0 B9R1.41 C1=C([N](C=N1)C)[N+](=O)[O-] AK-30556 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.41 C1=CC(=C(S1)N)C(=O)N AK-50549 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.41 C1=NC(=C(C(O)=O)O1)C AK-25663 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.41 CC(=O)N1C=COC1=O AK-82187 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.41 CC(C1=CC=CN1C)=O AK148515 [0,0,0,0,0,0|0,0,0]=0 5 B9R1.41 CC(C1=CN=CN1C)=O AK140652 [0,0,0,0,0,0|1,0,0]=1 6 B9R1.41 CC1=C(C=CN1)C(O)=O AK-77215 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.41 CC1=C(OC=C1)C(O)=O AK-89342 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.41 CC1=NOC=C1C(=O)O AK-33667 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.41 CN1C=CN=C1C(C)=O AK-54843 [0,0,0,0,0,0|1,0,0]=1 10 B9R1.41 CN1N=CC=C1C(C)=O AK-40773 [0,0,0,0,0,0|1,0,0]=1 11 B9R1.41 ClC1=C(C=CS1)C(=O)O AK-29355 [0,0,0,0,0,0|4,0,0]=4 12 B9R1.41 FC1=C(SC=C1)C(=O)O AK-29153 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.41 O=C(C1=C(Br)C=CS1)O AK-29480 [0,0,0,0,0,0|4,0,0]=4 14 B9R1.41 O=C(C1=C(Br)SC=C1)O AK-34310 [0,0,0,0,0,0|4,0,0]=4 15 B9R1.41 O=C(C1=C(C)C=CN1)O AK-36827 [0,0,0,0,0,0|3,0,0]=3 16 B9R1.41 O=C(C1=C(C)C=CS1)O AK-25644 [0,0,0,0,0,0|3,0,0]=3 17 B9R1.41 O=C(C1=C(C)C=NO1)O AK-25674 [0,0,0,0,0,0|4,0,0]=4 18 B9R1.41 O=C(C1=C(C)N=CS1)O AK-29930 [0,0,0,0,0,0|4,0,0]=4 19 B9R1.41 O=C(C1=C(C)OC=N1)O AK-24069 [0,0,0,0,0,0|4,0,0]=4 20 B9R1.41 O=C(C1=C(C)ON=C1)O AK-32464 [0,0,0,0,0,0|4,0,0]=4 21 B9R1.41 O=C(C1=C(C)SC=C1)O AK-33900 [0,0,0,0,0,0|3,0,0]=3 22 B9R1.41 O=C(C1=C(C)SC=N1)O AK-25323 [0,0,0,0,0,0|4,0,0]=4 23 B9R1.41 O=C(C1=C(I)C=CS1)O AK167455 [0,0,0,0,0,0|4,0,0]=4 24 B9R1.41 O=C(C1=CC=CN1N)N AK-45334 [0,0,0,0,0,0|2,0,0]=2 25 B9R1.41 O=C(C1=CC=NN1C)O AK-33521 [0,0,0,0,0,0|2,0,0]=2 26 B9R1.41 O=C(C1=CN=CN1C)O AK-35106 [0,0,0,0,0,0|2,0,0]=2 27 B9R1.41 O=C(C1=CN=NN1C)O AK-31403 [0,0,0,0,0,0|3,0,0]=3 28 B9R1.41 O=C(C1=CNN=C1C)O AK-39586 [0,0,0,0,0,0|4,0,0]=4 29 B9R1.41 O=C(C1=CSC=C1C)O AK-64461 [0,0,0,0,0,0|3,0,0]=3 30 B9R1.41 O=C(C1=NC=CN1C)O AK-28560 [0,0,0,0,0,0|2,0,0]=2 31 B9R1.41 O=C(C1=NC=NN1C)O AK179208 [0,0,0,0,0,0|3,0,0]=3 32 B9R1.41 O=C(C1=NOC=C1C)O AK101261 [0,0,0,0,0,0|4,0,0]=4 33 B9R1.41 OB(C1=CC=NN1C)O AK-40744 [0,0,0,0,0,0|3,0,1]=4 34 B9R1.41 OC(=O)C1=C(Br)C=CO1 AK110945 [0,0,0,0,0,0|4,0,0]=4 35 B9R1.41 OC(=O)C1=C(Cl)C=CS1 AK-48375 [0,0,0,0,0,0|4,0,0]=4 36 B8R1.7 C1=C(C(=O)O)[NH]C=N1 AK-25282 [1,0,0,0,0,0|2,0,0]=3 37 B8R1.7 C1=C([N+]([O-])=O)[NH]C=N1 AK-34599 [1,0,0,0,0,0|3,0,0]=4 38 B8R1.7 C1=C([N+]([O-])=O)[NH]N=C1 AK-27124 [1,0,0,0,0,0|3,0,0]=4 39 B8R1.7 C1=COC=C1C(O)=O AK-32276 [1,0,0,0,0,0|3,0,0]=4 40 B8R1.7 C1=CSC(=N1)C(C)=O AK-46781 [1,0,0,0,0,0|1,0,1]=3 41 B8R1.7 C1=NC=C(S1)C(=O)O AK-27761 [1,0,0,0,0,0|3,0,0]=4 42 B8R1.7 CC(=O)C1=CC=CN1 AK-53458 [1,0,0,0,0,0|0,0,0]=1 43 B8R1.7 CC(=O)C1=CC=NO1 AK-68495 [1,0,0,0,0,0|2,0,0]=3 44 B8R1.7 CC(=O)C1=CSC=C1 AK-44537 [1,0,0,0,0,0|2,0,0]=3 45 B8R1.7 CC(C1=CC=CO1)C AK120816 [1,0,0,0,0,0|2,0,1]=4 46 B8R1.7 CC(C1=NC=CN1)C AK106223 [1,0,0,0,0,0|2,0,1]=4 47 B8R1.7 C[C@H](N)C1=CC=CO1 AK544263 [1,0,0,0,0,0|2,0,1]=4 48 B8R1.7 C[C@H](N)C1=CC=CS1 AK486945 [1,0,0,0,0,0|2,0,1]=4 49 B8R1.7 NC(=O)C1=COC=N1 AK-99961 [1,0,0,0,0,0|2,0,1]=4 50 B8R1.7 NC(=O)C1=NC=NN1 AK-32575 [1,0,0,0,0,0|3,0,0]=4 51 B8R1.7 O1C=CC(=N1)C(=O)O AK-27692 [1,0,0,0,0,0|2,0,1]=4 52 B8R1.7 O=C(C1=CC=CN1)O AK-44225 [1,0,0,0,0,0|1,0,0]=2 53 B8R1.7 O=C(C1=CC=CO1)O AK-72863 [1,0,0,0,0,0|2,0,0]=3 54 B8R1.7 O=C(C1=CC=CS1)[O-] AK110095 [1,0,0,0,0,0|2,0,0]=3 55 B8R1.7 O=C(C1=CC=NO1)O AK-25596 [1,0,0,0,0,0|3,0,0]=4 56 B8R1.7 O=C(C1=CC=NS1)O AK-94814 [1,0,0,0,0,0|3,0,0]=4 57 B8R1.7 O=C(C1=CN=CO1)O AK-28732 [1,0,0,0,0,0|3,0,0]=4 58 B8R1.7 O=C(C1=CNC=C1)C AK-45953 [1,0,0,0,0,0|2,0,0]=3 59 B8R1.7 O=C(C1=CNC=N1)C AK-45163 [1,0,0,0,0,0|1,0,1]=3 60 B8R1.7 O=C(C1=COC=N1)O AK-29026 [1,0,0,0,0,0|2,0,1]=4 61 B8R1.7 O=C(C1=CSC=C1)O AK-46373 [1,0,0,0,0,0|3,0,0]=4 62 B8R1.7 O=C(C1=CSC=N1)O AK-23931 [1,0,0,0,0,0|2,0,1]=4 63 B8R1.7 O=C(C1=NC=CN1)N AK139797 [1,0,0,0,0,0|2,0,0]=3 64 B8R1.7 O=C(C1=NC=CO1)[O-] AK-93393 [1,0,0,0,0,0|2,0,1]=4 65 B8R1.7 O=C(C1=NNC=C1)N AK-27992 [1,0,0,0,0,0|2,0,1]=4 66 B8R1.7 O=C(C1=NNC=C1)O AK-29904 [1,0,0,0,0,0|2,0,1]=4 67 B8R1.7 O=C([C@H]1NCC=C1)O AK-77612 [1,0,0,0,0,0|1,0,2]=4 68 B8R1.7 O=[N+](C1=CC=CN1)[O-] AK-77322 [1,0,0,0,0,0|2,0,0]=3 69 B8R1.7 O=[N+](C1=NC=CN1)[O-] AK-28550 [1,0,0,0,0,0|3,0,0]=4 70 B8R1.7 OC(=O)C1=CNC=C1 AK-26450 [1,0,0,0,0,0|3,0,0]=4 71 B8R1.7 S1C=C(N=C1)C(C)=O AK-39395 [1,0,0,0,0,0|1,0,1]=3 72 B8R1.7 S1C=CN=C1C(=O)O AK-21895 [1,0,0,0,0,0|2,0,1]=4 73 B8R1.7 S=C(C1=CC=CS1)N AK-40144 [1,0,0,0,0,0|2,1,0]=4 74 B8R1.7 [C@@H]1(NCC=C1)C(O)=O AK-45899 [1,0,0,0,0,0|1,0,2]=4 75 B8R1.7 [NH]1C=CN=C1C(=O)O AK-27693 [1,0,0,0,0,0|2,0,0]=3 76 B8R1.7 [O-]C(=O)C1=CC=CS1 AK111442 [1,0,0,0,0,0|2,0,0]=3 77 B8R1.11 BrC1=CSC=C1C=O AK-33868 [1,0,0,0,0,0|3,0,0]=4 78 B8R1.11 C1=CN=C(C=O)[N]1C AK-38404 [1,0,0,0,0,0|1,0,0]=2 79 B8R1.11 CC1=C(C=O)N=CS1 AK-74018 [1,0,0,0,0,0|3,0,0]=4 80 B8R1.11 CC1=C(SC=N1)C=O AK-36462 [1,0,0,0,0,0|3,0,0]=4 81 B8R1.11 CC1=N[NH]C=C1C=O AK-27719 [1,0,0,0,0,0|3,0,0]=4 82 B8R1.11 CN1C=CN=C1CCl AK-45446 [1,0,0,0,0,0|2,0,1]=4 83 B8R1.11 CN1C=CN=C1CN AK-38431 [1,0,0,0,0,0|2,0,1]=4 84 B8R1.11 CSC1=C(C)OC=C1 AK307519 [1,0,0,0,0,0|3,0,0]=4 85 B8R1.11 CSC1=NC=CN1C AK175602 [1,0,0,0,0,0|2,0,0]=3 86 B8R1.11 C[N]1C(=CC=N1)C=O AK-34470 [1,0,0,0,0,0|1,0,0]=2 87 B8R1.11 NCC1=CC=CN1C AK-44946 [1,0,0,0,0,0|1,0,1]=3 88 B8R1.11 NCC1=CC=NN1C AK-76608 [1,0,0,0,0,0|2,0,1]=4 89 B8R1.11 O=CC1=C(Br)C=CS1 AK-36900 [1,0,0,0,0,0|3,0,0]=4 90 B8R1.11 O=CC1=C(Br)SC=C1 AK129456 [1,0,0,0,0,0|3,0,0]=4 91 B8R1.11 O=CC1=C(C)NC=N1 AK117462 [1,0,0,0,0,0|3,0,0]=4 92 B8R1.11 O=CC1=C(Cl)SC=C1 AK141878 [1,0,0,0,0,0|3,0,0]=4 93 B8R1.11 O=CC1=C(I)SC=C1 AK143585 [1,0,0,0,0,0|3,0,0]=4 94 B8R1.11 OCC1=CC=NN1C AK-65816 [1,0,0,0,0,0|1,0,2]=4 95 B8R1.11 OCC1=NC=CN1C AK-23555 [1,0,0,0,0,0|1,0,2]=4 96 B10R1.39 CCN1C=CC=C1C(C)=O AK-87978 [0,1,0,0,0,0|0,0,0]=1 97 B10R1.39 O=C(C1=CC=NN1CC)O AK-83430 [0,1,0,0,0,0|2,0,0]=3 98 B10R1.39 O=C(C1=CN=CN1CC)O AK118722 [0,1,0,0,0,0|2,0,0]=3 99 B10R1.39 O=C(C1=CSC=C1OC)O AK-36174 [0,1,0,0,0,0|3,0,0]=4 100 B10R1.59 CC(=O)C1=C(C)N=C(C)S1 AK-80296 [0,1,0,0,0,0|3,0,0]=4 101 B10R1.59 CC(=O)C1=C(C)SC(N)=N1 AK104686 [0,1,0,0,0,0|3,0,0]=4 102 B10R1.59 CC(C1=C(Br)SC(Br)=C1)=O AK143157 [0,1,0,0,0,0|3,0,0]=4 103 B10R1.59 CC(C1=C(C)C=C(C)O1)=O AK126891 [0,1,0,0,0,0|2,0,0]=3 104 B10R1.59 CC(C1=CC(C)=NN1C)=O AK-39987 [0,1,0,0,0,0|1,0,0]=2 105 B10R1.59 O=C(C1=CC(Br)=CN1C)O AK101071 [0,1,0,0,0,0|1,0,0]=2 106 B10R1.59 O=C(C1=CC(C)=NN1C)N AK-58611 [0,1,0,0,0,0|2,0,0]=3 107 B10R1.59 O=C(C1=CC(C)=NN1C)O AK-29420 [0,1,0,0,0,0|2,0,0]=3 108 B10R1.149 C1=CSC(=C1C(OC)=O)N AK-26003 [0,1,0,0,0,0|3,0,0]=4 109 B10R1.149 CC1=C(C=CS1)C(=O)OC AK-40494 [0,1,0,0,0,0|2,0,0]=3 110 B10R1.149 CC1=C(SC=N1)C(=O)OC AK-27820 [0,1,0,0,0,0|3,0,0]=4 111 B10R1.149 CC1=N[NH]C=C1C(=O)OC AK-31098 [0,1,0,0,0,0|3,0,0]=4 112 B10R1.149 COC(=O)C1=C(Br)SC=C1 AK-68215 [0,1,0,0,0,0|3,0,0]=4 113 B10R1.149 COC(=O)C1=C(C)C=CO1 AK-89345 [0,1,0,0,0,0|2,0,0]=3 114 B10R1.149 COC(=O)C1=C(Cl)C=CN1 AK109924 [0,1,0,0,0,0|3,0,0]=4 115 B10R1.149 COC(=O)C1=CSC=C1Br AK102742 [0,1,0,0,0,0|3,0,0]=4 116 B10R1.149 NC1=C(OC=C1)C(=O)OC AK-28297 [0,1,0,0,0,0|3,0,0]=4 117 B10R1.149 O=C(C1=C(Br)C=CS1)OC AK-24670 [0,1,0,0,0,0|3,0,0]=4 118 B10R1.149 O=C(C1=C(C)C=CS1)OC AK-29549 [0,1,0,0,0,0|2,0,0]=3 119 B10R1.149 O=C(C1=C(F)C=CS1)OC AK-40928 [0,1,0,0,0,0|3,0,0]=4 120 B10R1.149 O=C(C1=C(N)C=CS1)OC AK-26736 [0,1,0,0,0,0|3,0,0]=4 121 B10R1.149 O=C(C1=C(O)C=CN1)OC AK123374 [0,1,0,0,0,0|3,0,0]=4 122 B10R1.149 O=C(C1=C(O)C=CS1)OC AK-41067 [0,1,0,0,0,0|3,0,0]=4 123 B10R1.149 O=C(C1=CC=NN1C)OC AK119024 [0,1,0,0,0,0|1,0,0]=2 124 B10R1.149 O=C(C1=CNC=C1C)OC AK126219 [0,1,0,0,0,0|2,0,0]=3 125 B10R1.149 O=C(C1=NC=CN1C)OC AK139738 [0,1,0,0,0,0|1,0,0]=2 126 B10R1.192 O=C(C1=C(Br)C=NN1C)O AK124611 [0,1,0,0,0,0|2,0,0]=3 127 B10R1.192 O=C(C1=C(I)C=NN1C)O AK112051 [0,1,0,0,0,0|2,0,0]=3 128 B10R1.194 CC(C1=CNC(Br)=C1C)=O AK-25566 [0,1,0,0,0,0|2,0,0]=3 129 B10R1.194 CN1C(C)=NC=C1[N+]([O-])=O AK-44305 [0,1,0,0,0,0|3,0,0]=4 130 B10R1.194 O=C(C1=C(C)C(C)=CS1)O AK-36791 [0,1,0,0,0,0|3,0,0]=4 131 B10R1.194 O=C(C1=C(C)N(C)C=C1)O AK164868 [0,1,0,0,0,0|3,0,0]=4 132 B10R1.194 O=C(C1=CC=C(Br)N1C)O AK-36608 [0,1,0,0,0,0|1,0,0]=2 133 B10R2.32 C1=CSC2=C1CCC2=O AK-38055 [0,0,0,1,0,0|2,0,0]=3 134 B10R1.61 BrC1=C(C(=O)N)C=CN=C1 AK-29834 [0,0,0,0,0,1|3,0,0]=4 135 B10R1.61 BrC1=C(C=CN=C1)C(=O)O AK-23517 [0,0,0,0,0,1|3,0,0]=4 136 B10R1.61 BrC1=CC=CN=C1C(=O)O AK-25745 [0,0,0,0,0,1|3,0,0]=4 137 B10R1.61 C1=C(C(=NC=C1)Cl)C(N)=O AK-39181 [0,0,0,0,0,1|3,0,0]=4 138 B10R1.61 C1=C(C(=NC=C1)Cl)C(O)=O AK-27015 [0,0,0,0,0,1|3,0,0]=4 139 B10R1.61 C1=C(C(=NC=C1)F)C(O)=O AK-25163 [0,0,0,0,0,1|3,0,0]=4 140 B10R1.61 C1=CC=CC(=C1C(C)=O)Br AK-48030 [0,0,0,0,0,1|2,0,0]=3 141 B10R1.61 C1=CC=CC(=C1C(C)=O)N AK-27106 [0,0,0,0,0,1|2,0,0]=3 142 B10R1.61 C1=CC=CC(=C1C(O)=O)F AK-40433 [0,0,0,0,0,1|3,0,0]=4 143 B10R1.61 C1=CC=CC(=C1O)C(=O)C AK-44482 [0,0,0,0,0,1|2,0,0]=3 144 B10R1.61 C1=CC=NC(=C1C)C(O)=O AK-26613 [0,0,0,0,0,1|2,0,0]=3 145 B10R1.61 C1=CN=C(C(=C1)C(=O)N)F AK-25200 [0,0,0,0,0,1|3,0,0]=4 146 B10R1.61 C1=CN=CC(=C1C(=O)O)F AK-25903 [0,0,0,0,0,1|3,0,0]=4 147 B10R1.61 C1=NC=CC(=C1C(O)=O)C AK-34679 [0,0,0,0,0,1|2,0,0]=3 148 B10R1.61 CC(=O)C1=C(Br)C=NC=N1 AK-31153 [0,0,0,0,0,1|3,0,0]=4 149 B10R1.61 CC(=O)C1=C(C)N=CC=N1 AK-89662 [0,0,0,0,0,1|2,0,0]=3 150 B10R1.61 CC(=O)C1=C(I)C=CC=C1 AK-84650 [0,0,0,0,0,1|2,0,0]=3 151 B10R1.61 CC(=O)C1=CC=CN=C1F AK-36408 [0,0,0,0,0,1|2,0,0]=3 152 B10R1.61 CC(=O)C1=CC=CN=C1N AK-61895 [0,0,0,0,0,1|2,0,0]=3 153 B10R1.61 CC(=O)C1=NC=CC=C1F AK-36671 [0,0,0,0,0,1|2,0,0]=3 154 B10R1.61 CC(C1=C(O)C=NC=C1)=O AK-68365 [0,0,0,0,0,1|2,0,0]=3 155 B10R1.61 CC(C1=CC=CC=C1C)=O AK-76969 [0,0,0,0,0,1|1,0,0]=2 156 B10R1.61 CC(C1=CC=CC=C1F)=O AK-44672 [0,0,0,0,0,1|2,0,0]=3 157 B10R1.61 CC(C1=CC=CN=C1C)=O AK-60286 [0,0,0,0,0,1|1,0,0]=2 158 B10R1.61 CC(C1=NC=CC=C1Br)=O AK-91392 [0,0,0,0,0,1|2,0,0]=3 159 B10R1.61 CC(C1=NC=CC=C1Cl)=O AK128527 [0,0,0,0,0,1|2,0,0]=3 160 B10R1.61 CC(C1=NC=CC=C1O)=O AK-57786 [0,0,0,0,0,1|2,0,0]=3 161 B10R1.61 CC(N)C1=NC=CC=C1C AK670791 [0,0,0,0,0,1|2,0,1]=4 162 B10R1.61 CC1=C(C(=O)N)C=CC=N1 AK-39636 [0,0,0,0,0,1|2,0,0]=3 163 B10R1.61 CC1=C(C(=O)O)C=CC=N1 AK-25768 [0,0,0,0,0,1|2,0,0]=3 164 B10R1.61 CC1=C(C=NC=C1)[N+]([O-])=O AK104739 [0,0,0,0,0,1|3,0,0]=4 165 B10R1.61 CC1=C(C=NC=N1)C(O)=O AK-32530 [0,0,0,0,0,1|3,0,0]=4 166 B10R1.61 CC1=NC=CC=C1N(=O)=O AK-26710 [0,0,0,0,0,1|3,0,0]=4 167 B10R1.61 CC1=NC=CN=C1C(=O)O AK-25946 [0,0,0,0,0,1|3,0,0]=4 168 B10R1.61 C[C@@H](N)C1=CC=CC=C1C AK-45079 [0,0,0,0,0,1|2,0,1]=4 169 B10R1.61 C[C@H](N)C1=CC=CC=C1C AK162902 [0,0,0,0,0,1|2,0,1]=4 170 B10R1.61 ClC1=C(C(=O)O)C=CN=C1 AK-26411 [0,0,0,0,0,1|3,0,0]=4 171 B10R1.61 ClC1=CC=CN=C1C(=O)O AK-23699 [0,0,0,0,0,1|3,0,0]=4 172 B10R1.61 ClC1=CC=NC=C1C(=O)O AK-25252 [0,0,0,0,0,1|3,0,0]=4 173 B10R1.61 FC1=C(C=CN=C1)C(C)=O AK-37142 [0,0,0,0,0,1|2,0,0]=3 174 B10R1.61 FC1=C(N=CC=C1)C(=O)O AK-28801 [0,0,0,0,0,1|3,0,0]=4 175 B10R1.61 N=C(N)C1=NC=CC=C1C AK130359 [0,0,0,0,0,1|3,0,0]=4 176 B10R1.61 NC1=C(C=NC=C1)C(=O)N AK-29493 [0,0,0,0,0,1|3,0,0]=4 177 B10R1.61 NC1=C(C=NC=C1)C(O)=O AK-27731 [0,0,0,0,0,1|3,0,0]=4 178 B10R1.61 O=C(C1=NC=CC=C1N)O AK-25432 [0,0,0,0,0,1|3,0,0]=4 179 B10R1.61 O=C(C1=NC=NC=C1C)O AK140920 [0,0,0,0,0,1|3,0,0]=4 180 B10R1.61 O=C(N)C1=CC=CC=C1Br AK-47071 [0,0,0,0,0,1|3,0,0]=4 181 B10R1.61 O=C(N)C1=CC=CC=C1Cl AK128986 [0,0,0,0,0,1|3,0,0]=4 182 B10R1.61 O=C(N)C1=CC=CC=C1F AK161780 [0,0,0,0,0,1|3,0,0]=4 183 B10R1.61 O=C(N)C1=CC=CC=C1I AK115884 [0,0,0,0,0,1|3,0,0]=4 184 B10R1.61 O=C(N)C1=CC=CC=C1N AK109256 [0,0,0,0,0,1|3,0,0]=4 185 B10R1.61 O=C(N)C1=CC=NC=C1C AK-29933 [0,0,0,0,0,1|2,0,0]=3 186 B10R1.61 O=C(N)C1=CC=NC=C1N AK-77290 [0,0,0,0,0,1|3,0,0]=4 187 B10R1.61 O=C(N)C1=NC=CC=C1C AK-48603 [0,0,0,0,0,1|2,0,0]=3 188 B10R1.61 O=C(N)C1=NC=CC=C1N AK-35369 [0,0,0,0,0,1|3,0,0]=4 189 B10R1.61 O=C(O)C1=C(N)N=CC=C1 AK-26982 [0,0,0,0,0,1|3,0,0]=4 190 B10R1.61 O=C(O)C1=C(S)N=CC=C1 AK-48961 [0,0,0,0,0,1|3,0,0]=4 191 B10R1.61 O=C(O)C1=CC=CC=C1Br AK-77301 [0,0,0,0,0,1|3,0,0]=4 192 B10R1.61 O=C(O)C1=CC=CC=C1C AK116916 [0,0,0,0,0,1|2,0,0]=3 193 B10R1.61 O=C(O)C1=CC=CC=C1Cl AK-44481 [0,0,0,0,0,1|3,0,0]=4 194 B10R1.61 O=C(O)C1=CC=CC=C1I AK-73132 [0,0,0,0,0,1|3,0,0]=4 195 B10R1.61 O=C(O)C1=CC=NC=C1C AK-30383 [0,0,0,0,0,1|2,0,0]=3 196 B10R1.61 O=C(O)C1=CC=NC=C1N AK-23678 [0,0,0,0,0,1|3,0,0]=4 197 B10R1.61 O=C(O)C1=CC=NC=C1O AK-23523 [0,0,0,0,0,1|3,0,0]=4 198 B10R1.61 O=C(O)C1=CN=CC=C1Br AK-25100 [0,0,0,0,0,1|3,0,0]=4 199 B10R1.61 O=C(O)C1=CN=CC=C1C AK-75600 [0,0,0,0,0,1|2,0,0]=3 200 B10R1.61 O=C(O)C1=NC=CC=C1I AK-29488 [0,0,0,0,0,1|3,0,0]=4 201 B10R1.61 O=C(O)C1=NC=CC=C1O AK-26380 [0,0,0,0,0,1|3,0,0]=4 202 B10R1.61 O=C1C(=CC=CN1)C(O)=O AK-47329 [0,0,0,0,0,1|3,0,0]=4 203 B10R1.61 O=C1C(=CNC=C1)C(=O)O AK-26174 [0,0,0,0,0,1|3,0,0]=4 204 B10R1.61 O=C1C(C(C)=O)=CC=CN1 AK-35911 [0,0,0,0,0,1|2,0,0]=3 205 B10R1.61 O=C1C(C(C)=O)=CNC=C1 AK501394 [0,0,0,0,0,1|2,0,0]=3 206 B10R1.61 O=[N+](C1=C(C)C=CN=C1)[O-] AK-28081 [0,0,0,0,0,1|3,0,0]=4 207 B10R1.61 O=[N+](C1=CC=CN=C1C)[O-] AK-23642 [0,0,0,0,0,1|3,0,0]=4 208 B10R1.61 OC(=O)C1=CC=CN=C1Br AK-25846 [0,0,0,0,0,1|3,0,0]=4 209 B10R1.61 OC1=CC=CC=C1C(N)=O AK-81394 [0,0,0,0,0,1|3,0,0]=4 210 B10R1.61 OC1=CC=CC=C1C(O)=O AK397674 [0,0,0,0,0,1|3,0,0]=4 211 B10R1.64 O=C(SC1=C(C)OC=C1)O AK307418 [0,0,0,0,0,1|3,0,0]=4 212 B10R1.113 C(C)(=O)C1=CC(=CN=C1)Br AK-25899 [0,0,0,0,0,1|3,0,0]=4 213 B10R1.113 C(C)(=O)C1=CC(=NC=C1)C AK-26955 [0,0,0,0,0,1|2,0,0]=3 214 B10R1.113 C(C)(=O)C1=NC(=CC=C1)Br AK-30565 [0,0,0,0,0,1|2,0,0]=3 215 B10R1.113 C1=C(C(C)=O)C=C(C=C1)O AK-46681 [0,0,0,0,0,1|2,0,0]=3 216 B10R1.113 C1=C(C=CC=C1Cl)C(O)=O AK-43975 [0,0,0,0,0,1|3,0,0]=4 217 B10R1.113 C1=C(C=CC=C1F)C(O)=O AK-53854 [0,0,0,0,0,1|3,0,0]=4 218 B10R1.113 C1=C(C=NC=C1C)C(O)=O AK-23837 [0,0,0,0,0,1|3,0,0]=4 219 B10R1.113 C1=CC=C(F)N=C1C(=O)O AK-30385 [0,0,0,0,0,1|3,0,0]=4 220 B10R1.113 C1=CC=C(N=C1C(O)=O)C AK-27736 [0,0,0,0,0,1|2,0,0]=3 221 B10R1.113 C1=NC=C(N=C1C(=O)O)C AK-26120 [0,0,0,0,0,1|3,0,0]=4 222 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 AK-34279 [0,0,0,0,0,1|3,0,0]=4 223 B10R1.113 CC(=O)C1=CC=NC(Cl)=N1 AK100632 [0,0,0,0,0,1|3,0,0]=4 224 B10R1.113 CC(C1=CC(F)=CN=C1)=O AK101043 [0,0,0,0,0,1|3,0,0]=4 225 B10R1.113 CC(C1=CC(N)=NC=C1)=O AK134215 [0,0,0,0,0,1|3,0,0]=4 226 B10R1.113 CC(C1=CC=CC(Br)=C1)=O AK-44590 [0,0,0,0,0,1|2,0,0]=3 227 B10R1.113 CC(C1=CC=CC(C)=C1)=O AK143347 [0,0,0,0,0,1|1,0,0]=2 228 B10R1.113 CC(C1=NC(Cl)=CC=C1)=O AK-29671 [0,0,0,0,0,1|2,0,0]=3 229 B10R1.113 CC(C1=NC(F)=CC=C1)=O AK-74181 [0,0,0,0,0,1|2,0,0]=3 230 B10R1.113 CC(C1=NC=CC(C)=C1)=O AK-61872 [0,0,0,0,0,1|2,0,0]=3 231 B10R1.113 CC(C1=NC=CC(Cl)=C1)=O AK-30041 [0,0,0,0,0,1|3,0,0]=4 232 B10R1.113 CC(C1=NC=NC(C)=C1)=O AK-78932 [0,0,0,0,0,1|3,0,0]=4 233 B10R1.113 CC(N)C1=CC=CC(C)=C1 AK-95787 [0,0,0,0,0,1|2,0,1]=4 234 B10R1.113 CC1=CC=CC(=C1)C(N)=N AK-45199 [0,0,0,0,0,1|3,0,0]=4 235 B10R1.113 CC1=CC=CC(C(C)=O)=N1 AK-30134 [0,0,0,0,0,1|1,0,0]=2 236 B10R1.113 CC1=CC=NC(=C1)C(=O)O AK-30381 [0,0,0,0,0,1|3,0,0]=4 237 B10R1.113 CC1=CC=NC(=N1)C(O)=O AK-36910 [0,0,0,0,0,1|3,0,0]=4 238 B10R1.113 CC1=NC=CC(=N1)C(=O)O AK-23648 [0,0,0,0,0,1|3,0,0]=4 239 B10R1.113 C[C@@H](N)C1=CC=CC(C)=C1 AK-45077 [0,0,0,0,0,1|2,0,1]=4 240 B10R1.113 C[C@@H](N)C1=CC=CC(C)=C1 AK133442 [0,0,0,0,0,1|2,0,1]=4 241 B10R1.113 NC1=CC(C(C)=O)=CC=C1 AK-83273 [0,0,0,0,0,1|2,0,0]=3 242 B10R1.113 O=C(C1=CC=CC(Cl)=N1)O AK-26005 [0,0,0,0,0,1|3,0,0]=4 243 B10R1.113 O=C(C1=CC=CC(N1)=O)O AK-25557 [0,0,0,0,0,1|3,0,0]=4 244 B10R1.113 O=C(N)C1=CC=CC(Br)=C1 AK-61366 [0,0,0,0,0,1|3,0,0]=4 245 B10R1.113 O=C(O)C1=CC=CC(Br)=C1 AK-77039 [0,0,0,0,0,1|3,0,0]=4 246 B10R1.113 O=C(O)C1=CC=CC(C)=C1 AK116994 [0,0,0,0,0,1|2,0,0]=3 247 B10R1.113 O=C(O)C1=CC=CC(I)=C1 AK-40488 [0,0,0,0,0,1|3,0,0]=4 248 B10R1.113 O=C(O)C1=CC=CC(N)=C1 AK-41177 [0,0,0,0,0,1|3,0,0]=4 249 B10R1.113 O=C(O)C1=CC=CC(O)=C1 AK-50288 [0,0,0,0,0,1|3,0,0]=4 250 B10R1.113 O=C(O)C1=CC=NC(C)=C1 AK-23516 [0,0,0,0,0,1|3,0,0]=4 251 B10R1.113 OC(=O)C1=NC(Br)=CC=C1 AK-25597 [0,0,0,0,0,1|3,0,0]=4 252 B7R0.4 C\C=C\C=C\C([O-])=O AK-47286 [1,0,1,0,0,0|1,0,0]=3 253 B7R1.1 C1=C(N=CS1)C=O AK-23930 [2,0,0,0,0,0|1,0,1]=4 254 B7R1.1 C1=C(SC=C1)C=O AK-26482 [2,0,0,0,0,0|1,0,0]=3 255 B7R1.1 C1=C([NH]C=N1)C=O AK-41612 [2,0,0,0,0,0|1,0,0]=3 256 B7R1.1 C1=CN=C(C=O)[NH]1 AK-49186 [2,0,0,0,0,0|1,0,0]=3 257 B7R1.1 C1=CSC(=N1)C=O AK-46309 [2,0,0,0,0,0|1,0,1]=4 258 B7R1.1 CCC1=CC=CS1 AK-76635 [2,0,0,0,0,0|1,0,1]=4 259 B7R1.1 CCC1=NC=CN1 AK161825 [2,0,0,0,0,0|1,0,1]=4 260 B7R1.1 COC1=CC=CS1 AK-60885 [2,0,0,0,0,0|2,0,0]=4 261 B7R1.1 NCC1=CC=CN1 AK-39872 [2,0,0,0,0,0|1,0,1]=4 262 B7R1.1 O=CC1=CC=CN1 AK-25235 [2,0,0,0,0,0|0,0,0]=2 263 B7R1.1 O=CC1=CN=CS1 AK-39378 [2,0,0,0,0,0|2,0,0]=4 264 B7R1.1 O=CC1=CNC=C1 AK-36182 [2,0,0,0,0,0|2,0,0]=4 265 B7R1.1 O=CC1=CSC=C1 AK-42964 [2,0,0,0,0,0|2,0,0]=4 266 B7R1.1 [NH]1C=CC(=N1)C=O AK-25900 [2,0,0,0,0,0|1,0,1]=4 267 B7R1.4 BrC1=CC=N[N]1C AK-34841 [2,0,0,0,0,0|2,0,0]=4 268 B7R1.4 C1=C(N)[N](C)N=C1 AK-23556 [2,0,0,0,0,0|2,0,0]=4 269 B7R1.4 CC1=CC=NN1C AK-36127 [2,0,0,0,0,0|1,0,0]=3 270 B7R1.4 CC1=CSC=C1C AK-45919 [2,0,0,0,0,0|2,0,0]=4 271 B7R1.4 CN1C(I)=CN=C1 AK-36203 [2,0,0,0,0,0|2,0,0]=4 272 B7R1.4 CN1C=CN=C1C AK-60401 [2,0,0,0,0,0|1,0,0]=3 273 B7R1.4 CN1C=CN=C1Cl AK-79282 [2,0,0,0,0,0|2,0,0]=4 274 B7R1.4 CN1C=CN=C1I AK-34893 [2,0,0,0,0,0|2,0,0]=4 275 B7R1.4 CN1C=NC=C1Br AK-32615 [2,0,0,0,0,0|2,0,0]=4 276 B7R1.4 IC1=CC=N[N]1C AK-34754 [2,0,0,0,0,0|2,0,0]=4 277 B7R1.4 NC1=CN=CN1C AK128338 [2,0,0,0,0,0|2,0,0]=4 278 B7R1.4 NC1=NC=CN1C AK-36047 [2,0,0,0,0,0|2,0,0]=4 279 B7R1.4 NC1=NC=CN1C AK125047 [2,0,0,0,0,0|2,0,0]=4 280 B7R1.4 O=C1CC=NN1C AK128438 [2,0,0,0,0,0|1,0,1]=4 281 B7R1.4 O=C1N(C)NC=C1 AK113037 [2,0,0,0,0,0|1,0,0]=3 282 B7R1.4 O=C1N(C)SC=C1 AK682465 [2,0,0,0,0,0|1,0,0]=3 283 B7R1.4 O=C1NC=CN1C AK317267 [2,0,0,0,0,0|1,0,0]=3 284 B7R1.4 OC1=CC=N[N]1C AK-39760 [2,0,0,0,0,0|1,0,1]=4 285 B9R1.11 BrCC(=O)C1=CC=CS1 AK-53454 [1,1,0,0,0,0|1,0,0]=3 286 B9R1.11 BrCC(C1=NC=CS1)=O AK-45640 [1,1,0,0,0,0|1,0,1]=4 287 B9R1.11 C1=C(C(=O)OC)SC=N1 AK-29865 [1,1,0,0,0,0|2,0,0]=4 288 B9R1.11 CCC(C1=NC=CS1)=O AK113134 [1,1,0,0,0,0|1,0,1]=4 289 B9R1.11 COC(=O)C1=CNC=C1 AK-39320 [1,1,0,0,0,0|2,0,0]=4 290 B9R1.11 COC(=O)C1=COC=N1 AK100835 [1,1,0,0,0,0|1,0,1]=4 291 B9R1.11 COC(=O)C1=NC=CO1 AK109950 [1,1,0,0,0,0|1,0,1]=4 292 B9R1.11 O=C(C1=CC=CN1)OC AK-27729 [1,1,0,0,0,0|0,0,0]=2 293 B9R1.11 O=C(C1=CC=CS1)OC AK-48323 [1,1,0,0,0,0|1,0,0]=3 294 B9R1.11 O=C(C1=CN=CN1)OC AK-25496 [1,1,0,0,0,0|1,0,0]=3 295 B9R1.11 O=C(C1=CN=CN1)OC AK-40808 [1,1,0,0,0,0|1,0,0]=3 296 B9R1.11 O=C(C1=CSC=C1)OC AK-48045 [1,1,0,0,0,0|2,0,0]=4 297 B9R1.11 O=C(C1=CSC=N1)OC AK-21853 [1,1,0,0,0,0|1,0,1]=4 298 B9R1.11 O=C(C1=NC=CN1)OC AK-59662 [1,1,0,0,0,0|1,0,0]=3 299 B9R1.11 O=C(C1=NC=CS1)OC AK-50497 [1,1,0,0,0,0|1,0,1]=4 300 B9R1.11 O=C(C1=NNC=C1)OC AK-31981 [1,1,0,0,0,0|1,0,1]=4 301 B9R1.35 BrC1=CC(=CS1)C(C)=O AK-35777 [1,1,0,0,0,0|2,0,0]=4 302 B9R1.35 C1=C(N=C(S1)N)C(=O)C AK-54799 [1,1,0,0,0,0|1,0,1]=4 303 B9R1.35 C1=C(OC(=C1)Br)C(O)=O AK-35759 [1,1,0,0,0,0|2,0,0]=4 304 B9R1.35 C1=C(OC(=C1)C)C(O)=O AK-44799 [1,1,0,0,0,0|2,0,0]=4 305 B9R1.35 C1=C(SC(=C1)C(O)=O)Cl AK-29045 [1,1,0,0,0,0|2,0,0]=4 306 B9R1.35 C1=C(SC(=C1)C)C(=O)C AK-33183 [1,1,0,0,0,0|1,0,0]=3 307 B9R1.35 C1=C(SC(=C1)Cl)C(C)=O AK-47623 [1,1,0,0,0,0|1,0,0]=3 308 B9R1.35 CC(=O)C1=CC=C(C)O1 AK-77189 [1,1,0,0,0,0|1,0,0]=3 309 B9R1.35 CC(=O)C1=NC(C)=CO1 AK-80747 [1,1,0,0,0,0|1,0,1]=4 310 B9R1.35 CC(=O)C1=NOC(C)=C1 AK-47045 [1,1,0,0,0,0|1,0,1]=4 311 B9R1.35 CC(C1=CC(Cl)=CS1)=O AK-77338 [1,1,0,0,0,0|1,0,0]=3 312 B9R1.35 CC1=CC=C(N1)C(O)=O AK100045 [1,1,0,0,0,0|1,0,0]=3 313 B9R1.35 O=C(C1=CC(Br)=CN1)N AK106602 [1,1,0,0,0,0|1,0,0]=3 314 B9R1.35 O=C(C1=CC(Br)=CO1)N AK120768 [1,1,0,0,0,0|2,0,0]=4 315 B9R1.35 O=C(C1=CC(Br)=CS1)N AK-90412 [1,1,0,0,0,0|2,0,0]=4 316 B9R1.35 O=C(C1=CC(Br)=CS1)O AK-24697 [1,1,0,0,0,0|2,0,0]=4 317 B9R1.35 O=C(C1=CC=C(Br)S1)O AK-26297 [1,1,0,0,0,0|2,0,0]=4 318 B9R1.35 O=C(C1=CC=C(C)S1)O AK-25546 [1,1,0,0,0,0|2,0,0]=4 319 B9R1.35 O=C(C1=CC=C(Cl)O1)O AK-94156 [1,1,0,0,0,0|2,0,0]=4 320 B9R1.35 O=C(C1=CC=C(F)S1)O AK-35162 [1,1,0,0,0,0|2,0,0]=4 321 B9R1.35 O=C(C1=CC=C(I)S1)O AK113691 [1,1,0,0,0,0|2,0,0]=4 322 B9R1.35 O=C(C1=NC(C)=CN1)O AK-29453 [1,1,0,0,0,0|2,0,0]=4 323 B9R1.35 O=C(Cl)C1=CC=C(Cl)S1 AK-48243 [1,1,0,0,0,0|2,0,0]=4 324 B9R1.35 O=C(O)C1=CC(Br)=CO1 AK-41331 [1,1,0,0,0,0|2,0,0]=4 325 B9R1.35 O=C1NN(C(C)=O)C=C1 AK676222 [1,1,0,0,0,0|1,0,0]=3 326 B9R1.35 OC(=O)C1=CC(Br)=CN1 AK-27737 [1,1,0,0,0,0|1,0,0]=3 327 B9R1.35 OC(=O)C1=CC(Cl)=CS1 AK-89071 [1,1,0,0,0,0|2,0,0]=4 328 B9R1.35 OC(=O)C1=CC(F)=CS1 AK-29152 [1,1,0,0,0,0|2,0,0]=4 329 B9R1.35 OC(=O)C1=CC=C(Br)N1 AK100216 [1,1,0,0,0,0|1,0,0]=3 330 B9R1.35 OC(=O)C1=CNC(=O)N1 AK-68699 [1,1,0,0,0,0|2,0,0]=4 331 B9R1.14 O=CC1=C(OC)C=CO1 AK320838 [1,1,0,0,0,0|2,0,0]=4 332 B9R1.14 O=CC1=CN=CN1CC AK310500 [1,1,0,0,0,0|1,0,0]=3 333 B9R1.14 O=CC1=NC=CN1CC AK-41483 [1,1,0,0,0,0|1,0,0]=3 334 B9R1.22 O=CC1=C(C)C=C(C)N1 AK-34150 [1,1,0,0,0,0|2,0,0]=4 335 B9R1.22 O=CC1=C(C)SC(C)=C1 AK142164 [1,1,0,0,0,0|2,0,0]=4 336 B9R1.22 O=CC1=CC(C)=NN1C AK-29932 [1,1,0,0,0,0|1,0,0]=3 337 B9R1.27 CN1N=CC(I)=C1C=O AK-88342 [1,1,0,0,0,0|1,0,0]=3 338 B9R1.27 O=CC1=C(C)N=CN1C AK158521 [1,1,0,0,0,0|1,0,0]=3 339 B11R1.53 C1=CC=CC(=C1C#N)C(C)=O AK-50565 [0,1,0,0,0,1|1,0,1]=4 340 B11R1.53 C1=CC=CC(=C1CCl)C(O)=O AK-44122 [0,1,0,0,0,1|2,0,0]=4 341 B11R1.53 CC(C1=CC=CC=C1NC)=O AK135397 [0,1,0,0,0,1|1,0,0]=3 342 B11R1.53 CCC1=C(N=CC=N1)C(C)=O AK-89658 [0,1,0,0,0,1|2,0,0]=4 343 B11R1.53 CCC1=NC=CC=C1C(O)=O AK111206 [0,1,0,0,0,1|2,0,0]=4 344 B11R1.53 COC1=C(C(=O)O)C=CN=C1 AK-30272 [0,1,0,0,0,1|2,0,0]=4 345 B11R1.53 COC1=C(C=CN=C1)C(C)=O AK-99909 [0,1,0,0,0,1|1,0,0]=3 346 B11R1.53 COC1=CC=CN=C1C(=O)O AK-63990 [0,1,0,0,0,1|2,0,0]=4 347 B11R1.53 COC1=CC=CN=C1C(C)=O AK-80679 [0,1,0,0,0,1|1,0,0]=3 348 B11R1.53 COC1=NC=CC=C1C(C)=O AK110016 [0,1,0,0,0,1|1,0,0]=3 349 B11R1.53 O=C(O)C1=C(OC)N=CC=C1 AK-45121 [0,1,0,0,0,1|2,0,0]=4 350 B11R1.53 O=C(O)C1=CC=CC=C1CC AK-77452 [0,1,0,0,0,1|2,0,0]=4 351 B11R1.53 O=C(O)C1=CC=CC=C1CO AK-35845 [0,1,0,0,0,1|2,0,0]=4 352 B11R1.53 O=C(O)C1=CC=CC=C1OC AK-77451 [0,1,0,0,0,1|2,0,0]=4 353 B11R1.53 O=C(O)C1=CN=CC=C1CC AK452545 [0,1,0,0,0,1|2,0,0]=4 354 B11R1.156 BrC1=C(C(=O)O)C(=CC=C1)C AK-29573 [0,1,0,0,0,1|2,0,0]=4 355 B11R1.156 C1=C(C(=C(C=C1)Cl)C(O)=O)C AK-24771 [0,1,0,0,0,1|2,0,0]=4 356 B11R1.156 C1=CC(=C(C(=O)O)C(=C1)C)O AK-35673 [0,1,0,0,0,1|2,0,0]=4 357 B11R1.156 CC(=O)C1=C(C)C=CC=C1C AK110169 [0,1,0,0,0,1|1,0,0]=3 358 B11R1.156 CC(=O)C1=C(N)C=CC=C1Br AK-99977 [0,1,0,0,0,1|2,0,0]=4 359 B11R1.156 CC(C1=C(C)C=CC=C1O)=O AK-64408 [0,1,0,0,0,1|1,0,0]=3 360 B11R1.156 CC(C1=C(Cl)C=CC=C1Cl)=O AK-51041 [0,1,0,0,0,1|2,0,0]=4 361 B11R1.156 CC(C1=C(F)C=CC=C1Br)=O AK-31670 [0,1,0,0,0,1|2,0,0]=4 362 B11R1.156 CC(C1=C(F)C=CC=C1Cl)=O AK-77336 [0,1,0,0,0,1|2,0,0]=4 363 B11R1.156 CC(C1=C(F)C=CC=C1F)=O AK-33179 [0,1,0,0,0,1|2,0,0]=4 364 B11R1.156 CC(C1=C(F)C=CC=C1N)=O AK145194 [0,1,0,0,0,1|2,0,0]=4 365 B11R1.156 CC(C1=C(O)C=CC=C1Br)=O AK-31671 [0,1,0,0,0,1|2,0,0]=4 366 B11R1.156 CC(C1=C(O)C=CC=C1Cl)=O AK-29397 [0,1,0,0,0,1|2,0,0]=4 367 B11R1.156 CC(C1=C(O)C=CC=C1F)=O AK-86499 [0,1,0,0,0,1|2,0,0]=4 368 B11R1.156 CC(C1=C(O)C=CC=C1O)=O AK-47368 [0,1,0,0,0,1|2,0,0]=4 369 B11R1.156 FC1=C(C(=O)O)C(=CC=C1)C AK-23633 [0,1,0,0,0,1|2,0,0]=4 370 B11R1.156 O=C(N)C1=C(C)C=CC=C1F AK145173 [0,1,0,0,0,1|2,0,0]=4 371 B11R1.156 O=C(O)C1=C(C)C=CC=C1C AK-26211 [0,1,0,0,0,1|2,0,0]=4 372 B11R1.156 O=C(O)C1=C(C)C=CC=C1N AK-35168 [0,1,0,0,0,1|2,0,0]=4 373 B11R1.156 O=C(O)C1=C(C)C=NC=C1F AK100803 [0,1,0,0,0,1|2,0,0]=4 374 B11R1.159 BrC1=CC=CC(=C1F)C(C)=O AK-33547 [0,1,0,0,0,1|2,0,0]=4 375 B11R1.159 C1=C(C(=C(C=C1)F)C)C(O)=O AK-26272 [0,1,0,0,0,1|2,0,0]=4 376 B11R1.159 C1=CC=C(C(=C1C(O)=O)C)C AK-26167 [0,1,0,0,0,1|2,0,0]=4 377 B11R1.159 C1=CC=C(C(=C1C(O)=O)C)Cl AK-29499 [0,1,0,0,0,1|2,0,0]=4 378 B11R1.159 CC(C1=CC=CC(Br)=C1O)=O AK-33819 [0,1,0,0,0,1|2,0,0]=4 379 B11R1.159 CC(C1=CC=CC(C)=C1F)=O AK327202 [0,1,0,0,0,1|2,0,0]=4 380 B11R1.159 CC(C1=CC=CC(Cl)=C1Cl)=O AK-75733 [0,1,0,0,0,1|2,0,0]=4 381 B11R1.159 CC(C1=CC=CC(Cl)=C1O)=O AK-34682 [0,1,0,0,0,1|2,0,0]=4 382 B11R1.159 CC(C1=CC=CC(F)=C1Br)=O AK145989 [0,1,0,0,0,1|2,0,0]=4 383 B11R1.159 CC(C1=CC=CC(F)=C1Cl)=O AK-94336 [0,1,0,0,0,1|2,0,0]=4 384 B11R1.159 CC(C1=CC=CC(N)=C1O)=O AK-26283 [0,1,0,0,0,1|2,0,0]=4 385 B11R1.159 CC(C1=CC=CC(O)=C1N)=O AK-80116 [0,1,0,0,0,1|2,0,0]=4 386 B11R1.159 CC(C1=CC=CC(O)=C1O)=O AK-33157 [0,1,0,0,0,1|2,0,0]=4 387 B11R1.159 CC1=C(O)C=CC=C1C(O)=O AK-45470 [0,1,0,0,0,1|2,0,0]=4 388 B11R1.159 CN1C(=O)C=CC=C1C(O)=O AK-84571 [0,1,0,0,0,1|1,0,0]=3 389 B11R1.159 O=C(C1=CC=CC(N1O)=O)O AK-88861 [0,1,0,0,0,1|2,0,0]=4 390 B11R1.159 O=C(O)C1=CC=CC(Br)=C1C AK-27090 [0,1,0,0,0,1|2,0,0]=4 391 B11R1.159 O=C(O)C1=CC=CC(N)=C1C AK-45495 [0,1,0,0,0,1|2,0,0]=4 392 B11R1.159 O=C(O)C1=CC=NC(Cl)=C1C AK-81020 [0,1,0,0,0,1|2,0,0]=4 393 B11R1.166 BrC1=CN=C(C(=C1)C)C(=O)O AK-26400 [0,1,0,0,0,1|2,0,0]=4 394 B11R1.166 C1=C(C(=CC=C1Cl)C(C)=O)Cl AK-47301 [0,1,0,0,0,1|2,0,0]=4 395 B11R1.166 C1=C(C(=CC=C1N)C(=O)O)C AK-27038 [0,1,0,0,0,1|2,0,0]=4 396 B11R1.166 C1=CC(=CC(=C1C(C)=O)F)F AK-46615 [0,1,0,0,0,1|2,0,0]=4 397 B11R1.166 C1=CC(=CC(=C1C(C)=O)F)O AK-49094 [0,1,0,0,0,1|2,0,0]=4 398 B11R1.166 C1=CC(=CC(=C1C(O)=O)C)Br AK-26260 [0,1,0,0,0,1|2,0,0]=4 399 B11R1.166 C1=CC(=CC(=C1C(O)=O)C)C AK-47303 [0,1,0,0,0,1|2,0,0]=4 400 B11R1.166 C1=CC(=CC(=C1C(O)=O)C)Cl AK-32606 [0,1,0,0,0,1|2,0,0]=4 401 B11R1.166 CC(=O)C1=C(N)C=C(C)C=C1 AK-75553 [0,1,0,0,0,1|2,0,0]=4 402 B11R1.166 CC(C1=CC=C(Br)C=C1Cl)=O AK-77175 [0,1,0,0,0,1|2,0,0]=4 403 B11R1.166 CC(C1=CC=C(Br)C=C1F)=O AK-46535 [0,1,0,0,0,1|2,0,0]=4 404 B11R1.166 CC(C1=CC=C(Br)C=C1N)=O AK-38008 [0,1,0,0,0,1|2,0,0]=4 405 B11R1.166 CC(C1=CC=C(Br)C=C1O)=O AK-40002 [0,1,0,0,0,1|2,0,0]=4 406 B11R1.166 CC(C1=CC=C(C)C=C1F)=O AK115609 [0,1,0,0,0,1|2,0,0]=4 407 B11R1.166 CC(C1=CC=C(Cl)C=C1Br)=O AK-75637 [0,1,0,0,0,1|2,0,0]=4 408 B11R1.166 CC(C1=CC=C(Cl)N=C1Cl)=O AK-49093 [0,1,0,0,0,1|2,0,0]=4 409 B11R1.166 CC(C1=CC=C(F)C=C1Cl)=O AK-53695 [0,1,0,0,0,1|2,0,0]=4 410 B11R1.166 CC(C1=CC=C(O)C=C1Br)=O AK-75734 [0,1,0,0,0,1|2,0,0]=4 411 B11R1.166 CC(C1=CC=C(O)C=C1C)=O AK-50197 [0,1,0,0,0,1|1,0,0]=3 412 B11R1.166 CC(C1=CC=C(O)C=C1Cl)=O AK-36102 [0,1,0,0,0,1|2,0,0]=4 413 B11R1.166 CC(C1=CC=C(O)C=C1O)=O AK-50224 [0,1,0,0,0,1|2,0,0]=4 414 B11R1.166 CC1=C(C=NC(Cl)=C1)C(O)=O AK-42673 [0,1,0,0,0,1|2,0,0]=4 415 B11R1.166 ClC1=CC(=C(C=C1)C(C)=O)F AK-46375 [0,1,0,0,0,1|2,0,0]=4 416 B11R1.166 ClC1=CN=C(C(=C1)C)C(=O)O AK-29698 [0,1,0,0,0,1|2,0,0]=4 417 B11R1.166 FC1=NC(=C(C(=O)O)C=C1)C AK-30364 [0,1,0,0,0,1|2,0,0]=4 418 B11R1.166 NC1=CC(=C(C=C1)C(C)=O)O AK-34336 [0,1,0,0,0,1|2,0,0]=4 419 B11R1.166 O=C(O)C1=C(C)N=C(Br)C=C1 AK144236 [0,1,0,0,0,1|2,0,0]=4 420 B11R1.166 O=C(O)C1=C(C)N=C(Cl)C=C1 AK-58691 [0,1,0,0,0,1|2,0,0]=4 421 B11R1.166 O=C(O)C1=CC=C(F)C=C1C AK-34672 [0,1,0,0,0,1|2,0,0]=4 422 B11R1.166 O=C(O)C1=CC=C(O)C=C1C AK-40693 [0,1,0,0,0,1|2,0,0]=4 423 B11R1.166 O=C(O)C1=CN=C(C)C=C1C AK-29000 [0,1,0,0,0,1|2,0,0]=4 424 B11R1.166 O=C(O)C1=CN=C(F)C=C1C AK123501 [0,1,0,0,0,1|2,0,0]=4 425 B11R1.166 O=C(O)C1=CN=C(N)C=C1C AK-68341 [0,1,0,0,0,1|2,0,0]=4 426 B11R1.167 C1=C(Br)C=CC(=C1C(=O)C)O AK-47862 [0,1,0,0,0,1|2,0,0]=4 427 B11R1.167 C1=C(C(=CC=C1Br)C)C(O)=O AK-26338 [0,1,0,0,0,1|2,0,0]=4 428 B11R1.167 C1=C(C(=CC=C1Cl)C)C(O)=O AK-32605 [0,1,0,0,0,1|2,0,0]=4 429 B11R1.167 C1=C(C(=CC=C1O)C)C(=O)O AK-40532 [0,1,0,0,0,1|2,0,0]=4 430 B11R1.167 C1=C(C)C=CC(=C1C(O)=O)C AK-48911 [0,1,0,0,0,1|2,0,0]=4 431 B11R1.167 C1=C(Cl)C=CC(=C1C(C)=O)Cl AK-73074 [0,1,0,0,0,1|2,0,0]=4 432 B11R1.167 CC(=O)C1=C(F)C=CC(N)=C1 AK-68014 [0,1,0,0,0,1|2,0,0]=4 433 B11R1.167 CC(=O)C1=C(N)C=CC(Cl)=C1 AK-28102 [0,1,0,0,0,1|2,0,0]=4 434 B11R1.167 CC(=O)C1=C(N)C=CC(F)=C1 AK109676 [0,1,0,0,0,1|2,0,0]=4 435 B11R1.167 CC(=O)C1=C(O)C=CC(C)=C1 AK-30761 [0,1,0,0,0,1|2,0,0]=4 436 B11R1.167 CC(=O)C1=C(O)C=CC(Cl)=C1 AK-30762 [0,1,0,0,0,1|2,0,0]=4 437 B11R1.167 CC(C1=C(C=CC(=C1)F)Cl)=O AK-48949 [0,1,0,0,0,1|2,0,0]=4 438 B11R1.167 CC(C1=CC(Br)=CC=C1C)=O AK147547 [0,1,0,0,0,1|1,0,0]=3 439 B11R1.167 CC(C1=CC(Br)=CC=C1Cl)=O AK109534 [0,1,0,0,0,1|2,0,0]=4 440 B11R1.167 CC(C1=CC(Br)=CC=C1F)=O AK-28059 [0,1,0,0,0,1|2,0,0]=4 441 B11R1.167 CC(C1=CC(Br)=CC=C1N)=O AK-28616 [0,1,0,0,0,1|2,0,0]=4 442 B11R1.167 CC(C1=CC(Br)=CN=C1F)=O AK-30697 [0,1,0,0,0,1|2,0,0]=4 443 B11R1.167 CC(C1=CC(Cl)=CC=C1Br)=O AK-51654 [0,1,0,0,0,1|2,0,0]=4 444 B11R1.167 CC(C1=CC(Cl)=CC=C1F)=O AK-76691 [0,1,0,0,0,1|2,0,0]=4 445 B11R1.167 CC(C1=CC(F)=CC=C1Br)=O AK-45663 [0,1,0,0,0,1|2,0,0]=4 446 B11R1.167 CC(C1=CC(F)=CC=C1I)=O AK136027 [0,1,0,0,0,1|2,0,0]=4 447 B11R1.167 CC(C1=CC(F)=CC=C1O)=O AK-45396 [0,1,0,0,0,1|2,0,0]=4 448 B11R1.167 CC(C1=CC(N)=CC=C1O)=O AK116395 [0,1,0,0,0,1|2,0,0]=4 449 B11R1.167 CC(C1=CC(O)=CC=C1O)=O AK-51301 [0,1,0,0,0,1|2,0,0]=4 450 B11R1.167 CC(C1=NC(Br)=CC=C1F)=O AK372267 [0,1,0,0,0,1|2,0,0]=4 451 B11R1.167 CC(C1=NC(Cl)=NC=C1C)=O AK-92912 [0,1,0,0,0,1|2,0,0]=4 452 B11R1.167 CC1=CC=C(C)C(=N1)C(O)=O AK-76881 [0,1,0,0,0,1|2,0,0]=4 453 B11R1.167 IC1=CC(=C(C=C1)C)C(=O)O AK-23836 [0,1,0,0,0,1|2,0,0]=4 454 B11R1.167 NC1=CC(=C(C=C1)C)C(=O)O AK-24895 [0,1,0,0,0,1|2,0,0]=4 455 B11R1.167 O=C(C1=CC(Cl)=CN=C1C)O AK-41038 [0,1,0,0,0,1|2,0,0]=4 456 B11R1.167 O=C(O)C1=CC(F)=CC=C1C AK-34724 [0,1,0,0,0,1|2,0,0]=4 457 B11R1.167 O=C(O)C1=NC(Cl)=CC=C1C AK-47252 [0,1,0,0,0,1|2,0,0]=4 458 B11R1.167 O=C(O)C1=NC(O)=CC=C1C AK-68364 [0,1,0,0,0,1|2,0,0]=4 459 B11R1.222 C1=C(C(=O)OC)C(=NC=C1)F AK-25162 [0,1,0,0,0,1|2,0,0]=4 460 B11R1.222 C1=CC=CC(=C1C(OC)=O)Br AK-72980 [0,1,0,0,0,1|2,0,0]=4 461 B11R1.222 C1=CC=NC(=C1C(OC)=O)Cl AK-44999 [0,1,0,0,0,1|2,0,0]=4 462 B11R1.222 C1=CC=NC(=C1C(OC)=O)N AK-27747 [0,1,0,0,0,1|2,0,0]=4 463 B11R1.222 CC1=C(C(=O)OC)C=CC=N1 AK-27990 [0,1,0,0,0,1|1,0,0]=3 464 B11R1.222 CCC(C1=CC=CC=C1Cl)=O AK-86142 [0,1,0,0,0,1|2,0,0]=4 465 B11R1.222 COC(=O)C1=C(C)N=CC=N1 AK-97091 [0,1,0,0,0,1|2,0,0]=4 466 B11R1.222 COC(=O)C1=C(C=NC=C1)I AK-23705 [0,1,0,0,0,1|2,0,0]=4 467 B11R1.222 COC(=O)C1=C(N)C=CC=C1 AK-41339 [0,1,0,0,0,1|2,0,0]=4 468 B11R1.222 COC(=O)C1=NC=CC=C1C AK-61199 [0,1,0,0,0,1|1,0,0]=3 469 B11R1.222 ClC1=C(N=CC=C1)C(=O)OC AK-23912 [0,1,0,0,0,1|2,0,0]=4 470 B11R1.222 FC1=CC=CC=C1C(CF)=O AK198962 [0,1,0,0,0,1|2,0,0]=4 471 B11R1.222 NCC(=O)C1=C(C=CC=C1)F AK-70904 [0,1,0,0,0,1|2,0,0]=4 472 B11R1.222 O=C(C1=CC=CNC1=O)OC AK-28355 [0,1,0,0,0,1|2,0,0]=4 473 B11R1.222 O=C(C1=NC=CC=C1Br)OC AK-28556 [0,1,0,0,0,1|2,0,0]=4 474 B11R1.222 O=C(C1=NC=CC=C1F)OC AK-30151 [0,1,0,0,0,1|2,0,0]=4 475 B11R1.222 O=C(C1=NC=CC=C1O)OC AK-26201 [0,1,0,0,0,1|2,0,0]=4 476 B11R1.222 O=C(NC)C1=CC=CC=C1N AK-26614 [0,1,0,0,0,1|2,0,0]=4 477 B11R1.222 O=C(OC)C1=C(O)N=CC=C1 AK-54451 [0,1,0,0,0,1|2,0,0]=4 478 B11R1.222 O=C(OC)C1=CC=CC=C1C AK174020 [0,1,0,0,0,1|1,0,0]=3 479 B11R1.222 O=C(OC)C1=CC=CC=C1Cl AK161838 [0,1,0,0,0,1|2,0,0]=4 480 B11R1.222 O=C(OC)C1=CC=CC=C1I AK-76653 [0,1,0,0,0,1|2,0,0]=4 481 B11R1.222 O=C(OC)C1=CC=CC=C1S AK554462 [0,1,0,0,0,1|2,0,0]=4 482 B11R1.222 O=C(OC)C1=CC=NC=C1Br AK-46004 [0,1,0,0,0,1|2,0,0]=4 483 B11R1.222 O=C(OC)C1=CC=NC=C1N AK-28029 [0,1,0,0,0,1|2,0,0]=4 484 B11R1.222 O=C(OC)C1=CC=NC=C1O AK-49202 [0,1,0,0,0,1|2,0,0]=4 485 B11R1.222 O=C(OC)C1=CN=CC=C1C AK-39773 [0,1,0,0,0,1|1,0,0]=3 486 B11R1.222 O=C(OC)C1=CN=CC=C1N AK-25475 [0,1,0,0,0,1|2,0,0]=4 487 B11R1.222 O=C(OC)C1=NC=CC=C1N AK-29219 [0,1,0,0,0,1|2,0,0]=4 488 B11R1.21 BrC1=C(C=C(C=C1)C(C)=O)F AK-34604 [0,1,0,0,0,1|2,0,0]=4 489 B11R1.21 C1=C(C(=CC=C1C(=O)C)F)C AK-48194 [0,1,0,0,0,1|1,0,0]=3 490 B11R1.21 C1=C(C(=CC=C1C(=O)O)N)C AK-34339 [0,1,0,0,0,1|2,0,0]=4 491 B11R1.21 C1=C(C(=CC=C1C(C)=O)F)Br AK-50601 [0,1,0,0,0,1|2,0,0]=4 492 B11R1.21 C1=C(C(=CC=C1C(O)=O)O)C AK-46719 [0,1,0,0,0,1|2,0,0]=4 493 B11R1.21 C1=C(C=CC(=C1C)Cl)C(O)=O AK-47580 [0,1,0,0,0,1|2,0,0]=4 494 B11R1.21 C1=C(C=CC(=C1F)O)C(C)=O AK-42173 [0,1,0,0,0,1|2,0,0]=4 495 B11R1.21 C1=CC(=CC(=C1F)Cl)C(=O)C AK-49084 [0,1,0,0,0,1|2,0,0]=4 496 B11R1.21 CC(C1=CC(C)=C(Cl)N=C1)=O AK139010 [0,1,0,0,0,1|2,0,0]=4 497 B11R1.21 CC(C1=CC=C(Br)C(C)=C1)=O AK-65018 [0,1,0,0,0,1|1,0,0]=3 498 B11R1.21 CC(C1=CC=C(Br)C(Cl)=C1)=O AK114290 [0,1,0,0,0,1|2,0,0]=4 499 B11R1.21 CC(C1=CC=C(Cl)C(C)=C1)=O AK-51511 [0,1,0,0,0,1|1,0,0]=3 500 B11R1.21 CC(C1=CC=C(Cl)C(Cl)=C1)=O AK-41915 [0,1,0,0,0,1|2,0,0]=4 501 B11R1.21 CC(C1=CC=C(Cl)C(N)=C1)=O AK-45178 [0,1,0,0,0,1|2,0,0]=4 502 B11R1.21 CC(C1=CC=C(F)C(F)=C1)=O AK-53703 [0,1,0,0,0,1|2,0,0]=4 503 B11R1.21 CC(C1=CC=C(I)C(Br)=C1)=O AK482929 [0,1,0,0,0,1|2,0,0]=4 504 B11R1.21 CC(C1=CC=C(N)C(F)=C1)=O AK-94340 [0,1,0,0,0,1|2,0,0]=4 505 B11R1.21 CC(C1=CC=C(O)C(Br)=C1)=O AK201265 [0,1,0,0,0,1|2,0,0]=4 506 B11R1.21 CC(C1=CC=C(O)C(C)=C1)=O AK-41189 [0,1,0,0,0,1|1,0,0]=3 507 B11R1.21 CC(C1=CC=C(O)C(O)=C1)=O AK-42350 [0,1,0,0,0,1|2,0,0]=4 508 B11R1.21 CC1=C(C)N=C(C=C1)C(O)=O AK-89986 [0,1,0,0,0,1|2,0,0]=4 509 B11R1.21 CC1=C(F)C=CC(=N1)C(O)=O AK-38458 [0,1,0,0,0,1|2,0,0]=4 510 B11R1.21 O=C(C=1C=CC(N(C1)C)=O)N AK145245 [0,1,0,0,0,1|1,0,0]=3 511 B11R1.21 O=C(C=1C=CC(N(C1)C)=O)O AK-34900 [0,1,0,0,0,1|1,0,0]=3 512 B11R1.21 O=C(O)C1=CC=C(Br)C(C)=C1 AK-26325 [0,1,0,0,0,1|2,0,0]=4 513 B11R1.21 O=C(O)C1=CC=C(F)C(C)=C1 AK-35056 [0,1,0,0,0,1|2,0,0]=4 514 B11R1.21 O=C(O)C1=NC(C)=C(Br)C=C1 AK-61563 [0,1,0,0,0,1|2,0,0]=4 515 B11R1.23 C1=C(C=CC=C1C(OC)=O)O AK-47384 [0,1,0,0,0,1|2,0,0]=4 516 B11R1.23 C1=C(C=CC=C1F)C(CBr)=O AK-45729 [0,1,0,0,0,1|2,0,0]=4 517 B11R1.23 C1=C(C=NC=C1C)C(OC)=O AK-39649 [0,1,0,0,0,1|2,0,0]=4 518 B11R1.23 C1=CC=C(N=C1C(OC)=O)C AK-32150 [0,1,0,0,0,1|1,0,0]=3 519 B11R1.23 CC1=CC(C(CBr)=O)=CC=C1 AK-43564 [0,1,0,0,0,1|1,0,0]=3 520 B11R1.23 CCC(=O)C1=CC=CC(Cl)=C1 AK101591 [0,1,0,0,0,1|2,0,0]=4 521 B11R1.23 CCC(C1=CC=CC(F)=C1)=O AK548314 [0,1,0,0,0,1|2,0,0]=4 522 B11R1.23 CCC(C1=CC=CC(O)=C1)=O AK-45536 [0,1,0,0,0,1|2,0,0]=4 523 B11R1.23 COC(=O)C1=CC(C)=NC=C1 AK-33626 [0,1,0,0,0,1|2,0,0]=4 524 B11R1.23 COC(=O)C1=CC=CC(=O)N1 AK-64715 [0,1,0,0,0,1|2,0,0]=4 525 B11R1.23 COC(=O)C1=NC(C)=CC=N1 AK100031 [0,1,0,0,0,1|2,0,0]=4 526 B11R1.23 COC(=O)C1=NC=CC(C)=C1 AK-58362 [0,1,0,0,0,1|2,0,0]=4 527 B11R1.23 COC(C1=CC=CC(=N1)Br)=O AK-27818 [0,1,0,0,0,1|2,0,0]=4 528 B11R1.23 ClC1=CC(C(CBr)=O)=CC=C1 AK-47073 [0,1,0,0,0,1|2,0,0]=4 529 B11R1.23 FC1=CC=CC(=C1)C(=O)OC AK-47674 [0,1,0,0,0,1|2,0,0]=4 530 B11R1.23 O=C(C1=CCCN(C)C1)OC AK-42864 [0,1,0,0,0,1|0,0,2]=4 531 B11R1.23 O=C(C1=NC(C)=CN=C1)OC AK130648 [0,1,0,0,0,1|2,0,0]=4 532 B11R1.23 O=C(C1=NC(Cl)=CC=C1)OC AK-51763 [0,1,0,0,0,1|2,0,0]=4 533 B11R1.23 O=C(NC)C1=CC=CC(N)=C1 AK-34399 [0,1,0,0,0,1|2,0,0]=4 534 B11R1.23 O=C(OC)C1=CC=CC(Br)=C1 AK-73031 [0,1,0,0,0,1|2,0,0]=4 535 B11R1.23 O=C(OC)C1=CC=CC(Cl)=C1 AK117218 [0,1,0,0,0,1|2,0,0]=4 536 B11R1.23 O=C(OC)C1=CC=CC(I)=C1 AK-81947 [0,1,0,0,0,1|2,0,0]=4 537 B11R1.23 O=C(OC)C1=CC=CC(N)=C1 AK-43961 [0,1,0,0,0,1|2,0,0]=4 538 B11R1.23 O=C(OC)C1=NC(F)=CC=C1 AK-87700 [0,1,0,0,0,1|2,0,0]=4 539 B11R1.23 O=C(OC)C1=NC(N)=CC=C1 AK-37656 [0,1,0,0,0,1|2,0,0]=4 540 B11R1.74 BrC1=CC(=CC(=C1)C(=O)O)C AK-35753 [0,1,0,0,0,1|2,0,0]=4 541 B11R1.74 C1=C(C=C(C=C1C(O)=O)C)C AK-45888 [0,1,0,0,0,1|2,0,0]=4 542 B11R1.74 C1=C(C=C(C=C1C(O)=O)F)C AK-35437 [0,1,0,0,0,1|2,0,0]=4 543 B11R1.74 CC(=O)C1=CC(Br)=CC(Cl)=C1 AK-88050 [0,1,0,0,0,1|2,0,0]=4 544 B11R1.74 CC(=O)C1=CC(C)=CC(C)=C1 AK-43858 [0,1,0,0,0,1|1,0,0]=3 545 B11R1.74 CC(C1=CC(Br)=CC(Br)=C1)=O AK-87691 [0,1,0,0,0,1|2,0,0]=4 546 B11R1.74 CC(C1=CC(C)=CC(Br)=C1)=O AK143673 [0,1,0,0,0,1|1,0,0]=3 547 B11R1.74 CC(C1=CC(Cl)=CC(Cl)=C1)=O AK-86403 [0,1,0,0,0,1|2,0,0]=4 548 B11R1.74 CC(C1=CC(F)=CC(F)=C1)=O AK-44507 [0,1,0,0,0,1|2,0,0]=4 549 B11R1.74 CC(C1=CC(O)=CC(O)=C1)=O AK-45934 [0,1,0,0,0,1|2,0,0]=4 550 B11R1.74 CC1=CC(=CC(N)=C1)C(O)=O AK-34242 [0,1,0,0,0,1|2,0,0]=4 551 B11R1.74 O=C(O)C1=CC(C)=CC(Cl)=C1 AK-75961 [0,1,0,0,0,1|2,0,0]=4 552 B11R1.74 O=C(O)C1=CC(C)=CC(O)=C1 AK-47209 [0,1,0,0,0,1|2,0,0]=4 553 B11R1.74 O=C(O)C1=NC(C)=CC(C)=C1 AK-33798 [0,1,0,0,0,1|2,0,0]=4 554 B11R1.74 O=C(O)C1=NC(C)=CC(Cl)=C1 AK174217 [0,1,0,0,0,1|2,0,0]=4 555 B11R1.266 C1=C(C(=O)O)C=CC=C1CCl AK-34651 [0,1,0,0,0,1|2,0,0]=4 556 B11R1.266 CC(C1=CC=CC(CCl)=C1)=O AK-86175 [0,1,0,0,0,1|1,0,0]=3 557 B11R1.266 CCC1=CC=CC(=N1)C(O)=O AK-65227 [0,1,0,0,0,1|2,0,0]=4 558 B11R1.266 COC1=CC=CC(=N1)C(C)=O AK-27739 [0,1,0,0,0,1|1,0,0]=3 559 B11R1.266 NCC1=CC=CC(=C1)C(=O)O AK-36663 [0,1,0,0,0,1|2,0,0]=4 560 B11R1.266 O=C(C1=NC(CO)=CC=C1)O AK-40085 [0,1,0,0,0,1|2,0,0]=4 561 B11R1.266 O=C(N)C1=CC=CC(CBr)=C1 AK100650 [0,1,0,0,0,1|2,0,0]=4 562 B11R1.266 O=C(O)C1=CC=CC(CBr)=C1 AK-35991 [0,1,0,0,0,1|2,0,0]=4 563 B11R1.266 O=C(O)C1=CC=CC(NC)=C1 AK164024 [0,1,0,0,0,1|2,0,0]=4 564 B11R1.266 O=C(O)C1=CC=CC(OC)=C1 AK159192 [0,1,0,0,0,1|2,0,0]=4 565 B11R1.266 O=C(O)C1=NC(CN)=CC=C1 AK152008 [0,1,0,0,0,1|2,0,0]=4 566 B11R1.266 O=C(O)C1=NC(OC)=CC=C1 AK-29968 [0,1,0,0,0,1|2,0,0]=4 567 B11R1.266 OCC1=CC=CC(=C1)C(O)=O AK-34506 [0,1,0,0,0,1|2,0,0]=4 568 B11R1.49 O=C(C1=CC(C)=NN1CC)O AK165900 [0,2,0,0,0,0|2,0,0]=4 569 B11R1.59 O=C(C1=C(CC)NC=C1)OC AK173442 [0,2,0,0,0,0|2,0,0]=4 570 B11R1.50 O=C(C1=CC(OC)=NN1C)O AK-68285 [0,2,0,0,0,0|2,0,0]=4 571 B11R1.225 O=C(C1=CC(Br)=CN1N)OC AK170281 [0,2,0,0,0,0|1,0,0]=3 572 B11R1.225 O=C(C1=CC(C)=NN1C)OC AK133239 [0,2,0,0,0,0|1,0,0]=3 573 B11R1.225 O=C(C1=NC(Br)=CN1C)OC AK121847 [0,2,0,0,0,0|1,0,0]=3 574 B11R1.199 CCOC(=O)C1=C(C)C=CN1 AK-37739 [0,2,0,0,0,0|2,0,0]=4 575 B11R1.199 C[N]1C=CN=C1C(=O)OCC AK-34590 [0,2,0,0,0,0|1,0,0]=3 576 B11R1.199 O=C(C1=C(C)NC=C1)OCC AK-36920 [0,2,0,0,0,0|2,0,0]=4 577 B11R1.199 O=C(C1=C(C)SC=C1)OCC AK-47986 [0,2,0,0,0,0|2,0,0]=4 578 B11R1.199 O=C(C1=CC=NN1C)OCC AK198701 [0,2,0,0,0,0|1,0,0]=3 579 B11R1.865 O=C(C1=CN=C(S)N1C)OC AK206517 [0,2,0,0,0,0|1,0,0]=3 580 B11R1.875 O=C(C1=C(C)SC=C1N)OC AK315122 [0,2,0,0,0,0|2,0,0]=4 581 B11R1.875 O=C(C1=C(I)C=NN1C)OC AK-86658 [0,2,0,0,0,0|1,0,0]=3 582 B11R1.875 O=C(C1=C(O)C=CN1C)OC AK162103 [0,2,0,0,0,0|0,0,0]=2 583 B9R1.2 C1=C(NN)C=CC=C1C AK-47381 [0,0,1,1,0,0|2,0,0]=4 584 B9R1.2 C1=CC=C(N=C1OC)C AK-44038 [0,0,1,1,0,0|2,0,0]=4 585 B9R1.2 CNC1=CC=CC(Br)=C1 AK112706 [0,0,1,1,0,0|1,0,1]=4 586 B9R1.2 CNC1=NC(Cl)=CC=C1 AK-48574 [0,0,1,1,0,0|2,0,0]=4 587 B9R1.2 N(N)C1=NC(=CC=C1)C AK-35513 [0,0,1,1,0,0|2,0,0]=4 588 B9R1.6 C1=C(C(C)=O)N=CC=C1 AK-53417 [0,0,1,1,0,0|2,0,0]=4 589 B9R1.6 CC(=O)C1=CC=CN=N1 AK-83539 [0,0,1,1,0,0|1,0,1]=4 590 B9R1.15 C1=CC=CC(=C1NN)C AK-46554 [0,0,1,1,0,0|2,0,0]=4 591 B9R1.15 CC1=CC=CC=C1CC AK-49977 [0,0,1,1,0,0|2,0,0]=4 592 B9R1.15 CNC1=CC=CC=C1Cl AK163346 [0,0,1,1,0,0|1,0,1]=4 593 B9R1.15 CNC1=CC=CC=C1F AK-48931 [0,0,1,1,0,0|1,0,1]=4 594 B9R1.15 CNC1=CC=CN=C1Cl AK115045 [0,0,1,1,0,0|2,0,0]=4 595 B9R1.15 NC1=CC=CC=C1NC AK-35283 [0,0,1,1,0,0|1,0,1]=4 596 B9R2.3 C1CN2N=CC=C2C1 AK-40480 [1,0,0,1,0,0|1,0,1]=4 597 B11R2.1 C1=CC=CC2=C1C(CC2)=O AK-44115 [0,0,0,1,0,1|1,0,0]=3 598 B11R2.1 C1=CC=CC2=C1C(CO2)=O AK-45365 [0,0,0,1,0,1|2,0,0]=4 599 B11R2.1 CC1=CCC2=CC=CC=C12 AK-79878 [0,0,0,1,0,1|2,0,0]=4 600 B11R2.1 O=C1C2=CC=CC=C2SC1 AK-29817 [0,0,0,1,0,1|2,0,0]=4 601 B11R2.1 O=C1CCC2=CC=CN=C21 AK-29125 [0,0,0,1,0,1|1,0,0]=3 602 B11R2.1 O=C1NCC2=C1C=CC=C2 AK-68456 [0,0,0,1,0,1|2,0,0]=4 603 B11R2.1 O=C1NCC2=C1C=CC=N2 AK103949 [0,0,0,1,0,1|2,0,0]=4 604 B11R2.1 O=C1NCC2=C1C=CN=C2 AK173131 [0,0,0,1,0,1|2,0,0]=4 605 B11R2.1 O=C1OCC2=C1C=CC=C2 AK-78719 [0,0,0,1,0,1|2,0,0]=4 606 B11R2.1 O=C1OCC2=NC=CC=C12 AK-45766 [0,0,0,1,0,1|2,0,0]=4 607 B11R2.106 C1(NCC[N]2C1=CC=C2)=O AK-31113 [0,1,0,1,0,0|0,0,0]=2 608 B11R2.106 O=C1C2=CC=CN2C=CN1 AK-31114 [0,1,0,1,0,0|0,0,2]=4 609 B11R2.106 O=C1C2=CC=CN2NC=C1 AK-31769 [0,1,0,1,0,0|0,0,2]=4 610 B11R2.106 O=C1C2=CC=NN2CCC1 AK137088 [0,1,0,1,0,0|1,0,0]=3 611 B11R2.106 O=C1CCCC2=C1C=CO2 AK-63547 [0,1,0,1,0,0|2,0,0]=4 612 B11R2.106 O=C1CCCC2=C1C=CS2 AK-46453 [0,1,0,1,0,0|2,0,0]=4 613 B11R2.106 O=C1NC=NN2C=CC=C12 AK-28701 [0,1,0,1,0,0|1,0,1]=4 614 B11R1.86 C1=C(CC(=O)C)C(=CC=C1)Br AK-47295 [0,0,0,0,0,2|2,0,0]=4 615 B11R1.86 C1=CC=CC(=C1CC(O)=O)C AK-45537 [0,0,0,0,0,2|2,0,0]=4 616 B11R1.86 CC(CC1=CC=CC=C1F)=O AK117069 [0,0,0,0,0,2|2,0,0]=4 617 B11R1.86 CC(NC1=CC=CC=C1N)=O AK112083 [0,0,0,0,0,2|2,0,0]=4 618 B11R1.86 CC(NC1=CC=CC=C1O)=O AK116958 [0,0,0,0,0,2|2,0,0]=4 619 B11R1.86 CC(NC1=NC=CC=C1O)=O AK124571 [0,0,0,0,0,2|2,0,0]=4 620 B11R1.157 CC(=O)CC1=CC(F)=CC=C1 AK-60937 [0,0,0,0,0,2|2,0,0]=4 621 B11R1.157 CC(=O)NC1=NC(N)=CC=C1 AK103372 [0,0,0,0,0,2|2,0,0]=4 622 B11R1.157 CC(CC1=CC=CC(Br)=C1)=O AK-94137 [0,0,0,0,0,2|2,0,0]=4 623 B11R1.157 CC(NC1=CC=CC(N)=C1)=O AK-76549 [0,0,0,0,0,2|2,0,0]=4 624 B11R1.157 CC(NC1=CC=CC(O)=C1)=O AK-84439 [0,0,0,0,0,2|2,0,0]=4 625 B11R1.157 CC(NC1=NC(Br)=CC=C1)=O AK-92376 [0,0,0,0,0,2|2,0,0]=4 626 B11R1.157 CC(OC1=CC=CC(Br)=C1)=O AK-80146 [0,0,0,0,0,2|2,0,0]=4 627 B11R1.157 CC(OC1=CC=CC(F)=C1)=O AK135677 [0,0,0,0,0,2|2,0,0]=4 628 B11R1.157 O=C([O-])CC1=NC(C)=CC=C1 AK-91618 [0,0,0,0,0,2|2,0,0]=4