0 B10R1.15 C1=C(C(OC)=O)C=CN=C1 AK-46755 [0,0,0,0,0,0|1,0,0]=1 1 B10R1.15 C1=C(C(OC)=O)N=CC=C1 AK-46574 [0,0,0,0,0,0|1,0,0]=1 2 B10R1.15 C1=CC=NC=C1C(OC)=O AK-47410 [0,0,0,0,0,0|1,0,0]=1 3 B10R1.15 C1=NC=CN=C1C(OC)=O AK-47365 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.15 CC(C1=CC=CC=C1)CN AK-67959 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.15 CC[C@@H](C1=NC=CC=C1)N AK544238 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.15 CC[C@H](C1=NC=CC=C1)N AK668420 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.15 COC(=O)C1=CCCCC1 AK-89355 [0,0,0,0,0,0|0,0,4]=4 8 B10R1.15 COC(=O)C1=CCOCC1 AK-32760 [0,0,0,0,0,0|1,0,3]=4 9 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 AK-47624 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.15 C[C@@H](NC)C1=CC=CC=C1 AK140531 [0,0,0,0,0,0|2,0,1]=3 11 B10R1.15 ClC(C=C)C1=CC=CC=C1 AK173991 [0,0,0,0,0,0|2,0,2]=4 12 B10R1.15 FC(C1=CC=CC=C1)CBr AK-93540 [0,0,0,0,0,0|3,0,1]=4 13 B10R1.15 N1=NC=C(C=C1)C(=O)OC AK-48857 [0,0,0,0,0,0|2,0,0]=2 14 B10R1.15 NCC(C1=CC=CC=C1)=O AK-26107 [0,0,0,0,0,0|2,0,0]=2 15 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 AK-45230 [0,0,0,0,0,0|2,0,2]=4 16 B10R1.15 NNC(=O)C1=CC=NC=C1 AK-46317 [0,0,0,0,0,0|3,0,0]=3 17 B10R1.15 NNC(C1=CC=CN=C1)=O AK-44810 [0,0,0,0,0,0|3,0,0]=3 18 B10R1.15 N[C@H](C1=CC=CC=C1)CO AK-41249 [0,0,0,0,0,0|3,0,1]=4 19 B10R1.15 O=C(C1=NC=CC=C1)CBr AK-44981 [0,0,0,0,0,0|3,0,0]=3 20 B10R1.15 O=C(C1=NC=CC=N1)OC AK-24352 [0,0,0,0,0,0|2,0,0]=2 21 B10R1.15 O=C(C1=NC=NC=C1)NN AK-68698 [0,0,0,0,0,0|4,0,0]=4 22 B10R1.15 O=C(C1=NN=CC=C1)OC AK-68100 [0,0,0,0,0,0|2,0,0]=2 23 B10R1.15 O=C(NC)C1=CC=CC=C1 AK323662 [0,0,0,0,0,0|1,0,0]=1 24 B10R1.15 O=C(NN)C1=NC=CC=C1 AK117449 [0,0,0,0,0,0|3,0,0]=3 25 B10R1.15 O=C(NN)C1=NC=CN=C1 AK-48495 [0,0,0,0,0,0|4,0,0]=4 26 B10R1.15 O=CN(C)C1=CC=CC=C1 AK-48601 [0,0,0,0,0,0|4,0,0]=4 27 B10R1.15 O=S(C1=CC=CC=C1)OC AK109245 [0,0,0,0,0,0|1,0,0]=1 28 B10R1.15 OC(C1=CC=CC=C1)CBr AK-76552 [0,0,0,0,0,0|2,0,2]=4 29 B10R1.15 OC(C1=CC=CC=C1)CO AK117070 [0,0,0,0,0,0|2,0,2]=4 30 B10R1.15 OCC(=O)C1=CC=CC=C1 AK-94786 [0,0,0,0,0,0|2,0,0]=2 31 B10R1.15 OCC(N)C1=CC=CC=C1 AK-47370 [0,0,0,0,0,0|3,0,1]=4 32 B10R1.15 O[C@@H](C1=CC=CC=C1)CO AK-45210 [0,0,0,0,0,0|2,0,2]=4 33 B10R1.15 O[C@H](C1=CC=CC=C1)CO AK-33573 [0,0,0,0,0,0|2,0,2]=4 34 B10R1.15 [C@H](N)(C1=CC=CC=C1)CO AK-41260 [0,0,0,0,0,0|3,0,1]=4 35 B9R1.6 C1=C(C(=O)C)C=CN=C1 AK-65203 [1,0,0,0,0,0|1,0,0]=2 36 B9R1.6 C1=C(C(C)=O)N=CC=C1 AK-53417 [1,0,0,0,0,0|1,0,0]=2 37 B9R1.6 C1=C(C(N)=O)C=CN=C1 AK-47864 [1,0,0,0,0,0|2,0,0]=3 38 B9R1.6 C1=C(C=CC=C1)B(O)O AK-50285 [1,0,0,0,0,0|1,0,1]=3 39 B9R1.6 C1=C(C=CN=C1)B(O)O AK-26762 [1,0,0,0,0,0|2,0,1]=4 40 B9R1.6 C1=C(N=CC=N1)C(=O)C AK-16901 [1,0,0,0,0,0|2,0,0]=3 41 B9R1.6 C1=C(N=NC=C1)C(O)=O AK-28139 [1,0,0,0,0,0|2,0,0]=3 42 B9R1.6 C1=CN=CN=C1C(=O)O AK-23926 [1,0,0,0,0,0|2,0,0]=3 43 B9R1.6 C1=NC(=CC=C1)C(C)C AK-46532 [1,0,0,0,0,0|2,0,1]=4 44 B9R1.6 C1=NC=CN=C1C(O)=O AK-47505 [1,0,0,0,0,0|2,0,0]=3 45 B9R1.6 C1=NC=NC=C1C(=O)O AK-24470 [1,0,0,0,0,0|2,0,0]=3 46 B9R1.6 CC(=O)C1=CC=CN=N1 AK-83539 [1,0,0,0,0,0|2,0,0]=3 47 B9R1.6 CC(=O)C1=CC=NN=C1 AK-30816 [1,0,0,0,0,0|2,0,0]=3 48 B9R1.6 CC(=O)C1=NC=CC=N1 AK-35526 [1,0,0,0,0,0|2,0,0]=3 49 B9R1.6 CC(C1=CN=CN=C1)=O AK-32388 [1,0,0,0,0,0|2,0,0]=3 50 B9R1.6 CC(C1=NC=NC=C1)=O AK-40767 [1,0,0,0,0,0|2,0,0]=3 51 B9R1.6 CC(N)C1=CC=CN=C1 AK-35649 [1,0,0,0,0,0|2,0,1]=4 52 B9R1.6 CC(O)C1=NC=CC=C1 AK-53453 [1,0,0,0,0,0|1,0,2]=4 53 B9R1.6 CN(C)C1=NC=CC=C1 AK-78706 [1,0,0,0,0,0|3,0,0]=4 54 B9R1.6 C[C@@H](N)C1=CC=CC=C1 AK668263 [1,0,0,0,0,0|1,0,1]=3 55 B9R1.6 C[C@@H](N)C1=CC=CN=C1 AK152012 [1,0,0,0,0,0|2,0,1]=4 56 B9R1.6 C[C@@H](N)C1=NC=CC=C1 AK122419 [1,0,0,0,0,0|2,0,1]=4 57 B9R1.6 C[C@@H](O)C1=CC=CC=C1 AK-79205 [1,0,0,0,0,0|0,0,2]=3 58 B9R1.6 C[C@@H](O)C1=CC=NC=C1 AK-45022 [1,0,0,0,0,0|1,0,2]=4 59 B9R1.6 C[C@@H](O)C1=NC=CC=C1 AK-79201 [1,0,0,0,0,0|1,0,2]=4 60 B9R1.6 C[C@H](N)C1=CC=CN=C1 AK151271 [1,0,0,0,0,0|2,0,1]=4 61 B9R1.6 C[C@H](O)C1=CC=NC=C1 AK-79199 [1,0,0,0,0,0|1,0,2]=4 62 B9R1.6 N1=C(C=CC=C1)C(N)=S AK-65332 [1,0,0,0,0,0|2,1,0]=4 63 B9R1.6 N1=C(C=CC=C1)[C@@H](C)N AK-37082 [1,0,0,0,0,0|2,0,1]=4 64 B9R1.6 N1=C(N=CC=C1)C(=O)O AK-24353 [1,0,0,0,0,0|2,0,0]=3 65 B9R1.6 N1=NC=C(C=C1)C(=O)O AK-26044 [1,0,0,0,0,0|2,0,0]=3 66 B9R1.6 N=C(N)C1=CC=CC=C1 AK-47930 [1,0,0,0,0,0|2,0,0]=3 67 B9R1.6 N=C(N)C1=CC=NC=C1 AK-84875 [1,0,0,0,0,0|3,0,0]=4 68 B9R1.6 N=C(N)C1=CC=NC=C1 AK546382 [1,0,0,0,0,0|3,0,0]=4 69 B9R1.6 N=C(N)C1=CN=CC=C1 AK-76662 [1,0,0,0,0,0|3,0,0]=4 70 B9R1.6 N=C(N)C1=NC=CC=C1 AK-26055 [1,0,0,0,0,0|3,0,0]=4 71 B9R1.6 NC(=N)C1=CC=CC=C1 AK-48017 [1,0,0,0,0,0|2,0,0]=3 72 B9R1.6 NC(=O)C1=CN=CC=N1 AK-94813 [1,0,0,0,0,0|3,0,0]=4 73 B9R1.6 NC(C1=CC=CC=C1)=S AK-46849 [1,0,0,0,0,0|1,1,0]=3 74 B9R1.6 N[C@@H](C1=CC=NC=C1)C AK202973 [1,0,0,0,0,0|2,0,1]=4 75 B9R1.6 N[C@H](C1=NC=CC=C1)C AK-37110 [1,0,0,0,0,0|2,0,1]=4 76 B9R1.6 O=C(Cl)C1=NC=CC=C1 AK-49118 [1,0,0,0,0,0|2,0,0]=3 77 B9R1.6 O=C(N)C1=CC=CC=C1 AK-77684 [1,0,0,0,0,0|1,0,0]=2 78 B9R1.6 O=C(N)C1=CN=CC=C1 AK112769 [1,0,0,0,0,0|2,0,0]=3 79 B9R1.6 O=C(N)C1=NC=CC=C1 AK106190 [1,0,0,0,0,0|2,0,0]=3 80 B9R1.6 O=C(O)C1=CN=CC=C1 AK-46486 [1,0,0,0,0,0|1,0,0]=2 81 B9R1.6 O=C(O)C1=NC=CC=C1 AK-50286 [1,0,0,0,0,0|1,0,0]=2 82 B9R1.6 O=S(C1=CC=CC=C1)[O-] AK162411 [1,0,0,0,0,0|1,0,1]=3 83 B9R1.6 OB(C1=CC=CN=C1)O AK-26799 [1,0,0,0,0,0|2,0,1]=4 84 B9R1.6 OB(C1=NC=CC=C1)O AK-26642 [1,0,0,0,0,0|2,0,1]=4 85 B9R1.6 OC(=O)C1=CC=NC=C1 AK-49896 [1,0,0,0,0,0|1,0,0]=2 86 B9R1.8 BrCCC1=CC=CC=C1 AK-54085 [1,0,0,0,0,0|2,0,1]=4 87 B9R1.8 C1=C(C=CC=C1)CON AK-49180 [1,0,0,0,0,0|1,0,1]=3 88 B9R1.8 C1=C(CNN)C=CC=C1 AK-72938 [1,0,0,0,0,0|2,0,1]=4 89 B9R1.8 C1=C(N=CC=C1)COC AK-32294 [1,0,0,0,0,0|1,0,1]=3 90 B9R1.8 CCCC1=CC=NC=C1 AK109267 [1,0,0,0,0,0|2,0,1]=4 91 B9R1.8 CCNC1=CC=CN=C1 AK126739 [1,0,0,0,0,0|3,0,0]=4 92 B9R1.8 CCOC1=NC=CC=C1 AK-88755 [1,0,0,0,0,0|3,0,0]=4 93 B9R1.8 CNCC1=CC=CN=C1 AK-77094 [1,0,0,0,0,0|2,0,1]=4 94 B9R1.8 CNCC1=CC=NC=C1 AK-36140 [1,0,0,0,0,0|2,0,1]=4 95 B9R1.8 CNCC1=NC=CC=C1 AK-82805 [1,0,0,0,0,0|2,0,1]=4 96 B9R1.8 CNNC1=CC=CC=C1 AK119038 [1,0,0,0,0,0|2,0,0]=3 97 B9R1.8 NOCC1=CC=CC=C1 AK-82317 [1,0,0,0,0,0|1,0,1]=3 98 B9R1.8 ONCC1=CC=CC=C1 AK-49662 [1,0,0,0,0,0|2,0,1]=4 99 B9R1.8 ONCC1=CC=CC=C1 AK110567 [1,0,0,0,0,0|2,0,1]=4 100 B11R1.7 CCC(C1=CC=CC=C1)(C)C AK-96688 [0,1,0,0,0,0|2,0,1]=4 101 B11R1.7 O=S(C1=CC=CC=C1)(C=C)=O AK-47603 [0,1,0,0,0,0|2,0,1]=4 102 B11R1.7 O=S(C1=CC=CC=C1)(CCl)=O AK116676 [0,1,0,0,0,0|3,0,0]=4 103 B11R1.12 COC(C1=CC=CC=C1)CO AK-49663 [0,1,0,0,0,0|0,0,2]=3 104 B11R1.16 C1=C(C(OCC)=O)N=CC=C1 AK-48935 [0,1,0,0,0,0|1,0,0]=2 105 B11R1.16 CCCC(C1=CC=CC=C1)=O AK164430 [0,1,0,0,0,0|1,0,0]=2 106 B11R1.16 CCCC(C1=CC=CN=C1)=O AK123326 [0,1,0,0,0,0|2,0,0]=3 107 B11R1.16 CCOC(=O)C1=NC=CC=N1 AK-85955 [0,1,0,0,0,0|2,0,0]=3 108 B11R1.16 ClCCC(O)C1=CC=CC=C1 AK-40050 [0,1,0,0,0,0|1,0,2]=4 109 B11R1.16 N#CCC(C1=CC=CC=C1)=O AK-43072 [0,1,0,0,0,0|1,0,1]=3 110 B11R1.16 N#CCC(C1=CC=NC=C1)=O AK-34281 [0,1,0,0,0,0|2,0,1]=4 111 B11R1.16 N[C@@H](C1=CC=CC=C1)CCO AK-33656 [0,1,0,0,0,0|2,0,1]=4 112 B11R1.16 O=C(C1=NC=CN=C1)OCC AK-40036 [0,1,0,0,0,0|2,0,0]=3 113 B11R1.16 O=C(OCC)C1=CC=NC=C1 AK-50699 [0,1,0,0,0,0|1,0,0]=2 114 B11R1.16 O=C(OCC)C1=CN=CC=C1 AK-88428 [0,1,0,0,0,0|1,0,0]=2 115 B11R1.16 O=C(OCCl)C1=CC=CC=C1 AK-86220 [0,1,0,0,0,0|0,0,0]=1 116 B11R1.16 OC(C1=CC=CC=C1)CCN AK206233 [0,1,0,0,0,0|1,0,2]=4 117 B11R1.16 OCCC(N)C1=CC=CC=C1 AK-33310 [0,1,0,0,0,0|2,0,1]=4 118 B11R1.16 OCC[C@H](N)C1=CC=CC=C1 AK-36482 [0,1,0,0,0,0|2,0,1]=4 119 B11R1.16 O[C@@H](C1=CC=CC=C1)CCCl AK-25234 [0,1,0,0,0,0|1,0,2]=4 120 B11R1.16 O[C@H](C1=CC=CC=C1)CCCl AK-31989 [0,1,0,0,0,0|1,0,2]=4 121 B11R1.22 BrC1=CN=C(C=N1)C(=O)OC AK-24801 [0,1,0,0,0,0|2,0,0]=3 122 B11R1.22 C1=C(C=CC(=C1)Br)C(OC)=O AK-47340 [0,1,0,0,0,0|0,0,0]=1 123 B11R1.22 C1=C(C=CC(=C1)C)C(CBr)=O AK-73063 [0,1,0,0,0,0|2,0,0]=3 124 B11R1.22 C1=C(C=CC(=C1)Cl)C(CC)=O AK-47430 [0,1,0,0,0,0|1,0,0]=2 125 B11R1.22 C1=C(C=CC(=C1)N)C(OC)=O AK-48394 [0,1,0,0,0,0|0,0,0]=1 126 B11R1.22 C1=CC(=CN=C1C(OC)=O)Br AK-25721 [0,1,0,0,0,0|1,0,0]=2 127 B11R1.22 C1=CC(=NC=C1C(OC)=O)Cl AK-32450 [0,1,0,0,0,0|1,0,0]=2 128 B11R1.22 C1=NC(=CC=C1C(=O)OC)Br AK-27762 [0,1,0,0,0,0|1,0,0]=2 129 B11R1.22 CCC(C1=CC=C(Br)C=C1)=O AK133038 [0,1,0,0,0,0|1,0,0]=2 130 B11R1.22 CCC(C1=CC=C(Br)C=C1)N AK116183 [0,1,0,0,0,0|2,0,1]=4 131 B11R1.22 CCC(C1=CC=C(F)C=C1)=O AK-77665 [0,1,0,0,0,0|1,0,0]=2 132 B11R1.22 CCC(C1=CC=C(I)C=C1)=O AK149241 [0,1,0,0,0,0|1,0,0]=2 133 B11R1.22 CCC(C1=CC=C(O)C=C1)=O AK-44068 [0,1,0,0,0,0|1,0,0]=2 134 B11R1.22 CC[C@@H](C1=CC=C(Br)C=C1)N AK607954 [0,1,0,0,0,0|2,0,1]=4 135 B11R1.22 CC[C@@H](C1=CC=C(Cl)C=C1)N AK-53923 [0,1,0,0,0,0|2,0,1]=4 136 B11R1.22 CC[C@H](C1=CC=C(Br)C=C1)N AK172711 [0,1,0,0,0,0|2,0,1]=4 137 B11R1.22 CC[C@H](C1=CC=C(C)C=C1)N AK-93290 [0,1,0,0,0,0|2,0,1]=4 138 B11R1.22 CC[C@H](C1=CC=C(Cl)C=C1)N AK133438 [0,1,0,0,0,0|2,0,1]=4 139 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 AK-42930 [0,1,0,0,0,0|1,0,0]=2 140 B11R1.22 COC(=O)C1=CC=C(Cl)C=C1 AK-57163 [0,1,0,0,0,0|0,0,0]=1 141 B11R1.22 COC(=O)C1=CN=C(Cl)N=C1 AK-25021 [0,1,0,0,0,0|2,0,0]=3 142 B11R1.22 COC(C1=NC=C(C=N1)Br)=O AK-28412 [0,1,0,0,0,0|2,0,0]=3 143 B11R1.22 C[C@@H](NC)C1=CC=C(Cl)C=C1 AK607981 [0,1,0,0,0,0|2,0,1]=4 144 B11R1.22 C[C@H](NC)C1=CC=C(Br)C=C1 AK172763 [0,1,0,0,0,0|2,0,1]=4 145 B11R1.22 C[C@H](NC)C1=CC=C(Cl)C=C1 AK607980 [0,1,0,0,0,0|2,0,1]=4 146 B11R1.22 ClC1=CC=C(C(CN)=O)C=C1 AK-27718 [0,1,0,0,0,0|2,0,0]=3 147 B11R1.22 ClC1=CC=C(C=C1)C(=O)C=O AK-10005 [0,1,0,0,0,0|2,0,0]=3 148 B11R1.22 ClC1=CC=C(N=N1)C(=O)OC AK-24016 [0,1,0,0,0,0|2,0,0]=3 149 B11R1.22 ClC1=CN=C(C=N1)C(=O)OC AK-23920 [0,1,0,0,0,0|2,0,0]=3 150 B11R1.22 FC1=CC=C(C=N1)C(=O)OC AK-40001 [0,1,0,0,0,0|1,0,0]=2 151 B11R1.22 IC1=CC=C(C(CBr)=O)C=C1 AK-25760 [0,1,0,0,0,0|2,0,0]=3 152 B11R1.22 N1C=C(C(=O)NN)C=CC1=O AK-25381 [0,1,0,0,0,0|3,0,0]=4 153 B11R1.22 NC(C1=CC=C(F)C=C1)CC AK470003 [0,1,0,0,0,0|2,0,1]=4 154 B11R1.22 NC1=CC=C(C(C)CC)C=C1 AK-76838 [0,1,0,0,0,0|2,0,1]=4 155 B11R1.22 NC1=CN=C(C=C1)C(=O)OC AK-24592 [0,1,0,0,0,0|1,0,0]=2 156 B11R1.22 NC1=NC=C(C=N1)C(=O)OC AK-21981 [0,1,0,0,0,0|2,0,0]=3 157 B11R1.22 NCC(=O)C1=CC=C(C=C1)F AK-32227 [0,1,0,0,0,0|2,0,0]=3 158 B11R1.22 NCC(=O)C1=CC=C(O)C=C1 AK101127 [0,1,0,0,0,0|2,0,0]=3 159 B11R1.22 NCC(C1=CC=C(Br)C=C1)=O AK-42272 [0,1,0,0,0,0|2,0,0]=3 160 B11R1.22 NNC(=O)C1=CC=C(F)C=C1 AK-76998 [0,1,0,0,0,0|2,0,0]=3 161 B11R1.22 N[C@@H](C1=CC=C(F)C=C1)CC AK-42100 [0,1,0,0,0,0|2,0,1]=4 162 B11R1.22 N[C@H](C1=CC=C(F)C=C1)CC AK-42091 [0,1,0,0,0,0|2,0,1]=4 163 B11R1.22 O=C(C1=CC=C(Br)C=C1)CCl AK-41703 [0,1,0,0,0,0|2,0,0]=3 164 B11R1.22 O=C(C1=CC=C(F)C=C1)C=O AK-10004 [0,1,0,0,0,0|2,0,0]=3 165 B11R1.22 O=C(C1=CN=C(Cl)N=C1)NC AK106982 [0,1,0,0,0,0|3,0,0]=4 166 B11R1.22 O=C(C1=CNC(N=C1)=O)OC AK138906 [0,1,0,0,0,0|2,0,0]=3 167 B11R1.22 O=C(C1=COC(C=C1)=O)OC AK-94193 [0,1,0,0,0,0|1,0,0]=2 168 B11R1.22 O=C(C1=NC=C(Cl)C=C1)OC AK-33121 [0,1,0,0,0,0|1,0,0]=2 169 B11R1.22 O=C(C1=NC=C(F)C=N1)OC AK128119 [0,1,0,0,0,0|2,0,0]=3 170 B11R1.22 O=C(C1=NC=C(N)N=C1)OC AK-59002 [0,1,0,0,0,0|2,0,0]=3 171 B11R1.22 O=C(C1=NC=C(O)C=C1)OC AK-48134 [0,1,0,0,0,0|1,0,0]=2 172 B11R1.22 O=C(NC)C1=CC=C(Br)C=C1 AK-86242 [0,1,0,0,0,0|1,0,0]=2 173 B11R1.22 O=C(NC)C1=CN=C(Cl)C=C1 AK-41767 [0,1,0,0,0,0|2,0,0]=3 174 B11R1.22 O=C(NN)C1=NC=C(F)C=C1 AK-97226 [0,1,0,0,0,0|3,0,0]=4 175 B11R1.22 O=C(OC)C1=CC=C(C)C=C1 AK110414 [0,1,0,0,0,0|0,0,0]=1 176 B11R1.22 O=C(OC)C1=CC=C(F)C=C1 AK-45398 [0,1,0,0,0,0|0,0,0]=1 177 B11R1.22 O=C(OC)C1=CC=C(I)C=C1 AK-45406 [0,1,0,0,0,0|0,0,0]=1 178 B11R1.22 O=C(OC)C1=CC=C(O)C=C1 AK-54335 [0,1,0,0,0,0|0,0,0]=1 179 B11R1.22 O=C(OC)C1=CN=C(C)C=C1 AK-28562 [0,1,0,0,0,0|1,0,0]=2 180 B11R1.22 O=C(OC)C1=CN=C(N)C=C1 AK-25008 [0,1,0,0,0,0|1,0,0]=2 181 B11R1.22 O=C(OC)C1=CN=C(O)C=C1 AK-26234 [0,1,0,0,0,0|1,0,0]=2 182 B11R1.22 O=C(OC)C1=NC=C(C)C=C1 AK-76225 [0,1,0,0,0,0|1,0,0]=2 183 B11R1.22 O=C1NN=C(C=C1)C(=O)OC AK-72777 [0,1,0,0,0,0|2,0,0]=3 184 B11R1.22 OC1=CC=C(C=C1)C(=O)CBr AK-34343 [0,1,0,0,0,0|2,0,0]=3 185 B11R1.22 OC1=CN=C(C=N1)C(=O)OC AK-24812 [0,1,0,0,0,0|2,0,0]=3 186 B11R1.23 BrC1=CC(=NC=C1)C(=O)OC AK-24538 [0,1,0,0,0,0|1,0,0]=2 187 B11R1.23 C1=C(C=CC=C1C(OC)=O)O AK-47384 [0,1,0,0,0,0|0,0,0]=1 188 B11R1.23 C1=C(C=CC=C1F)C(CBr)=O AK-45729 [0,1,0,0,0,0|2,0,0]=3 189 B11R1.23 C1=C(C=NC=C1C(OC)=O)Br AK-25229 [0,1,0,0,0,0|1,0,0]=2 190 B11R1.23 C1=C(C=NC=C1C)C(OC)=O AK-39649 [0,1,0,0,0,0|1,0,0]=2 191 B11R1.23 C1=C(Cl)C=CN=C1C(OC)=O AK-16616 [0,1,0,0,0,0|1,0,0]=2 192 B11R1.23 C1=C(Cl)N=CC=C1C(OC)=O AK-28605 [0,1,0,0,0,0|1,0,0]=2 193 B11R1.23 C1=C(N=CC=C1C(OC)=O)N AK-25223 [0,1,0,0,0,0|1,0,0]=2 194 B11R1.23 C1=CC=C(N=C1C(OC)=O)C AK-32150 [0,1,0,0,0,0|1,0,0]=2 195 B11R1.23 CC(NC)C1=CC=CC(Br)=C1 AK608016 [0,1,0,0,0,0|2,0,1]=4 196 B11R1.23 CC1=CC(C(CBr)=O)=CC=C1 AK-43564 [0,1,0,0,0,0|2,0,0]=3 197 B11R1.23 CCC(=O)C1=CC=CC(Cl)=C1 AK101591 [0,1,0,0,0,0|1,0,0]=2 198 B11R1.23 CCC(C1=CC=CC(F)=C1)=O AK548314 [0,1,0,0,0,0|1,0,0]=2 199 B11R1.23 CCC(C1=CC=CC(O)=C1)=O AK-45536 [0,1,0,0,0,0|1,0,0]=2 200 B11R1.23 CCC(C1=NC=CC(Cl)=C1)=O AK146218 [0,1,0,0,0,0|2,0,0]=3 201 B11R1.23 CC[C@@H](C1=CC=CC(Br)=C1)N AK687502 [0,1,0,0,0,0|2,0,1]=4 202 B11R1.23 CC[C@@H](C1=CC=CC(F)=C1)N AK134091 [0,1,0,0,0,0|2,0,1]=4 203 B11R1.23 CC[C@H](C1=CC=CC(C)=C1)N AK134022 [0,1,0,0,0,0|2,0,1]=4 204 B11R1.23 CC[C@H](C1=CC=CC(Cl)=C1)N AK153385 [0,1,0,0,0,0|2,0,1]=4 205 B11R1.23 CC[C@H](C1=CC=CC(F)=C1)N AK-42095 [0,1,0,0,0,0|2,0,1]=4 206 B11R1.23 COC(=O)C1=CC(=O)NC=C1 AK-30181 [0,1,0,0,0,0|1,0,0]=2 207 B11R1.23 COC(=O)C1=CC(Br)=NC=C1 AK-29954 [0,1,0,0,0,0|1,0,0]=2 208 B11R1.23 COC(=O)C1=CC(C)=NC=C1 AK-33626 [0,1,0,0,0,0|1,0,0]=2 209 B11R1.23 COC(=O)C1=CC=CC(=O)N1 AK-64715 [0,1,0,0,0,0|1,0,0]=2 210 B11R1.23 COC(=O)C1=CC=NC(Br)=N1 AK-76962 [0,1,0,0,0,0|2,0,0]=3 211 B11R1.23 COC(=O)C1=NC(Br)=CC=N1 AK110267 [0,1,0,0,0,0|2,0,0]=3 212 B11R1.23 COC(=O)C1=NC(C)=CC=N1 AK100031 [0,1,0,0,0,0|2,0,0]=3 213 B11R1.23 COC(=O)C1=NC=CC(C)=C1 AK-58362 [0,1,0,0,0,0|1,0,0]=2 214 B11R1.23 COC(=O)C1=NC=CC(Cl)=C1 AK-25656 [0,1,0,0,0,0|1,0,0]=2 215 B11R1.23 COC(C1=CC=CC(=N1)Br)=O AK-27818 [0,1,0,0,0,0|1,0,0]=2 216 B11R1.23 ClC1=CC(=CN=N1)C(=O)OC AK-32830 [0,1,0,0,0,0|2,0,0]=3 217 B11R1.23 ClC1=CC(C(CBr)=O)=CC=C1 AK-47073 [0,1,0,0,0,0|2,0,0]=3 218 B11R1.23 ClC1=CC=NC(=C1)C(=O)NC AK-28999 [0,1,0,0,0,0|2,0,0]=3 219 B11R1.23 ClC1=CN=CC(=N1)C(=O)OC AK-29037 [0,1,0,0,0,0|2,0,0]=3 220 B11R1.23 ClC1=NC=CC(=N1)C(=O)OC AK-33388 [0,1,0,0,0,0|2,0,0]=3 221 B11R1.23 FC1=CC=CC(=C1)C(=O)OC AK-47674 [0,1,0,0,0,0|0,0,0]=1 222 B11R1.23 NC1=CC(=CN=C1)C(=O)OC AK-28608 [0,1,0,0,0,0|1,0,0]=2 223 B11R1.23 NC1=CN=CC(=N1)C(=O)OC AK-28731 [0,1,0,0,0,0|2,0,0]=3 224 B11R1.23 NNC(=O)C1=CC(Br)=CC=C1 AK-39193 [0,1,0,0,0,0|2,0,0]=3 225 B11R1.23 NNC(=O)C1=CC(Cl)=CC=C1 AK-60929 [0,1,0,0,0,0|2,0,0]=3 226 B11R1.23 O=C(C1=CC=CC(Cl)=C1)C=O AK-10035 [0,1,0,0,0,0|2,0,0]=3 227 B11R1.23 O=C(C1=NC(Br)=CN=C1)OC AK-39151 [0,1,0,0,0,0|2,0,0]=3 228 B11R1.23 O=C(C1=NC(C)=CN=C1)OC AK130648 [0,1,0,0,0,0|2,0,0]=3 229 B11R1.23 O=C(C1=NC(Cl)=CC=C1)OC AK-51763 [0,1,0,0,0,0|1,0,0]=2 230 B11R1.23 O=C(C1=NC(N)=NC=C1)OC AK-76214 [0,1,0,0,0,0|2,0,0]=3 231 B11R1.23 O=C(C1=NC=CC(N)=C1)OC AK-36192 [0,1,0,0,0,0|1,0,0]=2 232 B11R1.23 O=C(C1=NC=NC(Br)=C1)OC AK152485 [0,1,0,0,0,0|2,0,0]=3 233 B11R1.23 O=C(C1=NC=NC(Cl)=C1)OC AK-64323 [0,1,0,0,0,0|2,0,0]=3 234 B11R1.23 O=C(C=1C=CNC(N1)=O)OC AK-76285 [0,1,0,0,0,0|2,0,0]=3 235 B11R1.23 O=C(C=1NC=NC(C1)=O)OC AK-68874 [0,1,0,0,0,0|2,0,0]=3 236 B11R1.23 O=C(NC)C1=CC=CC(N)=C1 AK-34399 [0,1,0,0,0,0|1,0,0]=2 237 B11R1.23 O=C(NC)C1=NC=CC(Cl)=C1 AK-38402 [0,1,0,0,0,0|2,0,0]=3 238 B11R1.23 O=C(NN)C1=NC(O)=CC=C1 AK467135 [0,1,0,0,0,0|3,0,0]=4 239 B11R1.23 O=C(OC)C1=CC=CC(Br)=C1 AK-73031 [0,1,0,0,0,0|0,0,0]=1 240 B11R1.23 O=C(OC)C1=CC=CC(Cl)=C1 AK117218 [0,1,0,0,0,0|0,0,0]=1 241 B11R1.23 O=C(OC)C1=CC=CC(I)=C1 AK-81947 [0,1,0,0,0,0|0,0,0]=1 242 B11R1.23 O=C(OC)C1=CC=CC(N)=C1 AK-43961 [0,1,0,0,0,0|0,0,0]=1 243 B11R1.23 O=C(OC)C1=CC=NC(F)=C1 AK-86837 [0,1,0,0,0,0|1,0,0]=2 244 B11R1.23 O=C(OC)C1=NC(F)=CC=C1 AK-87700 [0,1,0,0,0,0|1,0,0]=2 245 B11R1.23 O=C(OC)C1=NC(N)=CC=C1 AK-37656 [0,1,0,0,0,0|1,0,0]=2 246 B11R1.23 O=C(OC)C1=NC=CC(I)=C1 AK-29979 [0,1,0,0,0,0|1,0,0]=2 247 B11R1.23 O=C1C=C(C(OC)=O)CCC1 AK164521 [0,1,0,0,0,0|0,0,3]=4 248 B11R1.23 OC1=CC(=CN=C1)C(=O)OC AK-47062 [0,1,0,0,0,0|1,0,0]=2 249 B11R1.36 CC(C(C1=CC=CC=C1)=O)=O AK116651 [0,1,0,0,0,0|1,0,0]=2 250 B11R1.36 CC(C)[C@@H](C1=CC=CC=C1)N AK-42222 [0,1,0,0,0,0|2,0,1]=4 251 B11R1.36 CC(C)[C@H](C1=CC=CC=C1)N AK-41685 [0,1,0,0,0,0|2,0,1]=4 252 B11R1.36 C[C@@H](O)[C@H](N)C1=CC=CC=C1 AK608029 [0,1,0,0,0,0|2,0,1]=4 253 B11R1.36 C[C@H](O)[C@H](N)C1=CC=CC=C1 AK608030 [0,1,0,0,0,0|2,0,1]=4 254 B11R1.36 FC(F)C(=O)C1=NC=CC=C1 AK104000 [0,1,0,0,0,0|3,0,0]=4 255 B11R1.222 BrC1=CN=CN=C1C(=O)OC AK-25053 [0,1,0,0,0,0|2,0,0]=3 256 B11R1.222 BrC1=NC=CN=C1C(=O)OC AK-30735 [0,1,0,0,0,0|2,0,0]=3 257 B11R1.222 C1=C(C(=O)OC)C(=NC=C1)F AK-25162 [0,1,0,0,0,0|1,0,0]=2 258 B11R1.222 C1=CC=CC(=C1C(OC)=O)Br AK-72980 [0,1,0,0,0,0|0,0,0]=1 259 B11R1.222 C1=CC=NC(=C1C(OC)=O)Cl AK-44999 [0,1,0,0,0,0|1,0,0]=2 260 B11R1.222 C1=CC=NC(=C1C(OC)=O)N AK-27747 [0,1,0,0,0,0|1,0,0]=2 261 B11R1.222 C1=CN=C(C(=N1)C(OC)=O)N AK-29912 [0,1,0,0,0,0|2,0,0]=3 262 B11R1.222 CC1=C(C(=O)OC)C=CC=N1 AK-27990 [0,1,0,0,0,0|1,0,0]=2 263 B11R1.222 CCC(C1=CC=CC=C1Cl)=O AK-86142 [0,1,0,0,0,0|1,0,0]=2 264 B11R1.222 CCC(C1=CC=CC=C1F)N AK544261 [0,1,0,0,0,0|2,0,1]=4 265 B11R1.222 CC[C@@H](C1=CC=CC=C1F)N AK134089 [0,1,0,0,0,0|2,0,1]=4 266 B11R1.222 COC(=O)C1=C(C)N=CC=N1 AK-97091 [0,1,0,0,0,0|2,0,0]=3 267 B11R1.222 COC(=O)C1=C(C=NC=C1)I AK-23705 [0,1,0,0,0,0|1,0,0]=2 268 B11R1.222 COC(=O)C1=C(N)C=CC=C1 AK-41339 [0,1,0,0,0,0|0,0,0]=1 269 B11R1.222 COC(=O)C1=CC=NNC1=O AK100226 [0,1,0,0,0,0|2,0,0]=3 270 B11R1.222 COC(=O)C1=CN=CN=C1O AK-26014 [0,1,0,0,0,0|2,0,0]=3 271 B11R1.222 COC(=O)C1=NC=CC=C1C AK-61199 [0,1,0,0,0,0|1,0,0]=2 272 B11R1.222 ClC1=C(N=CC=C1)C(=O)OC AK-23912 [0,1,0,0,0,0|1,0,0]=2 273 B11R1.222 ClC1=NC=CN=C1C(=O)OC AK-39173 [0,1,0,0,0,0|2,0,0]=3 274 B11R1.222 FC1=CC=CC=C1C(CF)=O AK198962 [0,1,0,0,0,0|2,0,0]=3 275 B11R1.222 NC1=CC=CC=C1C(C)CC AK122191 [0,1,0,0,0,0|2,0,1]=4 276 B11R1.222 NC1=NC=NC=C1C(=O)OC AK-30806 [0,1,0,0,0,0|2,0,0]=3 277 B11R1.222 NCC(=O)C1=C(C=CC=C1)F AK-70904 [0,1,0,0,0,0|2,0,0]=3 278 B11R1.222 N[C@@H](C1=CC=CC=C1C)CC AK-42242 [0,1,0,0,0,0|2,0,1]=4 279 B11R1.222 N[C@H](C1=CC=CC=C1Cl)CC AK-42248 [0,1,0,0,0,0|2,0,1]=4 280 B11R1.222 O=C(C#N)C1=CC=CC=C1F AK154692 [0,1,0,0,0,0|2,0,0]=3 281 B11R1.222 O=C(C1=CC=CNC1=O)OC AK-28355 [0,1,0,0,0,0|1,0,0]=2 282 B11R1.222 O=C(C1=NC=CC=C1Br)OC AK-28556 [0,1,0,0,0,0|1,0,0]=2 283 B11R1.222 O=C(C1=NC=CC=C1F)OC AK-30151 [0,1,0,0,0,0|1,0,0]=2 284 B11R1.222 O=C(C1=NC=CC=C1O)OC AK-26201 [0,1,0,0,0,0|1,0,0]=2 285 B11R1.222 O=C(C1=NC=CN=C1I)OC AK-30597 [0,1,0,0,0,0|2,0,0]=3 286 B11R1.222 O=C(NC)C1=CC=CC=C1N AK-26614 [0,1,0,0,0,0|1,0,0]=2 287 B11R1.222 O=C(NN)C1=CC=CC=C1O AK167835 [0,1,0,0,0,0|2,0,0]=3 288 B11R1.222 O=C(OC)C1=C(O)N=CC=C1 AK-54451 [0,1,0,0,0,0|1,0,0]=2 289 B11R1.222 O=C(OC)C1=CC=CC=C1C AK174020 [0,1,0,0,0,0|0,0,0]=1 290 B11R1.222 O=C(OC)C1=CC=CC=C1Cl AK161838 [0,1,0,0,0,0|0,0,0]=1 291 B11R1.222 O=C(OC)C1=CC=CC=C1I AK-76653 [0,1,0,0,0,0|0,0,0]=1 292 B11R1.222 O=C(OC)C1=CC=CC=C1S AK554462 [0,1,0,0,0,0|0,0,0]=1 293 B11R1.222 O=C(OC)C1=CC=NC=C1Br AK-46004 [0,1,0,0,0,0|1,0,0]=2 294 B11R1.222 O=C(OC)C1=CC=NC=C1N AK-28029 [0,1,0,0,0,0|1,0,0]=2 295 B11R1.222 O=C(OC)C1=CC=NC=C1O AK-49202 [0,1,0,0,0,0|1,0,0]=2 296 B11R1.222 O=C(OC)C1=CN=CC=C1C AK-39773 [0,1,0,0,0,0|1,0,0]=2 297 B11R1.222 O=C(OC)C1=CN=CC=C1N AK-25475 [0,1,0,0,0,0|1,0,0]=2 298 B11R1.222 O=C(OC)C1=NC=CC=C1N AK-29219 [0,1,0,0,0,0|1,0,0]=2 299 B11R1.222 OC1=CC=CC=C1C(NO)=O AK-48843 [0,1,0,0,0,0|2,0,0]=3 300 B11R1.222 OC1=NC=CN=C1C(=O)OC AK-39232 [0,1,0,0,0,0|2,0,0]=3 301 B11R2.1 BrC1=COC2=C1C=CC=C2 AK-90311 [0,0,0,1,0,0|3,0,0]=4 302 B11R2.1 BrC1=CSC2=C1C=CC=C2 AK-27164 [0,0,0,1,0,0|3,0,0]=4 303 B11R2.1 BrC1=NNC2=C1C=CC=C2 AK-23691 [0,0,0,1,0,0|3,0,0]=4 304 B11R2.1 C1=C(C2=CC=CC=C2[NH]1)C AK-68243 [0,0,0,1,0,0|3,0,0]=4 305 B11R2.1 C1=CC=CC2=C([NH]N=C12)Cl AK-25715 [0,0,0,1,0,0|3,0,0]=4 306 B11R2.1 C1=CC=CC2=C1C(=NS2)N AK-26866 [0,0,0,1,0,0|3,0,0]=4 307 B11R2.1 C1=CC=CC2=C1C(=N[NH]2)N AK-26928 [0,0,0,1,0,0|3,0,0]=4 308 B11R2.1 C1=CC=CC2=C1C(CC2)=O AK-44115 [0,0,0,1,0,0|1,0,0]=2 309 B11R2.1 C1=CC=CC2=C1C(CO2)=O AK-45365 [0,0,0,1,0,0|2,0,0]=3 310 B11R2.1 CC1=CCC2=CC=CC=C12 AK-79878 [0,0,0,1,0,0|2,0,0]=3 311 B11R2.1 CC1=N[NH]C2=CC=CC=C12 AK-24403 [0,0,0,1,0,0|3,0,0]=4 312 B11R2.1 ClC1=NOC2=C1C=CC=C2 AK-24058 [0,0,0,1,0,0|3,0,0]=4 313 B11R2.1 ClC1=NSC2=CC=CC=C12 AK-37779 [0,0,0,1,0,0|3,0,0]=4 314 B11R2.1 IC1=NNC2=C1C=CC=C2 AK-24807 [0,0,0,1,0,0|3,0,0]=4 315 B11R2.1 NC1=NCC2=C1C=CC=C2 AK166973 [0,0,0,1,0,0|2,0,0]=3 316 B11R2.1 NC1CCC2=C1C=CC=C2 AK-44750 [0,0,0,1,0,0|2,0,1]=4 317 B11R2.1 NC1CCC2=CC=CC=C12 AK-96028 [0,0,0,1,0,0|2,0,1]=4 318 B11R2.1 N[C@@H]1CCC2=C1C=CC=C2 AK-44891 [0,0,0,1,0,0|2,0,1]=4 319 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 AK-89530 [0,0,0,1,0,0|2,0,1]=4 320 B11R2.1 O1C2=C(C(=N1)N)C=CC=C2 AK-23544 [0,0,0,1,0,0|3,0,0]=4 321 B11R2.1 O=C1C2=CC=CC=C2SC1 AK-29817 [0,0,0,1,0,0|2,0,0]=3 322 B11R2.1 O=C1CCC2=CC=CN=C21 AK-29125 [0,0,0,1,0,0|2,0,0]=3 323 B11R2.1 O=C1NCC2=C1C=CC=C2 AK-68456 [0,0,0,1,0,0|1,0,0]=2 324 B11R2.1 O=C1NCC2=C1C=CC=N2 AK103949 [0,0,0,1,0,0|2,0,0]=3 325 B11R2.1 O=C1NCC2=C1C=CN=C2 AK173131 [0,0,0,1,0,0|2,0,0]=3 326 B11R2.1 O=C1NNC2=C1C=CC=N2 AK-30879 [0,0,0,1,0,0|3,0,0]=4 327 B11R2.1 O=C1NNC2=C1C=CN=C2 AK100133 [0,0,0,1,0,0|3,0,0]=4 328 B11R2.1 O=C1OCC2=C1C=CC=C2 AK-78719 [0,0,0,1,0,0|0,0,0]=1 329 B11R2.1 O=C1OCC2=NC=CC=C12 AK-45766 [0,0,0,1,0,0|1,0,0]=2 330 B11R2.1 OC1=NNC2=C1C=CC=C2 AK136349 [0,0,0,1,0,0|2,0,1]=4 331 B11R2.1 OC1CCC2=C1C=CC=C2 AK151987 [0,0,0,1,0,0|1,0,2]=4 332 B11R2.1 S1C=C(C2=C1C=CC=C2)N AK-28603 [0,0,0,1,0,0|3,0,0]=4 333 B11R2.40 NC1(C2=CC=CC=C2)CC1 AK-30570 [0,0,0,1,0,0|2,0,1]=4 334 B9R1.11 BrCC(=O)C1=CC=CS1 AK-53454 [0,0,0,0,1,0|3,0,0]=4 335 B9R1.11 C1=C(C(=O)OC)SC=N1 AK-29865 [0,0,0,0,1,0|2,0,0]=3 336 B9R1.11 CCC(C1=NC=CS1)=O AK113134 [0,0,0,0,1,0|3,0,0]=4 337 B9R1.11 COC(=O)C1=CNC=C1 AK-39320 [0,0,0,0,1,0|1,0,0]=2 338 B9R1.11 COC(=O)C1=COC=N1 AK100835 [0,0,0,0,1,0|2,0,0]=3 339 B9R1.11 COC(=O)C1=NC=CO1 AK109950 [0,0,0,0,1,0|2,0,0]=3 340 B9R1.11 O=C(C1=CC=CN1)OC AK-27729 [0,0,0,0,1,0|1,0,0]=2 341 B9R1.11 O=C(C1=CC=CS1)OC AK-48323 [0,0,0,0,1,0|1,0,0]=2 342 B9R1.11 O=C(C1=CCCC1)OC AK-39180 [0,0,0,0,1,0|0,0,3]=4 343 B9R1.11 O=C(C1=CN=CN1)OC AK-25496 [0,0,0,0,1,0|2,0,0]=3 344 B9R1.11 O=C(C1=CN=CN1)OC AK-40808 [0,0,0,0,1,0|2,0,0]=3 345 B9R1.11 O=C(C1=CNN=C1)OC AK-65272 [0,0,0,0,1,0|2,0,0]=3 346 B9R1.11 O=C(C1=CSC=C1)OC AK-48045 [0,0,0,0,1,0|1,0,0]=2 347 B9R1.11 O=C(C1=CSC=N1)OC AK-21853 [0,0,0,0,1,0|2,0,0]=3 348 B9R1.11 O=C(C1=NC=CN1)OC AK-59662 [0,0,0,0,1,0|2,0,0]=3 349 B9R1.11 O=C(C1=NC=CS1)OC AK-50497 [0,0,0,0,1,0|2,0,0]=3 350 B9R1.11 O=C(C1=NNC=C1)OC AK-31981 [0,0,0,0,1,0|2,0,0]=3 351 B9R1.11 O=C(C1=NNC=N1)OC AK-30559 [0,0,0,0,1,0|3,0,0]=4 352 B11R1.40 C=CC(NC1=CC=CC=C1)=O AK122185 [0,0,0,0,0,1|1,0,1]=3 353 B11R1.40 ClCC(=O)NC1=CC=NC=C1 AK109595 [0,0,0,0,0,1|3,0,0]=4 354 B11R1.40 NNC(=O)CC1=CC=CC=C1 AK-77117 [0,0,0,0,0,1|2,0,0]=3 355 B11R1.40 O=C(NC)CC1=CC=CN=C1 AK175433 [0,0,0,0,0,1|2,0,0]=3 356 B11R1.40 O=C(NC1=CC=CC=C1)CCl AK-95957 [0,0,0,0,0,1|2,0,0]=3 357 B11R1.40 O=C(NC1=NC=CC=C1)CCl AK-32350 [0,0,0,0,0,1|3,0,0]=4 358 B11R1.40 O=C(NN)CC1=CC=NC=C1 AK110454 [0,0,0,0,0,1|3,0,0]=4 359 B11R1.40 O=C(OC)CC1=CC=CC=C1 AK163377 [0,0,0,0,0,1|0,0,0]=1 360 B11R1.40 O=C(OC)CC1=NC=CN=C1 AK-45166 [0,0,0,0,0,1|2,0,0]=3 361 B11R1.40 O=C(OC)CC1=NC=NC=C1 AK-47129 [0,0,0,0,0,1|2,0,0]=3 362 B11R1.40 O=C(OC)OC1=CC=CC=C1 AK600729 [0,0,0,0,0,1|0,0,0]=1 363 B11R1.40 O=C(OC1=CC=CC=C1)CBr AK105971 [0,0,0,0,0,1|2,0,0]=3 364 B8R1.2 C1=CN=CC=C1OC AK-54547 [2,0,0,0,0,0|1,0,0]=3 365 B8R1.2 CC[N+]1=CC=CC=C1 AK607939 [2,0,0,0,0,0|1,0,1]=4 366 B8R1.2 CNC1=CC=CN=C1 AK-72893 [2,0,0,0,0,0|2,0,0]=4 367 B8R1.2 COC1=CC=CN=C1 AK-76565 [2,0,0,0,0,0|1,0,0]=3 368 B8R1.2 COC1=CC=CN=N1 AK-28954 [2,0,0,0,0,0|2,0,0]=4 369 B8R1.2 COC1=CN=CN=C1 AK-31068 [2,0,0,0,0,0|2,0,0]=4 370 B8R1.2 ICC1=CC=CC=C1 AK-54444 [2,0,0,0,0,0|1,0,1]=4 371 B8R1.2 N#CC1=CC=CC=C1 AK-49389 [2,0,0,0,0,0|1,0,1]=4 372 B8R1.2 N1=CN=C(C=C1)C=O AK-23925 [2,0,0,0,0,0|2,0,0]=4 373 B8R1.2 N1=CN=CC(=C1)C=O AK-25240 [2,0,0,0,0,0|2,0,0]=4 374 B8R1.2 NNC1=CC=CC=C1 AK114548 [2,0,0,0,0,0|2,0,0]=4 375 B8R1.2 NOC1=CC=CC=C1 AK-77703 [2,0,0,0,0,0|1,0,0]=3 376 B8R1.2 O=CC1=CC=NC=C1 AK-50192 [2,0,0,0,0,0|1,0,0]=3 377 B8R1.2 OCC1=CC=CN=C1 AK-46173 [2,0,0,0,0,0|1,0,1]=4 378 B8R1.2 OCC1=CC=NC=C1 AK-44706 [2,0,0,0,0,0|1,0,1]=4 379 B8R1.2 OCC1=CC=NC=C1 AK175384 [2,0,0,0,0,0|1,0,1]=4 380 B8R1.2 OCC1=NC=CC=C1 AK-53905 [2,0,0,0,0,0|1,0,1]=4 381 B8R1.2 ONC1=CC=CC=C1 AK139965 [2,0,0,0,0,0|1,0,0]=3 382 B10R1.13 BrC1=CN=C(C=N1)C(=O)O AK-24192 [1,1,0,0,0,0|2,0,0]=4 383 B10R1.13 BrC1=CN=C(N=C1)C(=O)O AK-21808 [1,1,0,0,0,0|2,0,0]=4 384 B10R1.13 C(C)(=O)C1=CC=C(N=C1)Br AK-25404 [1,1,0,0,0,0|1,0,0]=3 385 B10R1.13 C1=C(B(O)O)C=CC(=C1)C AK-39805 [1,1,0,0,0,0|1,0,1]=4 386 B10R1.13 C1=C(C(=N)N)C=CC(=C1)Cl AK-49053 [1,1,0,0,0,0|2,0,0]=4 387 B10R1.13 C1=C(C(C)C)C=CC(=C1)Br AK-47451 [1,1,0,0,0,0|1,0,1]=4 388 B10R1.13 C1=C(C=CC(=C1)Br)B(O)O AK-44722 [1,1,0,0,0,0|1,0,1]=4 389 B10R1.13 C1=C(C=CC(=C1)F)B(O)O AK-46490 [1,1,0,0,0,0|1,0,1]=4 390 B10R1.13 C1=C(C=CC(=C1)O)B(O)O AK-44804 [1,1,0,0,0,0|1,0,1]=4 391 B10R1.13 C1=C(C=NC(=C1)N)C(=O)O AK-25111 [1,1,0,0,0,0|1,0,0]=3 392 B10R1.13 C1=C(N(C)C)C=CC(=C1)Br AK-47628 [1,1,0,0,0,0|2,0,0]=4 393 B10R1.13 C1=C(N=CC(=C1)C(C)=O)C AK-25853 [1,1,0,0,0,0|1,0,0]=3 394 B10R1.13 C1=CC(=CC=C1C(C)=O)F AK-41690 [1,1,0,0,0,0|0,0,0]=2 395 B10R1.13 C1=CC(=CC=C1C(N)=O)F AK-47676 [1,1,0,0,0,0|1,0,0]=3 396 B10R1.13 C1=CC(=CC=C1C(O)=O)Br AK-50463 [1,1,0,0,0,0|0,0,0]=2 397 B10R1.13 C1=CC(=CC=C1C(O)=O)F AK-73077 [1,1,0,0,0,0|0,0,0]=2 398 B10R1.13 C1=CC(=CN=C1C(O)=O)C AK-27814 [1,1,0,0,0,0|1,0,0]=3 399 B10R1.13 C1=CC(=NC=C1C(N)=O)C AK-48877 [1,1,0,0,0,0|2,0,0]=4 400 B10R1.13 C1=NC(=CC=C1C(=O)O)F AK-25936 [1,1,0,0,0,0|1,0,0]=3 401 B10R1.13 C1=NC(=CN=C1C(=O)O)Cl AK-24710 [1,1,0,0,0,0|2,0,0]=4 402 B10R1.13 CC(=O)C1=CC=C(N)N=C1 AK-67650 [1,1,0,0,0,0|1,0,0]=3 403 B10R1.13 CC(Br)C1=CC=C(F)C=C1 AK-94758 [1,1,0,0,0,0|1,0,1]=4 404 B10R1.13 CC(C1=CC=C(Br)C=C1)=O AK124422 [1,1,0,0,0,0|0,0,0]=2 405 B10R1.13 CC(C1=CC=C(C)C=C1)=O AK-41305 [1,1,0,0,0,0|0,0,0]=2 406 B10R1.13 CC(C1=CC=C(F)N=C1)=O AK-29672 [1,1,0,0,0,0|1,0,0]=3 407 B10R1.13 CC(C1=CC=C(N)C=C1)=O AK110424 [1,1,0,0,0,0|0,0,0]=2 408 B10R1.13 CC(C1=CC=C(O)C=C1)=O AK-86441 [1,1,0,0,0,0|0,0,0]=2 409 B10R1.13 CC(C1=CC=C(O)N=C1)=O AK-40333 [1,1,0,0,0,0|1,0,0]=3 410 B10R1.13 CC(C1=CN=C(Cl)N=C1)=O AK135579 [1,1,0,0,0,0|2,0,0]=4 411 B10R1.13 CC(C1=NC=C(Br)C=C1)=O AK-28454 [1,1,0,0,0,0|1,0,0]=3 412 B10R1.13 CC(C1=NC=C(Br)C=N1)=O AK129384 [1,1,0,0,0,0|2,0,0]=4 413 B10R1.13 CC(C1=NC=C(Cl)C=C1)=O AK-77099 [1,1,0,0,0,0|1,0,0]=3 414 B10R1.13 CC(C1=NC=C(Cl)N=C1)=O AK-42149 [1,1,0,0,0,0|2,0,0]=4 415 B10R1.13 CC(C1=NC=C(O)C=C1)=O AK116053 [1,1,0,0,0,0|1,0,0]=3 416 B10R1.13 CC(C1=NC=C(O)N=C1)=O AK134806 [1,1,0,0,0,0|2,0,0]=4 417 B10R1.13 CC(N)C1=CC=C(I)C=C1 AK-77292 [1,1,0,0,0,0|1,0,1]=4 418 B10R1.13 CC(O)C1=CC=C(Br)C=C1 AK117026 [1,1,0,0,0,0|0,0,2]=4 419 B10R1.13 CC(O)C1=CC=C(N)C=C1 AK109742 [1,1,0,0,0,0|0,0,2]=4 420 B10R1.13 CC1=CC=C(S(O)=O)C=C1 AK-46949 [1,1,0,0,0,0|1,0,0]=3 421 B10R1.13 CC1=NC=C(C=N1)C(=O)O AK-25207 [1,1,0,0,0,0|2,0,0]=4 422 B10R1.13 CN(C)C1=CC=C(C=C1)I AK101968 [1,1,0,0,0,0|2,0,0]=4 423 B10R1.13 CN(C)C1=CC=C(Cl)C=C1 AK136579 [1,1,0,0,0,0|2,0,0]=4 424 B10R1.13 CN(C)C1=CC=C(O)C=C1 AK-64702 [1,1,0,0,0,0|2,0,0]=4 425 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 AK-45030 [1,1,0,0,0,0|1,0,1]=4 426 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 AK-89611 [1,1,0,0,0,0|1,0,1]=4 427 B10R1.13 C[C@@H](N)C1=CC=C(I)C=C1 AK-43006 [1,1,0,0,0,0|1,0,1]=4 428 B10R1.13 C[C@@H](O)C1=CC=C(Br)C=C1 AK-79215 [1,1,0,0,0,0|0,0,2]=4 429 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 AK-34471 [1,1,0,0,0,0|1,0,1]=4 430 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 AK548805 [1,1,0,0,0,0|1,0,1]=4 431 B10R1.13 C[C@H](O)C1=CC=C(Br)C=C1 AK-79189 [1,1,0,0,0,0|0,0,2]=4 432 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 AK-79216 [1,1,0,0,0,0|0,0,2]=4 433 B10R1.13 ClC1=CC=C(B(O)O)C=C1 AK-26616 [1,1,0,0,0,0|1,0,1]=4 434 B10R1.13 ClC1=CC=C(C(C)=O)C=N1 AK-26129 [1,1,0,0,0,0|1,0,0]=3 435 B10R1.13 ClC1=CC=C(N=C1)C(=O)O AK-26702 [1,1,0,0,0,0|1,0,0]=3 436 B10R1.13 ClC1=CC=C(N=N1)C(=O)O AK-23862 [1,1,0,0,0,0|2,0,0]=4 437 B10R1.13 FC1=CC=C(N=C1)C(=O)O AK-28724 [1,1,0,0,0,0|1,0,0]=3 438 B10R1.13 IC1=CC=C(B(O)O)C=C1 AK-24763 [1,1,0,0,0,0|1,0,1]=4 439 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 AK-89169 [1,1,0,0,0,0|2,0,0]=4 440 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 AK107083 [1,1,0,0,0,0|2,0,0]=4 441 B10R1.13 N=C(N)C1=CC=C(F)C=C1 AK-35244 [1,1,0,0,0,0|2,0,0]=4 442 B10R1.13 N=C(N)C1=CC=C(N)C=C1 AK-34349 [1,1,0,0,0,0|2,0,0]=4 443 B10R1.13 N=C(N)C1=CC=C(O)C=C1 AK-16801 [1,1,0,0,0,0|2,0,0]=4 444 B10R1.13 NC(=O)C1=CC=C(Br)C=C1 AK-76760 [1,1,0,0,0,0|1,0,0]=3 445 B10R1.13 NC1=CC=C(B(O)O)C=C1 AK-44817 [1,1,0,0,0,0|1,0,1]=4 446 B10R1.13 NC1=CC=C([N+]([O-])=O)C=C1 AK136006 [1,1,0,0,0,0|1,0,1]=4 447 B10R1.13 NC1=CN=C(C=C1)C(=O)O AK-25651 [1,1,0,0,0,0|1,0,0]=3 448 B10R1.13 NC1=CN=C(N=C1)C(O)=O AK-29407 [1,1,0,0,0,0|2,0,0]=4 449 B10R1.13 NC1=NC=C(N=C1)C(=O)O AK-24195 [1,1,0,0,0,0|2,0,0]=4 450 B10R1.13 N[C@@H](C1=CC=C(Br)C=C1)C AK-35249 [1,1,0,0,0,0|1,0,1]=4 451 B10R1.13 N[C@@H](C1=CC=C(C)C=C1)C AK-45033 [1,1,0,0,0,0|1,0,1]=4 452 B10R1.13 N[C@H](C1=CC=C(F)C=C1)C AK-98664 [1,1,0,0,0,0|1,0,1]=4 453 B10R1.13 O=C(C1=CC=C(Cl)N=C1)N AK-44668 [1,1,0,0,0,0|2,0,0]=4 454 B10R1.13 O=C(C1=CN=C(Cl)N=C1)O AK-25020 [1,1,0,0,0,0|2,0,0]=4 455 B10R1.13 O=C(C1=CN=C(N)N=C1)O AK-17303 [1,1,0,0,0,0|2,0,0]=4 456 B10R1.13 O=C(C1=CN=C(O)N=C1)O AK-55017 [1,1,0,0,0,0|2,0,0]=4 457 B10R1.13 O=C(C1=CNC(C=N1)=O)O AK-24756 [1,1,0,0,0,0|2,0,0]=4 458 B10R1.13 O=C(C1=NC=C(Br)C=C1)N AK-36812 [1,1,0,0,0,0|2,0,0]=4 459 B10R1.13 O=C(C1=NC=C(Br)C=C1)O AK-25747 [1,1,0,0,0,0|1,0,0]=3 460 B10R1.13 O=C(C1=NC=C(C)C=N1)O AK-29650 [1,1,0,0,0,0|2,0,0]=4 461 B10R1.13 O=C(C1=NC=C(N)C=C1)N AK-40127 [1,1,0,0,0,0|2,0,0]=4 462 B10R1.13 O=C(C1=NC=C(O)C=N1)O AK-40704 [1,1,0,0,0,0|2,0,0]=4 463 B10R1.13 O=C(C1=NN=C(N)C=C1)O AK-26163 [1,1,0,0,0,0|2,0,0]=4 464 B10R1.13 O=C(C1=NN=C(O)C=C1)O AK-25880 [1,1,0,0,0,0|2,0,0]=4 465 B10R1.13 O=C(C1=NN=C(O)C=C1)O AK601861 [1,1,0,0,0,0|2,0,0]=4 466 B10R1.13 O=C(N)C1=CC=C(Cl)C=C1 AK113058 [1,1,0,0,0,0|1,0,0]=3 467 B10R1.13 O=C(N)C1=CC=C(N)C=C1 AK151254 [1,1,0,0,0,0|1,0,0]=3 468 B10R1.13 O=C(N)C1=CC=C(O)C=C1 AK151255 [1,1,0,0,0,0|1,0,0]=3 469 B10R1.13 O=C(N)C1=CN=C(Br)C=C1 AK-41744 [1,1,0,0,0,0|2,0,0]=4 470 B10R1.13 O=C(N)C1=CN=C(N)C=C1 AK161454 [1,1,0,0,0,0|2,0,0]=4 471 B10R1.13 O=C(N)C1=NC=C(Cl)C=C1 AK142780 [1,1,0,0,0,0|2,0,0]=4 472 B10R1.13 O=C(N)C1=NC=C(F)C=C1 AK110171 [1,1,0,0,0,0|2,0,0]=4 473 B10R1.13 O=C(O)C1=CC=C(C)C=C1 AK106262 [1,1,0,0,0,0|0,0,0]=2 474 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 AK-44086 [1,1,0,0,0,0|0,0,0]=2 475 B10R1.13 O=C(O)C1=CC=C(I)C=C1 AK-73094 [1,1,0,0,0,0|0,0,0]=2 476 B10R1.13 O=C(O)C1=CC=C(N)C=C1 AK-41178 [1,1,0,0,0,0|0,0,0]=2 477 B10R1.13 O=C(O)C1=CC=C(O)C=C1 AK106263 [1,1,0,0,0,0|0,0,0]=2 478 B10R1.13 O=C(O)C1=CN=C(C)C=C1 AK-29149 [1,1,0,0,0,0|1,0,0]=3 479 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 AK-26081 [1,1,0,0,0,0|1,0,0]=3 480 B10R1.13 O=C(O)C1=CNC(C=C1)=O AK-26034 [1,1,0,0,0,0|1,0,0]=3 481 B10R1.13 O=C(O)C1=NC=C(O)C=C1 AK-24769 [1,1,0,0,0,0|1,0,0]=3 482 B10R1.13 O=C([O-])C1=CC=C(N)C=C1 AK116649 [1,1,0,0,0,0|0,0,1]=3 483 B10R1.13 O=C([O-])C1=CC=C(O)C=C1 AK306852 [1,1,0,0,0,0|0,0,1]=3 484 B10R1.13 O=C1C=CC(C(O)=O)=CO1 AK-46024 [1,1,0,0,0,0|1,0,0]=3 485 B10R1.13 O=S(C1=CC=C(C)C=C1)O AK143296 [1,1,0,0,0,0|1,0,0]=3 486 B10R1.13 O=S(C1=CC=C(C)C=C1)[O-] AK106973 [1,1,0,0,0,0|1,0,1]=4 487 B10R1.13 O=S(C1=CC=C(F)C=C1)[O-] AK114760 [1,1,0,0,0,0|1,0,1]=4 488 B10R1.13 O=[S@@](C1=CC=C(C)C=C1)N AK-81446 [1,1,0,0,0,0|2,0,0]=4 489 B10R1.13 OB(C1=CC=C(S)C=C1)O AK-41540 [1,1,0,0,0,0|1,0,1]=4 490 B10R1.13 OC(=O)C1=CC=C(Br)N=C1 AK-26208 [1,1,0,0,0,0|1,0,0]=3 491 B10R1.13 OC(=O)C1=NC=C(Cl)C=N1 AK-64297 [1,1,0,0,0,0|2,0,0]=4 492 B10R1.13 OC(=O)C1=NC=C(I)C=C1 AK-29144 [1,1,0,0,0,0|1,0,0]=3 493 B10R1.13 OC1=CC=C(C(=S)N)C=C1 AK-21819 [1,1,0,0,0,0|1,1,0]=4 494 B10R1.13 OC1=CC=C(C(C)=C)C=C1 AK117164 [1,1,0,0,0,0|1,0,0]=3 495 B10R1.13 OC1=CC=C(C(O)C)C=C1 AK-45202 [1,1,0,0,0,0|0,0,2]=4 496 B10R1.13 OC1=CC=C(N(C)C)C=C1 AK103764 [1,1,0,0,0,0|2,0,0]=4 497 B10R1.13 OC1=CC=C([C@H](N)C)C=C1 AK608003 [1,1,0,0,0,0|1,0,1]=4 498 B10R1.28 C1=C([S](O)(=O)=O)C=CC=C1 AK-51336 [1,1,0,0,0,0|1,0,0]=3 499 B10R1.28 CC(N)(C1=CC=CC=C1)C AK116559 [1,1,0,0,0,0|1,0,1]=4 500 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 AK-59630 [1,1,0,0,0,0|2,0,0]=4 501 B10R1.28 O=S(C1=CC=CC=C1)(N)=O AK-77414 [1,1,0,0,0,0|1,0,1]=4 502 B10R1.28 O=S(C1=CC=CN=C1)(O)=O AK-47361 [1,1,0,0,0,0|2,0,0]=4 503 B10R1.61 BrC1=C(C(=O)N)C=CN=C1 AK-29834 [1,1,0,0,0,0|2,0,0]=4 504 B10R1.61 BrC1=C(C=CN=C1)C(=O)O AK-23517 [1,1,0,0,0,0|1,0,0]=3 505 B10R1.61 BrC1=CC=CN=C1C(=O)O AK-25745 [1,1,0,0,0,0|1,0,0]=3 506 B10R1.61 BrC1=CN=CN=C1C(=O)O AK-23815 [1,1,0,0,0,0|2,0,0]=4 507 B10R1.61 BrC1=NC=CN=C1C(=O)O AK-30736 [1,1,0,0,0,0|2,0,0]=4 508 B10R1.61 C1=C(C(=CC=C1)B(O)O)O AK-45876 [1,1,0,0,0,0|1,0,1]=4 509 B10R1.61 C1=C(C(=NC=C1)Cl)C(N)=O AK-39181 [1,1,0,0,0,0|2,0,0]=4 510 B10R1.61 C1=C(C(=NC=C1)Cl)C(O)=O AK-27015 [1,1,0,0,0,0|1,0,0]=3 511 B10R1.61 C1=C(C(=NC=C1)F)C(O)=O AK-25163 [1,1,0,0,0,0|1,0,0]=3 512 B10R1.61 C1=CC(=C(C=C1)N(C)C)N AK-65098 [1,1,0,0,0,0|2,0,0]=4 513 B10R1.61 C1=CC=CC(=C1B(O)O)Br AK-34317 [1,1,0,0,0,0|1,0,1]=4 514 B10R1.61 C1=CC=CC(=C1B(O)O)C AK-33581 [1,1,0,0,0,0|1,0,1]=4 515 B10R1.61 C1=CC=CC(=C1C(C)=O)Br AK-48030 [1,1,0,0,0,0|0,0,0]=2 516 B10R1.61 C1=CC=CC(=C1C(C)=O)N AK-27106 [1,1,0,0,0,0|0,0,0]=2 517 B10R1.61 C1=CC=CC(=C1C(O)=O)F AK-40433 [1,1,0,0,0,0|0,0,0]=2 518 B10R1.61 C1=CC=CC(=C1O)C(=O)C AK-44482 [1,1,0,0,0,0|0,0,0]=2 519 B10R1.61 C1=CC=NC(=C1C)C(O)=O AK-26613 [1,1,0,0,0,0|1,0,0]=3 520 B10R1.61 C1=CN=C(C(=C1)C(=O)N)F AK-25200 [1,1,0,0,0,0|2,0,0]=4 521 B10R1.61 C1=CN=C(C(=N1)C(O)=O)N AK-16902 [1,1,0,0,0,0|2,0,0]=4 522 B10R1.61 C1=CN=CC(=C1C(=O)O)F AK-25903 [1,1,0,0,0,0|1,0,0]=3 523 B10R1.61 C1=NC=CC(=C1C(O)=O)C AK-34679 [1,1,0,0,0,0|1,0,0]=3 524 B10R1.61 CC(=O)C1=C(Br)C=NC=N1 AK-31153 [1,1,0,0,0,0|2,0,0]=4 525 B10R1.61 CC(=O)C1=C(C)N=CC=N1 AK-89662 [1,1,0,0,0,0|2,0,0]=4 526 B10R1.61 CC(=O)C1=C(I)C=CC=C1 AK-84650 [1,1,0,0,0,0|0,0,0]=2 527 B10R1.61 CC(=O)C1=CC=CN=C1F AK-36408 [1,1,0,0,0,0|1,0,0]=3 528 B10R1.61 CC(=O)C1=CC=CN=C1N AK-61895 [1,1,0,0,0,0|1,0,0]=3 529 B10R1.61 CC(=O)C1=NC=CC=C1F AK-36671 [1,1,0,0,0,0|1,0,0]=3 530 B10R1.61 CC(C1=C(O)C=NC=C1)=O AK-68365 [1,1,0,0,0,0|1,0,0]=3 531 B10R1.61 CC(C1=CC=CC=C1Br)C AK-80369 [1,1,0,0,0,0|1,0,1]=4 532 B10R1.61 CC(C1=CC=CC=C1C)=O AK-76969 [1,1,0,0,0,0|0,0,0]=2 533 B10R1.61 CC(C1=CC=CC=C1F)=O AK-44672 [1,1,0,0,0,0|0,0,0]=2 534 B10R1.61 CC(C1=CC=CC=C1I)C AK113600 [1,1,0,0,0,0|1,0,1]=4 535 B10R1.61 CC(C1=CC=CN=C1C)=O AK-60286 [1,1,0,0,0,0|1,0,0]=3 536 B10R1.61 CC(C1=NC=CC=C1Br)=O AK-91392 [1,1,0,0,0,0|1,0,0]=3 537 B10R1.61 CC(C1=NC=CC=C1Cl)=O AK128527 [1,1,0,0,0,0|1,0,0]=3 538 B10R1.61 CC(C1=NC=CC=C1O)=O AK-57786 [1,1,0,0,0,0|1,0,0]=3 539 B10R1.61 CC(N)C1=CC=CC=C1Br AK548207 [1,1,0,0,0,0|1,0,1]=4 540 B10R1.61 CC(N)C1=CC=CC=C1Cl AK-78769 [1,1,0,0,0,0|1,0,1]=4 541 B10R1.61 CC(N)C1=CC=CC=C1Cl AK133214 [1,1,0,0,0,0|1,0,1]=4 542 B10R1.61 CC(N)C1=CC=CC=C1F AK-78757 [1,1,0,0,0,0|1,0,1]=4 543 B10R1.61 CC1=C(C(=O)N)C=CC=N1 AK-39636 [1,1,0,0,0,0|2,0,0]=4 544 B10R1.61 CC1=C(C(=O)O)C=CC=N1 AK-25768 [1,1,0,0,0,0|1,0,0]=3 545 B10R1.61 CC1=C(C=NC=N1)C(O)=O AK-32530 [1,1,0,0,0,0|2,0,0]=4 546 B10R1.61 CC1=NC=CN=C1C(=O)O AK-25946 [1,1,0,0,0,0|2,0,0]=4 547 B10R1.61 CN(C)C1=C(O)C=CC=C1 AK-49738 [1,1,0,0,0,0|2,0,0]=4 548 B10R1.61 CN(C)C1=CC=CC=C1Br AK-86039 [1,1,0,0,0,0|2,0,0]=4 549 B10R1.61 C[C@@H](N)C1=CC=CC=C1Br AK114068 [1,1,0,0,0,0|1,0,1]=4 550 B10R1.61 C[C@@H](N)C1=CC=CC=C1Br AK155333 [1,1,0,0,0,0|1,0,1]=4 551 B10R1.61 C[C@@H](N)C1=CC=CC=C1C AK-45079 [1,1,0,0,0,0|1,0,1]=4 552 B10R1.61 C[C@@H](N)C1=CC=CC=C1Cl AK-42131 [1,1,0,0,0,0|1,0,1]=4 553 B10R1.61 C[C@@H](N)C1=CC=CC=C1F AK-33841 [1,1,0,0,0,0|1,0,1]=4 554 B10R1.61 C[C@@H](O)C1=CC=CC=C1Cl AK-49059 [1,1,0,0,0,0|0,0,2]=4 555 B10R1.61 C[C@H](N)C1=CC=CC=C1Br AK-59163 [1,1,0,0,0,0|1,0,1]=4 556 B10R1.61 C[C@H](N)C1=CC=CC=C1Br AK174547 [1,1,0,0,0,0|1,0,1]=4 557 B10R1.61 C[C@H](N)C1=CC=CC=C1C AK162902 [1,1,0,0,0,0|1,0,1]=4 558 B10R1.61 C[C@H](N)C1=CC=CC=C1F AK-36100 [1,1,0,0,0,0|1,0,1]=4 559 B10R1.61 C[C@H](N)C1=CC=CC=C1F AK162903 [1,1,0,0,0,0|1,0,1]=4 560 B10R1.61 C[C@H](O)C1=CC=CC=C1Cl AK-57726 [1,1,0,0,0,0|0,0,2]=4 561 B10R1.61 C[C@H](O)C1=CC=CC=C1F AK114295 [1,1,0,0,0,0|0,0,2]=4 562 B10R1.61 ClC1=C(C(=O)O)C=CN=C1 AK-26411 [1,1,0,0,0,0|1,0,0]=3 563 B10R1.61 ClC1=C(C=CC=C1)B(O)O AK-34973 [1,1,0,0,0,0|1,0,1]=4 564 B10R1.61 ClC1=CC=CN=C1C(=O)O AK-23699 [1,1,0,0,0,0|1,0,0]=3 565 B10R1.61 ClC1=CC=NC=C1C(=O)O AK-25252 [1,1,0,0,0,0|1,0,0]=3 566 B10R1.61 ClC1=NC=CN=C1C(=O)O AK-24100 [1,1,0,0,0,0|2,0,0]=4 567 B10R1.61 FC1=C(C(=N)N)C=CC=C1 AK-16801-8 [1,1,0,0,0,0|2,0,0]=4 568 B10R1.61 FC1=C(C=CN=C1)C(C)=O AK-37142 [1,1,0,0,0,0|1,0,0]=3 569 B10R1.61 FC1=C(N=CC=C1)C(=O)O AK-28801 [1,1,0,0,0,0|1,0,0]=3 570 B10R1.61 FC1=CC=CC=C1B(O)O AK-45733 [1,1,0,0,0,0|1,0,1]=4 571 B10R1.61 NC(C1=CC=CC=C1Br)C AK-50562 [1,1,0,0,0,0|1,0,1]=4 572 B10R1.61 NC1=C(C=CN=N1)C(=O)O AK-24603 [1,1,0,0,0,0|2,0,0]=4 573 B10R1.61 NC1=C(C=NC=C1)C(=O)N AK-29493 [1,1,0,0,0,0|2,0,0]=4 574 B10R1.61 NC1=C(C=NC=C1)C(O)=O AK-27731 [1,1,0,0,0,0|1,0,0]=3 575 B10R1.61 NC1=CC=CC=C1B(O)O AK-77788 [1,1,0,0,0,0|1,0,1]=4 576 B10R1.61 N[C@@H](C1=CC=CC=C1F)C AK-42098 [1,1,0,0,0,0|1,0,1]=4 577 B10R1.61 O=C(C1=CN=CN=C1N)O AK-34045 [1,1,0,0,0,0|2,0,0]=4 578 B10R1.61 O=C(C1=CN=CNC1=O)O AK-39341 [1,1,0,0,0,0|2,0,0]=4 579 B10R1.61 O=C(C1=NC=CC=C1N)O AK-25432 [1,1,0,0,0,0|1,0,0]=3 580 B10R1.61 O=C(C1=NC=CN=C1I)O AK-30598 [1,1,0,0,0,0|2,0,0]=4 581 B10R1.61 O=C(C1=NC=CNC1=O)O AK-30536 [1,1,0,0,0,0|2,0,0]=4 582 B10R1.61 O=C(C1=NC=NC=C1C)O AK140920 [1,1,0,0,0,0|2,0,0]=4 583 B10R1.61 O=C(N)C1=CC=CC=C1Br AK-47071 [1,1,0,0,0,0|1,0,0]=3 584 B10R1.61 O=C(N)C1=CC=CC=C1Cl AK128986 [1,1,0,0,0,0|1,0,0]=3 585 B10R1.61 O=C(N)C1=CC=CC=C1F AK161780 [1,1,0,0,0,0|1,0,0]=3 586 B10R1.61 O=C(N)C1=CC=CC=C1I AK115884 [1,1,0,0,0,0|1,0,0]=3 587 B10R1.61 O=C(N)C1=CC=CC=C1N AK109256 [1,1,0,0,0,0|1,0,0]=3 588 B10R1.61 O=C(N)C1=CC=NC=C1C AK-29933 [1,1,0,0,0,0|2,0,0]=4 589 B10R1.61 O=C(N)C1=CC=NC=C1N AK-77290 [1,1,0,0,0,0|2,0,0]=4 590 B10R1.61 O=C(N)C1=NC=CC=C1C AK-48603 [1,1,0,0,0,0|2,0,0]=4 591 B10R1.61 O=C(N)C1=NC=CC=C1N AK-35369 [1,1,0,0,0,0|2,0,0]=4 592 B10R1.61 O=C(O)C1=C(N)N=CC=C1 AK-26982 [1,1,0,0,0,0|1,0,0]=3 593 B10R1.61 O=C(O)C1=C(S)N=CC=C1 AK-48961 [1,1,0,0,0,0|1,0,0]=3 594 B10R1.61 O=C(O)C1=CC=CC=C1Br AK-77301 [1,1,0,0,0,0|0,0,0]=2 595 B10R1.61 O=C(O)C1=CC=CC=C1C AK116916 [1,1,0,0,0,0|0,0,0]=2 596 B10R1.61 O=C(O)C1=CC=CC=C1Cl AK-44481 [1,1,0,0,0,0|0,0,0]=2 597 B10R1.61 O=C(O)C1=CC=CC=C1I AK-73132 [1,1,0,0,0,0|0,0,0]=2 598 B10R1.61 O=C(O)C1=CC=NC=C1C AK-30383 [1,1,0,0,0,0|1,0,0]=3 599 B10R1.61 O=C(O)C1=CC=NC=C1N AK-23678 [1,1,0,0,0,0|1,0,0]=3 600 B10R1.61 O=C(O)C1=CC=NC=C1O AK-23523 [1,1,0,0,0,0|1,0,0]=3 601 B10R1.61 O=C(O)C1=CN=CC=C1Br AK-25100 [1,1,0,0,0,0|1,0,0]=3 602 B10R1.61 O=C(O)C1=CN=CC=C1C AK-75600 [1,1,0,0,0,0|1,0,0]=3 603 B10R1.61 O=C(O)C1=NC=CC=C1I AK-29488 [1,1,0,0,0,0|1,0,0]=3 604 B10R1.61 O=C(O)C1=NC=CC=C1O AK-26380 [1,1,0,0,0,0|1,0,0]=3 605 B10R1.61 O=C1C(=CC=CN1)C(O)=O AK-47329 [1,1,0,0,0,0|1,0,0]=3 606 B10R1.61 O=C1C(=CNC=C1)C(=O)O AK-26174 [1,1,0,0,0,0|1,0,0]=3 607 B10R1.61 O=C1C(C(C)=O)=CC=CN1 AK-35911 [1,1,0,0,0,0|1,0,0]=3 608 B10R1.61 O=C1C(C(C)=O)=CNC=C1 AK501394 [1,1,0,0,0,0|1,0,0]=3 609 B10R1.61 OB(C1=CC=CC=C1N)O AK-35638 [1,1,0,0,0,0|1,0,1]=4 610 B10R1.61 OC(=O)C1=CC=CN=C1Br AK-25846 [1,1,0,0,0,0|1,0,0]=3 611 B10R1.61 OC(=O)C1=CC=NNC1=O AK-89567 [1,1,0,0,0,0|2,0,0]=4 612 B10R1.61 OC1=CC=CC=C1C(N)=O AK-81394 [1,1,0,0,0,0|1,0,0]=3 613 B10R1.61 OC1=CC=CC=C1C(O)=O AK397674 [1,1,0,0,0,0|0,0,0]=2 614 B10R1.61 [O-]C1=CC=CC=C1[N+]([O-])=O AK135512 [1,1,0,0,0,0|1,0,1]=4 615 B10R1.113 BrC1=CC(=CN=C1)C(=C)C AK-40102 [1,1,0,0,0,0|2,0,0]=4 616 B10R1.113 C(C)(=O)C1=CC(=CN=C1)Br AK-25899 [1,1,0,0,0,0|1,0,0]=3 617 B10R1.113 C(C)(=O)C1=CC(=NC=C1)C AK-26955 [1,1,0,0,0,0|1,0,0]=3 618 B10R1.113 C(C)(=O)C1=NC(=CC=C1)Br AK-30565 [1,1,0,0,0,0|1,0,0]=3 619 B10R1.113 C1=C(C(C)=O)C=C(C=C1)O AK-46681 [1,1,0,0,0,0|0,0,0]=2 620 B10R1.113 C1=C(C=C(N=C1)N)C(=O)O AK-25375 [1,1,0,0,0,0|1,0,0]=3 621 B10R1.113 C1=C(C=CC=C1Br)B(O)O AK-23693 [1,1,0,0,0,0|1,0,1]=4 622 B10R1.113 C1=C(C=CC=C1Cl)C(O)=O AK-43975 [1,1,0,0,0,0|0,0,0]=2 623 B10R1.113 C1=C(C=CC=C1F)C(O)=O AK-53854 [1,1,0,0,0,0|0,0,0]=2 624 B10R1.113 C1=C(C=NC=C1Br)C(N)=O AK-34529 [1,1,0,0,0,0|2,0,0]=4 625 B10R1.113 C1=C(C=NC=C1C(O)=O)F AK-25931 [1,1,0,0,0,0|1,0,0]=3 626 B10R1.113 C1=C(C=NC=C1C)C(O)=O AK-23837 [1,1,0,0,0,0|1,0,0]=3 627 B10R1.113 C1=C(C=NC=C1Cl)C(O)=O AK-25160 [1,1,0,0,0,0|1,0,0]=3 628 B10R1.113 C1=CC=C(F)N=C1C(=O)O AK-30385 [1,1,0,0,0,0|1,0,0]=3 629 B10R1.113 C1=CC=C(N=C1C(O)=O)C AK-27736 [1,1,0,0,0,0|1,0,0]=3 630 B10R1.113 C1=NC=C(C=C1C(=O)N)N AK-26169 [1,1,0,0,0,0|2,0,0]=4 631 B10R1.113 C1=NC=C(Cl)N=C1C(=O)O AK-27777 [1,1,0,0,0,0|2,0,0]=4 632 B10R1.113 C1=NC=C(N=C1C(=O)O)C AK-26120 [1,1,0,0,0,0|2,0,0]=4 633 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 AK-34279 [1,1,0,0,0,0|1,0,0]=3 634 B10R1.113 CC(=O)C1=CC=NC(Cl)=N1 AK100632 [1,1,0,0,0,0|2,0,0]=4 635 B10R1.113 CC(C1=CC(Br)=CC=C1)C AK-61854 [1,1,0,0,0,0|1,0,1]=4 636 B10R1.113 CC(C1=CC(F)=CN=C1)=O AK101043 [1,1,0,0,0,0|1,0,0]=3 637 B10R1.113 CC(C1=CC(N)=NC=C1)=O AK134215 [1,1,0,0,0,0|1,0,0]=3 638 B10R1.113 CC(C1=CC=CC(Br)=C1)=O AK-44590 [1,1,0,0,0,0|0,0,0]=2 639 B10R1.113 CC(C1=CC=CC(C)=C1)=O AK143347 [1,1,0,0,0,0|0,0,0]=2 640 B10R1.113 CC(C1=NC(Cl)=CC=C1)=O AK-29671 [1,1,0,0,0,0|1,0,0]=3 641 B10R1.113 CC(C1=NC(F)=CC=C1)=O AK-74181 [1,1,0,0,0,0|1,0,0]=3 642 B10R1.113 CC(C1=NC=CC(C)=C1)=O AK-61872 [1,1,0,0,0,0|1,0,0]=3 643 B10R1.113 CC(C1=NC=CC(Cl)=C1)=O AK-30041 [1,1,0,0,0,0|1,0,0]=3 644 B10R1.113 CC(C1=NC=NC(C)=C1)=O AK-78932 [1,1,0,0,0,0|2,0,0]=4 645 B10R1.113 CC(N)C1=CC=CC(C)=C1 AK-95787 [1,1,0,0,0,0|1,0,1]=4 646 B10R1.113 CC1=CC(B(O)O)=CC=C1 AK-41078 [1,1,0,0,0,0|1,0,1]=4 647 B10R1.113 CC1=CC=CC(=C1)C(N)=N AK-45199 [1,1,0,0,0,0|2,0,0]=4 648 B10R1.113 CC1=CC=CC(C(C)=O)=N1 AK-30134 [1,1,0,0,0,0|1,0,0]=3 649 B10R1.113 CC1=CC=NC(=C1)C(=O)O AK-30381 [1,1,0,0,0,0|1,0,0]=3 650 B10R1.113 CC1=CC=NC(=N1)C(O)=O AK-36910 [1,1,0,0,0,0|2,0,0]=4 651 B10R1.113 CC1=NC=CC(=N1)C(=O)O AK-23648 [1,1,0,0,0,0|2,0,0]=4 652 B10R1.113 CN(C)C1=CC=CC(Br)=C1 AK-63444 [1,1,0,0,0,0|2,0,0]=4 653 B10R1.113 C[C@@H](C1=CC=CC(N)=C1)N AK326677 [1,1,0,0,0,0|1,0,1]=4 654 B10R1.113 C[C@@H](N)C1=CC=CC(Br)=C1 AK-33750 [1,1,0,0,0,0|1,0,1]=4 655 B10R1.113 C[C@@H](N)C1=CC=CC(Br)=C1 AK338979 [1,1,0,0,0,0|1,0,1]=4 656 B10R1.113 C[C@@H](N)C1=CC=CC(C)=C1 AK-45077 [1,1,0,0,0,0|1,0,1]=4 657 B10R1.113 C[C@@H](N)C1=CC=CC(C)=C1 AK133442 [1,1,0,0,0,0|1,0,1]=4 658 B10R1.113 C[C@@H](N)C1=CC=CC(F)=C1 AK-29516 [1,1,0,0,0,0|1,0,1]=4 659 B10R1.113 C[C@@H](O)C1=CC=CC(Cl)=C1 AK103057 [1,1,0,0,0,0|0,0,2]=4 660 B10R1.113 C[C@H](N)C1=CC=CC(Br)=C1 AK-33217 [1,1,0,0,0,0|1,0,1]=4 661 B10R1.113 C[C@H](N)C1=CC=CC(Br)=C1 AK338984 [1,1,0,0,0,0|1,0,1]=4 662 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 AK-35182 [1,1,0,0,0,0|1,0,1]=4 663 B10R1.113 C[C@H](O)C1=CC=CC(Br)=C1 AK-58281 [1,1,0,0,0,0|0,0,2]=4 664 B10R1.113 ClC1=CC=CC(=C1)B(O)O AK-47360 [1,1,0,0,0,0|1,0,1]=4 665 B10R1.113 ClC1=NC=CC(=N1)C(=O)O AK-28365 [1,1,0,0,0,0|2,0,0]=4 666 B10R1.113 FC1=CC(B(O)O)=CC=C1 AK-45904 [1,1,0,0,0,0|1,0,1]=4 667 B10R1.113 IC1=CC=CC(=C1)B(O)O AK-45910 [1,1,0,0,0,0|1,0,1]=4 668 B10R1.113 N=C(N)C1=CC=CC(Br)=C1 AK-16801-7 [1,1,0,0,0,0|2,0,0]=4 669 B10R1.113 NC1=CC(C(C)=O)=CC=C1 AK-83273 [1,1,0,0,0,0|0,0,0]=2 670 B10R1.113 NC1=CC(N(C)C)=CC=C1 AK162007 [1,1,0,0,0,0|2,0,0]=4 671 B10R1.113 NC1=CC=NC(=C1)C(=O)O AK-72771 [1,1,0,0,0,0|1,0,0]=3 672 B10R1.113 NC1=CN=CC(=C1)C(O)=O AK-34306 [1,1,0,0,0,0|1,0,0]=3 673 B10R1.113 NC1=CN=CC(=N1)C(=O)O AK-30537 [1,1,0,0,0,0|2,0,0]=4 674 B10R1.113 N[C@@H](C1=CC=CC(F)=C1)C AK-45028 [1,1,0,0,0,0|1,0,1]=4 675 B10R1.113 N[C@H](C1=CC=CC(F)=C1)C AK-42995 [1,1,0,0,0,0|1,0,1]=4 676 B10R1.113 O=C(C1=CC(=O)N=CN1)O AK-24985 [1,1,0,0,0,0|2,0,0]=4 677 B10R1.113 O=C(C1=CC=CC(Cl)=N1)O AK-26005 [1,1,0,0,0,0|1,0,0]=3 678 B10R1.113 O=C(C1=CC=CC(N1)=O)O AK-25557 [1,1,0,0,0,0|1,0,0]=3 679 B10R1.113 O=C(C1=NC(Br)=CN=C1)O AK158200 [1,1,0,0,0,0|2,0,0]=4 680 B10R1.113 O=C(C1=NC(Br)=NC=C1)O AK145986 [1,1,0,0,0,0|2,0,0]=4 681 B10R1.113 O=C(C1=NC(N)=NC=C1)O AK-65335 [1,1,0,0,0,0|2,0,0]=4 682 B10R1.113 O=C(C1=NC=CC(Br)=C1)O AK-23753 [1,1,0,0,0,0|1,0,0]=3 683 B10R1.113 O=C(C1=NC=NC(C)=C1)O AK114394 [1,1,0,0,0,0|2,0,0]=4 684 B10R1.113 O=C(C1=NN=CC(Cl)=C1)O AK398901 [1,1,0,0,0,0|2,0,0]=4 685 B10R1.113 O=C(C=1C=CNC(C1)=O)O AK-75663 [1,1,0,0,0,0|1,0,0]=3 686 B10R1.113 O=C(C=1C=CNC(C1)=S)O AK161760 [1,1,0,0,0,0|1,0,0]=3 687 B10R1.113 O=C(N)C1=CC=CC(Br)=C1 AK-61366 [1,1,0,0,0,0|1,0,0]=3 688 B10R1.113 O=C(N)C1=NC=CC(N)=C1 AK103735 [1,1,0,0,0,0|2,0,0]=4 689 B10R1.113 O=C(O)C1=CC=CC(Br)=C1 AK-77039 [1,1,0,0,0,0|0,0,0]=2 690 B10R1.113 O=C(O)C1=CC=CC(C)=C1 AK116994 [1,1,0,0,0,0|0,0,0]=2 691 B10R1.113 O=C(O)C1=CC=CC(I)=C1 AK-40488 [1,1,0,0,0,0|0,0,0]=2 692 B10R1.113 O=C(O)C1=CC=CC(N)=C1 AK-41177 [1,1,0,0,0,0|0,0,0]=2 693 B10R1.113 O=C(O)C1=CC=CC(O)=C1 AK-50288 [1,1,0,0,0,0|0,0,0]=2 694 B10R1.113 O=C(O)C1=CC=NC(Br)=C1 AK-26241 [1,1,0,0,0,0|1,0,0]=3 695 B10R1.113 O=C(O)C1=CC=NC(C)=C1 AK-23516 [1,1,0,0,0,0|1,0,0]=3 696 B10R1.113 O=C(O)C1=CC=NC(O)=C1 AK-27187 [1,1,0,0,0,0|1,0,0]=3 697 B10R1.113 O=C(O)C1=CN=CC(Br)=C1 AK-25583 [1,1,0,0,0,0|1,0,0]=3 698 B10R1.113 O=C(O)C1=CN=CC(I)=C1 AK-28811 [1,1,0,0,0,0|1,0,0]=3 699 B10R1.113 O=C(O)C1=CN=CC(O)=C1 AK-25698 [1,1,0,0,0,0|1,0,0]=3 700 B10R1.113 O=C(O)C1=NC=CC(Cl)=C1 AK-23768 [1,1,0,0,0,0|1,0,0]=3 701 B10R1.113 O=C(O)C1=NC=CC(I)=C1 AK-30405 [1,1,0,0,0,0|1,0,0]=3 702 B10R1.113 O=C1NC(=CC=N1)C(=O)O AK-30175 [1,1,0,0,0,0|2,0,0]=4 703 B10R1.113 O=C1NN=CC(=C1)C(=O)O AK-26372 [1,1,0,0,0,0|2,0,0]=4 704 B10R1.113 OB(C1=CC=CC(N)=C1)O AK-27034 [1,1,0,0,0,0|1,0,1]=4 705 B10R1.113 OB(C1=CC=CC(N)=C1)O AK-43360 [1,1,0,0,0,0|1,0,1]=4 706 B10R1.113 OB(C1=CC=CC(N)=C1)O AK-44816 [1,1,0,0,0,0|1,0,1]=4 707 B10R1.113 OB(C1=CC=CC(O)=C1)O AK-44803 [1,1,0,0,0,0|1,0,1]=4 708 B10R1.113 OC(=O)C1=CC(Cl)=NC=C1 AK-26209 [1,1,0,0,0,0|1,0,0]=3 709 B10R1.113 OC(=O)C1=CC(F)=NC=C1 AK-25930 [1,1,0,0,0,0|1,0,0]=3 710 B10R1.113 OC(=O)C1=NC(Br)=CC=C1 AK-25597 [1,1,0,0,0,0|1,0,0]=3 711 B10R1.113 OC(=O)C1=NC=NC(Cl)=C1 AK-29233 [1,1,0,0,0,0|2,0,0]=4 712 B10R1.113 OC1=CC=CC(N(C)C)=C1 AK-51741 [1,1,0,0,0,0|2,0,0]=4 713 B10R1.113 OC1=CC=CC([C@H](N)C)=C1 AK-77840 [1,1,0,0,0,0|1,0,1]=4 714 B10R1.1 C1=C(C=CC(=C1)Br)CNC AK-16714 [1,1,0,0,0,0|1,0,1]=4 715 B10R1.1 C1=C(C=CC(=C1)Br)OCC AK-47317 [1,1,0,0,0,0|2,0,0]=4 716 B10R1.1 C1=CC(=CC=C1CNC)Cl AK-16704 [1,1,0,0,0,0|1,0,1]=4 717 B10R1.1 CCCC1=CC=C(Br)C=C1 AK-49955 [1,1,0,0,0,0|1,0,1]=4 718 B10R1.1 CCOC1=CC=C(I)C=C1 AK-46446 [1,1,0,0,0,0|2,0,0]=4 719 B10R1.1 CNCC1=CC=C(N)C=C1 AK-78884 [1,1,0,0,0,0|1,0,1]=4 720 B10R1.1 FC1=CC=C(C=C1)NCC AK113245 [1,1,0,0,0,0|2,0,0]=4 721 B10R1.1 NC1=CC=C(COC)C=C1 AK-78891 [1,1,0,0,0,0|0,0,1]=3 722 B10R1.1 NOCC1=CC=C(F)C=C1 AK-86671 [1,1,0,0,0,0|1,0,1]=4 723 B10R1.1 OC1=CC=C(CCC)C=C1 AK164480 [1,1,0,0,0,0|1,0,1]=4 724 B10R1.1 OC1=CC=C(COC)C=C1 AK-42631 [1,1,0,0,0,0|0,0,1]=3 725 B10R1.1 OC1=CC=C(OCC)C=C1 AK163223 [1,1,0,0,0,0|2,0,0]=4 726 B10R1.4 CC1=CC=CC=C1CNC AK-89673 [1,1,0,0,0,0|1,0,1]=4 727 B10R1.4 CNCC1=CC=CC=C1Br AK-16712 [1,1,0,0,0,0|1,0,1]=4 728 B10R1.4 CNCC1=CC=CC=C1F AK-16716 [1,1,0,0,0,0|1,0,1]=4 729 B10R1.4 NOCC1=CC=CC=C1F AK-69176 [1,1,0,0,0,0|1,0,1]=4 730 B10R1.4 OC1=CC=CC=C1COC AK151421 [1,1,0,0,0,0|0,0,1]=3 731 B10R1.4 OC1=CC=CC=C1OCC AK-94233 [1,1,0,0,0,0|2,0,0]=4 732 B10R1.10 C1=C(C=CC=C1F)CNC AK-16717 [1,1,0,0,0,0|1,0,1]=4 733 B10R1.10 CC1=CC(CNC)=CC=C1 AK-89676 [1,1,0,0,0,0|1,0,1]=4 734 B10R1.10 CCOC1=CC(F)=CC=C1 AK-61826 [1,1,0,0,0,0|2,0,0]=4 735 B10R1.10 CCOC1=CC=CC(Br)=C1 AK-44617 [1,1,0,0,0,0|2,0,0]=4 736 B10R1.10 CNCC1=CC(Cl)=CC=C1 AK-76864 [1,1,0,0,0,0|1,0,1]=4 737 B10R1.10 CNCC1=CC=CC(Br)=C1 AK-16713 [1,1,0,0,0,0|1,0,1]=4 738 B10R1.10 NC1=CC=CC(CNC)=C1 AK-93009 [1,1,0,0,0,0|1,0,1]=4 739 B10R1.17 BrCCOC1=CC=CC=C1 AK-88423 [1,1,0,0,0,0|2,0,0]=4 740 B10R1.17 CCCOC1=CC=CC=C1 AK544046 [1,1,0,0,0,0|1,0,1]=4 741 B10R1.17 ClCCOC1=CC=CC=C1 AK113619 [1,1,0,0,0,0|2,0,0]=4 742 B10R1.17 N#C\C=C\C1=CC=CC=C1 AK208737 [1,1,0,0,0,0|1,0,1]=4 743 B10R1.17 NOCCC1=CC=CC=C1 AK-58452 [1,1,0,0,0,0|1,0,1]=4 744 B10R1.17 O=COCC1=CC=CC=C1 AK113965 [1,1,0,0,0,0|0,0,2]=4 745 B10R1.17 O=C\C=C\C1=CC=CC=C1 AK-77787 [1,1,0,0,0,0|1,0,1]=4 746 B10R1.17 OCC#CC1=CC=CC=C1 AK106192 [1,1,0,0,0,0|1,0,1]=4 747 B10R1.17 OCCCC1=CC=CC=C1 AK114527 [1,1,0,0,0,0|1,0,1]=4 748 B10R1.17 OC\C=C\C1=CC=CN=C1 AK146726 [1,1,0,0,0,0|2,0,0]=4 749 B10R1.17 [NH]CCOC1=CC=CC=C1 AK-46660 [1,1,0,0,0,0|2,0,0]=4 750 B10R1.18 CC(C)OC1=CC=CC=C1 AK110874 [1,1,0,0,0,0|2,0,0]=4 751 B10R1.18 C\C(C)=C/C1=CC=CC=C1 AK113914 [1,1,0,0,0,0|1,0,0]=3 752 B10R1.11 C1=C(C(=O)OCC)SC=N1 AK-29162 [0,1,0,0,1,0|2,0,0]=4 753 B10R1.11 C1=C([NH]C=N1)C(OCC)=O AK-25642 [0,1,0,0,1,0|2,0,0]=4 754 B10R1.11 C1=C[NH]C(=N1)C(OCC)=O AK-39974 [0,1,0,0,1,0|2,0,0]=4 755 B10R1.11 C1=N[NH]C=C1C(OCC)=O AK-27126 [0,1,0,0,1,0|2,0,0]=4 756 B10R1.11 CCOC(=O)C1=CC=CN1 AK-25609 [0,1,0,0,1,0|1,0,0]=3 757 B10R1.11 CCOC(=O)C1=CNC=C1 AK-41135 [0,1,0,0,1,0|1,0,0]=3 758 B10R1.11 O=C(C1=CC=NO1)OCC AK-68489 [0,1,0,0,1,0|2,0,0]=4 759 B10R1.11 O=C(C1=COC=N1)OCC AK-28248 [0,1,0,0,1,0|2,0,0]=4 760 B10R1.11 O=C(C1=NC=CO1)OCC AK-68691 [0,1,0,0,1,0|2,0,0]=4 761 B10R1.11 O=C(C1=NNC=C1)OCC AK-45333 [0,1,0,0,1,0|2,0,0]=4 762 B10R1.14 C1=C(C(OC)=O)N=C(S1)N AK-15127 [0,1,0,0,1,0|2,0,0]=4 763 B10R1.14 C1=C(C(OC)=O)SC(=N1)Br AK-23911 [0,1,0,0,1,0|2,0,0]=4 764 B10R1.14 C1=C(C(OC)=O)SC(=N1)N AK-23910 [0,1,0,0,1,0|2,0,0]=4 765 B10R1.14 C1=C(N=C(S1)Br)C(=O)OC AK-21789 [0,1,0,0,1,0|2,0,0]=4 766 B10R1.14 C1=C(SC=C1N)C(OC)=O AK-36782 [0,1,0,0,1,0|1,0,0]=3 767 B10R1.14 COC(=O)C1=CC(=CO1)Br AK-39920 [0,1,0,0,1,0|1,0,0]=3 768 B10R1.14 COC(=O)C1=CC(Br)=CN1 AK-23914 [0,1,0,0,1,0|1,0,0]=3 769 B10R1.14 COC(=O)C1=CC(Br)=CS1 AK-55210 [0,1,0,0,1,0|1,0,0]=3 770 B10R1.14 COC(=O)C1=CC(C)=NO1 AK-99990 [0,1,0,0,1,0|2,0,0]=4 771 B10R1.14 COC(=O)C1=CC(NO1)=O AK-32642 [0,1,0,0,1,0|2,0,0]=4 772 B10R1.14 COC(=O)C1=CNC(Br)=C1 AK-63235 [0,1,0,0,1,0|1,0,0]=3 773 B10R1.14 COC(=O)C1=COC(C)=C1 AK-28257 [0,1,0,0,1,0|1,0,0]=3 774 B10R1.14 COC(=O)C1=NNC(Br)=C1 AK109827 [0,1,0,0,1,0|2,0,0]=4 775 B10R1.14 COC(=O)C1=NNC(C)=C1 AK-77018 [0,1,0,0,1,0|2,0,0]=4 776 B10R1.14 ClC1=NC=C(S1)C(=O)OC AK-65059 [0,1,0,0,1,0|2,0,0]=4 777 B10R1.14 NC1=CC(=N[NH]1)C(=O)OC AK-35933 [0,1,0,0,1,0|2,0,0]=4 778 B10R1.14 O=C(C1=CC=C(Br)N1)OC AK-47142 [0,1,0,0,1,0|1,0,0]=3 779 B10R1.14 O=C(C1=CC=C(Br)O1)OC AK-43914 [0,1,0,0,1,0|1,0,0]=3 780 B10R1.14 O=C(C1=CC=C(Br)S1)OC AK-40321 [0,1,0,0,1,0|1,0,0]=3 781 B10R1.14 O=C(C1=CC=C(C)O1)OC AK124407 [0,1,0,0,1,0|1,0,0]=3 782 B10R1.14 O=C(C1=CC=C(N)S1)OC AK-40138 [0,1,0,0,1,0|1,0,0]=3 783 B10R1.14 O=C(C1=CN(C)N=C1)OC AK-75955 [0,1,0,0,1,0|2,0,0]=4 784 B10R1.14 O=C(C1=CN=C(Br)O1)OC AK-75897 [0,1,0,0,1,0|2,0,0]=4 785 B10R1.14 O=C(C1=CN=C(C)O1)OC AK-26225 [0,1,0,0,1,0|2,0,0]=4 786 B10R1.14 O=C(C1=CN=C(Cl)O1)OC AK-77391 [0,1,0,0,1,0|2,0,0]=4 787 B10R1.14 O=C(C1=COC(Br)=N1)OC AK-41107 [0,1,0,0,1,0|2,0,0]=4 788 B10R1.14 O=C(C1=COC(Cl)=N1)OC AK-36915 [0,1,0,0,1,0|2,0,0]=4 789 B10R1.14 O=C(C1=CSC(Br)=C1)OC AK138265 [0,1,0,0,1,0|1,0,0]=3 790 B10R1.14 O=C(C1=NC(Br)=CS1)OC AK146642 [0,1,0,0,1,0|2,0,0]=4 791 B10R1.14 O=C(C1=NC(C)=CS1)OC AK-68231 [0,1,0,0,1,0|2,0,0]=4 792 B10R1.14 O=C(C1=NC=C(C)S1)OC AK-76566 [0,1,0,0,1,0|2,0,0]=4 793 B10R1.14 O=C(C1=NNC(O)=C1)OC AK-77271 [0,1,0,0,1,0|2,0,0]=4 794 B10R1.149 BrC1=C(N=CS1)C(=O)OC AK-22046 [0,1,0,0,1,0|2,0,0]=4 795 B10R1.149 C1=CSC(=C1C(OC)=O)N AK-26003 [0,1,0,0,1,0|1,0,0]=3 796 B10R1.149 CC1=C(C=CS1)C(=O)OC AK-40494 [0,1,0,0,1,0|1,0,0]=3 797 B10R1.149 CC1=C(SC=N1)C(=O)OC AK-27820 [0,1,0,0,1,0|2,0,0]=4 798 B10R1.149 CC1=N[NH]C=C1C(=O)OC AK-31098 [0,1,0,0,1,0|2,0,0]=4 799 B10R1.149 COC(=O)C1=C(Br)SC=C1 AK-68215 [0,1,0,0,1,0|1,0,0]=3 800 B10R1.149 COC(=O)C1=C(C)C=CO1 AK-89345 [0,1,0,0,1,0|1,0,0]=3 801 B10R1.149 COC(=O)C1=C(Cl)C=CN1 AK109924 [0,1,0,0,1,0|1,0,0]=3 802 B10R1.149 COC(=O)C1=CSC=C1Br AK102742 [0,1,0,0,1,0|1,0,0]=3 803 B10R1.149 COC(=O)C1=NNC=C1I AK100557 [0,1,0,0,1,0|2,0,0]=4 804 B10R1.149 COC(C1=N[NH]C=C1Br)=O AK-39576 [0,1,0,0,1,0|2,0,0]=4 805 B10R1.149 NC1=C(OC=C1)C(=O)OC AK-28297 [0,1,0,0,1,0|1,0,0]=3 806 B10R1.149 O=C(C1=C(Br)C=CS1)OC AK-24670 [0,1,0,0,1,0|1,0,0]=3 807 B10R1.149 O=C(C1=C(C)C=CS1)OC AK-29549 [0,1,0,0,1,0|1,0,0]=3 808 B10R1.149 O=C(C1=C(Cl)N=CS1)OC AK501937 [0,1,0,0,1,0|2,0,0]=4 809 B10R1.149 O=C(C1=C(F)C=CS1)OC AK-40928 [0,1,0,0,1,0|1,0,0]=3 810 B10R1.149 O=C(C1=C(N)C=CS1)OC AK-26736 [0,1,0,0,1,0|1,0,0]=3 811 B10R1.149 O=C(C1=C(N)C=NN1)OC AK134904 [0,1,0,0,1,0|2,0,0]=4 812 B10R1.149 O=C(C1=C(N)N=CS1)OC AK-24209 [0,1,0,0,1,0|2,0,0]=4 813 B10R1.149 O=C(C1=C(O)C=CN1)OC AK123374 [0,1,0,0,1,0|1,0,0]=3 814 B10R1.149 O=C(C1=C(O)C=CS1)OC AK-41067 [0,1,0,0,1,0|1,0,0]=3 815 B10R1.149 O=C(C1=CC=NN1C)OC AK119024 [0,1,0,0,1,0|2,0,0]=4 816 B10R1.149 O=C(C1=CNC=C1C)OC AK126219 [0,1,0,0,1,0|1,0,0]=3 817 B10R1.149 O=C(C1=CNN=C1N)OC AK-40062 [0,1,0,0,1,0|2,0,0]=4 818 B10R1.149 O=C(C1=NC=CN1C)OC AK139738 [0,1,0,0,1,0|2,0,0]=4 819 B10R1.149 O=C(C1=NNC=C1N)OC AK-65279 [0,1,0,0,1,0|2,0,0]=4 820 B12R1.32 C(C)OC(CC1=NC=CC=N1)=O AK-24266 [0,1,0,0,0,1|2,0,0]=4 821 B12R1.32 CCCC(CC1=CC=CC=C1)=O AK113874 [0,1,0,0,0,1|1,0,0]=3 822 B12R1.32 O=C(NC1=CC=CC=C1)CC#N AK174428 [0,1,0,0,0,1|1,0,1]=4 823 B12R1.32 O=C(OCC)CC1=CC=CC=C1 AK116248 [0,1,0,0,0,1|0,0,0]=2 824 B12R1.32 O=C(OCC)CC1=CC=CN=C1 AK-81622 [0,1,0,0,0,1|1,0,0]=3 825 B12R1.32 O=C(OCC)C[N+]1=CC=CC=C1 AK-60276 [0,1,0,0,0,1|1,0,0]=3 826 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 AK-57823 [0,1,0,0,0,1|0,0,0]=2 827 B12R1.34 O=C(N(OC)C)C1=CC=CC=C1 AK-50042 [0,1,0,0,0,1|2,0,0]=4 828 B12R1.34 O=C(OC)C(C1=CC=CC=C1)=O AK-93755 [0,1,0,0,0,1|0,0,0]=2 829 B12R1.34 O=C(OC)C(O)C1=CC=CC=C1 AK110711 [0,1,0,0,0,1|0,0,0]=2 830 B12R1.34 O=C(OC)[C@@H](N)C1=CC=CC=C1 AK-49410 [0,1,0,0,0,1|0,0,0]=2 831 B12R1.34 O=C(OC)[C@@H](N)C1=CC=CC=C1 AK-64578 [0,1,0,0,0,1|0,0,0]=2 832 B12R1.34 O=C(OC)[C@H](N)C1=CC=CC=C1 AK-47584 [0,1,0,0,0,1|0,0,0]=2 833 B12R1.34 O[C@@H](C1=CC=CC=C1)C(OC)=O AK-46674 [0,1,0,0,0,1|0,0,0]=2 834 B12R1.34 O[C@H](C1=CC=CC=C1)C(OC)=O AK-46628 [0,1,0,0,0,1|0,0,0]=2 835 B12R1.49 C1=C(CC(OC)=O)C=CC(=C1)Br AK-25954 [0,1,0,0,0,1|0,0,0]=2 836 B12R1.49 C1=C(CC(OC)=O)C=CC(=C1)O AK-46608 [0,1,0,0,0,1|0,0,0]=2 837 B12R1.49 COC(=O)CC1=NC=C(F)C=N1 AK100243 [0,1,0,0,0,1|2,0,0]=4 838 B12R1.49 O=C(OC)CC1=CC=C(Cl)C=C1 AK-46979 [0,1,0,0,0,1|0,0,0]=2 839 B12R1.49 O=C(OC)CC1=CC=C(Cl)N=C1 AK137274 [0,1,0,0,0,1|1,0,0]=3 840 B12R1.49 O=C(OC)CC1=CC=C(F)C=C1 AK117500 [0,1,0,0,0,1|0,0,0]=2 841 B12R1.49 O=C(OC)CC1=NC=C(Br)C=C1 AK144847 [0,1,0,0,0,1|1,0,0]=3 842 B12R1.49 O=C(OC)CC1=NC=C(Br)C=N1 AK138238 [0,1,0,0,0,1|2,0,0]=4 843 B12R1.50 C=CC(NC1=CC=CC(N)=C1)=O AK319023 [0,1,0,0,0,1|1,0,1]=4 844 B12R1.50 C=CC(NC1=CC=CC(O)=C1)=O AK548287 [0,1,0,0,0,1|1,0,1]=4 845 B12R1.50 O=C(OC)CC1=CC=CC(Br)=C1 AK-33399 [0,1,0,0,0,1|0,0,0]=2 846 B12R1.50 O=C(OC)CC1=CC=CC(F)=C1 AK161785 [0,1,0,0,0,1|0,0,0]=2 847 B12R1.50 O=C(OC)CC1=CC=CC(N)=C1 AK-35502 [0,1,0,0,0,1|0,0,0]=2 848 B12R1.50 O=C(OC)CC1=CC=CC(N)=C1 AK-86789 [0,1,0,0,0,1|0,0,0]=2 849 B12R1.50 O=C(OC)CC1=NC(Cl)=CC=C1 AK-63367 [0,1,0,0,0,1|1,0,0]=3 850 B12R1.371 COC(=O)CC1=C(N)C=CC=C1 AK-39324 [0,1,0,0,0,1|0,0,0]=2 851 B12R1.371 COC(=O)CC1=C(O)C=CC=C1 AK-76378 [0,1,0,0,0,1|0,0,0]=2 852 B12R1.371 O=C(OC)CC1=CC=CC=C1Br AK114701 [0,1,0,0,0,1|0,0,0]=2 853 B12R1.371 O=C(OC)CC1=CC=CC=C1Cl AK-40007 [0,1,0,0,0,1|0,0,0]=2 854 B12R1.371 O=C(OC)CC1=CC=CC=C1N AK133070 [0,1,0,0,0,1|0,0,0]=2 855 B12R1.9 CC1=CC=C(S(=O)(OC)=O)C=C1 AK-48103 [0,2,0,0,0,0|1,0,0]=3 856 B12R1.9 O=S(C1=CC=C(C)C=C1)(NC)=O AK117052 [0,2,0,0,0,0|2,0,0]=4 857 B12R1.9 O=S(C1=CC=C(F)C=C1)(NC)=O AK-92363 [0,2,0,0,0,0|2,0,0]=4 858 B12R1.39 O=S(C1=CC=CC=C1)(OCC)=O AK129066 [0,2,0,0,0,0|1,0,0]=3 859 B12R1.475 C[Si](OC)(OC)C1=CC=CC=C1 AK122120 [0,2,0,0,0,0|0,1,1]=4 860 B12R1.475 O=P(C1=CC=CC=C1)(OC)OC AK112224 [0,2,0,0,0,0|1,0,0]=3 861 B12R1.16 BrC1=CN=C(C=N1)C(=O)OCC AK-24838 [0,2,0,0,0,0|2,0,0]=4 862 B12R1.16 BrC1=CN=C(N=C1)C(=O)OCC AK-28413 [0,2,0,0,0,0|2,0,0]=4 863 B12R1.16 C(C)OC(=O)C1=NC=C(C=C1)Br AK-26326 [0,2,0,0,0,0|1,0,0]=3 864 B12R1.16 C(C)OC(C1=CN=C(C=C1)Br)=O AK-25676 [0,2,0,0,0,0|1,0,0]=3 865 B12R1.16 C(OC(=O)C1=CNC(=O)C=C1)C AK-25535 [0,2,0,0,0,0|1,0,0]=3 866 B12R1.16 C1=C(C(OCC)=O)C=CC(=C1)Br AK-47339 [0,2,0,0,0,0|0,0,0]=2 867 B12R1.16 C1=CC(=CC=C1C(OCC)=O)F AK-46539 [0,2,0,0,0,0|0,0,0]=2 868 B12R1.16 CCCC(C1=CC=C(F)C=C1)=O AK324839 [0,2,0,0,0,0|1,0,0]=3 869 B12R1.16 CCCC(C1=CC=C(O)C=C1)=O AK114518 [0,2,0,0,0,0|1,0,0]=3 870 B12R1.16 CCOC(=O)C1=CC=C(C)N=C1 AK-47039 [0,2,0,0,0,0|1,0,0]=3 871 B12R1.16 CCOC(=O)C1=CN=C(Cl)C=C1 AK-29299 [0,2,0,0,0,0|1,0,0]=3 872 B12R1.16 CCOC(=O)C1=CNC(=O)N=C1 AK-48753 [0,2,0,0,0,0|2,0,0]=4 873 B12R1.16 COCC(C1=CC=C(O)C=C1)=O AK144287 [0,2,0,0,0,0|0,0,0]=2 874 B12R1.16 ClC1=NC=C(C=N1)C(=O)OCC AK-32391 [0,2,0,0,0,0|2,0,0]=4 875 B12R1.16 ClCCC(=O)C1=CC=C(Br)C=C1 AK-48143 [0,2,0,0,0,0|1,0,0]=3 876 B12R1.16 N#CCC(C1=CC=C(F)C=C1)=O AK-84420 [0,2,0,0,0,0|1,0,1]=4 877 B12R1.16 NC1=CN=C(C=N1)C(=O)OCC AK-24065 [0,2,0,0,0,0|2,0,0]=4 878 B12R1.16 O=C(C1=CC=C(Cl)C=C1)CC#N AK-42875 [0,2,0,0,0,0|1,0,1]=4 879 B12R1.16 O=C(C1=CN=C(C)N=C1)OCC AK-47037 [0,2,0,0,0,0|2,0,0]=4 880 B12R1.16 O=C(C1=CN=C(N)N=C1)OCC AK-50608 [0,2,0,0,0,0|2,0,0]=4 881 B12R1.16 O=C(C1=NC=C(C)N=C1)OCC AK-68294 [0,2,0,0,0,0|2,0,0]=4 882 B12R1.16 O=C(C1=NC=C(Cl)N=C1)OCC AK104858 [0,2,0,0,0,0|2,0,0]=4 883 B12R1.16 O=C(OCC)C1=CC=C(Cl)C=C1 AK109118 [0,2,0,0,0,0|0,0,0]=2 884 B12R1.16 O=C(OCC)C1=CC=C(I)C=C1 AK-43962 [0,2,0,0,0,0|0,0,0]=2 885 B12R1.16 O=C(OCC)C1=CC=C(N)C=C1 AK-46733 [0,2,0,0,0,0|0,0,0]=2 886 B12R1.16 O=C(OCC)C1=CC=C(O)C=C1 AK-49315 [0,2,0,0,0,0|0,0,0]=2 887 B12R1.16 O=C(OCC)C1=CN=C(N)C=C1 AK-32375 [0,2,0,0,0,0|1,0,0]=3 888 B12R1.16 O=C(OCC)C1=NC=C(C)C=C1 AK-68218 [0,2,0,0,0,0|1,0,0]=3 889 B12R1.16 O=C(OCC)C1=NC=C(N)C=C1 AK112557 [0,2,0,0,0,0|1,0,0]=3 890 B12R1.17 BrC1=CC=CC(=N1)C(=O)OCC AK-25598 [0,2,0,0,0,0|1,0,0]=3 891 B12R1.17 C1=C(C(CC#N)=O)C=CC=C1Cl AK-73097 [0,2,0,0,0,0|1,0,1]=4 892 B12R1.17 C1=C(C(OCC)=O)C=NC=C1Br AK-25588 [0,2,0,0,0,0|1,0,0]=3 893 B12R1.17 C1=C(C=CC=C1C(OCC)=O)I AK-73125 [0,2,0,0,0,0|0,0,0]=2 894 B12R1.17 CCOC(=O)C1=CC(=O)C=CO1 AK-84626 [0,2,0,0,0,0|1,0,0]=3 895 B12R1.17 CCOC(=O)C1=CC(Br)=NC=C1 AK-29726 [0,2,0,0,0,0|1,0,0]=3 896 B12R1.17 CCOC(=O)C1=CC(Cl)=NC=N1 AK-47261 [0,2,0,0,0,0|2,0,0]=4 897 B12R1.17 CCOC(=O)C1=CN=CC(Cl)=N1 AK104857 [0,2,0,0,0,0|2,0,0]=4 898 B12R1.17 ClC1=NC=CC(=C1)C(=O)OCC AK-29371 [0,2,0,0,0,0|1,0,0]=3 899 B12R1.17 NC1=NC(=NC=C1)C(=O)OCC AK-27285 [0,2,0,0,0,0|2,0,0]=4 900 B12R1.17 O=C(C1=CC(Cl)=NN=C1)OCC AK-39549 [0,2,0,0,0,0|2,0,0]=4 901 B12R1.17 O=C(C1=NC(Cl)=NC=C1)OCC AK-76171 [0,2,0,0,0,0|2,0,0]=4 902 B12R1.17 O=C(C=1NC=NC(C1)=O)OCC AK-82793 [0,2,0,0,0,0|2,0,0]=4 903 B12R1.17 O=C(OCC)C1=CC=CC(Cl)=C1 AK-51253 [0,2,0,0,0,0|0,0,0]=2 904 B12R1.17 O=C(OCC)C1=CC=CC(N)=C1 AK103327 [0,2,0,0,0,0|0,0,0]=2 905 B12R1.17 O=C(OCC)C1=CC=CC(O)=C1 AK-76827 [0,2,0,0,0,0|0,0,0]=2 906 B12R1.17 O=C(OCC)C1=CC=NC(N)=C1 AK-33137 [0,2,0,0,0,0|1,0,0]=3 907 B12R1.17 O=C(OCC)C1=CN=CC(C)=C1 AK-39650 [0,2,0,0,0,0|1,0,0]=3 908 B12R1.17 O=C(OCC)C1=CN=CC(O)=C1 AK-38038 [0,2,0,0,0,0|1,0,0]=3 909 B12R1.17 O=C(OCC)C1=NC(Cl)=CC=C1 AK-76189 [0,2,0,0,0,0|1,0,0]=3 910 B12R1.17 O=C(OCC)C1=NC(N)=CC=C1 AK-41615 [0,2,0,0,0,0|1,0,0]=3 911 B12R1.17 O=C(OCC)C1=NC=CC(Br)=C1 AK-28555 [0,2,0,0,0,0|1,0,0]=3 912 B12R1.17 O=C(OCC)C1=NC=CC(Cl)=C1 AK121835 [0,2,0,0,0,0|1,0,0]=3 913 B12R1.17 O=C(OCC)C1=NC=CC(N)=C1 AK133247 [0,2,0,0,0,0|1,0,0]=3 914 B12R1.30 C1=CC=NC=C1C(NCCO)=O AK-39366 [0,2,0,0,0,0|2,0,0]=4 915 B12R1.30 CNCCC(C1=CC=CC=C1)=O AK400477 [0,2,0,0,0,0|1,0,0]=3 916 B12R1.30 O=C(OCCC)C1=CC=CC=C1 AK-93452 [0,2,0,0,0,0|0,0,0]=2 917 B12R1.30 O=CNCC(C1=CC=CC=C1)=O AK-93558 [0,2,0,0,0,0|1,0,1]=4 918 B12R1.107 CC(CC(C1=CC=CC=C1)=O)=O AK161752 [0,2,0,0,0,0|1,0,0]=3 919 B12R1.107 CC(NC(C1=CC=CC=C1)=C)=O AK326935 [0,2,0,0,0,0|2,0,0]=4 920 B12R1.107 CC(OC(C1=CC=CC=C1)C)=O AK122381 [0,2,0,0,0,0|1,0,1]=4 921 B12R1.308 C(C)OC(C1=CN=CC=C1Cl)=O AK-29976 [0,2,0,0,0,0|1,0,0]=3 922 B12R1.308 C(OC(=O)C1=CN=CNC1=O)C AK-24103 [0,2,0,0,0,0|2,0,0]=4 923 B12R1.308 C1=CC=CC(=C1C(OCC)=O)F AK-46540 [0,2,0,0,0,0|0,0,0]=2 924 B12R1.308 C1=CC=NC(=C1C(OCC)=O)Cl AK-39200 [0,2,0,0,0,0|1,0,0]=3 925 B12R1.308 CCOC(=O)C1=C(C)N=CN=C1 AK-82588 [0,2,0,0,0,0|2,0,0]=4 926 B12R1.308 CCOC(=O)C1=CC=CN=C1Br AK-35509 [0,2,0,0,0,0|1,0,0]=3 927 B12R1.308 CCOC(=O)C1=CC=CN=C1C AK-25491 [0,2,0,0,0,0|1,0,0]=3 928 B12R1.308 ClC1=NC=NC=C1C(=O)OCC AK-24102 [0,2,0,0,0,0|2,0,0]=4 929 B12R1.308 NC1=C(C(=O)OCC)C=CC=N1 AK-23890 [0,2,0,0,0,0|1,0,0]=3 930 B12R1.308 NC1=C(C=CN=C1)C(=O)OCC AK-21982 [0,2,0,0,0,0|1,0,0]=3 931 B12R1.308 O=C(C1=CN=CN=C1N)OCC AK-30805 [0,2,0,0,0,0|2,0,0]=4 932 B12R1.308 O=C(C1=NC=CN=C1Cl)OCC AK-26615 [0,2,0,0,0,0|2,0,0]=4 933 B12R1.308 O=C(OCC)C1=CC=CC=C1Cl AK117233 [0,2,0,0,0,0|0,0,0]=2 934 B12R1.308 O=C(OCC)C1=CC=CC=C1I AK-94262 [0,2,0,0,0,0|0,0,0]=2 935 B12R1.308 O=C(OCC)C1=CC=CC=C1O AK114211 [0,2,0,0,0,0|0,0,0]=2 936 B12R1.308 O=C(OCC)C1=CC=NC=C1Cl AK167712 [0,2,0,0,0,0|1,0,0]=3 937 B12R1.308 O=C(OCC)C1=NC=CC=C1Br AK128513 [0,2,0,0,0,0|1,0,0]=3 938 B12R1.308 O=C(OCC)C1=NC=CC=C1N AK-76176 [0,2,0,0,0,0|1,0,0]=3 939 B12R1.308 O=C(OCC)C1=NC=CC=C1O AK126269 [0,2,0,0,0,0|1,0,0]=3 940 B12R1.5 C(=O)C1=NC=C(C(=O)OC)C=C1 AK-30222 [0,2,0,0,0,0|1,0,0]=3 941 B12R1.5 C(C)C1=CC=C(C=C1)C(=O)C=O AK-10028 [0,2,0,0,0,0|2,0,0]=4 942 B12R1.5 C1=C(C(OC)=O)C=CC(=C1)C=O AK-30551 [0,2,0,0,0,0|0,0,0]=2 943 B12R1.5 C1=CC(=CC=C1C(OC)=O)C#N AK-46102 [0,2,0,0,0,0|0,0,0]=2 944 B12R1.5 C1=CC(=CC=C1OC)C(OC)=O AK-46595 [0,2,0,0,0,0|0,0,0]=2 945 B12R1.5 CCC(C1=CC=C(CC)C=C1)=O AK-94191 [0,2,0,0,0,0|1,0,0]=3 946 B12R1.5 CCC1=CC=C(C=C1)C(=O)CBr AK110622 [0,2,0,0,0,0|2,0,0]=4 947 B12R1.5 COC(=O)C1=CC=C(CCl)C=C1 AK-46926 [0,2,0,0,0,0|0,0,0]=2 948 B12R1.5 COC(=O)C1=CN=C(C=O)C=N1 AK-89118 [0,2,0,0,0,0|2,0,0]=4 949 B12R1.5 COC(=O)C1=CN=C(CBr)C=C1 AK-49350 [0,2,0,0,0,0|1,0,0]=3 950 B12R1.5 COC(=O)C1=NC=C(N=C1)CBr AK-39552 [0,2,0,0,0,0|2,0,0]=4 951 B12R1.5 COC(C1=CN=C(C=C1)CO)=O AK-23866 [0,2,0,0,0,0|1,0,0]=3 952 B12R1.5 COC1=CC=C(C(CBr)=O)C=C1 AK114282 [0,2,0,0,0,0|2,0,0]=4 953 B12R1.5 O=C(NC)C1=CC=C(OC)C=C1 AK120611 [0,2,0,0,0,0|1,0,0]=3 954 B12R1.5 O=C(NN)C1=CC=C(C#N)C=C1 AK-92904 [0,2,0,0,0,0|2,0,0]=4 955 B12R1.5 O=C(OC)C1=CC=C(C#C)C=C1 AK-88481 [0,2,0,0,0,0|0,0,0]=2 956 B12R1.5 O=C(OC)C1=CC=C(CN)C=C1 AK-46915 [0,2,0,0,0,0|0,0,0]=2 957 B12R1.5 O=C(OC)C1=CC=C(NN)C=C1 AK165897 [0,2,0,0,0,0|0,0,0]=2 958 B12R1.5 O=C(OC)C1=CN=C(C#C)C=C1 AK151766 [0,2,0,0,0,0|1,0,0]=3 959 B12R1.5 O=C(OC)C1=CN=C(OC)C=C1 AK-29959 [0,2,0,0,0,0|1,0,0]=3 960 B12R1.5 O=C(OC)C1=NC=C(CBr)C=C1 AK153186 [0,2,0,0,0,0|1,0,0]=3 961 B12R1.20 C1=C(C(C(O)O)=O)C=CC(=C1)Br AK-10006 [0,2,0,0,0,0|2,0,0]=4 962 B12R1.20 CC(C)C(C1=CC=C(Br)C=C1)=O AK106568 [0,2,0,0,0,0|1,0,0]=3 963 B12R1.20 CC(C)C(C1=CC=C(Cl)C=C1)=O AK163961 [0,2,0,0,0,0|1,0,0]=3 964 B12R1.20 CC1=CC=C(C=C1)C(=O)C(O)O AK-10007 [0,2,0,0,0,0|2,0,0]=4 965 B12R1.20 O=C(N(C)C)C1=CN=C(Cl)C=C1 AK111806 [0,2,0,0,0,0|2,0,0]=4 966 B12R1.367 BrC1=C(C=C(C(=O)OC)C=C1)O AK-46937 [0,2,0,0,0,0|0,0,0]=2 967 B12R1.367 C1=C(C(=CC=C1C(OC)=O)C)N AK-47538 [0,2,0,0,0,0|0,0,0]=2 968 B12R1.367 C1=C(C(=O)OC)C=NC(=C1Br)Cl AK-23917 [0,2,0,0,0,0|1,0,0]=3 969 B12R1.367 C1=C(C(OC)=O)C=CC(=C1N)N AK-49131 [0,2,0,0,0,0|0,0,0]=2 970 B12R1.367 C1=C(C=CC(=C1Br)C)C(OC)=O AK-47512 [0,2,0,0,0,0|0,0,0]=2 971 B12R1.367 C1=C(C=CC(=C1C)Br)C(OC)=O AK-32180 [0,2,0,0,0,0|0,0,0]=2 972 B12R1.367 CCC(C1=CC=C(C)C(C)=C1)=O AK-63917 [0,2,0,0,0,0|1,0,0]=3 973 B12R1.367 CCC(C1=CC=C(F)C(F)=C1)=O AK115109 [0,2,0,0,0,0|1,0,0]=3 974 B12R1.367 COC(=O)C1=CC(Br)=C(F)C=C1 AK-81963 [0,2,0,0,0,0|0,0,0]=2 975 B12R1.367 COC(=O)C1=CC(Br)=C(I)C=C1 AK-80259 [0,2,0,0,0,0|0,0,0]=2 976 B12R1.367 COC(=O)C1=CC(Br)=C(N)C=C1 AK-32787 [0,2,0,0,0,0|0,0,0]=2 977 B12R1.367 COC(=O)C1=CC(C)=C(I)C=C1 AK-26110 [0,2,0,0,0,0|0,0,0]=2 978 B12R1.367 COC(=O)C1=CC(Cl)=C(N)C=C1 AK-86922 [0,2,0,0,0,0|0,0,0]=2 979 B12R1.367 COC(=O)C1=CC(I)=C(N)C=C1 AK-61655 [0,2,0,0,0,0|0,0,0]=2 980 B12R1.367 COC(=O)C1=CC(O)=C(Cl)C=C1 AK-76886 [0,2,0,0,0,0|0,0,0]=2 981 B12R1.367 COC(=O)C1=CN=C(Cl)C(C)=N1 AK-89438 [0,2,0,0,0,0|2,0,0]=4 982 B12R1.367 COC(=O)C1=COC(=O)C(Br)=C1 AK111325 [0,2,0,0,0,0|1,0,0]=3 983 B12R1.367 COC(C1=CC(=C(C=C1)Cl)F)=O AK-39900 [0,2,0,0,0,0|0,0,0]=2 984 B12R1.367 ClC1=C(C=CC(=C1)C(=O)C=O)Cl AK-10037 [0,2,0,0,0,0|2,0,0]=4 985 B12R1.367 ClC1=C(C=CC(=C1)C(=O)OC)F AK-72962 [0,2,0,0,0,0|0,0,0]=2 986 B12R1.367 ClC1=CC=C(C(CBr)=O)C=C1Cl AK-46858 [0,2,0,0,0,0|2,0,0]=4 987 B12R1.367 FC1=C(C=C(C(=O)OC)C=C1)C AK-46648 [0,2,0,0,0,0|0,0,0]=2 988 B12R1.367 NC1=C(C=CC(=C1)C(=O)OC)Br AK-35256 [0,2,0,0,0,0|0,0,0]=2 989 B12R1.367 NC1=C(C=CC(=C1)C(=O)OC)F AK-40058 [0,2,0,0,0,0|0,0,0]=2 990 B12R1.367 O=C(C1=CC=C(Br)C(N1)=O)OC AK100454 [0,2,0,0,0,0|1,0,0]=3 991 B12R1.367 O=C(C1=CC=C(F)C(F)=C1)C=O AK-10019 [0,2,0,0,0,0|2,0,0]=4 992 B12R1.367 O=C(OC)C1=CC=C(Br)C(F)=C1 AK-44121 [0,2,0,0,0,0|0,0,0]=2 993 B12R1.367 O=C(OC)C1=CC=C(C)C(F)=C1 AK-39787 [0,2,0,0,0,0|0,0,0]=2 994 B12R1.367 O=C(OC)C1=CC=C(Cl)C(C)=C1 AK117510 [0,2,0,0,0,0|0,0,0]=2 995 B12R1.367 O=C(OC)C1=CC=C(Cl)C(N)=C1 AK115355 [0,2,0,0,0,0|0,0,0]=2 996 B12R1.367 O=C(OC)C1=CC=C(I)C(N)=C1 AK-61810 [0,2,0,0,0,0|0,0,0]=2 997 B12R1.367 O=C(OC)C1=CC=C(I)C(O)=C1 AK-31800 [0,2,0,0,0,0|0,0,0]=2 998 B12R1.367 O=C(OC)C1=CC=C(N)C(C)=C1 AK-41505 [0,2,0,0,0,0|0,0,0]=2 999 B12R1.367 O=C(OC)C1=CC=C(N)C(F)=C1 AK-53872 [0,2,0,0,0,0|0,0,0]=2 1000 B12R1.367 O=C(OC)C1=CC=C(N)C(O)=C1 AK-45500 [0,2,0,0,0,0|0,0,0]=2 1001 B12R1.367 O=C(OC)C1=CC=C(O)C(Br)=C1 AK-68225 [0,2,0,0,0,0|0,0,0]=2 1002 B12R1.367 O=C(OC)C1=CC=C(O)C(C)=C1 AK-78928 [0,2,0,0,0,0|0,0,0]=2 1003 B12R1.367 O=C(OC)C1=CC=C(O)C(Cl)=C1 AK-82339 [0,2,0,0,0,0|0,0,0]=2 1004 B12R1.367 O=C(OC)C1=CC=C(O)C(F)=C1 AK-79057 [0,2,0,0,0,0|0,0,0]=2 1005 B12R1.367 O=C(OC)C1=CC=C(O)C(I)=C1 AK-47890 [0,2,0,0,0,0|0,0,0]=2 1006 B12R1.367 O=C(OC)C1=CC=C(O)C(N)=C1 AK-76584 [0,2,0,0,0,0|0,0,0]=2 1007 B12R1.367 O=C(OC)C1=CC=C(O)C(O)=C1 AK-73115 [0,2,0,0,0,0|0,0,0]=2 1008 B12R1.367 O=C(OC)C1=CN=C(Br)C(C)=C1 AK-29742 [0,2,0,0,0,0|1,0,0]=3 1009 B12R1.367 O=C(OC)C1=CN=C(Cl)C(Cl)=C1 AK123985 [0,2,0,0,0,0|1,0,0]=3 1010 B12R1.367 O=C(OC)C1=CN=C(N)C(Br)=C1 AK-25058 [0,2,0,0,0,0|1,0,0]=3 1011 B12R1.367 O=C(OC)C1=NC(Br)=C(N)C=C1 AK339630 [0,2,0,0,0,0|1,0,0]=3 1012 B12R1.367 O=C(OC)C1=NC(C)=C(F)C=C1 AK-82789 [0,2,0,0,0,0|1,0,0]=3 1013 B12R1.367 O=C(OC)C1=NC(Cl)=C(Br)C=C1 AK100450 [0,2,0,0,0,0|1,0,0]=3 1014 B12R1.367 O=C(OC)C1=NC(Cl)=C(C)C=C1 AK-88627 [0,2,0,0,0,0|1,0,0]=3 1015 B12R1.367 O=C(OC)C1=NC(N)=C(Br)C=C1 AK-51186 [0,2,0,0,0,0|1,0,0]=3 1016 B12R1.367 O=C(OC)C1=NC(O)=C(O)C=C1 AK-26588 [0,2,0,0,0,0|1,0,0]=3 1017 B12R1.367 O=C(OC)C1=NC=C(Br)C(C)=C1 AK-36736 [0,2,0,0,0,0|1,0,0]=3 1018 B12R1.367 O=C(OC)C1=NC=C(C)C(Cl)=C1 AK-88624 [0,2,0,0,0,0|1,0,0]=3 1019 B12R1.367 O=C(OC)C1=NC=C(N)C(N)=C1 AK-82285 [0,2,0,0,0,0|1,0,0]=3 1020 B12R1.367 OC1=CC=C(C(CCl)=O)C=C1O AK-88433 [0,2,0,0,0,0|2,0,0]=4 1021 B12R1.1703 BrC1=C(C(=O)OC)C=CC(=C1)C AK-46754 [0,2,0,0,0,0|0,0,0]=2 1022 B12R1.1703 BrC1=CC(=C(C(=O)OC)C=C1)C AK-28097 [0,2,0,0,0,0|0,0,0]=2 1023 B12R1.1703 BrC1=NC(=CN=C1C(=O)OC)Br AK-30888 [0,2,0,0,0,0|2,0,0]=4 1024 B12R1.1703 C1=C(C(=CC(=C1)F)Cl)C(OC)=O AK-47401 [0,2,0,0,0,0|0,0,0]=2 1025 B12R1.1703 C1=C(C(=CC(=C1)O)O)C(OC)=O AK-50554 [0,2,0,0,0,0|0,0,0]=2 1026 B12R1.1703 C1=CC(=CC(=C1C(OC)=O)O)N AK-45502 [0,2,0,0,0,0|0,0,0]=2 1027 B12R1.1703 COC(=O)C1=C(Br)C=C(F)C=C1 AK-46746 [0,2,0,0,0,0|0,0,0]=2 1028 B12R1.1703 COC(=O)C1=C(C)C=C(I)C=C1 AK-77363 [0,2,0,0,0,0|0,0,0]=2 1029 B12R1.1703 COC(=O)C1=C(F)C=C(Br)C=C1 AK-46835 [0,2,0,0,0,0|0,0,0]=2 1030 B12R1.1703 COC(=O)C1=C(N)C=C(I)C=C1 AK-37605 [0,2,0,0,0,0|0,0,0]=2 1031 B12R1.1703 COC(=O)C1=C(O)C=C(C)C=C1 AK-82342 [0,2,0,0,0,0|0,0,0]=2 1032 B12R1.1703 COC(=O)C1=CC=C(C)C=C1N AK-61296 [0,2,0,0,0,0|0,0,0]=2 1033 B12R1.1703 COC(=O)C1=CC=C(O)C=C1Cl AK-32726 [0,2,0,0,0,0|0,0,0]=2 1034 B12R1.1703 COC(=O)C1=NC=C(C=C1C)Br AK-25600 [0,2,0,0,0,0|1,0,0]=3 1035 B12R1.1703 COC(C1=C(C=C(C=C1)N)F)=O AK-75833 [0,2,0,0,0,0|0,0,0]=2 1036 B12R1.1703 ClC1=C(N=NC(=C1)Cl)C(=O)OC AK-34901 [0,2,0,0,0,0|2,0,0]=4 1037 B12R1.1703 ClC1=CC(=NC=C1C(=O)OC)Cl AK-23913 [0,2,0,0,0,0|1,0,0]=3 1038 B12R1.1703 FC1=C(C(=O)OC)C=CC(=C1)O AK-41478 [0,2,0,0,0,0|0,0,0]=2 1039 B12R1.1703 FC1=CC(=C(C(=O)OC)C=C1)O AK-49085 [0,2,0,0,0,0|0,0,0]=2 1040 B12R1.1703 FC1=CC=C(C(CCl)=O)C(F)=C1 AK-51748 [0,2,0,0,0,0|2,0,0]=4 1041 B12R1.1703 NC1=CC(=C(C(=O)OC)C=C1)C AK-46101 [0,2,0,0,0,0|0,0,0]=2 1042 B12R1.1703 NC1=CC(=C(C(=O)OC)C=C1)Cl AK-40022 [0,2,0,0,0,0|0,0,0]=2 1043 B12R1.1703 NC1=NC(=NC=C1C(=O)OC)Cl AK-39620 [0,2,0,0,0,0|2,0,0]=4 1044 B12R1.1703 O=C(C1=CN=C(Cl)N=C1Cl)OC AK-25104 [0,2,0,0,0,0|2,0,0]=4 1045 B12R1.1703 O=C(C1=CNC(NC1=O)=O)OC AK123201 [0,2,0,0,0,0|2,0,0]=4 1046 B12R1.1703 O=C(C1=NC=C(Cl)N=C1Cl)OC AK-30887 [0,2,0,0,0,0|2,0,0]=4 1047 B12R1.1703 O=C(C1=NN=C(O)C=C1O)OC AK-51407 [0,2,0,0,0,0|2,0,0]=4 1048 B12R1.1703 O=C(NC)C1=CC=C(Br)C=C1F AK-98185 [0,2,0,0,0,0|1,0,0]=3 1049 B12R1.1703 O=C(NC)C1=CC=C(N)C=C1F AK135551 [0,2,0,0,0,0|1,0,0]=3 1050 B12R1.1703 O=C(OC)C1=C(C)N=C(F)C=C1 AK198785 [0,2,0,0,0,0|1,0,0]=3 1051 B12R1.1703 O=C(OC)C1=C(Cl)N=C(C)C=C1 AK-28460 [0,2,0,0,0,0|1,0,0]=3 1052 B12R1.1703 O=C(OC)C1=C(Cl)N=C(Cl)C=C1 AK-82618 [0,2,0,0,0,0|1,0,0]=3 1053 B12R1.1703 O=C(OC)C1=CC=C(Br)C=C1Cl AK107560 [0,2,0,0,0,0|0,0,0]=2 1054 B12R1.1703 O=C(OC)C1=CC=C(Br)C=C1N AK-53857 [0,2,0,0,0,0|0,0,0]=2 1055 B12R1.1703 O=C(OC)C1=CC=C(Br)C=C1O AK-88441 [0,2,0,0,0,0|0,0,0]=2 1056 B12R1.1703 O=C(OC)C1=CC=C(C)C=C1C AK140642 [0,2,0,0,0,0|0,0,0]=2 1057 B12R1.1703 O=C(OC)C1=CC=C(Cl)C=C1Br AK-64354 [0,2,0,0,0,0|0,0,0]=2 1058 B12R1.1703 O=C(OC)C1=CC=C(Cl)C=C1I AK201245 [0,2,0,0,0,0|0,0,0]=2 1059 B12R1.1703 O=C(OC)C1=CC=C(Cl)C=C1N AK-72924 [0,2,0,0,0,0|0,0,0]=2 1060 B12R1.1703 O=C(OC)C1=CC=C(Cl)C=C1O AK-46989 [0,2,0,0,0,0|0,0,0]=2 1061 B12R1.1703 O=C(OC)C1=CC=C(F)C=C1C AK-63369 [0,2,0,0,0,0|0,0,0]=2 1062 B12R1.1703 O=C(OC)C1=CC=C(F)C=C1F AK-39185 [0,2,0,0,0,0|0,0,0]=2 1063 B12R1.1703 O=C(OC)C1=CC=C(I)C=C1F AK174064 [0,2,0,0,0,0|0,0,0]=2 1064 B12R1.1703 O=C(OC)C1=CC=C(I)C=C1O AK144550 [0,2,0,0,0,0|0,0,0]=2 1065 B12R1.1703 O=C(OC)C1=CN=C(Br)C=C1Cl AK157951 [0,2,0,0,0,0|1,0,0]=3 1066 B12R1.1703 O=C(OC)C1=CN=C(C)C=C1N AK321488 [0,2,0,0,0,0|1,0,0]=3 1067 B12R1.1703 O=C(OC)C1=CN=C(N)C=C1Cl AK543110 [0,2,0,0,0,0|1,0,0]=3 1068 B12R1.1703 O=C(OC)C1=CN=C(O)C=C1O AK-65278 [0,2,0,0,0,0|1,0,0]=3 1069 B12R1.1703 O=C(OC)C1=NC=C(Br)C=C1Cl AK128538 [0,2,0,0,0,0|1,0,0]=3 1070 B12R1.1703 O=C(OC)C1=NC=C(F)C=C1C AK146488 [0,2,0,0,0,0|1,0,0]=3 1071 B12R1.24 BrC1=C(C(=O)OC)C=CC=C1C AK-26780 [0,2,0,0,0,0|0,0,0]=2 1072 B12R1.24 C1=C(C(=C(C=C1)C)N)C(OC)=O AK-32253 [0,2,0,0,0,0|0,0,0]=2 1073 B12R1.24 C1=C(C(=C(Cl)C=C1)O)C(=O)OC AK-40718 [0,2,0,0,0,0|0,0,0]=2 1074 B12R1.24 COC(=O)C1=C(C)C(Br)=CC=C1 AK-40045 [0,2,0,0,0,0|0,0,0]=2 1075 B12R1.24 COC(=O)C1=CC=CC(Br)=C1F AK-54792 [0,2,0,0,0,0|0,0,0]=2 1076 B12R1.24 COC(C1=C(C(=CC=C1)Cl)N)=O AK-72996 [0,2,0,0,0,0|0,0,0]=2 1077 B12R1.24 COC(C1=C(C(=CC=C1)N)N)=O AK-46703 [0,2,0,0,0,0|0,0,0]=2 1078 B12R1.24 COC(C1=C(C(=NC=C1)Cl)F)=O AK-35915 [0,2,0,0,0,0|1,0,0]=3 1079 B12R1.24 NC1=C(C(=O)OC)C=CC=C1F AK-73081 [0,2,0,0,0,0|0,0,0]=2 1080 B12R1.24 O=C(C#N)C1=CC=CC(Cl)=C1Cl AK117250 [0,2,0,0,0,0|2,0,0]=4 1081 B12R1.24 O=C(C1=CC=CC(N1C)=O)OC AK130484 [0,2,0,0,0,0|1,0,0]=3 1082 B12R1.24 O=C(NN)C1=CC=CC(Cl)=C1Cl AK-98198 [0,2,0,0,0,0|2,0,0]=4 1083 B12R1.24 O=C(OC)C1=CC=CC(Br)=C1Cl AK145354 [0,2,0,0,0,0|0,0,0]=2 1084 B12R1.24 O=C(OC)C1=CC=CC(Br)=C1N AK-50612 [0,2,0,0,0,0|0,0,0]=2 1085 B12R1.24 O=C(OC)C1=CC=CC(Br)=C1O AK136127 [0,2,0,0,0,0|0,0,0]=2 1086 B12R1.24 O=C(OC)C1=CC=CC(C)=C1C AK136365 [0,2,0,0,0,0|0,0,0]=2 1087 B12R1.24 O=C(OC)C1=CC=CC(C)=C1F AK-86744 [0,2,0,0,0,0|0,0,0]=2 1088 B12R1.24 O=C(OC)C1=CC=CC(Cl)=C1Cl AK115924 [0,2,0,0,0,0|0,0,0]=2 1089 B12R1.24 O=C(OC)C1=CC=CC(F)=C1O AK116128 [0,2,0,0,0,0|0,0,0]=2 1090 B12R1.24 O=C(OC)C1=CC=CC(I)=C1C AK-94556 [0,2,0,0,0,0|0,0,0]=2 1091 B12R1.24 O=C(OC)C1=CC=CC(N)=C1Br AK-32786 [0,2,0,0,0,0|0,0,0]=2 1092 B12R1.24 O=C(OC)C1=CC=CC(N)=C1C AK-61635 [0,2,0,0,0,0|0,0,0]=2 1093 B12R1.24 O=C(OC)C1=CC=CC(N)=C1Cl AK141780 [0,2,0,0,0,0|0,0,0]=2 1094 B12R1.24 O=C(OC)C1=CC=CC(O)=C1N AK-59663 [0,2,0,0,0,0|0,0,0]=2 1095 B12R1.24 O=C(OC)C1=CC=NC(Cl)=C1C AK-82326 [0,2,0,0,0,0|1,0,0]=3 1096 B12R1.24 O=C(OC)C1=CC=NC(Cl)=C1Cl AK114429 [0,2,0,0,0,0|1,0,0]=3 1097 B12R1.24 O=C(OC)C1=CC=NC(Cl)=C1N AK-28890 [0,2,0,0,0,0|1,0,0]=3 1098 B12R1.24 O=C(OC)C1=CC=NC(F)=C1F AK-53681 [0,2,0,0,0,0|1,0,0]=3 1099 B12R1.24 O=C(OC)C1=CN=CC(Br)=C1O AK137339 [0,2,0,0,0,0|1,0,0]=3 1100 B12R1.24 O=C(OC)C1=NC=CC(Cl)=C1C AK-32423 [0,2,0,0,0,0|1,0,0]=3 1101 B12R1.24 O=C(OC)C1=NC=CC(Cl)=C1F AK100169 [0,2,0,0,0,0|1,0,0]=3 1102 B12R1.225 CC(C)C(C1=CC=CC(Br)=C1)=O AK105989 [0,2,0,0,0,0|1,0,0]=3 1103 B12R1.225 O=C(O)C(C1=CC=CC(Br)=C1)=O AK143405 [0,2,0,0,0,0|2,0,0]=4 1104 B12R1.354 BrC1=CC(=C(N=C1)F)C(=O)OC AK-26871 [0,2,0,0,0,0|1,0,0]=3 1105 B12R1.354 C1=C(Br)N=C(C(=N1)N)C(=O)OC AK-21913 [0,2,0,0,0,0|2,0,0]=4 1106 B12R1.354 C1=C(C(=CC=C1Br)C)C(=O)OC AK-72499 [0,2,0,0,0,0|0,0,0]=2 1107 B12R1.354 C1=C(Cl)C=CC(=C1C(OC)=O)N AK-70910 [0,2,0,0,0,0|0,0,0]=2 1108 B12R1.354 C1=C(O)C=CC(=C1C(OC)=O)O AK-46580 [0,2,0,0,0,0|0,0,0]=2 1109 B12R1.354 COC(=O)C1=C(Br)C=CC(C)=C1 AK-64919 [0,2,0,0,0,0|0,0,0]=2 1110 B12R1.354 COC(=O)C1=C(Br)C=CC(Cl)=C1 AK-46759 [0,2,0,0,0,0|0,0,0]=2 1111 B12R1.354 COC(=O)C1=C(Br)C=CC(F)=C1 AK-53851 [0,2,0,0,0,0|0,0,0]=2 1112 B12R1.354 COC(=O)C1=C(Cl)C=CC(O)=C1 AK-40211 [0,2,0,0,0,0|0,0,0]=2 1113 B12R1.354 COC(=O)C1=C(Cl)N=CC(C)=C1 AK-67048 [0,2,0,0,0,0|1,0,0]=3 1114 B12R1.354 COC(=O)C1=C(F)C=CC(F)=C1 AK-79666 [0,2,0,0,0,0|0,0,0]=2 1115 B12R1.354 COC(=O)C1=C(I)C=CC(Br)=C1 AK-48957 [0,2,0,0,0,0|0,0,0]=2 1116 B12R1.354 COC(=O)C1=C(I)C=CC(F)=C1 AK-43507 [0,2,0,0,0,0|0,0,0]=2 1117 B12R1.354 COC(=O)C1=C(N)C=CC(C)=C1 AK-40247 [0,2,0,0,0,0|0,0,0]=2 1118 B12R1.354 COC(=O)C1=C(N)C=CC(F)=C1 AK-79131 [0,2,0,0,0,0|0,0,0]=2 1119 B12R1.354 COC(=O)C1=C(O)C=CC(Br)=C1 AK-59850 [0,2,0,0,0,0|0,0,0]=2 1120 B12R1.354 COC(=O)C1=C(O)C=CC(N)=C1 AK-82780 [0,2,0,0,0,0|0,0,0]=2 1121 B12R1.354 COC(=O)C1=CC(Br)=CNC1=O AK-44252 [0,2,0,0,0,0|1,0,0]=3 1122 B12R1.354 FC1=CC(=C(C=C1)C)C(=O)OC AK-49054 [0,2,0,0,0,0|0,0,0]=2 1123 B12R1.354 NC1=C(C(=O)OC)C=C(C=C1)O AK-28110 [0,2,0,0,0,0|0,0,0]=2 1124 B12R1.354 NC1=C(C(=O)OC)C=C(C=N1)C AK-28006 [0,2,0,0,0,0|1,0,0]=3 1125 B12R1.354 NC1=CC(=C(C=C1)C)C(=O)OC AK-25532 [0,2,0,0,0,0|0,0,0]=2 1126 B12R1.354 NC1=NC=C(C(=N1)C(=O)OC)Br AK-30886 [0,2,0,0,0,0|2,0,0]=4 1127 B12R1.354 NC1=NC=C(C=C1C(=O)OC)Br AK-24044 [0,2,0,0,0,0|1,0,0]=3 1128 B12R1.354 NC1=NC=C(N=C1C(=O)OC)Cl AK-26715 [0,2,0,0,0,0|2,0,0]=4 1129 B12R1.354 NC1=NC=C(N=C1C(=O)OC)I AK-23977 [0,2,0,0,0,0|2,0,0]=4 1130 B12R1.354 O=C(C1=CC(Br)=NC=C1F)OC AK186022 [0,2,0,0,0,0|1,0,0]=3 1131 B12R1.354 O=C(C1=CC(I)=CNC1=O)OC AK-82570 [0,2,0,0,0,0|1,0,0]=3 1132 B12R1.354 O=C(C1=CC(N)=NC=C1Br)OC AK-30491 [0,2,0,0,0,0|1,0,0]=3 1133 B12R1.354 O=C(C1=NC(Br)=CN=C1Br)OC AK-30737 [0,2,0,0,0,0|2,0,0]=4 1134 B12R1.354 O=C(C1=NC(Br)=CN=C1Cl)OC AK-68872 [0,2,0,0,0,0|2,0,0]=4 1135 B12R1.354 O=C(C1=NC(Cl)=CN=C1Br)OC AK-31196 [0,2,0,0,0,0|2,0,0]=4 1136 B12R1.354 O=C(C1=NC(Cl)=CN=C1C)OC AK158180 [0,2,0,0,0,0|2,0,0]=4 1137 B12R1.354 O=C(C1=NC(Cl)=CN=C1Cl)OC AK128607 [0,2,0,0,0,0|2,0,0]=4 1138 B12R1.354 O=C(C1=NC(O)=NC=C1Br)OC AK-76224 [0,2,0,0,0,0|2,0,0]=4 1139 B12R1.354 O=C(NO)C1=CC(Cl)=CC=C1O AK-80149 [0,2,0,0,0,0|2,0,0]=4 1140 B12R1.354 O=C(OC)C1=C(Br)C=NC(O)=C1 AK-29594 [0,2,0,0,0,0|1,0,0]=3 1141 B12R1.354 O=C(OC)C1=C(Br)N=CC(C)=C1 AK100323 [0,2,0,0,0,0|1,0,0]=3 1142 B12R1.354 O=C(OC)C1=C(C)N=CC(Cl)=C1 AK-39713 [0,2,0,0,0,0|1,0,0]=3 1143 B12R1.354 O=C(OC)C1=C(Cl)C=NC(Cl)=C1 AK126033 [0,2,0,0,0,0|1,0,0]=3 1144 B12R1.354 O=C(OC)C1=C(Cl)N=CC(Br)=C1 AK-23916 [0,2,0,0,0,0|1,0,0]=3 1145 B12R1.354 O=C(OC)C1=C(Cl)N=CC(Cl)=C1 AK-36081 [0,2,0,0,0,0|1,0,0]=3 1146 B12R1.354 O=C(OC)C1=C(F)N=CC(F)=C1 AK187952 [0,2,0,0,0,0|1,0,0]=3 1147 B12R1.354 O=C(OC)C1=C(N)N=CC(Cl)=C1 AK-76210 [0,2,0,0,0,0|1,0,0]=3 1148 B12R1.354 O=C(OC)C1=C(N)N=CC(I)=C1 AK136170 [0,2,0,0,0,0|1,0,0]=3 1149 B12R1.354 O=C(OC)C1=CC(Br)=CC=C1Br AK113243 [0,2,0,0,0,0|0,0,0]=2 1150 B12R1.354 O=C(OC)C1=CC(Br)=CC=C1F AK104796 [0,2,0,0,0,0|0,0,0]=2 1151 B12R1.354 O=C(OC)C1=CC(Br)=CC=C1N AK-42294 [0,2,0,0,0,0|0,0,0]=2 1152 B12R1.354 O=C(OC)C1=CC(Cl)=CC=C1Cl AK135726 [0,2,0,0,0,0|0,0,0]=2 1153 B12R1.354 O=C(OC)C1=CC(Cl)=CC=C1I AK194044 [0,2,0,0,0,0|0,0,0]=2 1154 B12R1.354 O=C(OC)C1=CC(Cl)=CC=C1O AK-80153 [0,2,0,0,0,0|0,0,0]=2 1155 B12R1.354 O=C(OC)C1=CC(F)=CC=C1O AK-81427 [0,2,0,0,0,0|0,0,0]=2 1156 B12R1.354 O=C(OC)C1=CC(I)=CC=C1C AK130391 [0,2,0,0,0,0|0,0,0]=2 1157 B12R1.354 O=C(OC)C1=CC(I)=CC=C1Cl AK113568 [0,2,0,0,0,0|0,0,0]=2 1158 B12R1.354 O=C(OC)C1=CC(N)=CC=C1Br AK126705 [0,2,0,0,0,0|0,0,0]=2 1159 B12R1.354 O=C(OC)C1=CC(N)=CC=C1Cl AK-61315 [0,2,0,0,0,0|0,0,0]=2 1160 B12R1.354 O=C(OC)C1=CC(O)=CC=C1F AK-64940 [0,2,0,0,0,0|0,0,0]=2 1161 B12R1.354 O=C(OC)C1=NC(C)=CC=C1O AK123477 [0,2,0,0,0,0|1,0,0]=3 1162 B12R1.354 O=C(OC)C1=NC(Cl)=CC=C1C AK-32402 [0,2,0,0,0,0|1,0,0]=3 1163 B12R1.354 O=C(OC)C1=NC(Cl)=CC=C1N AK-47130 [0,2,0,0,0,0|1,0,0]=3 1164 B12R1.358 C1=C(C(OC)=O)C=C(Br)C=C1Br AK-45314 [0,2,0,0,0,0|0,0,0]=2 1165 B12R1.358 C1=C(N=C(C=C1C(OC)=O)Cl)Cl AK-39362 [0,2,0,0,0,0|1,0,0]=3 1166 B12R1.358 CC1=CC(C(OC)=O)=CC(Cl)=N1 AK-25921 [0,2,0,0,0,0|1,0,0]=3 1167 B12R1.358 COC(=O)C1=CC(Br)=CC(F)=C1 AK-98196 [0,2,0,0,0,0|0,0,0]=2 1168 B12R1.358 COC(=O)C1=CC(N)=CC(Cl)=C1 AK-34145 [0,2,0,0,0,0|0,0,0]=2 1169 B12R1.358 COC(=O)C1=CC(O)=CC(O)=C1 AK110747 [0,2,0,0,0,0|0,0,0]=2 1170 B12R1.358 ClC1=CC(=NC(=C1)C(=O)OC)Cl AK-49057 [0,2,0,0,0,0|1,0,0]=3 1171 B12R1.358 ClC1=CC(Cl)=CC(C(CBr)=O)=C1 AK104794 [0,2,0,0,0,0|2,0,0]=4 1172 B12R1.358 O=C(C1=NC(C)=CC(C)=N1)OC AK545433 [0,2,0,0,0,0|2,0,0]=4 1173 B12R1.358 O=C(C1=NC(Cl)=NC(Cl)=C1)OC AK-27760 [0,2,0,0,0,0|2,0,0]=4 1174 B12R1.358 O=C(OC)C1=CC(Br)=CC(N)=C1 AK-98159 [0,2,0,0,0,0|0,0,0]=2 1175 B12R1.358 O=C(OC)C1=CC(C)=CC(Br)=C1 AK-67625 [0,2,0,0,0,0|0,0,0]=2 1176 B12R1.358 O=C(OC)C1=CC(C)=CC(C)=C1 AK117477 [0,2,0,0,0,0|0,0,0]=2 1177 B12R1.358 O=C(OC)C1=CC(C)=CC(N)=C1 AK-46863 [0,2,0,0,0,0|0,0,0]=2 1178 B12R1.358 O=C(OC)C1=CC(C)=NC(Br)=C1 AK-72498 [0,2,0,0,0,0|1,0,0]=3 1179 B12R1.358 O=C(OC)C1=CC(F)=CC(N)=C1 AK-53655 [0,2,0,0,0,0|0,0,0]=2 1180 B12R1.358 O=C(OC)C1=NC(Cl)=CC(C)=C1 AK-76346 [0,2,0,0,0,0|1,0,0]=3 1181 B12R1.358 O=C(OC)C1=NC(N)=CC(Br)=C1 AK-26394 [0,2,0,0,0,0|1,0,0]=3 1182 B12R1.435 C(#N)C1=NC=CC(=C1)C(=O)OC AK-31773 [0,2,0,0,0,0|1,0,0]=3 1183 B12R1.435 C1=C(C=C(C=C1)C(OC)=O)C#N AK-44521 [0,2,0,0,0,0|0,0,0]=2 1184 B12R1.435 C1=C(C=CC=C1C(OC)=O)C=O AK-45765 [0,2,0,0,0,0|0,0,0]=2 1185 B12R1.435 C1=C(C=CC=C1CBr)C(=O)OC AK-45772 [0,2,0,0,0,0|0,0,0]=2 1186 B12R1.435 C1=C(C=CC=C1OC)C(CBr)=O AK-72958 [0,2,0,0,0,0|2,0,0]=4 1187 B12R1.435 COC(=O)C1=CC(CBr)=CN=C1 AK-64761 [0,2,0,0,0,0|1,0,0]=3 1188 B12R1.435 COC(=O)C1=CC=NC(CO)=C1 AK-76202 [0,2,0,0,0,0|1,0,0]=3 1189 B12R1.435 COC(=O)C1=NC(=CC=C1)C#C AK-39902 [0,2,0,0,0,0|1,0,0]=3 1190 B12R1.435 COC(=O)C1=NC(C=O)=CC=C1 AK-39343 [0,2,0,0,0,0|1,0,0]=3 1191 B12R1.435 COC1=CC=CC(=C1)C(CC)=O AK-47465 [0,2,0,0,0,0|1,0,0]=3 1192 B12R1.435 O=C(C1=CC(CN)=NC=C1)OC AK-28325 [0,2,0,0,0,0|1,0,0]=3 1193 B12R1.435 O=C(C1=CC=CC(OC)=C1)C=O AK-10036 [0,2,0,0,0,0|2,0,0]=4 1194 B12R1.435 O=C(C1=NC(OC)=CN=C1)OC AK-68422 [0,2,0,0,0,0|2,0,0]=4 1195 B12R1.435 O=C(C1=NC=CC(OC)=C1)OC AK-45505 [0,2,0,0,0,0|1,0,0]=3 1196 B12R1.435 O=C(OC)C1=CC=CC(C#C)=C1 AK-88599 [0,2,0,0,0,0|0,0,0]=2 1197 B12R1.435 O=C(OC)C1=CC=NC(C#C)=C1 AK151768 [0,2,0,0,0,0|1,0,0]=3 1198 B12R1.435 O=C(OC)C1=CC=NC(C=O)=C1 AK100394 [0,2,0,0,0,0|1,0,0]=3 1199 B12R1.435 O=C(OC)C1=CC=NC(CBr)=C1 AK163967 [0,2,0,0,0,0|1,0,0]=3 1200 B12R1.435 O=C(OC)C1=CC=NC(OC)=C1 AK-28606 [0,2,0,0,0,0|1,0,0]=3 1201 B12R1.435 O=C(OC)C1=CN=CC(C#N)=C1 AK-27141 [0,2,0,0,0,0|1,0,0]=3 1202 B12R1.435 O=C(OC)C1=CN=CC(CCl)=C1 AK134747 [0,2,0,0,0,0|1,0,0]=3 1203 B12R1.435 O=C(OC)C1=CN=CC(CN)=C1 AK543180 [0,2,0,0,0,0|1,0,0]=3 1204 B12R1.435 O=C(OC)C1=CN=CC(CO)=C1 AK-57253 [0,2,0,0,0,0|1,0,0]=3 1205 B12R1.435 O=C(OC)C1=NC(C#N)=CC=C1 AK-39973 [0,2,0,0,0,0|1,0,0]=3 1206 B12R1.435 O=C(OC)C1=NC(CBr)=CC=C1 AK-29873 [0,2,0,0,0,0|1,0,0]=3 1207 B12R1.435 O=C(OC)C1=NC(CC)=CC=C1 AK100751 [0,2,0,0,0,0|1,0,0]=3 1208 B12R1.435 O=C(OC)C1=NC(CF)=CC=C1 AK-26515 [0,2,0,0,0,0|1,0,0]=3 1209 B12R1.435 O=C(OC)C1=NC(CN)=CC=C1 AK154847 [0,2,0,0,0,0|1,0,0]=3 1210 B12R1.435 O=C(OC)C1=NC(CO)=CC=C1 AK-61314 [0,2,0,0,0,0|1,0,0]=3 1211 B12R1.435 O=C(OC)C1=NC(OC)=CC=C1 AK-76230 [0,2,0,0,0,0|1,0,0]=3 1212 B12R1.435 O=C(OC)C1=NC=CC(C=O)=C1 AK112528 [0,2,0,0,0,0|1,0,0]=3 1213 B12R1.435 O=C(OC)C1=NC=CC(CO)=C1 AK144125 [0,2,0,0,0,0|1,0,0]=3 1214 B12R1.124 CC(Br)C(C1=CC=CC=C1Cl)=O AK208953 [0,2,0,0,0,0|1,0,0]=3 1215 B12R1.124 NC1=C(C=CC=C1)C(=O)C([O-])=O AK-80636 [0,2,0,0,0,0|2,0,0]=4 1216 B12R1.124 OC(=O)C(=O)C1=CC=CC=C1Br AK102568 [0,2,0,0,0,0|2,0,0]=4 1217 B12R1.564 CC(C)(O)C(C1=CC=CC=C1)=O AK-98815 [0,2,0,0,0,0|1,0,0]=3 1218 B12R1.77 C1=CC=CC(=C1C(OC)=O)CBr AK-34305 [0,2,0,0,0,0|0,0,0]=2 1219 B12R1.77 COC(=O)C1=C(C=CC=C1)C#N AK-82518 [0,2,0,0,0,0|0,0,0]=2 1220 B12R1.77 COC1=CC=CC=C1C(CBr)=O AK114423 [0,2,0,0,0,0|2,0,0]=4 1221 B12R1.77 COC1=CC=CC=C1C(CN)=O AK141727 [0,2,0,0,0,0|2,0,0]=4 1222 B12R1.77 COC1=CC=CN=C1C(=O)OC AK-29044 [0,2,0,0,0,0|1,0,0]=3 1223 B12R1.77 O=C(OC)C1=C(C#N)N=CC=C1 AK-83585 [0,2,0,0,0,0|1,0,0]=3 1224 B12R1.77 O=C(OC)C1=C(CBr)N=CC=C1 AK128701 [0,2,0,0,0,0|1,0,0]=3 1225 B12R1.77 O=C(OC)C1=C(CN)N=CC=C1 AK173154 [0,2,0,0,0,0|1,0,0]=3 1226 B12R1.77 O=C(OC)C1=C(OC)N=CC=C1 AK-47108 [0,2,0,0,0,0|1,0,0]=3 1227 B12R1.77 O=C(OC)C1=CC=CC=C1C#C AK-64821 [0,2,0,0,0,0|0,0,0]=2 1228 B12R1.77 O=C(OC)C1=CC=CC=C1C=O AK-49779 [0,2,0,0,0,0|0,0,0]=2 1229 B12R1.77 O=C(OC)C1=CC=CC=C1OC AK-94060 [0,2,0,0,0,0|0,0,0]=2 1230 B12R1.77 O=C(OC)C1=NC=CC=C1CBr AK143067 [0,2,0,0,0,0|1,0,0]=3 1231 B12R1.3441 BrC1=C(C(=O)OC)C(=CC=C1)C AK-29651 [0,2,0,0,0,0|0,0,0]=2 1232 B12R1.3441 COC(=O)C1=C(Br)C=CC=C1F AK-98628 [0,2,0,0,0,0|0,0,0]=2 1233 B12R1.3441 COC(=O)C1=C(Cl)C=CC=C1F AK-79668 [0,2,0,0,0,0|0,0,0]=2 1234 B12R1.3441 COC(=O)C1=C(O)C=CC=C1C AK-72747 [0,2,0,0,0,0|0,0,0]=2 1235 B12R1.3441 ClC1=C(C(=O)OC)C(=CC=N1)Cl AK-46583 [0,2,0,0,0,0|1,0,0]=3 1236 B12R1.3441 ClC1=C(C(CBr)=O)C(Cl)=CC=C1 AK-80067 [0,2,0,0,0,0|2,0,0]=4 1237 B12R1.3441 O=C(OC)C1=C(Br)C=CC=C1N AK-58414 [0,2,0,0,0,0|0,0,0]=2 1238 B12R1.3441 O=C(OC)C1=C(C)C=CC=C1N AK-33845 [0,2,0,0,0,0|0,0,0]=2 1239 B12R1.3441 O=C(OC)C1=C(Cl)C=CC=C1Br AK-61908 [0,2,0,0,0,0|0,0,0]=2 1240 B12R1.3441 O=C(OC)C1=C(Cl)C=CC=C1N AK157079 [0,2,0,0,0,0|0,0,0]=2 1241 B12R1.3441 O=C(OC)C1=C(Cl)N=CC=C1I AK-28929 [0,2,0,0,0,0|1,0,0]=3 1242 B12R1.3441 O=C(OC)C1=C(F)C=CC=C1F AK-58617 [0,2,0,0,0,0|0,0,0]=2 1243 B12R1.3441 O=C(OC)C1=C(F)C=NC=C1Br AK134751 [0,2,0,0,0,0|1,0,0]=3 1244 B12R1.3441 O=C(OC)C1=C(F)N=CC=C1I AK-36697 [0,2,0,0,0,0|1,0,0]=3 1245 B12R1.3441 O=C(OC)C1=C(O)C=CC=C1F AK-80495 [0,2,0,0,0,0|0,0,0]=2 1246 B12R1.3441 O=C(OC)C1=C(O)C=CC=C1O AK-64730 [0,2,0,0,0,0|0,0,0]=2 1247 B10R1.20 O=CC1=C(OC)N=CC=C1 AK-36180 [0,0,1,1,0,0|2,0,0]=4 1248 B10R1.20 O=CC1=CC=CC=C1OC AK116922 [0,0,1,1,0,0|2,0,0]=4 1249 B10R1.172 O=CC1=CC=CC(OC)=C1 AK-84426 [0,0,1,1,0,0|2,0,0]=4 1250 B10R1.172 O=CC1=NC(OC)=CC=C1 AK-26099 [0,0,1,1,0,0|2,0,0]=4 1251 B10R2.320 BrC1C2=CC=CC=C2C1 AK163275 [1,0,0,1,0,0|1,0,1]=4 1252 B10R2.320 C1=CC=CC2=C1CC2=O AK-72898 [1,0,0,1,0,0|0,0,0]=2 1253 B10R2.7 C12=C(CNC1)C=CC=C2 AK-46308 [1,0,0,1,0,0|1,0,1]=4 1254 B10R2.7 C12=C(NCC1)C=CC=C2 AK-49832 [1,0,0,1,0,0|2,0,0]=4 1255 B10R2.7 C12=C(NN=C1)C=CC=C2 AK-49124 [1,0,0,1,0,0|2,0,0]=4 1256 B10R2.7 C1=CC=CC2=C1CCO2 AK-35322 [1,0,0,1,0,0|2,0,0]=4 1257 B10R2.7 C1=CSC2=C1C=CC=C2 AK-44148 [1,0,0,1,0,0|2,0,0]=4 1258 B10R2.7 O1N=C2C=CC=CC2=N1 AK-34472 [1,0,0,1,0,0|2,0,0]=4 1259 B10R2.32 C1=CSC2=C1CCC2=O AK-38055 [0,0,0,1,1,0|2,0,0]=4 1260 B12R2.18 C1=C([N](C2=CC=CC=C12)C)C AK-47660 [0,0,0,1,0,1|2,0,0]=4 1261 B12R2.18 CN1C(I)=CC2=C1C=CC=C2 AK665664 [0,0,0,1,0,1|2,0,0]=4 1262 B12R2.18 O=C1C(CC2=C1C=CC=C2)=O AK-60402 [0,0,0,1,0,1|2,0,0]=4 1263 B12R2.18 O=C1NC2=C(C=CC=C2)C1=O AK-29599 [0,0,0,1,0,1|2,0,0]=4 1264 B12R2.24 C1=CC=CC2=C1NC(=O)CC2 AK-26121 [0,0,0,1,0,1|1,0,0]=3 1265 B12R2.24 C1=CC=CC2=C1NC(=O)CO2 AK-46795 [0,0,0,1,0,1|2,0,0]=4 1266 B12R2.24 O=C1CC2=CC=CC=C2CO1 AK-35166 [0,0,0,1,0,1|0,0,0]=2 1267 B12R2.24 O=C1COC2=CC=CC=C2C1 AK-96048 [0,0,0,1,0,1|2,0,0]=4 1268 B12R2.24 O=C1NC2=C(C=CC=C2)CN1 AK143293 [0,0,0,1,0,1|1,0,0]=3 1269 B12R2.32 CCC1=CC2=C(N1)C=CC=C2 AK-29204 [0,0,0,1,0,1|2,0,0]=4 1270 B12R2.32 CCC1=NC2=CC=CC=C2N1 AK-31912 [0,0,0,1,0,1|2,0,0]=4 1271 B12R2.32 CCC1=NC2=CC=CC=C2O1 AK551044 [0,0,0,1,0,1|1,0,1]=4 1272 B12R2.32 CNC1=NC2=C(N1)C=CC=C2 AK-95284 [0,0,0,1,0,1|2,0,0]=4 1273 B12R2.32 CSC1=NC2=C(S1)C=CC=C2 AK111081 [0,0,0,1,0,1|0,2,0]=4 1274 B12R2.32 CSC1=NC2=CC=CC=C2O1 AK108390 [0,0,0,1,0,1|0,1,1]=4 1275 B12R2.116 OC1(C2=CC=CC=C2)COC1 AK140940 [0,1,0,1,0,0|0,0,2]=4 1276 B12R2.1 C1=C(C2=C(S1)C=CC=C2)C=O AK-27012 [0,1,0,1,0,0|2,0,0]=4 1277 B12R2.1 O=CC1=CNC2=C1C=CC=C2 AK-49824 [0,1,0,1,0,0|2,0,0]=4 1278 B12R2.1 O=CC1=COC2=C1C=CC=C2 AK-35267 [0,1,0,1,0,0|2,0,0]=4 1279 B12R2.1 O=CC1=NNC2=C1C=CC=C2 AK-45326 [0,1,0,1,0,0|2,0,0]=4 1280 B12R2.2 C1(C2=CC=CN=C2)=NCCO1 AK158900 [0,1,0,1,0,0|2,0,0]=4 1281 B12R2.2 O1C=NC=C1C2=CC=CC=C2 AK-40844 [0,1,0,1,0,0|1,0,1]=4 1282 B12R2.1081 C1=CC=CC2=C1C(=O)NC=C2 AK-29295 [0,1,0,1,0,0|1,0,1]=4 1283 B12R2.1081 C1=CC=CC2=C1C(=O)NCC2 AK-25321 [0,1,0,1,0,0|1,0,0]=3 1284 B12R2.1081 N1=CC=CC2=C1C(CCC2)=O AK-29412 [0,1,0,1,0,0|2,0,0]=4 1285 B12R2.1081 O=C1C=COC2=CC=CC=C12 AK-26021 [0,1,0,1,0,0|1,0,1]=4 1286 B12R2.1081 O=C1C=NNC2=C1C=CC=C2 AK-46528 [0,1,0,1,0,0|2,0,0]=4 1287 B12R2.1081 O=C1CCCC2=C1C=CC=C2 AK-43970 [0,1,0,1,0,0|1,0,0]=3 1288 B12R2.1081 O=C1CCCC2=C1C=CC=N2 AK-26084 [0,1,0,1,0,0|2,0,0]=4 1289 B12R2.1081 O=C1CCCC2=C1C=NC=C2 AK149492 [0,1,0,1,0,0|2,0,0]=4 1290 B12R2.1081 O=C1CCNC2=C1C=CC=C2 AK-77367 [0,1,0,1,0,0|1,0,0]=3 1291 B12R2.1081 O=C1CCOC2=C1C=CC=C2 AK-46406 [0,1,0,1,0,0|1,0,0]=3 1292 B12R2.1081 O=C1CCOC2=CC=CN=C21 AK-30399 [0,1,0,1,0,0|2,0,0]=4 1293 B12R2.1081 O=C1NC=NC2=C1C=CC=C2 AK-27831 [0,1,0,1,0,0|1,0,1]=4 1294 B12R2.1081 O=C1NCCC2=C1N=CC=C2 AK119860 [0,1,0,1,0,0|2,0,0]=4 1295 B12R2.1081 O=C1OCCC2=C1C=CC=C2 AK-84484 [0,1,0,1,0,0|0,0,0]=2 1296 B12R2.1081 OC1COCC2=C1C=CC=C2 AK-76197 [0,1,0,1,0,0|0,0,2]=4 1297 B12R2.2028 BrC1CC(=O)C2=C1C=CC=C2 AK-32505 [0,1,0,1,0,0|1,0,0]=3 1298 B12R2.2028 O=C1C2=C(C=CC=C2)C([N-]1)=O AK-98651 [0,1,0,1,0,0|1,0,1]=4 1299 B12R2.2028 O=C1CC(C2=C1C=CC=C2)=O AK307475 [0,1,0,1,0,0|1,0,1]=4 1300 B12R2.2028 O=C1NC(N)C2=C1C=CC=C2 AK158160 [0,1,0,1,0,0|1,0,0]=3 1301 B12R2.2028 O=C1NC(O)C2=NC=CC=C21 AK146257 [0,1,0,1,0,0|2,0,0]=4 1302 B12R2.2028 O=C1NN(C)C2=C1C=CC=C2 AK155423 [0,1,0,1,0,0|1,0,0]=3 1303 B12R2.2028 O=C1OC(=O)C2=C1C=CN=C2 AK-41089 [0,1,0,1,0,0|1,0,1]=4 1304 B12R2.2028 O=C1OC(C2=CC=CN=C12)=O AK-44064 [0,1,0,1,0,0|1,0,1]=4 1305 B12R2.2028 O=C1OC(O)C2=C1C=CC=C2 AK607884 [0,1,0,1,0,0|0,0,0]=2 1306 B12R2.612 BrC1=CC=C2C(=O)NOC2=C1 AK-76119 [0,1,0,1,0,0|2,0,0]=4 1307 B12R2.612 BrC1=CC=C2C(NCC2=C1)=O AK-29385 [0,1,0,1,0,0|1,0,0]=3 1308 B12R2.612 C1=C(C=CC2=C1CCC2=O)Cl AK-31971 [0,1,0,1,0,0|1,0,0]=3 1309 B12R2.612 FC1=CC=C2C(=O)NOC2=C1 AK100150 [0,1,0,1,0,0|2,0,0]=4 1310 B12R2.612 NC1=CC=C2C(NCC2=C1)=O AK-34184 [0,1,0,1,0,0|1,0,0]=3 1311 B12R2.612 O=C1CCC2=C1C=CC(Br)=C2 AK-25818 [0,1,0,1,0,0|1,0,0]=3 1312 B12R2.612 O=C1CCC2=C1C=CC(C)=C2 AK-41812 [0,1,0,1,0,0|1,0,0]=3 1313 B12R2.612 O=C1CCC2=C1C=CC(F)=C2 AK-26274 [0,1,0,1,0,0|1,0,0]=3 1314 B12R2.612 O=C1CCC2=C1C=CC(I)=C2 AK-29326 [0,1,0,1,0,0|1,0,0]=3 1315 B12R2.612 O=C1CCC2=C1C=CC(N)=C2 AK-34777 [0,1,0,1,0,0|1,0,0]=3 1316 B12R2.612 O=C1COC2=CC(Br)=CC=C12 AK-33982 [0,1,0,1,0,0|2,0,0]=4 1317 B12R2.612 O=C1COC2=CC(Cl)=CC=C12 AK-25773 [0,1,0,1,0,0|2,0,0]=4 1318 B12R2.612 O=C1COC2=CC(O)=CC=C12 AK-27229 [0,1,0,1,0,0|2,0,0]=4 1319 B12R2.612 O=C1NNC2=C1C=CC(F)=C2 AK-99888 [0,1,0,1,0,0|2,0,0]=4 1320 B12R2.612 O=C1NOC2=CC(C)=CC=C12 AK-67760 [0,1,0,1,0,0|2,0,0]=4 1321 B12R2.612 O=C1NSC2=CC(F)=CC=C12 AK126238 [0,1,0,1,0,0|2,0,0]=4 1322 B12R2.612 O=C1OCC2=C1C=CC(Br)=C2 AK-35968 [0,1,0,1,0,0|0,0,0]=2 1323 B12R2.612 O=C1OCC2=C1C=CC(Cl)=C2 AK161984 [0,1,0,1,0,0|0,0,0]=2 1324 B12R2.612 OB1OCC2=CC(F)=CC=C12 AK163946 [0,1,0,1,0,0|1,0,1]=4 1325 B12R2.612 OC1=CC2=C(C=C1)C(=O)N=C2 AK-64733 [0,1,0,1,0,0|1,0,1]=4 1326 B12R2.132 BrC1=CC2=C(C=C1)OCC2=O AK-28271 [0,1,0,1,0,0|2,0,0]=4 1327 B12R2.132 C1=CC(=CC2=C1CCC2=O)Br AK-26732 [0,1,0,1,0,0|1,0,0]=3 1328 B12R2.132 C1=CC2=C(C(OC2)=O)C=C1Br AK-33925 [0,1,0,1,0,0|0,0,0]=2 1329 B12R2.132 CC1=C2C=C(Cl)C=CC2=NO1 AK150287 [0,1,0,1,0,0|2,0,0]=4 1330 B12R2.132 ClC1=CC=C2C(=C1)C(CC2)=O AK-29868 [0,1,0,1,0,0|1,0,0]=3 1331 B12R2.132 FC1=CC=C2COC(=O)C2=C1 AK-80844 [0,1,0,1,0,0|0,0,0]=2 1332 B12R2.132 FC1=CC=C2ONC(=O)C2=C1 AK100151 [0,1,0,1,0,0|2,0,0]=4 1333 B12R2.132 IC1=CC=C2COC(=O)C2=C1 AK-35552 [0,1,0,1,0,0|0,0,0]=2 1334 B12R2.132 NC1=CC=C2ONC(=O)C2=C1 AK-80717 [0,1,0,1,0,0|2,0,0]=4 1335 B12R2.132 O=C1CCC2=C1C=C(C)C=C2 AK-34324 [0,1,0,1,0,0|1,0,0]=3 1336 B12R2.132 O=C1CCC2=C1C=C(I)C=C2 AK-28079 [0,1,0,1,0,0|1,0,0]=3 1337 B12R2.132 O=C1CCC2=C1C=C(O)C=C2 AK-35907 [0,1,0,1,0,0|1,0,0]=3 1338 B12R2.132 O=C1CCC2=NC=C(Br)C=C21 AK315376 [0,1,0,1,0,0|2,0,0]=4 1339 B12R2.132 O=C1NCC2=C1C=C(Br)C=C2 AK-41679 [0,1,0,1,0,0|1,0,0]=3 1340 B12R2.132 O=C1NCC2=C1C=C(N)C=C2 AK-43743 [0,1,0,1,0,0|1,0,0]=3 1341 B12R2.132 O=C1NOC2=CC=C(Br)C=C12 AK-59832 [0,1,0,1,0,0|2,0,0]=4 1342 B12R2.132 O=C1OCC2=C1C=C(C)C=C2 AK316681 [0,1,0,1,0,0|0,0,0]=2 1343 B12R2.196 BrC1=C2C(=CC=C1)C(NC2)=O AK-37750 [0,1,0,1,0,0|1,0,0]=3 1344 B12R2.196 BrC1=CC=CC2=C1COC2=O AK-30225 [0,1,0,1,0,0|0,0,0]=2 1345 B12R2.196 CC1=C2CCC(=O)C2=CC=C1 AK-75612 [0,1,0,1,0,0|1,0,0]=3 1346 B12R2.196 ClC1=C2C(=CC=C1)C(CC2)=O AK-28796 [0,1,0,1,0,0|1,0,0]=3 1347 B12R2.196 O=C1CCC2=C1C=CC=C2Br AK-31085 [0,1,0,1,0,0|1,0,0]=3 1348 B12R2.196 O=C1CCC2=C1C=CC=C2F AK-30423 [0,1,0,1,0,0|1,0,0]=3 1349 B12R2.196 O=C1CCC2=C1C=CC=C2N AK-29325 [0,1,0,1,0,0|1,0,0]=3 1350 B12R2.196 O=C1COC2=C(Br)C=CC=C12 AK-49048 [0,1,0,1,0,0|2,0,0]=4 1351 B12R2.196 O=C1OCC2=C1C=CC=C2N AK-41573 [0,1,0,1,0,0|0,0,0]=2 1352 B12R2.196 OC1=C2C(=CC=C1)C(CC2)=O AK-39828 [0,1,0,1,0,0|1,0,0]=3 1353 B12R2.196 OC1=CC=CC2=C1CNC2=O AK-43729 [0,1,0,1,0,0|1,0,0]=3 1354 B12R2.203 CC1=CC=CC2=C1C(=O)CC2 AK-41002 [0,1,0,1,0,0|1,0,0]=3 1355 B12R2.203 FC1=C2C(=O)COC2=CC=C1 AK100224 [0,1,0,1,0,0|2,0,0]=4 1356 B12R2.203 FC1=C2C(=O)NOC2=CC=C1 AK100152 [0,1,0,1,0,0|2,0,0]=4 1357 B12R2.203 FC1=C2C(CCC2=CC=C1)=O AK-30094 [0,1,0,1,0,0|1,0,0]=3 1358 B12R2.203 O=C1CCC2=C1C(Br)=CC=C2 AK-28759 [0,1,0,1,0,0|1,0,0]=3 1359 B12R2.203 O=C1CCC2=C1C(Cl)=CC=C2 AK-29207 [0,1,0,1,0,0|1,0,0]=3 1360 B12R2.203 O=C1CCC2=C1C(N)=CC=C2 AK-30069 [0,1,0,1,0,0|1,0,0]=3 1361 B12R2.203 O=C1CCC2=C1C(O)=CC=C2 AK-36137 [0,1,0,1,0,0|1,0,0]=3 1362 B8R1.7 C1=C(C(=O)O)[NH]C=N1 AK-25282 [1,0,0,0,1,0|2,0,0]=4 1363 B8R1.7 C1=COC=C1C(O)=O AK-32276 [1,0,0,0,1,0|1,0,0]=3 1364 B8R1.7 C1=CSC(=N1)C(C)=O AK-46781 [1,0,0,0,1,0|2,0,0]=4 1365 B8R1.7 C1=NC=C(S1)C(=O)O AK-27761 [1,0,0,0,1,0|2,0,0]=4 1366 B8R1.7 C1=N[NH]C=C1C(O)=O AK-25877 [1,0,0,0,1,0|2,0,0]=4 1367 B8R1.7 CC(=O)C1=CC=CN1 AK-53458 [1,0,0,0,1,0|1,0,0]=3 1368 B8R1.7 CC(=O)C1=CC=NO1 AK-68495 [1,0,0,0,1,0|2,0,0]=4 1369 B8R1.7 CC(=O)C1=CSC=C1 AK-44537 [1,0,0,0,1,0|1,0,0]=3 1370 B8R1.7 O1C=CC(=N1)C(=O)O AK-27692 [1,0,0,0,1,0|2,0,0]=4 1371 B8R1.7 O=C(C1=CC=CN1)O AK-44225 [1,0,0,0,1,0|1,0,0]=3 1372 B8R1.7 O=C(C1=CC=CO1)O AK-72863 [1,0,0,0,1,0|1,0,0]=3 1373 B8R1.7 O=C(C1=CC=CS1)[O-] AK110095 [1,0,0,0,1,0|1,0,1]=4 1374 B8R1.7 O=C(C1=CC=NO1)O AK-25596 [1,0,0,0,1,0|2,0,0]=4 1375 B8R1.7 O=C(C1=CC=NS1)O AK-94814 [1,0,0,0,1,0|2,0,0]=4 1376 B8R1.7 O=C(C1=CN=CO1)O AK-28732 [1,0,0,0,1,0|2,0,0]=4 1377 B8R1.7 O=C(C1=CNC=C1)C AK-45953 [1,0,0,0,1,0|1,0,0]=3 1378 B8R1.7 O=C(C1=CNC=N1)C AK-45163 [1,0,0,0,1,0|2,0,0]=4 1379 B8R1.7 O=C(C1=COC=N1)O AK-29026 [1,0,0,0,1,0|2,0,0]=4 1380 B8R1.7 O=C(C1=CSC=C1)O AK-46373 [1,0,0,0,1,0|1,0,0]=3 1381 B8R1.7 O=C(C1=CSC=N1)O AK-23931 [1,0,0,0,1,0|2,0,0]=4 1382 B8R1.7 O=C(C1=CSN=C1)O AK-84534 [1,0,0,0,1,0|2,0,0]=4 1383 B8R1.7 O=C(C1=NNC=C1)O AK-29904 [1,0,0,0,1,0|2,0,0]=4 1384 B8R1.7 OC(=O)C1=CNC=C1 AK-26450 [1,0,0,0,1,0|1,0,0]=3 1385 B8R1.7 S1C=C(N=C1)C(C)=O AK-39395 [1,0,0,0,1,0|2,0,0]=4 1386 B8R1.7 S1C=CN=C1C(=O)O AK-21895 [1,0,0,0,1,0|2,0,0]=4 1387 B8R1.7 [NH]1C=CN=C1C(=O)O AK-27693 [1,0,0,0,1,0|2,0,0]=4 1388 B8R1.7 [O-]C(=O)C1=CC=CS1 AK111442 [1,0,0,0,1,0|1,0,1]=4 1389 B12R1.27 C1=C(CCC(OC)=O)C=CC=C1 AK-41212 [0,0,0,0,0,2|0,0,0]=2 1390 B12R1.27 NNC(OCC1=CC=CC=C1)=O AK-77420 [0,0,0,0,0,2|2,0,0]=4 1391 B12R1.27 O=C(CCC1=CC=CC=C1)CBr AK-40603 [0,0,0,0,0,2|2,0,0]=4 1392 B12R1.27 O=C(OC)COC1=CC=CC=C1 AK139324 [0,0,0,0,0,2|0,0,0]=2 1393 B12R1.27 O=C(OC)\C=C\C1=CC=CC=C1 AK-93451 [0,0,0,0,0,2|0,0,0]=2 1394 B12R1.27 O=C(OCC1=CC=CC=C1)CBr AK-77490 [0,0,0,0,0,2|2,0,0]=4 1395 B12R1.27 O=C(OCC1=CC=CC=C1)CN AK-41495 [0,0,0,0,0,2|2,0,0]=4 1396 B12R1.27 O=C(OCC1=CC=CC=C1)CN AK-45583 [0,0,0,0,0,2|2,0,0]=4 1397 B12R1.27 O=C(OCC1=CC=CC=C1)CO AK117482 [0,0,0,0,0,2|2,0,0]=4 1398 B12R1.27 ONC(=O)OCC1=CC=CC=C1 AK-25800 [0,0,0,0,0,2|2,0,0]=4