0 B10R1.15 C1=C(C(OC)=O)C=CN=C1 AK-46755 [0,0,0,0,0,0|2,0,2]=4 1 B10R1.15 C1=C(C(OC)=O)N=CC=C1 AK-46574 [0,0,0,0,0,0|2,0,2]=4 2 B10R1.15 C1=CC=NC=C1C(OC)=O AK-47410 [0,0,0,0,0,0|2,0,2]=4 3 B10R1.15 CC(C1=CC=CC=C1)CN AK-67959 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.15 CC[C@@H](C1=NC=CC=C1)N AK544238 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.15 CC[C@H](C1=NC=CC=C1)N AK668420 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 AK-47624 [0,0,0,0,0,0|2,0,0]=2 7 B10R1.15 C[C@@H](NC)C1=CC=CC=C1 AK140531 [0,0,0,0,0,0|2,0,0]=2 8 B10R1.15 ClC(C=C)C1=CC=CC=C1 AK173991 [0,0,0,0,0,0|1,0,2]=3 9 B10R1.15 FC(C1=CC=CC=C1)CBr AK-93540 [0,0,0,0,0,0|2,0,0]=2 10 B10R1.15 NCC(C1=CC=CC=C1)=O AK-26107 [0,0,0,0,0,0|1,0,2]=3 11 B10R1.15 NCC(O)C1=NC=CC=C1 AK157200 [0,0,0,0,0,0|2,0,0]=2 12 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 AK-45230 [0,0,0,0,0,0|1,0,0]=1 13 B10R1.15 NC[C@@H](O)C1=CC=CN=C1 AK-96401 [0,0,0,0,0,0|2,0,0]=2 14 B10R1.15 N[C@H](C1=CC=CC=C1)CO AK-41249 [0,0,0,0,0,0|2,0,0]=2 15 B10R1.15 O=C(C1=NC=CC=C1)CBr AK-44981 [0,0,0,0,0,0|2,0,2]=4 16 B10R1.15 O=C(NC)C1=CC=CC=C1 AK323662 [0,0,0,0,0,0|1,0,2]=3 17 B10R1.15 O=CN(C)C1=CC=CC=C1 AK-48601 [0,0,0,0,0,0|3,0,1]=4 18 B10R1.15 O=S(C1=CC=CC=C1)OC AK109245 [0,0,0,0,0,0|2,0,1]=3 19 B10R1.15 OC(C1=CC=CC=C1)CBr AK-76552 [0,0,0,0,0,0|1,0,0]=1 20 B10R1.15 OC(C1=CC=CC=C1)CO AK117070 [0,0,0,0,0,0|1,0,0]=1 21 B10R1.15 OCC(=O)C1=CC=CC=C1 AK-94786 [0,0,0,0,0,0|1,0,2]=3 22 B10R1.15 OCC(N)C1=CC=CC=C1 AK-47370 [0,0,0,0,0,0|2,0,0]=2 23 B10R1.15 O[C@@H](C1=CC=CC=C1)CO AK-45210 [0,0,0,0,0,0|1,0,0]=1 24 B10R1.15 O[C@H](C1=CC=CC=C1)CO AK-33573 [0,0,0,0,0,0|1,0,0]=1 25 B10R1.15 [C@H](N)(C1=CC=CC=C1)CO AK-41260 [0,0,0,0,0,0|2,0,0]=2 26 B9R1.6 C1=C(C(=O)C)C=CN=C1 AK-65203 [1,0,0,0,0,0|1,0,2]=4 27 B9R1.6 C1=C(C(C)=O)N=CC=C1 AK-53417 [1,0,0,0,0,0|1,0,2]=4 28 B9R1.6 C1=C(C=CC=C1)B(O)O AK-50285 [1,0,0,0,0,0|2,0,0]=3 29 B9R1.6 C1=C(C=CN=C1)B(O)O AK-26762 [1,0,0,0,0,0|3,0,0]=4 30 B9R1.6 C1=NC(=CC=C1)C(C)C AK-46532 [1,0,0,0,0,0|2,0,0]=3 31 B9R1.6 CC(N)C1=CC=CN=C1 AK-35649 [1,0,0,0,0,0|2,0,0]=3 32 B9R1.6 CC(N)C1=CN=CC=N1 AK-31016 [1,0,0,0,0,0|3,0,0]=4 33 B9R1.6 CC(N)C1=NC=CC=N1 AK162973 [1,0,0,0,0,0|3,0,0]=4 34 B9R1.6 CC(O)C1=NC=CC=C1 AK-53453 [1,0,0,0,0,0|1,0,0]=2 35 B9R1.6 CN(C)C1=NC=CC=C1 AK-78706 [1,0,0,0,0,0|3,0,0]=4 36 B9R1.6 C[C@@H](N)C1=CC=CC=C1 AK668263 [1,0,0,0,0,0|1,0,0]=2 37 B9R1.6 C[C@@H](N)C1=CC=CN=C1 AK152012 [1,0,0,0,0,0|2,0,0]=3 38 B9R1.6 C[C@@H](N)C1=NC=CC=C1 AK122419 [1,0,0,0,0,0|2,0,0]=3 39 B9R1.6 C[C@@H](O)C1=CC=CC=C1 AK-79205 [1,0,0,0,0,0|0,0,0]=1 40 B9R1.6 C[C@@H](O)C1=CC=NC=C1 AK-45022 [1,0,0,0,0,0|1,0,0]=2 41 B9R1.6 C[C@@H](O)C1=NC=CC=C1 AK-79201 [1,0,0,0,0,0|1,0,0]=2 42 B9R1.6 C[C@H](N)C1=CC=CN=C1 AK151271 [1,0,0,0,0,0|2,0,0]=3 43 B9R1.6 C[C@H](O)C1=CC=NC=C1 AK-79199 [1,0,0,0,0,0|1,0,0]=2 44 B9R1.6 N1=C(C=CC=C1)[C@@H](C)N AK-37082 [1,0,0,0,0,0|2,0,0]=3 45 B9R1.6 N=C(N)C1=CC=CC=C1 AK-47930 [1,0,0,0,0,0|2,0,1]=4 46 B9R1.6 NC(=N)C1=CC=CC=C1 AK-48017 [1,0,0,0,0,0|2,0,1]=4 47 B9R1.6 NC(C1=CC=CC=C1)=S AK-46849 [1,0,0,0,0,0|1,1,1]=4 48 B9R1.6 N[C@@H](C1=CC=NC=C1)C AK202973 [1,0,0,0,0,0|2,0,0]=3 49 B9R1.6 N[C@H](C1=NC=CC=C1)C AK-37110 [1,0,0,0,0,0|2,0,0]=3 50 B9R1.6 O=C(N)C1=CC=CC=C1 AK-77684 [1,0,0,0,0,0|1,0,2]=4 51 B9R1.6 O=C(O)C1=CN=CC=C1 AK-46486 [1,0,0,0,0,0|2,0,1]=4 52 B9R1.6 O=C(O)C1=NC=CC=C1 AK-50286 [1,0,0,0,0,0|2,0,1]=4 53 B9R1.6 O=S(C1=CC=CC=C1)[O-] AK162411 [1,0,0,0,0,0|2,0,1]=4 54 B9R1.6 OB(C1=CC=CN=C1)O AK-26799 [1,0,0,0,0,0|3,0,0]=4 55 B9R1.6 OB(C1=NC=CC=C1)O AK-26642 [1,0,0,0,0,0|3,0,0]=4 56 B9R1.6 OC(=O)C1=CC=NC=C1 AK-49896 [1,0,0,0,0,0|2,0,1]=4 57 B9R1.8 BrCCC1=CC=CC=C1 AK-54085 [1,0,0,0,0,0|1,0,0]=2 58 B9R1.8 C1=C(C=CC=C1)CON AK-49180 [1,0,0,0,0,0|2,0,0]=3 59 B9R1.8 C1=C(CCN)N=CC=C1 AK-73075 [1,0,0,0,0,0|2,0,0]=3 60 B9R1.8 C1=C(CNN)C=CC=C1 AK-72938 [1,0,0,0,0,0|2,0,0]=3 61 B9R1.8 C1=C(N=CC=C1)COC AK-32294 [1,0,0,0,0,0|2,0,0]=3 62 B9R1.8 C1=CC=NN=C1OCC AK-50551 [1,0,0,0,0,0|3,0,0]=4 63 B9R1.8 CCCC1=CC=NC=C1 AK109267 [1,0,0,0,0,0|1,0,0]=2 64 B9R1.8 CCCC1=NC=CN=C1 AK305719 [1,0,0,0,0,0|2,0,0]=3 65 B9R1.8 CCNC1=CC=CN=C1 AK126739 [1,0,0,0,0,0|2,0,0]=3 66 B9R1.8 CCNC1=NC=CN=C1 AK159718 [1,0,0,0,0,0|3,0,0]=4 67 B9R1.8 CCOC1=NC=CC=C1 AK-88755 [1,0,0,0,0,0|2,0,0]=3 68 B9R1.8 CCOC1=NN=CC=C1 AK-50365 [1,0,0,0,0,0|3,0,0]=4 69 B9R1.8 CNCC1=CC=CN=C1 AK-77094 [1,0,0,0,0,0|2,0,0]=3 70 B9R1.8 CNCC1=CC=NC=C1 AK-36140 [1,0,0,0,0,0|2,0,0]=3 71 B9R1.8 CNCC1=NC=CC=C1 AK-82805 [1,0,0,0,0,0|2,0,0]=3 72 B9R1.8 CNCC1=NC=CC=N1 AK-26868 [1,0,0,0,0,0|3,0,0]=4 73 B9R1.8 CNCC1=NC=CN=C1 AK-32984 [1,0,0,0,0,0|3,0,0]=4 74 B9R1.8 CNNC1=CC=CC=C1 AK119038 [1,0,0,0,0,0|2,0,0]=3 75 B9R1.8 N#CCC1=CC=CN=C1 AK-44402 [1,0,0,0,0,0|2,0,1]=4 76 B9R1.8 NCCC1=CC=CN=C1 AK-45879 [1,0,0,0,0,0|2,0,0]=3 77 B9R1.8 NNCC1=CC=CN=C1 AK-50063 [1,0,0,0,0,0|3,0,0]=4 78 B9R1.8 NOCC1=CC=CC=C1 AK-82317 [1,0,0,0,0,0|2,0,0]=3 79 B9R1.8 OCCC1=CN=CN=C1 AK-32465 [1,0,0,0,0,0|3,0,0]=4 80 B9R1.8 OCCC1=NC=CN=C1 AK-45393 [1,0,0,0,0,0|3,0,0]=4 81 B9R1.8 ONCC1=CC=CC=C1 AK-49662 [1,0,0,0,0,0|2,0,0]=3 82 B9R1.8 ONCC1=CC=CC=C1 AK110567 [1,0,0,0,0,0|2,0,0]=3 83 B11R1.7 CC(C1=CC=CC=C1)(C)CN AK117158 [0,1,0,0,0,0|2,0,0]=3 84 B11R1.7 CC(O)(C1=CC=CC=C1)C#C AK305661 [0,1,0,0,0,0|0,0,2]=3 85 B11R1.7 CCC(C1=CC=CC=C1)(C)C AK-96688 [0,1,0,0,0,0|1,0,0]=2 86 B11R1.7 O=S(C1=CC=CC=C1)(CCl)=O AK116676 [0,1,0,0,0,0|2,0,1]=4 87 B11R1.12 CCB(CC)C1=CC=CN=C1 AK-48581 [0,1,0,0,0,0|3,0,0]=4 88 B11R1.12 COC(C1=CC=CC=C1)CO AK-49663 [0,1,0,0,0,0|1,0,0]=2 89 B11R1.12 COC(C1=NC=NC=C1)OC AK-26885 [0,1,0,0,0,0|3,0,0]=4 90 B11R1.12 OCC(C1=CC=CC=C1)CO AK-39914 [0,1,0,0,0,0|1,0,0]=2 91 B11R1.16 C1=C(C(OCC)=O)N=CC=C1 AK-48935 [0,1,0,0,0,0|1,0,2]=4 92 B11R1.16 C=CC[C@H](C1=CC=CC=C1)N AK172643 [0,1,0,0,0,0|1,0,1]=3 93 B11R1.16 CCCC(C1=CC=CC=C1)=O AK164430 [0,1,0,0,0,0|0,0,2]=3 94 B11R1.16 CCCC(C1=CC=CN=C1)=O AK123326 [0,1,0,0,0,0|1,0,2]=4 95 B11R1.16 CCCC(C1=CC=NC=C1)N AK687508 [0,1,0,0,0,0|2,0,0]=3 96 B11R1.16 ClCCC(O)C1=CC=CC=C1 AK-40050 [0,1,0,0,0,0|0,0,0]=1 97 B11R1.16 N#CCC(C1=CC=CC=C1)=O AK-43072 [0,1,0,0,0,0|0,0,3]=4 98 B11R1.16 N#CCC(O)C1=CC=CC=C1 AK-63411 [0,1,0,0,0,0|0,0,1]=2 99 B11R1.16 N[C@@H](C1=CC=CC=C1)CCO AK-33656 [0,1,0,0,0,0|1,0,0]=2 100 B11R1.16 O=C(OCC)C1=CC=NC=C1 AK-50699 [0,1,0,0,0,0|1,0,2]=4 101 B11R1.16 O=C(OCC)C1=CN=CC=C1 AK-88428 [0,1,0,0,0,0|1,0,2]=4 102 B11R1.16 O=C(OCCl)C1=CC=CC=C1 AK-86220 [0,1,0,0,0,0|1,0,2]=4 103 B11R1.16 OC(C1=CC=CC=C1)CCN AK206233 [0,1,0,0,0,0|0,0,0]=1 104 B11R1.16 OCCC(N)C1=CC=CC=C1 AK-33310 [0,1,0,0,0,0|1,0,0]=2 105 B11R1.16 OCC[C@H](N)C1=CC=CC=C1 AK-36482 [0,1,0,0,0,0|1,0,0]=2 106 B11R1.16 O[C@@H](C1=CC=CC=C1)CCCl AK-25234 [0,1,0,0,0,0|0,0,0]=1 107 B11R1.16 O[C@H](C1=CC=CC=C1)CCCl AK-31989 [0,1,0,0,0,0|0,0,0]=1 108 B11R1.22 BrC1=CC=C(C(N)CO)C=C1 AK607944 [0,1,0,0,0,0|2,0,0]=3 109 B11R1.22 BrC1=CC=C([C@@H](N)CO)C=C1 AK172682 [0,1,0,0,0,0|2,0,0]=3 110 B11R1.22 C1=C(C=CC(=C1)Br)C(OC)=O AK-47340 [0,1,0,0,0,0|1,0,2]=4 111 B11R1.22 C1=C(C=CC(=C1)C)C(CBr)=O AK-73063 [0,1,0,0,0,0|1,0,2]=4 112 B11R1.22 C1=C(C=CC(=C1)Cl)C(CC)=O AK-47430 [0,1,0,0,0,0|0,0,2]=3 113 B11R1.22 C1=C(C=CC(=C1)N)C(OC)=O AK-48394 [0,1,0,0,0,0|1,0,2]=4 114 B11R1.22 CC1=CC=C([C@H](N)CO)C=C1 AK544255 [0,1,0,0,0,0|2,0,0]=3 115 B11R1.22 CCC(C1=CC=C(Br)C=C1)=O AK133038 [0,1,0,0,0,0|0,0,2]=3 116 B11R1.22 CCC(C1=CC=C(Br)C=C1)N AK116183 [0,1,0,0,0,0|1,0,0]=2 117 B11R1.22 CCC(C1=CC=C(F)C=C1)=O AK-77665 [0,1,0,0,0,0|0,0,2]=3 118 B11R1.22 CCC(C1=CC=C(I)C=C1)=O AK149241 [0,1,0,0,0,0|0,0,2]=3 119 B11R1.22 CCC(C1=CC=C(O)C=C1)=O AK-44068 [0,1,0,0,0,0|0,0,2]=3 120 B11R1.22 CC[C@@H](C1=CC=C(Br)C=C1)N AK607954 [0,1,0,0,0,0|1,0,0]=2 121 B11R1.22 CC[C@@H](C1=CC=C(Cl)C=C1)N AK-53923 [0,1,0,0,0,0|1,0,0]=2 122 B11R1.22 CC[C@H](C1=CC=C(Br)C=C1)N AK172711 [0,1,0,0,0,0|1,0,0]=2 123 B11R1.22 CC[C@H](C1=CC=C(C)C=C1)N AK-93290 [0,1,0,0,0,0|1,0,0]=2 124 B11R1.22 CC[C@H](C1=CC=C(Cl)C=C1)N AK133438 [0,1,0,0,0,0|1,0,0]=2 125 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 AK-42930 [0,1,0,0,0,0|1,0,2]=4 126 B11R1.22 COC(=O)C1=CC=C(Cl)C=C1 AK-57163 [0,1,0,0,0,0|1,0,2]=4 127 B11R1.22 C[C@@H](NC)C1=CC=C(Cl)C=C1 AK607981 [0,1,0,0,0,0|2,0,0]=3 128 B11R1.22 C[C@H](NC)C1=CC=C(Br)C=C1 AK172763 [0,1,0,0,0,0|2,0,0]=3 129 B11R1.22 C[C@H](NC)C1=CC=C(Cl)C=C1 AK607980 [0,1,0,0,0,0|2,0,0]=3 130 B11R1.22 ClC1=CC=C(C(CN)=O)C=C1 AK-27718 [0,1,0,0,0,0|1,0,2]=4 131 B11R1.22 ClC1=CC=C([C@@H](N)CO)C=C1 AK486779 [0,1,0,0,0,0|2,0,0]=3 132 B11R1.22 ClC1=CC=C([C@@H](N)CO)C=N1 AK684516 [0,1,0,0,0,0|3,0,0]=4 133 B11R1.22 ClC1=CC=C([C@H](N)CO)C=C1 AK607971 [0,1,0,0,0,0|2,0,0]=3 134 B11R1.22 FC1=CC=C([C@@H](N)CO)C=C1 AK117861 [0,1,0,0,0,0|2,0,0]=3 135 B11R1.22 FC1=CC=C([C@H](N)CO)C=C1 AK117823 [0,1,0,0,0,0|2,0,0]=3 136 B11R1.22 FC1=CC=C([C@H](N)CO)C=C1 AK117858 [0,1,0,0,0,0|2,0,0]=3 137 B11R1.22 IC1=CC=C(C(CBr)=O)C=C1 AK-25760 [0,1,0,0,0,0|1,0,2]=4 138 B11R1.22 NC(C1=CC=C(F)C=C1)CC AK470003 [0,1,0,0,0,0|1,0,0]=2 139 B11R1.22 NC1=CC=C(C(C)CC)C=C1 AK-76838 [0,1,0,0,0,0|1,0,0]=2 140 B11R1.22 NCC(=O)C1=CC=C(C=C1)F AK-32227 [0,1,0,0,0,0|1,0,2]=4 141 B11R1.22 NCC(=O)C1=CC=C(O)C=C1 AK101127 [0,1,0,0,0,0|1,0,2]=4 142 B11R1.22 NCC(C1=CC=C(Br)C=C1)=O AK-42272 [0,1,0,0,0,0|1,0,2]=4 143 B11R1.22 NCC(O)C1=CC=C(O)C=C1 AK163650 [0,1,0,0,0,0|1,0,0]=2 144 B11R1.22 N[C@@H](C1=CC=C(F)C=C1)CC AK-42100 [0,1,0,0,0,0|1,0,0]=2 145 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 AK101499 [0,1,0,0,0,0|2,0,0]=3 146 B11R1.22 N[C@H](C1=CC=C(F)C=C1)CC AK-42091 [0,1,0,0,0,0|1,0,0]=2 147 B11R1.22 O=C(C1=CC=C(Br)C=C1)CCl AK-41703 [0,1,0,0,0,0|1,0,2]=4 148 B11R1.22 O=C(NC)C1=CC=C(Br)C=C1 AK-86242 [0,1,0,0,0,0|1,0,2]=4 149 B11R1.22 O=C(OC)C1=CC=C(C)C=C1 AK110414 [0,1,0,0,0,0|1,0,2]=4 150 B11R1.22 O=C(OC)C1=CC=C(F)C=C1 AK-45398 [0,1,0,0,0,0|1,0,2]=4 151 B11R1.22 O=C(OC)C1=CC=C(I)C=C1 AK-45406 [0,1,0,0,0,0|1,0,2]=4 152 B11R1.22 O=C(OC)C1=CC=C(O)C=C1 AK-54335 [0,1,0,0,0,0|1,0,2]=4 153 B11R1.22 OC1=CC=C(C(C)CN)C=C1 AK-47813 [0,1,0,0,0,0|2,0,0]=3 154 B11R1.22 OC1=CC=C(C=C1)C(=O)CBr AK-34343 [0,1,0,0,0,0|1,0,2]=4 155 B11R1.22 OC1=CC=C([C@@H](N)CO)C=C1 AK544250 [0,1,0,0,0,0|2,0,0]=3 156 B11R1.22 OC1=CC=C([C@H](N)CO)C=C1 AK608028 [0,1,0,0,0,0|2,0,0]=3 157 B11R1.22 OCC(O)C1=CC=C(Br)C=C1 AK110007 [0,1,0,0,0,0|1,0,0]=2 158 B11R1.22 OC[C@@H](N)C1=CC=C(Br)C=C1 AK338220 [0,1,0,0,0,0|2,0,0]=3 159 B11R1.22 OC[C@H](N)C1=CC=C(Br)C=C1 AK202041 [0,1,0,0,0,0|2,0,0]=3 160 B11R1.23 BrC1=CC(C(N)CO)=CC=C1 AK321205 [0,1,0,0,0,0|2,0,0]=3 161 B11R1.23 BrC1=CC([C@@H](N)CO)=CC=C1 AK160001 [0,1,0,0,0,0|2,0,0]=3 162 B11R1.23 BrC1=CC([C@H](N)CO)=CC=C1 AK167556 [0,1,0,0,0,0|2,0,0]=3 163 B11R1.23 C1=C(C=CC=C1C(OC)=O)O AK-47384 [0,1,0,0,0,0|1,0,2]=4 164 B11R1.23 C1=C(C=CC=C1F)C(CBr)=O AK-45729 [0,1,0,0,0,0|1,0,2]=4 165 B11R1.23 CC(NC)C1=CC=CC(Br)=C1 AK608016 [0,1,0,0,0,0|2,0,0]=3 166 B11R1.23 CC1=CC(C(CBr)=O)=CC=C1 AK-43564 [0,1,0,0,0,0|1,0,2]=4 167 B11R1.23 CC1=CC([C@H](N)CO)=CC=C1 AK548236 [0,1,0,0,0,0|2,0,0]=3 168 B11R1.23 CCC(=O)C1=CC=CC(Cl)=C1 AK101591 [0,1,0,0,0,0|0,0,2]=3 169 B11R1.23 CCC(C1=CC=CC(F)=C1)=O AK548314 [0,1,0,0,0,0|0,0,2]=3 170 B11R1.23 CCC(C1=CC=CC(O)=C1)=O AK-45536 [0,1,0,0,0,0|0,0,2]=3 171 B11R1.23 CCC(C1=NC=CC(Cl)=C1)=O AK146218 [0,1,0,0,0,0|1,0,2]=4 172 B11R1.23 CC[C@@H](C1=CC=CC(Br)=C1)N AK687502 [0,1,0,0,0,0|1,0,0]=2 173 B11R1.23 CC[C@@H](C1=CC=CC(F)=C1)N AK134091 [0,1,0,0,0,0|1,0,0]=2 174 B11R1.23 CC[C@H](C1=CC=CC(C)=C1)N AK134022 [0,1,0,0,0,0|1,0,0]=2 175 B11R1.23 CC[C@H](C1=CC=CC(Cl)=C1)N AK153385 [0,1,0,0,0,0|1,0,0]=2 176 B11R1.23 CC[C@H](C1=CC=CC(F)=C1)N AK-42095 [0,1,0,0,0,0|1,0,0]=2 177 B11R1.23 ClC1=CC(C(CBr)=O)=CC=C1 AK-47073 [0,1,0,0,0,0|1,0,2]=4 178 B11R1.23 ClC1=CC([C@@H](N)CO)=CC=C1 AK143424 [0,1,0,0,0,0|2,0,0]=3 179 B11R1.23 ClC1=CC([C@H](N)CO)=CC=C1 AK143359 [0,1,0,0,0,0|2,0,0]=3 180 B11R1.23 ClC1=CC([C@H](N)CO)=CC=C1 AK172770 [0,1,0,0,0,0|2,0,0]=3 181 B11R1.23 FC1=CC([C@@H](N)CO)=CC=C1 AK607953 [0,1,0,0,0,0|2,0,0]=3 182 B11R1.23 FC1=CC([C@H](N)CO)=CC=C1 AK159103 [0,1,0,0,0,0|2,0,0]=3 183 B11R1.23 FC1=CC([C@H](N)CO)=CC=C1 AK548219 [0,1,0,0,0,0|2,0,0]=3 184 B11R1.23 FC1=CC=CC(=C1)C(=O)OC AK-47674 [0,1,0,0,0,0|1,0,2]=4 185 B11R1.23 FC1=CC=CC(C(N)CO)=N1 AK543202 [0,1,0,0,0,0|3,0,0]=4 186 B11R1.23 O=C(NC)C1=CC=CC(N)=C1 AK-34399 [0,1,0,0,0,0|1,0,2]=4 187 B11R1.23 O=C(OC)C1=CC=CC(Br)=C1 AK-73031 [0,1,0,0,0,0|1,0,2]=4 188 B11R1.23 O=C(OC)C1=CC=CC(Cl)=C1 AK117218 [0,1,0,0,0,0|1,0,2]=4 189 B11R1.23 O=C(OC)C1=CC=CC(I)=C1 AK-81947 [0,1,0,0,0,0|1,0,2]=4 190 B11R1.23 O=C(OC)C1=CC=CC(N)=C1 AK-43961 [0,1,0,0,0,0|1,0,2]=4 191 B11R1.23 OC1=CC=CC(C(N)CO)=C1 AK608024 [0,1,0,0,0,0|2,0,0]=3 192 B11R1.23 OC[C@H](O)C1=CC(Cl)=CC=C1 AK-45027 [0,1,0,0,0,0|1,0,0]=2 193 B11R1.23 O[C@@H](CCl)C1=CC(Cl)=CC=C1 AK-79203 [0,1,0,0,0,0|1,0,0]=2 194 B11R1.36 C1=C(C(C(O)=O)Br)C=CC=C1 AK-47433 [0,1,0,0,0,0|2,0,1]=4 195 B11R1.36 C1=C(C(C(O)=O)C)C=CC=C1 AK-50598 [0,1,0,0,0,0|2,0,1]=4 196 B11R1.36 C1=CC=CC=C1C(C(O)=O)O AK-54084 [0,1,0,0,0,0|1,0,1]=3 197 B11R1.36 CC(C(C1=CC=CC=C1)=O)=O AK116651 [0,1,0,0,0,0|0,0,3]=4 198 B11R1.36 CC(C)[C@@H](C1=CC=CC=C1)N AK-42222 [0,1,0,0,0,0|1,0,0]=2 199 B11R1.36 CC(C)[C@H](C1=CC=CC=C1)N AK-41685 [0,1,0,0,0,0|1,0,0]=2 200 B11R1.36 C[C@@H](C1=CC=CC=C1)C(O)=O AK-42526 [0,1,0,0,0,0|2,0,1]=4 201 B11R1.36 C[C@@H](O)[C@H](N)C1=CC=CC=C1 AK608029 [0,1,0,0,0,0|1,0,0]=2 202 B11R1.36 C[C@H](C1=CC=CC=C1)C(O)=O AK-42515 [0,1,0,0,0,0|2,0,1]=4 203 B11R1.36 C[C@H](O)[C@H](N)C1=CC=CC=C1 AK608030 [0,1,0,0,0,0|1,0,0]=2 204 B11R1.36 N[C@H](C(=O)N)C1=CC=CC=C1 AK-35984 [0,1,0,0,0,0|2,0,1]=4 205 B11R1.36 O=C(Cl)[C@H](N)C1=CC=CC=C1 AK-48226 [0,1,0,0,0,0|2,0,1]=4 206 B11R1.36 O=C(N)C(O)C1=CC=CC=C1 AK198609 [0,1,0,0,0,0|1,0,1]=3 207 B11R1.36 O=C(N)[C@H](N)C1=CC=CC=C1 AK-70916 [0,1,0,0,0,0|2,0,1]=4 208 B11R1.36 O=C(O)C(Cl)C1=CC=CC=C1 AK107681 [0,1,0,0,0,0|2,0,1]=4 209 B11R1.36 O=C(O)C(N)C1=CC=CC=C1 AK-46549 [0,1,0,0,0,0|2,0,1]=4 210 B11R1.36 O=C(O)[C@@H](N)C1=CC=CC=C1 AK-48119 [0,1,0,0,0,0|2,0,1]=4 211 B11R1.36 O=C(O)[C@H](N)C1=CC=CC=C1 AK-44130 [0,1,0,0,0,0|2,0,1]=4 212 B11R1.36 O=C(O)[C@H](N)C1=CC=CC=C1 AK105883 [0,1,0,0,0,0|2,0,1]=4 213 B11R1.36 [C@@H](O)(C1=CC=CC=C1)C(=O)O AK-47567 [0,1,0,0,0,0|1,0,1]=3 214 B11R1.36 [C@H](C1=CC=CC=C1)(C(O)=O)O AK-42339 [0,1,0,0,0,0|1,0,1]=3 215 B11R1.222 C1=CC=CC(=C1C(OC)=O)Br AK-72980 [0,1,0,0,0,0|1,0,2]=4 216 B11R1.222 CC(C1=CC=CC=C1C)C#N AK165081 [0,1,0,0,0,0|2,0,1]=4 217 B11R1.222 CCC(C1=CC=CC=C1Cl)=O AK-86142 [0,1,0,0,0,0|0,0,2]=3 218 B11R1.222 CCC(C1=CC=CC=C1F)N AK544261 [0,1,0,0,0,0|1,0,0]=2 219 B11R1.222 CCC(C1=NC=CC=C1C)N AK670798 [0,1,0,0,0,0|2,0,0]=3 220 B11R1.222 CC[C@@H](C1=CC=CC=C1F)N AK134089 [0,1,0,0,0,0|1,0,0]=2 221 B11R1.222 COC(=O)C1=C(N)C=CC=C1 AK-41339 [0,1,0,0,0,0|1,0,2]=4 222 B11R1.222 ClC1=C(C(N)CO)C=CN=C1 AK501386 [0,1,0,0,0,0|3,0,0]=4 223 B11R1.222 ClC1=CC=CC=C1[C@H](N)CO AK548235 [0,1,0,0,0,0|2,0,0]=3 224 B11R1.222 FC1=CC=CC=C1C(CF)=O AK198962 [0,1,0,0,0,0|1,0,2]=4 225 B11R1.222 NC1=CC=CC=C1C(C)CC AK122191 [0,1,0,0,0,0|1,0,0]=2 226 B11R1.222 NCC(=O)C1=C(C=CC=C1)F AK-70904 [0,1,0,0,0,0|1,0,2]=4 227 B11R1.222 N[C@@H](C1=CC=CC=C1C)CC AK-42242 [0,1,0,0,0,0|1,0,0]=2 228 B11R1.222 N[C@H](C1=CC=CC=C1Cl)CC AK-42248 [0,1,0,0,0,0|1,0,0]=2 229 B11R1.222 O=C(NC)C1=CC=CC=C1N AK-26614 [0,1,0,0,0,0|1,0,2]=4 230 B11R1.222 O=C(OC)C1=CC=CC=C1C AK174020 [0,1,0,0,0,0|1,0,2]=4 231 B11R1.222 O=C(OC)C1=CC=CC=C1Cl AK161838 [0,1,0,0,0,0|1,0,2]=4 232 B11R1.222 O=C(OC)C1=CC=CC=C1I AK-76653 [0,1,0,0,0,0|1,0,2]=4 233 B11R1.222 O=C(OC)C1=CC=CC=C1S AK554462 [0,1,0,0,0,0|1,0,2]=4 234 B11R1.222 O[C@@H](C1=CC=CC=C1Cl)CO AK-44949 [0,1,0,0,0,0|1,0,0]=2 235 B11R2.1 C1=CC=CC2=C1C(CC2)=O AK-44115 [0,0,0,1,0,0|0,0,2]=3 236 B11R2.1 C1=CC=CC2=C1C(CO2)=O AK-45365 [0,0,0,1,0,0|1,0,2]=4 237 B11R2.1 CC1=CCC2=CC=CC=C12 AK-79878 [0,0,0,1,0,0|1,0,2]=4 238 B11R2.1 CC1CCC2=NC=CN=C21 AK116760 [0,0,0,1,0,0|3,0,0]=4 239 B11R2.1 NC1=NCC2=C1C=CC=C2 AK166973 [0,0,0,1,0,0|2,0,1]=4 240 B11R2.1 NC1CCC2=C1C=CC=C2 AK-44750 [0,0,0,1,0,0|1,0,0]=2 241 B11R2.1 NC1CCC2=CC=CC=C12 AK-96028 [0,0,0,1,0,0|1,0,0]=2 242 B11R2.1 NC1CCC2=CC=CN=C21 AK-75878 [0,0,0,1,0,0|2,0,0]=3 243 B11R2.1 N[C@@H]1CCC2=C1C=CC=C2 AK-44891 [0,0,0,1,0,0|1,0,0]=2 244 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 AK-89530 [0,0,0,1,0,0|1,0,0]=2 245 B11R2.1 N[C@H]1COC2=CC=CC=C12 AK172653 [0,0,0,1,0,0|2,0,0]=3 246 B11R2.1 O=C1C2=CC=CC=C2SC1 AK-29817 [0,0,0,1,0,0|1,0,2]=4 247 B11R2.1 O=C1CCC2=CC=CN=C21 AK-29125 [0,0,0,1,0,0|1,0,2]=4 248 B11R2.1 O=C1NCC2=C1C=CC=C2 AK-68456 [0,0,0,1,0,0|1,0,2]=4 249 B11R2.1 O=C1OCC2=C1C=CC=C2 AK-78719 [0,0,0,1,0,0|1,0,2]=4 250 B11R2.1 OC1=NNC2=C1C=CC=C2 AK136349 [0,0,0,1,0,0|2,0,1]=4 251 B11R2.1 OC1CCC2=C1C=CC=C2 AK151987 [0,0,0,1,0,0|0,0,0]=1 252 B11R2.1 OC1CCC2=CC=CN=C21 AK-72486 [0,0,0,1,0,0|1,0,0]=2 253 B11R2.4 N[C@H]1[C@H](C2=CC=CC=C2)C1 AK142856 [0,0,0,1,0,0|2,0,0]=3 254 B11R2.40 NC1(C2=CC=CC=C2)CC1 AK-30570 [0,0,0,1,0,0|1,0,0]=2 255 B11R2.40 NC1(C2=CC=CN=C2)CC1 AK-68608 [0,0,0,1,0,0|2,0,0]=3 256 B11R2.239 C1(C2=CC=CC=C2)CNC1 AK-36313 [0,0,0,1,0,0|2,0,0]=3 257 B11R2.239 C1NCC1C2=CC=CN=C2 AK103500 [0,0,0,1,0,0|3,0,0]=4 258 B11R2.988 OCC1C2=CC=CC=C2C1 AK550201 [0,0,0,1,0,0|2,0,0]=3 259 B9R1.11 NC(C1=CC=CS1)CO AK684513 [0,0,0,0,1,0|3,0,0]=4 260 B11R1.40 C=C[C@@H](N)CC1=CC=CC=C1 AK142273 [0,0,0,0,0,1|1,0,2]=4 261 B11R1.40 O=C(NC1=CC=CC=C1)CCl AK-95957 [0,0,0,0,0,1|1,0,2]=4 262 B11R1.40 O=C(OC)CC1=CC=CC=C1 AK163377 [0,0,0,0,0,1|1,0,2]=4 263 B11R1.40 O=C(OC)OC1=CC=CC=C1 AK600729 [0,0,0,0,0,1|1,0,2]=4 264 B11R1.40 O=C(OC1=CC=CC=C1)CBr AK105971 [0,0,0,0,0,1|1,0,2]=4 265 B11R1.40 OCC(N)CC1=CC=CC=C1 AK-33528 [0,0,0,0,0,1|2,0,0]=3 266 B11R1.40 OC[C@@H](N)CC1=CC=CC=C1 AK-46725 [0,0,0,0,0,1|2,0,0]=3 267 B11R1.40 OC[C@H](N)CC1=CC=CC=C1 AK-45609 [0,0,0,0,0,1|2,0,0]=3 268 B8R0.4 CCC\C=C\C=C\C=O AK-88482 [1,0,1,0,0,0|1,0,0]=3 269 B8R1.2 BrCC1=CC=CN=C1 AK-44682 [2,0,0,0,0,0|2,0,0]=4 270 B8R1.2 BrCC1=CC=NC=C1 AK-40271 [2,0,0,0,0,0|2,0,0]=4 271 B8R1.2 BrCC1=NC=CC=C1 AK-78919 [2,0,0,0,0,0|2,0,0]=4 272 B8R1.2 C1=CN=CC=C1OC AK-54547 [2,0,0,0,0,0|2,0,0]=4 273 B8R1.2 C1=NC=C(N=C1)CO AK-45812 [2,0,0,0,0,0|2,0,0]=4 274 B8R1.2 CC[N+]1=CC=CC=C1 AK607939 [2,0,0,0,0,0|1,0,0]=3 275 B8R1.2 CNC1=CC=CN=C1 AK-72893 [2,0,0,0,0,0|2,0,0]=4 276 B8R1.2 COC1=CC=CN=C1 AK-76565 [2,0,0,0,0,0|2,0,0]=4 277 B8R1.2 ICC1=CC=CC=C1 AK-54444 [2,0,0,0,0,0|1,0,0]=3 278 B8R1.2 N#CC1=CC=CC=C1 AK-49389 [2,0,0,0,0,0|1,0,1]=4 279 B8R1.2 NCC1=CC=NC=C1 AK-25866 [2,0,0,0,0,0|2,0,0]=4 280 B8R1.2 NCC1=CC=NC=C1 AK-50006 [2,0,0,0,0,0|2,0,0]=4 281 B8R1.2 NNC1=CC=CC=C1 AK114548 [2,0,0,0,0,0|2,0,0]=4 282 B8R1.2 NOC1=CC=CC=C1 AK-77703 [2,0,0,0,0,0|2,0,0]=4 283 B8R1.2 OCC1=CC=CN=C1 AK-46173 [2,0,0,0,0,0|1,0,0]=3 284 B8R1.2 OCC1=CC=NC=C1 AK-44706 [2,0,0,0,0,0|1,0,0]=3 285 B8R1.2 OCC1=CC=NC=C1 AK175384 [2,0,0,0,0,0|1,0,0]=3 286 B8R1.2 OCC1=CN=CN=C1 AK-32022 [2,0,0,0,0,0|2,0,0]=4 287 B8R1.2 OCC1=NC=CC=C1 AK-53905 [2,0,0,0,0,0|1,0,0]=3 288 B8R1.2 OCC1=NC=CC=N1 AK-25156 [2,0,0,0,0,0|2,0,0]=4 289 B8R1.2 OCC1=NC=NC=C1 AK-31889 [2,0,0,0,0,0|2,0,0]=4 290 B8R1.2 ONC1=CC=CC=C1 AK139965 [2,0,0,0,0,0|1,0,0]=3 291 B10R1.13 C1=C(B(O)O)C=CC(=C1)C AK-39805 [1,1,0,0,0,0|2,0,0]=4 292 B10R1.13 C1=C(C(C)C)C=CC(=C1)Br AK-47451 [1,1,0,0,0,0|1,0,0]=3 293 B10R1.13 C1=C(C=CC(=C1)Br)B(O)O AK-44722 [1,1,0,0,0,0|2,0,0]=4 294 B10R1.13 C1=C(C=CC(=C1)F)B(O)O AK-46490 [1,1,0,0,0,0|2,0,0]=4 295 B10R1.13 C1=C(C=CC(=C1)O)B(O)O AK-44804 [1,1,0,0,0,0|2,0,0]=4 296 B10R1.13 C1=C(N(C)C)C=CC(=C1)Br AK-47628 [1,1,0,0,0,0|2,0,0]=4 297 B10R1.13 C1=CC(=CC=C1C(C)=O)F AK-41690 [1,1,0,0,0,0|0,0,2]=4 298 B10R1.13 C1=CC(=CC=C1C(O)=O)Br AK-50463 [1,1,0,0,0,0|1,0,1]=4 299 B10R1.13 C1=CC(=CC=C1C(O)=O)F AK-73077 [1,1,0,0,0,0|1,0,1]=4 300 B10R1.13 CC(Br)C1=CC=C(F)C=C1 AK-94758 [1,1,0,0,0,0|1,0,0]=3 301 B10R1.13 CC(C1=CC=C(Br)C=C1)=O AK124422 [1,1,0,0,0,0|0,0,2]=4 302 B10R1.13 CC(C1=CC=C(C)C=C1)=O AK-41305 [1,1,0,0,0,0|0,0,2]=4 303 B10R1.13 CC(C1=CC=C(N)C=C1)=O AK110424 [1,1,0,0,0,0|0,0,2]=4 304 B10R1.13 CC(C1=CC=C(O)C=C1)=O AK-86441 [1,1,0,0,0,0|0,0,2]=4 305 B10R1.13 CC(C1=CN=C(N)C=C1)C AK-81363 [1,1,0,0,0,0|2,0,0]=4 306 B10R1.13 CC(N)C1=CC=C(C)N=C1 AK684509 [1,1,0,0,0,0|2,0,0]=4 307 B10R1.13 CC(N)C1=CC=C(I)C=C1 AK-77292 [1,1,0,0,0,0|1,0,0]=3 308 B10R1.13 CC(N)C1=NC=C(C)C=C1 AK158768 [1,1,0,0,0,0|2,0,0]=4 309 B10R1.13 CC(O)C1=CC=C(Br)C=C1 AK117026 [1,1,0,0,0,0|0,0,0]=2 310 B10R1.13 CC(O)C1=CC=C(N)C=C1 AK109742 [1,1,0,0,0,0|0,0,0]=2 311 B10R1.13 CC(O)C1=CN=C(C)C=C1 AK-32149 [1,1,0,0,0,0|1,0,0]=3 312 B10R1.13 CC1=CC=C(S(O)=O)C=C1 AK-46949 [1,1,0,0,0,0|2,0,0]=4 313 B10R1.13 CN(C)C1=CC=C(C=C1)I AK101968 [1,1,0,0,0,0|2,0,0]=4 314 B10R1.13 CN(C)C1=CC=C(Cl)C=C1 AK136579 [1,1,0,0,0,0|2,0,0]=4 315 B10R1.13 CN(C)C1=CC=C(O)C=C1 AK-64702 [1,1,0,0,0,0|2,0,0]=4 316 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 AK-45030 [1,1,0,0,0,0|1,0,0]=3 317 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 AK-89611 [1,1,0,0,0,0|1,0,0]=3 318 B10R1.13 C[C@@H](N)C1=CC=C(I)C=C1 AK-43006 [1,1,0,0,0,0|1,0,0]=3 319 B10R1.13 C[C@@H](N)C1=NC=C(F)C=C1 AK204056 [1,1,0,0,0,0|2,0,0]=4 320 B10R1.13 C[C@@H](O)C1=CC=C(Br)C=C1 AK-79215 [1,1,0,0,0,0|0,0,0]=2 321 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 AK-34471 [1,1,0,0,0,0|1,0,0]=3 322 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 AK548805 [1,1,0,0,0,0|1,0,0]=3 323 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 AK173009 [1,1,0,0,0,0|2,0,0]=4 324 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 AK321169 [1,1,0,0,0,0|2,0,0]=4 325 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 AK668421 [1,1,0,0,0,0|2,0,0]=4 326 B10R1.13 C[C@H](O)C1=CC=C(Br)C=C1 AK-79189 [1,1,0,0,0,0|0,0,0]=2 327 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 AK-79216 [1,1,0,0,0,0|0,0,0]=2 328 B10R1.13 ClC1=CC=C(B(O)O)C=C1 AK-26616 [1,1,0,0,0,0|2,0,0]=4 329 B10R1.13 FC(C1=CC=C(Cl)C=C1)F AK-77798 [1,1,0,0,0,0|2,0,0]=4 330 B10R1.13 IC1=CC=C(B(O)O)C=C1 AK-24763 [1,1,0,0,0,0|2,0,0]=4 331 B10R1.13 NC1=CC=C(B(O)O)C=C1 AK-44817 [1,1,0,0,0,0|2,0,0]=4 332 B10R1.13 NC1=CC=C(C(C)C)N=C1 AK-30855 [1,1,0,0,0,0|2,0,0]=4 333 B10R1.13 N[C@@H](C1=CC=C(Br)C=C1)C AK-35249 [1,1,0,0,0,0|1,0,0]=3 334 B10R1.13 N[C@@H](C1=CC=C(C)C=C1)C AK-45033 [1,1,0,0,0,0|1,0,0]=3 335 B10R1.13 N[C@H](C1=CC=C(F)C=C1)C AK-98664 [1,1,0,0,0,0|1,0,0]=3 336 B10R1.13 O=C(O)C1=CC=C(C)C=C1 AK106262 [1,1,0,0,0,0|1,0,1]=4 337 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 AK-44086 [1,1,0,0,0,0|1,0,1]=4 338 B10R1.13 O=C(O)C1=CC=C(I)C=C1 AK-73094 [1,1,0,0,0,0|1,0,1]=4 339 B10R1.13 O=C(O)C1=CC=C(N)C=C1 AK-41178 [1,1,0,0,0,0|1,0,1]=4 340 B10R1.13 O=C(O)C1=CC=C(O)C=C1 AK106263 [1,1,0,0,0,0|1,0,1]=4 341 B10R1.13 O=S(C1=CC=C(C)C=C1)O AK143296 [1,1,0,0,0,0|2,0,0]=4 342 B10R1.13 OB(C1=CC=C(S)C=C1)O AK-41540 [1,1,0,0,0,0|2,0,0]=4 343 B10R1.13 OC1=CC=C(C(C)=C)C=C1 AK117164 [1,1,0,0,0,0|1,0,1]=4 344 B10R1.13 OC1=CC=C(C(O)C)C=C1 AK-45202 [1,1,0,0,0,0|0,0,0]=2 345 B10R1.13 OC1=CC=C(C=C1)C(F)F AK-76781 [1,1,0,0,0,0|2,0,0]=4 346 B10R1.13 OC1=CC=C(N(C)C)C=C1 AK103764 [1,1,0,0,0,0|2,0,0]=4 347 B10R1.13 OC1=CC=C([C@H](N)C)C=C1 AK608003 [1,1,0,0,0,0|1,0,0]=3 348 B10R1.28 C1=C([S](O)(=O)=O)C=CC=C1 AK-51336 [1,1,0,0,0,0|2,0,0]=4 349 B10R1.28 CC(C)(C)C1=CC=NC=C1 AK-88357 [1,1,0,0,0,0|2,0,0]=4 350 B10R1.28 CC(C)(O)C1=NC=CC=C1 AK111321 [1,1,0,0,0,0|1,0,0]=3 351 B10R1.28 CC(N)(C1=CC=CC=C1)C AK116559 [1,1,0,0,0,0|1,0,0]=3 352 B10R1.28 CC(N)(C1=CC=CN=C1)C AK-86166 [1,1,0,0,0,0|2,0,0]=4 353 B10R1.28 CC(N)(C1=NC=CC=C1)C AK-64527 [1,1,0,0,0,0|2,0,0]=4 354 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 AK-59630 [1,1,0,0,0,0|2,0,0]=4 355 B10R1.61 C1=C(C(=CC=C1)B(O)O)O AK-45876 [1,1,0,0,0,0|2,0,0]=4 356 B10R1.61 C1=CC(=C(C=C1)N(C)C)N AK-65098 [1,1,0,0,0,0|2,0,0]=4 357 B10R1.61 C1=CC=CC(=C1B(O)O)Br AK-34317 [1,1,0,0,0,0|2,0,0]=4 358 B10R1.61 C1=CC=CC(=C1B(O)O)C AK-33581 [1,1,0,0,0,0|2,0,0]=4 359 B10R1.61 C1=CC=CC(=C1C(C)=O)Br AK-48030 [1,1,0,0,0,0|0,0,2]=4 360 B10R1.61 C1=CC=CC(=C1C(C)=O)N AK-27106 [1,1,0,0,0,0|0,0,2]=4 361 B10R1.61 C1=CC=CC(=C1C(O)=O)F AK-40433 [1,1,0,0,0,0|1,0,1]=4 362 B10R1.61 C1=CC=CC(=C1O)C(=O)C AK-44482 [1,1,0,0,0,0|0,0,2]=4 363 B10R1.61 CC(=O)C1=C(I)C=CC=C1 AK-84650 [1,1,0,0,0,0|0,0,2]=4 364 B10R1.61 CC(C1=CC=CC=C1Br)C AK-80369 [1,1,0,0,0,0|1,0,0]=3 365 B10R1.61 CC(C1=CC=CC=C1C)=O AK-76969 [1,1,0,0,0,0|0,0,2]=4 366 B10R1.61 CC(C1=CC=CC=C1F)=O AK-44672 [1,1,0,0,0,0|0,0,2]=4 367 B10R1.61 CC(C1=CC=CC=C1I)C AK113600 [1,1,0,0,0,0|1,0,0]=3 368 B10R1.61 CC(N)C1=CC=CC=C1Br AK548207 [1,1,0,0,0,0|1,0,0]=3 369 B10R1.61 CC(N)C1=CC=CC=C1Cl AK-78769 [1,1,0,0,0,0|1,0,0]=3 370 B10R1.61 CC(N)C1=CC=CC=C1Cl AK133214 [1,1,0,0,0,0|1,0,0]=3 371 B10R1.61 CC(N)C1=CC=CC=C1F AK-78757 [1,1,0,0,0,0|1,0,0]=3 372 B10R1.61 CC(N)C1=NC=CC=C1C AK670791 [1,1,0,0,0,0|2,0,0]=4 373 B10R1.61 CC(O)C1=C(F)C=NC=C1 AK174609 [1,1,0,0,0,0|1,0,0]=3 374 B10R1.61 CC(O)C1=CC=CN=C1Cl AK118779 [1,1,0,0,0,0|1,0,0]=3 375 B10R1.61 CN(C)C1=C(O)C=CC=C1 AK-49738 [1,1,0,0,0,0|2,0,0]=4 376 B10R1.61 CN(C)C1=CC=CC=C1Br AK-86039 [1,1,0,0,0,0|2,0,0]=4 377 B10R1.61 C[C@@H](N)C1=CC=CC=C1Br AK114068 [1,1,0,0,0,0|1,0,0]=3 378 B10R1.61 C[C@@H](N)C1=CC=CC=C1Br AK155333 [1,1,0,0,0,0|1,0,0]=3 379 B10R1.61 C[C@@H](N)C1=CC=CC=C1C AK-45079 [1,1,0,0,0,0|1,0,0]=3 380 B10R1.61 C[C@@H](N)C1=CC=CC=C1Cl AK-42131 [1,1,0,0,0,0|1,0,0]=3 381 B10R1.61 C[C@@H](N)C1=CC=CC=C1F AK-33841 [1,1,0,0,0,0|1,0,0]=3 382 B10R1.61 C[C@@H](O)C1=CC=CC=C1Cl AK-49059 [1,1,0,0,0,0|0,0,0]=2 383 B10R1.61 C[C@H](N)C1=CC=CC=C1Br AK-59163 [1,1,0,0,0,0|1,0,0]=3 384 B10R1.61 C[C@H](N)C1=CC=CC=C1Br AK174547 [1,1,0,0,0,0|1,0,0]=3 385 B10R1.61 C[C@H](N)C1=CC=CC=C1C AK162902 [1,1,0,0,0,0|1,0,0]=3 386 B10R1.61 C[C@H](N)C1=CC=CC=C1F AK-36100 [1,1,0,0,0,0|1,0,0]=3 387 B10R1.61 C[C@H](N)C1=CC=CC=C1F AK162903 [1,1,0,0,0,0|1,0,0]=3 388 B10R1.61 C[C@H](O)C1=CC=CC=C1Cl AK-57726 [1,1,0,0,0,0|0,0,0]=2 389 B10R1.61 C[C@H](O)C1=CC=CC=C1F AK114295 [1,1,0,0,0,0|0,0,0]=2 390 B10R1.61 ClC1=C(C=CC=C1)B(O)O AK-34973 [1,1,0,0,0,0|2,0,0]=4 391 B10R1.61 FC1=CC=CC=C1B(O)O AK-45733 [1,1,0,0,0,0|2,0,0]=4 392 B10R1.61 NC(C1=CC=CC=C1Br)C AK-50562 [1,1,0,0,0,0|1,0,0]=3 393 B10R1.61 NC1=C(C(C)C)C=NC=C1 AK349169 [1,1,0,0,0,0|2,0,0]=4 394 B10R1.61 NC1=CC=CC=C1B(O)O AK-77788 [1,1,0,0,0,0|2,0,0]=4 395 B10R1.61 N[C@@H](C1=CC=CC=C1F)C AK-42098 [1,1,0,0,0,0|1,0,0]=3 396 B10R1.61 O=C(O)C1=CC=CC=C1Br AK-77301 [1,1,0,0,0,0|1,0,1]=4 397 B10R1.61 O=C(O)C1=CC=CC=C1C AK116916 [1,1,0,0,0,0|1,0,1]=4 398 B10R1.61 O=C(O)C1=CC=CC=C1Cl AK-44481 [1,1,0,0,0,0|1,0,1]=4 399 B10R1.61 O=C(O)C1=CC=CC=C1I AK-73132 [1,1,0,0,0,0|1,0,1]=4 400 B10R1.61 OB(C1=CC=CC=C1N)O AK-35638 [1,1,0,0,0,0|2,0,0]=4 401 B10R1.61 OC1=CC=CC=C1C(O)=O AK397674 [1,1,0,0,0,0|1,0,1]=4 402 B10R1.113 BrC1=CC(=CC=C1)C(F)F AK-50673 [1,1,0,0,0,0|2,0,0]=4 403 B10R1.113 C1=C(C(C)=O)C=C(C=C1)O AK-46681 [1,1,0,0,0,0|0,0,2]=4 404 B10R1.113 C1=C(C=CC=C1Br)B(O)O AK-23693 [1,1,0,0,0,0|2,0,0]=4 405 B10R1.113 C1=C(C=CC=C1Cl)C(O)=O AK-43975 [1,1,0,0,0,0|1,0,1]=4 406 B10R1.113 C1=C(C=CC=C1F)C(O)=O AK-53854 [1,1,0,0,0,0|1,0,1]=4 407 B10R1.113 CC(C1=CC(Br)=CC=C1)C AK-61854 [1,1,0,0,0,0|1,0,0]=3 408 B10R1.113 CC(C1=CC=CC(Br)=C1)=O AK-44590 [1,1,0,0,0,0|0,0,2]=4 409 B10R1.113 CC(C1=CC=CC(C)=C1)=O AK143347 [1,1,0,0,0,0|0,0,2]=4 410 B10R1.113 CC(N)C1=CC=CC(C)=C1 AK-95787 [1,1,0,0,0,0|1,0,0]=3 411 B10R1.113 CC(O)C1=CC(N)=NC=C1 AK109512 [1,1,0,0,0,0|1,0,0]=3 412 B10R1.113 CC(O)C1=NC(Br)=CC=C1 AK-58995 [1,1,0,0,0,0|1,0,0]=3 413 B10R1.113 CC1=CC(B(O)O)=CC=C1 AK-41078 [1,1,0,0,0,0|2,0,0]=4 414 B10R1.113 CN(C)C1=CC=CC(Br)=C1 AK-63444 [1,1,0,0,0,0|2,0,0]=4 415 B10R1.113 C[C@@H](C1=CC=CC(N)=C1)N AK326677 [1,1,0,0,0,0|1,0,0]=3 416 B10R1.113 C[C@@H](N)C1=CC(Br)=NC=C1 AK608012 [1,1,0,0,0,0|2,0,0]=4 417 B10R1.113 C[C@@H](N)C1=CC(Cl)=CN=C1 AK668419 [1,1,0,0,0,0|2,0,0]=4 418 B10R1.113 C[C@@H](N)C1=CC=CC(Br)=C1 AK-33750 [1,1,0,0,0,0|1,0,0]=3 419 B10R1.113 C[C@@H](N)C1=CC=CC(Br)=C1 AK338979 [1,1,0,0,0,0|1,0,0]=3 420 B10R1.113 C[C@@H](N)C1=CC=CC(C)=C1 AK-45077 [1,1,0,0,0,0|1,0,0]=3 421 B10R1.113 C[C@@H](N)C1=CC=CC(C)=C1 AK133442 [1,1,0,0,0,0|1,0,0]=3 422 B10R1.113 C[C@@H](N)C1=CC=CC(F)=C1 AK-29516 [1,1,0,0,0,0|1,0,0]=3 423 B10R1.113 C[C@@H](N)C1=NC(F)=CC=C1 AK668445 [1,1,0,0,0,0|2,0,0]=4 424 B10R1.113 C[C@@H](O)C1=CC=CC(Cl)=C1 AK103057 [1,1,0,0,0,0|0,0,0]=2 425 B10R1.113 C[C@H](N)C1=CC(F)=CN=C1 AK335908 [1,1,0,0,0,0|2,0,0]=4 426 B10R1.113 C[C@H](N)C1=CC=CC(Br)=C1 AK-33217 [1,1,0,0,0,0|1,0,0]=3 427 B10R1.113 C[C@H](N)C1=CC=CC(Br)=C1 AK338984 [1,1,0,0,0,0|1,0,0]=3 428 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 AK-35182 [1,1,0,0,0,0|1,0,0]=3 429 B10R1.113 C[C@H](O)C1=CC=CC(Br)=C1 AK-58281 [1,1,0,0,0,0|0,0,0]=2 430 B10R1.113 ClC1=CC=CC(=C1)B(O)O AK-47360 [1,1,0,0,0,0|2,0,0]=4 431 B10R1.113 FC1=CC(B(O)O)=CC=C1 AK-45904 [1,1,0,0,0,0|2,0,0]=4 432 B10R1.113 IC1=CC=CC(=C1)B(O)O AK-45910 [1,1,0,0,0,0|2,0,0]=4 433 B10R1.113 NC1=CC(C(C)=O)=CC=C1 AK-83273 [1,1,0,0,0,0|0,0,2]=4 434 B10R1.113 NC1=CC(N(C)C)=CC=C1 AK162007 [1,1,0,0,0,0|2,0,0]=4 435 B10R1.113 NC1=NC(C(C)C)=CC=C1 AK-29534 [1,1,0,0,0,0|2,0,0]=4 436 B10R1.113 N[C@@H](C1=CC=CC(F)=C1)C AK-45028 [1,1,0,0,0,0|1,0,0]=3 437 B10R1.113 N[C@H](C1=CC=CC(F)=C1)C AK-42995 [1,1,0,0,0,0|1,0,0]=3 438 B10R1.113 O=C(O)C1=CC=CC(Br)=C1 AK-77039 [1,1,0,0,0,0|1,0,1]=4 439 B10R1.113 O=C(O)C1=CC=CC(C)=C1 AK116994 [1,1,0,0,0,0|1,0,1]=4 440 B10R1.113 O=C(O)C1=CC=CC(I)=C1 AK-40488 [1,1,0,0,0,0|1,0,1]=4 441 B10R1.113 O=C(O)C1=CC=CC(N)=C1 AK-41177 [1,1,0,0,0,0|1,0,1]=4 442 B10R1.113 O=C(O)C1=CC=CC(O)=C1 AK-50288 [1,1,0,0,0,0|1,0,1]=4 443 B10R1.113 OB(C1=CC=CC(N)=C1)O AK-27034 [1,1,0,0,0,0|2,0,0]=4 444 B10R1.113 OB(C1=CC=CC(N)=C1)O AK-43360 [1,1,0,0,0,0|2,0,0]=4 445 B10R1.113 OB(C1=CC=CC(N)=C1)O AK-44816 [1,1,0,0,0,0|2,0,0]=4 446 B10R1.113 OB(C1=CC=CC(O)=C1)O AK-44803 [1,1,0,0,0,0|2,0,0]=4 447 B10R1.113 OC1=CC=CC(N(C)C)=C1 AK-51741 [1,1,0,0,0,0|2,0,0]=4 448 B10R1.113 OC1=CC=CC([C@H](N)C)=C1 AK-77840 [1,1,0,0,0,0|1,0,0]=3 449 B10R1.1 BrC1=CC=C(C=C1)CC=O AK-25692 [1,1,0,0,0,0|1,0,1]=4 450 B10R1.1 C1=C(C=CC(=C1)Br)CCO AK-35260 [1,1,0,0,0,0|1,0,0]=3 451 B10R1.1 C1=C(C=CC(=C1)Br)CNC AK-16714 [1,1,0,0,0,0|1,0,0]=3 452 B10R1.1 C1=C(C=CC(=C1)Br)OCC AK-47317 [1,1,0,0,0,0|1,0,0]=3 453 B10R1.1 C1=C(C=CC(=C1)F)CC#N AK-46633 [1,1,0,0,0,0|1,0,1]=4 454 B10R1.1 C1=C(C=CC(=C1)O)CCN AK-47332 [1,1,0,0,0,0|1,0,0]=3 455 B10R1.1 C1=C(N=CC(=C1)Br)OCC AK-32436 [1,1,0,0,0,0|2,0,0]=4 456 B10R1.1 C1=CC(=CC=C1CC#N)C AK-46578 [1,1,0,0,0,0|1,0,1]=4 457 B10R1.1 C1=CC(=CC=C1CCO)I AK-40186 [1,1,0,0,0,0|1,0,0]=3 458 B10R1.1 C1=CC(=CC=C1CCO)O AK-35340 [1,1,0,0,0,0|1,0,0]=3 459 B10R1.1 C1=CC(=CC=C1CNC)Cl AK-16704 [1,1,0,0,0,0|1,0,0]=3 460 B10R1.1 CC1=CC=C(CCN)C=C1 AK-49684 [1,1,0,0,0,0|1,0,0]=3 461 B10R1.1 CCCC1=CC=C(Br)C=C1 AK-49955 [1,1,0,0,0,0|0,0,0]=2 462 B10R1.1 CCOC1=CC=C(I)C=C1 AK-46446 [1,1,0,0,0,0|1,0,0]=3 463 B10R1.1 CCOC1=CN=C(Br)C=C1 AK143369 [1,1,0,0,0,0|2,0,0]=4 464 B10R1.1 CCOC1=CN=C(Cl)C=C1 AK-88024 [1,1,0,0,0,0|2,0,0]=4 465 B10R1.1 CNCC1=CC=C(N)C=C1 AK-78884 [1,1,0,0,0,0|1,0,0]=3 466 B10R1.1 ClC1=CC=C(CCBr)C=C1 AK-35996 [1,1,0,0,0,0|1,0,0]=3 467 B10R1.1 ClC1=CC=C(CCN)C=C1 AK-72548 [1,1,0,0,0,0|1,0,0]=3 468 B10R1.1 ClC1=CC=C(CCO)C=C1 AK-86505 [1,1,0,0,0,0|1,0,0]=3 469 B10R1.1 FC1=CC=C(C=C1)CCBr AK-42361 [1,1,0,0,0,0|1,0,0]=3 470 B10R1.1 FC1=CC=C(C=C1)NCC AK113245 [1,1,0,0,0,0|1,0,0]=3 471 B10R1.1 FC1=CC=C(CCO)C=C1 AK-51236 [1,1,0,0,0,0|1,0,0]=3 472 B10R1.1 IC1=CN=C(OCC)C=C1 AK144123 [1,1,0,0,0,0|2,0,0]=4 473 B10R1.1 N#CCC1=CC=C(I)C=C1 AK121967 [1,1,0,0,0,0|1,0,1]=4 474 B10R1.1 N#CCC1=CC=C(O)C=C1 AK-33252 [1,1,0,0,0,0|1,0,1]=4 475 B10R1.1 NC1=CC=C(CC#N)C=C1 AK100092 [1,1,0,0,0,0|1,0,1]=4 476 B10R1.1 NC1=CC=C(CCO)C=C1 AK-47701 [1,1,0,0,0,0|1,0,0]=3 477 B10R1.1 NC1=CC=C(COC)C=C1 AK-78891 [1,1,0,0,0,0|1,0,0]=3 478 B10R1.1 NC1=NC=C(OCC)C=C1 AK-54494 [1,1,0,0,0,0|2,0,0]=4 479 B10R1.1 NCCC1=CC=C(Br)C=C1 AK-50627 [1,1,0,0,0,0|1,0,0]=3 480 B10R1.1 NCCC1=CC=C(N)C=C1 AK-45820 [1,1,0,0,0,0|1,0,0]=3 481 B10R1.1 NNCC1=CC=C(Cl)C=C1 AK132927 [1,1,0,0,0,0|2,0,0]=4 482 B10R1.1 NNCC1=CC=C(F)C=C1 AK128817 [1,1,0,0,0,0|2,0,0]=4 483 B10R1.1 NOCC1=CC=C(F)C=C1 AK-86671 [1,1,0,0,0,0|2,0,0]=4 484 B10R1.1 OC1=CC=C(CCBr)C=C1 AK-59257 [1,1,0,0,0,0|1,0,0]=3 485 B10R1.1 OC1=CC=C(CCC)C=C1 AK164480 [1,1,0,0,0,0|0,0,0]=2 486 B10R1.1 OC1=CC=C(COC)C=C1 AK-42631 [1,1,0,0,0,0|1,0,0]=3 487 B10R1.1 OC1=CC=C(OCC)C=C1 AK163223 [1,1,0,0,0,0|1,0,0]=3 488 B10R1.1 OCCC1=CC=C(C)N=C1 AK-28132 [1,1,0,0,0,0|2,0,0]=4 489 B10R1.4 BrC1=CC=CC=C1CCO AK-70908 [1,1,0,0,0,0|1,0,0]=3 490 B10R1.4 C1=C(C(=CC=C1)CC#N)Br AK-45669 [1,1,0,0,0,0|1,0,1]=4 491 B10R1.4 CC1=CC=CC=C1CCO AK117334 [1,1,0,0,0,0|1,0,0]=3 492 B10R1.4 CC1=CC=CC=C1CNC AK-89673 [1,1,0,0,0,0|1,0,0]=3 493 B10R1.4 CCOC1=C(N)C=CN=C1 AK100670 [1,1,0,0,0,0|2,0,0]=4 494 B10R1.4 CCOC1=NC=CC=C1Br AK-45982 [1,1,0,0,0,0|2,0,0]=4 495 B10R1.4 CNCC1=CC=CC=C1Br AK-16712 [1,1,0,0,0,0|1,0,0]=3 496 B10R1.4 CNCC1=CC=CC=C1F AK-16716 [1,1,0,0,0,0|1,0,0]=3 497 B10R1.4 ClC1=CC=CC=C1CCO AK-45697 [1,1,0,0,0,0|1,0,0]=3 498 B10R1.4 FC1=CC=CC=C1CCN AK-98141 [1,1,0,0,0,0|1,0,0]=3 499 B10R1.4 N#CCC1=CC=CC=C1F AK-48152 [1,1,0,0,0,0|1,0,1]=4 500 B10R1.4 N#CCC1=CC=CC=C1N AK-88479 [1,1,0,0,0,0|1,0,1]=4 501 B10R1.4 NC1=C(OCC)C=CN=C1 AK-59659 [1,1,0,0,0,0|2,0,0]=4 502 B10R1.4 NC1=CC=CC=C1CCN AK-88349 [1,1,0,0,0,0|1,0,0]=3 503 B10R1.4 NCCC1=C(Cl)C=CC=C1 AK-57465 [1,1,0,0,0,0|1,0,0]=3 504 B10R1.4 NCCC1=CC=CC=C1Br AK-47292 [1,1,0,0,0,0|1,0,0]=3 505 B10R1.4 NNCC1=CC=CC=C1F AK-35444 [1,1,0,0,0,0|2,0,0]=4 506 B10R1.4 NOCC1=CC=CC=C1F AK-69176 [1,1,0,0,0,0|2,0,0]=4 507 B10R1.4 O=C1C(OCC)=CC=CN1 AK130647 [1,1,0,0,0,0|2,0,0]=4 508 B10R1.4 OC1=CC=CC=C1CCN AK114741 [1,1,0,0,0,0|1,0,0]=3 509 B10R1.4 OC1=CC=CC=C1COC AK151421 [1,1,0,0,0,0|1,0,0]=3 510 B10R1.4 OC1=CC=CC=C1OCC AK-94233 [1,1,0,0,0,0|1,0,0]=3 511 B10R1.4 OCCC1=CC=CC=C1I AK149280 [1,1,0,0,0,0|1,0,0]=3 512 B10R1.4 OCCC1=CC=CC=C1N AK-35531 [1,1,0,0,0,0|1,0,0]=3 513 B10R1.10 BrC1=CC(CCO)=CC=C1 AK-40057 [1,1,0,0,0,0|1,0,0]=3 514 B10R1.10 BrCCC1=CC(Br)=CC=C1 AK142066 [1,1,0,0,0,0|1,0,0]=3 515 B10R1.10 C1=C(C=CC=C1Cl)CCO AK-46667 [1,1,0,0,0,0|1,0,0]=3 516 B10R1.10 C1=C(C=CC=C1F)CNC AK-16717 [1,1,0,0,0,0|1,0,0]=3 517 B10R1.10 CC1=CC(CCCl)=CC=C1 AK162876 [1,1,0,0,0,0|1,0,0]=3 518 B10R1.10 CC1=CC(CNC)=CC=C1 AK-89676 [1,1,0,0,0,0|1,0,0]=3 519 B10R1.10 CC1=CC=CC(CCO)=C1 AK-87226 [1,1,0,0,0,0|1,0,0]=3 520 B10R1.10 CCOC1=CC(Br)=NC=C1 AK146932 [1,1,0,0,0,0|2,0,0]=4 521 B10R1.10 CCOC1=CC(Cl)=NC=C1 AK114104 [1,1,0,0,0,0|2,0,0]=4 522 B10R1.10 CCOC1=CC(F)=CC=C1 AK-61826 [1,1,0,0,0,0|1,0,0]=3 523 B10R1.10 CCOC1=CC=CC(Br)=C1 AK-44617 [1,1,0,0,0,0|1,0,0]=3 524 B10R1.10 CCOC1=CN=CC(N)=C1 AK100109 [1,1,0,0,0,0|2,0,0]=4 525 B10R1.10 CCOC1=NC=CC(Br)=C1 AK129551 [1,1,0,0,0,0|2,0,0]=4 526 B10R1.10 CNCC1=CC(=CN=C1)Br AK-50635 [1,1,0,0,0,0|2,0,0]=4 527 B10R1.10 CNCC1=CC(Cl)=CC=C1 AK-76864 [1,1,0,0,0,0|1,0,0]=3 528 B10R1.10 CNCC1=CC=CC(Br)=C1 AK-16713 [1,1,0,0,0,0|1,0,0]=3 529 B10R1.10 FC1=NC=CC(OCC)=C1 AK-64190 [1,1,0,0,0,0|2,0,0]=4 530 B10R1.10 N#CCC1=CC=CC(F)=C1 AK-27132 [1,1,0,0,0,0|1,0,1]=4 531 B10R1.10 N#CCC1=CC=CC(N)=C1 AK-76735 [1,1,0,0,0,0|1,0,1]=4 532 B10R1.10 NC1=CC(=NC=C1)NCC AK-47602 [1,1,0,0,0,0|2,0,0]=4 533 B10R1.10 NC1=CC=CC(CNC)=C1 AK-93009 [1,1,0,0,0,0|1,0,0]=3 534 B10R1.10 NCCC1=CC=CC(Br)=C1 AK-44011 [1,1,0,0,0,0|1,0,0]=3 535 B10R1.10 NCCC1=CC=CC(Cl)=C1 AK-57464 [1,1,0,0,0,0|1,0,0]=3 536 B10R1.10 NCCC1=CC=CC(F)=C1 AK-41691 [1,1,0,0,0,0|1,0,0]=3 537 B10R1.10 NNCC1=CC=CC(Cl)=C1 AK163398 [1,1,0,0,0,0|2,0,0]=4 538 B10R1.10 OC1=CC=CC(CCN)=C1 AK-41280 [1,1,0,0,0,0|1,0,0]=3 539 B10R1.10 OCCC1=CC(F)=CC=C1 AK111050 [1,1,0,0,0,0|1,0,0]=3 540 B10R1.10 OCCC1=NC(Br)=CC=C1 AK-57002 [1,1,0,0,0,0|2,0,0]=4 541 B10R1.17 BrCCOC1=CC=CC=C1 AK-88423 [1,1,0,0,0,0|1,0,0]=3 542 B10R1.17 C=CCOC1=CC=CC=C1 AK116728 [1,1,0,0,0,0|0,0,2]=4 543 B10R1.17 CCCC[N+]1=CC=CC=C1 AK107641 [1,1,0,0,0,0|1,0,0]=3 544 B10R1.17 CCCC[N+]1=CC=CC=C1 AK676172 [1,1,0,0,0,0|1,0,0]=3 545 B10R1.17 CCCOC1=CC=CC=C1 AK544046 [1,1,0,0,0,0|0,0,0]=2 546 B10R1.17 CCNCC1=CC=NC=C1 AK-48167 [1,1,0,0,0,0|1,0,0]=3 547 B10R1.17 CCNCC1=NC=CC=C1 AK-82541 [1,1,0,0,0,0|1,0,0]=3 548 B10R1.17 CNCCC1=CC=CN=C1 AK-33941 [1,1,0,0,0,0|1,0,0]=3 549 B10R1.17 CNCCC1=NC=CC=C1 AK163686 [1,1,0,0,0,0|1,0,0]=3 550 B10R1.17 ClCCOC1=CC=CC=C1 AK113619 [1,1,0,0,0,0|1,0,0]=3 551 B10R1.17 N#CCNC1=CC=CC=C1 AK109260 [1,1,0,0,0,0|1,0,1]=4 552 B10R1.17 NCCCC1=CC=NC=C1 AK-81582 [1,1,0,0,0,0|1,0,0]=3 553 B10R1.17 NCCOC1=CC=CN=C1 AK108382 [1,1,0,0,0,0|2,0,0]=4 554 B10R1.17 NCCOC1=CC=NC=C1 AK158871 [1,1,0,0,0,0|2,0,0]=4 555 B10R1.17 NCCOC1=NC=CC=C1 AK-86743 [1,1,0,0,0,0|2,0,0]=4 556 B10R1.17 NOCCC1=CC=CC=C1 AK-58452 [1,1,0,0,0,0|1,0,0]=3 557 B10R1.17 O=CCCC1=CC=CC=C1 AK-41238 [1,1,0,0,0,0|0,0,1]=3 558 B10R1.17 O=CCOC1=CC=CC=C1 AK-92294 [1,1,0,0,0,0|1,0,1]=4 559 B10R1.17 O=COCC1=CC=CC=C1 AK113965 [1,1,0,0,0,0|1,0,1]=4 560 B10R1.17 OCC#CC1=CC=CC=C1 AK106192 [1,1,0,0,0,0|0,0,2]=4 561 B10R1.17 OCCCC1=CC=CC=C1 AK114527 [1,1,0,0,0,0|0,0,0]=2 562 B10R1.17 OCCCC1=CC=NC=C1 AK-73053 [1,1,0,0,0,0|1,0,0]=3 563 B10R1.17 OCCCC1=NC=CC=C1 AK-82450 [1,1,0,0,0,0|1,0,0]=3 564 B10R1.17 OCCSC1=NC=CC=C1 AK387693 [1,1,0,0,0,0|2,0,0]=4 565 B10R1.17 [NH]CCOC1=CC=CC=C1 AK-46660 [1,1,0,0,0,0|1,0,0]=3 566 B10R1.18 C1=C(C=CN=C1)CC(C)=O AK-47657 [1,1,0,0,0,0|1,0,1]=4 567 B10R1.18 CC(C)OC1=CC=CC=C1 AK110874 [1,1,0,0,0,0|1,0,0]=3 568 B10R1.18 CC(CC1=NC=CC=C1)=O AK-32596 [1,1,0,0,0,0|1,0,1]=4 569 B10R1.18 CC(OC1=CC=CN=C1)C AK167273 [1,1,0,0,0,0|2,0,0]=4 570 B10R1.18 CC(OC1=NC=CC=C1)C AK-47912 [1,1,0,0,0,0|2,0,0]=4 571 B10R1.18 C\C(C)=C/C1=CC=CC=C1 AK113914 [1,1,0,0,0,0|0,0,2]=4 572 B10R1.18 FC(F)OC1=CC=CC=C1 AK161726 [1,1,0,0,0,0|2,0,0]=4 573 B10R1.18 N=C(N)CC1=CC=CC=C1 AK-77604 [1,1,0,0,0,0|1,0,1]=4 574 B10R1.18 O=C(N)CC1=CC=CC=C1 AK-45803 [1,1,0,0,0,0|1,0,1]=4 575 B10R1.14 CC[C@H](C1=CC=C(C)O1)N AK172686 [0,1,0,0,1,0|2,0,0]=4 576 B12R1.32 CCCC(CC1=CC=CC=C1)=O AK113874 [0,1,0,0,0,1|0,0,2]=4 577 B12R1.32 O=C(OCC)CC1=CC=CC=C1 AK116248 [0,1,0,0,0,1|0,0,2]=4 578 B12R1.43 CC(CC1=CC=CC=C1)C(C)=O AK-89817 [0,1,0,0,0,1|1,0,1]=4 579 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 AK-45543 [0,1,0,0,0,1|1,0,1]=4 580 B12R1.43 [C@@H](O)(CC1=CC=CC=C1)C(=O)O AK-44083 [0,1,0,0,0,1|1,0,1]=4 581 B12R1.49 OC1=CC=C(C[C@H](N)CO)C=C1 AK109460 [0,1,0,0,0,1|2,0,0]=4 582 B12R1.50 OCC(N)CC1=CC=CC(Cl)=C1 AK158851 [0,1,0,0,0,1|2,0,0]=4 583 B12R1.50 OC[C@@H](N)CC1=CC=CC(Cl)=C1 AK191230 [0,1,0,0,0,1|2,0,0]=4 584 B12R1.118 OCC(CC1=CC=CC=C1)CN AK146967 [0,1,0,0,0,1|1,0,0]=3 585 B12R1.118 OC[C@@H](NC)CC1=CC=CC=C1 AK-93560 [0,1,0,0,0,1|1,0,0]=3 586 B12R1.371 OCC(N)CC1=CC=CC=C1Cl AK158852 [0,1,0,0,0,1|2,0,0]=4 587 B12R1.9 NC1=CC=C(C=C1)C(CO)(C)C AK-30925 [0,2,0,0,0,0|2,0,0]=4 588 B12R1.10 CC(C)(C1=CC=CC(Br)=C1)CO AK158872 [0,2,0,0,0,0|2,0,0]=4 589 B12R1.10 C[N+](C)(CC)C1=CC=CC(O)=C1 AK-95497 [0,2,0,0,0,0|2,0,0]=4 590 B12R1.39 CC(C1=CC=CC=C1)(C)CC=O AK141497 [0,2,0,0,0,0|1,0,1]=4 591 B12R1.39 O=S(C1=CC=CC=C1)(OCC)=O AK129066 [0,2,0,0,0,0|1,0,1]=4 592 B12R1.475 C1(=CC=CC=C1)C(CC)(CC)N AK-21988 [0,2,0,0,0,0|1,0,0]=3 593 B12R1.475 C[Si](OC)(OC)C1=CC=CC=C1 AK122120 [0,2,0,0,0,0|1,1,0]=4 594 B12R1.475 O=P(C1=CC=CC=C1)(OC)OC AK112224 [0,2,0,0,0,0|2,0,0]=4 595 B12R1.3 CCN(CCO)C1=CC=CC=C1 AK-86826 [0,2,0,0,0,0|1,0,0]=3 596 B12R1.12 CCN(CC)C1=CC=C(N)C=C1 AK-48404 [0,2,0,0,0,0|2,0,0]=4 597 B12R1.478 O=C(O)C(C1=CC=CC=C1)CO AK-90070 [0,2,0,0,0,0|1,0,0]=3 598 B12R1.16 C1=C(C(OCC)=O)C=CC(=C1)Br AK-47339 [0,2,0,0,0,0|0,0,2]=4 599 B12R1.16 C1=CC(=CC=C1C(OCC)=O)F AK-46539 [0,2,0,0,0,0|0,0,2]=4 600 B12R1.16 C=CC[C@H](C1=CC=C(F)C=C1)N AK172736 [0,2,0,0,0,0|1,0,1]=4 601 B12R1.16 CCCC(C1=CC=C(F)C=C1)=O AK324839 [0,2,0,0,0,0|0,0,2]=4 602 B12R1.16 CCCC(C1=CC=C(O)C=C1)=O AK114518 [0,2,0,0,0,0|0,0,2]=4 603 B12R1.16 COCC(C1=CC=C(O)C=C1)=O AK144287 [0,2,0,0,0,0|0,0,2]=4 604 B12R1.16 ClCCC(=O)C1=CC=C(Br)C=C1 AK-48143 [0,2,0,0,0,0|0,0,2]=4 605 B12R1.16 NC(CCO)C1=CC=C(C=C1)Cl AK-50547 [0,2,0,0,0,0|1,0,0]=3 606 B12R1.16 NC(CCO)C1=CC=C(C=C1)F AK-39303 [0,2,0,0,0,0|1,0,0]=3 607 B12R1.16 O=C(OCC)C1=CC=C(Cl)C=C1 AK109118 [0,2,0,0,0,0|0,0,2]=4 608 B12R1.16 O=C(OCC)C1=CC=C(I)C=C1 AK-43962 [0,2,0,0,0,0|0,0,2]=4 609 B12R1.16 O=C(OCC)C1=CC=C(N)C=C1 AK-46733 [0,2,0,0,0,0|0,0,2]=4 610 B12R1.16 O=C(OCC)C1=CC=C(O)C=C1 AK-49315 [0,2,0,0,0,0|0,0,2]=4 611 B12R1.16 OC1=CC=C(C(O)CNC)C=C1 AK-72983 [0,2,0,0,0,0|0,0,0]=2 612 B12R1.16 OCC[C@H](N)C1=CC=C(N)C=C1 AK310897 [0,2,0,0,0,0|1,0,0]=3 613 B12R1.17 C1=C(C=CC=C1C(OCC)=O)I AK-73125 [0,2,0,0,0,0|0,0,2]=4 614 B12R1.17 O=C(OCC)C1=CC=CC(Cl)=C1 AK-51253 [0,2,0,0,0,0|0,0,2]=4 615 B12R1.17 O=C(OCC)C1=CC=CC(N)=C1 AK103327 [0,2,0,0,0,0|0,0,2]=4 616 B12R1.17 O=C(OCC)C1=CC=CC(O)=C1 AK-76827 [0,2,0,0,0,0|0,0,2]=4 617 B12R1.17 OCCC(N)C1=CC=CC(Cl)=C1 AK-44745 [0,2,0,0,0,0|1,0,0]=3 618 B12R1.30 CNCCC(C1=CC=CC=C1)=O AK400477 [0,2,0,0,0,0|0,0,2]=4 619 B12R1.30 N#CCCN(C)C1=CC=CC=C1 AK113496 [0,2,0,0,0,0|2,0,0]=4 620 B12R1.30 O=C(OCCC)C1=CC=CC=C1 AK-93452 [0,2,0,0,0,0|0,0,2]=4 621 B12R1.30 OC(C1=CC=CC=C1)CCNC AK-48238 [0,2,0,0,0,0|0,0,0]=2 622 B12R1.30 OCCC[C@H](N)C1=CC=CC=C1 AK172741 [0,2,0,0,0,0|1,0,0]=3 623 B12R1.107 C1=C(C(CC(O)=O)O)C=CC=C1 AK-46121 [0,2,0,0,0,0|0,0,1]=3 624 B12R1.107 CC(CC(C1=CC=CC=C1)=O)=O AK161752 [0,2,0,0,0,0|0,0,2]=4 625 B12R1.107 CC(OC(C1=CC=CC=C1)C)=O AK122381 [0,2,0,0,0,0|1,0,1]=4 626 B12R1.107 O=C(O)CC(N)C1=CC=CC=C1 AK-35856 [0,2,0,0,0,0|1,0,1]=4 627 B12R1.107 O=C(O)C[C@@H](N)C1=CC=CC=C1 AK-45582 [0,2,0,0,0,0|1,0,1]=4 628 B12R1.107 O=C(O)C[C@@H](N)C1=CC=CC=C1 AK-76840 [0,2,0,0,0,0|1,0,1]=4 629 B12R1.107 O=C(O)C[C@H](N)C1=CC=CC=C1 AK-24698 [0,2,0,0,0,0|1,0,1]=4 630 B12R1.107 O=C(O)C[C@H](N)C1=CC=CC=C1 AK-24699 [0,2,0,0,0,0|1,0,1]=4 631 B12R1.308 C1=CC=CC(=C1C(OCC)=O)F AK-46540 [0,2,0,0,0,0|0,0,2]=4 632 B12R1.308 CCC[C@H](C1=CC=CC=C1C)N AK683690 [0,2,0,0,0,0|1,0,0]=3 633 B12R1.308 O=C(OCC)C1=CC=CC=C1Cl AK117233 [0,2,0,0,0,0|0,0,2]=4 634 B12R1.308 O=C(OCC)C1=CC=CC=C1I AK-94262 [0,2,0,0,0,0|0,0,2]=4 635 B12R1.308 O=C(OCC)C1=CC=CC=C1O AK114211 [0,2,0,0,0,0|0,0,2]=4 636 B12R1.5 CCC(C1=CC=C(CC)C=C1)=O AK-94191 [0,2,0,0,0,0|0,0,2]=4 637 B12R1.5 CC[C@@H](C1=CC=C(OC)C=C1)N AK134097 [0,2,0,0,0,0|1,0,0]=3 638 B12R1.5 COC1=CC=C(C(N)CO)C=C1 AK668329 [0,2,0,0,0,0|2,0,0]=4 639 B12R1.5 COC1=CC=C([C@@H](N)CO)C=C1 AK548216 [0,2,0,0,0,0|2,0,0]=4 640 B12R1.5 OCC(N)C1=CC=C(OC)C=C1 AK200151 [0,2,0,0,0,0|2,0,0]=4 641 B12R1.20 CC(C)C(C1=CC=C(Br)C=C1)=O AK106568 [0,2,0,0,0,0|0,0,2]=4 642 B12R1.20 CC(C)C(C1=CC=C(Cl)C=C1)=O AK163961 [0,2,0,0,0,0|0,0,2]=4 643 B12R1.20 CC(C)[C@@H](C1=CC=C(Br)C=C1)N AK684523 [0,2,0,0,0,0|1,0,0]=3 644 B12R1.20 O=C(O)C(O)C1=CC=C(O)C=C1 AK-88708 [0,2,0,0,0,0|1,0,1]=4 645 B12R1.20 O=C(O)[C@H](C1=CC=C(Cl)C=C1)O AK-87117 [0,2,0,0,0,0|1,0,1]=4 646 B12R1.20 OC(C([O-])=O)C1=CC=C(O)C=C1 AK104635 [0,2,0,0,0,0|1,0,1]=4 647 B12R1.367 CCC(C1=CC=C(C)C(C)=C1)=O AK-63917 [0,2,0,0,0,0|0,0,2]=4 648 B12R1.367 CCC(C1=CC=C(F)C(F)=C1)=O AK115109 [0,2,0,0,0,0|0,0,2]=4 649 B12R1.367 CC[C@@H](C1=CC=C(F)C(F)=C1)N AK133446 [0,2,0,0,0,0|1,0,0]=3 650 B12R1.367 CC[C@H](C1=CC=C(F)C(F)=C1)N AK133434 [0,2,0,0,0,0|1,0,0]=3 651 B12R1.367 ClC1=CC=C(C(N)CO)C=C1Cl AK406388 [0,2,0,0,0,0|2,0,0]=4 652 B12R1.367 ClC1=CC=C([C@@H](N)CO)C=C1Cl AK172646 [0,2,0,0,0,0|2,0,0]=4 653 B12R1.367 ClC1=CC=C([C@H](N)CO)C=C1Cl AK159392 [0,2,0,0,0,0|2,0,0]=4 654 B12R1.367 FC1=CC=C([C@H](N)CO)C=C1Cl AK321858 [0,2,0,0,0,0|2,0,0]=4 655 B12R1.1703 CC[C@@H](C1=CC=C(C)C=C1C)N AK134037 [0,2,0,0,0,0|1,0,0]=3 656 B12R1.1703 ClC1=CC=C(C(N)CO)C(Cl)=C1 AK523897 [0,2,0,0,0,0|2,0,0]=4 657 B12R1.1703 ClC1=CC=C(C(N)CO)C(Cl)=C1 AK670792 [0,2,0,0,0,0|2,0,0]=4 658 B12R1.24 CC1=C(F)C=CC=C1[C@@H](N)CO AK335746 [0,2,0,0,0,0|2,0,0]=4 659 B12R1.24 CC1=C(F)C=CC=C1[C@H](N)CO AK335745 [0,2,0,0,0,0|2,0,0]=4 660 B12R1.24 FC1=C(Cl)C=CC=C1[C@H](N)CO AK607991 [0,2,0,0,0,0|2,0,0]=4 661 B12R1.225 CC(C)C(C1=CC=CC(Br)=C1)=O AK105989 [0,2,0,0,0,0|0,0,2]=4 662 B12R1.225 OC1=CC=CC(C(N(C)C)C)=C1 AK-32756 [0,2,0,0,0,0|2,0,0]=4 663 B12R1.225 OC1=CC=CC([C@@H](N(C)C)C)=C1 AK-51758 [0,2,0,0,0,0|2,0,0]=4 664 B12R1.225 OC1=CC=CC([C@H](N(C)C)C)=C1 AK-36564 [0,2,0,0,0,0|2,0,0]=4 665 B12R1.354 CC[C@@H](C1=CC(F)=CC=C1F)N AK134085 [0,2,0,0,0,0|1,0,0]=3 666 B12R1.354 FC1=CC=C(F)C([C@H](N)CO)=C1 AK172746 [0,2,0,0,0,0|2,0,0]=4 667 B12R1.358 ClC1=CC(Cl)=CC(C(N)CO)=C1 AK-85685 [0,2,0,0,0,0|2,0,0]=4 668 B12R1.358 FC1=CC(F)=CC([C@@H](N)CO)=C1 AK167672 [0,2,0,0,0,0|2,0,0]=4 669 B12R1.358 FC1=CC(F)=CC([C@H](N)CO)=C1 AK548218 [0,2,0,0,0,0|2,0,0]=4 670 B12R1.435 COC1=CC([C@H](N)CO)=CC=C1 AK544247 [0,2,0,0,0,0|2,0,0]=4 671 B12R1.435 COC1=CC=CC(=C1)C(CC)=O AK-47465 [0,2,0,0,0,0|0,0,2]=4 672 B12R1.435 CSC1=CC([C@H](N)CO)=CC=C1 AK607965 [0,2,0,0,0,0|2,0,0]=4 673 B12R1.435 N#CC1=CC=CC([C@@H](N)CO)=C1 AK608006 [0,2,0,0,0,0|2,0,0]=4 674 B12R1.435 N#CC1=CC=CC([C@H](N)CC)=C1 AK-42511 [0,2,0,0,0,0|1,0,0]=3 675 B12R1.435 N[C@@H](C1=CC=CC(OC)=C1)CC AK-42211 [0,2,0,0,0,0|1,0,0]=3 676 B12R1.124 C1=C(C(C(O)=O)O)C(=CC=C1)Cl AK-46625 [0,2,0,0,0,0|1,0,1]=4 677 B12R1.124 CC(Br)C(C1=CC=CC=C1Cl)=O AK208953 [0,2,0,0,0,0|0,0,2]=4 678 B12R1.124 O=C(O)[C@H](C1=CC=CC=C1Cl)O AK-81923 [0,2,0,0,0,0|1,0,1]=4 679 B12R1.564 CC(C(C1=CC=CC=C1)N)(C)C AK-46103 [0,2,0,0,0,0|1,0,0]=3 680 B12R1.564 CC(C)(C)[C@H](C1=CC=CC=C1)N AK167726 [0,2,0,0,0,0|1,0,0]=3 681 B12R1.564 CC(C)(O)C(C1=CC=CC=C1)=O AK-98815 [0,2,0,0,0,0|0,0,2]=4 682 B12R1.564 FC(F)(F)C(O)C1=CC=CN=C1 AK142849 [0,2,0,0,0,0|2,0,0]=4 683 B12R1.564 FC(F)(F)[C@H](N)C1=CC=CC=C1 AK-44313 [0,2,0,0,0,0|2,0,0]=4 684 B12R1.77 COC1=CC=CC=C1C(N)CO AK687507 [0,2,0,0,0,0|2,0,0]=4 685 B12R1.77 OC[C@@H](N)C1=CC=CC=C1OC AK340715 [0,2,0,0,0,0|2,0,0]=4 686 B10R2.320 BrC1C2=CC=CC=C2C1 AK163275 [1,0,0,1,0,0|1,0,0]=3 687 B10R2.320 C1=CC=CC2=C1CC2=O AK-72898 [1,0,0,1,0,0|0,0,2]=4 688 B10R2.7 C12=C(CNC1)C=CC=C2 AK-46308 [1,0,0,1,0,0|1,0,0]=3 689 B10R2.7 C12=C(NCC1)C=CC=C2 AK-49832 [1,0,0,1,0,0|1,0,0]=3 690 B10R2.7 C12=CC=CC=C1OCO2 AK-48090 [1,0,0,1,0,0|2,0,0]=4 691 B10R2.7 C12=NC=CC=C1CCN2 AK-23969 [1,0,0,1,0,0|2,0,0]=4 692 B10R2.7 C12=NC=CC=C1CNC2 AK-27514 [1,0,0,1,0,0|2,0,0]=4 693 B10R2.7 C1=CC=CC2=C1CCO2 AK-35322 [1,0,0,1,0,0|1,0,0]=3 694 B10R2.7 C1NCC2=C1C=CN=C2 AK-49968 [1,0,0,1,0,0|2,0,0]=4 695 B10R2.7 C=12CNCC1C=CN=C2 AK-27368 [1,0,0,1,0,0|2,0,0]=4 696 B10R2.7 C=12NCCC1C=CN=C2 AK-76917 [1,0,0,1,0,0|2,0,0]=4 697 B10R2.7 C=12NCCC1C=CN=C2 AK138671 [1,0,0,1,0,0|2,0,0]=4 698 B12R2.18 CC1C(C)NC2=C1C=CC=C2 AK115892 [0,0,0,1,0,1|1,0,0]=3 699 B12R2.18 O[C@@H]1[C@H](N)C2=C(C=CC=C2)C1 AK-27059 [0,0,0,1,0,1|1,0,0]=3 700 B12R2.18 O[C@H]1[C@@H](N)C2=C(C=CC=C2)C1 AK-25342 [0,0,0,1,0,1|1,0,0]=3 701 B12R2.24 C1=CC=CC2=C1NC(=O)CC2 AK-26121 [0,0,0,1,0,1|0,0,2]=4 702 B12R2.24 CC1CC2=C(CN1)C=CC=C2 AK-77462 [0,0,0,1,0,1|2,0,0]=4 703 B12R2.24 CC1CCC2=CC=CC=C2N1 AK-33768 [0,0,0,1,0,1|1,0,0]=3 704 B12R2.24 CC1CNC2=C(C=CC=C2)C1 AK146007 [0,0,0,1,0,1|2,0,0]=4 705 B12R2.24 NC1CC2=C(C=CC=C2)CC1 AK-33697 [0,0,0,1,0,1|1,0,0]=3 706 B12R2.24 NC1CNC2=C(C=CC=C2)C1 AK-78514 [0,0,0,1,0,1|2,0,0]=4 707 B12R2.24 NC1CNC2=CC=CC=C2C1 AK-68575 [0,0,0,1,0,1|2,0,0]=4 708 B12R2.24 N[C@@H]1CC2=C(C=CC=C2)CC1 AK-25606 [0,0,0,1,0,1|1,0,0]=3 709 B12R2.24 N[C@H]1CC2=C(C=CC=C2)CC1 AK128431 [0,0,0,1,0,1|1,0,0]=3 710 B12R2.24 OC1CC2=C(C=CC=C2)CC1 AK324558 [0,0,0,1,0,1|0,0,0]=2 711 B12R2.27 OCC1C(C2=CC=CC=C2)C1 AK114344 [0,0,0,1,0,1|2,0,0]=4 712 B12R2.32 CCC1=CC2=C(N1)C=CC=C2 AK-29204 [0,0,0,1,0,1|1,0,1]=4 713 B12R2.32 CCC1=NC2=CC=CC=C2N1 AK-31912 [0,0,0,1,0,1|1,0,1]=4 714 B12R2.32 CCC1=NC2=CC=CC=C2O1 AK551044 [0,0,0,1,0,1|0,0,1]=3 715 B12R2.32 CCC1=NC2=NC=CC=C2O1 AK-85808 [0,0,0,1,0,1|1,0,1]=4 716 B12R2.32 CNC1CC2=C(C=CC=C2)C1 AK119636 [0,0,0,1,0,1|2,0,0]=4 717 B12R2.32 CSC1=NC2=CC=CC=C2O1 AK108390 [0,0,0,1,0,1|1,0,1]=4 718 B12R2.32 ClCC1=NC2=C(O1)C=CC=C2 AK-61808 [0,0,0,1,0,1|1,0,1]=4 719 B12R2.32 O1C2=C(N=C1CO)C=CC=C2 AK-31640 [0,0,0,1,0,1|1,0,1]=4 720 B12R2.32 OCC1OC2=CC=CC=C2C1 AK-50020 [0,0,0,1,0,1|1,0,0]=3 721 B12R2.48 C#CC1(CC1)C2=CC=CC=C2 AK-42007 [0,1,0,1,0,0|1,0,0]=3 722 B12R2.48 N#CC1(CC1)C2=CC=CC=C2 AK-36918 [0,1,0,1,0,0|1,0,0]=3 723 B12R2.48 N#CC1(CC1)C2=CC=CN=C2 AK100123 [0,1,0,1,0,0|2,0,0]=4 724 B12R2.48 N#CC1(CC1)C2=CC=NC=C2 AK100128 [0,1,0,1,0,0|2,0,0]=4 725 B12R2.116 OC1(C2=CC=CC=C2)CNC1 AK136597 [0,1,0,1,0,0|0,0,0]=2 726 B12R2.116 OC1(C2=CC=CC=C2)COC1 AK140940 [0,1,0,1,0,0|0,0,0]=2 727 B12R2.2403 CC1(C)CNC2=C1C=CC=C2 AK139225 [0,1,0,1,0,0|2,0,0]=4 728 B12R2.1 N#CC1CCC2=C1C=CC=C2 AK-68472 [0,1,0,1,0,0|1,0,0]=3 729 B12R2.2 C1(C2=CC=CN=C2)=NCCO1 AK158900 [0,1,0,1,0,0|1,0,1]=4 730 B12R2.2 C1([C@@H]2NCCC2)=CC=CN=C1 AK544513 [0,1,0,1,0,0|2,0,0]=4 731 B12R2.2 C1([C@@H]2NCCC2)=NC=CC=C1 AK153990 [0,1,0,1,0,0|2,0,0]=4 732 B12R2.2 C1([C@H]2NCCC2)=CC=CN=C1 AK-75905 [0,1,0,1,0,0|2,0,0]=4 733 B12R2.2 C1=C(C2CCCN2)C=NC=C1 AK-30521 [0,1,0,1,0,0|2,0,0]=4 734 B12R2.2 C1CNC(C1)C2=CC=CC=C2 AK-39010 [0,1,0,1,0,0|1,0,0]=3 735 B12R2.2 [C@@H]1(C2=CC=CC=C2)CNCC1 AK-76742 [0,1,0,1,0,0|1,0,0]=3 736 B12R2.2 [C@H]1(C2=CC=CC=C2)NCCC1 AK129122 [0,1,0,1,0,0|1,0,0]=3 737 B12R2.2 [C@H]1(C2=CC=CC=C2)NCCC1 AK141955 [0,1,0,1,0,0|1,0,0]=3 738 B12R2.22 NC1CC(C2=CC=CC=C2)C1 AK186081 [0,1,0,1,0,0|1,0,0]=3 739 B12R2.1081 C1=CC=CC2=C1C(=O)NCC2 AK-25321 [0,1,0,1,0,0|0,0,2]=4 740 B12R2.1081 C1=CC=CC2=C1CCNC2C AK-29302 [0,1,0,1,0,0|1,0,0]=3 741 B12R2.1081 CC1C2=CC=CC=C2CCN1 AK-57161 [0,1,0,1,0,0|1,0,0]=3 742 B12R2.1081 CC1CCNC2=C1C=CC=C2 AK139156 [0,1,0,1,0,0|1,0,0]=3 743 B12R2.1081 CC1CNCC2=C1C=CC=C2 AK130522 [0,1,0,1,0,0|1,0,0]=3 744 B12R2.1081 CN1CCNC2=C1C=CC=C2 AK-39613 [0,1,0,1,0,0|2,0,0]=4 745 B12R2.1081 N1=CC=CC2=C1C(CCC2)O AK-25433 [0,1,0,1,0,0|1,0,0]=3 746 B12R2.1081 NC1C2=C(N=CC=C2)CCC1 AK-37645 [0,1,0,1,0,0|2,0,0]=4 747 B12R2.1081 NC1CCCC2=C1C=CC=C2 AK-31970 [0,1,0,1,0,0|1,0,0]=3 748 B12R2.1081 NC1CCCC2=C1C=CC=C2 AK-81453 [0,1,0,1,0,0|1,0,0]=3 749 B12R2.1081 NC1CCCC2=C1N=CC=C2 AK-82329 [0,1,0,1,0,0|2,0,0]=4 750 B12R2.1081 NC1CCCC2=C1N=CC=C2 AK145925 [0,1,0,1,0,0|2,0,0]=4 751 B12R2.1081 NC1CCNC2=C1C=CC=C2 AK128627 [0,1,0,1,0,0|1,0,0]=3 752 B12R2.1081 NC1CCOC2=C1C=CC=C2 AK-32488 [0,1,0,1,0,0|1,0,0]=3 753 B12R2.1081 NC1CCOC2=C1C=CC=C2 AK-43439 [0,1,0,1,0,0|1,0,0]=3 754 B12R2.1081 N[C@@H]1CCCC2=C1C=CC=C2 AK105266 [0,1,0,1,0,0|1,0,0]=3 755 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 AK-54431 [0,1,0,1,0,0|1,0,0]=3 756 B12R2.1081 O=C1CCCC2=C1C=CC=C2 AK-43970 [0,1,0,1,0,0|0,0,2]=4 757 B12R2.1081 O=C1CCNC2=C1C=CC=C2 AK-77367 [0,1,0,1,0,0|0,0,2]=4 758 B12R2.1081 O=C1CCOC2=C1C=CC=C2 AK-46406 [0,1,0,1,0,0|0,0,2]=4 759 B12R2.1081 O=C1OCCC2=C1C=CC=C2 AK-84484 [0,1,0,1,0,0|0,0,2]=4 760 B12R2.1081 OC1CCCC2=C1C=CC=C2 AK-50542 [0,1,0,1,0,0|0,0,0]=2 761 B12R2.1081 OC1CCNC2=C1C=CC=C2 AK-87029 [0,1,0,1,0,0|0,0,0]=2 762 B12R2.1081 OC1COCC2=C1C=CC=C2 AK-76197 [0,1,0,1,0,0|0,0,0]=2 763 B12R2.1081 [C@H]1(C2=CC=CC=C2CCC1)N AK-34256 [0,1,0,1,0,0|1,0,0]=3 764 B12R2.2028 BrC1CC(=O)C2=C1C=CC=C2 AK-32505 [0,1,0,1,0,0|0,0,2]=4 765 B12R2.2028 O=C1OC(O)C2=C1C=CC=C2 AK607884 [0,1,0,1,0,0|1,0,1]=4 766 B12R2.290 NC1(C2=CC=C(Br)C=C2)CC1 AK-90820 [0,1,0,1,0,0|1,0,0]=3 767 B12R2.612 C1=C(C=CC2=C1CCC2=O)Cl AK-31971 [0,1,0,1,0,0|0,0,2]=4 768 B12R2.612 CC1=CC=C2C(N)CCC2=C1 AK-60573 [0,1,0,1,0,0|1,0,0]=3 769 B12R2.612 NC1CCC2=C1C=CC(Cl)=C2 AK-31447 [0,1,0,1,0,0|1,0,0]=3 770 B12R2.612 NC1COC2=CC(Br)=CC=C12 AK-27555 [0,1,0,1,0,0|2,0,0]=4 771 B12R2.612 N[C@@H]1CCC2=C1C=CC(Br)=C2 AK175313 [0,1,0,1,0,0|1,0,0]=3 772 B12R2.612 N[C@@H]1CCC2=C1C=CC(Cl)=C2 AK-76304 [0,1,0,1,0,0|1,0,0]=3 773 B12R2.612 N[C@@H]1CCC2=C1C=CC(Cl)=C2 AK544242 [0,1,0,1,0,0|1,0,0]=3 774 B12R2.612 N[C@@H]1CCC2=C1C=CC(F)=C2 AK-42485 [0,1,0,1,0,0|1,0,0]=3 775 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 AK-51085 [0,1,0,1,0,0|1,0,0]=3 776 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 AK-76305 [0,1,0,1,0,0|1,0,0]=3 777 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 AK544243 [0,1,0,1,0,0|1,0,0]=3 778 B12R2.612 O=C1CCC2=C1C=CC(Br)=C2 AK-25818 [0,1,0,1,0,0|0,0,2]=4 779 B12R2.612 O=C1CCC2=C1C=CC(C)=C2 AK-41812 [0,1,0,1,0,0|0,0,2]=4 780 B12R2.612 O=C1CCC2=C1C=CC(F)=C2 AK-26274 [0,1,0,1,0,0|0,0,2]=4 781 B12R2.612 O=C1CCC2=C1C=CC(I)=C2 AK-29326 [0,1,0,1,0,0|0,0,2]=4 782 B12R2.612 O=C1CCC2=C1C=CC(N)=C2 AK-34777 [0,1,0,1,0,0|0,0,2]=4 783 B12R2.612 OB1OCC2=CC(F)=CC=C12 AK163946 [0,1,0,1,0,0|2,0,0]=4 784 B12R2.612 OC1CCC2=C1C=CC(Cl)=C2 AK109538 [0,1,0,1,0,0|0,0,0]=2 785 B12R2.132 C1=CC(=CC2=C1CCC2=O)Br AK-26732 [0,1,0,1,0,0|0,0,2]=4 786 B12R2.132 ClC1=CC=C2C(=C1)C(CC2)=O AK-29868 [0,1,0,1,0,0|0,0,2]=4 787 B12R2.132 NC1CCC2=C1C=C(Cl)C=C2 AK-36062 [0,1,0,1,0,0|1,0,0]=3 788 B12R2.132 NC1CCC2=C1C=C(F)C=C2 AK164000 [0,1,0,1,0,0|1,0,0]=3 789 B12R2.132 N[C@@H]1CCC2=C1C=C(F)C=C2 AK-42229 [0,1,0,1,0,0|1,0,0]=3 790 B12R2.132 N[C@H]1CCC2=C1C=C(F)C=C2 AK-42484 [0,1,0,1,0,0|1,0,0]=3 791 B12R2.132 O=C1CCC2=C1C=C(C)C=C2 AK-34324 [0,1,0,1,0,0|0,0,2]=4 792 B12R2.132 O=C1CCC2=C1C=C(I)C=C2 AK-28079 [0,1,0,1,0,0|0,0,2]=4 793 B12R2.132 O=C1CCC2=C1C=C(O)C=C2 AK-35907 [0,1,0,1,0,0|0,0,2]=4 794 B12R2.132 OC1CCC2=C1C=C(Br)C=C2 AK146224 [0,1,0,1,0,0|0,0,0]=2 795 B12R2.196 CC1=C2CCC(=O)C2=CC=C1 AK-75612 [0,1,0,1,0,0|0,0,2]=4 796 B12R2.196 ClC1=C2C(=CC=C1)C(CC2)=O AK-28796 [0,1,0,1,0,0|0,0,2]=4 797 B12R2.196 NC1CCC2=C(F)C=CC=C12 AK-80219 [0,1,0,1,0,0|1,0,0]=3 798 B12R2.196 NC1CCC2=C1C=CC=C2Br AK174612 [0,1,0,1,0,0|1,0,0]=3 799 B12R2.196 NC1CCC2=C1C=CC=C2Cl AK164257 [0,1,0,1,0,0|1,0,0]=3 800 B12R2.196 NC1COC2=C(Br)C=CC=C12 AK684522 [0,1,0,1,0,0|2,0,0]=4 801 B12R2.196 N[C@@H]1CCC2=C1C=CC=C2Br AK-42512 [0,1,0,1,0,0|1,0,0]=3 802 B12R2.196 N[C@@H]1COC2=C(Br)C=CC=C12 AK677834 [0,1,0,1,0,0|2,0,0]=4 803 B12R2.196 N[C@@H]1COC2=C(Cl)C=CC=C12 AK677835 [0,1,0,1,0,0|2,0,0]=4 804 B12R2.196 N[C@H]1CCC2=C1C=CC=C2Br AK-42513 [0,1,0,1,0,0|1,0,0]=3 805 B12R2.196 N[C@H]1CCC2=C1C=CC=C2F AK-42269 [0,1,0,1,0,0|1,0,0]=3 806 B12R2.196 O=C1CCC2=C1C=CC=C2Br AK-31085 [0,1,0,1,0,0|0,0,2]=4 807 B12R2.196 O=C1CCC2=C1C=CC=C2F AK-30423 [0,1,0,1,0,0|0,0,2]=4 808 B12R2.196 O=C1CCC2=C1C=CC=C2N AK-29325 [0,1,0,1,0,0|0,0,2]=4 809 B12R2.196 OC1=C2C(=CC=C1)C(CC2)=O AK-39828 [0,1,0,1,0,0|0,0,2]=4 810 B12R2.196 OC1CCC2=C(Cl)C=CN=C21 AK-38478 [0,1,0,1,0,0|1,0,0]=3 811 B12R2.88 NC1(C2=CC=CC=C2F)CC1 AK-90843 [0,1,0,1,0,0|1,0,0]=3 812 B12R2.203 CC1=CC=CC2=C1C(=O)CC2 AK-41002 [0,1,0,1,0,0|0,0,2]=4 813 B12R2.203 FC1=C2C(CCC2=CC=C1)=O AK-30094 [0,1,0,1,0,0|0,0,2]=4 814 B12R2.203 NC1CCC2=C1C(Br)=CC=C2 AK608488 [0,1,0,1,0,0|1,0,0]=3 815 B12R2.203 N[C@H]1CCC2=C1C(F)=CC=C2 AK608001 [0,1,0,1,0,0|1,0,0]=3 816 B12R2.203 O=C1CCC2=C1C(Br)=CC=C2 AK-28759 [0,1,0,1,0,0|0,0,2]=4 817 B12R2.203 O=C1CCC2=C1C(Cl)=CC=C2 AK-29207 [0,1,0,1,0,0|0,0,2]=4 818 B12R2.203 O=C1CCC2=C1C(N)=CC=C2 AK-30069 [0,1,0,1,0,0|0,0,2]=4 819 B12R2.203 O=C1CCC2=C1C(O)=CC=C2 AK-36137 [0,1,0,1,0,0|0,0,2]=4 820 B8R1.7 CC(C1=CC=CO1)C AK120816 [1,0,0,0,1,0|2,0,0]=4 821 B8R1.7 C[C@H](N)C1=CC=CO1 AK544263 [1,0,0,0,1,0|2,0,0]=4 822 B8R1.7 C[C@H](N)C1=CC=CS1 AK486945 [1,0,0,0,1,0|2,0,0]=4 823 B8R1.8 C1=CN=C(CCC)[NH]1 AK-49074 [1,0,0,0,1,0|2,0,0]=4 824 B8R1.8 CCCC1=NC=CS1 AK-60893 [1,0,0,0,1,0|2,0,0]=4 825 B8R1.8 CCCN1C=CN=C1 AK111106 [1,0,0,0,1,0|2,0,0]=4 826 B8R1.8 CNCC1=CC=CS1 AK-16718 [1,0,0,0,1,0|2,0,0]=4 827 B8R1.8 CNCC1=CSC=C1 AK-49561 [1,0,0,0,1,0|2,0,0]=4 828 B8R1.8 NCCC1=CC=CS1 AK-44822 [1,0,0,0,1,0|2,0,0]=4 829 B8R1.8 NCCC1=CSC=C1 AK-28310 [1,0,0,0,1,0|2,0,0]=4 830 B8R1.8 NCCC1=CSC=C1 AK-49962 [1,0,0,0,1,0|2,0,0]=4 831 B8R1.8 NCCN1C=CC=C1 AK-34573 [1,0,0,0,1,0|2,0,0]=4 832 B8R1.8 OCCC1=CC=CS1 AK-43981 [1,0,0,0,1,0|2,0,0]=4 833 B8R1.8 OCCC1=CSC=C1 AK-68259 [1,0,0,0,1,0|2,0,0]=4 834 B12R1.27 C[C@H](NCC1=CC=CC=C1)CO AK112680 [0,0,0,0,0,2|2,0,0]=4