OC)=O AK-47365 [1,0,0,0,0,0|2,0,0]=3 208 B10R1.15 C[C@@H](NC)C1=CC=CC=C1 AK140531 [1,0,0,0,0,0|2,0,1]=4 209 B10R1.15 N1=NC=C(C=C1)C(=O)OC AK-48857 [1,0,0,0,0,0|2,0,0]=3 210 B10R1.15 NCC(C1=CC=CC=C1)=O AK-26107 [1,0,0,0,0,0|2,0,0]=3 211 B10R1.15 NNC(=O)C1=CC=NC=C1 AK-46317 [1,0,0,0,0,0|3,0,0]=4 212 B10R1.15 NNC(C1=CC=CN=C1)=O AK-44810 [1,0,0,0,0,0|3,0,0]=4 213 B10R1.15 O=C(C1=NC=CC=C1)CBr AK-44981 [1,0,0,0,0,0|3,0,0]=4 214 B10R1.15 O=C(C1=NC=CC=N1)OC AK-24352 [1,0,0,0,0,0|2,0,0]=3 215 B10R1.15 O=C(C1=NN=CC=C1)OC AK-68100 [1,0,0,0,0,0|2,0,0]=3 216 B10R1.15 O=C(NC)C1=CC=CC=C1 AK323662 [1,0,0,0,0,0|1,0,0]=2 217 B10R1.15 O=C(NN)C1=NC=CC=C1 AK117449 [1,0,0,0,0,0|3,0,0]=4 218 B10R1.15 O=S(C1=CC=CC=C1)OC AK109245 [1,0,0,0,0,0|1,0,0]=2 219 B10R1.15 OCC(=O)C1=CC=CC=C1 AK-94786 [1,0,0,0,0,0|2,0,0]=3 220 B12R1.5 C(=O)C1=NC=C(C(=O)OC)C=C1 AK-30222 [0,1,0,0,0,0|1,0,1]=3 221 B12R1.5 C(C)C1=CC=C(C=C1)C(=O)C=O AK-10028 [0,1,0,0,0,0|3,0,0]=4 222 B12R1.5 C1=C(C(OC)=O)C=CC(=C1)C=O AK-30551 [0,1,0,0,0,0|0,0,1]=2 223 B12R1.5 C1=CC(=CC=C1C(OC)=O)C#N AK-46102 [0,1,0,0,0,0|1,0,0]=2 224 B12R1.5 C1=CC(=CC=C1OC)C(OC)=O AK-46595 [0,1,0,0,0,0|0,0,0]=1 225 B12R1.5 CCC(C1=CC=C(CC)C=C1)=O AK-94191 [0,1,0,0,0,0|2,0,0]=3 226 B12R1.5 CCC1=CC=C(C=C1)C(=O)CBr AK110622 [0,1,0,0,0,0|3,0,0]=4 227 B12R1.5 CC[C@@H](C1=CC=C(OC)C=C1)N AK134097 [0,1,0,0,0,0|2,0,1]=4 228 B12R1.5 COC(=O)C1=CC=C(CCl)C=C1 AK-46926 [0,1,0,0,0,0|1,0,0]=2 229 B12R1.5 COC(=O)C1=CN=C(C=O)C=N1 AK-89118 [0,1,0,0,0,0|2,0,1]=4 230 B12R1.5 COC(=O)C1=CN=C(CBr)C=C1 AK-49350 [0,1,0,0,0,0|2,0,0]=3 231 B12R1.5 COC(=O)C1=NC=C(N=C1)CBr AK-39552 [0,1,0,0,0,0|3,0,0]=4 232 B12R1.5 COC(C1=CN=C(C=C1)CO)=O AK-23866 [0,1,0,0,0,0|1,0,0]=2 233 B12R1.5 COC1=CC=C(C(CBr)=O)C=C1 AK114282 [0,1,0,0,0,0|2,0,0]=3 234 B12R1.5 O=C(NC)C1=CC=C(OC)C=C1 AK120611 [0,1,0,0,0,0|1,0,0]=2 235 B12R1.5 O=C(NN)C1=CC=C(C#N)C=C1 AK-92904 [0,1,0,0,0,0|3,0,0]=4 236 B12R1.5 O=C(OC)C1=CC=C(C#C)C=C1 AK-88481 [0,1,0,0,0,0|1,0,0]=2 237 B12R1.5 O=C(OC)C1=CC=C(CN)C=C1 AK-46915 [0,1,0,0,0,0|1,0,0]=2 238 B12R1.5 O=C(OC)C1=CC=C(NN)C=C1 AK165897 [0,1,0,0,0,0|1,0,0]=2 239 B12R1.5 O=C(OC)C1=CN=C(C#C)C=C1 AK151766 [0,1,0,0,0,0|2,0,0]=3 240 B12R1.5 O=C(OC)C1=CN=C(OC)C=C1 AK-29959 [0,1,0,0,0,0|1,0,0]=2 241 B12R1.5 O=C(OC)C1=NC=C(CBr)C=C1 AK153186 [0,1,0,0,0,0|2,0,0]=3 242 B12R1.9 CC1=CC=C(S(=O)(OC)=O)C=C1 AK-48103 [0,1,0,0,0,0|2,0,0]=3 243 B12R1.9 O=S(C1=CC=C(C)C=C1)(NC)=O AK117052 [0,1,0,0,0,0|3,0,0]=4 244 B12R1.9 O=S(C1=CC=C(F)C=C1)(NC)=O AK-92363 [0,1,0,0,0,0|3,0,0]=4 245 B12R1.16 BrC1=CN=C(C=N1)C(=O)OCC AK-24838 [0,1,0,0,0,0|3,0,0]=4 246 B12R1.16 BrC1=CN=C(N=C1)C(=O)OCC AK-28413 [0,1,0,0,0,0|3,0,0]=4 247 B12R1.16 C(C)OC(=O)C1=NC=C(C=C1)Br AK-26326 [0,1,0,0,0,0|2,0,0]=3 248 B12R1.16 C(C)OC(C1=CN=C(C=C1)Br)=O AK-25676 [0,1,0,0,0,0|2,0,0]=3 249 B12R1.16 C(OC(=O)C1=CNC(=O)C=C1)C AK-25535 [0,1,0,0,0,0|1,0,1]=3 250 B12R1.16 C1=C(C(OCC)=O)C=CC(=C1)Br AK-47339 [0,1,0,0,0,0|1,0,0]=2 251 B12R1.16 C1=CC(=CC=C1C(OCC)=O)F AK-46539 [0,1,0,0,0,0|1,0,0]=2 252 B12R1.16 CCCC(C1=CC=C(F)C=C1)=O AK324839 [0,1,0,0,0,0|2,0,0]=3 253 B12R1.16 CCCC(C1=CC=C(O)C=C1)=O AK114518 [0,1,0,0,0,0|1,0,0]=2 254 B12R1.16 CCOC(=O)C1=CC=C(C)N=C1 AK-47039 [0,1,0,0,0,0|2,0,0]=3 255 B12R1.16 CCOC(=O)C1=CN=C(Cl)C=C1 AK-29299 [0,1,0,0,0,0|2,0,0]=3 256 B12R1.16 CCOC(=O)C1=CNC(=O)N=C1 AK-48753 [0,1,0,0,0,0|2,0,1]=4 257 B12R1.16 COCC(C1=CC=C(O)C=C1)=O AK144287 [0,1,0,0,0,0|0,0,0]=1 258 B12R1.16 ClC1=NC=C(C=N1)C(=O)OCC AK-32391 [0,1,0,0,0,0|3,0,0]=4 259 B12R1.16 ClCCC(=O)C1=CC=C(Br)C=C1 AK-48143 [0,1,0,0,0,0|2,0,0]=3 260 B12R1.16 N#CCC(C1=CC=C(F)C=C1)=O AK-84420 [0,1,0,0,0,0|2,0,1]=4 261 B12R1.16 NC1=CN=C(C=N1)C(=O)OCC AK-24065 [0,1,0,0,0,0|3,0,0]=4 262 B12R1.16 O=C(C1=CC=C(Cl)C=C1)CC#N AK-42875 [0,1,0,0,0,0|2,0,1]=4 263 B12R1.16 O=C(C1=CN=C(C)N=C1)OCC AK-47037 [0,1,0,0,0,0|3,0,0]=4 264 B12R1.16 O=C(C1=CN=C(N)N=C1)OCC AK-50608 [0,1,0,0,0,0|3,0,0]=4 265 B12R1.16 O=C(C1=NC=C(C)N=C1)OCC AK-68294 [0,1,0,0,0,0|3,0,0]=4 266 B12R1.16 O=C(C1=NC=C(Cl)N=C1)OCC AK104858 [0,1,0,0,0,0|3,0,0]=4 267 B12R1.16 O=C(OCC)C1=CC=C(Cl)C=C1 AK109118 [0,1,0,0,0,0|1,0,0]=2 268 B12R1.16 O=C(OCC)C1=CC=C(I)C=C1 AK-43962 [0,1,0,0,0,0|1,0,0]=2 269 B12R1.16 O=C(OCC)C1=CC=C(N)C=C1 AK-46733 [0,1,0,0,0,0|1,0,0]=2 270 B12R1.16 O=C(OCC)C1=CC=C(O)C=C1 AK-49315 [0,1,0,0,0,0|0,0,0]=1 271 B12R1.16 O=C(OCC)C1=CN=C(N)C=C1 AK-32375 [0,1,0,0,0,0|2,0,0]=3 272 B12R1.16 O=C(OCC)C1=NC=C(C)C=C1 AK-68218 [0,1,0,0,0,0|2,0,0]=3 273 B12R1.16 O=C(OCC)C1=NC=C(N)C=C1 AK112557 [0,1,0,0,0,0|2,0,0]=3 274 B12R1.16 OC1=CC=C(C(O)CNC)C=C1 AK-72983 [0,1,0,0,0,0|1,0,2]=4 275 B12R1.20 C1=C(C(C(O)O)=O)C=CC(=C1)Br AK-10006 [0,1,0,0,0,0|3,0,0]=4 276 B12R1.20 CC(C)C(C1=CC=C(Br)C=C1)=O AK106568 [0,1,0,0,0,0|2,0,0]=3 277 B12R1.20 CC(C)C(C1=CC=C(Cl)C=C1)=O AK163961 [0,1,0,0,0,0|2,0,0]=3 278 B12R1.20 CC1=CC=C(C=C1)C(=O)C(O)O AK-10007 [0,1,0,0,0,0|3,0,0]=4 279 B12R1.20 O=C(N(C)C)C1=CN=C(Cl)C=C1 AK111806 [0,1,0,0,0,0|3,0,0]=4 280 B12R1.367 BrC1=C(C=C(C(=O)OC)C=C1)O AK-46937 [0,1,0,0,0,0|1,0,0]=2 281 B12R1.367 C1=C(C(=CC=C1C(OC)=O)C)N AK-47538 [0,1,0,0,0,0|1,0,0]=2 282 B12R1.367 C1=C(C(=O)OC)C=NC(=C1Br)Cl AK-23917 [0,1,0,0,0,0|2,0,0]=3 283 B12R1.367 C1=C(C(OC)=O)C=CC(=C1N)N AK-49131 [0,1,0,0,0,0|1,0,0]=2 284 B12R1.367 C1=C(C=CC(=C1Br)C)C(OC)=O AK-47512 [0,1,0,0,0,0|1,0,0]=2 285 B12R1.367 C1=C(C=CC(=C1C)Br)C(OC)=O AK-32180 [0,1,0,0,0,0|1,0,0]=2 286 B12R1.367 CCC(C1=CC=C(C)C(C)=C1)=O AK-63917 [0,1,0,0,0,0|2,0,0]=3 287 B12R1.367 CCC(C1=CC=C(F)C(F)=C1)=O AK115109 [0,1,0,0,0,0|2,0,0]=3 288 B12R1.367 COC(=O)C1=CC(Br)=C(F)C=C1 AK-81963 [0,1,0,0,0,0|1,0,0]=2 289 B12R1.367 COC(=O)C1=CC(Br)=C(I)C=C1 AK-80259 [0,1,0,0,0,0|1,0,0]=2 290 B12R1.367 COC(=O)C1=CC(Br)=C(N)C=C1 AK-32787 [0,1,0,0,0,0|1,0,0]=2 291 B12R1.367 COC(=O)C1=CC(C)=C(I)C=C1 AK-26110 [0,1,0,0,0,0|1,0,0]=2 292 B12R1.367 COC(=O)C1=CC(Cl)=C(N)C=C1 AK-86922 [0,1,0,0,0,0|1,0,0]=2 293 B12R1.367 COC(=O)C1=CC(I)=C(N)C=C1 AK-61655 [0,1,0,0,0,0|1,0,0]=2 294 B12R1.367 COC(=O)C1=CC(O)=C(Cl)C=C1 AK-76886 [0,1,0,0,0,0|1,0,0]=2 295 B12R1.367 COC(=O)C1=CN=C(Cl)C(C)=N1 AK-89438 [0,1,0,0,0,0|3,0,0]=4 296 B12R1.367 COC(=O)C1=COC(=O)C(Br)=C1 AK111325 [0,1,0,0,0,0|1,0,1]=3 297 B12R1.367 COC(C1=CC(=C(C=C1)Cl)F)=O AK-39900 [0,1,0,0,0,0|1,0,0]=2 298 B12R1.367 ClC1=C(C=CC(=C1)C(=O)C=O)Cl AK-10037 [0,1,0,0,0,0|3,0,0]=4 299 B12R1.367 ClC1=C(C=CC(=C1)C(=O)OC)F AK-72962 [0,1,0,0,0,0|1,0,0]=2 300 B12R1.367 ClC1=CC=C(C(CBr)=O)C=C1Cl AK-46858 [0,1,0,0,0,0|3,0,0]=4 301 B12R1.367 FC1=C(C=C(C(=O)OC)C=C1)C AK-46648 [0,1,0,0,0,0|1,0,0]=2 302 B12R1.367 NC1=C(C=CC(=C1)C(=O)OC)Br AK-35256 [0,1,0,0,0,0|1,0,0]=2 303 B12R1.367 NC1=C(C=CC(=C1)C(=O)OC)F AK-40058 [0,1,0,0,0,0|1,0,0]=2 304 B12R1.367 O=C(C1=CC=C(Br)C(N1)=O)OC AK100454 [0,1,0,0,0,0|2,0,0]=3 305 B12R1.367 O=C(C1=CC=C(F)C(F)=C1)C=O AK-10019 [0,1,0,0,0,0|3,0,0]=4 306 B12R1.367 O=C(OC)C1=CC=C(Br)C(F)=C1 AK-44121 [0,1,0,0,0,0|1,0,0]=2 307 B12R1.367 O=C(OC)C1=CC=C(C)C(F)=C1 AK-39787 [0,1,0,0,0,0|1,0,0]=2 308 B12R1.367 O=C(OC)C1=CC=C(Cl)C(C)=C1 AK117510 [0,1,0,0,0,0|1,0,0]=2 309 B12R1.367 O=C(OC)C1=CC=C(Cl)C(N)=C1 AK115355 [0,1,0,0,0,0|1,0,0]=2 310 B12R1.367 O=C(OC)C1=CC=C(I)C(N)=C1 AK-61810 [0,1,0,0,0,0|1,0,0]=2 311 B12R1.367 O=C(OC)C1=CC=C(I)C(O)=C1 AK-31800 [0,1,0,0,0,0|1,0,0]=2 312 B12R1.367 O=C(OC)C1=CC=C(N)C(C)=C1 AK-41505 [0,1,0,0,0,0|1,0,0]=2 313 B12R1.367 O=C(OC)C1=CC=C(N)C(F)=C1 AK-53872 [0,1,0,0,0,0|1,0,0]=2 314 B12R1.367 O=C(OC)C1=CC=C(N)C(O)=C1 AK-45500 [0,1,0,0,0,0|1,0,0]=2 315 B12R1.367 O=C(OC)C1=CC=C(O)C(Br)=C1 AK-68225 [0,1,0,0,0,0|0,0,0]=1 316 B12R1.367 O=C(OC)C1=CC=C(O)C(C)=C1 AK-78928 [0,1,0,0,0,0|0,0,0]=1 317 B12R1.367 O=C(OC)C1=CC=C(O)C(Cl)=C1 AK-82339 [0,1,0,0,0,0|0,0,0]=1 318 B12R1.367 O=C(OC)C1=CC=C(O)C(F)=C1 AK-79057 [0,1,0,0,0,0|0,0,0]=1 319 B12R1.367 O=C(OC)C1=CC=C(O)C(I)=C1 AK-47890 [0,1,0,0,0,0|0,0,0]=1 320 B12R1.367 O=C(OC)C1=CC=C(O)C(N)=C1 AK-76584 [0,1,0,0,0,0|0,0,0]=1 321 B12R1.367 O=C(OC)C1=CC=C(O)C(O)=C1 AK-73115 [0,1,0,0,0,0|0,0,0]=1 322 B12R1.367 O=C(OC)C1=CN=C(Br)C(C)=C1 AK-29742 [0,1,0,0,0,0|2,0,0]=3 323 B12R1.367 O=C(OC)C1=CN=C(Cl)C(Cl)=C1 AK123985 [0,1,0,0,0,0|2,0,0]=3 324 B12R1.367 O=C(OC)C1=CN=C(N)C(Br)=C1 AK-25058 [0,1,0,0,0,0|2,0,0]=3 325 B12R1.367 O=C(OC)C1=NC(Br)=C(N)C=C1 AK339630 [0,1,0,0,0,0|2,0,0]=3 326 B12R1.367 O=C(OC)C1=NC(C)=C(F)C=C1 AK-82789 [0,1,0,0,0,0|2,0,0]=3 327 B12R1.367 O=C(OC)C1=NC(Cl)=C(Br)C=C1 AK100450 [0,1,0,0,0,0|2,0,0]=3 328 B12R1.367 O=C(OC)C1=NC(Cl)=C(C)C=C1 AK-88627 [0,1,0,0,0,0|2,0,0]=3 329 B12R1.367 O=C(OC)C1=NC(N)=C(Br)C=C1 AK-51186 [0,1,0,0,0,0|2,0,0]=3 330 B12R1.367 O=C(OC)C1=NC(O)=C(O)C=C1 AK-26588 [0,1,0,0,0,0|1,0,0]=2 331 B12R1.367 O=C(OC)C1=NC=C(Br)C(C)=C1 AK-36736 [0,1,0,0,0,0|2,0,0]=3 332 B12R1.367 O=C(OC)C1=NC=C(C)C(Cl)=C1 AK-88624 [0,1,0,0,0,0|2,0,0]=3 333 B12R1.367 O=C(OC)C1=NC=C(N)C(N)=C1 AK-82285 [0,1,0,0,0,0|2,0,0]=3 334 B12R1.367 OC1=CC=C(C(CCl)=O)C=C1O AK-88433 [0,1,0,0,0,0|2,0,0]=3 335 B12R1.1703 BrC1=C(C(=O)OC)C=CC(=C1)C AK-46754 [0,1,0,0,0,0|1,0,0]=2 336 B12R1.1703 BrC1=CC(=C(C(=O)OC)C=C1)C AK-28097 [0,1,0,0,0,0|1,0,0]=2 337 B12R1.1703 BrC1=NC(=CN=C1C(=O)OC)Br AK-30888 [0,1,0,0,0,0|3,0,0]=4 338 B12R1.1703 C1=C(C(=CC(=C1)F)Cl)C(OC)=O AK-47401 [0,1,0,0,0,0|1,0,0]=2 339 B12R1.1703 C1=C(C(=CC(=C1)O)O)C(OC)=O AK-50554 [0,1,0,0,0,0|0,0,0]=1 340 B12R1.1703 C1=CC(=CC(=C1C(OC)=O)O)N AK-45502 [0,1,0,0,0,0|1,0,0]=2 341 B12R1.1703 COC(=O)C1=C(Br)C=C(F)C=C1 AK-46746 [0,1,0,0,0,0|1,0,0]=2 342 B12R1.1703 COC(=O)C1=C(C)C=C(I)C=C1 AK-77363 [0,1,0,0,0,0|1,0,0]=2 343 B12R1.1703 COC(=O)C1=C(F)C=C(Br)C=C1 AK-46835 [0,1,0,0,0,0|1,0,0]=2 344 B12R1.1703 COC(=O)C1=C(N)C=C(I)C=C1 AK-37605 [0,1,0,0,0,0|1,0,0]=2 345 B12R1.1703 COC(=O)C1=C(O)C=C(C)C=C1 AK-82342 [0,1,0,0,0,0|1,0,0]=2 346 B12R1.1703 COC(=O)C1=CC=C(C)C=C1N AK-61296 [0,1,0,0,0,0|1,0,0]=2 347 B12R1.1703 COC(=O)C1=CC=C(O)C=C1Cl AK-32726 [0,1,0,0,0,0|0,0,0]=1 348 B12R1.1703 COC(=O)C1=NC=C(C=C1C)Br AK-25600 [0,1,0,0,0,0|2,0,0]=3 349 B12R1.1703 COC(C1=C(C=C(C=C1)N)F)=O AK-75833 [0,1,0,0,0,0|1,0,0]=2 350 B12R1.1703 ClC1=C(N=NC(=C1)Cl)C(=O)OC AK-34901 [0,1,0,0,0,0|3,0,0]=4 351 B12R1.1703 ClC1=CC(=NC=C1C(=O)OC)Cl AK-23913 [0,1,0,0,0,0|2,0,0]=3 352 B12R1.1703 FC1=C(C(=O)OC)C=CC(=C1)O AK-41478 [0,1,0,0,0,0|0,0,0]=1 353 B12R1.1703 FC1=CC(=C(C(=O)OC)C=C1)O AK-49085 [0,1,0,0,0,0|1,0,0]=2 354 B12R1.1703 FC1=CC=C(C(CCl)=O)C(F)=C1 AK-51748 [0,1,0,0,0,0|3,0,0]=4 355 B12R1.1703 NC1=CC(=C(C(=O)OC)C=C1)C AK-46101 [0,1,0,0,0,0|1,0,0]=2 356 B12R1.1703 NC1=CC(=C(C(=O)OC)C=C1)Cl AK-40022 [0,1,0,0,0,0|1,0,0]=2 357 B12R1.1703 NC1=NC(=NC=C1C(=O)OC)Cl AK-39620 [0,1,0,0,0,0|3,0,0]=4 358 B12R1.1703 O=C(C1=CN=C(Cl)N=C1Cl)OC AK-25104 [0,1,0,0,0,0|3,0,0]=4 359 B12R1.1703 O=C(C1=CNC(NC1=O)=O)OC AK123201 [0,1,0,0,0,0|2,0,1]=4 360 B12R1.1703 O=C(C1=NC=C(Cl)N=C1Cl)OC AK-30887 [0,1,0,0,0,0|3,0,0]=4 361 B12R1.1703 O=C(C1=NN=C(O)C=C1O)OC AK-51407 [0,1,0,0,0,0|2,0,0]=3 362 B12R1.1703 O=C(NC)C1=CC=C(Br)C=C1F AK-98185 [0,1,0,0,0,0|2,0,0]=3 363 B12R1.1703 O=C(NC)C1=CC=C(N)C=C1F AK135551 [0,1,0,0,0,0|2,0,0]=3 364 B12R1.1703 O=C(OC)C1=C(C)N=C(F)C=C1 AK198785 [0,1,0,0,0,0|2,0,0]=3 365 B12R1.1703 O=C(OC)C1=C(Cl)N=C(C)C=C1 AK-28460 [0,1,0,0,0,0|2,0,0]=3 366 B12R1.1703 O=C(OC)C1=C(Cl)N=C(Cl)C=C1 AK-82618 [0,1,0,0,0,0|2,0,0]=3 367 B12R1.1703 O=C(OC)C1=CC=C(Br)C=C1Cl AK107560 [0,1,0,0,0,0|1,0,0]=2 368 B12R1.1703 O=C(OC)C1=CC=C(Br)C=C1N AK-53857 [0,1,0,0,0,0|1,0,0]=2 369 B12R1.1703 O=C(OC)C1=CC=C(Br)C=C1O AK-88441 [0,1,0,0,0,0|1,0,0]=2 370 B12R1.1703 O=C(OC)C1=CC=C(C)C=C1C AK140642 [0,1,0,0,0,0|1,0,0]=2 371 B12R1.1703 O=C(OC)C1=CC=C(Cl)C=C1Br AK-64354 [0,1,0,0,0,0|1,0,0]=2 372 B12R1.1703 O=C(OC)C1=CC=C(Cl)C=C1I AK201245 [0,1,0,0,0,0|1,0,0]=2 373 B12R1.1703 O=C(OC)C1=CC=C(Cl)C=C1N AK-72924 [0,1,0,0,0,0|1,0,0]=2 374 B12R1.1703 O=C(OC)C1=CC=C(Cl)C=C1O AK-46989 [0,1,0,0,0,0|1,0,0]=2 375 B12R1.1703 O=C(OC)C1=CC=C(F)C=C1C AK-63369 [0,1,0,0,0,0|1,0,0]=2 376 B12R1.1703 O=C(OC)C1=CC=C(F)C=C1F AK-39185 [0,1,0,0,0,0|1,0,0]=2 377 B12R1.1703 O=C(OC)C1=CC=C(I)C=C1F AK174064 [0,1,0,0,0,0|1,0,0]=2 378 B12R1.1703 O=C(OC)C1=CC=C(I)C=C1O AK144550 [0,1,0,0,0,0|1,0,0]=2 379 B12R1.1703 O=C(OC)C1=CN=C(Br)C=C1Cl AK157951 [0,1,0,0,0,0|2,0,0]=3 380 B12R1.1703 O=C(OC)C1=CN=C(C)C=C1N AK321488 [0,1,0,0,0,0|2,0,0]=3 381 B12R1.1703 O=C(OC)C1=CN=C(N)C=C1Cl AK543110 [0,1,0,0,0,0|2,0,0]=3 382 B12R1.1703 O=C(OC)C1=CN=C(O)C=C1O AK-65278 [0,1,0,0,0,0|1,0,0]=2 383 B12R1.1703 O=C(OC)C1=NC=C(Br)C=C1Cl AK128538 [0,1,0,0,0,0|2,0,0]=3 384 B12R1.1703 O=C(OC)C1=NC=C(F)C=C1C AK146488 [0,1,0,0,0,0|2,0,0]=3 385 B12R1.1703 ONC(=N)C1=C(F)C=C(O)C=C1 AK-79609 [0,1,0,0,0,0|3,0,0]=4 386 B12R2.612 BrC1=CC=C2C(=O)NOC2=C1 AK-76119 [0,0,0,1,0,0|3,0,0]=4 387 B12R2.612 BrC1=CC=C2C(NCC2=C1)=O AK-29385 [0,0,0,1,0,0|2,0,0]=3 388 B12R2.612 C1=C(C=CC2=C1CCC2=O)Cl AK-31971 [0,0,0,1,0,0|2,0,0]=3 389 B12R2.612 CC1=NOC2=C1C=CC(=C2)O AK-24401 [0,0,0,1,0,0|3,0,0]=4 390 B12R2.612 FC1=CC=C2C(=O)NOC2=C1 AK100150 [0,0,0,1,0,0|3,0,0]=4 391 B12R2.612 NC1=CC=C2C(NCC2=C1)=O AK-34184 [0,0,0,1,0,0|2,0,0]=3 392 B12R2.612 O=C1CCC2=C1C=CC(Br)=C2 AK-25818 [0,0,0,1,0,0|2,0,0]=3 393 B12R2.612 O=C1CCC2=C1C=CC(C)=C2 AK-41812 [0,0,0,1,0,0|2,0,0]=3 394 B12R2.612 O=C1CCC2=C1C=CC(F)=C2 AK-26274 [0,0,0,1,0,0|2,0,0]=3 395 B12R2.612 O=C1CCC2=C1C=CC(I)=C2 AK-29326 [0,0,0,1,0,0|2,0,0]=3 396 B12R2.612 O=C1CCC2=C1C=CC(N)=C2 AK-34777 [0,0,0,1,0,0|2,0,0]=3 397 B12R2.612 O=C1COC2=CC(Br)=CC=C12 AK-33982 [0,0,0,1,0,0|3,0,0]=4 398 B12R2.612 O=C1COC2=CC(Cl)=CC=C12 AK-25773 [0,0,0,1,0,0|3,0,0]=4 399 B12R2.612 O=C1COC2=CC(O)=CC=C12 AK-27229 [0,0,0,1,0,0|2,0,0]=3 400 B12R2.612 O=C1NNC2=C1C=CC(F)=C2 AK-99888 [0,0,0,1,0,0|3,0,0]=4 401 B12R2.612 O=C1NOC2=CC(C)=CC=C12 AK-67760 [0,0,0,1,0,0|3,0,0]=4 402 B12R2.612 O=C1NSC2=CC(F)=CC=C12 AK126238 [0,0,0,1,0,0|3,0,0]=4 403 B12R2.612 O=C1OCC2=C1C=CC(Br)=C2 AK-35968 [0,0,0,1,0,0|1,0,0]=2 404 B12R2.612 O=C1OCC2=C1C=CC(Cl)=C2 AK161984 [0,0,0,1,0,0|1,0,0]=2 405 B12R2.612 OB1OCC2=CC(F)=CC=C12 AK163946 [0,0,0,1,0,0|2,0,1]=4 406 B12R2.612 OC1=CC2=C(C=C1)C(=O)N=C2 AK-64733 [0,0,0,1,0,0|1,0,1]=3 407 B12R2.612 OC1=CC=C2C(=C1)[NH]N=C2C AK-24402 [0,0,0,1,0,0|3,0,0]=4 408 B10R1.14 C1=C(C(OC)=O)N=C(S1)N AK-15127 [0,0,0,0,1,0|3,0,0]=4 409 B10R1.14 C1=C(C(OC)=O)SC(=N1)Br AK-23911 [0,0,0,0,1,0|3,0,0]=4 410 B10R1.14 C1=C(C(OC)=O)SC(=N1)N AK-23910 [0,0,0,0,1,0|3,0,0]=4 411 B10R1.14 C1=C(N=C(S1)Br)C(=O)OC AK-21789 [0,0,0,0,1,0|3,0,0]=4 412 B10R1.14 C1=C(SC=C1N)C(OC)=O AK-36782 [0,0,0,0,1,0|2,0,0]=3 413 B10R1.14 COC(=O)C1=CC(=CO1)Br AK-39920 [0,0,0,0,1,0|2,0,0]=3 414 B10R1.14 COC(=O)C1=CC(Br)=CN1 AK-23914 [0,0,0,0,1,0|2,0,0]=3 415 B10R1.14 COC(=O)C1=CC(Br)=CS1 AK-55210 [0,0,0,0,1,0|2,0,0]=3 416 B10R1.14 COC(=O)C1=CC(C)=NO1 AK-99990 [0,0,0,0,1,0|3,0,0]=4 417 B10R1.14 COC(=O)C1=CC(NO1)=O AK-32642 [0,0,0,0,1,0|2,0,1]=4 418 B10R1.14 COC(=O)C1=CNC(Br)=C1 AK-63235 [0,0,0,0,1,0|2,0,0]=3 419 B10R1.14 COC(=O)C1=COC(C)=C1 AK-28257 [0,0,0,0,1,0|2,0,0]=3 420 B10R1.14 COC(=O)C1=NNC(Br)=C1 AK109827 [0,0,0,0,1,0|3,0,0]=4 421 B10R1.14 COC(=O)C1=NNC(C)=C1 AK-77018 [0,0,0,0,1,0|3,0,0]=4 422 B10R1.14 ClC1=NC=C(S1)C(=O)OC AK-65059 [0,0,0,0,1,0|3,0,0]=4 423 B10R1.14 NC1=CC(=N[NH]1)C(=O)OC AK-35933 [0,0,0,0,1,0|3,0,0]=4 424 B10R1.14 O=C(C1=CC=C(Br)N1)OC AK-47142 [0,0,0,0,1,0|2,0,0]=3 425 B10R1.14 O=C(C1=CC=C(Br)O1)OC AK-43914 [0,0,0,0,1,0|2,0,0]=3 426 B10R1.14 O=C(C1=CC=C(Br)S1)OC AK-40321 [0,0,0,0,1,0|2,0,0]=3 427 B10R1.14 O=C(C1=CC=C(C)O1)OC AK124407 [0,0,0,0,1,0|2,0,0]=3 428 B10R1.14 O=C(C1=CC=C(N)S1)OC AK-40138 [0,0,0,0,1,0|2,0,0]=3 429 B10R1.14 O=C(C1=CN(C)N=C1)OC AK-75955 [0,0,0,0,1,0|3,0,0]=4 430 B10R1.14 O=C(C1=CN=C(Br)O1)OC AK-75897 [0,0,0,0,1,0|3,0,0]=4 431 B10R1.14 O=C(C1=CN=C(C)O1)OC AK-26225 [0,0,0,0,1,0|3,0,0]=4 432 B10R1.14 O=C(C1=CN=C(Cl)O1)OC AK-77391 [0,0,0,0,1,0|3,0,0]=4 433 B10R1.14 O=C(C1=COC(Br)=N1)OC AK-41107 [0,0,0,0,1,0|3,0,0]=4 434 B10R1.14 O=C(C1=COC(Cl)=N1)OC AK-36915 [0,0,0,0,1,0|3,0,0]=4 435 B10R1.14 O=C(C1=CSC(Br)=C1)OC AK138265 [0,0,0,0,1,0|2,0,0]=3 436 B10R1.14 O=C(C1=NC(Br)=CS1)OC AK146642 [0,0,0,0,1,0|3,0,0]=4 437 B10R1.14 O=C(C1=NC(C)=CS1)OC AK-68231 [0,0,0,0,1,0|3,0,0]=4 438 B10R1.14 O=C(C1=NC=C(C)S1)OC AK-76566 [0,0,0,0,1,0|3,0,0]=4 439 B10R1.14 O=C(C1=NNC(O)=C1)OC AK-77271 [0,0,0,0,1,0|2,0,0]=3 440 B12R1.49 C1=C(CC(OC)=O)C=CC(=C1)Br AK-25954 [0,0,0,0,0,1|1,0,0]=2 441 B12R1.49 C1=C(CC(OC)=O)C=CC(=C1)O AK-46608 [0,0,0,0,0,1|0,0,0]=1 442 B12R1.49 COC(=O)CC1=NC=C(F)C=N1 AK100243 [0,0,0,0,0,1|3,0,0]=4 443 B12R1.49 O=C(OC)CC1=CC=C(Cl)C=C1 AK-46979 [0,0,0,0,0,1|1,0,0]=2 444 B12R1.49 O=C(OC)CC1=CC=C(Cl)N=C1 AK137274 [0,0,0,0,0,1|2,0,0]=3 445 B12R1.49 O=C(OC)CC1=CC=C(F)C=C1 AK117500 [0,0,0,0,0,1|1,0,0]=2 446 B12R1.49 O=C(OC)CC1=NC=C(Br)C=C1 AK144847 [0,0,0,0,0,1|2,0,0]=3 447 B12R1.49 O=C(OC)CC1=NC=C(Br)C=N1 AK138238 [0,0,0,0,0,1|3,0,0]=4 448 B9R1.1 BrC1=NC=C(C=C1)OC AK-25274 [2,0,0,0,0,0|2,0,0]=4 449 B9R1.1 C1=C(C=CC(=C1)CN)O AK-47356 [2,0,0,0,0,0|1,0,1]=4 450 B9R1.1 C1=C(C=CC(=C1)I)C=O AK-75599 [2,0,0,0,0,0|1,0,0]=3 451 B9R1.1 C1=CC(=CC=C1Br)CC AK-47528 [2,0,0,0,0,0|1,0,1]=4 452 B9R1.1 C1=CC(=CC=C1CO)O AK-47325 [2,0,0,0,0,0|0,0,1]=3 453 B9R1.1 C1=CC(=CC=C1I)NC AK-39846 [2,0,0,0,0,0|2,0,0]=4 454 B9R1.1 C1=CC(=CN=C1OC)Br AK-32435 [2,0,0,0,0,0|2,0,0]=4 455 B9R1.1 C1=CC(=CN=C1OC)N AK-24754 [2,0,0,0,0,0|2,0,0]=4 456 B9R1.1 C1=NC(=CC=C1C=O)Br AK-25442 [2,0,0,0,0,0|2,0,0]=4 457 B9R1.1 C1=NC(=CC=C1C=O)Cl AK-25624 [2,0,0,0,0,0|2,0,0]=4 458 B9R1.1 CC1=CC=C(C=O)C=C1 AK-65210 [2,0,0,0,0,0|1,0,0]=3 459 B9R1.1 CC1=CN=C(C=C1)C=O AK-35332 [2,0,0,0,0,0|2,0,0]=4 460 B9R1.1 CC1=CN=C(OC)C=C1 AK-58301 [2,0,0,0,0,0|2,0,0]=4 461 B9R1.1 CC1=NC=C(C=C1)C=O AK-26076 [2,0,0,0,0,0|2,0,0]=4 462 B9R1.1 CNC1=CC=C(Cl)C=C1 AK129065 [2,0,0,0,0,0|2,0,0]=4 463 B9R1.1 CNC1=CC=C(F)C=C1 AK-87253 [2,0,0,0,0,0|2,0,0]=4 464 B9R1.1 COC1=CC=C(Cl)C=C1 AK116963 [2,0,0,0,0,0|1,0,0]=3 465 B9R1.1 COC1=CC=C(I)C=C1 AK-44747 [2,0,0,0,0,0|1,0,0]=3 466 B9R1.1 COC1=CC=C(O)C=C1 AK-46469 [2,0,0,0,0,0|0,0,0]=2 467 B9R1.1 COC1=CN=C(Cl)C=C1 AK-33219 [2,0,0,0,0,0|2,0,0]=4 468 B9R1.1 COC1=CN=C(F)C=C1 AK-61561 [2,0,0,0,0,0|2,0,0]=4 469 B9R1.1 COC1=NC=C(Cl)C=C1 AK-44270 [2,0,0,0,0,0|2,0,0]=4 470 B9R1.1 COC1=NC=C(F)C=C1 AK-27023 [2,0,0,0,0,0|2,0,0]=4 471 B9R1.1 COC1=NC=C(I)C=C1 AK-58302 [2,0,0,0,0,0|2,0,0]=4 472 B9R1.1 ClC1=CN=C(C=C1)C=O AK-44636 [2,0,0,0,0,0|2,0,0]=4 473 B9R1.1 FC1=NC=C(C=C1)C=O AK-25098 [2,0,0,0,0,0|2,0,0]=4 474 B9R1.1 IC1=CC=C(CC)C=C1 AK121966 [2,0,0,0,0,0|1,0,1]=4 475 B9R1.1 NC1=CC=C(NC)C=C1 AK-86240 [2,0,0,0,0,0|2,0,0]=4 476 B9R1.1 NC1=NC=C(C=C1)OC AK-27987 [2,0,0,0,0,0|2,0,0]=4 477 B9R1.1 O=CC1=CC=C(Br)C=C1 AK-80048 [2,0,0,0,0,0|1,0,0]=3 478 B9R1.1 O=CC1=CC=C(Cl)C=C1 AK-76679 [2,0,0,0,0,0|1,0,0]=3 479 B9R1.1 O=CC1=CC=C(F)C=C1 AK-84401 [2,0,0,0,0,0|1,0,0]=3 480 B9R1.1 O=CC1=CC=C(O)C=C1 AK-77323 [2,0,0,0,0,0|0,0,0]=2 481 B9R1.1 O=CC1=CN=C(N)C=C1 AK114395 [2,0,0,0,0,0|2,0,0]=4 482 B9R1.1 O=CC1=CN=C(N)C=C1 AK125046 [2,0,0,0,0,0|2,0,0]=4 483 B9R1.1 O=CC1=CN=C(O)N=C1 AK199230 [2,0,0,0,0,0|2,0,0]=4 484 B9R1.1 O=CC1=NC=C(Br)C=C1 AK-27944 [2,0,0,0,0,0|2,0,0]=4 485 B9R1.1 O=CC1=NC=C(F)C=C1 AK-34624 [2,0,0,0,0,0|2,0,0]=4 486 B9R1.1 O=CC1=NC=C(O)C=C1 AK-34625 [2,0,0,0,0,0|1,0,0]=3 487 B9R1.1 O=CC=1C=CC(NC1)=O AK-28718 [2,0,0,0,0,0|1,0,1]=4 488 B9R1.1 OC1=CC=C(C=C)C=C1 AK113778 [2,0,0,0,0,0|0,0,1]=3 489 B9R1.1 OC1=CC=C(C=C1)C#N AK-44095 [2,0,0,0,0,0|1,0,1]=4 490 B9R1.1 OC1=CC=C(CO)N=C1 AK-68040 [2,0,0,0,0,0|1,0,1]=4 491 B9R1.1 OC1=CN=C(C=C1)OC AK-26060 [2,0,0,0,0,0|1,0,0]=3 492 B9R1.1 OCC1=CC=C(Br)C=C1 AK-93775 [2,0,0,0,0,0|1,0,1]=4 493 B9R1.1 OCC1=CC=C(C)C=C1 AK-92302 [2,0,0,0,0,0|1,0,1]=4 494 B9R1.1 OCC1=CC=C(Cl)C=C1 AK-94754 [2,0,0,0,0,0|1,0,1]=4 495 B9R1.1 OCC1=CC=C(I)C=C1 AK-72872 [2,0,0,0,0,0|1,0,1]=4 496 B9R1.1 OCC1=CC=C(N)C=C1 AK-51503 [2,0,0,0,0,0|1,0,1]=4 497 B9R1.8 C1=C(C=CC=C1)CON AK-49180 [2,0,0,0,0,0|1,0,1]=4 498 B9R1.8 C1=C(N=CC=C1)COC AK-32294 [2,0,0,0,0,0|1,0,1]=4 499 B9R1.8 CNNC1=CC=CC=C1 AK119038 [2,0,0,0,0,0|2,0,0]=4 500 B9R1.8 NOCC1=CC=CC=C1 AK-82317 [2,0,0,0,0,0|1,0,1]=4 501 B9R1.6 C1=C(C(=O)C)C=CN=C1 AK-65203 [2,0,0,0,0,0|1,0,0]=3 502 B9R1.6 C1=C(C(C)=O)N=CC=C1 AK-53417 [2,0,0,0,0,0|1,0,0]=3 503 B9R1.6 C1=C(C(N)=O)C=CN=C1 AK-47864 [2,0,0,0,0,0|2,0,0]=4 504 B9R1.6 C1=C(C=CC=C1)B(O)O AK-50285 [2,0,0,0,0,0|1,0,1]=4 505 B9R1.6 C1=C(N=CC=N1)C(=O)C AK-16901 [2,0,0,0,0,0|2,0,0]=4 506 B9R1.6 C1=C(N=NC=C1)C(O)=O AK-28139 [2,0,0,0,0,0|2,0,0]=4 507 B9R1.6 C1=CN=CN=C1C(=O)O AK-23926 [2,0,0,0,0,0|2,0,0]=4 508 B9R1.6 C1=NC=CN=C1C(O)=O AK-47505 [2,0,0,0,0,0|2,0,0]=4 509 B9R1.6 C1=NC=NC=C1C(=O)O AK-24470 [2,0,0,0,0,0|2,0,0]=4 510 B9R1.6 CC(=O)C1=CC=CN=N1 AK-83539 [2,0,0,0,0,0|2,0,0]=4 511 B9R1.6 CC(=O)C1=CC=NN=C1 AK-30816 [2,0,0,0,0,0|2,0,0]=4 512 B9R1.6 CC(=O)C1=NC=CC=N1 AK-35526 [2,0,0,0,0,0|2,0,0]=4 513 B9R1.6 CC(C1=CN=CN=C1)=O AK-32388 [2,0,0,0,0,0|2,0,0]=4 514 B9R1.6 CC(C1=NC=NC=C1)=O AK-40767 [2,0,0,0,0,0|2,0,0]=4 515 B9R1.6 C[C@@H](N)C1=CC=CC=C1 AK668263 [2,0,0,0,0,0|1,0,1]=4 516 B9R1.6 C[C@@H](O)C1=CC=CC=C1 AK-79205 [2,0,0,0,0,0|0,0,2]=4 517 B9R1.6 N1=C(N=CC=C1)C(=O)O AK-24353 [2,0,0,0,0,0|2,0,0]=4 518 B9R1.6 N1=NC=C(C=C1)C(=O)O AK-26044 [2,0,0,0,0,0|2,0,0]=4 519 B9R1.6 N=C(N)C1=CC=CC=C1 AK-47930 [2,0,0,0,0,0|2,0,0]=4 520 B9R1.6 NC(=N)C1=CC=CC=C1 AK-48017 [2,0,0,0,0,0|2,0,0]=4 521 B9R1.6 NC(C1=CC=CC=C1)=S AK-46849 [2,0,0,0,0,0|1,1,0]=4 522 B9R1.6 O=C(Cl)C1=NC=CC=C1 AK-49118 [2,0,0,0,0,0|2,0,0]=4 523 B9R1.6 O=C(N)C1=CC=CC=C1 AK-77684 [2,0,0,0,0,0|1,0,0]=3 524 B9R1.6 O=C(N)C1=CN=CC=C1 AK112769 [2,0,0,0,0,0|2,0,0]=4 525 B9R1.6 O=C(N)C1=NC=CC=C1 AK106190 [2,0,0,0,0,0|2,0,0]=4 526 B9R1.6 O=C(O)C1=CN=CC=C1 AK-46486 [2,0,0,0,0,0|1,0,0]=3 527 B9R1.6 O=C(O)C1=NC=CC=C1 AK-50286 [2,0,0,0,0,0|1,0,0]=3 528 B9R1.6 O=S(C1=CC=CC=C1)[O-] AK162411 [2,0,0,0,0,0|1,0,1]=4 529 B9R1.6 OC(=O)C1=CC=NC=C1 AK-49896 [2,0,0,0,0,0|1,0,0]=3 530 B11R1.1 CCCOC1=CC=C(O)C=C1 AK-48796 [1,1,0,0,0,0|1,0,1]=4 531 B11R1.1 CCOCC1=CC=C(O)C=C1 AK104357 [1,1,0,0,0,0|0,0,1]=3 532 B11R1.1 FC1=CC=C(COCC)C=C1 AK468045 [1,1,0,0,0,0|1,0,1]=4 533 B11R1.1 O=C\C=C\C1=CC=C(O)C=C1 AK131808 [1,1,0,0,0,0|1,0,1]=4 534 B11R1.1 O=C\C=C\C1=CC=C(O)C=C1 AK316818 [1,1,0,0,0,0|1,0,1]=4 535 B11R1.1 OCCCC1=CC=C(O)C=C1 AK-32677 [1,1,0,0,0,0|1,0,1]=4 536 B11R1.81 CCCC1=C(O)C=C(O)C=C1 AK-81520 [1,1,0,0,0,0|1,0,1]=4 537 B11R1.81 NC1=CC=C(COC)C(F)=C1 AK162067 [1,1,0,0,0,0|1,0,1]=4 538 B11R1.83 C1=CC(=CC=C1OC)CNC AK-16703 [1,1,0,0,0,0|1,0,1]=4 539 B11R1.83 COC1=CC=C(C=CC)C=C1 AK111252 [1,1,0,0,0,0|1,0,0]=3 540 B11R1.83 COC1=CC=C(CNC)C=C1 AK-16702 [1,1,0,0,0,0|1,0,1]=4 541 B11R1.83 C\C=C\C1=CC=C(OC)C=C1 AK-93416 [1,1,0,0,0,0|1,0,0]=3 542 B11R1.83 [NH3+]OCC1=CC=C(OC)C=C1 AK-96413 [1,1,0,0,0,0|1,0,1]=4 543 B11R1.192 COCC1=CC=C(F)C(Br)=C1 AK136514 [1,1,0,0,0,0|1,0,1]=4 544 B11R1.3 C(#C)C1=CC=C(C(=O)O)C=C1 AK-44236 [1,1,0,0,0,0|1,0,0]=3 545 B11R1.3 C1=C(C=CC(=C1)C=O)C(O)=O AK-45367 [1,1,0,0,0,0|0,0,1]=3 546 B11R1.3 C1=C(C=CC(=C1)CN)C(O)=O AK-35678 [1,1,0,0,0,0|1,0,0]=3 547 B11R1.3 C1=C(C=CC(=C1)CO)B(O)O AK-47289 [1,1,0,0,0,0|1,0,1]=4 548 B11R1.3 C1=C(C=CC(=C1)OC)B(O)O AK-39804 [1,1,0,0,0,0|1,0,1]=4 549 B11R1.3 C1=CC(=CC=C1C(O)=O)CO AK-25734 [1,1,0,0,0,0|0,0,0]=2 550 B11R1.3 C1=CC(=CC=C1[N+](=O)[O-])CO AK-46675 [1,1,0,0,0,0|1,0,1]=4 551 B11R1.3 C1=CC(=NC=C1C(=O)O)NN AK-33131 [1,1,0,0,0,0|2,0,0]=4 552 B11R1.3 CC(C1=CC=C(CBr)C=C1)=O AK-35404 [1,1,0,0,0,0|1,0,0]=3 553 B11R1.3 CC(C1=CC=C(CN)C=C1)=O AK158889 [1,1,0,0,0,0|1,0,0]=3 554 B11R1.3 CC(C1=CC=C(NC)C=C1)=O AK145581 [1,1,0,0,0,0|1,0,0]=3 555 B11R1.3 CC(C1=CC=C(OC)N=C1)=O AK-76404 [1,1,0,0,0,0|1,0,0]=3 556 B11R1.3 CC(C1=CC=C(SC)C=C1)=O AK164075 [1,1,0,0,0,0|0,1,0]=3 557 B11R1.3 CCC1=CN=C(C=C1)C(O)=O AK-29521 [1,1,0,0,0,0|2,0,0]=4 558 B11R1.3 CN(C)C1=CC=C(OC)C=C1 AK136005 [1,1,0,0,0,0|2,0,0]=4 559 B11R1.3 COC1=CC=C(C=C1)[C@@H](C)N AK-34162 [1,1,0,0,0,0|1,0,1]=4 560 B11R1.3 COC1=CC=C(C=C1)[C@@H](C)O AK103062 [1,1,0,0,0,0|0,0,2]=4 561 B11R1.3 COC1=CC=C(C=C1)[C@H](C)O AK103063 [1,1,0,0,0,0|0,0,2]=4 562 B11R1.3 COC1=CN=C(C=C1)C(=O)O AK-29097 [1,1,0,0,0,0|1,0,0]=3 563 B11R1.3 COC1=CN=C(C=N1)C(=O)O AK-25141 [1,1,0,0,0,0|2,0,0]=4 564 B11R1.3 N#CC1=CC=C(C(C)=O)C=C1 AK-44531 [1,1,0,0,0,0|1,0,0]=3 565 B11R1.3 N=C(N)C1=CC=C(OC)C=C1 AK-98683 [1,1,0,0,0,0|2,0,0]=4 566 B11R1.3 O=C(C1=CN=C(OC)C=C1)O AK-30103 [1,1,0,0,0,0|1,0,0]=3 567 B11R1.3 O=C(N)C1=CC=C(CN)C=C1 AK155450 [1,1,0,0,0,0|2,0,0]=4 568 B11R1.3 O=C(N)C1=CC=C(OC)C=C1 AK114264 [1,1,0,0,0,0|1,0,0]=3 569 B11R1.3 O=C(O)C1=CC=C(C=C)C=C1 AK-45760 [1,1,0,0,0,0|1,0,0]=3 570 B11R1.3 O=C(O)C1=CC=C(CC)C=C1 AK114313 [1,1,0,0,0,0|1,0,0]=3 571 B11R1.3 O=C(O)C1=CC=C(NN)C=C1 AK-79152 [1,1,0,0,0,0|1,0,0]=3 572 B11R1.3 O=C(O)C1=CC=C(NN)C=C1 AK-88500 [1,1,0,0,0,0|1,0,0]=3 573 B11R1.3 O=C(O)C1=CC=C(OC)C=C1 AK-41188 [1,1,0,0,0,0|0,0,0]=2 574 B11R1.3 O=C(O)C1=CN=C(CO)C=C1 AK123526 [1,1,0,0,0,0|1,0,0]=3 575 B11R1.3 O=C(O)C1=NC=C(CO)C=C1 AK127091 [1,1,0,0,0,0|1,0,0]=3 576 B11R1.3 [C@@H](C)(N)C1=CC=C(OC)C=C1 AK-41700 [1,1,0,0,0,0|1,0,1]=4 577 B11R1.19 C1=C([S](C)(=O)=O)C=CC(=C1)Cl AK-50496 [1,1,0,0,0,0|2,0,0]=4 578 B11R1.19 C1=C([S](C)(=O)=O)C=CC(=C1)O AK-73113 [1,1,0,0,0,0|1,0,0]=3 579 B11R1.19 CC1=CC=C(C=C1)P(=O)(O)O AK-80283 [1,1,0,0,0,0|2,0,0]=4 580 B11R1.19 CC1=CC=C(C=C1)S(O)(=O)=O AK-93752 [1,1,0,0,0,0|2,0,0]=4 581 B11R1.19 NC1=CC=C(S(=O)(C)=O)C=C1 AK-32256 [1,1,0,0,0,0|2,0,0]=4 582 B11R1.19 O=S(C1=CC=C(Br)C=C1)(C)=O AK-76561 [1,1,0,0,0,0|2,0,0]=4 583 B11R1.19 O=S(C1=CC=C(C)C=C1)(C)=O AK-94753 [1,1,0,0,0,0|2,0,0]=4 584 B11R1.19 O=S(C1=CC=C(C)C=C1)(O)=O AK-45062 [1,1,0,0,0,0|2,0,0]=4 585 B11R1.19 O=S(C1=CC=C(C)C=C1)(O)=O AK-77681 [1,1,0,0,0,0|2,0,0]=4 586 B11R1.19 O=S(C1=CC=C(C)C=C1)(O)=O AK101690 [1,1,0,0,0,0|2,0,0]=4 587 B11R1.19 O=S(C1=CC=C(C)C=C1)(O)=O AK150790 [1,1,0,0,0,0|2,0,0]=4 588 B11R1.19 O=S(C1=CC=C(C)C=C1)(O)=O AK164877 [1,1,0,0,0,0|2,0,0]=4 589 B11R1.19 O=S(C1=CC=C(C)C=C1)(O)=O AK311262 [1,1,0,0,0,0|2,0,0]=4 590 B11R1.19 O=S(C1=CC=C(O)C=C1)([O-])=O AK117280 [1,1,0,0,0,0|1,0,1]=4 591 B11R1.21 BrC1=C(C=C(C(=O)O)C=C1)O AK-39977 [1,1,0,0,0,0|1,0,0]=3 592 B11R1.21 BrC1=C(C=C(C=C1)C(C)=O)F AK-34604 [1,1,0,0,0,0|1,0,0]=3 593 B11R1.21 BrC1=C(C=CC(=C1)C(=O)O)Cl AK-30019 [1,1,0,0,0,0|1,0,0]=3 594 B11R1.21 BrC1=CN=C(C=C1C)C(=O)O AK-37510 [1,1,0,0,0,0|2,0,0]=4 595 B11R1.21 C1=C(C(=CC=C1C(=O)C)F)C AK-48194 [1,1,0,0,0,0|1,0,0]=3 596 B11R1.21 C1=C(C(=CC=C1C(=O)O)C)N AK-34321 [1,1,0,0,0,0|1,0,0]=3 597 B11R1.21 C1=C(C(=CC=C1C(=O)O)N)C AK-34339 [1,1,0,0,0,0|1,0,0]=3 598 B11R1.21 C1=C(C(=CC=C1C(C)=O)F)Br AK-50601 [1,1,0,0,0,0|1,0,0]=3 599 B11R1.21 C1=C(C(=CC=C1C(O)=O)Cl)O AK-25796 [1,1,0,0,0,0|1,0,0]=3 600 B11R1.21 C1=C(C(=CC=C1C(O)=O)O)C AK-46719 [1,1,0,0,0,0|0,0,0]=2 601 B11R1.21 C1=C(C=CC(=C1Br)C)C(O)=O AK-36339 [1,1,0,0,0,0|1,0,0]=3 602 B11R1.21 C1=C(C=CC(=C1C)Cl)C(O)=O AK-47580 [1,1,0,0,0,0|1,0,0]=3 603 B11R1.21 C1=C(C=CC(=C1Cl)Cl)C(O)=O AK-46631 [1,1,0,0,0,0|1,0,0]=3 604 B11R1.21 C1=C(C=CC(=C1F)C)C(O)=O AK-34796 [1,1,0,0,0,0|1,0,0]=3 605 B11R1.21 C1=C(C=CC(=C1F)F)C(O)=O AK-47373 [1,1,0,0,0,0|1,0,0]=3 606 B11R1.21 C1=C(C=CC(=C1F)O)C(C)=O AK-42173 [1,1,0,0,0,0|0,0,0]=2 607 B11R1.21 C1=C(C=CC(=C1O)O)C(O)=O AK-47644 [1,1,0,0,0,0|0,0,0]=2 608 B11R1.21 C1=C(Cl)C(=CC=C1[N+]([O-])=O)O AK-35873 [1,1,0,0,0,0|1,0,1]=4 609 B11R1.21 C1=C(O)C(=CC=C1C(=O)O)N AK-34278 [1,1,0,0,0,0|1,0,0]=3 610 B11R1.21 C1=CC(=C(C=C1C(=O)O)I)F AK-35058 [1,1,0,0,0,0|1,0,0]=3 611 B11R1.21 C1=CC(=C(C=C1C(O)=O)F)N AK-35239 [1,1,0,0,0,0|1,0,0]=3 612 B11R1.21 C1=CC(=CC(=C1F)Cl)C(=O)C AK-49084 [1,1,0,0,0,0|1,0,0]=3 613 B11R1.21 C1=CC(=CC(=C1O)Br)[N+]([O-])=O AK-29436 [1,1,0,0,0,0|1,0,1]=4 614 B11R1.21 CC(C1=CC(C)=C(Cl)N=C1)=O AK139010 [1,1,0,0,0,0|2,0,0]=4 615 B11R1.21 CC(C1=CC=C(Br)C(C)=C1)=O AK-65018 [1,1,0,0,0,0|1,0,0]=3 616 B11R1.21 CC(C1=CC=C(Br)C(Cl)=C1)=O AK114290 [1,1,0,0,0,0|1,0,0]=3 617 B11R1.21 CC(C1=CC=C(Cl)C(C)=C1)=O AK-51511 [1,1,0,0,0,0|1,0,0]=3 618 B11R1.21 CC(C1=CC=C(Cl)C(Cl)=C1)=O AK-41915 [1,1,0,0,0,0|1,0,0]=3 619 B11R1.21 CC(C1=CC=C(Cl)C(N)=C1)=O AK-45178 [1,1,0,0,0,0|1,0,0]=3 620 B11R1.21 CC(C1=CC=C(F)C(F)=C1)=O AK-53703 [1,1,0,0,0,0|1,0,0]=3 621 B11R1.21 CC(C1=CC=C(I)C(Br)=C1)=O AK482929 [1,1,0,0,0,0|1,0,0]=3 622 B11R1.21 CC(C1=CC=C(N)C(F)=C1)=O AK-94340 [1,1,0,0,0,0|1,0,0]=3 623 B11R1.21 CC(C1=CC=C(O)C(Br)=C1)=O AK201265 [1,1,0,0,0,0|0,0,0]=2 624 B11R1.21 CC(C1=CC=C(O)C(C)=C1)=O AK-41189 [1,1,0,0,0,0|0,0,0]=2 625 B11R1.21 CC(C1=CC=C(O)C(O)=C1)=O AK-42350 [1,1,0,0,0,0|0,0,0]=2 626 B11R1.21 CC1=C(C)N=C(C=C1)C(O)=O AK-89986 [1,1,0,0,0,0|2,0,0]=4 627 B11R1.21 CC1=C(F)C=CC(=N1)C(O)=O AK-38458 [1,1,0,0,0,0|2,0,0]=4 628 B11R1.21 CC1=CC(=CNC1=O)C(O)=O AK-78282 [1,1,0,0,0,0|1,0,1]=4 629 B11R1.21 CC1=CC(B(O)O)=CC=C1O AK-85496 [1,1,0,0,0,0|1,0,1]=4 630 B11R1.21 FC1=C(C=CC(=C1)C(=O)O)I AK-36475 [1,1,0,0,0,0|1,0,0]=3 631 B11R1.21 NC(=O)C1=CC(Br)=C(F)C=C1 AK-87520 [1,1,0,0,0,0|2,0,0]=4 632 B11R1.21 NC1=C(I)C=CC(=C1)C(O)=O AK-82318 [1,1,0,0,0,0|1,0,0]=3 633 B11R1.21 NC1=C(O)C=CC(=C1)C(O)=O AK-33476 [1,1,0,0,0,0|0,0,0]=2 634 B11R1.21 NC1=CC(=CC=C1Cl)C(O)=O AK-73058 [1,1,0,0,0,0|1,0,0]=3 635 B11R1.21 O=C(C1=CC(Br)=C(Br)N=C1)O AK-29099 [1,1,0,0,0,0|2,0,0]=4 636 B11R1.21 O=C(C1=CC(Cl)=C(Cl)N=C1)O AK-25953 [1,1,0,0,0,0|2,0,0]=4 637 B11R1.21 O=C(C1=NC(Cl)=C(C)C=C1)O AK-76573 [1,1,0,0,0,0|2,0,0]=4 638 B11R1.21 O=C(C=1C=CC(N(C1)C)=O)O AK-34900 [1,1,0,0,0,0|1,0,1]=4 639 B11R1.21 O=C(C=1C=CN(C)C(C1)=O)O AK-34747 [1,1,0,0,0,0|2,0,0]=4 640 B11R1.21 O=C(N)C1=CC=C(N)C(O)=C1 AK437623 [1,1,0,0,0,0|2,0,0]=4 641 B11R1.21 O=C(O)C1=CC=C(Br)C(Br)=C1 AK-64921 [1,1,0,0,0,0|1,0,0]=3 642 B11R1.21 O=C(O)C1=CC=C(Br)C(C)=C1 AK-26325 [1,1,0,0,0,0|1,0,0]=3 643 B11R1.21 O=C(O)C1=CC=C(Br)C(Cl)=C1 AK-86432 [1,1,0,0,0,0|1,0,0]=3 644 B11R1.21 O=C(O)C1=CC=C(Br)C(F)=C1 AK-50383 [1,1,0,0,0,0|1,0,0]=3 645 B11R1.21 O=C(O)C1=CC=C(Br)C(N)=C1 AK-34514 [1,1,0,0,0,0|1,0,0]=3 646 B11R1.21 O=C(O)C1=CC=C(C)C(Cl)=C1 AK-73060 [1,1,0,0,0,0|1,0,0]=3 647 B11R1.21 O=C(O)C1=CC=C(C)C(I)=C1 AK-51540 [1,1,0,0,0,0|1,0,0]=3 648 B11R1.21 O=C(O)C1=CC=C(C)C(O)=C1 AK-61869 [1,1,0,0,0,0|1,0,0]=3 649 B11R1.21 O=C(O)C1=CC=C(Cl)C(F)=C1 AK-35057 [1,1,0,0,0,0|1,0,0]=3 650 B11R1.21 O=C(O)C1=CC=C(F)C(Br)=C1 AK-32644 [1,1,0,0,0,0|1,0,0]=3 651 B11R1.21 O=C(O)C1=CC=C(F)C(C)=C1 AK-35056 [1,1,0,0,0,0|1,0,0]=3 652 B11R1.21 O=C(O)C1=CC=C(F)C(Cl)=C1 AK-53849 [1,1,0,0,0,0|1,0,0]=3 653 B11R1.21 O=C(O)C1=CC=C(F)C(N)=C1 AK-34274 [1,1,0,0,0,0|1,0,0]=3 654 B11R1.21 O=C(O)C1=CC=C(F)C(O)=C1 AK-35418 [1,1,0,0,0,0|1,0,0]=3 655 B11R1.21 O=C(O)C1=CC=C(I)C(Cl)=C1 AK174208 [1,1,0,0,0,0|1,0,0]=3 656 B11R1.21 O=C(O)C1=CC=C(I)C(O)=C1 AK-44390 [1,1,0,0,0,0|1,0,0]=3 657 B11R1.21 O=C(O)C1=CC=C(N)C(Br)=C1 AK-35930 [1,1,0,0,0,0|1,0,0]=3 658 B11R1.21 O=C(O)C1=CC=C(N)C(Cl)=C1 AK-34340 [1,1,0,0,0,0|1,0,0]=3 659 B11R1.21 O=C(O)C1=CC=C(N)C(N)=C1 AK-45165 [1,1,0,0,0,0|1,0,0]=3 660 B11R1.21 O=C(O)C1=CC=C(O)C(F)=C1 AK-34797 [1,1,0,0,0,0|0,0,0]=2 661 B11R1.21 O=C(O)C1=CN=C(Cl)C(Br)=C1 AK-23816 [1,1,0,0,0,0|2,0,0]=4 662 B11R1.21 O=C(O)C1=CN=C(Cl)C(F)=C1 AK173995 [1,1,0,0,0,0|2,0,0]=4 663 B11R1.21 O=C(O)C1=CN=C(Cl)C(I)=C1 AK324930 [1,1,0,0,0,0|2,0,0]=4 664 B11R1.21 O=C(O)C1=CN=C(F)C(Br)=C1 AK-49660 [1,1,0,0,0,0|2,0,0]=4 665 B11R1.21 O=C(O)C1=CN=C(N)C(Br)=C1 AK-25059 [1,1,0,0,0,0|2,0,0]=4 666 B11R1.21 O=C(O)C1=CN=C(N)C(N)=C1 AK126240 [1,1,0,0,0,0|2,0,0]=4 667 B11R1.21 O=C(O)C1=NC(Br)=C(C)C=C1 AK138206 [1,1,0,0,0,0|2,0,0]=4 668 B11R1.21 O=C(O)C1=NC(Br)=C(Cl)C=C1 AK-53664 [1,1,0,0,0,0|2,0,0]=4 669 B11R1.21 O=C(O)C1=NC(Br)=C(F)C=C1 AK-53910 [1,1,0,0,0,0|2,0,0]=4 670 B11R1.21 O=C(O)C1=NC(C)=C(Br)C=C1 AK-61563 [1,1,0,0,0,0|2,0,0]=4 671 B11R1.21 O=C(O)C1=NC(Cl)=C(Cl)C=C1 AK-53898 [1,1,0,0,0,0|2,0,0]=4 672 B11R1.21 O=C(O)C1=NC(Cl)=C(F)C=C1 AK-53913 [1,1,0,0,0,0|2,0,0]=4 673 B11R1.21 O=C(O)C1=NC(O)=C(Br)C=C1 AK-92903 [1,1,0,0,0,0|2,0,0]=4 674 B11R1.21 O=C(O)C1=NC=C(Br)C(Cl)=C1 AK-55136 [1,1,0,0,0,0|2,0,0]=4 675 B11R1.21 O=C(O)C1=NC=C(C)C(Br)=C1 AK137974 [1,1,0,0,0,0|2,0,0]=4 676 B11R1.21 OB(C1=CC=C(O)C(F)=C1)O AK-33809 [1,1,0,0,0,0|1,0,1]=4 677 B11R1.21 OC(=O)C1=CC(=O)C(O)=CN1 AK-89588 [1,1,0,0,0,0|1,0,0]=3 678 B11R1.21 OC(=O)C1=CC(Br)=C(I)C=C1 AK-80847 [1,1,0,0,0,0|1,0,0]=3 679 B11R1.21 OC(=O)C1=CC(I)=C(Br)C=C1 AK-64714 [1,1,0,0,0,0|1,0,0]=3 680 B11R1.21 OC(=O)C1=CC(I)=C(Cl)C=C1 AK-35135 [1,1,0,0,0,0|1,0,0]=3 681 B11R1.21 OC(=O)C1=CC=C(Cl)C(=O)N1 AK100453 [1,1,0,0,0,0|2,0,0]=4 682 B11R1.21 OC(=O)C1=NC=C(Cl)C(Cl)=C1 AK-67884 [1,1,0,0,0,0|2,0,0]=4 683 B11R1.21 OC1=CC=C(B(O)O)C=C1Cl AK-61628 [1,1,0,0,0,0|1,0,1]=4 684 B11R1.21 OC1=CC=C([N+]([O-])=O)C=C1F AK-30391 [1,1,0,0,0,0|1,0,1]=4 685 B11R1.166 BrC1=C(C(=O)O)C=CC(=C1)Cl AK-36919 [1,1,0,0,0,0|1,0,0]=3 686 B11R1.166 BrC1=CN=C(C(=C1)C)C(=O)O AK-26400 [1,1,0,0,0,0|2,0,0]=4 687 B11R1.166 C1=C(C(=CC(=C1)Br)N)C(=O)O AK-34046 [1,1,0,0,0,0|1,0,0]=3 688 B11R1.166 C1=C(C(=CC(=C1)Cl)I)C(O)=O AK-46379 [1,1,0,0,0,0|1,0,0]=3 689 B11R1.166 C1=C(C(=CC(=C1)Cl)N)C(O)=O AK-36798 [1,1,0,0,0,0|1,0,0]=3 690 B11R1.166 C1=C(C(=CC=C1C)C(=O)O)N AK-25621 [1,1,0,0,0,0|1,0,0]=3 691 B11R1.166 C1=C(C(=CC=C1Cl)C(C)=O)Cl AK-47301 [1,1,0,0,0,0|1,0,0]=3 692 B11R1.166 C1=C(C(=CC=C1N)C(=O)O)C AK-27038 [1,1,0,0,0,0|1,0,0]=3 693 B11R1.166 C1=C(Cl)C=NC(=C1Cl)C(=O)O AK-24701 [1,1,0,0,0,0|2,0,0]=4 694 B11R1.166 C1=C([N+]([O-])=O)C(=CC(=C1)O)C AK-49132 [1,1,0,0,0,0|1,0,1]=4 695 B11R1.166 C1=CC(=C(C=C1N)Cl)C(O)=O AK-29059 [1,1,0,0,0,0|1,0,0]=3 696 B11R1.166 C1=CC(=CC(=C1C(C)=O)F)F AK-46615 [1,1,0,0,0,0|1,0,0]=3 697 B11R1.166 C1=CC(=CC(=C1C(C)=O)F)O AK-49094 [1,1,0,0,0,0|0,0,0]=2 698 B11R1.166 C1=CC(=CC(=C1C(O)=O)Br)Br AK-45532 [1,1,0,0,0,0|1,0,0]=3 699 B11R1.166 C1=CC(=CC(=C1C(O)=O)C)Br AK-26260 [1,1,0,0,0,0|1,0,0]=3 700 B11R1.166 C1=CC(=CC(=C1C(O)=O)C)C AK-47303 [1,1,0,0,0,0|1,0,0]=3 701 B11R1.166 C1=CC(=CC(=C1C(O)=O)C)Cl AK-32606 [1,1,0,0,0,0|1,0,0]=3 702 B11R1.166 C1=CC(=CC(=C1C(O)=O)Cl)Cl AK-46538 [1,1,0,0,0,0|1,0,0]=3 703 B11R1.166 C1=CC(=CC(=C1C(O)=O)F)C AK-26324 [1,1,0,0,0,0|1,0,0]=3 704 B11R1.166 C1=CC(=CC(=C1C(O)=O)F)F AK-49138 [1,1,0,0,0,0|1,0,0]=3 705 B11R1.166 C1=CC(=CC(=C1C(O)=O)F)N AK-25984 [1,1,0,0,0,0|1,0,0]=3 706 B11R1.166 C1=CC(=CC(=C1C(O)=O)O)C AK-73066 [1,1,0,0,0,0|1,0,0]=3 707 B11R1.166 C1=CC(=CC(=C1C(O)=O)O)Cl AK-47585 [1,1,0,0,0,0|1,0,0]=3 708 B11R1.166 C1=CC(=CC(=C1C(O)=O)O)F AK-29195 [1,1,0,0,0,0|1,0,0]=3 709 B11R1.166 CC(=O)C1=C(N)C=C(C)C=C1 AK-75553 [1,1,0,0,0,0|1,0,0]=3 710 B11R1.166 CC(C1=CC=C(Br)C=C1Cl)=O AK-77175 [1,1,0,0,0,0|1,0,0]=3 711 B11R1.166 CC(C1=CC=C(Br)C=C1F)=O AK-46535 [1,1,0,0,0,0|1,0,0]=3 712 B11R1.166 CC(C1=CC=C(Br)C=C1N)=O AK-38008 [1,1,0,0,0,0|1,0,0]=3 713 B11R1.166 CC(C1=CC=C(Br)C=C1O)=O AK-40002 [1,1,0,0,0,0|1,0,0]=3 714 B11R1.166 CC(C1=CC=C(C)C=C1F)=O AK115609 [1,1,0,0,0,0|1,0,0]=3 715 B11R1.166 CC(C1=CC=C(Cl)C=C1Br)=O AK-75637 [1,1,0,0,0,0|1,0,0]=3 716 B11R1.166 CC(C1=CC=C(Cl)N=C1Cl)=O AK-49093 [1,1,0,0,0,0|2,0,0]=4 717 B11R1.166 CC(C1=CC=C(F)C=C1Cl)=O AK-53695 [1,1,0,0,0,0|1,0,0]=3 718 B11R1.166 CC(C1=CC=C(O)C=C1Br)=O AK-75734 [1,1,0,0,0,0|0,0,0]=2 719 B11R1.166 CC(C1=CC=C(O)C=C1C)=O AK-50197 [1,1,0,0,0,0|0,0,0]=2 720 B11R1.166 CC(C1=CC=C(O)C=C1Cl)=O AK-36102 [1,1,0,0,0,0|0,0,0]=2 721 B11R1.166 CC(C1=CC=C(O)C=C1O)=O AK-50224 [1,1,0,0,0,0|0,0,0]=2 722 B11R1.166 CC1=C(C=NC(Cl)=C1)C(O)=O AK-42673 [1,1,0,0,0,0|2,0,0]=4 723 B11R1.166 ClC1=C(C(=O)O)C=CC(=N1)O AK-25883 [1,1,0,0,0,0|1,0,0]=3 724 B11R1.166 ClC1=CC(=C(C=C1)C(C)=O)F AK-46375 [1,1,0,0,0,0|1,0,0]=3 725 B11R1.166 ClC1=CN=C(C(=C1)C)C(=O)O AK-29698 [1,1,0,0,0,0|2,0,0]=4 726 B11R1.166 FC1=C(C(=O)O)C=CC(=C1)I AK-33039 [1,1,0,0,0,0|1,0,0]=3 727 B11R1.166 FC1=NC(=C(C(=O)O)C=C1)C AK-30364 [1,1,0,0,0,0|2,0,0]=4 728 B11R1.166 NC(=O)C1=C(Cl)C=C(O)C=C1 AK108398 [1,1,0,0,0,0|1,0,0]=3 729 B11R1.166 NC(=O)C1=C(N)C=C(F)C=C1 AK-77547 [1,1,0,0,0,0|2,0,0]=4 730 B11R1.166 NC1=C(C(=O)O)C=CC(=N1)Cl AK-31140 [1,1,0,0,0,0|2,0,0]=4 731 B11R1.166 NC1=CC(=C(C=C1)C(C)=O)O AK-34336 [1,1,0,0,0,0|1,0,0]=3 732 B11R1.166 O=C(C1=NC=C(F)C=C1F)O AK-36274 [1,1,0,0,0,0|2,0,0]=4 733 B11R1.166 O=C(C=1C(O)=CC(NC1)=O)O AK-27721 [1,1,0,0,0,0|1,0,1]=4 734 B11R1.166 O=C(N)C1=CC=C(C)C=C1N AK-49754 [1,1,0,0,0,0|2,0,0]=4 735 B11R1.166 O=C(N)C1=CC=C(Cl)C=C1N AK-43520 [1,1,0,0,0,0|2,0,0]=4 736 B11R1.166 O=C(N)C1=CC=C(F)C=C1F AK-86226 [1,1,0,0,0,0|2,0,0]=4 737 B11R1.166 O=C(N)C1=CC=C(I)C=C1Br AK349625 [1,1,0,0,0,0|2,0,0]=4 738 B11R1.166 O=C(O)C1=C(C)N=C(Br)C=C1 AK144236 [1,1,0,0,0,0|2,0,0]=4 739 B11R1.166 O=C(O)C1=C(C)N=C(Cl)C=C1 AK-58691 [1,1,0,0,0,0|2,0,0]=4 740 B11R1.166 O=C(O)C1=C(Cl)N=C(C)C=C1 AK-84877 [1,1,0,0,0,0|2,0,0]=4 741 B11R1.166 O=C(O)C1=C(Cl)N=C(Cl)C=C1 AK-25090 [1,1,0,0,0,0|2,0,0]=4 742 B11R1.166 O=C(O)C1=C(F)N=C(Cl)C=C1 AK120480 [1,1,0,0,0,0|2,0,0]=4 743 B11R1.166 O=C(O)C1=C(N)N=C(Br)C=C1 AK-77320 [1,1,0,0,0,0|2,0,0]=4 744 B11R1.166 O=C(O)C1=C(O)N=C(Cl)C=C1 AK-68352 [1,1,0,0,0,0|2,0,0]=4 745 B11R1.166 O=C(O)C1=CC=C(Br)C=C1Cl AK-40035 [1,1,0,0,0,0|1,0,0]=3 746 B11R1.166 O=C(O)C1=CC=C(Br)C=C1F AK-45932 [1,1,0,0,0,0|1,0,0]=3 747 B11R1.166 O=C(O)C1=CC=C(Br)C=C1I AK-73142 [1,1,0,0,0,0|1,0,0]=3 748 B11R1.166 O=C(O)C1=CC=C(Br)C=C1O AK-44937 [1,1,0,0,0,0|1,0,0]=3 749 B11R1.166 O=C(O)C1=CC=C(C)C=C1Br AK-36340 [1,1,0,0,0,0|1,0,0]=3 750 B11R1.166 O=C(O)C1=CC=C(C)C=C1Cl AK-36338 [1,1,0,0,0,0|1,0,0]=3 751 B11R1.166 O=C(O)C1=CC=C(C)C=C1I AK201253 [1,1,0,0,0,0|1,0,0]=3 752 B11R1.166 O=C(O)C1=CC=C(F)C=C1Br AK-32641 [1,1,0,0,0,0|1,0,0]=3 753 B11R1.166 O=C(O)C1=CC=C(F)C=C1C AK-34672 [1,1,0,0,0,0|1,0,0]=3 754 B11R1.166 O=C(O)C1=CC=C(F)C=C1I AK-29400 [1,1,0,0,0,0|1,0,0]=3 755 B11R1.166 O=C(O)C1=CC=C(F)C=C1N AK-25985 [1,1,0,0,0,0|1,0,0]=3 756 B11R1.166 O=C(O)C1=CC=C(I)C=C1N AK-34047 [1,1,0,0,0,0|1,0,0]=3 757 B11R1.166 O=C(O)C1=CC=C(N)C=C1O AK-46320 [1,1,0,0,0,0|1,0,0]=3 758 B11R1.166 O=C(O)C1=CC=C(O)C=C1C AK-40693 [1,1,0,0,0,0|0,0,0]=2 759 B11R1.166 O=C(O)C1=CC=C(O)C=C1F AK-35989 [1,1,0,0,0,0|0,0,0]=2 760 B11R1.166 O=C(O)C1=CC=C(O)C=C1O AK-88714 [1,1,0,0,0,0|0,0,0]=2 761 B11R1.166 O=C(O)C1=CN=C(Br)C=C1Br AK-55073 [1,1,0,0,0,0|2,0,0]=4 762 B11R1.166 O=C(O)C1=CN=C(Br)C=C1Cl AK161047 [1,1,0,0,0,0|2,0,0]=4 763 B11R1.166 O=C(O)C1=CN=C(C)C=C1C AK-29000 [1,1,0,0,0,0|2,0,0]=4 764 B11R1.166 O=C(O)C1=CN=C(C)C=C1Cl AK-28459 [1,1,0,0,0,0|2,0,0]=4 765 B11R1.166 O=C(O)C1=CN=C(C)C=C1N AK-29804 [1,1,0,0,0,0|2,0,0]=4 766 B11R1.166 O=C(O)C1=CN=C(Cl)C=C1Br AK167576 [1,1,0,0,0,0|2,0,0]=4 767 B11R1.166 O=C(O)C1=CN=C(Cl)C=C1Cl AK-26772 [1,1,0,0,0,0|2,0,0]=4 768 B11R1.166 O=C(O)C1=CN=C(Cl)C=C1N AK121862 [1,1,0,0,0,0|2,0,0]=4 769 B11R1.166 O=C(O)C1=CN=C(F)C=C1C AK123501 [1,1,0,0,0,0|2,0,0]=4 770 B11R1.166 O=C(O)C1=CN=C(F)C=C1F AK-26362 [1,1,0,0,0,0|2,0,0]=4 771 B11R1.166 O=C(O)C1=CN=C(N)C=C1C AK-68341 [1,1,0,0,0,0|2,0,0]=4 772 B11R1.166 O=C(O)C1=CN=C(N)C=C1Cl AK153190 [1,1,0,0,0,0|2,0,0]=4 773 B11R1.166 O=C(O)C1=CN=C(O)C=C1Cl AK-55097 [1,1,0,0,0,0|1,0,0]=3 774 B11R1.166 O=C(O)C1=NC=C(Br)C=C1Cl AK-53906 [1,1,0,0,0,0|2,0,0]=4 775 B11R1.166 O=C(O)C1=NC=C(C)C=C1Br AK-76925 [1,1,0,0,0,0|2,0,0]=4 776 B11R1.166 O=C(O)C1=NC=C(Cl)C=C1Br AK101091 [1,1,0,0,0,0|2,0,0]=4 777 B11R1.166 O=C(O)C1=NC=C(Cl)C=C1N AK120030 [1,1,0,0,0,0|2,0,0]=4 778 B11R1.166 O=C(O)C1=NC=C(F)C=C1Br AK-53675 [1,1,0,0,0,0|2,0,0]=4 779 B11R1.166 O=C([O-])C1=CC=C(N)C=C1O AK154081 [1,1,0,0,0,0|1,0,1]=4 780 B11R1.166 OB(C1=CC=C(O)C=C1C)O AK-29297 [1,1,0,0,0,0|1,0,1]=4 781 B11R1.166 OB(C1=CC=C(O)C=C1Cl)O AK-43746 [1,1,0,0,0,0|1,0,1]=4 782 B11R1.166 OC(=O)C1=C(Br)C=C(I)C=C1 AK-61744 [1,1,0,0,0,0|1,0,0]=3 783 B11R1.166 OC(=O)C1=C(F)C=C(Br)C=N1 AK-53915 [1,1,0,0,0,0|2,0,0]=4 784 B11R1.166 OC(=O)C1=NC=C(Br)C=C1Br AK-30252 [1,1,0,0,0,0|2,0,0]=4 785 B11R1.166 OC(=O)C1=NC=C(F)C=C1Cl AK109963 [1,1,0,0,0,0|2,0,0]=4 786 B11R1.166 OC1=CC(=NC=C1C(=O)O)C AK-25007 [1,1,0,0,0,0|2,0,0]=4 787 B11R1.166 OC1=CC(Cl)=C(C=C1)[N+]([O-])=O AK109849 [1,1,0,0,0,0|1,0,1]=4 788 B11R1.166 OC1=CC=C(B(O)O)C(F)=C1 AK-62257 [1,1,0,0,0,0|1,0,1]=4 789 B11R1.166 OC1=CC=C(C(C)C)C(C)=C1 AK113729 [1,1,0,0,0,0|1,0,1]=4 790 B11R1.166 OC1=CC=C(C(C)C)C(O)=C1 AK-81550 [1,1,0,0,0,0|1,0,1]=4 791 B11R1.166 OC1=CC=C([N+]([O-])=O)C(Br)=C1 AK-76862 [1,1,0,0,0,0|1,0,1]=4 792 B11R1.166 OC1=CC=C([N+]([O-])=O)C(F)=C1 AK-25905 [1,1,0,0,0,0|1,0,1]=4 793 B11R1.166 OC1=CC=C([N+]([O-])=O)C(I)=C1 AK-39967 [1,1,0,0,0,0|1,0,1]=4 794 B11R1.12 COC(C1=CC=CC=C1)CO AK-49663 [1,1,0,0,0,0|0,0,2]=4 795 B11R1.16 C1=C(C(OCC)=O)N=CC=C1 AK-48935 [1,1,0,0,0,0|1,0,0]=3 796 B11R1.16 CCCC(C1=CC=CC=C1)=O AK164430 [1,1,0,0,0,0|1,0,0]=3 797 B11R1.16 CCCC(C1=CC=CN=C1)=O AK123326 [1,1,0,0,0,0|2,0,0]=4 798 B11R1.16 CCOC(=O)C1=NC=CC=N1 AK-85955 [1,1,0,0,0,0|2,0,0]=4 799 B11R1.16 N#CCC(C1=CC=CC=C1)=O AK-43072 [1,1,0,0,0,0|1,0,1]=4 800 B11R1.16 O=C(C1=NC=CN=C1)OCC AK-40036 [1,1,0,0,0,0|2,0,0]=4 801 B11R1.16 O=C(OCC)C1=CC=NC=C1 AK-50699 [1,1,0,0,0,0|1,0,0]=3 802 B11R1.16 O=C(OCC)C1=CN=CC=C1 AK-88428 [1,1,0,0,0,0|1,0,0]=3 803 B11R1.16 O=C(OCCl)C1=CC=CC=C1 AK-86220 [1,1,0,0,0,0|0,0,0]=2 804 B11R1.23 BrC1=CC(=NC=C1)C(=O)OC AK-24538 [1,1,0,0,0,0|1,0,0]=3 805 B11R1.23 C1=C(C=CC=C1C(OC)=O)O AK-47384 [1,1,0,0,0,0|0,0,0]=2 806 B11R1.23 C1=C(C=CC=C1F)C(CBr)=O AK-45729 [1,1,0,0,0,0|2,0,0]=4 807 B11R1.23 C1=C(C=NC=C1C(OC)=O)Br AK-25229 [1,1,0,0,0,0|1,0,0]=3 808 B11R1.23 C1=C(C=NC=C1C)C(OC)=O AK-39649 [1,1,0,0,0,0|1,0,0]=3 809 B11R1.23 C1=C(Cl)C=CN=C1C(OC)=O AK-16616 [1,1,0,0,0,0|1,0,0]=3 810 B11R1.23 C1=C(Cl)N=CC=C1C(OC)=O AK-28605 [1,1,0,0,0,0|1,0,0]=3 811 B11R1.23 C1=C(N=CC=C1C(OC)=O)N AK-25223 [1,1,0,0,0,0|1,0,0]=3 812 B11R1.23 C1=CC=C(N=C1C(OC)=O)C AK-32150 [1,1,0,0,0,0|1,0,0]=3 813 B11R1.23 CC1=CC(C(CBr)=O)=CC=C1 AK-43564 [1,1,0,0,0,0|2,0,0]=4 814 B11R1.23 CCC(=O)C1=CC=CC(Cl)=C1 AK101591 [1,1,0,0,0,0|1,0,0]=3 815 B11R1.23 CCC(C1=CC=CC(F)=C1)=O AK548314 [1,1,0,0,0,0|1,0,0]=3 816 B11R1.23 CCC(C1=CC=CC(O)=C1)=O AK-45536 [1,1,0,0,0,0|1,0,0]=3 817 B11R1.23 CCC(C1=NC=CC(Cl)=C1)=O AK146218 [1,1,0,0,0,0|2,0,0]=4 818 B11R1.23 COC(=O)C1=CC(=O)NC=C1 AK-30181 [1,1,0,0,0,0|1,0,0]=3 819 B11R1.23 COC(=O)C1=CC(Br)=NC=C1 AK-29954 [1,1,0,0,0,0|1,0,0]=3 820 B11R1.23 COC(=O)C1=CC(C)=NC=C1 AK-33626 [1,1,0,0,0,0|1,0,0]=3 821 B11R1.23 COC(=O)C1=CC=CC(=O)N1 AK-64715 [1,1,0,0,0,0|1,0,0]=3 822 B11R1.23 COC(=O)C1=CC=NC(Br)=N1 AK-76962 [1,1,0,0,0,0|2,0,0]=4 823 B11R1.23 COC(=O)C1=NC(Br)=CC=N1 AK110267 [1,1,0,0,0,0|2,0,0]=4 824 B11R1.23 COC(=O)C1=NC(C)=CC=N1 AK100031 [1,1,0,0,0,0|2,0,0]=4 825 B11R1.23 COC(=O)C1=NC=CC(C)=C1 AK-58362 [1,1,0,0,0,0|1,0,0]=3 826 B11R1.23 COC(=O)C1=NC=CC(Cl)=C1 AK-25656 [1,1,0,0,0,0|1,0,0]=3 827 B11R1.23 COC(C1=CC=CC(=N1)Br)=O AK-27818 [1,1,0,0,0,0|1,0,0]=3 828 B11R1.23 ClC1=CC(=CN=N1)C(=O)OC AK-32830 [1,1,0,0,0,0|2,0,0]=4 829 B11R1.23 ClC1=CC(C(CBr)=O)=CC=C1 AK-47073 [1,1,0,0,0,0|2,0,0]=4 830 B11R1.23 ClC1=CC=NC(=C1)C(=O)NC AK-28999 [1,1,0,0,0,0|2,0,0]=4 831 B11R1.23 ClC1=CN=CC(=N1)C(=O)OC AK-29037 [1,1,0,0,0,0|2,0,0]=4 832 B11R1.23 ClC1=NC=CC(=N1)C(=O)OC AK-33388 [1,1,0,0,0,0|2,0,0]=4 833 B11R1.23 FC1=CC=CC(=C1)C(=O)OC AK-47674 [1,1,0,0,0,0|0,0,0]=2 834 B11R1.23 NC1=CC(=CN=C1)C(=O)OC AK-28608 [1,1,0,0,0,0|1,0,0]=3 835 B11R1.23 NC1=CN=CC(=N1)C(=O)OC AK-28731 [1,1,0,0,0,0|2,0,0]=4 836 B11R1.23 NNC(=O)C1=CC(Br)=CC=C1 AK-39193 [1,1,0,0,0,0|2,0,0]=4 837 B11R1.23 NNC(=O)C1=CC(Cl)=CC=C1 AK-60929 [1,1,0,0,0,0|2,0,0]=4 838 B11R1.23 O=C(C1=CC=CC(Cl)=C1)C=O AK-10035 [1,1,0,0,0,0|2,0,0]=4 839 B11R1.23 O=C(C1=NC(Br)=CN=C1)OC AK-39151 [1,1,0,0,0,0|2,0,0]=4 840 B11R1.23 O=C(C1=NC(C)=CN=C1)OC AK130648 [1,1,0,0,0,0|2,0,0]=4 841 B11R1.23 O=C(C1=NC(Cl)=CC=C1)OC AK-51763 [1,1,0,0,0,0|1,0,0]=3 842 B11R1.23 O=C(C1=NC(N)=NC=C1)OC AK-76214 [1,1,0,0,0,0|2,0,0]=4 843 B11R1.23 O=C(C1=NC=CC(N)=C1)OC AK-36192 [1,1,0,0,0,0|1,0,0]=3 844 B11R1.23 O=C(C1=NC=NC(Br)=C1)OC AK152485 [1,1,0,0,0,0|2,0,0]=4 845 B11R1.23 O=C(C1=NC=NC(Cl)=C1)OC AK-64323 [1,1,0,0,0,0|2,0,0]=4 846 B11R1.23 O=C(C=1C=CNC(N1)=O)OC AK-76285 [1,1,0,0,0,0|2,0,0]=4 847 B11R1.23 O=C(C=1NC=NC(C1)=O)OC AK-68874 [1,1,0,0,0,0|2,0,0]=4 848 B11R1.23 O=C(NC)C1=CC=CC(N)=C1 AK-34399 [1,1,0,0,0,0|1,0,0]=3 849 B11R1.23 O=C(NC)C1=NC=CC(Cl)=C1 AK-38402 [1,1,0,0,0,0|2,0,0]=4 850 B11R1.23 O=C(OC)C1=CC=CC(Br)=C1 AK-73031 [1,1,0,0,0,0|0,0,0]=2 851 B11R1.23 O=C(OC)C1=CC=CC(Cl)=C1 AK117218 [1,1,0,0,0,0|0,0,0]=2 852 B11R1.23 O=C(OC)C1=CC=CC(I)=C1 AK-81947 [1,1,0,0,0,0|0,0,0]=2 853 B11R1.23 O=C(OC)C1=CC=CC(N)=C1 AK-43961 [1,1,0,0,0,0|0,0,0]=2 854 B11R1.23 O=C(OC)C1=CC=NC(F)=C1 AK-86837 [1,1,0,0,0,0|1,0,0]=3 855 B11R1.23 O=C(OC)C1=NC(F)=CC=C1 AK-87700 [1,1,0,0,0,0|1,0,0]=3 856 B11R1.23 O=C(OC)C1=NC(N)=CC=C1 AK-37656 [1,1,0,0,0,0|1,0,0]=3 857 B11R1.23 O=C(OC)C1=NC=CC(I)=C1 AK-29979 [1,1,0,0,0,0|1,0,0]=3 858 B11R1.23 OC1=CC(=CN=C1)C(=O)OC AK-47062 [1,1,0,0,0,0|1,0,0]=3 859 B11R1.36 CC(C(C1=CC=CC=C1)=O)=O AK116651 [1,1,0,0,0,0|1,0,0]=3 860 B11R1.222 BrC1=CN=CN=C1C(=O)OC AK-25053 [1,1,0,0,0,0|2,0,0]=4 861 B11R1.222 BrC1=NC=CN=C1C(=O)OC AK-30735 [1,1,0,0,0,0|2,0,0]=4 862 B11R1.222 C1=C(C(=O)OC)C(=NC=C1)F AK-25162 [1,1,0,0,0,0|1,0,0]=3 863 B11R1.222 C1=CC=CC(=C1C(OC)=O)Br AK-72980 [1,1,0,0,0,0|0,0,0]=2 864 B11R1.222 C1=CC=NC(=C1C(OC)=O)Cl AK-44999 [1,1,0,0,0,0|1,0,0]=3 865 B11R1.222 C1=CC=NC(=C1C(OC)=O)N AK-27747 [1,1,0,0,0,0|1,0,0]=3 866 B11R1.222 C1=CN=C(C(=N1)C(OC)=O)N AK-29912 [1,1,0,0,0,0|2,0,0]=4 867 B11R1.222 CC1=C(C(=O)OC)C=CC=N1 AK-27990 [1,1,0,0,0,0|1,0,0]=3 868 B11R1.222 CCC(C1=CC=CC=C1Cl)=O AK-86142 [1,1,0,0,0,0|1,0,0]=3 869 B11R1.222 COC(=O)C1=C(C)N=CC=N1 AK-97091 [1,1,0,0,0,0|2,0,0]=4 870 B11R1.222 COC(=O)C1=C(C=NC=C1)I AK-23705 [1,1,0,0,0,0|1,0,0]=3 871 B11R1.222 COC(=O)C1=C(N)C=CC=C1 AK-41339 [1,1,0,0,0,0|0,0,0]=2 872 B11R1.222 COC(=O)C1=CC=NNC1=O AK100226 [1,1,0,0,0,0|2,0,0]=4 873 B11R1.222 COC(=O)C1=CN=CN=C1O AK-26014 [1,1,0,0,0,0|2,0,0]=4 874 B11R1.222 COC(=O)C1=NC=CC=C1C AK-61199 [1,1,0,0,0,0|1,0,0]=3 875 B11R1.222 ClC1=C(N=CC=C1)C(=O)OC AK-23912 [1,1,0,0,0,0|1,0,0]=3 876 B11R1.222 ClC1=NC=CN=C1C(=O)OC AK-39173 [1,1,0,0,0,0|2,0,0]=4 877 B11R1.222 FC1=CC=CC=C1C(CF)=O AK198962 [1,1,0,0,0,0|2,0,0]=4 878 B11R1.222 NC1=NC=NC=C1C(=O)OC AK-30806 [1,1,0,0,0,0|2,0,0]=4 879 B11R1.222 NCC(=O)C1=C(C=CC=C1)F AK-70904 [1,1,0,0,0,0|2,0,0]=4 880 B11R1.222 O=C(C#N)C1=CC=CC=C1F AK154692 [1,1,0,0,0,0|2,0,0]=4 881 B11R1.222 O=C(C1=CC=CNC1=O)OC AK-28355 [1,1,0,0,0,0|1,0,0]=3 882 B11R1.222 O=C(C1=NC=CC=C1Br)OC AK-28556 [1,1,0,0,0,0|1,0,0]=3 883 B11R1.222 O=C(C1=NC=CC=C1F)OC AK-30151 [1,1,0,0,0,0|1,0,0]=3 884 B11R1.222 O=C(C1=NC=CC=C1O)OC AK-26201 [1,1,0,0,0,0|1,0,0]=3 885 B11R1.222 O=C(C1=NC=CN=C1I)OC AK-30597 [1,1,0,0,0,0|2,0,0]=4 886 B11R1.222 O=C(NC)C1=CC=CC=C1N AK-26614 [1,1,0,0,0,0|1,0,0]=3 887 B11R1.222 O=C(NN)C1=CC=CC=C1O AK167835 [1,1,0,0,0,0|2,0,0]=4 888 B11R1.222 O=C(OC)C1=C(O)N=CC=C1 AK-54451 [1,1,0,0,0,0|1,0,0]=3 889 B11R1.222 O=C(OC)C1=CC=CC=C1C AK174020 [1,1,0,0,0,0|0,0,0]=2 890 B11R1.222 O=C(OC)C1=CC=CC=C1Cl AK161838 [1,1,0,0,0,0|0,0,0]=2 891 B11R1.222 O=C(OC)C1=CC=CC=C1I AK-76653 [1,1,0,0,0,0|0,0,0]=2 892 B11R1.222 O=C(OC)C1=CC=CC=C1S AK554462 [1,1,0,0,0,0|0,0,0]=2 893 B11R1.222 O=C(OC)C1=CC=NC=C1Br AK-46004 [1,1,0,0,0,0|1,0,0]=3 894 B11R1.222 O=C(OC)C1=CC=NC=C1N AK-28029 [1,1,0,0,0,0|1,0,0]=3 895 B11R1.222 O=C(OC)C1=CC=NC=C1O AK-49202 [1,1,0,0,0,0|1,0,0]=3 896 B11R1.222 O=C(OC)C1=CN=CC=C1C AK-39773 [1,1,0,0,0,0|1,0,0]=3 897 B11R1.222 O=C(OC)C1=CN=CC=C1N AK-25475 [1,1,0,0,0,0|1,0,0]=3 898 B11R1.222 O=C(OC)C1=NC=CC=C1N AK-29219 [1,1,0,0,0,0|1,0,0]=3 899 B11R1.222 OC1=CC=CC=C1C(NO)=O AK-48843 [1,1,0,0,0,0|2,0,0]=4 900 B11R1.222 OC1=NC=CN=C1C(=O)OC AK-39232 [1,1,0,0,0,0|2,0,0]=4 901 B11R1.15 CCOC(=O)C1=CC(Br)=CS1 AK-80911 [0,1,0,0,1,0|2,0,0]=4 902 B11R1.15 CCOC(=O)C1=CC(Cl)=CS1 AK100368 [0,1,0,0,1,0|2,0,0]=4 903 B11R1.15 CCOC(=O)C1=CC(N)=CN1 AK-28276 [0,1,0,0,1,0|2,0,0]=4 904 B11R1.15 CCOC(=O)C1=CC=C(C)N1 AK-34707 [0,1,0,0,1,0|2,0,0]=4 905 B11R1.15 CCOC(=O)C1=CSC(Br)=C1 AK-63364 [0,1,0,0,1,0|2,0,0]=4 906 B11R1.15 ClC1=CC=C(S1)C(=O)OCC AK-35710 [0,1,0,0,1,0|2,0,0]=4 907 B11R1.15 O=C(C1=CC(Br)=CN1)OCC AK-28330 [0,1,0,0,1,0|2,0,0]=4 908 B11R1.15 O=C(C1=CC=C(Br)S1)OCC AK-35711 [0,1,0,0,1,0|2,0,0]=4 909 B11R1.15 O=C(C1=NNC(O)=C1)OCC AK-78074 [0,1,0,0,1,0|2,0,0]=4 910 B11R1.44 C(=O)C1=CC=C(S1)C(=O)OC AK-48442 [0,1,0,0,1,0|1,0,1]=4 911 B11R1.44 O=C(C1=CSC(C=O)=C1)OC AK-40083 [0,1,0,0,1,0|1,0,1]=4 912 B11R1.225 O=C(C1=C(Br)NC(Br)=C1)OC AK151326 [0,1,0,0,1,0|2,0,0]=4 913 B11R1.225 O=C(C1=C(N)C=C(Br)S1)OC AK-77276 [0,1,0,0,1,0|2,0,0]=4 914 B11R1.225 O=C(C1=C(N)C=C(C)S1)OC AK-79409 [0,1,0,0,1,0|2,0,0]=4 915 B11R1.225 O=C(C1=C(N)C=C(I)S1)OC AK-51537 [0,1,0,0,1,0|2,0,0]=4 916 B11R1.225 O=C(C1=C(N)SC(C)=C1)OC AK-33917 [0,1,0,0,1,0|2,0,0]=4 917 B11R1.225 O=C(C1=C(N)SC(Cl)=C1)OC AK153104 [0,1,0,0,1,0|2,0,0]=4 918 B11R1.225 O=C(C1=C(O)C=C(Cl)S1)OC AK-38695 [0,1,0,0,1,0|2,0,0]=4 919 B11R1.225 O=C(C1=CC(Br)=CN1N)OC AK170281 [0,1,0,0,1,0|2,0,0]=4 920 B11R1.225 OC1=C(SC(=C1)C)C(=O)OC AK-38893 [0,1,0,0,1,0|2,0,0]=4 921 B11R1.226 NC1=C(SC(=C1)C(=O)OC)Cl AK-22057 [0,1,0,0,1,0|2,0,0]=4 922 B11R1.226 O=C(C1=CC(Br)=C(Cl)S1)OC AK174199 [0,1,0,0,1,0|2,0,0]=4 923 B11R1.226 O=C(C1=CC(N)=C(N)S1)OC AK122523 [0,1,0,0,1,0|2,0,0]=4 924 B11R1.226 O=C(C1=NN(C)C(O)=C1)OC AK-40521 [0,1,0,0,1,0|2,0,0]=4 925 B11R1.865 C1=C(C(=C(S1)C(OC)=O)N)C AK-27691 [0,1,0,0,1,0|2,0,0]=4 926 B11R1.865 COC(=O)C1=C(F)C(Br)=CS1 AK-30329 [0,1,0,0,1,0|2,0,0]=4 927 B11R1.865 COC(=O)C1=CSC(C)=C1N AK-80920 [0,1,0,0,1,0|2,0,0]=4 928 B13R1.5 O=C(OC)CC1=CC=C(C#N)C=C1 AK-44381 [0,1,0,0,0,1|1,0,0]=3 929 B13R1.5 O=C(OC)CC1=CC=C(C=O)C=C1 AK116482 [0,1,0,0,0,1|0,0,1]=3 930 B13R1.5 O=C(OC)CC1=CC=C(CBr)C=C1 AK122522 [0,1,0,0,0,1|1,0,0]=3 931 B13R1.19 C1=C(CC(OCC)=O)C=CC(=C1)O AK-62643 [0,1,0,0,0,1|0,0,0]=2 932 B13R1.19 C1=CC(=CC=C1CC(OCC)=O)Br AK-73014 [0,1,0,0,0,1|1,0,0]=3 933 B13R1.19 C1=CC(=CC=C1CC(OCC)=O)Cl AK-45269 [0,1,0,0,0,1|1,0,0]=3 934 B13R1.19 C1=CC(=CC=C1CC(OCC)=O)F AK-35766 [0,1,0,0,0,1|1,0,0]=3 935 B13R1.19 O=C(OCC)CC1=CC=C(N)C=C1 AK-77257 [0,1,0,0,0,1|1,0,0]=3 936 B13R1.19 O=C(OCC)CC1=CC=C(N)N=C1 AK165027 [0,1,0,0,0,1|2,0,0]=4 937 B13R1.21 C1=C(C(N)C(OC)=O)C=CC(=C1)O AK-41671 [0,1,0,0,0,1|0,0,0]=2 938 B13R1.21 O=C(OC)C(Br)C1=CC=C(Cl)C=C1 AK155416 [0,1,0,0,0,1|1,0,0]=3 939 B13R1.21 O=C(OC)C(C1=CC=C(Br)C=C1)=O AK143703 [0,1,0,0,0,1|1,0,0]=3 940 B13R1.21 O=C(OC)C(N)C1=CC=C(Cl)C=C1 AK-77680 [0,1,0,0,0,1|1,0,0]=3 941 B13R1.21 O=C(OC)[C@H](N)C1=CC=C(O)C=C1 AK-44703 [0,1,0,0,0,1|0,0,0]=2 942 B13R1.2679 C1=CC(=CC(=C1CC(OC)=O)Cl)Cl AK-47321 [0,1,0,0,0,1|1,0,0]=3 943 B13R1.2679 COC(=O)CC1=C(F)C=C(O)C=C1 AK105108 [0,1,0,0,0,1|0,0,0]=2 944 B13R1.2679 O=C(OC)CC1=CC=C(Br)C=C1F AK116839 [0,1,0,0,0,1|1,0,0]=3 945 B13R1.2679 O=C(OC)CC1=CC=C(F)C=C1Cl AK-61682 [0,1,0,0,0,1|1,0,0]=3 946 B13R1.2879 COC(=O)CC1=CC(Cl)=C(Cl)C=C1 AK-87030 [0,1,0,0,0,1|1,0,0]=3 947 B13R1.2879 COC(=O)CC1=CC(F)=C(C)C=C1 AK-76805 [0,1,0,0,0,1|1,0,0]=3 948 B13R1.2879 COC(=O)CC1=CC(N)=C(Cl)C=C1 AK-79577 [0,1,0,0,0,1|1,0,0]=3 949 B13R1.2879 O=C(OC)CC1=CC=C(O)C(C)=C1 AK-26220 [0,1,0,0,0,1|0,0,0]=2 950 B13R1.95 COC(=O)C1=C(Br)C=C(OC)C=C1 AK-41153 [0,2,0,0,0,0|0,0,0]=2 951 B13R1.95 COC(=O)C1=C(N)C=C(OC)C=C1 AK-44370 [0,2,0,0,0,0|0,0,0]=2 952 B13R1.95 O=C(OC)C1=C(Cl)N=C(OC)C=C1 AK128815 [0,2,0,0,0,0|1,0,0]=3 953 B13R1.95 O=C(OC)C1=CC=C(C#N)C=C1C AK112712 [0,2,0,0,0,0|1,0,0]=3 954 B13R1.95 O=C(OC)C1=CC=C(C#N)C=C1F AK116997 [0,2,0,0,0,0|1,0,0]=3 955 B13R1.95 O=C(OC)C1=CC=C(C=O)C=C1F AK-90622 [0,2,0,0,0,0|0,0,1]=3 956 B13R1.95 O=C(OC)C1=CC=C(CBr)C=C1Br AK-80074 [0,2,0,0,0,0|1,0,0]=3 957 B13R1.95 O=C(OC)C1=CC=C(OC)C=C1O AK-89760 [0,2,0,0,0,0|0,0,0]=2 958 B13R1.95 O=C(OC)C1=NC=C(C=O)C=C1Cl AK682486 [0,2,0,0,0,0|1,0,1]=4 959 B13R1.139 COC(=O)C1=CC=C(CCBr)C=C1 AK102538 [0,2,0,0,0,0|1,0,0]=3 960 B13R1.139 O=C(OC)C1=CC=C(CC#N)C=C1 AK-45258 [0,2,0,0,0,0|1,0,0]=3 961 B13R1.452 CCOC(=O)C1=CC=C(C=O)C=C1 AK-68272 [0,2,0,0,0,0|0,0,1]=3 962 B13R1.452 O=C(C1=NC=C(OC)N=C1)OCC AK100389 [0,2,0,0,0,0|2,0,0]=4 963 B13R1.452 O=C(OCC)C1=CC=C(C#C)C=C1 AK-83790 [0,2,0,0,0,0|1,0,0]=3 964 B13R1.452 O=C(OCC)C1=CC=C(C#N)C=C1 AK-76640 [0,2,0,0,0,0|1,0,0]=3 965 B13R1.452 O=C(OCC)C1=CC=C(CN)C=C1 AK312480 [0,2,0,0,0,0|1,0,0]=3 966 B13R1.452 O=C(OCC)C1=CC=C(OC)C=C1 AK114590 [0,2,0,0,0,0|0,0,0]=2 967 B13R1.452 O=C(OCC)C1=CN=C(C#N)C=C1 AK-53949 [0,2,0,0,0,0|2,0,0]=4 968 B13R1.452 O=C(OCC)C1=CN=C(CBr)C=C1 AK-39612 [0,2,0,0,0,0|2,0,0]=4 969 B13R1.452 O=C(OCC)C1=CN=C(CN)C=C1 AK161056 [0,2,0,0,0,0|2,0,0]=4 970 B13R1.452 O=C(OCC)C1=NC=C(CO)C=C1 AK127214 [0,2,0,0,0,0|1,0,0]=3 971 B13R1.537 C1=C(C(=O)C)C=CC(=C1)C(OC)=O AK-47491 [0,2,0,0,0,0|0,0,1]=3 972 B13R1.537 C1=CC(=CC=C1C(O)=O)C(OC)=O AK-46603 [0,2,0,0,0,0|0,0,0]=2 973 B13R1.537 COC(=O)C1=CC=C(C=C1)[C@H](C)N AK-79719 [0,2,0,0,0,0|1,0,0]=3 974 B13R1.537 NOC(C1=CC=C([N+]([O-])=O)C=C1)=O AK-76237 [0,2,0,0,0,0|1,0,1]=4 975 B13R1.537 O=C(C1=CC=C(B(O)O)C=C1)OC AK-45488 [0,2,0,0,0,0|0,0,0]=2 976 B13R1.537 O=C(C1=NC=C(C(OC)=O)C=C1)O AK-23793 [0,2,0,0,0,0|1,0,0]=3 977 B13R1.537 O=C(O)C1=CC=C(C(CBr)=O)C=C1 AK-77555 [0,2,0,0,0,0|2,0,0]=4 978 B13R1.537 O=C(OC)C1=CC=C(C(Br)C)C=C1 AK159832 [0,2,0,0,0,0|1,0,0]=3 979 B13R1.537 O=C(OC)C1=CC=C(C(Cl)=O)C=C1 AK-54512 [0,2,0,0,0,0|0,0,1]=3 980 B13R1.537 O=C(OC)C1=CC=C(C(N)=N)C=C1 AK184288 [0,2,0,0,0,0|1,0,0]=3 981 B13R1.537 O=C(OC)C1=CC=C(C(N)C)C=C1 AK157267 [0,2,0,0,0,0|1,0,0]=3 982 B13R1.537 O=C(OC)C1=CC=C([C@@H](N)C)C=C1 AK126757 [0,2,0,0,0,0|1,0,0]=3 983 B13R1.537 O=C(OC)C1=CN=C(C(N)=N)C=C1 AK133504 [0,2,0,0,0,0|2,0,0]=4 984 B13R1.537 O=C(OC)C1=NC=C(C(Br)Br)C=C1 AK166960 [0,2,0,0,0,0|2,0,0]=4 985 B13R1.3088 CCC(C1=CC=C(OC)C(F)=C1)=O AK116127 [0,2,0,0,0,0|1,0,0]=3 986 B13R1.3088 COC(=O)C1=CC(Br)=C(C=O)C=C1 AK100357 [0,2,0,0,0,0|0,0,1]=3 987 B13R1.3088 COC(=O)C1=CC(Cl)=C(C=C1)C#N AK110533 [0,2,0,0,0,0|1,0,0]=3 988 B13R1.3088 COC(=O)C1=CC(F)=C(C=O)C=C1 AK-77093 [0,2,0,0,0,0|0,0,1]=3 989 B13R1.3088 COC(=O)C1=CN=C(OC)C(Cl)=C1 AK-70260 [0,2,0,0,0,0|1,0,0]=3 990 B13R1.3088 COC(C1=CC(=C(C=C1)OC)O)=O AK-30110 [0,2,0,0,0,0|0,0,0]=2 991 B13R1.3088 O=C(OC)C1=CC=C(C#N)C(C)=C1 AK-79398 [0,2,0,0,0,0|1,0,0]=3 992 B13R1.3088 O=C(OC)C1=CC=C(C#N)C(F)=C1 AK-61304 [0,2,0,0,0,0|1,0,0]=3 993 B13R1.3088 O=C(OC)C1=CC=C(C=O)C(Cl)=C1 AK-51472 [0,2,0,0,0,0|0,0,1]=3 994 B13R1.3088 O=C(OC)C1=CC=C(CBr)C(Cl)=C1 AK-76673 [0,2,0,0,0,0|1,0,0]=3 995 B13R1.3088 O=C(OC)C1=CC=C(CBr)C(F)=C1 AK-46362 [0,2,0,0,0,0|1,0,0]=3 996 B13R1.3088 O=C(OC)C1=CC=C(CC)C(I)=C1 AK133686 [0,2,0,0,0,0|1,0,0]=3 997 B13R1.3088 O=C(OC)C1=CC=C(CO)C(F)=C1 AK137968 [0,2,0,0,0,0|0,0,0]=2 998 B13R1.3088 O=C(OC)C1=CN=C(OC)C(F)=C1 AK128807 [0,2,0,0,0,0|1,0,0]=3 999 B13R1.3088 O=C(OC)C1=CN=C(OC)C(O)=C1 AK159055 [0,2,0,0,0,0|1,0,0]=3 1000 B13R1.3088 O=C(OC)C1=NC(Br)=C(OC)C=C1 AK-59851 [0,2,0,0,0,0|1,0,0]=3 1001 B13R1.29 O=S(C1=CC=C(C)C=C1)(OCC)=O AK198644 [0,2,0,0,0,0|2,0,0]=4 1002 B13R1.29 O=S(C1=CC=C(C)C=C1)(OCF)=O AK154788 [0,2,0,0,0,0|2,0,0]=4 1003 B13R1.272 C1=C(C(=CC=C1[S](NC)(=O)=O)O)N AK-36422 [0,2,0,0,0,0|2,0,0]=4 1004 B13R1.17 C1=C(C=CC(=C1)O)C(CCCC)=O AK-47484 [0,2,0,0,0,0|1,0,0]=3 1005 B13R1.17 CCCCC(C1=CC=C(C)C=C1)=O AK-60992 [0,2,0,0,0,0|2,0,0]=4 1006 B13R1.17 O=C(C1=CC=C(Br)C=C1)CCCCl AK112424 [0,2,0,0,0,0|2,0,0]=4 1007 B13R1.17 O=C(C1=CC=C(F)C=C1)CCCCl AK106983 [0,2,0,0,0,0|2,0,0]=4 1008 B13R1.17 O=C(C1=CC=C(O)C=C1)CCCCl AK114574 [0,2,0,0,0,0|1,0,0]=3 1009 B13R1.17 O=C(OCCC)C1=CC=C(O)C=C1 AK106260 [0,2,0,0,0,0|0,0,0]=2 1010 B13R1.17 O=C(OCCO)C1=CC=C(O)C=C1 AK135792 [0,2,0,0,0,0|0,0,0]=2 1011 B13R1.17 [O-]C1=CC=C(C(OCCC)=O)C=C1 AK121813 [0,2,0,0,0,0|0,0,1]=3 1012 B13R1.132 O=C(OC(C)C)C1=CC=C(O)C=C1 AK116636 [0,2,0,0,0,0|0,0,0]=2 1013 B13R1.466 CCOC(=O)C1=CC(Br)=C(N)C=C1 AK110900 [0,2,0,0,0,0|1,0,0]=3 1014 B13R1.466 CCOC(=O)C1=CC(F)=C(Cl)C=C1 AK104624 [0,2,0,0,0,0|1,0,0]=3 1015 B13R1.466 CCOC(=O)C1=CC(O)=C(I)N=C1 AK-37988 [0,2,0,0,0,0|2,0,0]=4 1016 B13R1.466 NC1=C(C=C(C(=O)OCC)C=C1)F AK-10093 [0,2,0,0,0,0|1,0,0]=3 1017 B13R1.466 NC1=C(C=CC(=C1)C(=O)OCC)F AK-35238 [0,2,0,0,0,0|1,0,0]=3 1018 B13R1.466 O=C(OCC)C1=CC=C(Br)C(F)=C1 AK137434 [0,2,0,0,0,0|1,0,0]=3 1019 B13R1.466 O=C(OCC)C1=CC=C(Br)C(O)=C1 AK142787 [0,2,0,0,0,0|1,0,0]=3 1020 B13R1.466 O=C(OCC)C1=CC=C(C)C(F)=C1 AK145970 [0,2,0,0,0,0|1,0,0]=3 1021 B13R1.466 O=C(OCC)C1=CC=C(C)C(N)=C1 AK-38562 [0,2,0,0,0,0|1,0,0]=3 1022 B13R1.466 O=C(OCC)C1=CC=C(Cl)C(Cl)=C1 AK177807 [0,2,0,0,0,0|1,0,0]=3 1023 B13R1.466 O=C(OCC)C1=CC=C(F)C(F)=C1 AK-51251 [0,2,0,0,0,0|1,0,0]=3 1024 B13R1.466 O=C(OCC)C1=CC=C(I)C(Br)=C1 AK146307 [0,2,0,0,0,0|1,0,0]=3 1025 B13R1.466 O=C(OCC)C1=CC=C(N)C(Cl)=C1 AK-44773 [0,2,0,0,0,0|1,0,0]=3 1026 B13R1.466 O=C(OCC)C1=CC=C(O)C(O)=C1 AK-48218 [0,2,0,0,0,0|0,0,0]=2 1027 B13R1.466 O=C(OCC)C1=CN=C(C)C(N)=C1 AK123285 [0,2,0,0,0,0|2,0,0]=4 1028 B13R1.466 O=C(OCC)C1=NC(Br)=C(C)C=C1 AK138647 [0,2,0,0,0,0|2,0,0]=4 1029 B13R1.466 O=C(OCC)C1=NC(Cl)=C(Br)C=C1 AK100456 [0,2,0,0,0,0|2,0,0]=4 1030 B13R1.466 O=C(OCC)C1=NC(Cl)=C(C)C=C1 AK109751 [0,2,0,0,0,0|2,0,0]=4 1031 B13R1.466 O=C(OCC)C1=NC(O)=C(Br)C=C1 AK100463 [0,2,0,0,0,0|2,0,0]=4 1032 B13R1.466 O=C(OCC)C1=NC=C(C)C(Cl)=C1 AK138861 [0,2,0,0,0,0|2,0,0]=4 1033 B13R1.1511 CCCC(=O)C1=C(O)C=C(O)C=C1 AK-87537 [0,2,0,0,0,0|1,0,0]=3 1034 B13R1.1511 CCOC(=O)C1=C(F)C=C(Br)C=C1 AK104625 [0,2,0,0,0,0|1,0,0]=3 1035 B13R1.1511 O=C(C1=CN=C(O)N=C1N)OCC AK-26664 [0,2,0,0,0,0|2,0,0]=4 1036 B13R1.1511 O=C(OCC)C1=CC=C(F)C=C1F AK-51252 [0,2,0,0,0,0|1,0,0]=3 1037 B13R1.1511 O=C(OCC)C1=CC=C(F)C=C1N AK105858 [0,2,0,0,0,0|1,0,0]=3 1038 B13R1.1511 O=C(OCC)C1=CN=C(Cl)C=C1Cl AK-25933 [0,2,0,0,0,0|2,0,0]=4 1039 B13R1.1511 O=C(OCC)C1=CN=C(Cl)C=C1N AK-43871 [0,2,0,0,0,0|2,0,0]=4 1040 B13R1.1511 O=C(OCC)C1=CN=C(O)C=C1O AK-36145 [0,2,0,0,0,0|1,0,0]=3 1041 B13R1.510 O=C(N(C)C)C1=CC=C(N)C(C)=C1 AK124462 [0,2,0,0,0,0|2,0,0]=4 1042 B13R1.525 CC(C)(C)C(C1=CC=C(Br)C=C1)=O AK111536 [0,2,0,0,0,0|2,0,0]=4 1043 B13R1.49 C(#N)C1=C(C=CC(=C1)C(=O)OC)F AK-26251 [0,2,0,0,0,0|1,0,0]=3 1044 B13R1.49 C1=C(C(OC)=O)C=CC(=C1OC)N AK-24247 [0,2,0,0,0,0|1,0,0]=3 1045 B13R1.49 CCC(=O)C1=CC(OC)=C(O)C=C1 AK-46437 [0,2,0,0,0,0|1,0,0]=3 1046 B13R1.49 COC(=O)C1=CC(C#N)=C(O)C=C1 AK-64379 [0,2,0,0,0,0|0,0,0]=2 1047 B13R1.49 COC(=O)C1=CC(OC)=C(Cl)N=C1 AK-43266 [0,2,0,0,0,0|2,0,0]=4 1048 B13R1.49 COC(=O)C1=CC(OC)=C(O)C=C1 AK-45552 [0,2,0,0,0,0|0,0,0]=2 1049 B13R1.49 O=C(OC)C1=CC=C(Br)C(OC)=C1 AK-39896 [0,2,0,0,0,0|1,0,0]=3 1050 B13R1.49 O=C(OC)C1=CC=C(C)C(C#N)=C1 AK136726 [0,2,0,0,0,0|1,0,0]=3 1051 B13R1.49 O=C(OC)C1=CC=C(N)C(C#N)=C1 AK149953 [0,2,0,0,0,0|1,0,0]=3 1052 B13R1.49 O=C(OC)C1=NC(C#N)=C(Br)C=C1 AK123533 [0,2,0,0,0,0|2,0,0]=4 1053 B13R1.49 O=C(OC)C1=NC(OC)=C(Br)C=C1 AK100459 [0,2,0,0,0,0|2,0,0]=4 1054 B13R1.49 O=C(OC)C1=NC=C(Br)C(OC)=C1 AK141802 [0,2,0,0,0,0|2,0,0]=4 1055 B13R1.49 O=CC1=CC(C(CBr)=O)=CC=C1O AK-94419 [0,2,0,0,0,0|2,0,0]=4 1056 B13R1.1807 COC(=O)C1=C(O)C=C(C)C(Br)=C1 AK-82138 [0,2,0,0,0,0|1,0,0]=3 1057 B13R1.1807 NC1=C(C(=O)OC)C=C(C(=C1)F)F AK-47490 [0,2,0,0,0,0|1,0,0]=3 1058 B13R1.1807 NC1=NC(=C(C=C1Br)Br)C(=O)OC AK-86608 [0,2,0,0,0,0|2,0,0]=4 1059 B13R1.1807 O=C(C1=CC(F)=C(Cl)N=C1Cl)OC AK327351 [0,2,0,0,0,0|2,0,0]=4 1060 B13R1.1807 O=C(OC)C1=CC(Br)=C(C)C=C1C AK-93268 [0,2,0,0,0,0|1,0,0]=3 1061 B13R1.1807 O=C(OC)C1=CC(C)=C(N)C=C1C AK113234 [0,2,0,0,0,0|1,0,0]=3 1062 B13R1.1807 O=C(OC)C1=CC(F)=C(Br)C=C1F AK164351 [0,2,0,0,0,0|1,0,0]=3 1063 B13R1.1807 O=C(OC)C1=CC(F)=C(F)C=C1F AK142197 [0,2,0,0,0,0|1,0,0]=3 1064 B13R1.1807 O=C(OC)C1=CC(F)=C(N)C=C1F AK151293 [0,2,0,0,0,0|1,0,0]=3 1065 B13R1.1807 O=C(OC)C1=CC(I)=C(Cl)C=C1N AK141784 [0,2,0,0,0,0|1,0,0]=3 1066 B13R1.1807 O=C(OC)C1=CC(I)=C(N)C=C1C AK-90232 [0,2,0,0,0,0|1,0,0]=3 1067 B13R1.1807 O=C(OC)C1=CC(N)=C(C)C=C1Br AK167386 [0,2,0,0,0,0|1,0,0]=3 1068 B13R1.1807 O=C(OC)C1=CC(N)=C(F)C=C1F AK-39062 [0,2,0,0,0,0|1,0,0]=3 1069 B13R1.1808 COC(=O)C1=C(C)C(N)=C(C)C=C1 AK-93381 [0,2,0,0,0,0|1,0,0]=3 1070 B13R1.1808 COC(=O)C1=C(N)C(F)=C(F)C=C1 AK-80528 [0,2,0,0,0,0|1,0,0]=3 1071 B13R1.1808 O=C(OC)C1=CC=C(Br)C(C)=C1F AK162977 [0,2,0,0,0,0|1,0,0]=3 1072 B13R1.1808 O=C(OC)C1=CC=C(Br)C(O)=C1C AK340066 [0,2,0,0,0,0|1,0,0]=3 1073 B13R1.1808 O=C(OC)C1=CC=C(C)C(Br)=C1C AK158600 [0,2,0,0,0,0|1,0,0]=3 1074 B13R1.1808 O=C(OC)C1=CC=C(O)C(O)=C1C AK151360 [0,2,0,0,0,0|0,0,0]=2 1075 B13R1.2678 COC(=O)C1=CC(C)=C(N)C(C)=C1 AK-93377 [0,2,0,0,0,0|1,0,0]=3 1076 B13R1.2678 COC(=O)C1=CC(F)=C(F)C(F)=C1 AK-69373 [0,2,0,0,0,0|1,0,0]=3 1077 B13R1.2678 COC(=O)C1=CC(I)=C(O)C(I)=C1 AK-89497 [0,2,0,0,0,0|0,0,0]=2 1078 B13R1.2678 O=C(C=1C=C(Br)C(N(C1)C)=O)OC AK126038 [0,2,0,0,0,0|1,0,1]=4 1079 B13R1.2678 O=C(OC)C1=CC(Br)=C(C)C(N)=C1 AK139831 [0,2,0,0,0,0|1,0,0]=3 1080 B13R1.2678 O=C(OC)C1=CC(C)=C(Br)C(C)=C1 AK136449 [0,2,0,0,0,0|1,0,0]=3 1081 B13R1.2678 O=C(OC)C1=CC(Cl)=C(Cl)C(Br)=C1 AK-68105 [0,2,0,0,0,0|1,0,0]=3 1082 B13R1.2678 O=C(OC)C1=CC(Cl)=C(Cl)C(N)=C1 AK-68103 [0,2,0,0,0,0|1,0,0]=3 1083 B13R1.2678 O=C(OC)C1=CC(Cl)=C(N)C(Cl)=C1 AK160944 [0,2,0,0,0,0|1,0,0]=3 1084 B13R1.2678 O=C(OC)C1=CC(Cl)=C(O)C(Cl)=C1 AK-89774 [0,2,0,0,0,0|0,0,0]=2 1085 B13R1.2678 O=C(OC)C1=CC(F)=C(C)C(Br)=C1 AK164254 [0,2,0,0,0,0|1,0,0]=3 1086 B13R1.2678 O=C(OC)C1=CC(F)=C(Cl)C(Br)=C1 AK139020 [0,2,0,0,0,0|1,0,0]=3 1087 B13R1.2678 O=C(OC)C1=CC(F)=C(O)C(F)=C1 AK126686 [0,2,0,0,0,0|0,0,0]=2 1088 B13R1.2678 O=C(OC)C1=CC(O)=C(I)C(O)=C1 AK141789 [0,2,0,0,0,0|1,0,0]=3 1089 B13R1.2678 O=C(OC)C1=CC(O)=C(O)C(O)=C1 AK-94175 [0,2,0,0,0,0|0,0,0]=2 1090 B13R1.2065 BrC1=CC(=C(C(=O)OC)C=C1)CBr AK-26333 [0,2,0,0,0,0|1,0,0]=3 1091 B13R1.2065 COC(=O)C1=C(C=C(Cl)C=C1)C#N AK-46968 [0,2,0,0,0,0|1,0,0]=3 1092 B13R1.2065 COC(=O)C1=C(OC)C=C(Br)C=C1 AK-41376 [0,2,0,0,0,0|1,0,0]=3 1093 B13R1.2065 COC(=O)C1=CC=C(O)C=C1OC AK-46436 [0,2,0,0,0,0|0,0,0]=2 1094 B13R1.2065 COC(C1=C(C=C(C=C1)Cl)CBr)=O AK-48994 [0,2,0,0,0,0|1,0,0]=3 1095 B13R1.2065 O=C(OC)C1=C(OC)N=C(Br)C=C1 AK138895 [0,2,0,0,0,0|2,0,0]=4 1096 B13R1.2065 O=C(OC)C1=C(OC)N=C(Cl)C=C1 AK-51086 [0,2,0,0,0,0|2,0,0]=4 1097 B13R1.2065 O=C(OC)C1=CC=C(Br)C=C1C#N AK204322 [0,2,0,0,0,0|1,0,0]=3 1098 B13R1.2065 O=C(OC)C1=CC=C(C)C=C1OC AK-38348 [0,2,0,0,0,0|1,0,0]=3 1099 B13R1.2065 O=C(OC)C1=CC=C(N)C=C1OC AK-61740 [0,2,0,0,0,0|1,0,0]=3 1100 B13R1.4656 COC(=O)C1=C(C)C=C(O)C=C1C AK102815 [0,2,0,0,0,0|0,0,0]=2 1101 B13R1.4656 COC(=O)C1=C(Cl)C=C(Br)C=C1C AK109854 [0,2,0,0,0,0|1,0,0]=3 1102 B13R1.4656 COC(=O)C1=C(F)C=C(N)C=C1F AK-79143 [0,2,0,0,0,0|1,0,0]=3 1103 B13R1.4656 O=C(OC)C1=C(C)C=C(F)C=C1Br AK167226 [0,2,0,0,0,0|1,0,0]=3 1104 B13R1.4656 O=C(OC)C1=C(C)C=C(F)C=C1C AK-79664 [0,2,0,0,0,0|1,0,0]=3 1105 B13R1.4656 O=C(OC)C1=C(Cl)N=C(C)C=C1C AK137313 [0,2,0,0,0,0|2,0,0]=4 1106 B13R1.4656 O=C(OC)C1=C(Cl)N=C(Cl)C=C1C AK-50925 [0,2,0,0,0,0|2,0,0]=4 1107 B13R1.4656 O=C(OC)C1=C(Cl)N=C(Cl)C=C1Cl AK132797 [0,2,0,0,0,0|2,0,0]=4 1108 B13R1.4656 O=C(OC)C1=C(F)C=C(Br)C=C1F AK-80096 [0,2,0,0,0,0|1,0,0]=3 1109 B13R1.4656 O=C(OC)C1=C(F)C=C(F)C=C1N AK127740 [0,2,0,0,0,0|1,0,0]=3 1110 B13R1.4656 O=C(OC)C1=C(N)N=C(Cl)C=C1Cl AK-32733 [0,2,0,0,0,0|2,0,0]=4 1111 B13R1.4656 O=C(OC)C1=C(O)C=C(Br)C=C1F AK138299 [0,2,0,0,0,0|1,0,0]=3 1112 B13R1.4656 O=C(OC)C1=C(O)C=C(F)C=C1F AK-37604 [0,2,0,0,0,0|1,0,0]=3 1113 B11R2.34 OC1=CC=C(C2CC2)C=C1 AK-80032 [1,0,0,1,0,0|1,0,1]=4 1114 B11R2.36 BrC1=CC2=C(C=C1)C=CC2 AK113550 [1,0,0,1,0,0|2,0,0]=4 1115 B11R2.36 OC1=CC2=C(C=NO2)C=C1 AK-24400 [1,0,0,1,0,0|2,0,0]=4 1116 B11R2.36 OC1=CC2=C(NCC2)C=C1 AK-60844 [1,0,0,1,0,0|2,0,0]=4 1117 B11R2.1 C1=CC=CC2=C1C(CC2)=O AK-44115 [1,0,0,1,0,0|1,0,0]=3 1118 B11R2.1 C1=CC=CC2=C1C(CO2)=O AK-45365 [1,0,0,1,0,0|2,0,0]=4 1119 B11R2.1 CC1=CCC2=CC=CC=C12 AK-79878 [1,0,0,1,0,0|2,0,0]=4 1120 B11R2.1 NC1=NCC2=C1C=CC=C2 AK166973 [1,0,0,1,0,0|2,0,0]=4 1121 B11R2.1 O=C1C2=CC=CC=C2SC1 AK-29817 [1,0,0,1,0,0|2,0,0]=4 1122 B11R2.1 O=C1CCC2=CC=CN=C21 AK-29125 [1,0,0,1,0,0|2,0,0]=4 1123 B11R2.1 O=C1NCC2=C1C=CC=C2 AK-68456 [1,0,0,1,0,0|1,0,0]=3 1124 B11R2.1 O=C1NCC2=C1C=CC=N2 AK103949 [1,0,0,1,0,0|2,0,0]=4 1125 B11R2.1 O=C1NCC2=C1C=CN=C2 AK173131 [1,0,0,1,0,0|2,0,0]=4 1126 B11R2.1 O=C1OCC2=C1C=CC=C2 AK-78719 [1,0,0,1,0,0|0,0,0]=2 1127 B11R2.1 O=C1OCC2=NC=CC=C12 AK-45766 [1,0,0,1,0,0|1,0,0]=3 1128 B13R2.3683 BrC1=CC=C2C(=C1)CNC(C2)=O AK-31039 [0,0,0,1,0,1|2,0,0]=4 1129 B13R2.3683 BrC1=CC=C2NC(CCC2=C1)=O AK-27042 [0,0,0,1,0,1|2,0,0]=4 1130 B13R2.3683 BrC1=CC=C2OC(=O)CCC2=C1 AK-72713 [0,0,0,1,0,1|2,0,0]=4 1131 B13R2.3683 O=C1CC2=C(C=C(O)C=C2)CC1 AK-28510 [0,0,0,1,0,1|1,0,0]=3 1132 B13R2.3683 O=C1CCC2=C(O1)C=CC(I)=C2 AK544562 [0,0,0,1,0,1|2,0,0]=4 1133 B13R2.3683 O=C1NC2=C(C=C(Br)C=C2)CN1 AK-42603 [0,0,0,1,0,1|2,0,0]=4 1134 B13R2.3683 O=C1NC2=C(C=C(N)C=C2)CC1 AK-92956 [0,0,0,1,0,1|2,0,0]=4 1135 B13R2.3683 O=C1NC2=C(C=C(O)C=C2)C=C1 AK-33910 [0,0,0,1,0,1|1,0,1]=4 1136 B13R2.3683 O=C1NC2=C(C=C(O)C=C2)CC1 AK-75703 [0,0,0,1,0,1|1,0,0]=3 1137 B13R2.2130 C1=C(C=C2C(=C1)C(CC2)=O)C#N AK-29946 [0,1,0,1,0,0|2,0,0]=4 1138 B13R2.2130 C1=CC(=CC2=C1C(CC2)=O)OC AK-29324 [0,1,0,1,0,0|1,0,0]=3 1139 B13R2.2130 COC1=CC2=C(C=C1)C(=O)N=C2 AK-89608 [0,1,0,1,0,0|1,0,1]=4 1140 B13R2.2130 N#CC1=CC2=C(C(OC2)=O)C=C1 AK-88401 [0,1,0,1,0,0|1,0,0]=3 1141 B13R2.2130 O=C1C=CC2=C1C=CC(OC)=C2 AK103210 [0,1,0,1,0,0|1,0,1]=4 1142 B13R2.2130 O=C1OCC2=C1C=CC(OC)=C2 AK340709 [0,1,0,1,0,0|0,0,0]=2 1143 B13R2.662 COC1=NNC2=CC(Br)=CC=C12 AK100493 [0,1,0,1,0,0|2,0,0]=4 1144 B13R2.520 O=C(C1=CC=C(Br)C=C1)C2CC2 AK105987 [0,1,0,1,0,0|2,0,0]=4 1145 B13R2.5179 ClC1=CC=C2C(=C1)OCCC2=O AK-33825 [0,1,0,1,0,0|2,0,0]=4 1146 B13R2.5179 O=C1CCCC2=C1C=CC(Br)=C2 AK-30099 [0,1,0,1,0,0|2,0,0]=4 1147 B13R2.5179 O=C1CCCC2=C1C=CC(C)=C2 AK153238 [0,1,0,1,0,0|2,0,0]=4 1148 B13R2.5179 O=C1CCCC2=C1C=CC(Cl)=C2 AK113501 [0,1,0,1,0,0|2,0,0]=4 1149 B13R2.5179 O=C1CCCC2=C1C=CC(I)=C2 AK-65229 [0,1,0,1,0,0|2,0,0]=4 1150 B13R2.5179 O=C1CCCC2=C1C=CC(O)=C2 AK-29202 [0,1,0,1,0,0|1,0,0]=3 1151 B13R2.5179 O=C1CCNC2=C1C=CC(Cl)=C2 AK173227 [0,1,0,1,0,0|2,0,0]=4 1152 B13R2.5179 O=C1CCOC2=C1C=CC(Br)=C2 AK-28455 [0,1,0,1,0,0|2,0,0]=4 1153 B13R2.5179 O=C1CCOC2=C1C=CC(C)=C2 AK201267 [0,1,0,1,0,0|2,0,0]=4 1154 B13R2.5179 O=C1CCOC2=C1C=CC(F)=C2 AK-30532 [0,1,0,1,0,0|2,0,0]=4 1155 B13R2.5179 O=C1CCOC2=C1C=CC(N)=C2 AK552506 [0,1,0,1,0,0|2,0,0]=4 1156 B13R2.5179 O=C1NC=CC2=C1C=CC(O)=C2 AK120908 [0,1,0,1,0,0|1,0,1]=4 1157 B13R2.5179 O=C1NCCC2=C1C=CC(C)=C2 AK119787 [0,1,0,1,0,0|2,0,0]=4 1158 B13R2.5179 O=C1NCCC2=C1C=CC(Cl)=C2 AK-25613 [0,1,0,1,0,0|2,0,0]=4 1159 B13R2.5179 O=C1NCCC2=C1C=CC(O)=C2 AK-25612 [0,1,0,1,0,0|1,0,0]=3 1160 B13R2.5187 C1=C(Cl)C=CC2=C1C(OC2=O)=O AK-75678 [0,1,0,1,0,0|1,0,1]=4 1161 B13R2.5187 CN1N=C(N)C2=CC=C(O)C=C12 AK-70450 [0,1,0,1,0,0|2,0,0]=4 1162 B13R2.5187 O=C1NC(C2=C1C=CC(O)=C2)=O AK135321 [0,1,0,1,0,0|1,0,1]=4 1163 B13R2.5187 O=C1OC(C2=C1C=CC(Br)=C2)=O AK-76808 [0,1,0,1,0,0|1,0,1]=4 1164 B13R2.5187 O=C1OC(C2=C1C=CC(O)=C2)=O AK153929 [0,1,0,1,0,0|0,0,1]=3 1165 B13R2.5190 O=C1C(C)CC2=C1C=CC(Cl)=C2 AK141512 [0,1,0,1,0,0|2,0,0]=4 1166 B13R2.5190 O=C1C(C)CC2=C1C=CC(F)=C2 AK117249 [0,1,0,1,0,0|2,0,0]=4 1167 B13R2.5190 O=C1N(C)CC2=C1C=CC(Br)=C2 AK-37748 [0,1,0,1,0,0|2,0,0]=4 1168 B13R2.5180 O=C1CCC2=C1C=CC(Br)=C2C AK172698 [0,1,0,1,0,0|2,0,0]=4 1169 B13R2.5180 O=C1CCC2=C1C=CC(Br)=C2Cl AK544260 [0,1,0,1,0,0|2,0,0]=4 1170 B13R2.5180 O=C1CCC2=C1C=CC(Br)=C2F AK172729 [0,1,0,1,0,0|2,0,0]=4 1171 B13R2.5180 O=C1CCC2=C1C=CC(C)=C2Br AK544512 [0,1,0,1,0,0|2,0,0]=4 1172 B13R2.5180 O=C1CCC2=C1C=CC(C)=C2C AK167546 [0,1,0,1,0,0|2,0,0]=4 1173 B13R2.5180 O=C1CCC2=C1C=CC(Cl)=C2Br AK172730 [0,1,0,1,0,0|2,0,0]=4 1174 B13R2.5180 O=C1CCC2=C1C=CC(Cl)=C2Cl AK172633 [0,1,0,1,0,0|2,0,0]=4 1175 B13R2.5180 O=C1CCC2=C1C=CC(Cl)=C2F AK333178 [0,1,0,1,0,0|2,0,0]=4 1176 B13R2.5180 O=C1CCC2=C1C=CC(F)=C2F AK-35917 [0,1,0,1,0,0|2,0,0]=4 1177 B13R2.11634 O=C1CCC2=C1C=C(Br)C(C)=C2 AK172726 [0,1,0,1,0,0|2,0,0]=4 1178 B13R2.11634 O=C1CCC2=C1C=C(Br)C(F)=C2 AK163765 [0,1,0,1,0,0|2,0,0]=4 1179 B13R2.11634 O=C1CCC2=C1C=C(C)C(Br)=C2 AK172660 [0,1,0,1,0,0|2,0,0]=4 1180 B13R2.11634 O=C1CCC2=C1C=C(Cl)C(Br)=C2 AK548533 [0,1,0,1,0,0|2,0,0]=4 1181 B13R2.11634 O=C1CCC2=C1C=C(Cl)C(C)=C2 AK148605 [0,1,0,1,0,0|2,0,0]=4 1182 B13R2.11634 O=C1CCC2=C1C=C(Cl)C(Cl)=C2 AK-42221 [0,1,0,1,0,0|2,0,0]=4 1183 B13R2.11634 O=C1CCC2=C1C=C(Cl)C(F)=C2 AK134277 [0,1,0,1,0,0|2,0,0]=4 1184 B13R2.11634 O=C1CCC2=C1C=C(F)C(Br)=C2 AK172693 [0,1,0,1,0,0|2,0,0]=4 1185 B13R2.11634 O=C1CCC2=C1C=C(F)C(Cl)=C2 AK314370 [0,1,0,1,0,0|2,0,0]=4 1186 B13R2.11634 O=C1CCC2=C1C=C(F)C(F)=C2 AK-33543 [0,1,0,1,0,0|2,0,0]=4 1187 B13R2.11634 OC1=C(O)C=C2C(=O)CCC2=C1 AK-49336 [0,1,0,1,0,0|1,0,0]=3 1188 B13R2.11642 CC1=CC(C)=C2C(=O)CCC2=C1 AK-79892 [0,1,0,1,0,0|2,0,0]=4 1189 B13R2.11642 FC1=C2C(=O)CCC2=CC(Br)=C1 AK110329 [0,1,0,1,0,0|2,0,0]=4 1190 B13R2.11642 O=C1CCC2=C1C(Br)=CC(Br)=C2 AK183919 [0,1,0,1,0,0|2,0,0]=4 1191 B13R2.11642 O=C1CCC2=C1C(Cl)=CC(O)=C2 AK172752 [0,1,0,1,0,0|1,0,0]=3 1192 B13R2.11642 O=C1CCC2=C1C(F)=CC(Cl)=C2 AK-78557 [0,1,0,1,0,0|2,0,0]=4 1193 B9R1.35 BrC1=CC(=CS1)C(=O)O AK-28622 [1,0,0,0,1,0|2,0,0]=4 1194 B9R1.35 BrC1=CC(=CS1)C(C)=O AK-35777 [1,0,0,0,1,0|2,0,0]=4 1195 B9R1.35 C1=C(OC(=C1)Br)C(O)=O AK-35759 [1,0,0,0,1,0|2,0,0]=4 1196 B9R1.35 C1=C(OC(=C1)C)C(O)=O AK-44799 [1,0,0,0,1,0|2,0,0]=4 1197 B9R1.35 C1=C(SC(=C1)C(O)=O)Cl AK-29045 [1,0,0,0,1,0|2,0,0]=4 1198 B9R1.35 C1=C(SC(=C1)C)C(=O)C AK-33183 [1,0,0,0,1,0|2,0,0]=4 1199 B9R1.35 C1=C(SC(=C1)Cl)C(C)=O AK-47623 [1,0,0,0,1,0|2,0,0]=4 1200 B9R1.35 CC(=O)C1=CC=C(C)O1 AK-77189 [1,0,0,0,1,0|2,0,0]=4 1201 B9R1.35 CC(C1=CC(Cl)=CS1)=O AK-77338 [1,0,0,0,1,0|2,0,0]=4 1202 B9R1.35 CC1=CC=C(N1)C(O)=O AK100045 [1,0,0,0,1,0|2,0,0]=4 1203 B9R1.35 CN1C=CC(=C1)C(O)=O AK-28665 [1,0,0,0,1,0|2,0,0]=4 1204 B9R1.35 ClC1=CC(=CS1)C(=O)O AK-29222 [1,0,0,0,1,0|2,0,0]=4 1205 B9R1.35 O=C(C1=CC(Br)=CS1)O AK-24697 [1,0,0,0,1,0|2,0,0]=4 1206 B9R1.35 O=C(C1=CC(O)=NO1)O AK-58553 [1,0,0,0,1,0|2,0,0]=4 1207 B9R1.35 O=C(C1=CC=C(Br)S1)O AK-26297 [1,0,0,0,1,0|2,0,0]=4 1208 B9R1.35 O=C(C1=CC=C(C)S1)O AK-25546 [1,0,0,0,1,0|2,0,0]=4 1209 B9R1.35 O=C(C1=CC=C(Cl)O1)O AK-94156 [1,0,0,0,1,0|2,0,0]=4 1210 B9R1.35 O=C(C1=CC=C(F)S1)O AK-35162 [1,0,0,0,1,0|2,0,0]=4 1211 B9R1.35 O=C(C1=CC=C(I)S1)O AK113691 [1,0,0,0,1,0|2,0,0]=4 1212 B9R1.35 O=C(C1=CNC(C)=C1)O AK-78330 [1,0,0,0,1,0|2,0,0]=4 1213 B9R1.35 O=C(O)C1=CC(Br)=CO1 AK-41331 [1,0,0,0,1,0|2,0,0]=4 1214 B9R1.35 OC(=O)C1=CC(Br)=CN1 AK-27737 [1,0,0,0,1,0|2,0,0]=4 1215 B9R1.35 OC(=O)C1=CC(Cl)=CS1 AK-89071 [1,0,0,0,1,0|2,0,0]=4 1216 B9R1.35 OC(=O)C1=CC(F)=CS1 AK-29152 [1,0,0,0,1,0|2,0,0]=4 1217 B9R1.35 OC(=O)C1=CC=C(Br)N1 AK100216 [1,0,0,0,1,0|2,0,0]=4 1218 B9R1.35 OC(=O)C1=NNC(O)=C1 AK-96196 [1,0,0,0,1,0|2,0,0]=4 1219 B9R1.11 C1=C(C(=O)OC)SC=N1 AK-29865 [1,0,0,0,1,0|2,0,0]=4 1220 B9R1.11 COC(=O)C1=CNC=C1 AK-39320 [1,0,0,0,1,0|1,0,0]=3 1221 B9R1.11 COC(=O)C1=COC=N1 AK100835 [1,0,0,0,1,0|2,0,0]=4 1222 B9R1.11 COC(=O)C1=NC=CO1 AK109950 [1,0,0,0,1,0|2,0,0]=4 1223 B9R1.11 O=C(C1=CC=CN1)OC AK-27729 [1,0,0,0,1,0|1,0,0]=3 1224 B9R1.11 O=C(C1=CC=CS1)OC AK-48323 [1,0,0,0,1,0|1,0,0]=3 1225 B9R1.11 O=C(C1=CN=CN1)OC AK-25496 [1,0,0,0,1,0|2,0,0]=4 1226 B9R1.11 O=C(C1=CN=CN1)OC AK-40808 [1,0,0,0,1,0|2,0,0]=4 1227 B9R1.11 O=C(C1=CNN=C1)OC AK-65272 [1,0,0,0,1,0|2,0,0]=4 1228 B9R1.11 O=C(C1=CSC=C1)OC AK-48045 [1,0,0,0,1,0|1,0,0]=3 1229 B9R1.11 O=C(C1=CSC=N1)OC AK-21853 [1,0,0,0,1,0|2,0,0]=4 1230 B9R1.11 O=C(C1=NC=CN1)OC AK-59662 [1,0,0,0,1,0|2,0,0]=4 1231 B9R1.11 O=C(C1=NC=CS1)OC AK-50497 [1,0,0,0,1,0|2,0,0]=4 1232 B9R1.11 O=C(C1=NNC=C1)OC AK-31981 [1,0,0,0,1,0|2,0,0]=4 1233 B11R1.40 C=CC(NC1=CC=CC=C1)=O AK122185 [1,0,0,0,0,1|1,0,1]=4 1234 B11R1.40 NNC(=O)CC1=CC=CC=C1 AK-77117 [1,0,0,0,0,1|2,0,0]=4 1235 B11R1.40 O=C(NC)CC1=CC=CN=C1 AK175433 [1,0,0,0,0,1|2,0,0]=4 1236 B11R1.40 O=C(NC1=CC=CC=C1)CCl AK-95957 [1,0,0,0,0,1|2,0,0]=4 1237 B11R1.40 O=C(OC)CC1=CC=CC=C1 AK163377 [1,0,0,0,0,1|0,0,0]=2 1238 B11R1.40 O=C(OC)CC1=NC=CN=C1 AK-45166 [1,0,0,0,0,1|2,0,0]=4 1239 B11R1.40 O=C(OC)CC1=NC=NC=C1 AK-47129 [1,0,0,0,0,1|2,0,0]=4 1240 B11R1.40 O=C(OC)OC1=CC=CC=C1 AK600729 [1,0,0,0,0,1|0,0,0]=2 1241 B11R1.40 O=C(OC1=CC=CC=C1)CBr AK105971 [1,0,0,0,0,1|2,0,0]=4 1242 B13R1.14 BrC1=CC=C(C=C1)CCC(=O)OC AK-39981 [0,0,0,0,0,2|1,0,0]=3 1243 B13R1.14 COC(=O)/C=C/C1=CC=C(O)C=C1 AK109487 [0,0,0,0,0,2|0,0,0]=2 1244 B13R1.14 O=C(OC)CCC1=CC=C(I)C=C1 AK209542 [0,0,0,0,0,2|1,0,0]=3 1245 B13R1.14 O=C(OC)CCC1=CC=C(N)C=C1 AK-64364 [0,0,0,0,0,2|1,0,0]=3 1246 B13R1.14 O=C(OC)CCC1=CC=C(N)C=C1 AK175380 [0,0,0,0,0,2|1,0,0]=3 1247 B13R1.14 O=C(OC)CCC1=CC=C(O)C=C1 AK-35645 [0,0,0,0,0,2|0,0,0]=2 1248 B13R1.14 O=C(OC)CNC1=CC=C(O)C=C1 AK-88073 [0,0,0,0,0,2|0,0,0]=2 1249 B13R1.14 O=C(OC)\C=C\C1=CC=C(Br)C=C1 AK117162 [0,0,0,0,0,2|1,0,0]=3 1250 B13R1.14 O=C(OC)\C=C\C1=CC=C(O)C=C1 AK-49067 [0,0,0,0,0,2|0,0,0]=2