0 B10R1.15 C1=C(C(OC)=O)C=CN=C1 AK-46755 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.15 C1=C(C(OC)=O)N=CC=C1 AK-46574 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.15 C1=CC=NC=C1C(OC)=O AK-47410 [0,0,0,0,0,0|0,0,0]=0 3 B10R1.15 C1=NC=CN=C1C(OC)=O AK-47365 [0,0,0,0,0,0|1,0,0]=1 4 B10R1.15 COC(=O)C1=CCCCC1 AK-89355 [0,0,0,0,0,0|1,0,3]=4 5 B10R1.15 COC(=O)C1=CCOCC1 AK-32760 [0,0,0,0,0,0|2,0,2]=4 6 B10R1.15 C[C@@H](NC)C1=CC=CC=C1 AK140531 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.15 N1=NC=C(C=C1)C(=O)OC AK-48857 [0,0,0,0,0,0|1,0,0]=1 8 B10R1.15 NCC(C1=CC=CC=C1)=O AK-26107 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.15 NC[C@@H](O)C1=CC=CN=C1 AK-96401 [0,0,0,0,0,0|2,0,2]=4 10 B10R1.15 NNC(=O)C1=CC=NC=C1 AK-46317 [0,0,0,0,0,0|4,0,0]=4 11 B10R1.15 NNC(C1=CC=CN=C1)=O AK-44810 [0,0,0,0,0,0|2,0,0]=2 12 B10R1.15 O=C(C1=NC=CC=C1)CBr AK-44981 [0,0,0,0,0,0|4,0,0]=4 13 B10R1.15 O=C(C1=NC=CC=N1)OC AK-24352 [0,0,0,0,0,0|3,0,0]=3 14 B10R1.15 O=C(C1=NN=CC=C1)OC AK-68100 [0,0,0,0,0,0|1,0,0]=1 15 B10R1.15 O=C(NC)C1=CC=CC=C1 AK323662 [0,0,0,0,0,0|2,0,0]=2 16 B10R1.15 O=C(NN)C1=NC=CC=C1 AK117449 [0,0,0,0,0,0|4,0,0]=4 17 B10R1.15 O=C(NN)C1=NC=CN=C1 AK-48495 [0,0,0,0,0,0|3,0,0]=3 18 B10R1.15 O=S(C1=CC=CC=C1)OC AK109245 [0,0,0,0,0,0|2,0,0]=2 19 B10R1.15 OCC(=O)C1=CC=CC=C1 AK-94786 [0,0,0,0,0,0|3,0,0]=3 20 B9R1.6 C1=C(C(=O)C)C=CN=C1 AK-65203 [1,0,0,0,0,0|2,0,0]=3 21 B9R1.6 C1=C(C(C)=O)N=CC=C1 AK-53417 [1,0,0,0,0,0|2,0,0]=3 22 B9R1.6 C1=C(C(N)=O)C=CN=C1 AK-47864 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.6 C1=C(C=CC=C1)B(O)O AK-50285 [1,0,0,0,0,0|2,0,1]=4 24 B9R1.6 C1=C(N=CC=N1)C(=O)C AK-16901 [1,0,0,0,0,0|1,0,0]=2 25 B9R1.6 C1=C(N=NC=C1)C(O)=O AK-28139 [1,0,0,0,0,0|1,0,0]=2 26 B9R1.6 C1=CN=CN=C1C(=O)O AK-23926 [1,0,0,0,0,0|3,0,0]=4 27 B9R1.6 C1=NC=C(B(O)O)C=N1 AK-25129 [1,0,0,0,0,0|2,0,1]=4 28 B9R1.6 C1=NC=CN=C1C(N)=N AK-24427 [1,0,0,0,0,0|3,0,0]=4 29 B9R1.6 C1=NC=CN=C1C(O)=O AK-47505 [1,0,0,0,0,0|1,0,0]=2 30 B9R1.6 C1=NC=NC=C1C(=O)O AK-24470 [1,0,0,0,0,0|1,0,0]=2 31 B9R1.6 CC(=O)C1=CC=CN=N1 AK-83539 [1,0,0,0,0,0|1,0,0]=2 32 B9R1.6 CC(=O)C1=CC=NN=C1 AK-30816 [1,0,0,0,0,0|1,0,0]=2 33 B9R1.6 CC(=O)C1=NC=CC=N1 AK-35526 [1,0,0,0,0,0|3,0,0]=4 34 B9R1.6 CC(C1=CN=CN=C1)=O AK-32388 [1,0,0,0,0,0|1,0,0]=2 35 B9R1.6 CC(C1=NC=NC=C1)=O AK-40767 [1,0,0,0,0,0|3,0,0]=4 36 B9R1.6 CC(N)C1=CC=CN=C1 AK-35649 [1,0,0,0,0,0|1,0,1]=3 37 B9R1.6 CC(N)C1=CN=CC=N1 AK-31016 [1,0,0,0,0,0|2,0,1]=4 38 B9R1.6 C[C@@H](N)C1=CC=CC=C1 AK668263 [1,0,0,0,0,0|2,0,1]=4 39 B9R1.6 C[C@@H](N)C1=CC=CN=C1 AK152012 [1,0,0,0,0,0|1,0,1]=3 40 B9R1.6 C[C@@H](O)C1=CC=CC=C1 AK-79205 [1,0,0,0,0,0|1,0,2]=4 41 B9R1.6 C[C@H](N)C1=CC=CN=C1 AK151271 [1,0,0,0,0,0|1,0,1]=3 42 B9R1.6 N1=C(N=CC=C1)C(=O)O AK-24353 [1,0,0,0,0,0|3,0,0]=4 43 B9R1.6 N1=NC=C(C=C1)C(=O)O AK-26044 [1,0,0,0,0,0|1,0,0]=2 44 B9R1.6 N=C(N)C1=CC=CC=C1 AK-47930 [1,0,0,0,0,0|3,0,0]=4 45 B9R1.6 N=C(N)C1=CN=CC=C1 AK-76662 [1,0,0,0,0,0|2,0,0]=3 46 B9R1.6 NC(=N)C1=CC=CC=C1 AK-48017 [1,0,0,0,0,0|3,0,0]=4 47 B9R1.6 NC(=O)C1=CN=CC=N1 AK-94813 [1,0,0,0,0,0|2,0,0]=3 48 B9R1.6 NC(C1=CC=CC=C1)=S AK-46849 [1,0,0,0,0,0|2,1,0]=4 49 B9R1.6 O=C(Cl)C1=NC=CC=C1 AK-49118 [1,0,0,0,0,0|3,0,0]=4 50 B9R1.6 O=C(N)C1=CC=CC=C1 AK-77684 [1,0,0,0,0,0|2,0,0]=3 51 B9R1.6 O=C(N)C1=CN=CC=C1 AK112769 [1,0,0,0,0,0|1,0,0]=2 52 B9R1.6 O=C(N)C1=NC=CC=C1 AK106190 [1,0,0,0,0,0|3,0,0]=4 53 B9R1.6 O=C(O)C1=CN=CC=C1 AK-46486 [1,0,0,0,0,0|0,0,0]=1 54 B9R1.6 O=C(O)C1=NC=CC=C1 AK-50286 [1,0,0,0,0,0|2,0,0]=3 55 B9R1.6 O=S(C1=CC=CC=C1)[O-] AK162411 [1,0,0,0,0,0|2,0,1]=4 56 B9R1.6 OB(C1=CC=CN=C1)O AK-26799 [1,0,0,0,0,0|1,0,1]=3 57 B9R1.6 OC(=O)C1=CC=NC=C1 AK-49896 [1,0,0,0,0,0|2,0,0]=3 58 B9R1.8 C1=C(C=CC=C1)CON AK-49180 [1,0,0,0,0,0|2,0,1]=4 59 B9R1.8 C1=C(N=CC=C1)COC AK-32294 [1,0,0,0,0,0|2,0,1]=4 60 B9R1.8 C1=CC=NN=C1OCC AK-50551 [1,0,0,0,0,0|3,0,0]=4 61 B9R1.8 CCCC1=NC=CN=C1 AK305719 [1,0,0,0,0,0|2,0,1]=4 62 B9R1.8 CCNC1=CC=CN=C1 AK126739 [1,0,0,0,0,0|2,0,0]=3 63 B9R1.8 CCNC1=NC=CN=C1 AK159718 [1,0,0,0,0,0|3,0,0]=4 64 B9R1.8 CCOC1=NN=CC=C1 AK-50365 [1,0,0,0,0,0|3,0,0]=4 65 B9R1.8 CNCC1=CC=CN=C1 AK-77094 [1,0,0,0,0,0|1,0,1]=3 66 B9R1.8 CNCC1=NC=CN=C1 AK-32984 [1,0,0,0,0,0|2,0,1]=4 67 B9R1.8 CNNC1=CC=CC=C1 AK119038 [1,0,0,0,0,0|3,0,0]=4 68 B9R1.8 N#CCC1=CC=CN=C1 AK-44402 [1,0,0,0,0,0|2,0,1]=4 69 B9R1.8 NCCC1=CC=CN=C1 AK-45879 [1,0,0,0,0,0|2,0,1]=4 70 B9R1.8 NNCC1=CC=CN=C1 AK-50063 [1,0,0,0,0,0|2,0,1]=4 71 B9R1.8 NOCC1=CC=CC=C1 AK-82317 [1,0,0,0,0,0|2,0,1]=4 72 B11R1.12 CCB(CC)C1=CC=CN=C1 AK-48581 [0,1,0,0,0,0|3,0,0]=4 73 B11R1.12 COC(C1=CC=CC=C1)CO AK-49663 [0,1,0,0,0,0|1,0,2]=4 74 B11R1.16 C1=C(C(OCC)=O)N=CC=C1 AK-48935 [0,1,0,0,0,0|2,0,0]=3 75 B11R1.16 CCCC(C1=CC=CC=C1)=O AK164430 [0,1,0,0,0,0|2,0,0]=3 76 B11R1.16 CCCC(C1=CC=CN=C1)=O AK123326 [0,1,0,0,0,0|1,0,0]=2 77 B11R1.16 CCOC(=O)C1=NC=CC=N1 AK-85955 [0,1,0,0,0,0|3,0,0]=4 78 B11R1.16 N#CCC(C1=CC=CC=C1)=O AK-43072 [0,1,0,0,0,0|2,0,1]=4 79 B11R1.16 O=C(C1=NC=CN=C1)OCC AK-40036 [0,1,0,0,0,0|1,0,0]=2 80 B11R1.16 O=C(OCC)C1=CC=NC=C1 AK-50699 [0,1,0,0,0,0|2,0,0]=3 81 B11R1.16 O=C(OCC)C1=CN=CC=C1 AK-88428 [0,1,0,0,0,0|0,0,0]=1 82 B11R1.16 O=C(OCCl)C1=CC=CC=C1 AK-86220 [0,1,0,0,0,0|1,0,0]=2 83 B11R1.22 BrC1=CN=C(C=N1)C(=O)OC AK-24801 [0,1,0,0,0,0|1,0,0]=2 84 B11R1.22 C1=C(C=CC(=C1)Br)C(OC)=O AK-47340 [0,1,0,0,0,0|1,0,0]=2 85 B11R1.22 C1=C(C=CC(=C1)C)C(CBr)=O AK-73063 [0,1,0,0,0,0|3,0,0]=4 86 B11R1.22 C1=C(C=CC(=C1)Cl)C(CC)=O AK-47430 [0,1,0,0,0,0|2,0,0]=3 87 B11R1.22 C1=C(C=CC(=C1)N)C(OC)=O AK-48394 [0,1,0,0,0,0|1,0,0]=2 88 B11R1.22 C1=CC(=CN=C1C(OC)=O)Br AK-25721 [0,1,0,0,0,0|2,0,0]=3 89 B11R1.22 C1=CC(=NC=C1C(OC)=O)Cl AK-32450 [0,1,0,0,0,0|0,0,0]=1 90 B11R1.22 C1=NC(=CC=C1C(=O)OC)Br AK-27762 [0,1,0,0,0,0|0,0,0]=1 91 B11R1.22 CCC(C1=CC=C(Br)C=C1)=O AK133038 [0,1,0,0,0,0|2,0,0]=3 92 B11R1.22 CCC(C1=CC=C(F)C=C1)=O AK-77665 [0,1,0,0,0,0|2,0,0]=3 93 B11R1.22 CCC(C1=CC=C(I)C=C1)=O AK149241 [0,1,0,0,0,0|2,0,0]=3 94 B11R1.22 CCC(C1=CC=C(O)C=C1)=O AK-44068 [0,1,0,0,0,0|2,0,0]=3 95 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 AK-42930 [0,1,0,0,0,0|2,0,0]=3 96 B11R1.22 COC(=O)C1=CC=C(Cl)C=C1 AK-57163 [0,1,0,0,0,0|1,0,0]=2 97 B11R1.22 COC(=O)C1=CN=C(Cl)N=C1 AK-25021 [0,1,0,0,0,0|1,0,0]=2 98 B11R1.22 COC(C1=NC=C(C=N1)Br)=O AK-28412 [0,1,0,0,0,0|3,0,0]=4 99 B11R1.22 ClC1=CC=C(C(CN)=O)C=C1 AK-27718 [0,1,0,0,0,0|3,0,0]=4 100 B11R1.22 ClC1=CC=C(C=C1)C(=O)C=O AK-10005 [0,1,0,0,0,0|3,0,0]=4 101 B11R1.22 ClC1=CC=C(N=N1)C(=O)OC AK-24016 [0,1,0,0,0,0|1,0,0]=2 102 B11R1.22 ClC1=CN=C(C=N1)C(=O)NN AK-28354 [0,1,0,0,0,0|3,0,0]=4 103 B11R1.22 ClC1=CN=C(C=N1)C(=O)OC AK-23920 [0,1,0,0,0,0|1,0,0]=2 104 B11R1.22 FC1=CC=C(C=N1)C(=O)OC AK-40001 [0,1,0,0,0,0|0,0,0]=1 105 B11R1.22 IC1=CC=C(C(CBr)=O)C=C1 AK-25760 [0,1,0,0,0,0|3,0,0]=4 106 B11R1.22 N1C=C(C(=O)NN)C=CC1=O AK-25381 [0,1,0,0,0,0|2,0,1]=4 107 B11R1.22 NC1=CN=C(C=C1)C(=O)OC AK-24592 [0,1,0,0,0,0|2,0,0]=3 108 B11R1.22 NC1=NC=C(C=N1)C(=O)OC AK-21981 [0,1,0,0,0,0|1,0,0]=2 109 B11R1.22 NCC(=O)C1=CC=C(C=C1)F AK-32227 [0,1,0,0,0,0|3,0,0]=4 110 B11R1.22 NCC(=O)C1=CC=C(O)C=C1 AK101127 [0,1,0,0,0,0|3,0,0]=4 111 B11R1.22 NCC(C1=CC=C(Br)C=C1)=O AK-42272 [0,1,0,0,0,0|3,0,0]=4 112 B11R1.22 NNC(=O)C1=CC=C(F)C=C1 AK-76998 [0,1,0,0,0,0|3,0,0]=4 113 B11R1.22 O=C(C1=CC=C(Br)C=C1)CCl AK-41703 [0,1,0,0,0,0|3,0,0]=4 114 B11R1.22 O=C(C1=CC=C(F)C=C1)C=O AK-10004 [0,1,0,0,0,0|3,0,0]=4 115 B11R1.22 O=C(C1=CN=C(Cl)N=C1)NC AK106982 [0,1,0,0,0,0|2,0,0]=3 116 B11R1.22 O=C(C1=CNC(N=C1)=O)OC AK138906 [0,1,0,0,0,0|1,0,0]=2 117 B11R1.22 O=C(C1=COC(C=C1)=O)OC AK-94193 [0,1,0,0,0,0|1,0,0]=2 118 B11R1.22 O=C(C1=NC=C(Cl)C=C1)OC AK-33121 [0,1,0,0,0,0|2,0,0]=3 119 B11R1.22 O=C(C1=NC=C(F)C=N1)OC AK128119 [0,1,0,0,0,0|3,0,0]=4 120 B11R1.22 O=C(C1=NC=C(N)N=C1)OC AK-59002 [0,1,0,0,0,0|1,0,0]=2 121 B11R1.22 O=C(C1=NC=C(O)C=C1)OC AK-48134 [0,1,0,0,0,0|2,0,0]=3 122 B11R1.22 O=C(NC)C1=CC=C(Br)C=C1 AK-86242 [0,1,0,0,0,0|2,0,0]=3 123 B11R1.22 O=C(NC)C1=CN=C(Cl)C=C1 AK-41767 [0,1,0,0,0,0|1,0,0]=2 124 B11R1.22 O=C(OC)C1=CC=C(C)C=C1 AK110414 [0,1,0,0,0,0|1,0,0]=2 125 B11R1.22 O=C(OC)C1=CC=C(F)C=C1 AK-45398 [0,1,0,0,0,0|1,0,0]=2 126 B11R1.22 O=C(OC)C1=CC=C(I)C=C1 AK-45406 [0,1,0,0,0,0|1,0,0]=2 127 B11R1.22 O=C(OC)C1=CC=C(O)C=C1 AK-54335 [0,1,0,0,0,0|1,0,0]=2 128 B11R1.22 O=C(OC)C1=CN=C(C)C=C1 AK-28562 [0,1,0,0,0,0|0,0,0]=1 129 B11R1.22 O=C(OC)C1=CN=C(N)C=C1 AK-25008 [0,1,0,0,0,0|0,0,0]=1 130 B11R1.22 O=C(OC)C1=CN=C(O)C=C1 AK-26234 [0,1,0,0,0,0|0,0,0]=1 131 B11R1.22 O=C(OC)C1=NC=C(C)C=C1 AK-76225 [0,1,0,0,0,0|2,0,0]=3 132 B11R1.22 O=C1NN=C(C=C1)C(=O)OC AK-72777 [0,1,0,0,0,0|1,0,1]=3 133 B11R1.22 OC1=CC=C(C=C1)C(=O)CBr AK-34343 [0,1,0,0,0,0|3,0,0]=4 134 B11R1.22 OC1=CN=C(C=N1)C(=O)OC AK-24812 [0,1,0,0,0,0|1,0,0]=2 135 B11R1.23 BrC1=CC(=NC=C1)C(=O)OC AK-24538 [0,1,0,0,0,0|2,0,0]=3 136 B11R1.23 C1=C(C=CC=C1C(OC)=O)O AK-47384 [0,1,0,0,0,0|1,0,0]=2 137 B11R1.23 C1=C(C=CC=C1F)C(CBr)=O AK-45729 [0,1,0,0,0,0|3,0,0]=4 138 B11R1.23 C1=C(C=NC=C1C(OC)=O)Br AK-25229 [0,1,0,0,0,0|0,0,0]=1 139 B11R1.23 C1=C(C=NC=C1C)C(OC)=O AK-39649 [0,1,0,0,0,0|0,0,0]=1 140 B11R1.23 C1=C(Cl)C=CN=C1C(OC)=O AK-16616 [0,1,0,0,0,0|2,0,0]=3 141 B11R1.23 C1=C(Cl)N=CC=C1C(OC)=O AK-28605 [0,1,0,0,0,0|2,0,0]=3 142 B11R1.23 C1=C(N=CC=C1C(OC)=O)N AK-25223 [0,1,0,0,0,0|2,0,0]=3 143 B11R1.23 C1=CC=C(N=C1C(OC)=O)C AK-32150 [0,1,0,0,0,0|2,0,0]=3 144 B11R1.23 CC1=CC(C(CBr)=O)=CC=C1 AK-43564 [0,1,0,0,0,0|3,0,0]=4 145 B11R1.23 CCC(=O)C1=CC=CC(Cl)=C1 AK101591 [0,1,0,0,0,0|2,0,0]=3 146 B11R1.23 CCC(C1=CC=CC(F)=C1)=O AK548314 [0,1,0,0,0,0|2,0,0]=3 147 B11R1.23 CCC(C1=CC=CC(O)=C1)=O AK-45536 [0,1,0,0,0,0|2,0,0]=3 148 B11R1.23 CCC(C1=NC=CC(Cl)=C1)=O AK146218 [0,1,0,0,0,0|3,0,0]=4 149 B11R1.23 COC(=O)C1=CC(=O)NC=C1 AK-30181 [0,1,0,0,0,0|2,0,0]=3 150 B11R1.23 COC(=O)C1=CC(Br)=NC=C1 AK-29954 [0,1,0,0,0,0|2,0,0]=3 151 B11R1.23 COC(=O)C1=CC(C)=NC=C1 AK-33626 [0,1,0,0,0,0|2,0,0]=3 152 B11R1.23 COC(=O)C1=CC=CC(=O)N1 AK-64715 [0,1,0,0,0,0|2,0,0]=3 153 B11R1.23 COC(=O)C1=CC=NC(Br)=N1 AK-76962 [0,1,0,0,0,0|3,0,0]=4 154 B11R1.23 COC(=O)C1=NC(Br)=CC=N1 AK110267 [0,1,0,0,0,0|3,0,0]=4 155 B11R1.23 COC(=O)C1=NC(C)=CC=N1 AK100031 [0,1,0,0,0,0|3,0,0]=4 156 B11R1.23 COC(=O)C1=NC=CC(C)=C1 AK-58362 [0,1,0,0,0,0|2,0,0]=3 157 B11R1.23 COC(=O)C1=NC=CC(Cl)=C1 AK-25656 [0,1,0,0,0,0|2,0,0]=3 158 B11R1.23 COC(C1=CC=CC(=N1)Br)=O AK-27818 [0,1,0,0,0,0|2,0,0]=3 159 B11R1.23 ClC1=CC(=CN=N1)C(=O)OC AK-32830 [0,1,0,0,0,0|1,0,0]=2 160 B11R1.23 ClC1=CC(C(CBr)=O)=CC=C1 AK-47073 [0,1,0,0,0,0|3,0,0]=4 161 B11R1.23 ClC1=CC=NC(=C1)C(=O)NC AK-28999 [0,1,0,0,0,0|3,0,0]=4 162 B11R1.23 ClC1=CN=CC(=N1)C(=O)OC AK-29037 [0,1,0,0,0,0|1,0,0]=2 163 B11R1.23 ClC1=NC=CC(=N1)C(=O)OC AK-33388 [0,1,0,0,0,0|3,0,0]=4 164 B11R1.23 FC1=CC=CC(=C1)C(=O)OC AK-47674 [0,1,0,0,0,0|1,0,0]=2 165 B11R1.23 NC1=CC(=CN=C1)C(=O)OC AK-28608 [0,1,0,0,0,0|0,0,0]=1 166 B11R1.23 NC1=CN=CC(=N1)C(=O)OC AK-28731 [0,1,0,0,0,0|1,0,0]=2 167 B11R1.23 NNC(=O)C1=CC(Br)=CC=C1 AK-39193 [0,1,0,0,0,0|3,0,0]=4 168 B11R1.23 NNC(=O)C1=CC(Cl)=CC=C1 AK-60929 [0,1,0,0,0,0|3,0,0]=4 169 B11R1.23 O=C(C1=CC=CC(Cl)=C1)C=O AK-10035 [0,1,0,0,0,0|3,0,0]=4 170 B11R1.23 O=C(C1=NC(Br)=CN=C1)OC AK-39151 [0,1,0,0,0,0|1,0,0]=2 171 B11R1.23 O=C(C1=NC(C)=CN=C1)OC AK130648 [0,1,0,0,0,0|1,0,0]=2 172 B11R1.23 O=C(C1=NC(Cl)=CC=C1)OC AK-51763 [0,1,0,0,0,0|2,0,0]=3 173 B11R1.23 O=C(C1=NC(N)=NC=C1)OC AK-76214 [0,1,0,0,0,0|3,0,0]=4 174 B11R1.23 O=C(C1=NC=CC(N)=C1)OC AK-36192 [0,1,0,0,0,0|2,0,0]=3 175 B11R1.23 O=C(C1=NC=NC(Br)=C1)OC AK152485 [0,1,0,0,0,0|3,0,0]=4 176 B11R1.23 O=C(C1=NC=NC(Cl)=C1)OC AK-64323 [0,1,0,0,0,0|3,0,0]=4 177 B11R1.23 O=C(C=1C=CNC(N1)=O)OC AK-76285 [0,1,0,0,0,0|3,0,0]=4 178 B11R1.23 O=C(C=1NC=NC(C1)=O)OC AK-68874 [0,1,0,0,0,0|3,0,0]=4 179 B11R1.23 O=C(NC)C1=CC=CC(N)=C1 AK-34399 [0,1,0,0,0,0|2,0,0]=3 180 B11R1.23 O=C(NC)C1=NC=CC(Cl)=C1 AK-38402 [0,1,0,0,0,0|3,0,0]=4 181 B11R1.23 O=C(OC)C1=CC=CC(Br)=C1 AK-73031 [0,1,0,0,0,0|1,0,0]=2 182 B11R1.23 O=C(OC)C1=CC=CC(Cl)=C1 AK117218 [0,1,0,0,0,0|1,0,0]=2 183 B11R1.23 O=C(OC)C1=CC=CC(I)=C1 AK-81947 [0,1,0,0,0,0|1,0,0]=2 184 B11R1.23 O=C(OC)C1=CC=CC(N)=C1 AK-43961 [0,1,0,0,0,0|1,0,0]=2 185 B11R1.23 O=C(OC)C1=CC=NC(F)=C1 AK-86837 [0,1,0,0,0,0|2,0,0]=3 186 B11R1.23 O=C(OC)C1=NC(F)=CC=C1 AK-87700 [0,1,0,0,0,0|2,0,0]=3 187 B11R1.23 O=C(OC)C1=NC(N)=CC=C1 AK-37656 [0,1,0,0,0,0|2,0,0]=3 188 B11R1.23 O=C(OC)C1=NC=CC(I)=C1 AK-29979 [0,1,0,0,0,0|2,0,0]=3 189 B11R1.23 O=C1C=C(C(OC)=O)CCC1 AK164521 [0,1,0,0,0,0|1,0,2]=4 190 B11R1.23 OC1=CC(=CN=C1)C(=O)OC AK-47062 [0,1,0,0,0,0|0,0,0]=1 191 B11R1.36 CC(C(C1=CC=CC=C1)=O)=O AK116651 [0,1,0,0,0,0|2,0,0]=3 192 B11R1.222 BrC1=CN=CN=C1C(=O)OC AK-25053 [0,1,0,0,0,0|3,0,0]=4 193 B11R1.222 BrC1=NC=CN=C1C(=O)OC AK-30735 [0,1,0,0,0,0|1,0,0]=2 194 B11R1.222 C1=C(C(=O)OC)C(=NC=C1)F AK-25162 [0,1,0,0,0,0|0,0,0]=1 195 B11R1.222 C1=CC=CC(=C1C(OC)=O)Br AK-72980 [0,1,0,0,0,0|1,0,0]=2 196 B11R1.222 C1=CC=NC(=C1C(OC)=O)Cl AK-44999 [0,1,0,0,0,0|0,0,0]=1 197 B11R1.222 C1=CC=NC(=C1C(OC)=O)N AK-27747 [0,1,0,0,0,0|0,0,0]=1 198 B11R1.222 C1=CN=C(C(=N1)C(OC)=O)N AK-29912 [0,1,0,0,0,0|1,0,0]=2 199 B11R1.222 CC1=C(C(=O)OC)C=CC=N1 AK-27990 [0,1,0,0,0,0|0,0,0]=1 200 B11R1.222 CCC(C1=CC=CC=C1Cl)=O AK-86142 [0,1,0,0,0,0|2,0,0]=3 201 B11R1.222 COC(=O)C1=C(C)N=CC=N1 AK-97091 [0,1,0,0,0,0|1,0,0]=2 202 B11R1.222 COC(=O)C1=C(C=NC=C1)I AK-23705 [0,1,0,0,0,0|2,0,0]=3 203 B11R1.222 COC(=O)C1=C(N)C=CC=C1 AK-41339 [0,1,0,0,0,0|1,0,0]=2 204 B11R1.222 COC(=O)C1=CC=NNC1=O AK100226 [0,1,0,0,0,0|1,0,1]=3 205 B11R1.222 COC(=O)C1=CN=CN=C1O AK-26014 [0,1,0,0,0,0|1,0,0]=2 206 B11R1.222 COC(=O)C1=NC=CC=C1C AK-61199 [0,1,0,0,0,0|2,0,0]=3 207 B11R1.222 ClC1=C(N=CC=C1)C(=O)OC AK-23912 [0,1,0,0,0,0|2,0,0]=3 208 B11R1.222 ClC1=NC=CN=C1C(=O)OC AK-39173 [0,1,0,0,0,0|1,0,0]=2 209 B11R1.222 FC1=CC=CC=C1C(CF)=O AK198962 [0,1,0,0,0,0|3,0,0]=4 210 B11R1.222 NC1=NC=NC=C1C(=O)OC AK-30806 [0,1,0,0,0,0|1,0,0]=2 211 B11R1.222 NCC(=O)C1=C(C=CC=C1)F AK-70904 [0,1,0,0,0,0|3,0,0]=4 212 B11R1.222 O=C(C#N)C1=CC=CC=C1F AK154692 [0,1,0,0,0,0|3,0,0]=4 213 B11R1.222 O=C(C1=CC=CNC1=O)OC AK-28355 [0,1,0,0,0,0|0,0,1]=2 214 B11R1.222 O=C(C1=NC=CC=C1Br)OC AK-28556 [0,1,0,0,0,0|2,0,0]=3 215 B11R1.222 O=C(C1=NC=CC=C1F)OC AK-30151 [0,1,0,0,0,0|2,0,0]=3 216 B11R1.222 O=C(C1=NC=CC=C1O)OC AK-26201 [0,1,0,0,0,0|2,0,0]=3 217 B11R1.222 O=C(C1=NC=CN=C1I)OC AK-30597 [0,1,0,0,0,0|1,0,0]=2 218 B11R1.222 O=C(C1=NC=CN=C1N)NN AK-30747 [0,1,0,0,0,0|3,0,0]=4 219 B11R1.222 O=C(NC)C1=CC=CC=C1N AK-26614 [0,1,0,0,0,0|2,0,0]=3 220 B11R1.222 O=C(NN)C1=CC=CC=C1O AK167835 [0,1,0,0,0,0|3,0,0]=4 221 B11R1.222 O=C(OC)C1=C(O)N=CC=C1 AK-54451 [0,1,0,0,0,0|0,0,0]=1 222 B11R1.222 O=C(OC)C1=CC=CC=C1C AK174020 [0,1,0,0,0,0|1,0,0]=2 223 B11R1.222 O=C(OC)C1=CC=CC=C1Cl AK161838 [0,1,0,0,0,0|1,0,0]=2 224 B11R1.222 O=C(OC)C1=CC=CC=C1I AK-76653 [0,1,0,0,0,0|1,0,0]=2 225 B11R1.222 O=C(OC)C1=CC=CC=C1S AK554462 [0,1,0,0,0,0|1,0,0]=2 226 B11R1.222 O=C(OC)C1=CC=NC=C1Br AK-46004 [0,1,0,0,0,0|2,0,0]=3 227 B11R1.222 O=C(OC)C1=CC=NC=C1N AK-28029 [0,1,0,0,0,0|2,0,0]=3 228 B11R1.222 O=C(OC)C1=CC=NC=C1O AK-49202 [0,1,0,0,0,0|2,0,0]=3 229 B11R1.222 O=C(OC)C1=CN=CC=C1C AK-39773 [0,1,0,0,0,0|0,0,0]=1 230 B11R1.222 O=C(OC)C1=CN=CC=C1N AK-25475 [0,1,0,0,0,0|0,0,0]=1 231 B11R1.222 O=C(OC)C1=NC=CC=C1N AK-29219 [0,1,0,0,0,0|2,0,0]=3 232 B11R1.222 OC1=CC=CC=C1C(NO)=O AK-48843 [0,1,0,0,0,0|3,0,0]=4 233 B11R1.222 OC1=NC=CN=C1C(=O)OC AK-39232 [0,1,0,0,0,0|1,0,0]=2 234 B11R2.1 BrC1=CNC2=C1C=NC=C2 AK115942 [0,0,0,1,0,0|3,0,0]=4 235 B11R2.1 BrC1=CSC2=C1C=NC=C2 AK-79310 [0,0,0,1,0,0|3,0,0]=4 236 B11R2.1 BrC1=CSC2=NC=CC=C21 AK-30778 [0,0,0,1,0,0|3,0,0]=4 237 B11R2.1 BrC1=C[NH]C2=NC=CC=C12 AK-24119 [0,0,0,1,0,0|3,0,0]=4 238 B11R2.1 BrC1=NNC2=C1C=CC=N2 AK-39344 [0,0,0,1,0,0|3,0,0]=4 239 B11R2.1 C1=CC=CC2=C1C(CC2)=O AK-44115 [0,0,0,1,0,0|2,0,0]=3 240 B11R2.1 C1=CC=CC2=C1C(CO2)=O AK-45365 [0,0,0,1,0,0|3,0,0]=4 241 B11R2.1 CC1=C2C=CC=NC2=N[NH]1 AK-28223 [0,0,0,1,0,0|3,0,0]=4 242 B11R2.1 CC1=CCC2=CC=CC=C12 AK-79878 [0,0,0,1,0,0|3,0,0]=4 243 B11R2.1 CC1=CNC2=C1C=CC=N2 AK-49155 [0,0,0,1,0,0|3,0,0]=4 244 B11R2.1 ClC1=CNC2=C1C=CC=N2 AK-25034 [0,0,0,1,0,0|3,0,0]=4 245 B11R2.1 IC1=CNC2=C1C=NC=C2 AK-68321 [0,0,0,1,0,0|3,0,0]=4 246 B11R2.1 IC1=NNC2=NC=CC=C21 AK-37628 [0,0,0,1,0,0|3,0,0]=4 247 B11R2.1 NC1=NCC2=C1C=CC=C2 AK166973 [0,0,0,1,0,0|3,0,0]=4 248 B11R2.1 NC1=NNC2=C1C=CC=N2 AK-28220 [0,0,0,1,0,0|3,0,0]=4 249 B11R2.1 NC1=NSC2=NC=CC=C21 AK-30764 [0,0,0,1,0,0|3,0,0]=4 250 B11R2.1 O=C1C2=CC=CC=C2SC1 AK-29817 [0,0,0,1,0,0|3,0,0]=4 251 B11R2.1 O=C1CCC2=CC=CN=C21 AK-29125 [0,0,0,1,0,0|3,0,0]=4 252 B11R2.1 O=C1NCC2=C1C=CC=C2 AK-68456 [0,0,0,1,0,0|2,0,0]=3 253 B11R2.1 O=C1NCC2=C1C=CC=N2 AK103949 [0,0,0,1,0,0|1,0,0]=2 254 B11R2.1 O=C1NCC2=C1C=CN=C2 AK173131 [0,0,0,1,0,0|3,0,0]=4 255 B11R2.1 O=C1NNC2=C1C=CC=N2 AK-30879 [0,0,0,1,0,0|2,0,0]=3 256 B11R2.1 O=C1OCC2=C1C=CC=C2 AK-78719 [0,0,0,1,0,0|1,0,0]=2 257 B11R2.1 O=C1OCC2=NC=CC=C12 AK-45766 [0,0,0,1,0,0|0,0,0]=1 258 B11R2.40 NC1(C2=CC=CN=C2)CC1 AK-68608 [0,0,0,1,0,0|2,0,1]=4 259 B9R1.11 BrCC(=O)C1=CC=CS1 AK-53454 [0,0,0,0,1,0|3,0,0]=4 260 B9R1.11 BrCC(C1=NC=CS1)=O AK-45640 [0,0,0,0,1,0|3,0,0]=4 261 B9R1.11 C1=C(C(=O)OC)SC=N1 AK-29865 [0,0,0,0,1,0|1,0,0]=2 262 B9R1.11 CCC(C1=NC=CS1)=O AK113134 [0,0,0,0,1,0|2,0,0]=3 263 B9R1.11 COC(=O)C1=CNC=C1 AK-39320 [0,0,0,0,1,0|0,0,1]=2 264 B9R1.11 COC(=O)C1=COC=N1 AK100835 [0,0,0,0,1,0|1,0,0]=2 265 B9R1.11 COC(=O)C1=NC=CO1 AK109950 [0,0,0,0,1,0|1,0,0]=2 266 B9R1.11 O=C(C1=CC=CN1)OC AK-27729 [0,0,0,0,1,0|0,0,1]=2 267 B9R1.11 O=C(C1=CC=CS1)OC AK-48323 [0,0,0,0,1,0|1,0,0]=2 268 B9R1.11 O=C(C1=CCCC1)OC AK-39180 [0,0,0,0,1,0|0,0,3]=4 269 B9R1.11 O=C(C1=CN=CN1)OC AK-25496 [0,0,0,0,1,0|1,0,0]=2 270 B9R1.11 O=C(C1=CN=CN1)OC AK-40808 [0,0,0,0,1,0|1,0,0]=2 271 B9R1.11 O=C(C1=CNN=C1)OC AK-65272 [0,0,0,0,1,0|1,0,0]=2 272 B9R1.11 O=C(C1=CSC=C1)OC AK-48045 [0,0,0,0,1,0|1,0,0]=2 273 B9R1.11 O=C(C1=CSC=N1)OC AK-21853 [0,0,0,0,1,0|1,0,0]=2 274 B9R1.11 O=C(C1=NC=CN1)OC AK-59662 [0,0,0,0,1,0|1,0,0]=2 275 B9R1.11 O=C(C1=NC=CS1)OC AK-50497 [0,0,0,0,1,0|1,0,0]=2 276 B9R1.11 O=C(C1=NNC=C1)OC AK-31981 [0,0,0,0,1,0|1,0,0]=2 277 B9R1.11 O=C(C1=NNC=N1)OC AK-30559 [0,0,0,0,1,0|2,0,0]=3 278 B11R1.40 C=CC(NC1=CC=CC=C1)=O AK122185 [0,0,0,0,0,1|2,0,1]=4 279 B11R1.40 NNC(=O)CC1=CC=CC=C1 AK-77117 [0,0,0,0,0,1|3,0,0]=4 280 B11R1.40 O=C(NC)CC1=CC=CN=C1 AK175433 [0,0,0,0,0,1|1,0,0]=2 281 B11R1.40 O=C(NC1=CC=CC=C1)CCl AK-95957 [0,0,0,0,0,1|3,0,0]=4 282 B11R1.40 O=C(OC)CC1=CC=CC=C1 AK163377 [0,0,0,0,0,1|1,0,0]=2 283 B11R1.40 O=C(OC)CC1=NC=CN=C1 AK-45166 [0,0,0,0,0,1|1,0,0]=2 284 B11R1.40 O=C(OC)CC1=NC=NC=C1 AK-47129 [0,0,0,0,0,1|3,0,0]=4 285 B11R1.40 O=C(OC)OC1=CC=CC=C1 AK600729 [0,0,0,0,0,1|1,0,0]=2 286 B11R1.40 O=C(OC1=CC=CC=C1)CBr AK105971 [0,0,0,0,0,1|3,0,0]=4 287 B8R1.2 BrCC1=CC=CN=C1 AK-44682 [2,0,0,0,0,0|1,0,1]=4 288 B8R1.2 C#CC1=CC=CN=C1 AK-39524 [2,0,0,0,0,0|0,0,2]=4 289 B8R1.2 C1=CN=CC=C1OC AK-54547 [2,0,0,0,0,0|2,0,0]=4 290 B8R1.2 C1=NC=C(N=C1)CO AK-45812 [2,0,0,0,0,0|1,0,1]=4 291 B8R1.2 CNC1=CC=CN=C1 AK-72893 [2,0,0,0,0,0|1,0,0]=3 292 B8R1.2 CNC1=CC=NN=C1 AK545083 [2,0,0,0,0,0|2,0,0]=4 293 B8R1.2 COC1=CC=CN=C1 AK-76565 [2,0,0,0,0,0|0,0,0]=2 294 B8R1.2 COC1=CC=CN=N1 AK-28954 [2,0,0,0,0,0|1,0,0]=3 295 B8R1.2 COC1=CN=CN=C1 AK-31068 [2,0,0,0,0,0|1,0,0]=3 296 B8R1.2 CSC1=NC=CN=C1 AK-41535 [2,0,0,0,0,0|1,1,0]=4 297 B8R1.2 N#CC1=CN=CC=C1 AK-76753 [2,0,0,0,0,0|1,0,1]=4 298 B8R1.2 N1=CN=CC(=C1)C=O AK-25240 [2,0,0,0,0,0|1,0,0]=3 299 B8R1.2 NNC1=CC=CN=C1 AK-40869 [2,0,0,0,0,0|2,0,0]=4 300 B8R1.2 NNC1=CC=CN=C1 AK-75799 [2,0,0,0,0,0|2,0,0]=4 301 B8R1.2 NOC1=CC=CC=C1 AK-77703 [2,0,0,0,0,0|2,0,0]=4 302 B8R1.2 O=CC1=CC=NC=C1 AK-50192 [2,0,0,0,0,0|2,0,0]=4 303 B8R1.2 OCC1=CC=CN=C1 AK-46173 [2,0,0,0,0,0|0,0,1]=3 304 B8R1.2 OCC1=CN=CN=C1 AK-32022 [2,0,0,0,0,0|1,0,1]=4 305 B8R1.2 ONC1=CC=CC=C1 AK139965 [2,0,0,0,0,0|2,0,0]=4 306 B10R1.13 BrC1=CN=C(C=N1)C(=O)O AK-24192 [1,1,0,0,0,0|1,0,0]=3 307 B10R1.13 C(C)(=O)C1=CC=C(N=C1)Br AK-25404 [1,1,0,0,0,0|0,0,0]=2 308 B10R1.13 C1=C(C=CC(=N1)Cl)B(O)O AK-29256 [1,1,0,0,0,0|1,0,1]=4 309 B10R1.13 C1=C(C=CC(=N1)F)B(O)O AK-29209 [1,1,0,0,0,0|1,0,1]=4 310 B10R1.13 C1=C(C=CC(=N1)F)[N+]([O-])=O AK-25997 [1,1,0,0,0,0|1,0,1]=4 311 B10R1.13 C1=C(C=NC(=C1)N)C(=O)O AK-25111 [1,1,0,0,0,0|0,0,0]=2 312 B10R1.13 C1=C(N=CC(=C1)C(C)=O)C AK-25853 [1,1,0,0,0,0|0,0,0]=2 313 B10R1.13 C1=CC(=CC=C1C(C)=O)F AK-41690 [1,1,0,0,0,0|1,0,0]=3 314 B10R1.13 C1=CC(=CC=C1C(N)=O)F AK-47676 [1,1,0,0,0,0|2,0,0]=4 315 B10R1.13 C1=CC(=CC=C1C(O)=O)Br AK-50463 [1,1,0,0,0,0|1,0,0]=3 316 B10R1.13 C1=CC(=CC=C1C(O)=O)F AK-73077 [1,1,0,0,0,0|1,0,0]=3 317 B10R1.13 C1=CC(=CN=C1C(O)=O)C AK-27814 [1,1,0,0,0,0|2,0,0]=4 318 B10R1.13 C1=CC(=NC=C1C(N)=O)C AK-48877 [1,1,0,0,0,0|1,0,0]=3 319 B10R1.13 C1=CC(=NC=C1[N+](=O)[O-])Br AK-35205 [1,1,0,0,0,0|1,0,1]=4 320 B10R1.13 C1=CC(=NC=C1[N+](=O)[O-])Cl AK-25992 [1,1,0,0,0,0|1,0,1]=4 321 B10R1.13 C1=CC(=NC=C1[N+](=O)[O-])N AK-30014 [1,1,0,0,0,0|1,0,1]=4 322 B10R1.13 C1=NC(=CC=C1C(=O)O)F AK-25936 [1,1,0,0,0,0|0,0,0]=2 323 B10R1.13 C1=NC(=CN=C1C(=O)N)Cl AK-28055 [1,1,0,0,0,0|2,0,0]=4 324 B10R1.13 C1=NC(=CN=C1C(=O)O)Cl AK-24710 [1,1,0,0,0,0|1,0,0]=3 325 B10R1.13 CC(=O)C1=CC=C(N)N=C1 AK-67650 [1,1,0,0,0,0|0,0,0]=2 326 B10R1.13 CC(C1=CC=C(Br)C=C1)=O AK124422 [1,1,0,0,0,0|1,0,0]=3 327 B10R1.13 CC(C1=CC=C(C)C=C1)=O AK-41305 [1,1,0,0,0,0|1,0,0]=3 328 B10R1.13 CC(C1=CC=C(F)N=C1)=O AK-29672 [1,1,0,0,0,0|0,0,0]=2 329 B10R1.13 CC(C1=CC=C(N)C=C1)=O AK110424 [1,1,0,0,0,0|1,0,0]=3 330 B10R1.13 CC(C1=CC=C(O)C=C1)=O AK-86441 [1,1,0,0,0,0|1,0,0]=3 331 B10R1.13 CC(C1=CC=C(O)N=C1)=O AK-40333 [1,1,0,0,0,0|0,0,0]=2 332 B10R1.13 CC(C1=CN=C(Cl)N=C1)=O AK135579 [1,1,0,0,0,0|1,0,0]=3 333 B10R1.13 CC(C1=CN=C(N)C=C1)C AK-81363 [1,1,0,0,0,0|1,0,1]=4 334 B10R1.13 CC(C1=NC=C(Br)C=C1)=O AK-28454 [1,1,0,0,0,0|2,0,0]=4 335 B10R1.13 CC(C1=NC=C(Cl)C=C1)=O AK-77099 [1,1,0,0,0,0|2,0,0]=4 336 B10R1.13 CC(C1=NC=C(Cl)N=C1)=O AK-42149 [1,1,0,0,0,0|1,0,0]=3 337 B10R1.13 CC(C1=NC=C(O)C=C1)=O AK116053 [1,1,0,0,0,0|2,0,0]=4 338 B10R1.13 CC(C1=NC=C(O)N=C1)=O AK134806 [1,1,0,0,0,0|1,0,0]=3 339 B10R1.13 CC(N)C1=CC=C(C)N=C1 AK684509 [1,1,0,0,0,0|1,0,1]=4 340 B10R1.13 CC(O)C1=CN=C(C)C=C1 AK-32149 [1,1,0,0,0,0|0,0,2]=4 341 B10R1.13 CC1=CC=C(S(O)=O)C=C1 AK-46949 [1,1,0,0,0,0|2,0,0]=4 342 B10R1.13 CC1=NC=C(C=C1)B(O)O AK-27039 [1,1,0,0,0,0|1,0,1]=4 343 B10R1.13 CC1=NC=C(C=N1)C(=O)O AK-25207 [1,1,0,0,0,0|1,0,0]=3 344 B10R1.13 ClC1=CC=C(C(C)=O)C=N1 AK-26129 [1,1,0,0,0,0|0,0,0]=2 345 B10R1.13 ClC1=CC=C(N=C1)C(=O)O AK-26702 [1,1,0,0,0,0|2,0,0]=4 346 B10R1.13 ClC1=CC=C(N=N1)C(=O)N AK-28115 [1,1,0,0,0,0|2,0,0]=4 347 B10R1.13 ClC1=CC=C(N=N1)C(=O)O AK-23862 [1,1,0,0,0,0|1,0,0]=3 348 B10R1.13 FC1=CC=C(N=C1)C(=O)O AK-28724 [1,1,0,0,0,0|2,0,0]=4 349 B10R1.13 N=C(N)C1=CN=C(Cl)C=C1 AK-67868 [1,1,0,0,0,0|2,0,0]=4 350 B10R1.13 NC(=O)C1=CC=C(Br)C=C1 AK-76760 [1,1,0,0,0,0|2,0,0]=4 351 B10R1.13 NC(=O)C1=NC=C(N)N=C1 AK102768 [1,1,0,0,0,0|2,0,0]=4 352 B10R1.13 NC1=CN=C(C=C1)C(=O)O AK-25651 [1,1,0,0,0,0|2,0,0]=4 353 B10R1.13 NC1=NC=C(C=C1)B(O)O AK-36570 [1,1,0,0,0,0|1,0,1]=4 354 B10R1.13 NC1=NC=C(N=C1)C(=O)O AK-24195 [1,1,0,0,0,0|1,0,0]=3 355 B10R1.13 O=C(C1=CC=C(Cl)N=C1)N AK-44668 [1,1,0,0,0,0|1,0,0]=3 356 B10R1.13 O=C(C1=CN=C(Cl)N=C1)O AK-25020 [1,1,0,0,0,0|1,0,0]=3 357 B10R1.13 O=C(C1=CN=C(N)N=C1)O AK-17303 [1,1,0,0,0,0|1,0,0]=3 358 B10R1.13 O=C(C1=CN=C(O)N=C1)O AK-55017 [1,1,0,0,0,0|1,0,0]=3 359 B10R1.13 O=C(C1=CNC(C=N1)=O)O AK-24756 [1,1,0,0,0,0|1,0,1]=4 360 B10R1.13 O=C(C1=NC=C(Br)C=C1)O AK-25747 [1,1,0,0,0,0|2,0,0]=4 361 B10R1.13 O=C(C1=NC=C(Br)N=C1)N AK156282 [1,1,0,0,0,0|2,0,0]=4 362 B10R1.13 O=C(C1=NN=C(N)C=C1)O AK-26163 [1,1,0,0,0,0|1,0,0]=3 363 B10R1.13 O=C(C1=NN=C(O)C=C1)O AK-25880 [1,1,0,0,0,0|1,0,0]=3 364 B10R1.13 O=C(C1=NN=C(O)C=C1)O AK601861 [1,1,0,0,0,0|1,0,0]=3 365 B10R1.13 O=C(N)C1=CC=C(Cl)C=C1 AK113058 [1,1,0,0,0,0|2,0,0]=4 366 B10R1.13 O=C(N)C1=CC=C(N)C=C1 AK151254 [1,1,0,0,0,0|2,0,0]=4 367 B10R1.13 O=C(N)C1=CC=C(O)C=C1 AK151255 [1,1,0,0,0,0|2,0,0]=4 368 B10R1.13 O=C(N)C1=CN=C(Br)C=C1 AK-41744 [1,1,0,0,0,0|1,0,0]=3 369 B10R1.13 O=C(N)C1=CN=C(N)C=C1 AK161454 [1,1,0,0,0,0|1,0,0]=3 370 B10R1.13 O=C(O)C1=CC=C(C)C=C1 AK106262 [1,1,0,0,0,0|1,0,0]=3 371 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 AK-44086 [1,1,0,0,0,0|1,0,0]=3 372 B10R1.13 O=C(O)C1=CC=C(I)C=C1 AK-73094 [1,1,0,0,0,0|1,0,0]=3 373 B10R1.13 O=C(O)C1=CC=C(N)C=C1 AK-41178 [1,1,0,0,0,0|1,0,0]=3 374 B10R1.13 O=C(O)C1=CC=C(O)C=C1 AK106263 [1,1,0,0,0,0|1,0,0]=3 375 B10R1.13 O=C(O)C1=CN=C(C)C=C1 AK-29149 [1,1,0,0,0,0|0,0,0]=2 376 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 AK-26081 [1,1,0,0,0,0|0,0,0]=2 377 B10R1.13 O=C(O)C1=CNC(C=C1)=O AK-26034 [1,1,0,0,0,0|0,0,1]=3 378 B10R1.13 O=C(O)C1=NC=C(O)C=C1 AK-24769 [1,1,0,0,0,0|2,0,0]=4 379 B10R1.13 O=C([O-])C1=CC=C(N)C=C1 AK116649 [1,1,0,0,0,0|1,0,1]=4 380 B10R1.13 O=C([O-])C1=CC=C(O)C=C1 AK306852 [1,1,0,0,0,0|1,0,1]=4 381 B10R1.13 O=C1C=CC(C(O)=O)=CO1 AK-46024 [1,1,0,0,0,0|1,0,0]=3 382 B10R1.13 O=S(C1=CC=C(C)C=C1)O AK143296 [1,1,0,0,0,0|2,0,0]=4 383 B10R1.13 O=[N+](C1=CN=C(C)C=C1)[O-] AK-28977 [1,1,0,0,0,0|1,0,1]=4 384 B10R1.13 OB(C1=CC=C(O)N=C1)O AK-40749 [1,1,0,0,0,0|1,0,1]=4 385 B10R1.13 OB(C1=CN=C(Br)C=C1)O AK-27206 [1,1,0,0,0,0|1,0,1]=4 386 B10R1.13 OC(=O)C1=CC=C(Br)N=C1 AK-26208 [1,1,0,0,0,0|0,0,0]=2 387 B10R1.13 OC(=O)C1=NC=C(I)C=C1 AK-29144 [1,1,0,0,0,0|2,0,0]=4 388 B10R1.13 OC1=CC=C(C(C)=C)C=C1 AK117164 [1,1,0,0,0,0|2,0,0]=4 389 B10R1.28 C1=C([S](O)(=O)=O)C=CC=C1 AK-51336 [1,1,0,0,0,0|2,0,0]=4 390 B10R1.28 CC(N)(C1=CC=CN=C1)C AK-86166 [1,1,0,0,0,0|1,0,1]=4 391 B10R1.28 N1=CC(=CC=C1)[S](=O)(=O)Cl AK-27033 [1,1,0,0,0,0|1,0,1]=4 392 B10R1.28 N1=CC(=CC=C1)[S](=O)(=O)Cl AK-27053 [1,1,0,0,0,0|1,0,1]=4 393 B10R1.28 O=S(C1=CC=CN=C1)(O)=O AK-47361 [1,1,0,0,0,0|1,0,0]=3 394 B10R1.61 BrC1=C(C=CN=C1)C(=O)O AK-23517 [1,1,0,0,0,0|2,0,0]=4 395 B10R1.61 BrC1=CC=CN=C1C(=O)O AK-25745 [1,1,0,0,0,0|2,0,0]=4 396 B10R1.61 BrC1=NC=CN=C1C(=O)O AK-30736 [1,1,0,0,0,0|1,0,0]=3 397 B10R1.61 C1=C(C(=NC=C1)Cl)C(N)=O AK-39181 [1,1,0,0,0,0|1,0,0]=3 398 B10R1.61 C1=C(C(=NC=C1)Cl)C(O)=O AK-27015 [1,1,0,0,0,0|0,0,0]=2 399 B10R1.61 C1=C(C(=NC=C1)F)C(O)=O AK-25163 [1,1,0,0,0,0|0,0,0]=2 400 B10R1.61 C1=C(C(=NC=C1)N)[N+](=O)[O-] AK-25955 [1,1,0,0,0,0|1,0,1]=4 401 B10R1.61 C1=CC=CC(=C1C(C)=O)Br AK-48030 [1,1,0,0,0,0|1,0,0]=3 402 B10R1.61 C1=CC=CC(=C1C(C)=O)N AK-27106 [1,1,0,0,0,0|1,0,0]=3 403 B10R1.61 C1=CC=CC(=C1C(O)=O)F AK-40433 [1,1,0,0,0,0|1,0,0]=3 404 B10R1.61 C1=CC=CC(=C1O)C(=O)C AK-44482 [1,1,0,0,0,0|1,0,0]=3 405 B10R1.61 C1=CC=NC(=C1C)C(O)=O AK-26613 [1,1,0,0,0,0|2,0,0]=4 406 B10R1.61 C1=CC=NC(=C1[N+]([O-])=O)Br AK-33945 [1,1,0,0,0,0|1,0,1]=4 407 B10R1.61 C1=CN=C(C(=C1)C(=O)N)F AK-25200 [1,1,0,0,0,0|1,0,0]=3 408 B10R1.61 C1=CN=C(C(=N1)C(O)=O)N AK-16902 [1,1,0,0,0,0|1,0,0]=3 409 B10R1.61 C1=CN=CC(=C1C(=O)O)F AK-25903 [1,1,0,0,0,0|2,0,0]=4 410 B10R1.61 C1=NC=CC(=C1C(O)=O)C AK-34679 [1,1,0,0,0,0|0,0,0]=2 411 B10R1.61 C1=NC=CC(=C1[N+]([O-])=O)Cl AK-25355 [1,1,0,0,0,0|1,0,1]=4 412 B10R1.61 CC(=O)C1=C(C)N=CC=N1 AK-89662 [1,1,0,0,0,0|1,0,0]=3 413 B10R1.61 CC(=O)C1=C(I)C=CC=C1 AK-84650 [1,1,0,0,0,0|1,0,0]=3 414 B10R1.61 CC(=O)C1=CC=CN=C1F AK-36408 [1,1,0,0,0,0|0,0,0]=2 415 B10R1.61 CC(=O)C1=CC=CN=C1N AK-61895 [1,1,0,0,0,0|0,0,0]=2 416 B10R1.61 CC(=O)C1=NC=CC=C1F AK-36671 [1,1,0,0,0,0|2,0,0]=4 417 B10R1.61 CC(C1=C(O)C=NC=C1)=O AK-68365 [1,1,0,0,0,0|2,0,0]=4 418 B10R1.61 CC(C1=CC=CC=C1C)=O AK-76969 [1,1,0,0,0,0|1,0,0]=3 419 B10R1.61 CC(C1=CC=CC=C1F)=O AK-44672 [1,1,0,0,0,0|1,0,0]=3 420 B10R1.61 CC(C1=CC=CN=C1C)=O AK-60286 [1,1,0,0,0,0|0,0,0]=2 421 B10R1.61 CC(C1=NC=CC=C1Br)=O AK-91392 [1,1,0,0,0,0|2,0,0]=4 422 B10R1.61 CC(C1=NC=CC=C1Cl)=O AK128527 [1,1,0,0,0,0|2,0,0]=4 423 B10R1.61 CC(C1=NC=CC=C1O)=O AK-57786 [1,1,0,0,0,0|2,0,0]=4 424 B10R1.61 CC(O)C1=CC=CN=C1Cl AK118779 [1,1,0,0,0,0|0,0,2]=4 425 B10R1.61 CC1=C(C(=O)N)C=CC=N1 AK-39636 [1,1,0,0,0,0|1,0,0]=3 426 B10R1.61 CC1=C(C(=O)O)C=CC=N1 AK-25768 [1,1,0,0,0,0|0,0,0]=2 427 B10R1.61 CC1=C(C=NC=C1)[N+]([O-])=O AK104739 [1,1,0,0,0,0|1,0,1]=4 428 B10R1.61 CC1=C(C=NC=N1)C(O)=O AK-32530 [1,1,0,0,0,0|1,0,0]=3 429 B10R1.61 CC1=NC=CC=C1B(O)O AK142095 [1,1,0,0,0,0|1,0,1]=4 430 B10R1.61 CC1=NC=CC=C1N(=O)=O AK-26710 [1,1,0,0,0,0|1,0,1]=4 431 B10R1.61 CC1=NC=CN=C1C(=O)O AK-25946 [1,1,0,0,0,0|1,0,0]=3 432 B10R1.61 ClC1=C(C(=O)O)C=CN=C1 AK-26411 [1,1,0,0,0,0|2,0,0]=4 433 B10R1.61 ClC1=CC=CN=C1C(=O)O AK-23699 [1,1,0,0,0,0|2,0,0]=4 434 B10R1.61 ClC1=CC=NC=C1C(=O)O AK-25252 [1,1,0,0,0,0|0,0,0]=2 435 B10R1.61 ClC1=NC=CC=C1B(O)O AK-29980 [1,1,0,0,0,0|1,0,1]=4 436 B10R1.61 ClC1=NC=CN=C1C(=O)O AK-24100 [1,1,0,0,0,0|1,0,0]=3 437 B10R1.61 FC1=C(C=CN=C1)C(C)=O AK-37142 [1,1,0,0,0,0|2,0,0]=4 438 B10R1.61 FC1=C(N=CC=C1)C(=O)O AK-28801 [1,1,0,0,0,0|2,0,0]=4 439 B10R1.61 FC1=NC=CC=C1[N+](=O)[O-] AK-33351 [1,1,0,0,0,0|1,0,1]=4 440 B10R1.61 NC1=C(C(C)C)C=NC=C1 AK349169 [1,1,0,0,0,0|1,0,1]=4 441 B10R1.61 NC1=C(C=CN=N1)C(=O)O AK-24603 [1,1,0,0,0,0|1,0,0]=3 442 B10R1.61 NC1=C(C=NC=C1)C(=O)N AK-29493 [1,1,0,0,0,0|1,0,0]=3 443 B10R1.61 NC1=C(C=NC=C1)C(O)=O AK-27731 [1,1,0,0,0,0|0,0,0]=2 444 B10R1.61 O=C(C1=CN=CN=C1N)O AK-34045 [1,1,0,0,0,0|1,0,0]=3 445 B10R1.61 O=C(C1=CN=CN=C1O)N AK343645 [1,1,0,0,0,0|2,0,0]=4 446 B10R1.61 O=C(C1=CN=CNC1=O)O AK-39341 [1,1,0,0,0,0|1,0,0]=3 447 B10R1.61 O=C(C1=NC=CC=C1N)O AK-25432 [1,1,0,0,0,0|2,0,0]=4 448 B10R1.61 O=C(C1=NC=CN=C1Cl)N AK-80835 [1,1,0,0,0,0|2,0,0]=4 449 B10R1.61 O=C(C1=NC=CN=C1I)O AK-30598 [1,1,0,0,0,0|1,0,0]=3 450 B10R1.61 O=C(C1=NC=CN=C1O)N AK-39215 [1,1,0,0,0,0|2,0,0]=4 451 B10R1.61 O=C(C1=NC=CNC1=O)O AK-30536 [1,1,0,0,0,0|1,0,1]=4 452 B10R1.61 O=C(N)C1=CC=CC=C1Br AK-47071 [1,1,0,0,0,0|2,0,0]=4 453 B10R1.61 O=C(N)C1=CC=CC=C1Cl AK128986 [1,1,0,0,0,0|2,0,0]=4 454 B10R1.61 O=C(N)C1=CC=CC=C1F AK161780 [1,1,0,0,0,0|2,0,0]=4 455 B10R1.61 O=C(N)C1=CC=CC=C1I AK115884 [1,1,0,0,0,0|2,0,0]=4 456 B10R1.61 O=C(N)C1=CC=CC=C1N AK109256 [1,1,0,0,0,0|2,0,0]=4 457 B10R1.61 O=C(O)C1=C(N)N=CC=C1 AK-26982 [1,1,0,0,0,0|0,0,0]=2 458 B10R1.61 O=C(O)C1=C(S)N=CC=C1 AK-48961 [1,1,0,0,0,0|0,0,0]=2 459 B10R1.61 O=C(O)C1=CC=CC=C1Br AK-77301 [1,1,0,0,0,0|1,0,0]=3 460 B10R1.61 O=C(O)C1=CC=CC=C1C AK116916 [1,1,0,0,0,0|1,0,0]=3 461 B10R1.61 O=C(O)C1=CC=CC=C1Cl AK-44481 [1,1,0,0,0,0|1,0,0]=3 462 B10R1.61 O=C(O)C1=CC=CC=C1I AK-73132 [1,1,0,0,0,0|1,0,0]=3 463 B10R1.61 O=C(O)C1=CC=NC=C1C AK-30383 [1,1,0,0,0,0|2,0,0]=4 464 B10R1.61 O=C(O)C1=CC=NC=C1N AK-23678 [1,1,0,0,0,0|2,0,0]=4 465 B10R1.61 O=C(O)C1=CC=NC=C1O AK-23523 [1,1,0,0,0,0|2,0,0]=4 466 B10R1.61 O=C(O)C1=CN=CC=C1Br AK-25100 [1,1,0,0,0,0|0,0,0]=2 467 B10R1.61 O=C(O)C1=CN=CC=C1C AK-75600 [1,1,0,0,0,0|0,0,0]=2 468 B10R1.61 O=C(O)C1=NC=CC=C1I AK-29488 [1,1,0,0,0,0|2,0,0]=4 469 B10R1.61 O=C(O)C1=NC=CC=C1O AK-26380 [1,1,0,0,0,0|2,0,0]=4 470 B10R1.61 O=C1C(=CC=CN1)C(O)=O AK-47329 [1,1,0,0,0,0|0,0,1]=3 471 B10R1.61 O=C1C(=CNC=C1)C(=O)O AK-26174 [1,1,0,0,0,0|0,0,1]=3 472 B10R1.61 O=C1C(C(C)=O)=CC=CN1 AK-35911 [1,1,0,0,0,0|0,0,1]=3 473 B10R1.61 O=C1C(C(C)=O)=CNC=C1 AK501394 [1,1,0,0,0,0|0,0,1]=3 474 B10R1.61 O=[N+](C1=C(Br)C=CN=C1)[O-] AK-34243 [1,1,0,0,0,0|1,0,1]=4 475 B10R1.61 O=[N+](C1=C(C)C=CN=C1)[O-] AK-28081 [1,1,0,0,0,0|1,0,1]=4 476 B10R1.61 O=[N+](C1=C(N)C=CN=C1)[O-] AK-28863 [1,1,0,0,0,0|1,0,1]=4 477 B10R1.61 O=[N+](C1=CC=CN=C1C)[O-] AK-23642 [1,1,0,0,0,0|1,0,1]=4 478 B10R1.61 O=[N+](C1=CC=CN=C1Cl)[O-] AK-27005 [1,1,0,0,0,0|1,0,1]=4 479 B10R1.61 OB(C1=CC=CN=C1Br)O AK-27205 [1,1,0,0,0,0|1,0,1]=4 480 B10R1.61 OB(C1=CC=CN=C1F)O AK-27647 [1,1,0,0,0,0|1,0,1]=4 481 B10R1.61 OC(=O)C1=CC=CN=C1Br AK-25846 [1,1,0,0,0,0|0,0,0]=2 482 B10R1.61 OC(=O)C1=CC=NNC1=O AK-89567 [1,1,0,0,0,0|1,0,1]=4 483 B10R1.61 OC1=CC=CC=C1C(N)=O AK-81394 [1,1,0,0,0,0|2,0,0]=4 484 B10R1.61 OC1=CC=CC=C1C(O)=O AK397674 [1,1,0,0,0,0|1,0,0]=3 485 B10R1.61 SC1=NC=CC=C1[N+]([O-])=O AK-49743 [1,1,0,0,0,0|1,0,1]=4 486 B10R1.113 BrC1=CC(=CN=C1)C(=C)C AK-40102 [1,1,0,0,0,0|1,0,0]=3 487 B10R1.113 BrC1=CC(=CN=C1)[N+](=O)[O-] AK-24340 [1,1,0,0,0,0|1,0,1]=4 488 B10R1.113 C(C)(=O)C1=CC(=CN=C1)Br AK-25899 [1,1,0,0,0,0|0,0,0]=2 489 B10R1.113 C(C)(=O)C1=CC(=NC=C1)C AK-26955 [1,1,0,0,0,0|2,0,0]=4 490 B10R1.113 C(C)(=O)C1=NC(=CC=C1)Br AK-30565 [1,1,0,0,0,0|2,0,0]=4 491 B10R1.113 C1=C(C(C)=O)C=C(C=C1)O AK-46681 [1,1,0,0,0,0|1,0,0]=3 492 B10R1.113 C1=C(C=C(C=N1)B(O)O)C AK-27227 [1,1,0,0,0,0|1,0,1]=4 493 B10R1.113 C1=C(C=C(N=C1)N)C(=O)O AK-25375 [1,1,0,0,0,0|2,0,0]=4 494 B10R1.113 C1=C(C=CC=C1Cl)C(O)=O AK-43975 [1,1,0,0,0,0|1,0,0]=3 495 B10R1.113 C1=C(C=CC=C1F)C(O)=O AK-53854 [1,1,0,0,0,0|1,0,0]=3 496 B10R1.113 C1=C(C=NC=C1Br)C(N)=O AK-34529 [1,1,0,0,0,0|1,0,0]=3 497 B10R1.113 C1=C(C=NC=C1C(O)=O)F AK-25931 [1,1,0,0,0,0|0,0,0]=2 498 B10R1.113 C1=C(C=NC=C1C)C(O)=O AK-23837 [1,1,0,0,0,0|0,0,0]=2 499 B10R1.113 C1=C(C=NC=C1Cl)C(O)=O AK-25160 [1,1,0,0,0,0|0,0,0]=2 500 B10R1.113 C1=CC=C(F)N=C1C(=O)O AK-30385 [1,1,0,0,0,0|2,0,0]=4 501 B10R1.113 C1=CC=C(N=C1C(O)=O)C AK-27736 [1,1,0,0,0,0|2,0,0]=4 502 B10R1.113 C1=NC=C(C=C1C(=O)N)N AK-26169 [1,1,0,0,0,0|1,0,0]=3 503 B10R1.113 C1=NC=C(Cl)N=C1C(=O)O AK-27777 [1,1,0,0,0,0|1,0,0]=3 504 B10R1.113 C1=NC=C(N=C1C(=O)O)C AK-26120 [1,1,0,0,0,0|1,0,0]=3 505 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 AK-34279 [1,1,0,0,0,0|2,0,0]=4 506 B10R1.113 CC(C1=CC(F)=CN=C1)=O AK101043 [1,1,0,0,0,0|0,0,0]=2 507 B10R1.113 CC(C1=CC(N)=NC=C1)=O AK134215 [1,1,0,0,0,0|2,0,0]=4 508 B10R1.113 CC(C1=CC=CC(Br)=C1)=O AK-44590 [1,1,0,0,0,0|1,0,0]=3 509 B10R1.113 CC(C1=CC=CC(C)=C1)=O AK143347 [1,1,0,0,0,0|1,0,0]=3 510 B10R1.113 CC(C1=NC(Cl)=CC=C1)=O AK-29671 [1,1,0,0,0,0|2,0,0]=4 511 B10R1.113 CC(C1=NC(F)=CC=C1)=O AK-74181 [1,1,0,0,0,0|2,0,0]=4 512 B10R1.113 CC(C1=NC=CC(C)=C1)=O AK-61872 [1,1,0,0,0,0|2,0,0]=4 513 B10R1.113 CC(C1=NC=CC(Cl)=C1)=O AK-30041 [1,1,0,0,0,0|2,0,0]=4 514 B10R1.113 CC1=CC=CC(C(C)=O)=N1 AK-30134 [1,1,0,0,0,0|2,0,0]=4 515 B10R1.113 CC1=CC=NC(=C1)C(=O)O AK-30381 [1,1,0,0,0,0|2,0,0]=4 516 B10R1.113 C[C@@H](N)C1=CC(Cl)=CN=C1 AK668419 [1,1,0,0,0,0|1,0,1]=4 517 B10R1.113 C[C@H](N)C1=CC(F)=CN=C1 AK335908 [1,1,0,0,0,0|1,0,1]=4 518 B10R1.113 ClC1=CC(=CN=C1)N(=O)=O AK-23519 [1,1,0,0,0,0|1,0,1]=4 519 B10R1.113 NC(=O)C1=CN=CC(Cl)=N1 AK-39096 [1,1,0,0,0,0|2,0,0]=4 520 B10R1.113 NC1=CC(C(C)=O)=CC=C1 AK-83273 [1,1,0,0,0,0|1,0,0]=3 521 B10R1.113 NC1=CC=NC(=C1)C(=O)O AK-72771 [1,1,0,0,0,0|2,0,0]=4 522 B10R1.113 NC1=CN=CC(=C1)B(O)O AK-75513 [1,1,0,0,0,0|1,0,1]=4 523 B10R1.113 NC1=CN=CC(=C1)C(O)=O AK-34306 [1,1,0,0,0,0|0,0,0]=2 524 B10R1.113 NC1=CN=CC(=N1)C(=O)O AK-30537 [1,1,0,0,0,0|1,0,0]=3 525 B10R1.113 NC1=CN=CC(B(O)O)=C1 AK-32936 [1,1,0,0,0,0|1,0,1]=4 526 B10R1.113 O=C(C1=CC=CC(Cl)=N1)O AK-26005 [1,1,0,0,0,0|2,0,0]=4 527 B10R1.113 O=C(C1=CC=CC(N1)=O)O AK-25557 [1,1,0,0,0,0|2,0,0]=4 528 B10R1.113 O=C(C1=NC(Br)=CN=C1)O AK158200 [1,1,0,0,0,0|1,0,0]=3 529 B10R1.113 O=C(C1=NC=CC(Br)=C1)O AK-23753 [1,1,0,0,0,0|2,0,0]=4 530 B10R1.113 O=C(C1=NN=CC(Cl)=C1)O AK398901 [1,1,0,0,0,0|1,0,0]=3 531 B10R1.113 O=C(C=1C=CNC(C1)=O)O AK-75663 [1,1,0,0,0,0|2,0,0]=4 532 B10R1.113 O=C(C=1C=CNC(C1)=S)O AK161760 [1,1,0,0,0,0|2,0,0]=4 533 B10R1.113 O=C(N)C1=CC=CC(Br)=C1 AK-61366 [1,1,0,0,0,0|2,0,0]=4 534 B10R1.113 O=C(O)C1=CC=CC(Br)=C1 AK-77039 [1,1,0,0,0,0|1,0,0]=3 535 B10R1.113 O=C(O)C1=CC=CC(C)=C1 AK116994 [1,1,0,0,0,0|1,0,0]=3 536 B10R1.113 O=C(O)C1=CC=CC(I)=C1 AK-40488 [1,1,0,0,0,0|1,0,0]=3 537 B10R1.113 O=C(O)C1=CC=CC(N)=C1 AK-41177 [1,1,0,0,0,0|1,0,0]=3 538 B10R1.113 O=C(O)C1=CC=CC(O)=C1 AK-50288 [1,1,0,0,0,0|1,0,0]=3 539 B10R1.113 O=C(O)C1=CC=NC(Br)=C1 AK-26241 [1,1,0,0,0,0|2,0,0]=4 540 B10R1.113 O=C(O)C1=CC=NC(C)=C1 AK-23516 [1,1,0,0,0,0|2,0,0]=4 541 B10R1.113 O=C(O)C1=CC=NC(O)=C1 AK-27187 [1,1,0,0,0,0|2,0,0]=4 542 B10R1.113 O=C(O)C1=CN=CC(Br)=C1 AK-25583 [1,1,0,0,0,0|0,0,0]=2 543 B10R1.113 O=C(O)C1=CN=CC(I)=C1 AK-28811 [1,1,0,0,0,0|0,0,0]=2 544 B10R1.113 O=C(O)C1=CN=CC(O)=C1 AK-25698 [1,1,0,0,0,0|0,0,0]=2 545 B10R1.113 O=C(O)C1=NC=CC(Cl)=C1 AK-23768 [1,1,0,0,0,0|2,0,0]=4 546 B10R1.113 O=C(O)C1=NC=CC(I)=C1 AK-30405 [1,1,0,0,0,0|2,0,0]=4 547 B10R1.113 O=C1NN=CC(=C1)C(=O)O AK-26372 [1,1,0,0,0,0|1,0,0]=3 548 B10R1.113 OB(C1=CC(F)=CN=C1)O AK-36635 [1,1,0,0,0,0|1,0,1]=4 549 B10R1.113 OB(O)C1=CC(Cl)=CN=C1 AK-26378 [1,1,0,0,0,0|1,0,1]=4 550 B10R1.113 OC(=O)C1=CC(Cl)=NC=C1 AK-26209 [1,1,0,0,0,0|2,0,0]=4 551 B10R1.113 OC(=O)C1=CC(F)=NC=C1 AK-25930 [1,1,0,0,0,0|2,0,0]=4 552 B10R1.113 OC(=O)C1=NC(Br)=CC=C1 AK-25597 [1,1,0,0,0,0|2,0,0]=4 553 B10R1.113 OC1=CC([N+]([O-])=O)=CN=C1 AK-28936 [1,1,0,0,0,0|1,0,1]=4 554 B10R1.113 [N+](=O)([O-])C1=CN=CC(=C1)N AK-29617 [1,1,0,0,0,0|1,0,1]=4 555 B10R1.113 [O-][N+](=O)C1=CN=CC(F)=C1 AK100223 [1,1,0,0,0,0|1,0,1]=4 556 B10R1.1 CCOC1=CN=C(Br)C=C1 AK143369 [1,1,0,0,0,0|2,0,0]=4 557 B10R1.1 CCOC1=CN=C(Cl)C=C1 AK-88024 [1,1,0,0,0,0|2,0,0]=4 558 B10R1.1 NC1=CC=C(COC)C=C1 AK-78891 [1,1,0,0,0,0|1,0,1]=4 559 B10R1.1 NC1=NC=C(OCC)C=C1 AK-54494 [1,1,0,0,0,0|2,0,0]=4 560 B10R1.1 OC1=CC=C(COC)C=C1 AK-42631 [1,1,0,0,0,0|1,0,1]=4 561 B10R1.4 CCOC1=C(N)C=CN=C1 AK100670 [1,1,0,0,0,0|2,0,0]=4 562 B10R1.4 COCC1=NC=CN=C1Cl AK-52707 [1,1,0,0,0,0|1,0,1]=4 563 B10R1.4 OC1=CC=CC=C1COC AK151421 [1,1,0,0,0,0|1,0,1]=4 564 B10R1.10 CCOC1=CN=CC(N)=C1 AK100109 [1,1,0,0,0,0|2,0,0]=4 565 B10R1.10 CNCC1=CC(=CN=C1)Br AK-50635 [1,1,0,0,0,0|1,0,1]=4 566 B10R1.17 CNCCC1=CC=CN=C1 AK-33941 [1,1,0,0,0,0|1,0,1]=4 567 B10R1.17 NCCOC1=CC=CN=C1 AK108382 [1,1,0,0,0,0|2,0,0]=4 568 B10R1.17 OC\C=C\C1=CC=CN=C1 AK146726 [1,1,0,0,0,0|1,0,0]=3 569 B10R1.18 CC(OC1=CC=CN=C1)C AK167273 [1,1,0,0,0,0|2,0,0]=4 570 B10R1.18 C\C(C)=C/C1=CC=CC=C1 AK113914 [1,1,0,0,0,0|2,0,0]=4 571 B10R1.11 C1=C(C(=O)OCC)SC=N1 AK-29162 [0,1,0,0,1,0|1,0,0]=3 572 B10R1.11 C1=C([NH]C=N1)C(OCC)=O AK-25642 [0,1,0,0,1,0|1,0,0]=3 573 B10R1.11 C1=C[NH]C(=N1)C(OCC)=O AK-39974 [0,1,0,0,1,0|1,0,0]=3 574 B10R1.11 C1=N[NH]C=C1C(OCC)=O AK-27126 [0,1,0,0,1,0|1,0,0]=3 575 B10R1.11 CCOC(=O)C1=CC=CN1 AK-25609 [0,1,0,0,1,0|0,0,1]=3 576 B10R1.11 CCOC(=O)C1=CNC=C1 AK-41135 [0,1,0,0,1,0|0,0,1]=3 577 B10R1.11 O=C(C1=CC=NO1)OCC AK-68489 [0,1,0,0,1,0|1,0,0]=3 578 B10R1.11 O=C(C1=CN=NS1)OCC AK112966 [0,1,0,0,1,0|2,0,0]=4 579 B10R1.11 O=C(C1=CNN=N1)OCC AK-76943 [0,1,0,0,1,0|2,0,0]=4 580 B10R1.11 O=C(C1=COC=N1)OCC AK-28248 [0,1,0,0,1,0|1,0,0]=3 581 B10R1.11 O=C(C1=NC=CO1)OCC AK-68691 [0,1,0,0,1,0|1,0,0]=3 582 B10R1.11 O=C(C1=NNC=C1)OCC AK-45333 [0,1,0,0,1,0|1,0,0]=3 583 B10R1.14 C1=C(C(OC)=O)N=C(S1)N AK-15127 [0,1,0,0,1,0|1,0,0]=3 584 B10R1.14 C1=C(C(OC)=O)SC(=N1)Br AK-23911 [0,1,0,0,1,0|1,0,0]=3 585 B10R1.14 C1=C(C(OC)=O)SC(=N1)N AK-23910 [0,1,0,0,1,0|1,0,0]=3 586 B10R1.14 C1=C(N=C(S1)Br)C(=O)OC AK-21789 [0,1,0,0,1,0|1,0,0]=3 587 B10R1.14 C1=C(SC=C1N)C(OC)=O AK-36782 [0,1,0,0,1,0|1,0,0]=3 588 B10R1.14 COC(=O)C1=CC(=CO1)Br AK-39920 [0,1,0,0,1,0|1,0,0]=3 589 B10R1.14 COC(=O)C1=CC(Br)=CN1 AK-23914 [0,1,0,0,1,0|0,0,1]=3 590 B10R1.14 COC(=O)C1=CC(Br)=CS1 AK-55210 [0,1,0,0,1,0|1,0,0]=3 591 B10R1.14 COC(=O)C1=CC(C)=NO1 AK-99990 [0,1,0,0,1,0|1,0,0]=3 592 B10R1.14 COC(=O)C1=CC(NO1)=O AK-32642 [0,1,0,0,1,0|1,0,1]=4 593 B10R1.14 COC(=O)C1=CNC(Br)=C1 AK-63235 [0,1,0,0,1,0|0,0,1]=3 594 B10R1.14 COC(=O)C1=COC(C)=C1 AK-28257 [0,1,0,0,1,0|1,0,0]=3 595 B10R1.14 COC(=O)C1=NN=C(C)O1 AK-65307 [0,1,0,0,1,0|2,0,0]=4 596 B10R1.14 COC(=O)C1=NNC(Br)=C1 AK109827 [0,1,0,0,1,0|1,0,0]=3 597 B10R1.14 COC(=O)C1=NNC(C)=C1 AK-77018 [0,1,0,0,1,0|1,0,0]=3 598 B10R1.14 COC(=O)C1=N[N](C=N1)C AK-42049 [0,1,0,0,1,0|2,0,0]=4 599 B10R1.14 ClC1=NC=C(S1)C(=O)OC AK-65059 [0,1,0,0,1,0|1,0,0]=3 600 B10R1.14 NC1=CC(=N[NH]1)C(=O)OC AK-35933 [0,1,0,0,1,0|1,0,0]=3 601 B10R1.14 O=C(C1=CC=C(Br)N1)OC AK-47142 [0,1,0,0,1,0|0,0,1]=3 602 B10R1.14 O=C(C1=CC=C(Br)O1)OC AK-43914 [0,1,0,0,1,0|1,0,0]=3 603 B10R1.14 O=C(C1=CC=C(Br)S1)OC AK-40321 [0,1,0,0,1,0|1,0,0]=3 604 B10R1.14 O=C(C1=CC=C(C)O1)OC AK124407 [0,1,0,0,1,0|1,0,0]=3 605 B10R1.14 O=C(C1=CC=C(N)S1)OC AK-40138 [0,1,0,0,1,0|1,0,0]=3 606 B10R1.14 O=C(C1=CN(C)N=C1)OC AK-75955 [0,1,0,0,1,0|1,0,0]=3 607 B10R1.14 O=C(C1=CN=C(Br)O1)OC AK-75897 [0,1,0,0,1,0|1,0,0]=3 608 B10R1.14 O=C(C1=CN=C(C)O1)OC AK-26225 [0,1,0,0,1,0|1,0,0]=3 609 B10R1.14 O=C(C1=CN=C(Cl)O1)OC AK-77391 [0,1,0,0,1,0|1,0,0]=3 610 B10R1.14 O=C(C1=CN=C(N)S1)NC AK164189 [0,1,0,0,1,0|2,0,0]=4 611 B10R1.14 O=C(C1=COC(Br)=N1)OC AK-41107 [0,1,0,0,1,0|1,0,0]=3 612 B10R1.14 O=C(C1=COC(Cl)=N1)OC AK-36915 [0,1,0,0,1,0|1,0,0]=3 613 B10R1.14 O=C(C1=CSC(Br)=C1)OC AK138265 [0,1,0,0,1,0|1,0,0]=3 614 B10R1.14 O=C(C1=NC(Br)=CS1)OC AK146642 [0,1,0,0,1,0|1,0,0]=3 615 B10R1.14 O=C(C1=NC(C)=CS1)OC AK-68231 [0,1,0,0,1,0|1,0,0]=3 616 B10R1.14 O=C(C1=NC=C(C)S1)OC AK-76566 [0,1,0,0,1,0|1,0,0]=3 617 B10R1.14 O=C(C1=NNC(Br)=N1)OC AK-32278 [0,1,0,0,1,0|2,0,0]=4 618 B10R1.14 O=C(C1=NNC(N)=N1)OC AK-32277 [0,1,0,0,1,0|2,0,0]=4 619 B10R1.14 O=C(C1=NNC(O)=C1)OC AK-77271 [0,1,0,0,1,0|1,0,0]=3 620 B10R1.14 O=C(C1=NOC(C)=C1)NC AK686886 [0,1,0,0,1,0|2,0,0]=4 621 B10R1.149 BrC1=C(N=CS1)C(=O)OC AK-22046 [0,1,0,0,1,0|1,0,0]=3 622 B10R1.149 C1=CSC(=C1C(OC)=O)N AK-26003 [0,1,0,0,1,0|1,0,0]=3 623 B10R1.149 CC1=C(C=CS1)C(=O)OC AK-40494 [0,1,0,0,1,0|1,0,0]=3 624 B10R1.149 CC1=C(SC=N1)C(=O)OC AK-27820 [0,1,0,0,1,0|1,0,0]=3 625 B10R1.149 CC1=N[NH]C=C1C(=O)OC AK-31098 [0,1,0,0,1,0|1,0,0]=3 626 B10R1.149 COC(=O)C1=C(Br)SC=C1 AK-68215 [0,1,0,0,1,0|1,0,0]=3 627 B10R1.149 COC(=O)C1=C(C)C=CO1 AK-89345 [0,1,0,0,1,0|1,0,0]=3 628 B10R1.149 COC(=O)C1=C(Cl)C=CN1 AK109924 [0,1,0,0,1,0|0,0,1]=3 629 B10R1.149 COC(=O)C1=CSC=C1Br AK102742 [0,1,0,0,1,0|1,0,0]=3 630 B10R1.149 COC(=O)C1=NNC=C1I AK100557 [0,1,0,0,1,0|1,0,0]=3 631 B10R1.149 COC(=O)C1=NSN=C1Br AK-28803 [0,1,0,0,1,0|2,0,0]=4 632 B10R1.149 COC(C1=N[NH]C=C1Br)=O AK-39576 [0,1,0,0,1,0|1,0,0]=3 633 B10R1.149 NC1=C(OC=C1)C(=O)OC AK-28297 [0,1,0,0,1,0|1,0,0]=3 634 B10R1.149 O=C(C1=C(Br)C=CS1)OC AK-24670 [0,1,0,0,1,0|1,0,0]=3 635 B10R1.149 O=C(C1=C(C)C=CS1)OC AK-29549 [0,1,0,0,1,0|1,0,0]=3 636 B10R1.149 O=C(C1=C(Cl)N=CS1)OC AK501937 [0,1,0,0,1,0|1,0,0]=3 637 B10R1.149 O=C(C1=C(F)C=CS1)OC AK-40928 [0,1,0,0,1,0|1,0,0]=3 638 B10R1.149 O=C(C1=C(N)C=CS1)OC AK-26736 [0,1,0,0,1,0|1,0,0]=3 639 B10R1.149 O=C(C1=C(N)C=NN1)OC AK134904 [0,1,0,0,1,0|1,0,0]=3 640 B10R1.149 O=C(C1=C(N)N=CS1)OC AK-24209 [0,1,0,0,1,0|1,0,0]=3 641 B10R1.149 O=C(C1=C(O)C=CN1)OC AK123374 [0,1,0,0,1,0|0,0,1]=3 642 B10R1.149 O=C(C1=C(O)C=CS1)OC AK-41067 [0,1,0,0,1,0|1,0,0]=3 643 B10R1.149 O=C(C1=CC=NN1C)OC AK119024 [0,1,0,0,1,0|1,0,0]=3 644 B10R1.149 O=C(C1=CNC=C1C)OC AK126219 [0,1,0,0,1,0|0,0,1]=3 645 B10R1.149 O=C(C1=CNN=C1N)OC AK-40062 [0,1,0,0,1,0|1,0,0]=3 646 B10R1.149 O=C(C1=NC=CN1C)OC AK139738 [0,1,0,0,1,0|1,0,0]=3 647 B10R1.149 O=C(C1=NNC=C1N)OC AK-65279 [0,1,0,0,1,0|1,0,0]=3 648 B12R1.32 CCCC(CC1=CC=CC=C1)=O AK113874 [0,1,0,0,0,1|2,0,0]=4 649 B12R1.32 O=C(OCC)CC1=CC=CC=C1 AK116248 [0,1,0,0,0,1|1,0,0]=3 650 B12R1.32 O=C(OCC)CC1=CC=CN=C1 AK-81622 [0,1,0,0,0,1|0,0,0]=2 651 B12R1.32 O=C(OCC)C[N+]1=CC=CC=C1 AK-60276 [0,1,0,0,0,1|2,0,0]=4 652 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 AK-57823 [0,1,0,0,0,1|1,0,0]=3 653 B12R1.34 O=C(OC)C(C1=CC=CC=C1)=O AK-93755 [0,1,0,0,0,1|1,0,0]=3 654 B12R1.34 O=C(OC)C(O)C1=CC=CC=C1 AK110711 [0,1,0,0,0,1|1,0,0]=3 655 B12R1.34 O=C(OC)[C@@H](N)C1=CC=CC=C1 AK-49410 [0,1,0,0,0,1|1,0,0]=3 656 B12R1.34 O=C(OC)[C@@H](N)C1=CC=CC=C1 AK-64578 [0,1,0,0,0,1|1,0,0]=3 657 B12R1.34 O=C(OC)[C@H](N)C1=CC=CC=C1 AK-47584 [0,1,0,0,0,1|1,0,0]=3 658 B12R1.34 O[C@@H](C1=CC=CC=C1)C(OC)=O AK-46674 [0,1,0,0,0,1|1,0,0]=3 659 B12R1.34 O[C@H](C1=CC=CC=C1)C(OC)=O AK-46628 [0,1,0,0,0,1|1,0,0]=3 660 B12R1.49 C1=C(CC(OC)=O)C=CC(=C1)Br AK-25954 [0,1,0,0,0,1|1,0,0]=3 661 B12R1.49 C1=C(CC(OC)=O)C=CC(=C1)O AK-46608 [0,1,0,0,0,1|1,0,0]=3 662 B12R1.49 O=C(OC)CC1=CC=C(Cl)C=C1 AK-46979 [0,1,0,0,0,1|1,0,0]=3 663 B12R1.49 O=C(OC)CC1=CC=C(Cl)N=C1 AK137274 [0,1,0,0,0,1|0,0,0]=2 664 B12R1.49 O=C(OC)CC1=CC=C(F)C=C1 AK117500 [0,1,0,0,0,1|1,0,0]=3 665 B12R1.49 O=C(OC)CC1=NC=C(Br)C=C1 AK144847 [0,1,0,0,0,1|2,0,0]=4 666 B12R1.50 O=C(OC)CC1=CC=CC(Br)=C1 AK-33399 [0,1,0,0,0,1|1,0,0]=3 667 B12R1.50 O=C(OC)CC1=CC=CC(F)=C1 AK161785 [0,1,0,0,0,1|1,0,0]=3 668 B12R1.50 O=C(OC)CC1=CC=CC(N)=C1 AK-35502 [0,1,0,0,0,1|1,0,0]=3 669 B12R1.50 O=C(OC)CC1=CC=CC(N)=C1 AK-86789 [0,1,0,0,0,1|1,0,0]=3 670 B12R1.50 O=C(OC)CC1=NC(Cl)=CC=C1 AK-63367 [0,1,0,0,0,1|2,0,0]=4 671 B12R1.371 COC(=O)CC1=C(N)C=CC=C1 AK-39324 [0,1,0,0,0,1|1,0,0]=3 672 B12R1.371 COC(=O)CC1=C(O)C=CC=C1 AK-76378 [0,1,0,0,0,1|1,0,0]=3 673 B12R1.371 O=C(OC)CC1=CC=CC=C1Br AK114701 [0,1,0,0,0,1|1,0,0]=3 674 B12R1.371 O=C(OC)CC1=CC=CC=C1Cl AK-40007 [0,1,0,0,0,1|1,0,0]=3 675 B12R1.371 O=C(OC)CC1=CC=CC=C1N AK133070 [0,1,0,0,0,1|1,0,0]=3 676 B12R1.9 CC1=CC=C(S(=O)(OC)=O)C=C1 AK-48103 [0,2,0,0,0,0|2,0,0]=4 677 B12R1.39 O=S(C1=CC=CC=C1)(OCC)=O AK129066 [0,2,0,0,0,0|2,0,0]=4 678 B12R1.475 O=P(C1=CC=CC=C1)(OC)OC AK112224 [0,2,0,0,0,0|2,0,0]=4 679 B12R1.16 BrC1=CN=C(C=N1)C(=O)OCC AK-24838 [0,2,0,0,0,0|1,0,0]=3 680 B12R1.16 C(C)OC(=O)C1=NC=C(C=C1)Br AK-26326 [0,2,0,0,0,0|2,0,0]=4 681 B12R1.16 C(C)OC(C1=CN=C(C=C1)Br)=O AK-25676 [0,2,0,0,0,0|0,0,0]=2 682 B12R1.16 C(OC(=O)C1=CNC(=O)C=C1)C AK-25535 [0,2,0,0,0,0|0,0,1]=3 683 B12R1.16 C1=C(C(OCC)=O)C=CC(=C1)Br AK-47339 [0,2,0,0,0,0|1,0,0]=3 684 B12R1.16 C1=CC(=CC=C1C(OCC)=O)F AK-46539 [0,2,0,0,0,0|1,0,0]=3 685 B12R1.16 CCCC(C1=CC=C(F)C=C1)=O AK324839 [0,2,0,0,0,0|2,0,0]=4 686 B12R1.16 CCCC(C1=CC=C(O)C=C1)=O AK114518 [0,2,0,0,0,0|2,0,0]=4 687 B12R1.16 CCOC(=O)C1=CC=C(C)N=C1 AK-47039 [0,2,0,0,0,0|0,0,0]=2 688 B12R1.16 CCOC(=O)C1=CN=C(Cl)C=C1 AK-29299 [0,2,0,0,0,0|0,0,0]=2 689 B12R1.16 CCOC(=O)C1=CNC(=O)N=C1 AK-48753 [0,2,0,0,0,0|1,0,0]=3 690 B12R1.16 COCC(C1=CC=C(O)C=C1)=O AK144287 [0,2,0,0,0,0|1,0,0]=3 691 B12R1.16 ClC1=NC=C(C=N1)C(=O)OCC AK-32391 [0,2,0,0,0,0|1,0,0]=3 692 B12R1.16 ClCCC(=O)C1=CC=C(Br)C=C1 AK-48143 [0,2,0,0,0,0|2,0,0]=4 693 B12R1.16 NC1=CN=C(C=N1)C(=O)OCC AK-24065 [0,2,0,0,0,0|1,0,0]=3 694 B12R1.16 O=C(C1=CN=C(C)N=C1)OCC AK-47037 [0,2,0,0,0,0|1,0,0]=3 695 B12R1.16 O=C(C1=CN=C(N)N=C1)OCC AK-50608 [0,2,0,0,0,0|1,0,0]=3 696 B12R1.16 O=C(C1=NC=C(C)N=C1)OCC AK-68294 [0,2,0,0,0,0|1,0,0]=3 697 B12R1.16 O=C(C1=NC=C(Cl)N=C1)OCC AK104858 [0,2,0,0,0,0|1,0,0]=3 698 B12R1.16 O=C(OCC)C1=CC=C(Cl)C=C1 AK109118 [0,2,0,0,0,0|1,0,0]=3 699 B12R1.16 O=C(OCC)C1=CC=C(I)C=C1 AK-43962 [0,2,0,0,0,0|1,0,0]=3 700 B12R1.16 O=C(OCC)C1=CC=C(N)C=C1 AK-46733 [0,2,0,0,0,0|1,0,0]=3 701 B12R1.16 O=C(OCC)C1=CC=C(O)C=C1 AK-49315 [0,2,0,0,0,0|1,0,0]=3 702 B12R1.16 O=C(OCC)C1=CN=C(N)C=C1 AK-32375 [0,2,0,0,0,0|0,0,0]=2 703 B12R1.16 O=C(OCC)C1=NC=C(C)C=C1 AK-68218 [0,2,0,0,0,0|2,0,0]=4 704 B12R1.16 O=C(OCC)C1=NC=C(N)C=C1 AK112557 [0,2,0,0,0,0|2,0,0]=4 705 B12R1.17 BrC1=CC=CC(=N1)C(=O)OCC AK-25598 [0,2,0,0,0,0|2,0,0]=4 706 B12R1.17 C1=C(C(OCC)=O)C=NC=C1Br AK-25588 [0,2,0,0,0,0|0,0,0]=2 707 B12R1.17 C1=C(C=CC=C1C(OCC)=O)I AK-73125 [0,2,0,0,0,0|1,0,0]=3 708 B12R1.17 CCOC(=O)C1=CC(=O)C=CO1 AK-84626 [0,2,0,0,0,0|2,0,0]=4 709 B12R1.17 CCOC(=O)C1=CC(Br)=NC=C1 AK-29726 [0,2,0,0,0,0|2,0,0]=4 710 B12R1.17 CCOC(=O)C1=CN=CC(Cl)=N1 AK104857 [0,2,0,0,0,0|1,0,0]=3 711 B12R1.17 ClC1=NC=CC(=C1)C(=O)OCC AK-29371 [0,2,0,0,0,0|2,0,0]=4 712 B12R1.17 O=C(C1=CC(Cl)=NN=C1)OCC AK-39549 [0,2,0,0,0,0|1,0,0]=3 713 B12R1.17 O=C(OCC)C1=CC=CC(Cl)=C1 AK-51253 [0,2,0,0,0,0|1,0,0]=3 714 B12R1.17 O=C(OCC)C1=CC=CC(N)=C1 AK103327 [0,2,0,0,0,0|1,0,0]=3 715 B12R1.17 O=C(OCC)C1=CC=CC(O)=C1 AK-76827 [0,2,0,0,0,0|1,0,0]=3 716 B12R1.17 O=C(OCC)C1=CC=NC(N)=C1 AK-33137 [0,2,0,0,0,0|2,0,0]=4 717 B12R1.17 O=C(OCC)C1=CN=CC(C)=C1 AK-39650 [0,2,0,0,0,0|0,0,0]=2 718 B12R1.17 O=C(OCC)C1=CN=CC(O)=C1 AK-38038 [0,2,0,0,0,0|0,0,0]=2 719 B12R1.17 O=C(OCC)C1=NC(Cl)=CC=C1 AK-76189 [0,2,0,0,0,0|2,0,0]=4 720 B12R1.17 O=C(OCC)C1=NC(N)=CC=C1 AK-41615 [0,2,0,0,0,0|2,0,0]=4 721 B12R1.17 O=C(OCC)C1=NC=CC(Br)=C1 AK-28555 [0,2,0,0,0,0|2,0,0]=4 722 B12R1.17 O=C(OCC)C1=NC=CC(Cl)=C1 AK121835 [0,2,0,0,0,0|2,0,0]=4 723 B12R1.17 O=C(OCC)C1=NC=CC(N)=C1 AK133247 [0,2,0,0,0,0|2,0,0]=4 724 B12R1.30 C1=CC=NC=C1C(NCCO)=O AK-39366 [0,2,0,0,0,0|1,0,0]=3 725 B12R1.30 CNCCC(C1=CC=CC=C1)=O AK400477 [0,2,0,0,0,0|2,0,0]=4 726 B12R1.30 O=C(OCCC)C1=CC=CC=C1 AK-93452 [0,2,0,0,0,0|1,0,0]=3 727 B12R1.107 CC(CC(C1=CC=CC=C1)=O)=O AK161752 [0,2,0,0,0,0|2,0,0]=4 728 B12R1.308 C(C)OC(C1=CN=CC=C1Cl)=O AK-29976 [0,2,0,0,0,0|0,0,0]=2 729 B12R1.308 C(OC(=O)C1=CN=CNC1=O)C AK-24103 [0,2,0,0,0,0|1,0,0]=3 730 B12R1.308 C1=CC=CC(=C1C(OCC)=O)F AK-46540 [0,2,0,0,0,0|1,0,0]=3 731 B12R1.308 C1=CC=NC(=C1C(OCC)=O)Cl AK-39200 [0,2,0,0,0,0|0,0,0]=2 732 B12R1.308 CCOC(=O)C1=C(C)N=CN=C1 AK-82588 [0,2,0,0,0,0|1,0,0]=3 733 B12R1.308 CCOC(=O)C1=CC=CN=C1Br AK-35509 [0,2,0,0,0,0|0,0,0]=2 734 B12R1.308 CCOC(=O)C1=CC=CN=C1C AK-25491 [0,2,0,0,0,0|0,0,0]=2 735 B12R1.308 ClC1=NC=NC=C1C(=O)OCC AK-24102 [0,2,0,0,0,0|1,0,0]=3 736 B12R1.308 NC1=C(C(=O)OCC)C=CC=N1 AK-23890 [0,2,0,0,0,0|0,0,0]=2 737 B12R1.308 NC1=C(C=CN=C1)C(=O)OCC AK-21982 [0,2,0,0,0,0|2,0,0]=4 738 B12R1.308 O=C(C1=CN=CN=C1N)OCC AK-30805 [0,2,0,0,0,0|1,0,0]=3 739 B12R1.308 O=C(C1=NC=CN=C1Cl)OCC AK-26615 [0,2,0,0,0,0|1,0,0]=3 740 B12R1.308 O=C(OCC)C1=CC=CC=C1Cl AK117233 [0,2,0,0,0,0|1,0,0]=3 741 B12R1.308 O=C(OCC)C1=CC=CC=C1I AK-94262 [0,2,0,0,0,0|1,0,0]=3 742 B12R1.308 O=C(OCC)C1=CC=CC=C1O AK114211 [0,2,0,0,0,0|1,0,0]=3 743 B12R1.308 O=C(OCC)C1=CC=NC=C1Cl AK167712 [0,2,0,0,0,0|2,0,0]=4 744 B12R1.308 O=C(OCC)C1=NC=CC=C1Br AK128513 [0,2,0,0,0,0|2,0,0]=4 745 B12R1.308 O=C(OCC)C1=NC=CC=C1N AK-76176 [0,2,0,0,0,0|2,0,0]=4 746 B12R1.308 O=C(OCC)C1=NC=CC=C1O AK126269 [0,2,0,0,0,0|2,0,0]=4 747 B12R1.5 C(=O)C1=NC=C(C(=O)OC)C=C1 AK-30222 [0,2,0,0,0,0|0,0,0]=2 748 B12R1.5 C1=C(C(OC)=O)C=CC(=C1)C=O AK-30551 [0,2,0,0,0,0|1,0,0]=3 749 B12R1.5 C1=CC(=CC=C1C(OC)=O)C#N AK-46102 [0,2,0,0,0,0|1,0,0]=3 750 B12R1.5 C1=CC(=CC=C1OC)C(OC)=O AK-46595 [0,2,0,0,0,0|1,0,0]=3 751 B12R1.5 CCC(C1=CC=C(CC)C=C1)=O AK-94191 [0,2,0,0,0,0|2,0,0]=4 752 B12R1.5 COC(=O)C1=CC=C(CCl)C=C1 AK-46926 [0,2,0,0,0,0|1,0,0]=3 753 B12R1.5 COC(=O)C1=CN=C(C=O)C=N1 AK-89118 [0,2,0,0,0,0|1,0,0]=3 754 B12R1.5 COC(=O)C1=CN=C(CBr)C=C1 AK-49350 [0,2,0,0,0,0|0,0,0]=2 755 B12R1.5 COC(=O)C1=NC=C(N=C1)CBr AK-39552 [0,2,0,0,0,0|1,0,0]=3 756 B12R1.5 COC(C1=CN=C(C=C1)CO)=O AK-23866 [0,2,0,0,0,0|0,0,0]=2 757 B12R1.5 O=C(NC)C1=CC=C(OC)C=C1 AK120611 [0,2,0,0,0,0|2,0,0]=4 758 B12R1.5 O=C(OC)C1=CC=C(C#C)C=C1 AK-88481 [0,2,0,0,0,0|1,0,0]=3 759 B12R1.5 O=C(OC)C1=CC=C(CN)C=C1 AK-46915 [0,2,0,0,0,0|1,0,0]=3 760 B12R1.5 O=C(OC)C1=CC=C(NN)C=C1 AK165897 [0,2,0,0,0,0|1,0,0]=3 761 B12R1.5 O=C(OC)C1=CN=C(C#C)C=C1 AK151766 [0,2,0,0,0,0|0,0,0]=2 762 B12R1.5 O=C(OC)C1=CN=C(OC)C=C1 AK-29959 [0,2,0,0,0,0|0,0,0]=2 763 B12R1.5 O=C(OC)C1=NC=C(CBr)C=C1 AK153186 [0,2,0,0,0,0|2,0,0]=4 764 B12R1.20 CC(C)C(C1=CC=C(Br)C=C1)=O AK106568 [0,2,0,0,0,0|2,0,0]=4 765 B12R1.20 CC(C)C(C1=CC=C(Cl)C=C1)=O AK163961 [0,2,0,0,0,0|2,0,0]=4 766 B12R1.20 O=C(N(C)C)C1=CN=C(Cl)C=C1 AK111806 [0,2,0,0,0,0|1,0,0]=3 767 B12R1.367 BrC1=C(C=C(C(=O)OC)C=C1)O AK-46937 [0,2,0,0,0,0|1,0,0]=3 768 B12R1.367 C1=C(C(=CC=C1C(OC)=O)C)N AK-47538 [0,2,0,0,0,0|1,0,0]=3 769 B12R1.367 C1=C(C(=O)OC)C=NC(=C1Br)Cl AK-23917 [0,2,0,0,0,0|0,0,0]=2 770 B12R1.367 C1=C(C(OC)=O)C=CC(=C1N)N AK-49131 [0,2,0,0,0,0|1,0,0]=3 771 B12R1.367 C1=C(C=CC(=C1Br)C)C(OC)=O AK-47512 [0,2,0,0,0,0|1,0,0]=3 772 B12R1.367 C1=C(C=CC(=C1C)Br)C(OC)=O AK-32180 [0,2,0,0,0,0|1,0,0]=3 773 B12R1.367 CCC(C1=CC=C(C)C(C)=C1)=O AK-63917 [0,2,0,0,0,0|2,0,0]=4 774 B12R1.367 CCC(C1=CC=C(F)C(F)=C1)=O AK115109 [0,2,0,0,0,0|2,0,0]=4 775 B12R1.367 COC(=O)C1=CC(Br)=C(F)C=C1 AK-81963 [0,2,0,0,0,0|1,0,0]=3 776 B12R1.367 COC(=O)C1=CC(Br)=C(I)C=C1 AK-80259 [0,2,0,0,0,0|1,0,0]=3 777 B12R1.367 COC(=O)C1=CC(Br)=C(N)C=C1 AK-32787 [0,2,0,0,0,0|1,0,0]=3 778 B12R1.367 COC(=O)C1=CC(C)=C(I)C=C1 AK-26110 [0,2,0,0,0,0|1,0,0]=3 779 B12R1.367 COC(=O)C1=CC(Cl)=C(N)C=C1 AK-86922 [0,2,0,0,0,0|1,0,0]=3 780 B12R1.367 COC(=O)C1=CC(I)=C(N)C=C1 AK-61655 [0,2,0,0,0,0|1,0,0]=3 781 B12R1.367 COC(=O)C1=CC(O)=C(Cl)C=C1 AK-76886 [0,2,0,0,0,0|1,0,0]=3 782 B12R1.367 COC(=O)C1=CN=C(Cl)C(C)=N1 AK-89438 [0,2,0,0,0,0|1,0,0]=3 783 B12R1.367 COC(=O)C1=COC(=O)C(Br)=C1 AK111325 [0,2,0,0,0,0|1,0,0]=3 784 B12R1.367 COC(C1=CC(=C(C=C1)Cl)F)=O AK-39900 [0,2,0,0,0,0|1,0,0]=3 785 B12R1.367 ClC1=C(C=CC(=C1)C(=O)OC)F AK-72962 [0,2,0,0,0,0|1,0,0]=3 786 B12R1.367 FC1=C(C=C(C(=O)OC)C=C1)C AK-46648 [0,2,0,0,0,0|1,0,0]=3 787 B12R1.367 NC1=C(C=CC(=C1)C(=O)OC)Br AK-35256 [0,2,0,0,0,0|1,0,0]=3 788 B12R1.367 NC1=C(C=CC(=C1)C(=O)OC)F AK-40058 [0,2,0,0,0,0|1,0,0]=3 789 B12R1.367 O=C(C1=CC=C(Br)C(N1)=O)OC AK100454 [0,2,0,0,0,0|2,0,0]=4 790 B12R1.367 O=C(OC)C1=CC=C(Br)C(F)=C1 AK-44121 [0,2,0,0,0,0|1,0,0]=3 791 B12R1.367 O=C(OC)C1=CC=C(C)C(F)=C1 AK-39787 [0,2,0,0,0,0|1,0,0]=3 792 B12R1.367 O=C(OC)C1=CC=C(Cl)C(C)=C1 AK117510 [0,2,0,0,0,0|1,0,0]=3 793 B12R1.367 O=C(OC)C1=CC=C(Cl)C(N)=C1 AK115355 [0,2,0,0,0,0|1,0,0]=3 794 B12R1.367 O=C(OC)C1=CC=C(I)C(N)=C1 AK-61810 [0,2,0,0,0,0|1,0,0]=3 795 B12R1.367 O=C(OC)C1=CC=C(I)C(O)=C1 AK-31800 [0,2,0,0,0,0|1,0,0]=3 796 B12R1.367 O=C(OC)C1=CC=C(N)C(C)=C1 AK-41505 [0,2,0,0,0,0|1,0,0]=3 797 B12R1.367 O=C(OC)C1=CC=C(N)C(F)=C1 AK-53872 [0,2,0,0,0,0|1,0,0]=3 798 B12R1.367 O=C(OC)C1=CC=C(N)C(O)=C1 AK-45500 [0,2,0,0,0,0|1,0,0]=3 799 B12R1.367 O=C(OC)C1=CC=C(O)C(Br)=C1 AK-68225 [0,2,0,0,0,0|1,0,0]=3 800 B12R1.367 O=C(OC)C1=CC=C(O)C(C)=C1 AK-78928 [0,2,0,0,0,0|1,0,0]=3 801 B12R1.367 O=C(OC)C1=CC=C(O)C(Cl)=C1 AK-82339 [0,2,0,0,0,0|1,0,0]=3 802 B12R1.367 O=C(OC)C1=CC=C(O)C(F)=C1 AK-79057 [0,2,0,0,0,0|1,0,0]=3 803 B12R1.367 O=C(OC)C1=CC=C(O)C(I)=C1 AK-47890 [0,2,0,0,0,0|1,0,0]=3 804 B12R1.367 O=C(OC)C1=CC=C(O)C(N)=C1 AK-76584 [0,2,0,0,0,0|1,0,0]=3 805 B12R1.367 O=C(OC)C1=CC=C(O)C(O)=C1 AK-73115 [0,2,0,0,0,0|1,0,0]=3 806 B12R1.367 O=C(OC)C1=CN=C(Br)C(C)=C1 AK-29742 [0,2,0,0,0,0|0,0,0]=2 807 B12R1.367 O=C(OC)C1=CN=C(Cl)C(Cl)=C1 AK123985 [0,2,0,0,0,0|0,0,0]=2 808 B12R1.367 O=C(OC)C1=CN=C(N)C(Br)=C1 AK-25058 [0,2,0,0,0,0|0,0,0]=2 809 B12R1.367 O=C(OC)C1=NC(Br)=C(N)C=C1 AK339630 [0,2,0,0,0,0|2,0,0]=4 810 B12R1.367 O=C(OC)C1=NC(C)=C(F)C=C1 AK-82789 [0,2,0,0,0,0|2,0,0]=4 811 B12R1.367 O=C(OC)C1=NC(Cl)=C(Br)C=C1 AK100450 [0,2,0,0,0,0|2,0,0]=4 812 B12R1.367 O=C(OC)C1=NC(Cl)=C(C)C=C1 AK-88627 [0,2,0,0,0,0|2,0,0]=4 813 B12R1.367 O=C(OC)C1=NC(N)=C(Br)C=C1 AK-51186 [0,2,0,0,0,0|2,0,0]=4 814 B12R1.367 O=C(OC)C1=NC(O)=C(O)C=C1 AK-26588 [0,2,0,0,0,0|2,0,0]=4 815 B12R1.367 O=C(OC)C1=NC=C(Br)C(C)=C1 AK-36736 [0,2,0,0,0,0|2,0,0]=4 816 B12R1.367 O=C(OC)C1=NC=C(C)C(Cl)=C1 AK-88624 [0,2,0,0,0,0|2,0,0]=4 817 B12R1.367 O=C(OC)C1=NC=C(N)C(N)=C1 AK-82285 [0,2,0,0,0,0|2,0,0]=4 818 B12R1.1703 BrC1=C(C(=O)OC)C=CC(=C1)C AK-46754 [0,2,0,0,0,0|1,0,0]=3 819 B12R1.1703 BrC1=CC(=C(C(=O)OC)C=C1)C AK-28097 [0,2,0,0,0,0|1,0,0]=3 820 B12R1.1703 BrC1=NC(=CN=C1C(=O)OC)Br AK-30888 [0,2,0,0,0,0|1,0,0]=3 821 B12R1.1703 C1=C(C(=CC(=C1)F)Cl)C(OC)=O AK-47401 [0,2,0,0,0,0|1,0,0]=3 822 B12R1.1703 C1=C(C(=CC(=C1)O)O)C(OC)=O AK-50554 [0,2,0,0,0,0|1,0,0]=3 823 B12R1.1703 C1=CC(=CC(=C1C(OC)=O)O)N AK-45502 [0,2,0,0,0,0|1,0,0]=3 824 B12R1.1703 COC(=O)C1=C(Br)C=C(F)C=C1 AK-46746 [0,2,0,0,0,0|1,0,0]=3 825 B12R1.1703 COC(=O)C1=C(C)C=C(I)C=C1 AK-77363 [0,2,0,0,0,0|1,0,0]=3 826 B12R1.1703 COC(=O)C1=C(F)C=C(Br)C=C1 AK-46835 [0,2,0,0,0,0|1,0,0]=3 827 B12R1.1703 COC(=O)C1=C(N)C=C(I)C=C1 AK-37605 [0,2,0,0,0,0|1,0,0]=3 828 B12R1.1703 COC(=O)C1=C(O)C=C(C)C=C1 AK-82342 [0,2,0,0,0,0|1,0,0]=3 829 B12R1.1703 COC(=O)C1=CC=C(C)C=C1N AK-61296 [0,2,0,0,0,0|1,0,0]=3 830 B12R1.1703 COC(=O)C1=CC=C(O)C=C1Cl AK-32726 [0,2,0,0,0,0|1,0,0]=3 831 B12R1.1703 COC(=O)C1=NC=C(C=C1C)Br AK-25600 [0,2,0,0,0,0|2,0,0]=4 832 B12R1.1703 COC(C1=C(C=C(C=C1)N)F)=O AK-75833 [0,2,0,0,0,0|1,0,0]=3 833 B12R1.1703 ClC1=C(N=NC(=C1)Cl)C(=O)OC AK-34901 [0,2,0,0,0,0|1,0,0]=3 834 B12R1.1703 ClC1=CC(=NC=C1C(=O)OC)Cl AK-23913 [0,2,0,0,0,0|0,0,0]=2 835 B12R1.1703 FC1=C(C(=O)OC)C=CC(=C1)O AK-41478 [0,2,0,0,0,0|1,0,0]=3 836 B12R1.1703 FC1=CC(=C(C(=O)OC)C=C1)O AK-49085 [0,2,0,0,0,0|1,0,0]=3 837 B12R1.1703 NC1=CC(=C(C(=O)OC)C=C1)C AK-46101 [0,2,0,0,0,0|1,0,0]=3 838 B12R1.1703 NC1=CC(=C(C(=O)OC)C=C1)Cl AK-40022 [0,2,0,0,0,0|1,0,0]=3 839 B12R1.1703 NC1=NC(=NC=C1C(=O)OC)Cl AK-39620 [0,2,0,0,0,0|1,0,0]=3 840 B12R1.1703 O=C(C1=CN=C(Cl)N=C1Cl)OC AK-25104 [0,2,0,0,0,0|1,0,0]=3 841 B12R1.1703 O=C(C1=CNC(NC1=O)=O)OC AK123201 [0,2,0,0,0,0|1,0,1]=4 842 B12R1.1703 O=C(C1=NC=C(Cl)N=C1Cl)OC AK-30887 [0,2,0,0,0,0|1,0,0]=3 843 B12R1.1703 O=C(C1=NN=C(O)C=C1O)OC AK-51407 [0,2,0,0,0,0|1,0,0]=3 844 B12R1.1703 O=C(NC)C1=CC=C(Br)C=C1F AK-98185 [0,2,0,0,0,0|2,0,0]=4 845 B12R1.1703 O=C(NC)C1=CC=C(N)C=C1F AK135551 [0,2,0,0,0,0|2,0,0]=4 846 B12R1.1703 O=C(OC)C1=C(C)N=C(F)C=C1 AK198785 [0,2,0,0,0,0|0,0,0]=2 847 B12R1.1703 O=C(OC)C1=C(Cl)N=C(C)C=C1 AK-28460 [0,2,0,0,0,0|0,0,0]=2 848 B12R1.1703 O=C(OC)C1=C(Cl)N=C(Cl)C=C1 AK-82618 [0,2,0,0,0,0|0,0,0]=2 849 B12R1.1703 O=C(OC)C1=CC=C(Br)C=C1Cl AK107560 [0,2,0,0,0,0|1,0,0]=3 850 B12R1.1703 O=C(OC)C1=CC=C(Br)C=C1N AK-53857 [0,2,0,0,0,0|1,0,0]=3 851 B12R1.1703 O=C(OC)C1=CC=C(Br)C=C1O AK-88441 [0,2,0,0,0,0|1,0,0]=3 852 B12R1.1703 O=C(OC)C1=CC=C(C)C=C1C AK140642 [0,2,0,0,0,0|1,0,0]=3 853 B12R1.1703 O=C(OC)C1=CC=C(Cl)C=C1Br AK-64354 [0,2,0,0,0,0|1,0,0]=3 854 B12R1.1703 O=C(OC)C1=CC=C(Cl)C=C1I AK201245 [0,2,0,0,0,0|1,0,0]=3 855 B12R1.1703 O=C(OC)C1=CC=C(Cl)C=C1N AK-72924 [0,2,0,0,0,0|1,0,0]=3 856 B12R1.1703 O=C(OC)C1=CC=C(Cl)C=C1O AK-46989 [0,2,0,0,0,0|1,0,0]=3 857 B12R1.1703 O=C(OC)C1=CC=C(F)C=C1C AK-63369 [0,2,0,0,0,0|1,0,0]=3 858 B12R1.1703 O=C(OC)C1=CC=C(F)C=C1F AK-39185 [0,2,0,0,0,0|1,0,0]=3 859 B12R1.1703 O=C(OC)C1=CC=C(I)C=C1F AK174064 [0,2,0,0,0,0|1,0,0]=3 860 B12R1.1703 O=C(OC)C1=CC=C(I)C=C1O AK144550 [0,2,0,0,0,0|1,0,0]=3 861 B12R1.1703 O=C(OC)C1=CN=C(Br)C=C1Cl AK157951 [0,2,0,0,0,0|0,0,0]=2 862 B12R1.1703 O=C(OC)C1=CN=C(C)C=C1N AK321488 [0,2,0,0,0,0|0,0,0]=2 863 B12R1.1703 O=C(OC)C1=CN=C(N)C=C1Cl AK543110 [0,2,0,0,0,0|0,0,0]=2 864 B12R1.1703 O=C(OC)C1=CN=C(O)C=C1O AK-65278 [0,2,0,0,0,0|0,0,0]=2 865 B12R1.1703 O=C(OC)C1=NC=C(Br)C=C1Cl AK128538 [0,2,0,0,0,0|2,0,0]=4 866 B12R1.1703 O=C(OC)C1=NC=C(F)C=C1C AK146488 [0,2,0,0,0,0|2,0,0]=4 867 B12R1.24 BrC1=C(C(=O)OC)C=CC=C1C AK-26780 [0,2,0,0,0,0|1,0,0]=3 868 B12R1.24 C1=C(C(=C(C=C1)C)N)C(OC)=O AK-32253 [0,2,0,0,0,0|1,0,0]=3 869 B12R1.24 C1=C(C(=C(Cl)C=C1)O)C(=O)OC AK-40718 [0,2,0,0,0,0|1,0,0]=3 870 B12R1.24 COC(=O)C1=C(C)C(Br)=CC=C1 AK-40045 [0,2,0,0,0,0|1,0,0]=3 871 B12R1.24 COC(=O)C1=CC=CC(Br)=C1F AK-54792 [0,2,0,0,0,0|1,0,0]=3 872 B12R1.24 COC(C1=C(C(=CC=C1)Cl)N)=O AK-72996 [0,2,0,0,0,0|1,0,0]=3 873 B12R1.24 COC(C1=C(C(=CC=C1)N)N)=O AK-46703 [0,2,0,0,0,0|1,0,0]=3 874 B12R1.24 COC(C1=C(C(=NC=C1)Cl)F)=O AK-35915 [0,2,0,0,0,0|2,0,0]=4 875 B12R1.24 NC1=C(C(=O)OC)C=CC=C1F AK-73081 [0,2,0,0,0,0|1,0,0]=3 876 B12R1.24 O=C(C1=CC=CC(N1C)=O)OC AK130484 [0,2,0,0,0,0|2,0,0]=4 877 B12R1.24 O=C(OC)C1=CC=CC(Br)=C1Cl AK145354 [0,2,0,0,0,0|1,0,0]=3 878 B12R1.24 O=C(OC)C1=CC=CC(Br)=C1N AK-50612 [0,2,0,0,0,0|1,0,0]=3 879 B12R1.24 O=C(OC)C1=CC=CC(Br)=C1O AK136127 [0,2,0,0,0,0|1,0,0]=3 880 B12R1.24 O=C(OC)C1=CC=CC(C)=C1C AK136365 [0,2,0,0,0,0|1,0,0]=3 881 B12R1.24 O=C(OC)C1=CC=CC(C)=C1F AK-86744 [0,2,0,0,0,0|1,0,0]=3 882 B12R1.24 O=C(OC)C1=CC=CC(Cl)=C1Cl AK115924 [0,2,0,0,0,0|1,0,0]=3 883 B12R1.24 O=C(OC)C1=CC=CC(F)=C1O AK116128 [0,2,0,0,0,0|1,0,0]=3 884 B12R1.24 O=C(OC)C1=CC=CC(I)=C1C AK-94556 [0,2,0,0,0,0|1,0,0]=3 885 B12R1.24 O=C(OC)C1=CC=CC(N)=C1Br AK-32786 [0,2,0,0,0,0|1,0,0]=3 886 B12R1.24 O=C(OC)C1=CC=CC(N)=C1C AK-61635 [0,2,0,0,0,0|1,0,0]=3 887 B12R1.24 O=C(OC)C1=CC=CC(N)=C1Cl AK141780 [0,2,0,0,0,0|1,0,0]=3 888 B12R1.24 O=C(OC)C1=CC=CC(O)=C1N AK-59663 [0,2,0,0,0,0|1,0,0]=3 889 B12R1.24 O=C(OC)C1=CC=NC(Cl)=C1C AK-82326 [0,2,0,0,0,0|2,0,0]=4 890 B12R1.24 O=C(OC)C1=CC=NC(Cl)=C1Cl AK114429 [0,2,0,0,0,0|2,0,0]=4 891 B12R1.24 O=C(OC)C1=CC=NC(Cl)=C1N AK-28890 [0,2,0,0,0,0|2,0,0]=4 892 B12R1.24 O=C(OC)C1=CC=NC(F)=C1F AK-53681 [0,2,0,0,0,0|2,0,0]=4 893 B12R1.24 O=C(OC)C1=CN=CC(Br)=C1O AK137339 [0,2,0,0,0,0|0,0,0]=2 894 B12R1.24 O=C(OC)C1=NC=CC(Cl)=C1C AK-32423 [0,2,0,0,0,0|2,0,0]=4 895 B12R1.24 O=C(OC)C1=NC=CC(Cl)=C1F AK100169 [0,2,0,0,0,0|2,0,0]=4 896 B12R1.225 CC(C)C(C1=CC=CC(Br)=C1)=O AK105989 [0,2,0,0,0,0|2,0,0]=4 897 B12R1.354 BrC1=CC(=C(N=C1)F)C(=O)OC AK-26871 [0,2,0,0,0,0|0,0,0]=2 898 B12R1.354 C1=C(Br)N=C(C(=N1)N)C(=O)OC AK-21913 [0,2,0,0,0,0|1,0,0]=3 899 B12R1.354 C1=C(C(=CC=C1Br)C)C(=O)OC AK-72499 [0,2,0,0,0,0|1,0,0]=3 900 B12R1.354 C1=C(Cl)C=CC(=C1C(OC)=O)N AK-70910 [0,2,0,0,0,0|1,0,0]=3 901 B12R1.354 C1=C(O)C=CC(=C1C(OC)=O)O AK-46580 [0,2,0,0,0,0|1,0,0]=3 902 B12R1.354 COC(=O)C1=C(Br)C=CC(C)=C1 AK-64919 [0,2,0,0,0,0|1,0,0]=3 903 B12R1.354 COC(=O)C1=C(Br)C=CC(Cl)=C1 AK-46759 [0,2,0,0,0,0|1,0,0]=3 904 B12R1.354 COC(=O)C1=C(Br)C=CC(F)=C1 AK-53851 [0,2,0,0,0,0|1,0,0]=3 905 B12R1.354 COC(=O)C1=C(Cl)C=CC(O)=C1 AK-40211 [0,2,0,0,0,0|1,0,0]=3 906 B12R1.354 COC(=O)C1=C(Cl)N=CC(C)=C1 AK-67048 [0,2,0,0,0,0|0,0,0]=2 907 B12R1.354 COC(=O)C1=C(F)C=CC(F)=C1 AK-79666 [0,2,0,0,0,0|1,0,0]=3 908 B12R1.354 COC(=O)C1=C(I)C=CC(Br)=C1 AK-48957 [0,2,0,0,0,0|1,0,0]=3 909 B12R1.354 COC(=O)C1=C(I)C=CC(F)=C1 AK-43507 [0,2,0,0,0,0|1,0,0]=3 910 B12R1.354 COC(=O)C1=C(N)C=CC(C)=C1 AK-40247 [0,2,0,0,0,0|1,0,0]=3 911 B12R1.354 COC(=O)C1=C(N)C=CC(F)=C1 AK-79131 [0,2,0,0,0,0|1,0,0]=3 912 B12R1.354 COC(=O)C1=C(O)C=CC(Br)=C1 AK-59850 [0,2,0,0,0,0|1,0,0]=3 913 B12R1.354 COC(=O)C1=C(O)C=CC(N)=C1 AK-82780 [0,2,0,0,0,0|1,0,0]=3 914 B12R1.354 COC(=O)C1=CC(Br)=CNC1=O AK-44252 [0,2,0,0,0,0|0,0,1]=3 915 B12R1.354 FC1=CC(=C(C=C1)C)C(=O)OC AK-49054 [0,2,0,0,0,0|1,0,0]=3 916 B12R1.354 NC1=C(C(=O)OC)C=C(C=C1)O AK-28110 [0,2,0,0,0,0|1,0,0]=3 917 B12R1.354 NC1=C(C(=O)OC)C=C(C=N1)C AK-28006 [0,2,0,0,0,0|0,0,0]=2 918 B12R1.354 NC1=CC(=C(C=C1)C)C(=O)OC AK-25532 [0,2,0,0,0,0|1,0,0]=3 919 B12R1.354 NC1=NC=C(C=C1C(=O)OC)Br AK-24044 [0,2,0,0,0,0|0,0,0]=2 920 B12R1.354 NC1=NC=C(N=C1C(=O)OC)Cl AK-26715 [0,2,0,0,0,0|1,0,0]=3 921 B12R1.354 NC1=NC=C(N=C1C(=O)OC)I AK-23977 [0,2,0,0,0,0|1,0,0]=3 922 B12R1.354 O=C(C1=CC(Br)=NC=C1F)OC AK186022 [0,2,0,0,0,0|2,0,0]=4 923 B12R1.354 O=C(C1=CC(I)=CNC1=O)OC AK-82570 [0,2,0,0,0,0|0,0,1]=3 924 B12R1.354 O=C(C1=CC(N)=NC=C1Br)OC AK-30491 [0,2,0,0,0,0|2,0,0]=4 925 B12R1.354 O=C(C1=NC(Br)=CN=C1Br)OC AK-30737 [0,2,0,0,0,0|1,0,0]=3 926 B12R1.354 O=C(C1=NC(Br)=CN=C1Cl)OC AK-68872 [0,2,0,0,0,0|1,0,0]=3 927 B12R1.354 O=C(C1=NC(Cl)=CN=C1Br)OC AK-31196 [0,2,0,0,0,0|1,0,0]=3 928 B12R1.354 O=C(C1=NC(Cl)=CN=C1C)OC AK158180 [0,2,0,0,0,0|1,0,0]=3 929 B12R1.354 O=C(C1=NC(Cl)=CN=C1Cl)OC AK128607 [0,2,0,0,0,0|1,0,0]=3 930 B12R1.354 O=C(OC)C1=C(Br)C=NC(O)=C1 AK-29594 [0,2,0,0,0,0|2,0,0]=4 931 B12R1.354 O=C(OC)C1=C(Br)N=CC(C)=C1 AK100323 [0,2,0,0,0,0|0,0,0]=2 932 B12R1.354 O=C(OC)C1=C(C)N=CC(Cl)=C1 AK-39713 [0,2,0,0,0,0|0,0,0]=2 933 B12R1.354 O=C(OC)C1=C(Cl)C=NC(Cl)=C1 AK126033 [0,2,0,0,0,0|2,0,0]=4 934 B12R1.354 O=C(OC)C1=C(Cl)N=CC(Br)=C1 AK-23916 [0,2,0,0,0,0|0,0,0]=2 935 B12R1.354 O=C(OC)C1=C(Cl)N=CC(Cl)=C1 AK-36081 [0,2,0,0,0,0|0,0,0]=2 936 B12R1.354 O=C(OC)C1=C(F)N=CC(F)=C1 AK187952 [0,2,0,0,0,0|0,0,0]=2 937 B12R1.354 O=C(OC)C1=C(N)N=CC(Cl)=C1 AK-76210 [0,2,0,0,0,0|0,0,0]=2 938 B12R1.354 O=C(OC)C1=C(N)N=CC(I)=C1 AK136170 [0,2,0,0,0,0|0,0,0]=2 939 B12R1.354 O=C(OC)C1=CC(Br)=CC=C1Br AK113243 [0,2,0,0,0,0|1,0,0]=3 940 B12R1.354 O=C(OC)C1=CC(Br)=CC=C1F AK104796 [0,2,0,0,0,0|1,0,0]=3 941 B12R1.354 O=C(OC)C1=CC(Br)=CC=C1N AK-42294 [0,2,0,0,0,0|1,0,0]=3 942 B12R1.354 O=C(OC)C1=CC(Cl)=CC=C1Cl AK135726 [0,2,0,0,0,0|1,0,0]=3 943 B12R1.354 O=C(OC)C1=CC(Cl)=CC=C1I AK194044 [0,2,0,0,0,0|1,0,0]=3 944 B12R1.354 O=C(OC)C1=CC(Cl)=CC=C1O AK-80153 [0,2,0,0,0,0|1,0,0]=3 945 B12R1.354 O=C(OC)C1=CC(F)=CC=C1O AK-81427 [0,2,0,0,0,0|1,0,0]=3 946 B12R1.354 O=C(OC)C1=CC(I)=CC=C1C AK130391 [0,2,0,0,0,0|1,0,0]=3 947 B12R1.354 O=C(OC)C1=CC(I)=CC=C1Cl AK113568 [0,2,0,0,0,0|1,0,0]=3 948 B12R1.354 O=C(OC)C1=CC(N)=CC=C1Br AK126705 [0,2,0,0,0,0|1,0,0]=3 949 B12R1.354 O=C(OC)C1=CC(N)=CC=C1Cl AK-61315 [0,2,0,0,0,0|1,0,0]=3 950 B12R1.354 O=C(OC)C1=CC(O)=CC=C1F AK-64940 [0,2,0,0,0,0|1,0,0]=3 951 B12R1.354 O=C(OC)C1=NC(C)=CC=C1O AK123477 [0,2,0,0,0,0|2,0,0]=4 952 B12R1.354 O=C(OC)C1=NC(Cl)=CC=C1C AK-32402 [0,2,0,0,0,0|2,0,0]=4 953 B12R1.354 O=C(OC)C1=NC(Cl)=CC=C1N AK-47130 [0,2,0,0,0,0|2,0,0]=4 954 B12R1.358 C1=C(C(OC)=O)C=C(Br)C=C1Br AK-45314 [0,2,0,0,0,0|1,0,0]=3 955 B12R1.358 C1=C(N=C(C=C1C(OC)=O)Cl)Cl AK-39362 [0,2,0,0,0,0|2,0,0]=4 956 B12R1.358 CC1=CC(C(OC)=O)=CC(Cl)=N1 AK-25921 [0,2,0,0,0,0|2,0,0]=4 957 B12R1.358 COC(=O)C1=CC(Br)=CC(F)=C1 AK-98196 [0,2,0,0,0,0|1,0,0]=3 958 B12R1.358 COC(=O)C1=CC(N)=CC(Cl)=C1 AK-34145 [0,2,0,0,0,0|1,0,0]=3 959 B12R1.358 COC(=O)C1=CC(O)=CC(O)=C1 AK110747 [0,2,0,0,0,0|1,0,0]=3 960 B12R1.358 ClC1=CC(=NC(=C1)C(=O)OC)Cl AK-49057 [0,2,0,0,0,0|2,0,0]=4 961 B12R1.358 O=C(OC)C1=CC(Br)=CC(N)=C1 AK-98159 [0,2,0,0,0,0|1,0,0]=3 962 B12R1.358 O=C(OC)C1=CC(C)=CC(Br)=C1 AK-67625 [0,2,0,0,0,0|1,0,0]=3 963 B12R1.358 O=C(OC)C1=CC(C)=CC(C)=C1 AK117477 [0,2,0,0,0,0|1,0,0]=3 964 B12R1.358 O=C(OC)C1=CC(C)=CC(N)=C1 AK-46863 [0,2,0,0,0,0|1,0,0]=3 965 B12R1.358 O=C(OC)C1=CC(C)=NC(Br)=C1 AK-72498 [0,2,0,0,0,0|2,0,0]=4 966 B12R1.358 O=C(OC)C1=CC(F)=CC(N)=C1 AK-53655 [0,2,0,0,0,0|1,0,0]=3 967 B12R1.358 O=C(OC)C1=NC(Cl)=CC(C)=C1 AK-76346 [0,2,0,0,0,0|2,0,0]=4 968 B12R1.358 O=C(OC)C1=NC(N)=CC(Br)=C1 AK-26394 [0,2,0,0,0,0|2,0,0]=4 969 B12R1.435 C(#N)C1=NC=CC(=C1)C(=O)OC AK-31773 [0,2,0,0,0,0|2,0,0]=4 970 B12R1.435 C1=C(C=C(C=C1)C(OC)=O)C#N AK-44521 [0,2,0,0,0,0|1,0,0]=3 971 B12R1.435 C1=C(C=CC=C1C(OC)=O)C=O AK-45765 [0,2,0,0,0,0|1,0,0]=3 972 B12R1.435 C1=C(C=CC=C1CBr)C(=O)OC AK-45772 [0,2,0,0,0,0|1,0,0]=3 973 B12R1.435 COC(=O)C1=CC(CBr)=CN=C1 AK-64761 [0,2,0,0,0,0|0,0,0]=2 974 B12R1.435 COC(=O)C1=CC=NC(CO)=C1 AK-76202 [0,2,0,0,0,0|2,0,0]=4 975 B12R1.435 COC(=O)C1=NC(=CC=C1)C#C AK-39902 [0,2,0,0,0,0|2,0,0]=4 976 B12R1.435 COC(=O)C1=NC(C=O)=CC=C1 AK-39343 [0,2,0,0,0,0|2,0,0]=4 977 B12R1.435 COC1=CC=CC(=C1)C(CC)=O AK-47465 [0,2,0,0,0,0|2,0,0]=4 978 B12R1.435 O=C(C1=CC(CN)=NC=C1)OC AK-28325 [0,2,0,0,0,0|2,0,0]=4 979 B12R1.435 O=C(C1=NC(OC)=CN=C1)OC AK-68422 [0,2,0,0,0,0|1,0,0]=3 980 B12R1.435 O=C(C1=NC=CC(OC)=C1)OC AK-45505 [0,2,0,0,0,0|2,0,0]=4 981 B12R1.435 O=C(OC)C1=CC=CC(C#C)=C1 AK-88599 [0,2,0,0,0,0|1,0,0]=3 982 B12R1.435 O=C(OC)C1=CC=NC(C#C)=C1 AK151768 [0,2,0,0,0,0|2,0,0]=4 983 B12R1.435 O=C(OC)C1=CC=NC(C=O)=C1 AK100394 [0,2,0,0,0,0|2,0,0]=4 984 B12R1.435 O=C(OC)C1=CC=NC(CBr)=C1 AK163967 [0,2,0,0,0,0|2,0,0]=4 985 B12R1.435 O=C(OC)C1=CC=NC(OC)=C1 AK-28606 [0,2,0,0,0,0|2,0,0]=4 986 B12R1.435 O=C(OC)C1=CN=CC(C#N)=C1 AK-27141 [0,2,0,0,0,0|0,0,0]=2 987 B12R1.435 O=C(OC)C1=CN=CC(CCl)=C1 AK134747 [0,2,0,0,0,0|0,0,0]=2 988 B12R1.435 O=C(OC)C1=CN=CC(CN)=C1 AK543180 [0,2,0,0,0,0|0,0,0]=2 989 B12R1.435 O=C(OC)C1=CN=CC(CO)=C1 AK-57253 [0,2,0,0,0,0|0,0,0]=2 990 B12R1.435 O=C(OC)C1=NC(C#N)=CC=C1 AK-39973 [0,2,0,0,0,0|2,0,0]=4 991 B12R1.435 O=C(OC)C1=NC(CBr)=CC=C1 AK-29873 [0,2,0,0,0,0|2,0,0]=4 992 B12R1.435 O=C(OC)C1=NC(CC)=CC=C1 AK100751 [0,2,0,0,0,0|2,0,0]=4 993 B12R1.435 O=C(OC)C1=NC(CF)=CC=C1 AK-26515 [0,2,0,0,0,0|2,0,0]=4 994 B12R1.435 O=C(OC)C1=NC(CN)=CC=C1 AK154847 [0,2,0,0,0,0|2,0,0]=4 995 B12R1.435 O=C(OC)C1=NC(CO)=CC=C1 AK-61314 [0,2,0,0,0,0|2,0,0]=4 996 B12R1.435 O=C(OC)C1=NC(OC)=CC=C1 AK-76230 [0,2,0,0,0,0|2,0,0]=4 997 B12R1.435 O=C(OC)C1=NC=CC(C=O)=C1 AK112528 [0,2,0,0,0,0|2,0,0]=4 998 B12R1.435 O=C(OC)C1=NC=CC(CO)=C1 AK144125 [0,2,0,0,0,0|2,0,0]=4 999 B12R1.124 CC(Br)C(C1=CC=CC=C1Cl)=O AK208953 [0,2,0,0,0,0|2,0,0]=4 1000 B12R1.564 CC(C)(O)C(C1=CC=CC=C1)=O AK-98815 [0,2,0,0,0,0|2,0,0]=4 1001 B12R1.564 FC(F)(F)C(C1=CC=CN=C1)=O AK143116 [0,2,0,0,0,0|2,0,0]=4 1002 B12R1.77 C1=CC=CC(=C1C(OC)=O)CBr AK-34305 [0,2,0,0,0,0|1,0,0]=3 1003 B12R1.77 COC(=O)C1=C(C=CC=C1)C#N AK-82518 [0,2,0,0,0,0|1,0,0]=3 1004 B12R1.77 COC1=CC=CN=C1C(=O)OC AK-29044 [0,2,0,0,0,0|2,0,0]=4 1005 B12R1.77 O=C(OC)C1=C(C#N)N=CC=C1 AK-83585 [0,2,0,0,0,0|0,0,0]=2 1006 B12R1.77 O=C(OC)C1=C(CBr)N=CC=C1 AK128701 [0,2,0,0,0,0|0,0,0]=2 1007 B12R1.77 O=C(OC)C1=C(CN)N=CC=C1 AK173154 [0,2,0,0,0,0|0,0,0]=2 1008 B12R1.77 O=C(OC)C1=C(OC)N=CC=C1 AK-47108 [0,2,0,0,0,0|0,0,0]=2 1009 B12R1.77 O=C(OC)C1=CC=CC=C1C#C AK-64821 [0,2,0,0,0,0|1,0,0]=3 1010 B12R1.77 O=C(OC)C1=CC=CC=C1C=O AK-49779 [0,2,0,0,0,0|1,0,0]=3 1011 B12R1.77 O=C(OC)C1=CC=CC=C1OC AK-94060 [0,2,0,0,0,0|1,0,0]=3 1012 B12R1.77 O=C(OC)C1=NC=CC=C1CBr AK143067 [0,2,0,0,0,0|2,0,0]=4 1013 B12R1.3441 BrC1=C(C(=O)OC)C(=CC=C1)C AK-29651 [0,2,0,0,0,0|1,0,0]=3 1014 B12R1.3441 COC(=O)C1=C(Br)C=CC=C1F AK-98628 [0,2,0,0,0,0|1,0,0]=3 1015 B12R1.3441 COC(=O)C1=C(Cl)C=CC=C1F AK-79668 [0,2,0,0,0,0|1,0,0]=3 1016 B12R1.3441 COC(=O)C1=C(O)C=CC=C1C AK-72747 [0,2,0,0,0,0|1,0,0]=3 1017 B12R1.3441 ClC1=C(C(=O)OC)C(=CC=N1)Cl AK-46583 [0,2,0,0,0,0|0,0,0]=2 1018 B12R1.3441 O=C(OC)C1=C(Br)C=CC=C1N AK-58414 [0,2,0,0,0,0|1,0,0]=3 1019 B12R1.3441 O=C(OC)C1=C(C)C=CC=C1N AK-33845 [0,2,0,0,0,0|1,0,0]=3 1020 B12R1.3441 O=C(OC)C1=C(Cl)C=CC=C1Br AK-61908 [0,2,0,0,0,0|1,0,0]=3 1021 B12R1.3441 O=C(OC)C1=C(Cl)C=CC=C1N AK157079 [0,2,0,0,0,0|1,0,0]=3 1022 B12R1.3441 O=C(OC)C1=C(Cl)N=CC=C1I AK-28929 [0,2,0,0,0,0|0,0,0]=2 1023 B12R1.3441 O=C(OC)C1=C(F)C=CC=C1F AK-58617 [0,2,0,0,0,0|1,0,0]=3 1024 B12R1.3441 O=C(OC)C1=C(F)C=NC=C1Br AK134751 [0,2,0,0,0,0|2,0,0]=4 1025 B12R1.3441 O=C(OC)C1=C(F)N=CC=C1I AK-36697 [0,2,0,0,0,0|0,0,0]=2 1026 B12R1.3441 O=C(OC)C1=C(O)C=CC=C1F AK-80495 [0,2,0,0,0,0|1,0,0]=3 1027 B12R1.3441 O=C(OC)C1=C(O)C=CC=C1O AK-64730 [0,2,0,0,0,0|1,0,0]=3 1028 B10R1.20 O=CC1=C(OC)C=CN=C1 AK-29552 [0,0,1,1,0,0|2,0,0]=4 1029 B10R1.20 O=CC1=C(OC)N=CC=C1 AK-36180 [0,0,1,1,0,0|2,0,0]=4 1030 B10R1.20 O=CC1=CC=CC=C1OC AK116922 [0,0,1,1,0,0|2,0,0]=4 1031 B10R1.172 O=CC1=NC=CC(OC)=C1 AK-64229 [0,0,1,1,0,0|2,0,0]=4 1032 B10R2.320 C1=CC=CC2=C1CC2=O AK-72898 [1,0,0,1,0,0|1,0,0]=3 1033 B10R2.7 C12=C(NN=C1)C=CN=C2 AK-54963 [1,0,0,1,0,0|2,0,0]=4 1034 B10R2.7 C12=NC=CC=C1C=CN2 AK-26735 [1,0,0,1,0,0|2,0,0]=4 1035 B10R2.7 C12=NC=CC=C1C=NN2 AK-32129 [1,0,0,1,0,0|2,0,0]=4 1036 B10R2.7 C12=NC=CC=C1CNC2 AK-27514 [1,0,0,1,0,0|1,0,1]=4 1037 B10R2.7 C1=CSC2=C1C=NC=C2 AK-39315 [1,0,0,1,0,0|2,0,0]=4 1038 B10R2.7 C1=C[NH]C2=C1C=NC=C2 AK-29973 [1,0,0,1,0,0|2,0,0]=4 1039 B10R2.7 C1NCC2=C1C=CN=C2 AK-49968 [1,0,0,1,0,0|1,0,1]=4 1040 B10R2.7 C=12CNCC1C=CN=C2 AK-27368 [1,0,0,1,0,0|1,0,1]=4 1041 B10R2.7 C=12NCCC1C=CN=C2 AK-76917 [1,0,0,1,0,0|2,0,0]=4 1042 B10R2.7 C=12NCCC1C=CN=C2 AK138671 [1,0,0,1,0,0|2,0,0]=4 1043 B10R2.7 S1C=CC2=C1N=CC=C2 AK-30780 [1,0,0,1,0,0|2,0,0]=4 1044 B10R2.32 C1=CSC2=C1CCC2=O AK-38055 [0,0,0,1,1,0|2,0,0]=4 1045 B12R2.24 C1=CC=CC2=C1NC(=O)CC2 AK-26121 [0,0,0,1,0,1|2,0,0]=4 1046 B12R2.24 O=C1CC2=CC=CC=C2CO1 AK-35166 [0,0,0,1,0,1|1,0,0]=3 1047 B12R2.24 O=C1NC2=C(C=CC=C2)CN1 AK143293 [0,0,0,1,0,1|2,0,0]=4 1048 B12R2.24 O=C1NC2=CC=CN=C2C=C1 AK-38086 [0,0,0,1,0,1|1,0,1]=4 1049 B12R2.24 O=C1NC2=CN=CC=C2C=C1 AK-40195 [0,0,0,1,0,1|1,0,1]=4 1050 B12R2.32 CCC1=NC2=NC=CC=C2O1 AK-85808 [0,0,0,1,0,1|2,0,0]=4 1051 B12R2.32 CSC1=NC2=CC=CN=C2O1 AK-28870 [0,0,0,1,0,1|0,1,1]=4 1052 B12R2.1 C1=C(C2=C(N=CC=C2)[NH]1)C=O AK-24128 [0,1,0,1,0,0|2,0,0]=4 1053 B12R2.1 O=CC1=CNC2=C1C=NC=C2 AK-41565 [0,1,0,1,0,0|2,0,0]=4 1054 B12R2.2 C1(C2=CC=CN=C2)=NCCO1 AK158900 [0,1,0,1,0,0|1,0,0]=3 1055 B12R2.1081 C1=CC=C2C(=N1)NC=NC2=O AK-24879 [0,1,0,1,0,0|1,0,1]=4 1056 B12R2.1081 C1=CC=CC2=C1C(=O)NCC2 AK-25321 [0,1,0,1,0,0|2,0,0]=4 1057 B12R2.1081 O=C1C2=C(N=CC=C2)C=CN1 AK-32107 [0,1,0,1,0,0|1,0,1]=4 1058 B12R2.1081 O=C1CCCC2=C1C=CC=C2 AK-43970 [0,1,0,1,0,0|2,0,0]=4 1059 B12R2.1081 O=C1CCCC2=C1C=CC=N2 AK-26084 [0,1,0,1,0,0|1,0,0]=3 1060 B12R2.1081 O=C1CCCC2=C1C=NC=C2 AK149492 [0,1,0,1,0,0|1,0,0]=3 1061 B12R2.1081 O=C1CCNC2=C1C=CC=C2 AK-77367 [0,1,0,1,0,0|2,0,0]=4 1062 B12R2.1081 O=C1CCOC2=C1C=CC=C2 AK-46406 [0,1,0,1,0,0|2,0,0]=4 1063 B12R2.1081 O=C1OCCC2=C1C=CC=C2 AK-84484 [0,1,0,1,0,0|1,0,0]=3 1064 B12R2.2028 BrC1CC(=O)C2=C1C=CC=C2 AK-32505 [0,1,0,1,0,0|2,0,0]=4 1065 B12R2.2028 C1=C2C(=NC=C1)[N](N=C2N)C AK-22065 [0,1,0,1,0,0|2,0,0]=4 1066 B12R2.2028 CN1N=C(Br)C2=CC=CN=C21 AK145336 [0,1,0,1,0,0|2,0,0]=4 1067 B12R2.2028 O=C1NC(C2=NC=CC=C21)=O AK-44366 [0,1,0,1,0,0|1,0,1]=4 1068 B12R2.2028 O=C1NC(N)C2=C1C=CC=C2 AK158160 [0,1,0,1,0,0|2,0,0]=4 1069 B12R2.2028 O=C1NC(O)C2=NC=CC=C21 AK146257 [0,1,0,1,0,0|1,0,0]=3 1070 B12R2.2028 O=C1NN(C)C2=C1C=CC=C2 AK155423 [0,1,0,1,0,0|2,0,0]=4 1071 B12R2.2028 O=C1OC(=O)C2=C1C=CN=C2 AK-41089 [0,1,0,1,0,0|0,0,1]=3 1072 B12R2.2028 O=C1OC(C2=CC=CN=C12)=O AK-44064 [0,1,0,1,0,0|0,0,1]=3 1073 B12R2.2028 O=C1OC(O)C2=C1C=CC=C2 AK607884 [0,1,0,1,0,0|1,0,0]=3 1074 B12R2.612 BrC1=CC=C2C(NCC2=C1)=O AK-29385 [0,1,0,1,0,0|2,0,0]=4 1075 B12R2.612 C1=C(C=CC2=C1CCC2=O)Cl AK-31971 [0,1,0,1,0,0|2,0,0]=4 1076 B12R2.612 NC1=CC=C2C(NCC2=C1)=O AK-34184 [0,1,0,1,0,0|2,0,0]=4 1077 B12R2.612 O=C1CCC2=C1C=CC(Br)=C2 AK-25818 [0,1,0,1,0,0|2,0,0]=4 1078 B12R2.612 O=C1CCC2=C1C=CC(C)=C2 AK-41812 [0,1,0,1,0,0|2,0,0]=4 1079 B12R2.612 O=C1CCC2=C1C=CC(F)=C2 AK-26274 [0,1,0,1,0,0|2,0,0]=4 1080 B12R2.612 O=C1CCC2=C1C=CC(I)=C2 AK-29326 [0,1,0,1,0,0|2,0,0]=4 1081 B12R2.612 O=C1CCC2=C1C=CC(N)=C2 AK-34777 [0,1,0,1,0,0|2,0,0]=4 1082 B12R2.612 O=C1OCC2=C1C=CC(Br)=C2 AK-35968 [0,1,0,1,0,0|1,0,0]=3 1083 B12R2.612 O=C1OCC2=C1C=CC(Cl)=C2 AK161984 [0,1,0,1,0,0|1,0,0]=3 1084 B12R2.132 C1=CC(=CC2=C1CCC2=O)Br AK-26732 [0,1,0,1,0,0|2,0,0]=4 1085 B12R2.132 C1=CC2=C(C(OC2)=O)C=C1Br AK-33925 [0,1,0,1,0,0|1,0,0]=3 1086 B12R2.132 ClC1=CC=C2C(=C1)C(CC2)=O AK-29868 [0,1,0,1,0,0|2,0,0]=4 1087 B12R2.132 FC1=CC=C2COC(=O)C2=C1 AK-80844 [0,1,0,1,0,0|1,0,0]=3 1088 B12R2.132 IC1=CC=C2COC(=O)C2=C1 AK-35552 [0,1,0,1,0,0|1,0,0]=3 1089 B12R2.132 O=C1CCC2=C1C=C(C)C=C2 AK-34324 [0,1,0,1,0,0|2,0,0]=4 1090 B12R2.132 O=C1CCC2=C1C=C(I)C=C2 AK-28079 [0,1,0,1,0,0|2,0,0]=4 1091 B12R2.132 O=C1CCC2=C1C=C(O)C=C2 AK-35907 [0,1,0,1,0,0|2,0,0]=4 1092 B12R2.132 O=C1CCC2=NC=C(Br)C=C21 AK315376 [0,1,0,1,0,0|1,0,0]=3 1093 B12R2.132 O=C1NCC2=C1C=C(Br)C=C2 AK-41679 [0,1,0,1,0,0|2,0,0]=4 1094 B12R2.132 O=C1NCC2=C1C=C(N)C=C2 AK-43743 [0,1,0,1,0,0|2,0,0]=4 1095 B12R2.132 O=C1OCC2=C1C=C(C)C=C2 AK316681 [0,1,0,1,0,0|1,0,0]=3 1096 B12R2.196 BrC1=C2C(=CC=C1)C(NC2)=O AK-37750 [0,1,0,1,0,0|2,0,0]=4 1097 B12R2.196 BrC1=CC=CC2=C1COC2=O AK-30225 [0,1,0,1,0,0|1,0,0]=3 1098 B12R2.196 CC1=C2CCC(=O)C2=CC=C1 AK-75612 [0,1,0,1,0,0|2,0,0]=4 1099 B12R2.196 ClC1=C2C(=CC=C1)C(CC2)=O AK-28796 [0,1,0,1,0,0|2,0,0]=4 1100 B12R2.196 O=C1CCC2=C1C=CC=C2Br AK-31085 [0,1,0,1,0,0|2,0,0]=4 1101 B12R2.196 O=C1CCC2=C1C=CC=C2F AK-30423 [0,1,0,1,0,0|2,0,0]=4 1102 B12R2.196 O=C1CCC2=C1C=CC=C2N AK-29325 [0,1,0,1,0,0|2,0,0]=4 1103 B12R2.196 O=C1OCC2=C1C=CC=C2N AK-41573 [0,1,0,1,0,0|1,0,0]=3 1104 B12R2.196 OC1=C2C(=CC=C1)C(CC2)=O AK-39828 [0,1,0,1,0,0|2,0,0]=4 1105 B12R2.196 OC1=CC=CC2=C1CNC2=O AK-43729 [0,1,0,1,0,0|2,0,0]=4 1106 B12R2.203 CC1=CC=CC2=C1C(=O)CC2 AK-41002 [0,1,0,1,0,0|2,0,0]=4 1107 B12R2.203 FC1=C2C(CCC2=CC=C1)=O AK-30094 [0,1,0,1,0,0|2,0,0]=4 1108 B12R2.203 O=C1CCC2=C1C(Br)=CC=C2 AK-28759 [0,1,0,1,0,0|2,0,0]=4 1109 B12R2.203 O=C1CCC2=C1C(Cl)=CC=C2 AK-29207 [0,1,0,1,0,0|2,0,0]=4 1110 B12R2.203 O=C1CCC2=C1C(N)=CC=C2 AK-30069 [0,1,0,1,0,0|2,0,0]=4 1111 B12R2.203 O=C1CCC2=C1C(O)=CC=C2 AK-36137 [0,1,0,1,0,0|2,0,0]=4 1112 B8R1.7 C1=C(C(=O)O)[NH]C=N1 AK-25282 [1,0,0,0,1,0|1,0,0]=3 1113 B8R1.7 C1=COC=C1C(O)=O AK-32276 [1,0,0,0,1,0|1,0,0]=3 1114 B8R1.7 C1=CSC(=N1)C(C)=O AK-46781 [1,0,0,0,1,0|1,0,0]=3 1115 B8R1.7 C1=NC=C(S1)C(=O)O AK-27761 [1,0,0,0,1,0|1,0,0]=3 1116 B8R1.7 C1=N[NH]C=C1C(O)=O AK-25877 [1,0,0,0,1,0|1,0,0]=3 1117 B8R1.7 CC(=O)C1=CC=CN1 AK-53458 [1,0,0,0,1,0|0,0,1]=3 1118 B8R1.7 CC(=O)C1=CC=NO1 AK-68495 [1,0,0,0,1,0|1,0,0]=3 1119 B8R1.7 CC(=O)C1=CSC=C1 AK-44537 [1,0,0,0,1,0|1,0,0]=3 1120 B8R1.7 NC(=O)C1=COC=N1 AK-99961 [1,0,0,0,1,0|2,0,0]=4 1121 B8R1.7 O1C=CC(=N1)C(=O)O AK-27692 [1,0,0,0,1,0|1,0,0]=3 1122 B8R1.7 O1N=CC(=N1)C(=O)O AK-32069 [1,0,0,0,1,0|2,0,0]=4 1123 B8R1.7 O=C(C1=CC=CN1)O AK-44225 [1,0,0,0,1,0|0,0,1]=3 1124 B8R1.7 O=C(C1=CC=CO1)O AK-72863 [1,0,0,0,1,0|1,0,0]=3 1125 B8R1.7 O=C(C1=CC=CS1)[O-] AK110095 [1,0,0,0,1,0|1,0,1]=4 1126 B8R1.7 O=C(C1=CC=NO1)O AK-25596 [1,0,0,0,1,0|1,0,0]=3 1127 B8R1.7 O=C(C1=CC=NS1)O AK-94814 [1,0,0,0,1,0|1,0,0]=3 1128 B8R1.7 O=C(C1=CN=CO1)O AK-28732 [1,0,0,0,1,0|1,0,0]=3 1129 B8R1.7 O=C(C1=CNC=C1)C AK-45953 [1,0,0,0,1,0|0,0,1]=3 1130 B8R1.7 O=C(C1=CNC=N1)C AK-45163 [1,0,0,0,1,0|1,0,0]=3 1131 B8R1.7 O=C(C1=COC=N1)O AK-29026 [1,0,0,0,1,0|1,0,0]=3 1132 B8R1.7 O=C(C1=CSC=C1)O AK-46373 [1,0,0,0,1,0|1,0,0]=3 1133 B8R1.7 O=C(C1=CSC=N1)O AK-23931 [1,0,0,0,1,0|1,0,0]=3 1134 B8R1.7 O=C(C1=CSN=C1)O AK-84534 [1,0,0,0,1,0|1,0,0]=3 1135 B8R1.7 O=C(C1=NC=CN1)N AK139797 [1,0,0,0,1,0|2,0,0]=4 1136 B8R1.7 O=C(C1=NC=CO1)[O-] AK-93393 [1,0,0,0,1,0|1,0,1]=4 1137 B8R1.7 O=C(C1=NNC=C1)N AK-27992 [1,0,0,0,1,0|2,0,0]=4 1138 B8R1.7 O=C(C1=NNC=C1)O AK-29904 [1,0,0,0,1,0|1,0,0]=3 1139 B8R1.7 OC(=O)C1=CNC=C1 AK-26450 [1,0,0,0,1,0|0,0,1]=3 1140 B8R1.7 OC(=O)C1=CNN=N1 AK-28855 [1,0,0,0,1,0|2,0,0]=4 1141 B8R1.7 S1C=C(N=C1)C(C)=O AK-39395 [1,0,0,0,1,0|1,0,0]=3 1142 B8R1.7 S1C=CN=C1C(=O)O AK-21895 [1,0,0,0,1,0|1,0,0]=3 1143 B8R1.7 [NH]1C=CN=C1C(=O)O AK-27693 [1,0,0,0,1,0|1,0,0]=3 1144 B8R1.7 [O-]C(=O)C1=CC=CS1 AK111442 [1,0,0,0,1,0|1,0,1]=4 1145 B8R1.8 COCN1C=CN=C1 AK116280 [1,0,0,0,1,0|1,0,1]=4 1146 B12R1.27 C1=C(CCC(OC)=O)C=CC=C1 AK-41212 [0,0,0,0,0,2|1,0,0]=3 1147 B12R1.27 O=C(OC)COC1=CC=CC=C1 AK139324 [0,0,0,0,0,2|1,0,0]=3 1148 B12R1.27 O=C(OC)\C=C\C1=CC=CC=C1 AK-93451 [0,0,0,0,0,2|1,0,0]=3