0 B12R2.612 BrC1=CC=C2C(=C1)[NH]N=C2O AK-36726 [0,0,0,0,0,0|3,1,0]=4 1 B12R2.612 BrC1=CC=C2C(NCC2=C1)=O AK-29385 [0,0,0,0,0,0|2,1,1]=4 2 B12R2.612 C1=C(C=CC2=C1CCC2=O)Cl AK-31971 [0,0,0,0,0,0|2,1,1]=4 3 B12R2.612 CC1=CC=C2C(N)CCC2=C1 AK-60573 [0,0,0,0,0,0|4,0,0]=4 4 B12R2.612 FC1=CC2=C(C(=NO2)N)C=C1 AK-24372 [0,0,0,0,0,0|4,0,0]=4 5 B12R2.612 FC1=CC2=C(C=C1)C(Br)=NN2 AK-31633 [0,0,0,0,0,0|4,0,0]=4 6 B12R2.612 FC1=CC=C2C(=O)NOC2=C1 AK100150 [0,0,0,0,0,0|3,0,1]=4 7 B12R2.612 FC1=CC=C2C(Cl)=NOC2=C1 AK-67876 [0,0,0,0,0,0|4,0,0]=4 8 B12R2.612 NC1=CC=C2C(NCC2=C1)=O AK-34184 [0,0,0,0,0,0|3,0,1]=4 9 B12R2.612 NC1CCC2=C1C=CC(Cl)=C2 AK-31447 [0,0,0,0,0,0|3,1,0]=4 10 B12R2.612 N[C@@H]1CCC2=C1C=CC(Br)=C2 AK175313 [0,0,0,0,0,0|3,1,0]=4 11 B12R2.612 N[C@@H]1CCC2=C1C=CC(Cl)=C2 AK-76304 [0,0,0,0,0,0|3,1,0]=4 12 B12R2.612 N[C@@H]1CCC2=C1C=CC(Cl)=C2 AK544242 [0,0,0,0,0,0|3,1,0]=4 13 B12R2.612 N[C@@H]1CCC2=C1C=CC(F)=C2 AK-42485 [0,0,0,0,0,0|3,0,0]=3 14 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 AK-51085 [0,0,0,0,0,0|3,1,0]=4 15 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 AK-76305 [0,0,0,0,0,0|3,1,0]=4 16 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 AK544243 [0,0,0,0,0,0|3,1,0]=4 17 B12R2.612 O=C1CCC2=C1C=CC(Br)=C2 AK-25818 [0,0,0,0,0,0|2,1,1]=4 18 B12R2.612 O=C1CCC2=C1C=CC(C)=C2 AK-41812 [0,0,0,0,0,0|3,0,1]=4 19 B12R2.612 O=C1CCC2=C1C=CC(F)=C2 AK-26274 [0,0,0,0,0,0|2,0,1]=3 20 B12R2.612 O=C1CCC2=C1C=CC(I)=C2 AK-29326 [0,0,0,0,0,0|2,1,1]=4 21 B12R2.612 O=C1CCC2=C1C=CC(N)=C2 AK-34777 [0,0,0,0,0,0|3,0,1]=4 22 B12R2.612 O=C1NNC2=C1C=CC(F)=C2 AK-99888 [0,0,0,0,0,0|3,0,1]=4 23 B12R2.612 O=C1NSC2=CC(F)=CC=C12 AK126238 [0,0,0,0,0,0|3,0,1]=4 24 B12R2.612 O=C1OCC2=C1C=CC(Br)=C2 AK-35968 [0,0,0,0,0,0|1,1,1]=3 25 B12R2.612 O=C1OCC2=C1C=CC(Cl)=C2 AK161984 [0,0,0,0,0,0|1,1,1]=3 26 B12R2.612 OB1OCC2=CC(F)=CC=C12 AK163946 [0,0,0,0,0,0|0,0,0]=0 27 B12R2.612 OC1CCC2=C1C=CC(Cl)=C2 AK109538 [0,0,0,0,0,0|2,1,0]=3 28 B11R2.1 C1=CC=CC2=C1C(CC2)=O AK-44115 [1,0,0,0,0,0|2,0,1]=4 29 B11R2.1 CC1=CCC2=CC=CC=C12 AK-79878 [1,0,0,0,0,0|3,0,0]=4 30 B11R2.1 NC1=NCC2=C1C=CC=C2 AK166973 [1,0,0,0,0,0|3,0,0]=4 31 B11R2.1 NC1CCC2=C1C=CC=C2 AK-44750 [1,0,0,0,0,0|3,0,0]=4 32 B11R2.1 NC1CCC2=CC=CC=C12 AK-96028 [1,0,0,0,0,0|3,0,0]=4 33 B11R2.1 N[C@@H]1CCC2=C1C=CC=C2 AK-44891 [1,0,0,0,0,0|3,0,0]=4 34 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 AK-89530 [1,0,0,0,0,0|3,0,0]=4 35 B11R2.1 O=C1NCC2=C1C=CC=C2 AK-68456 [1,0,0,0,0,0|2,0,1]=4 36 B11R2.1 O=C1OCC2=C1C=CC=C2 AK-78719 [1,0,0,0,0,0|1,0,1]=3 37 B11R2.1 O=C1OCC2=NC=CC=C12 AK-45766 [1,0,0,0,0,0|2,0,1]=4 38 B11R2.1 OC1=NNC2=C1C=CC=C2 AK136349 [1,0,0,0,0,0|3,0,0]=4 39 B11R2.1 OC1CCC2=C1C=CC=C2 AK151987 [1,0,0,0,0,0|2,0,0]=3 40 B11R2.1 OC1CCC2=CC=CN=C21 AK-72486 [1,0,0,0,0,0|3,0,0]=4 41 B11R2.36 BrC1=CC2=C(C=C1)C=CC2 AK113550 [1,0,0,0,0,0|2,1,0]=4 42 B11R2.36 BrC1=CC2=C(CNC2)C=C1 AK-33061 [1,0,0,0,0,0|2,1,0]=4 43 B11R2.36 BrC1=CC2=C(NCC2)C=C1 AK-34182 [1,0,0,0,0,0|2,1,0]=4 44 B11R2.36 BrC1=CC2=NON=C2C=C1 AK-32042 [1,0,0,0,0,0|2,1,0]=4 45 B11R2.36 ClC1=CC2=C(CNC2)C=C1 AK-68483 [1,0,0,0,0,0|2,1,0]=4 46 B11R2.36 ClC1=CC=C2OCCC2=C1 AK143639 [1,0,0,0,0,0|2,1,0]=4 47 B11R2.36 FC1=CC2=C(C=C1)C=CN2 AK-26628 [1,0,0,0,0,0|3,0,0]=4 48 B11R2.36 FC1=CC2=C(CCC2)C=C1 AK105101 [1,0,0,0,0,0|2,0,0]=3 49 B11R2.36 FC1=CC2=C(CNC2)C=C1 AK-65030 [1,0,0,0,0,0|2,0,0]=3 50 B11R2.36 FC1=CC2=C(NC=C2)C=C1 AK-30363 [1,0,0,0,0,0|2,0,1]=4 51 B11R2.36 FC1=CC2=C(OC=C2)C=C1 AK-81560 [1,0,0,0,0,0|2,0,1]=4 52 B11R2.36 FC1=CC=C2C(=C1)[NH]N=C2 AK-25822 [1,0,0,0,0,0|3,0,0]=4 53 B11R2.36 FC1=CC=C2NC=NC2=C1 AK126224 [1,0,0,0,0,0|3,0,0]=4 54 B11R2.36 FC1=CC=C2[NH]N=CC2=C1 AK-23828 [1,0,0,0,0,0|2,0,1]=4 55 B11R2.36 NC1=CC=C2OCCC2=C1 AK109466 [1,0,0,0,0,0|3,0,0]=4 56 B11R2.36 OC1=CC2=C(NCC2)C=C1 AK-60844 [1,0,0,0,0,0|3,0,0]=4 57 B13R2.2130 N#CC1=CC2=C(C(OC2)=O)C=C1 AK-88401 [0,1,0,0,0,0|2,0,1]=4 58 B13R2.2130 O=C1OCC2=C1C=CC(OC)=C2 AK340709 [0,1,0,0,0,0|2,0,1]=4 59 B13R2.5180 O=C1CCC2=C1C=CC(F)=C2F AK-35917 [0,1,0,0,0,0|2,0,1]=4 60 B13R2.5190 O=C1C(C)CC2=C1C=CC(F)=C2 AK117249 [0,1,0,0,0,0|2,0,1]=4 61 B13R2.11634 O=C1CCC2=C1C=C(Br)C(F)=C2 AK163765 [0,1,0,0,0,0|2,0,1]=4 62 B13R2.11634 O=C1CCC2=C1C=C(Cl)C(F)=C2 AK134277 [0,1,0,0,0,0|2,0,1]=4 63 B13R2.11634 O=C1CCC2=C1C=C(F)C(F)=C2 AK-33543 [0,1,0,0,0,0|2,0,1]=4 64 B13R2.11642 NC1CCC2=C1C(F)=CC(F)=C2 AK317107 [0,1,0,0,0,0|3,0,0]=4 65 B11R1.22 C1=C(C=CC(=C1)Br)C(OC)=O AK-47340 [0,0,1,0,0,0|1,1,1]=4 66 B11R1.22 C1=C(C=CC(=C1)N)C(OC)=O AK-48394 [0,0,1,0,0,0|2,0,1]=4 67 B11R1.22 CCC(C1=CC=C(F)C=C1)=O AK-77665 [0,0,1,0,0,0|2,0,1]=4 68 B11R1.22 COC(=O)C1=CC=C(Cl)C=C1 AK-57163 [0,0,1,0,0,0|1,1,1]=4 69 B11R1.22 FC1=CC=C(C=N1)C(=O)OC AK-40001 [0,0,1,0,0,0|2,0,1]=4 70 B11R1.22 NC(C1=CC=C(F)C=C1)CC AK470003 [0,0,1,0,0,0|3,0,0]=4 71 B11R1.22 N[C@@H](C1=CC=C(F)C=C1)CC AK-42100 [0,0,1,0,0,0|3,0,0]=4 72 B11R1.22 N[C@H](C1=CC=C(F)C=C1)CC AK-42091 [0,0,1,0,0,0|3,0,0]=4 73 B11R1.22 O=C(OC)C1=CC=C(C)C=C1 AK110414 [0,0,1,0,0,0|2,0,1]=4 74 B11R1.22 O=C(OC)C1=CC=C(F)C=C1 AK-45398 [0,0,1,0,0,0|1,0,1]=3 75 B11R1.22 O=C(OC)C1=CC=C(I)C=C1 AK-45406 [0,0,1,0,0,0|1,1,1]=4 76 B11R1.22 O=C(OC)C1=CC=C(O)C=C1 AK-54335 [0,0,1,0,0,0|2,0,1]=4 77 B11R1.24 OCCCC1=CC=CC(Br)=C1 AK106570 [0,0,1,0,0,0|2,1,0]=4 78 B11R1.37 BrC1=CC=C(CO)C(CO)=C1 AK173578 [0,0,1,0,0,0|1,1,0]=3 79 B11R1.37 COC1=C(CO)C=C(F)C=C1 AK-37523 [0,0,1,0,0,0|2,0,0]=3 80 B11R1.37 COC1=CC=C(F)C=C1CBr AK113238 [0,0,1,0,0,0|3,0,0]=4 81 B11R1.37 COC1=NC=C(F)C=C1CO AK-36653 [0,0,1,0,0,0|3,0,0]=4 82 B11R1.37 FC1=CC=C(C#N)C(CBr)=C1 AK-41704 [0,0,1,0,0,0|3,0,0]=4 83 B11R1.166 C1=C(C(=CC=C1C)B(O)O)Cl AK-39980 [0,0,1,0,0,0|2,0,0]=3 84 B11R1.166 C1=C(C(=CC=C1N)C(=O)O)C AK-27038 [0,0,1,0,0,0|2,0,1]=4 85 B11R1.166 C1=C(Cl)C=CC(=C1F)B(O)O AK-33526 [0,0,1,0,0,0|1,1,0]=3 86 B11R1.166 C1=C(F)C=CC(=C1F)B(O)O AK-33282 [0,0,1,0,0,0|1,0,0]=2 87 B11R1.166 C1=C(N=C(C(=C1)B(O)O)Cl)Cl AK-29883 [0,0,1,0,0,0|2,1,0]=4 88 B11R1.166 C1=CC(=CC(=C1B(O)O)Cl)Cl AK-36109 [0,0,1,0,0,0|1,1,0]=3 89 B11R1.166 C1=CC(=CC(=C1C(O)=O)C)Br AK-26260 [0,0,1,0,0,0|1,1,1]=4 90 B11R1.166 C1=CC(=CC(=C1C(O)=O)C)C AK-47303 [0,0,1,0,0,0|2,0,1]=4 91 B11R1.166 C1=CC(=CC(=C1C(O)=O)C)Cl AK-32606 [0,0,1,0,0,0|1,1,1]=4 92 B11R1.166 C1=CC(=CC(=C1C(O)=O)F)F AK-49138 [0,0,1,0,0,0|2,0,1]=4 93 B11R1.166 C1=CC(=CC(=C1C(O)=O)O)F AK-29195 [0,0,1,0,0,0|2,0,1]=4 94 B11R1.166 CC1=C(B(O)O)C=CC(F)=N1 AK-36820 [0,0,1,0,0,0|1,0,0]=2 95 B11R1.166 CC1=C(C=CC(=C1)C)B(O)O AK-35632 [0,0,1,0,0,0|1,0,0]=2 96 B11R1.166 CC1=CC(F)=CC=C1[N+]([O-])=O AK-35196 [0,0,1,0,0,0|1,0,2]=4 97 B11R1.166 CC1=CC=C(B(O)O)C(C)=N1 AK-36123 [0,0,1,0,0,0|2,0,0]=3 98 B11R1.166 ClC1=CC(=C(C=C1)B(O)O)C AK-28971 [0,0,1,0,0,0|0,1,0]=2 99 B11R1.166 ClC1=CC(Cl)=C(B(O)O)C=N1 AK-37053 [0,0,1,0,0,0|2,1,0]=4 100 B11R1.166 ClC1=NC=C(C(=C1)C)B(O)O AK-27202 [0,0,1,0,0,0|1,1,0]=3 101 B11R1.166 FC1=C(C=CC(=C1)C)B(O)O AK-27195 [0,0,1,0,0,0|2,0,0]=3 102 B11R1.166 FC1=NC(=C(C(=O)O)C=C1)C AK-30364 [0,0,1,0,0,0|2,0,1]=4 103 B11R1.166 O=C(O)C1=CC=C(F)C=C1Br AK-32641 [0,0,1,0,0,0|2,0,1]=4 104 B11R1.166 O=C(O)C1=CC=C(F)C=C1C AK-34672 [0,0,1,0,0,0|1,0,1]=3 105 B11R1.166 O=C(O)C1=CC=C(F)C=C1I AK-29400 [0,0,1,0,0,0|2,0,1]=4 106 B11R1.166 O=C(O)C1=CC=C(F)C=C1N AK-25985 [0,0,1,0,0,0|2,0,1]=4 107 B11R1.166 O=C(O)C1=CC=C(O)C=C1C AK-40693 [0,0,1,0,0,0|2,0,1]=4 108 B11R1.166 O=C(O)C1=CN=C(F)C=C1C AK123501 [0,0,1,0,0,0|2,0,1]=4 109 B11R1.166 OB(C1=CC=C(F)C=C1C)O AK-33224 [0,0,1,0,0,0|0,0,0]=1 110 B11R1.166 OB(C1=CC=C(F)C=C1Cl)O AK-34635 [0,0,1,0,0,0|1,0,0]=2 111 B11R1.166 OB(C1=CC=C(F)C=C1O)O AK-46419 [0,0,1,0,0,0|1,0,0]=2 112 B11R1.166 OB(C1=CC=C(F)N=C1F)O AK-27197 [0,0,1,0,0,0|2,0,0]=3 113 B11R1.166 OB(C1=CC=C(O)C=C1C)O AK-29297 [0,0,1,0,0,0|1,0,0]=2 114 B11R1.166 OB(C1=CC=C(O)C=C1Cl)O AK-43746 [0,0,1,0,0,0|2,0,0]=3 115 B11R1.166 OB(C1=CN=C(F)C=C1C)O AK-27196 [0,0,1,0,0,0|1,0,0]=2 116 B11R1.166 OB(O)C1=C(F)C=C(I)C=C1 AK-25870 [0,0,1,0,0,0|1,1,0]=3 117 B11R1.166 OC1=CC=C(B(O)O)C(F)=C1 AK-62257 [0,0,1,0,0,0|2,0,0]=3 118 B13R2.3683 CC1NC2=C(C=C(F)C=C2)CC1 AK-31866 [0,0,0,0,0,1|3,0,0]=4 119 B13R2.5179 NC1CCOC2=C1C=CC(F)=C2 AK-50863 [0,0,0,0,0,1|3,0,0]=4 120 B13R2.5179 N[C@@H]1CCOC2=C1C=CC(F)=C2 AK-50861 [0,0,0,0,0,1|3,0,0]=4 121 B13R2.5179 N[C@H]1CCCC2=C1C=CC(F)=C2 AK544248 [0,0,0,0,0,1|3,0,0]=4 122 B13R2.5179 O=C1CCOC2=C1C=CC(F)=C2 AK-30532 [0,0,0,0,0,1|2,0,1]=4 123 B13R2.5179 OC1=C2C=CC(F)=CC2=CC=C1 AK341304 [0,0,0,0,0,1|2,0,1]=4 124 B13R2.5179 OC1CCOC2=C1C=CC(Br)=C2 AK201268 [0,0,0,0,0,1|2,1,0]=4 125 B10R1.1 FC1=CC=C(C=C1)NCC AK113245 [1,0,1,0,0,0|2,0,0]=4 126 B10R1.1 NC1=CC=C(COC)C=C1 AK-78891 [1,0,1,0,0,0|2,0,0]=4 127 B10R1.1 NOCC1=CC=C(F)C=C1 AK-86671 [1,0,1,0,0,0|2,0,0]=4 128 B10R1.1 OC1=CC=C(COC)C=C1 AK-42631 [1,0,1,0,0,0|2,0,0]=4 129 B10R1.13 C1=C(B(O)O)C=CC(=C1)C AK-39805 [1,0,1,0,0,0|1,0,0]=3 130 B10R1.13 C1=C(C=CC(=C1)Br)B(O)O AK-44722 [1,0,1,0,0,0|0,1,0]=3 131 B10R1.13 C1=C(C=CC(=C1)F)B(O)O AK-46490 [1,0,1,0,0,0|0,0,0]=2 132 B10R1.13 C1=C(C=CC(=C1)O)B(O)O AK-44804 [1,0,1,0,0,0|1,0,0]=3 133 B10R1.13 C1=C(C=CC(=N1)Cl)B(O)O AK-29256 [1,0,1,0,0,0|1,1,0]=4 134 B10R1.13 C1=C(C=CC(=N1)F)B(O)O AK-29209 [1,0,1,0,0,0|1,0,0]=3 135 B10R1.13 C1=CC(=CC=C1C(C)=O)F AK-41690 [1,0,1,0,0,0|1,0,1]=4 136 B10R1.13 C1=CC(=CC=C1C(O)=O)F AK-73077 [1,0,1,0,0,0|1,0,1]=4 137 B10R1.13 CC(Br)C1=CC=C(F)C=C1 AK-94758 [1,0,1,0,0,0|2,0,0]=4 138 B10R1.13 CC(O)C1=CC=C(Br)C=C1 AK117026 [1,0,1,0,0,0|1,1,0]=4 139 B10R1.13 CC(O)C1=CC=C(N)C=C1 AK109742 [1,0,1,0,0,0|2,0,0]=4 140 B10R1.13 CC1=NC=C(C=C1)B(O)O AK-27039 [1,0,1,0,0,0|2,0,0]=4 141 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 AK-45030 [1,0,1,0,0,0|2,0,0]=4 142 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 AK-89611 [1,0,1,0,0,0|2,0,0]=4 143 B10R1.13 C[C@@H](O)C1=CC=C(Br)C=C1 AK-79215 [1,0,1,0,0,0|1,1,0]=4 144 B10R1.13 C[C@H](O)C1=CC=C(Br)C=C1 AK-79189 [1,0,1,0,0,0|1,1,0]=4 145 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 AK-79216 [1,0,1,0,0,0|1,1,0]=4 146 B10R1.13 ClC1=CC=C(B(O)O)C=C1 AK-26616 [1,0,1,0,0,0|0,1,0]=3 147 B10R1.13 ClC1=CN=C(C=C1)B(O)O AK-24785 [1,0,1,0,0,0|1,1,0]=4 148 B10R1.13 IC1=CC=C(B(O)O)C=C1 AK-24763 [1,0,1,0,0,0|0,1,0]=3 149 B10R1.13 NC1=CC=C(B(O)O)C=C1 AK-44817 [1,0,1,0,0,0|1,0,0]=3 150 B10R1.13 NC1=NC=C(C=C1)B(O)O AK-36570 [1,0,1,0,0,0|2,0,0]=4 151 B10R1.13 N[C@H](C1=CC=C(F)C=C1)C AK-98664 [1,0,1,0,0,0|2,0,0]=4 152 B10R1.13 OB(C1=CC=C(O)N=C1)O AK-40749 [1,0,1,0,0,0|2,0,0]=4 153 B10R1.13 OB(C1=CC=C(S)C=C1)O AK-41540 [1,0,1,0,0,0|1,0,0]=3 154 B10R1.13 OB(C1=CN=C(Br)C=C1)O AK-27206 [1,0,1,0,0,0|1,1,0]=4 155 B10R1.13 OC1=CC=C(C(O)C)C=C1 AK-45202 [1,0,1,0,0,0|2,0,0]=4 156 B10R1.15 O=S(C1=CC=CC=C1)OC AK109245 [1,0,1,0,0,0|1,0,1]=4 157 B10R1.10 BrC1=CC(CCO)=CC=C1 AK-40057 [1,0,1,0,0,0|1,1,0]=4 158 B10R1.10 C1=C(C=CC=C1Cl)CCO AK-46667 [1,0,1,0,0,0|1,1,0]=4 159 B10R1.10 C1=C(C=CC=C1F)CNC AK-16717 [1,0,1,0,0,0|2,0,0]=4 160 B10R1.10 CC1=CC=CC(CCO)=C1 AK-87226 [1,0,1,0,0,0|2,0,0]=4 161 B10R1.10 CCOC1=CC(F)=CC=C1 AK-61826 [1,0,1,0,0,0|2,0,0]=4 162 B10R1.10 N#CCC1=CC=CC(F)=C1 AK-27132 [1,0,1,0,0,0|2,0,0]=4 163 B10R1.10 NCCC1=CC=CC(F)=C1 AK-41691 [1,0,1,0,0,0|2,0,0]=4 164 B10R1.10 OCCC1=CC(F)=CC=C1 AK111050 [1,0,1,0,0,0|1,0,0]=3 165 B10R1.17 O=COCC1=CC=CC=C1 AK113965 [1,0,1,0,0,0|1,0,1]=4 166 B10R1.17 OCCCC1=CC=CC=C1 AK114527 [1,0,1,0,0,0|2,0,0]=4 167 B10R1.20 NCC1=C(CO)C=CC=C1 AK-41063 [1,0,1,0,0,0|2,0,0]=4 168 B10R1.20 OCC1=C(C=CC=C1)C#N AK-81801 [1,0,1,0,0,0|2,0,0]=4 169 B10R1.20 OCC1=C(CO)C=CN=C1 AK171924 [1,0,1,0,0,0|2,0,0]=4 170 B10R1.20 OCC1=CC=CC=C1C=C AK165517 [1,0,1,0,0,0|2,0,0]=4 171 B10R1.20 OCC1=CC=CC=C1CC AK153193 [1,0,1,0,0,0|2,0,0]=4 172 B10R1.25 C1=C(C(=CC=C1F)C#N)C AK-31087 [1,0,1,0,0,0|2,0,0]=4 173 B10R1.25 FC1=CC(=C(C=C1)OC)O AK-36233 [1,0,1,0,0,0|2,0,0]=4 174 B10R1.25 FC1=CC=C(C(=C1)O)C=O AK-25824 [1,0,1,0,0,0|1,0,1]=4 175 B10R1.25 N#CC1=CC=C(F)C=C1O AK158554 [1,0,1,0,0,0|2,0,0]=4 176 B10R1.25 O=CC1=CC=C(F)C=C1C AK-35928 [1,0,1,0,0,0|1,0,1]=4 177 B10R1.25 OCC1=CC=C(Br)C=C1C AK-59623 [1,0,1,0,0,0|1,1,0]=4 178 B10R1.25 OCC1=CC=C(C)C=C1C AK-61593 [1,0,1,0,0,0|2,0,0]=4 179 B10R1.25 OCC1=CC=C(F)N=C1C AK117653 [1,0,1,0,0,0|2,0,0]=4 180 B10R1.25 OCC1=CC=C(N)C=C1C AK143112 [1,0,1,0,0,0|2,0,0]=4 181 B10R1.30 BrC1=C(C=C(C=C1)F)CO AK-37845 [1,0,1,0,0,0|1,0,0]=3 182 B10R1.30 C1=C(Br)C=CC(=C1CO)O AK-34249 [1,0,1,0,0,0|0,1,0]=3 183 B10R1.30 C1=C(C(=CC=C1F)O)C=O AK-24761 [1,0,1,0,0,0|0,0,2]=4 184 B10R1.30 N#CC1=CC(F)=CC=C1O AK-98170 [1,0,1,0,0,0|1,0,1]=4 185 B10R1.30 NC1=CC(CO)=C(F)C=C1 AK-80394 [1,0,1,0,0,0|2,0,0]=4 186 B10R1.30 OCC1=C(Cl)C=CC(F)=C1 AK-34414 [1,0,1,0,0,0|1,0,0]=3 187 B10R1.30 OCC1=CC(Br)=CC=C1Br AK103133 [1,0,1,0,0,0|1,1,0]=4 188 B10R1.30 OCC1=CC(Br)=CC=C1Cl AK-33393 [1,0,1,0,0,0|1,1,0]=4 189 B10R1.30 OCC1=CC(Br)=CC=C1F AK-37019 [1,0,1,0,0,0|1,1,0]=4 190 B10R1.30 OCC1=CC(Br)=CC=C1N AK-26716 [1,0,1,0,0,0|1,1,0]=4 191 B10R1.30 OCC1=CC(Cl)=CC=C1Br AK-35824 [1,0,1,0,0,0|1,1,0]=4 192 B10R1.30 OCC1=CC(Cl)=CC=C1Cl AK135145 [1,0,1,0,0,0|1,1,0]=4 193 B10R1.30 OCC1=CC(Cl)=CC=C1N AK116363 [1,0,1,0,0,0|1,1,0]=4 194 B10R1.30 OCC1=CC(F)=CC=C1I AK-61202 [1,0,1,0,0,0|1,0,0]=3 195 B10R1.30 OCC1=CC(I)=CC=C1Br AK158350 [1,0,1,0,0,0|1,1,0]=4 196 B10R1.30 OCC1=CC(I)=CC=C1C AK544172 [1,0,1,0,0,0|1,1,0]=4 197 B10R1.61 C1=C(C(=CC=C1)B(O)O)O AK-45876 [1,0,1,0,0,0|1,0,0]=3 198 B10R1.61 C1=CC=CC(=C1B(O)O)Br AK-34317 [1,0,1,0,0,0|1,0,0]=3 199 B10R1.61 C1=CC=CC(=C1B(O)O)C AK-33581 [1,0,1,0,0,0|0,0,0]=2 200 B10R1.61 CC1=C(C=CN=C1)B(O)O AK-36777 [1,0,1,0,0,0|1,0,0]=3 201 B10R1.61 CC1=NC=CC=C1B(O)O AK142095 [1,0,1,0,0,0|1,0,0]=3 202 B10R1.61 ClC1=C(B(O)O)C=CN=C1 AK-93757 [1,0,1,0,0,0|2,0,0]=4 203 B10R1.61 ClC1=C(C=CC=C1)B(O)O AK-34973 [1,0,1,0,0,0|1,0,0]=3 204 B10R1.61 ClC1=NC=CC=C1B(O)O AK-29980 [1,0,1,0,0,0|2,0,0]=4 205 B10R1.61 FC1=CC=CC=C1B(O)O AK-45733 [1,0,1,0,0,0|1,0,0]=3 206 B10R1.61 NC1=CC=CC=C1B(O)O AK-77788 [1,0,1,0,0,0|1,0,0]=3 207 B10R1.61 O=C(O)C1=CC=CC=C1C AK116916 [1,0,1,0,0,0|1,0,1]=4 208 B10R1.61 OB(C1=C(F)C=NC=C1)O AK-26936 [1,0,1,0,0,0|2,0,0]=4 209 B10R1.61 OB(C1=CC=CC=C1N)O AK-35638 [1,0,1,0,0,0|1,0,0]=3 210 B10R1.61 OB(C1=CC=CN=C1Br)O AK-27205 [1,0,1,0,0,0|2,0,0]=4 211 B10R1.61 OB(C1=CC=CN=C1F)O AK-27647 [1,0,1,0,0,0|2,0,0]=4 212 B10R1.61 OB(C1=NC=CC=C1C)O AK-36898 [1,0,1,0,0,0|1,0,0]=3 213 B10R2.7 C12=C(CNC1)C=CC=C2 AK-46308 [2,0,0,0,0,0|2,0,0]=4 214 B10R2.7 C12=C(NCC1)C=CC=C2 AK-49832 [2,0,0,0,0,0|2,0,0]=4 215 B10R2.7 C1=CC=CC2=C1CCO2 AK-35322 [2,0,0,0,0,0|2,0,0]=4 216 B10R2.7 O1N=C2C=CC=CC2=N1 AK-34472 [2,0,0,0,0,0|2,0,0]=4 217 B12R1.16 C1=CC(=CC=C1C(OCC)=O)F AK-46539 [0,1,1,0,0,0|1,0,1]=4 218 B12R1.367 COC(=O)C1=CC(Br)=C(F)C=C1 AK-81963 [0,1,1,0,0,0|1,0,1]=4 219 B12R1.367 ClC1=C(C=CC(=C1)C(=O)OC)F AK-72962 [0,1,1,0,0,0|1,0,1]=4 220 B12R1.367 FC1=C(C=C(C(=O)OC)C=C1)C AK-46648 [0,1,1,0,0,0|1,0,1]=4 221 B12R1.367 NC1=C(C=CC(=C1)C(=O)OC)F AK-40058 [0,1,1,0,0,0|1,0,1]=4 222 B12R1.1703 C1=C(C(=CC(=C1)F)Cl)C(OC)=O AK-47401 [0,1,1,0,0,0|1,0,1]=4 223 B12R1.1703 COC(=O)C1=C(Br)C=C(F)C=C1 AK-46746 [0,1,1,0,0,0|1,0,1]=4 224 B12R1.1703 FC1=CC(=C(C(=O)OC)C=C1)O AK-49085 [0,1,1,0,0,0|1,0,1]=4 225 B12R1.1703 O=C(OC)C1=CC=C(F)C=C1C AK-63369 [0,1,1,0,0,0|1,0,1]=4 226 B12R1.1703 O=C(OC)C1=CC=C(F)C=C1F AK-39185 [0,1,1,0,0,0|1,0,1]=4 227 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 AK-43261 [0,1,1,0,0,0|2,0,0]=4 228 B12R1.57 O=C(O)C1=CC=C(Br)C=C1CO AK141775 [0,1,1,0,0,0|1,1,0]=4 229 B12R1.57 OB(C1=CC=C(F)C=C1C=O)O AK-67827 [0,1,1,0,0,0|0,0,2]=4 230 B12R1.57 OB(C1=CC=C(F)C=C1OC)O AK-33789 [0,1,1,0,0,0|2,0,0]=4 231 B12R1.57 OB(O)C1=C(C=C(F)C=C1)C#N AK-76965 [0,1,1,0,0,0|1,0,1]=4 232 B12R1.232 CC1=CC(C)=C(C=C1C)B(O)O AK-59629 [0,1,1,0,0,0|1,0,0]=3 233 B12R1.232 OB(C1=CC(Cl)=C(Cl)C=C1Cl)O AK-34153 [0,1,1,0,0,0|1,1,0]=4 234 B12R1.452 C1=C(C(=CC=C1OC)B(O)O)Cl AK-27130 [0,1,1,0,0,0|2,0,0]=4 235 B12R1.452 C1=C(OC)C=CC(=C1F)B(O)O AK-33552 [0,1,1,0,0,0|2,0,0]=4 236 B12R1.452 CC1=CC(OC)=CC=C1B(O)O AK-45220 [0,1,1,0,0,0|1,0,0]=3 237 B12R1.452 COC1=CC(C)=C(C=N1)B(O)O AK-29315 [0,1,1,0,0,0|2,0,0]=4 238 B12R1.452 O=CC1=CC=C(B(O)O)C(Cl)=C1 AK-89228 [0,1,1,0,0,0|2,0,0]=4 239 B12R1.452 OB(C1=CC=C(C#N)C=C1N)O AK-36552 [0,1,1,0,0,0|2,0,0]=4 240 B12R1.893 CC1=C(Cl)C(Cl)=CC=C1B(O)O AK-92802 [0,1,1,0,0,0|0,1,0]=3 241 B12R1.893 O=C(O)C1=CC=C(F)C(F)=C1C AK-33483 [0,1,1,0,0,0|1,0,1]=4 242 B12R1.893 OB(O)C1=C(F)C(F)=C(F)C=C1 AK-34214 [0,1,1,0,0,0|1,0,0]=3 243 B12R1.893 OC1=CC=C(B(O)O)C(F)=C1F AK-62208 [0,1,1,0,0,0|2,0,0]=4 244 B12R1.1000 CC1=CC(F)=CC(Br)=C1C(O)=O AK-32621 [0,1,1,0,0,0|1,0,1]=4 245 B12R1.1000 O=C(O)C1=C(C)C=C(F)C=C1C AK-33599 [0,1,1,0,0,0|1,0,1]=4 246 B12R1.1000 OB(C1=C(C)C=C(C)C=C1C)O AK-45593 [0,1,1,0,0,0|1,0,0]=3 247 B12R1.1000 OB(C1=C(F)C=C(Br)C=C1F)O AK-46341 [0,1,1,0,0,0|1,1,0]=4 248 B12R1.1000 OB(O)C1=C(Cl)C=C(Cl)C=C1Cl AK-44541 [0,1,1,0,0,0|1,1,0]=4 249 B12R1.1000 OC1=CC(F)=C(B(O)O)C(F)=C1 AK-62176 [0,1,1,0,0,0|2,0,0]=4 250 B12R2.132 C1=CC2=C(C(OC2)=O)C=C1Br AK-33925 [1,1,0,0,0,0|1,0,1]=4 251 B12R2.132 FC1=CC=C2COC(=O)C2=C1 AK-80844 [1,1,0,0,0,0|1,0,1]=4 252 B12R2.132 IC1=CC=C2COC(=O)C2=C1 AK-35552 [1,1,0,0,0,0|1,0,1]=4 253 B12R2.132 O=C1OCC2=C1C=C(C)C=C2 AK316681 [1,1,0,0,0,0|1,0,1]=4 254 B12R2.132 OC1CCC2=C1C=C(Br)C=C2 AK146224 [1,1,0,0,0,0|2,0,0]=4 255 B12R2.132 O[B]1=C2C=C(O)C=CC2=CO1 AK-76665 [1,1,0,0,0,0|0,0,2]=4 256 B12R2.196 BrC1=CC=CC2=C1COC2=O AK-30225 [1,1,0,0,0,0|1,0,1]=4 257 B12R2.196 O=C1OCC2=C1C=CC=C2N AK-41573 [1,1,0,0,0,0|1,0,1]=4 258 B12R2.2028 O=C1OC(O)C2=C1C=CC=C2 AK607884 [1,1,0,0,0,0|1,0,1]=4 259 B12R2.100 FC1=CC2=C(C=C1F)CCN2 AK-36972 [1,1,0,0,0,0|2,0,0]=4 260 B12R2.606 CC1NC2=C(C=C(F)C=C2)C1 AK-89513 [1,1,0,0,0,0|2,0,0]=4 261 B12R2.606 NC1CC2=C(C=C(F)C=C2)C1 AK-32562 [1,1,0,0,0,0|2,0,0]=4 262 B12R2.606 O=C1NC2=C(C=C(F)C=C2)C1 AK-23028 [1,1,0,0,0,0|2,0,0]=4 263 B10R2.320 BrC1C2=CC=CC=C2C1 AK163275 [1,0,0,0,1,0|2,0,0]=4 264 B10R2.320 C1=CC=CC2=C1CC2=O AK-72898 [1,0,0,0,1,0|1,0,1]=4 265 B10R2.31 BrC1=CC=C2CCC2=C1 AK-54784 [1,0,0,0,1,0|1,1,0]=4 266 B12R1.49 O=C(OC)CC1=CC=C(F)C=C1 AK117500 [0,0,1,0,0,1|1,0,1]=4 267 B12R1.233 O=C(O)CC1=CC=C(F)C=C1C AK-37488 [0,0,1,0,0,1|1,0,1]=4