0 B9R1.35 BrC1=CC(=CS1)C(=O)O AK-28622 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.35 BrC1=CC(=CS1)C(C)=O AK-35777 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.35 C1=C(C(=O)O)SC(=N1)N AK-24488 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.35 C1=C(C)ON=C1C(N)=O AK-26695 [0,0,0,0,0,0|2,0,0]=2 4 B9R1.35 C1=C(C)[NH]N=C1C(O)=O AK-27812 [0,0,0,0,0,0|0,0,0]=0 5 B9R1.35 C1=C(OC(=C1)Br)C(O)=O AK-35759 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.35 C1=C(OC(=C1)C)C(O)=O AK-44799 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.35 C1=C(ON=C1Br)C(=O)O AK-21783 [0,0,0,0,0,0|2,0,1]=3 8 B9R1.35 C1=C(SC(=C1)C(O)=O)Cl AK-29045 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.35 C1=C(SC(=C1)C)C(=O)C AK-33183 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.35 C1=C(SC(=N1)C)C(=O)O AK-35030 [0,0,0,0,0,0|2,0,1]=3 11 B9R1.35 CC(=O)C1=CC=C(C)O1 AK-77189 [0,0,0,0,0,0|4,0,0]=4 12 B9R1.35 CC(=O)C1=NC(C)=CO1 AK-80747 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.35 CC(=O)C1=NOC(C)=C1 AK-47045 [0,0,0,0,0,0|2,0,0]=2 14 B9R1.35 CC(C1=CC(Cl)=CS1)=O AK-77338 [0,0,0,0,0,0|4,0,0]=4 15 B9R1.35 CC1=CC(=NN1)B(O)O AK-39398 [0,0,0,0,0,0|1,0,1]=2 16 B9R1.35 CC1=CC(=N[NH]1)[N+](=O)[O-] AK-32095 [0,0,0,0,0,0|1,0,1]=2 17 B9R1.35 CC1=CC=C(N1)C(O)=O AK100045 [0,0,0,0,0,0|3,0,0]=3 18 B9R1.35 CC1=CN=C(S1)C(=O)O AK-26650 [0,0,0,0,0,0|2,0,0]=2 19 B9R1.35 CC1=CSC(B(O)O)=C1 AK-84144 [0,0,0,0,0,0|3,0,1]=4 20 B9R1.35 CN1C=C(C=N1)C(C)=O AK-34919 [0,0,0,0,0,0|3,0,1]=4 21 B9R1.35 CN1C=CC(=C1)C(O)=O AK-28665 [0,0,0,0,0,0|3,0,0]=3 22 B9R1.35 C[N]1C=C(N=C1)C(=O)N AK-47806 [0,0,0,0,0,0|3,0,0]=3 23 B9R1.35 ClC1=CC(=CS1)C(=O)O AK-29222 [0,0,0,0,0,0|3,0,0]=3 24 B9R1.35 NC1=NN=C(N1)C(O)=O AK-24773 [0,0,0,0,0,0|2,0,1]=3 25 B9R1.35 O=C(C1=CC(Br)=CN1)N AK106602 [0,0,0,0,0,0|3,0,1]=4 26 B9R1.35 O=C(C1=CC(Br)=CO1)N AK120768 [0,0,0,0,0,0|4,0,0]=4 27 B9R1.35 O=C(C1=CC(Br)=CS1)N AK-90412 [0,0,0,0,0,0|4,0,0]=4 28 B9R1.35 O=C(C1=CC(Br)=CS1)O AK-24697 [0,0,0,0,0,0|3,0,0]=3 29 B9R1.35 O=C(C1=CC(C)=NO1)O AK-29291 [0,0,0,0,0,0|1,0,1]=2 30 B9R1.35 O=C(C1=CC(O)=NO1)N AK143689 [0,0,0,0,0,0|3,0,1]=4 31 B9R1.35 O=C(C1=CC(O)=NO1)O AK-58553 [0,0,0,0,0,0|2,0,1]=3 32 B9R1.35 O=C(C1=CC=C(Br)S1)O AK-26297 [0,0,0,0,0,0|4,0,0]=4 33 B9R1.35 O=C(C1=CC=C(C)S1)O AK-25546 [0,0,0,0,0,0|3,0,0]=3 34 B9R1.35 O=C(C1=CC=C(Cl)O1)O AK-94156 [0,0,0,0,0,0|4,0,0]=4 35 B9R1.35 O=C(C1=CC=C(F)S1)O AK-35162 [0,0,0,0,0,0|4,0,0]=4 36 B9R1.35 O=C(C1=CC=C(I)S1)O AK113691 [0,0,0,0,0,0|4,0,0]=4 37 B9R1.35 O=C(C1=CN(C)C=N1)O AK-30010 [0,0,0,0,0,0|2,0,0]=2 38 B9R1.35 O=C(C1=CN(C)N=C1)O AK-39751 [0,0,0,0,0,0|2,0,1]=3 39 B9R1.35 O=C(C1=CN=C(Br)S1)O AK-26941 [0,0,0,0,0,0|3,0,1]=4 40 B9R1.35 O=C(C1=CN=C(C)O1)O AK-43778 [0,0,0,0,0,0|2,0,1]=3 41 B9R1.35 O=C(C1=CNC(C)=C1)O AK-78330 [0,0,0,0,0,0|1,0,0]=1 42 B9R1.35 O=C(C1=CNC(C)=N1)O AK-78654 [0,0,0,0,0,0|2,0,0]=2 43 B9R1.35 O=C(C1=COC(Br)=N1)O AK-76031 [0,0,0,0,0,0|4,0,0]=4 44 B9R1.35 O=C(C1=COC(I)=N1)O AK-41227 [0,0,0,0,0,0|4,0,0]=4 45 B9R1.35 O=C(C1=CSC(Br)=C1)N AK138264 [0,0,0,0,0,0|4,0,0]=4 46 B9R1.35 O=C(C1=CSC(Br)=N1)O AK-23610 [0,0,0,0,0,0|4,0,0]=4 47 B9R1.35 O=C(C1=CSC(Cl)=N1)O AK-48303 [0,0,0,0,0,0|4,0,0]=4 48 B9R1.35 O=C(C1=NC(Br)=CS1)O AK-40795 [0,0,0,0,0,0|4,0,0]=4 49 B9R1.35 O=C(C1=NC(C)=CN1)O AK-29453 [0,0,0,0,0,0|2,0,1]=3 50 B9R1.35 O=C(C1=NC=C(Br)S1)O AK122038 [0,0,0,0,0,0|3,0,0]=3 51 B9R1.35 O=C(C1=NN(C)C=C1)O AK-79303 [0,0,0,0,0,0|4,0,0]=4 52 B9R1.35 O=C(C1=NN=C(C)O1)[O-] AK-40665 [0,0,0,0,0,0|1,0,2]=3 53 B9R1.35 O=C(C1=NN=C(C)S1)[O-] AK170312 [0,0,0,0,0,0|1,0,2]=3 54 B9R1.35 O=C(C1=NNC(Br)=C1)O AK128451 [0,0,0,0,0,0|1,0,0]=1 55 B9R1.35 O=C(C1=NNC(Cl)=C1)O AK112708 [0,0,0,0,0,0|1,0,0]=1 56 B9R1.35 O=C(C1=NOC(C)=C1)O AK-25795 [0,0,0,0,0,0|1,0,0]=1 57 B9R1.35 O=C(O)C1=CC(Br)=CO1 AK-41331 [0,0,0,0,0,0|3,0,0]=3 58 B9R1.35 O=[N+](C1=CN(C)C=N1)[O-] AK-77403 [0,0,0,0,0,0|3,0,1]=4 59 B9R1.35 O=[N+](C1=CNC(C)=N1)[O-] AK-98967 [0,0,0,0,0,0|3,0,1]=4 60 B9R1.35 O=[N+](C1=NNC(C)=C1)[O-] AK-77102 [0,0,0,0,0,0|1,0,1]=2 61 B9R1.35 OC(=O)C1=CC(Br)=CN1 AK-27737 [0,0,0,0,0,0|2,0,1]=3 62 B9R1.35 OC(=O)C1=CC(Cl)=CS1 AK-89071 [0,0,0,0,0,0|3,0,0]=3 63 B9R1.35 OC(=O)C1=CC(F)=CS1 AK-29152 [0,0,0,0,0,0|3,0,0]=3 64 B9R1.35 OC(=O)C1=CC=C(Br)N1 AK100216 [0,0,0,0,0,0|4,0,0]=4 65 B9R1.35 OC(=O)C1=CNC(=O)N1 AK-68699 [0,0,0,0,0,0|3,0,0]=3 66 B9R1.35 OC(=O)C1=COC(Cl)=N1 AK-72648 [0,0,0,0,0,0|4,0,0]=4 67 B9R1.35 OC(=O)C1=NNC(O)=C1 AK-96196 [0,0,0,0,0,0|1,0,0]=1 68 B8R1.1 BrC1=NOC(C=O)=C1 AK-23688 [1,0,0,0,0,0|2,0,1]=4 69 B8R1.1 C1=C(C=N[N]1C)C=O AK-27714 [1,0,0,0,0,0|2,0,1]=4 70 B8R1.1 C1=C(N=C(S1)C)C=O AK-25586 [1,0,0,0,0,0|3,0,0]=4 71 B8R1.1 CC1=CC(C=O)=NN1 AK-98775 [1,0,0,0,0,0|0,0,0]=1 72 B8R1.1 CC1=CC(CO)=NO1 AK-29211 [1,0,0,0,0,0|1,0,1]=3 73 B8R1.1 CC1=CC=C(S1)C=O AK-30245 [1,0,0,0,0,0|3,0,0]=4 74 B8R1.1 CC1=NC(C=O)=CO1 AK-68492 [1,0,0,0,0,0|3,0,0]=4 75 B8R1.1 CC1=NOC(CO)=C1 AK105202 [1,0,0,0,0,0|1,0,2]=4 76 B8R1.1 IC1=CNC(C=O)=C1 AK-76715 [1,0,0,0,0,0|2,0,1]=4 77 B8R1.1 IC1=CSC(C=O)=C1 AK-82084 [1,0,0,0,0,0|3,0,0]=4 78 B8R1.1 N#CC1=NNC(C)=C1 AK-42622 [1,0,0,0,0,0|1,0,1]=3 79 B8R1.1 N#CC1=NOC(C)=C1 AK117451 [1,0,0,0,0,0|2,0,1]=4 80 B8R1.1 NC1=CC(CC)=NN1 AK-31629 [1,0,0,0,0,0|2,0,1]=4 81 B8R1.1 NCC1=NOC(C)=C1 AK153364 [1,0,0,0,0,0|2,0,1]=4 82 B8R1.1 O=CC1=CC(Br)=CO1 AK-79028 [1,0,0,0,0,0|3,0,0]=4 83 B8R1.1 O=CC1=CC(Br)=CS1 AK-33867 [1,0,0,0,0,0|3,0,0]=4 84 B8R1.1 O=CC1=CC=C(C)O1 AK-94177 [1,0,0,0,0,0|3,0,0]=4 85 B8R1.1 O=CC1=CN=C(C)O1 AK-25452 [1,0,0,0,0,0|2,0,1]=4 86 B8R1.1 O=CC1=CN=C(C)S1 AK-32616 [1,0,0,0,0,0|2,0,1]=4 87 B8R1.1 O=CC1=CSC(C)=C1 AK138065 [1,0,0,0,0,0|2,0,0]=3 88 B8R1.1 O=CC1=CSC(Cl)=C1 AK-50469 [1,0,0,0,0,0|3,0,0]=4 89 B8R1.1 O=CC1=NOC(C)=C1 AK-35881 [1,0,0,0,0,0|1,0,0]=2 90 B8R1.1 OCC1=CN(C)C=N1 AK-44293 [1,0,0,0,0,0|2,0,1]=4 91 B8R1.1 OCC1=NC=C(C)S1 AK-48006 [1,0,0,0,0,0|2,0,1]=4 92 B8R1.1 OCC1=NN=C(C)S1 AK343138 [1,0,0,0,0,0|1,0,2]=4 93 B8R1.1 OCC1=NNC(N)=C1 AK145959 [1,0,0,0,0,0|1,0,1]=3 94 B8R1.7 C1=C(C(=O)O)[NH]C=N1 AK-25282 [1,0,0,0,0,0|2,0,1]=4 95 B8R1.7 C1=COC=C1C(O)=O AK-32276 [1,0,0,0,0,0|2,0,0]=3 96 B8R1.7 C1=CSC(=N1)C(C)=O AK-46781 [1,0,0,0,0,0|3,0,0]=4 97 B8R1.7 C1=NC=C(S1)C(=O)O AK-27761 [1,0,0,0,0,0|2,0,1]=4 98 B8R1.7 C1=N[NH]C=C1C(O)=O AK-25877 [1,0,0,0,0,0|2,0,0]=3 99 B8R1.7 CC(=O)C1=CC=CN1 AK-53458 [1,0,0,0,0,0|2,0,1]=4 100 B8R1.7 CC(=O)C1=CC=NO1 AK-68495 [1,0,0,0,0,0|2,0,1]=4 101 B8R1.7 CC(=O)C1=CSC=C1 AK-44537 [1,0,0,0,0,0|3,0,0]=4 102 B8R1.7 NC(=O)C1=COC=N1 AK-99961 [1,0,0,0,0,0|3,0,0]=4 103 B8R1.7 O1C=CC(=N1)C(=O)O AK-27692 [1,0,0,0,0,0|1,0,0]=2 104 B8R1.7 O1N=CC(=N1)C(=O)O AK-32069 [1,0,0,0,0,0|2,0,0]=3 105 B8R1.7 O=C(C1=CC=CN1)O AK-44225 [1,0,0,0,0,0|1,0,1]=3 106 B8R1.7 O=C(C1=CC=CO1)O AK-72863 [1,0,0,0,0,0|2,0,0]=3 107 B8R1.7 O=C(C1=CC=CS1)[O-] AK110095 [1,0,0,0,0,0|2,0,1]=4 108 B8R1.7 O=C(C1=CC=NO1)O AK-25596 [1,0,0,0,0,0|1,0,1]=3 109 B8R1.7 O=C(C1=CC=NS1)O AK-94814 [1,0,0,0,0,0|1,0,1]=3 110 B8R1.7 O=C(C1=CCCC1)O AK-33463 [1,0,0,0,0,0|2,0,1]=4 111 B8R1.7 O=C(C1=CN=CO1)O AK-28732 [1,0,0,0,0,0|2,0,1]=4 112 B8R1.7 O=C(C1=CNC=C1)C AK-45953 [1,0,0,0,0,0|2,0,0]=3 113 B8R1.7 O=C(C1=CNC=N1)C AK-45163 [1,0,0,0,0,0|3,0,0]=4 114 B8R1.7 O=C(C1=COC=N1)O AK-29026 [1,0,0,0,0,0|2,0,0]=3 115 B8R1.7 O=C(C1=CSC=C1)O AK-46373 [1,0,0,0,0,0|2,0,0]=3 116 B8R1.7 O=C(C1=CSC=N1)O AK-23931 [1,0,0,0,0,0|2,0,0]=3 117 B8R1.7 O=C(C1=CSN=C1)O AK-84534 [1,0,0,0,0,0|2,0,1]=4 118 B8R1.7 O=C(C1=NC=CN1)N AK139797 [1,0,0,0,0,0|3,0,0]=4 119 B8R1.7 O=C(C1=NC=CO1)[O-] AK-93393 [1,0,0,0,0,0|2,0,1]=4 120 B8R1.7 O=C(C1=NNC=C1)N AK-27992 [1,0,0,0,0,0|1,0,0]=2 121 B8R1.7 O=C(C1=NNC=C1)O AK-29904 [1,0,0,0,0,0|0,0,0]=1 122 B8R1.7 O=C([C@H]1NCC=C1)O AK-77612 [1,0,0,0,0,0|1,0,2]=4 123 B8R1.7 OB(C1=NNC=C1)O AK-76785 [1,0,0,0,0,0|1,0,1]=3 124 B8R1.7 OB(O)C1=NNC=C1 AK-96257 [1,0,0,0,0,0|1,0,1]=3 125 B8R1.7 OC(=O)C1=CNC=C1 AK-26450 [1,0,0,0,0,0|1,0,0]=2 126 B8R1.7 OC(=O)C1=CNN=N1 AK-28855 [1,0,0,0,0,0|1,0,1]=3 127 B8R1.7 S1C=C(N=C1)C(C)=O AK-39395 [1,0,0,0,0,0|3,0,0]=4 128 B8R1.7 S1C=CN=C1C(=O)O AK-21895 [1,0,0,0,0,0|2,0,0]=3 129 B8R1.7 [C@@H]1(NCC=C1)C(O)=O AK-45899 [1,0,0,0,0,0|1,0,2]=4 130 B8R1.7 [NH]1C=CN=C1C(=O)O AK-27693 [1,0,0,0,0,0|2,0,0]=3 131 B8R1.7 [O-]C(=O)C1=CC=CS1 AK111442 [1,0,0,0,0,0|2,0,1]=4 132 B8R1.7 [O-][N+](=O)C1=CNC=C1 AK-82340 [1,0,0,0,0,0|2,0,1]=4 133 B10R1.14 C1=C(SC=C1N)C(OC)=O AK-36782 [0,1,0,0,0,0|3,0,0]=4 134 B10R1.14 COC(=O)C1=CC(=CO1)Br AK-39920 [0,1,0,0,0,0|3,0,0]=4 135 B10R1.14 COC(=O)C1=CC(Br)=CN1 AK-23914 [0,1,0,0,0,0|2,0,1]=4 136 B10R1.14 COC(=O)C1=CC(Br)=CS1 AK-55210 [0,1,0,0,0,0|3,0,0]=4 137 B10R1.14 COC(=O)C1=CC(C)=NO1 AK-99990 [0,1,0,0,0,0|1,0,1]=3 138 B10R1.14 COC(=O)C1=CC(NO1)=O AK-32642 [0,1,0,0,0,0|2,0,0]=3 139 B10R1.14 COC(=O)C1=CNC(Br)=C1 AK-63235 [0,1,0,0,0,0|2,0,0]=3 140 B10R1.14 COC(=O)C1=COC(C)=C1 AK-28257 [0,1,0,0,0,0|2,0,0]=3 141 B10R1.14 COC(=O)C1=NN=C(C)O1 AK-65307 [0,1,0,0,0,0|1,0,1]=3 142 B10R1.14 COC(=O)C1=NNC(Br)=C1 AK109827 [0,1,0,0,0,0|1,0,0]=2 143 B10R1.14 COC(=O)C1=NNC(C)=C1 AK-77018 [0,1,0,0,0,0|0,0,0]=1 144 B10R1.14 COC(=O)C1=N[N](C=N1)C AK-42049 [0,1,0,0,0,0|3,0,0]=4 145 B10R1.14 NC1=CC(=N[NH]1)C(=O)OC AK-35933 [0,1,0,0,0,0|1,0,0]=2 146 B10R1.14 O=C(C1=CC=C(C)O1)OC AK124407 [0,1,0,0,0,0|3,0,0]=4 147 B10R1.14 O=C(C1=CN(C)N=C1)OC AK-75955 [0,1,0,0,0,0|2,0,1]=4 148 B10R1.14 O=C(C1=CN=C(C)O1)OC AK-26225 [0,1,0,0,0,0|2,0,1]=4 149 B10R1.14 O=C(C1=CSC(Br)=C1)OC AK138265 [0,1,0,0,0,0|3,0,0]=4 150 B10R1.14 O=C(C1=NC(C)=CS1)OC AK-68231 [0,1,0,0,0,0|3,0,0]=4 151 B10R1.14 O=C(C1=NC=C(C)S1)OC AK-76566 [0,1,0,0,0,0|2,0,0]=3 152 B10R1.14 O=C(C1=NNC(Br)=N1)OC AK-32278 [0,1,0,0,0,0|2,0,0]=3 153 B10R1.14 O=C(C1=NNC(N)=N1)OC AK-32277 [0,1,0,0,0,0|2,0,0]=3 154 B10R1.14 O=C(C1=NNC(O)=C1)OC AK-77271 [0,1,0,0,0,0|1,0,0]=2 155 B10R1.14 O=C(C1=NOC(C)=C1)NC AK686886 [0,1,0,0,0,0|2,0,0]=3 156 B10R1.31 C1=C(OC(=C1)CO)C(=O)O AK-26213 [0,1,0,0,0,0|3,0,0]=4 157 B10R1.31 CSC1=CC=C(S1)C(O)=O AK-34056 [0,1,0,0,0,0|3,0,0]=4 158 B10R1.31 O=C(C1=CC(C#N)=CO1)O AK-42021 [0,1,0,0,0,0|2,0,1]=4 159 B10R1.31 O=C(C1=CN(CC)N=C1)O AK-83434 [0,1,0,0,0,0|2,0,1]=4 160 B10R1.31 O=C(C1=CSC(CC)=N1)O AK-41200 [0,1,0,0,0,0|3,0,0]=4 161 B10R1.31 O=C(C1=CSC(CC)=N1)O AK107643 [0,1,0,0,0,0|3,0,0]=4 162 B10R1.31 O=C(C1=NC(CC)=CS1)O AK158458 [0,1,0,0,0,0|3,0,0]=4 163 B10R1.31 O=C(C1=NC=C(OC)O1)O AK139150 [0,1,0,0,0,0|2,0,0]=3 164 B10R1.55 CC1=CC(=NN1)C(F)(F)F AK-41821 [0,1,0,0,0,0|2,0,1]=4 165 B10R1.58 CN1N=C(C=C1C)C(O)=O AK-95883 [0,1,0,0,0,0|0,0,0]=1 166 B10R1.58 O=C(C1=CC(Br)=C(Cl)S1)O AK127057 [0,1,0,0,0,0|3,0,0]=4 167 B10R1.58 O=C(C1=CC(Cl)=C(Br)S1)O AK127116 [0,1,0,0,0,0|3,0,0]=4 168 B10R1.58 O=C(C1=CC(Cl)=C(Cl)S1)O AK-76939 [0,1,0,0,0,0|3,0,0]=4 169 B10R1.58 O=C(C1=CC(N)=C(Br)S1)O AK-30179 [0,1,0,0,0,0|3,0,0]=4 170 B10R1.58 O=C(C1=NN(C)C(C)=C1)N AK185700 [0,1,0,0,0,0|1,0,0]=2 171 B10R1.58 O=C(C1=NN(C)C(O)=C1)O AK-81704 [0,1,0,0,0,0|1,0,0]=2 172 B10R1.58 OC(=O)C1=CC(Br)=C(Br)S1 AK-82334 [0,1,0,0,0,0|3,0,0]=4 173 B10R1.59 CC(C1=CC(C)=NN1C)=O AK-39987 [0,1,0,0,0,0|1,0,2]=4 174 B10R1.59 CN1C=C(C(O)=O)C(C)=N1 AK-40438 [0,1,0,0,0,0|2,0,1]=4 175 B10R1.59 O=C(C1=C(Br)OC(C)=N1)O AK-24421 [0,1,0,0,0,0|3,0,0]=4 176 B10R1.59 O=C(C1=C(Br)SC(Br)=C1)O AK-64336 [0,1,0,0,0,0|3,0,0]=4 177 B10R1.59 O=C(C1=C(C)N=C(C)S1)O AK-35512 [0,1,0,0,0,0|2,0,1]=4 178 B10R1.59 O=C(C1=C(Cl)SC(Cl)=C1)O AK-34842 [0,1,0,0,0,0|3,0,0]=4 179 B10R1.59 O=C(C1=C(N)SC(C)=C1)N AK130323 [0,1,0,0,0,0|3,0,0]=4 180 B10R1.59 O=C(C1=CC(Br)=CN1C)O AK101071 [0,1,0,0,0,0|2,0,1]=4 181 B10R1.59 O=C(C1=CC(C)=NN1C)N AK-58611 [0,1,0,0,0,0|1,0,2]=4 182 B10R1.59 O=C(C1=CC(C)=NN1C)O AK-29420 [0,1,0,0,0,0|0,0,2]=3 183 B10R1.194 CC(C1=CNC(Br)=C1C)=O AK-25566 [0,1,0,0,0,0|3,0,0]=4 184 B10R1.194 CC1=N[NH]C(=C1C)C(=O)O AK-75831 [0,1,0,0,0,0|0,0,2]=3 185 B10R1.194 CN1N=CC(C(O)=O)=C1C AK-45255 [0,1,0,0,0,0|2,0,1]=4 186 B10R1.194 O=C(C1=C(C)C(C)=CS1)O AK-36791 [0,1,0,0,0,0|2,0,0]=3 187 B10R1.194 O=C(C1=C(C)N(C)C=C1)O AK164868 [0,1,0,0,0,0|3,0,0]=4 188 B10R1.194 O=C(C1=C(C)N(C)C=N1)O AK-43748 [0,1,0,0,0,0|2,0,0]=3 189 B10R1.194 O=C(C1=C(Cl)C(Cl)=NS1)O AK-28232 [0,1,0,0,0,0|2,0,1]=4 190 B10R1.194 O=C(C1=C(N)N(C)N=C1)O AK-39892 [0,1,0,0,0,0|2,0,1]=4 191 B10R1.194 O=C(C1=CSC(C)=C1N)O AK161687 [0,1,0,0,0,0|2,0,0]=3 192 B10R1.194 O=[N+](C1=NNC(C)=C1Br)[O-] AK-54530 [0,1,0,0,0,0|1,0,1]=3 193 B8R0.9 CC\C(C)=C\CC(O)=O AK146168 [0,0,1,0,0,0|2,0,1]=4 194 B8R0.9 O=C(O)\C=C\C(OC)=O AK114632 [0,0,1,0,0,0|3,0,0]=4 195 B8R1.23 O=C(C1CC(N1)=O)O AK-40842 [0,0,0,0,1,0|1,0,2]=4 196 B10R1.13 BrC1=CN=C(C=N1)C(=O)O AK-24192 [0,0,0,0,0,1|2,0,0]=3 197 B10R1.13 BrC1=CN=C(N=C1)C(=O)O AK-21808 [0,0,0,0,0,1|2,0,0]=3 198 B10R1.13 C1=C(C=NC(=C1)N)C(=O)O AK-25111 [0,0,0,0,0,1|2,0,1]=4 199 B10R1.13 C1=C(N=CC(=C1)C(C)=O)C AK-25853 [0,0,0,0,0,1|2,0,1]=4 200 B10R1.13 C1=C([N+](=O)[O-])N=CC(=C1)C AK-28721 [0,0,0,0,0,1|2,0,1]=4 201 B10R1.13 C1=CC(=CC=C1C(O)=O)Br AK-50463 [0,0,0,0,0,1|3,0,0]=4 202 B10R1.13 C1=CC(=CC=C1C(O)=O)F AK-73077 [0,0,0,0,0,1|3,0,0]=4 203 B10R1.13 C1=CC(=CN=C1C(O)=O)C AK-27814 [0,0,0,0,0,1|1,0,0]=2 204 B10R1.13 C1=CC(=NC=C1C(N)=O)C AK-48877 [0,0,0,0,0,1|2,0,1]=4 205 B10R1.13 C1=NC(=CC=C1C(=O)O)F AK-25936 [0,0,0,0,0,1|2,0,1]=4 206 B10R1.13 C1=NC(=CN=C1C(=O)N)Cl AK-28055 [0,0,0,0,0,1|3,0,0]=4 207 B10R1.13 C1=NC(=CN=C1C(=O)O)Cl AK-24710 [0,0,0,0,0,1|2,0,0]=3 208 B10R1.13 CC(C1=CC=C(C)C=C1)=O AK-41305 [0,0,0,0,0,1|3,0,0]=4 209 B10R1.13 CC(C1=NC=C(Br)C=C1)=O AK-28454 [0,0,0,0,0,1|3,0,0]=4 210 B10R1.13 CC(C1=NC=C(Br)C=N1)=O AK129384 [0,0,0,0,0,1|3,0,0]=4 211 B10R1.13 CC(C1=NC=C(Cl)C=C1)=O AK-77099 [0,0,0,0,0,1|3,0,0]=4 212 B10R1.13 CC(C1=NC=C(Cl)N=C1)=O AK-42149 [0,0,0,0,0,1|3,0,0]=4 213 B10R1.13 CC(C1=NC=C(O)C=C1)=O AK116053 [0,0,0,0,0,1|3,0,0]=4 214 B10R1.13 CC(C1=NC=C(O)N=C1)=O AK134806 [0,0,0,0,0,1|3,0,0]=4 215 B10R1.13 CC1=CC=C(S(O)=O)C=C1 AK-46949 [0,0,0,0,0,1|3,0,0]=4 216 B10R1.13 CC1=NC=C(C=N1)C(=O)O AK-25207 [0,0,0,0,0,1|1,0,1]=3 217 B10R1.13 ClC1=CC=C(N=C1)C(=O)O AK-26702 [0,0,0,0,0,1|2,0,0]=3 218 B10R1.13 ClC1=CC=C(N=N1)C(=O)N AK-28115 [0,0,0,0,0,1|2,0,1]=4 219 B10R1.13 ClC1=CC=C(N=N1)C(=O)O AK-23862 [0,0,0,0,0,1|1,0,1]=3 220 B10R1.13 FC1=CC=C(N=C1)C(=O)O AK-28724 [0,0,0,0,0,1|2,0,0]=3 221 B10R1.13 NC(=O)C1=NC=C(N)C=N1 AK-82639 [0,0,0,0,0,1|3,0,0]=4 222 B10R1.13 NC(=O)C1=NC=C(N)N=C1 AK102768 [0,0,0,0,0,1|3,0,0]=4 223 B10R1.13 NC1=CN=C(C=C1)C(=O)O AK-25651 [0,0,0,0,0,1|2,0,0]=3 224 B10R1.13 NC1=CN=C(N=C1)C(O)=O AK-29407 [0,0,0,0,0,1|2,0,0]=3 225 B10R1.13 NC1=NC=C(N=C1)C(=O)O AK-24195 [0,0,0,0,0,1|2,0,0]=3 226 B10R1.13 O=C(C1=CN=C(Cl)N=C1)O AK-25020 [0,0,0,0,0,1|2,0,1]=4 227 B10R1.13 O=C(C1=CN=C(N)N=C1)O AK-17303 [0,0,0,0,0,1|2,0,1]=4 228 B10R1.13 O=C(C1=CN=C(O)N=C1)O AK-55017 [0,0,0,0,0,1|2,0,1]=4 229 B10R1.13 O=C(C1=CNC(C=N1)=O)O AK-24756 [0,0,0,0,0,1|2,0,0]=3 230 B10R1.13 O=C(C1=NC=C(Br)C=C1)N AK-36812 [0,0,0,0,0,1|3,0,0]=4 231 B10R1.13 O=C(C1=NC=C(Br)C=C1)O AK-25747 [0,0,0,0,0,1|2,0,0]=3 232 B10R1.13 O=C(C1=NC=C(Br)C=N1)N AK-75832 [0,0,0,0,0,1|3,0,0]=4 233 B10R1.13 O=C(C1=NC=C(Br)N=C1)N AK156282 [0,0,0,0,0,1|3,0,0]=4 234 B10R1.13 O=C(C1=NC=C(C)C=N1)O AK-29650 [0,0,0,0,0,1|1,0,0]=2 235 B10R1.13 O=C(C1=NC=C(N)C=C1)N AK-40127 [0,0,0,0,0,1|3,0,0]=4 236 B10R1.13 O=C(C1=NC=C(O)C=N1)O AK-40704 [0,0,0,0,0,1|2,0,0]=3 237 B10R1.13 O=C(C1=NN=C(N)C=C1)O AK-26163 [0,0,0,0,0,1|1,0,1]=3 238 B10R1.13 O=C(C1=NN=C(O)C=C1)O AK-25880 [0,0,0,0,0,1|1,0,1]=3 239 B10R1.13 O=C(C1=NN=C(O)C=C1)O AK601861 [0,0,0,0,0,1|1,0,1]=3 240 B10R1.13 O=C(N)C1=NC=C(Cl)C=C1 AK142780 [0,0,0,0,0,1|3,0,0]=4 241 B10R1.13 O=C(N)C1=NC=C(F)C=C1 AK110171 [0,0,0,0,0,1|3,0,0]=4 242 B10R1.13 O=C(O)C1=CC=C(C)C=C1 AK106262 [0,0,0,0,0,1|2,0,0]=3 243 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 AK-44086 [0,0,0,0,0,1|3,0,0]=4 244 B10R1.13 O=C(O)C1=CC=C(I)C=C1 AK-73094 [0,0,0,0,0,1|3,0,0]=4 245 B10R1.13 O=C(O)C1=CC=C(N)C=C1 AK-41178 [0,0,0,0,0,1|3,0,0]=4 246 B10R1.13 O=C(O)C1=CC=C(O)C=C1 AK106263 [0,0,0,0,0,1|3,0,0]=4 247 B10R1.13 O=C(O)C1=CN=C(C)C=C1 AK-29149 [0,0,0,0,0,1|1,0,1]=3 248 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 AK-26081 [0,0,0,0,0,1|2,0,1]=4 249 B10R1.13 O=C(O)C1=CNC(C=C1)=O AK-26034 [0,0,0,0,0,1|2,0,0]=3 250 B10R1.13 O=C(O)C1=NC=C(O)C=C1 AK-24769 [0,0,0,0,0,1|2,0,0]=3 251 B10R1.13 O=C1C=CC(C(O)=O)=CO1 AK-46024 [0,0,0,0,0,1|3,0,0]=4 252 B10R1.13 O=S(C1=CC=C(C)C=C1)O AK143296 [0,0,0,0,0,1|3,0,0]=4 253 B10R1.13 OC(=O)C1=CC=C(Br)N=C1 AK-26208 [0,0,0,0,0,1|2,0,1]=4 254 B10R1.13 OC(=O)C1=NC=C(Cl)C=N1 AK-64297 [0,0,0,0,0,1|2,0,0]=3 255 B10R1.13 OC(=O)C1=NC=C(I)C=C1 AK-29144 [0,0,0,0,0,1|2,0,0]=3 256 B10R1.54 CC(NC1=NNC(C)=C1)=O AK-86539 [0,0,0,0,0,1|1,0,0]=2 257 B10R1.54 O=C(O)CC1=NNC(N)=C1 AK-33707 [0,0,0,0,0,1|1,0,0]=2 258 B10R1.54 O=C(O)CC1=NNC(N)=N1 AK-97404 [0,0,0,0,0,1|2,0,0]=3 259 B10R1.54 O=C(O)CN1N=CC(Br)=C1 AK124568 [0,0,0,0,0,1|3,0,0]=4 260 B10R1.54 O=C(O)CN1N=CC(C)=C1 AK121453 [0,0,0,0,0,1|2,0,0]=3 261 B10R1.54 O=C(O)CN1N=CC(Cl)=C1 AK121290 [0,0,0,0,0,1|3,0,0]=4 262 B10R1.113 C(C)(=O)C1=CC(=CN=C1)Br AK-25899 [0,0,0,0,0,1|3,0,0]=4 263 B10R1.113 C(C)(=O)C1=CC(=NC=C1)C AK-26955 [0,0,0,0,0,1|2,0,1]=4 264 B10R1.113 C1=C(C=C(C=N1)B(O)O)C AK-27227 [0,0,0,0,0,1|2,0,1]=4 265 B10R1.113 C1=C(C=C(N=C1)N)C(=O)O AK-25375 [0,0,0,0,0,1|2,0,1]=4 266 B10R1.113 C1=C(C=CC=C1Cl)C(O)=O AK-43975 [0,0,0,0,0,1|3,0,0]=4 267 B10R1.113 C1=C(C=CC=C1F)C(O)=O AK-53854 [0,0,0,0,0,1|3,0,0]=4 268 B10R1.113 C1=C(C=NC=C1Br)C(N)=O AK-34529 [0,0,0,0,0,1|3,0,0]=4 269 B10R1.113 C1=C(C=NC=C1C(O)=O)F AK-25931 [0,0,0,0,0,1|2,0,0]=3 270 B10R1.113 C1=C(C=NC=C1C)C(O)=O AK-23837 [0,0,0,0,0,1|1,0,0]=2 271 B10R1.113 C1=C(C=NC=C1Cl)C(O)=O AK-25160 [0,0,0,0,0,1|2,0,0]=3 272 B10R1.113 C1=CC=C(N=C1C(O)=O)C AK-27736 [0,0,0,0,0,1|3,0,0]=4 273 B10R1.113 C1=NC=C(C=C1C(=O)N)N AK-26169 [0,0,0,0,0,1|3,0,0]=4 274 B10R1.113 C1=NC=C(Cl)N=C1C(=O)O AK-27777 [0,0,0,0,0,1|3,0,0]=4 275 B10R1.113 C1=NC=C(N=C1C(=O)O)C AK-26120 [0,0,0,0,0,1|2,0,0]=3 276 B10R1.113 CC(C1=CC(F)=CN=C1)=O AK101043 [0,0,0,0,0,1|3,0,0]=4 277 B10R1.113 CC(C1=CC=CC(C)=C1)=O AK143347 [0,0,0,0,0,1|3,0,0]=4 278 B10R1.113 CC(C1=NC=CC(C)=C1)=O AK-61872 [0,0,0,0,0,1|2,0,0]=3 279 B10R1.113 CC(C1=NC=CC(Cl)=C1)=O AK-30041 [0,0,0,0,0,1|3,0,0]=4 280 B10R1.113 CC(C1=NC=NC(C)=C1)=O AK-78932 [0,0,0,0,0,1|1,0,1]=3 281 B10R1.113 CC1=CC(=NC=C1)[N+]([O-])=O AK-33823 [0,0,0,0,0,1|2,0,1]=4 282 B10R1.113 CC1=CC=NC(=C1)C(=O)O AK-30381 [0,0,0,0,0,1|1,0,0]=2 283 B10R1.113 CC1=CC=NC(=N1)C(O)=O AK-36910 [0,0,0,0,0,1|2,0,0]=3 284 B10R1.113 CC1=NC=CC(=N1)C(=O)O AK-23648 [0,0,0,0,0,1|2,0,1]=4 285 B10R1.113 N=C(N)C1=NC=CC(C)=C1 AK130218 [0,0,0,0,0,1|3,0,0]=4 286 B10R1.113 NC1=CC=NC(=C1)C(=O)O AK-72771 [0,0,0,0,0,1|2,0,0]=3 287 B10R1.113 NC1=CN=CC(=C1)C(O)=O AK-34306 [0,0,0,0,0,1|2,0,0]=3 288 B10R1.113 NC1=CN=CC(=N1)C(=O)O AK-30537 [0,0,0,0,0,1|3,0,0]=4 289 B10R1.113 O=C(C1=CC(=O)N=CN1)O AK-24985 [0,0,0,0,0,1|1,0,2]=4 290 B10R1.113 O=C(C1=NC(Br)=CN=C1)O AK158200 [0,0,0,0,0,1|3,0,0]=4 291 B10R1.113 O=C(C1=NC=CC(Br)=C1)O AK-23753 [0,0,0,0,0,1|2,0,0]=3 292 B10R1.113 O=C(C1=NC=NC(C)=C1)O AK114394 [0,0,0,0,0,1|0,0,1]=2 293 B10R1.113 O=C(C1=NN=CC(Cl)=C1)O AK398901 [0,0,0,0,0,1|1,0,1]=3 294 B10R1.113 O=C(C=1C=CNC(C1)=O)O AK-75663 [0,0,0,0,0,1|2,0,0]=3 295 B10R1.113 O=C(C=1C=CNC(C1)=S)O AK161760 [0,0,0,0,0,1|2,0,0]=3 296 B10R1.113 O=C(N)C1=NC=CC(N)=C1 AK103735 [0,0,0,0,0,1|3,0,0]=4 297 B10R1.113 O=C(O)C1=CC=CC(Br)=C1 AK-77039 [0,0,0,0,0,1|3,0,0]=4 298 B10R1.113 O=C(O)C1=CC=CC(C)=C1 AK116994 [0,0,0,0,0,1|2,0,0]=3 299 B10R1.113 O=C(O)C1=CC=CC(I)=C1 AK-40488 [0,0,0,0,0,1|3,0,0]=4 300 B10R1.113 O=C(O)C1=CC=CC(N)=C1 AK-41177 [0,0,0,0,0,1|3,0,0]=4 301 B10R1.113 O=C(O)C1=CC=CC(O)=C1 AK-50288 [0,0,0,0,0,1|3,0,0]=4 302 B10R1.113 O=C(O)C1=CC=NC(Br)=C1 AK-26241 [0,0,0,0,0,1|2,0,1]=4 303 B10R1.113 O=C(O)C1=CC=NC(C)=C1 AK-23516 [0,0,0,0,0,1|1,0,1]=3 304 B10R1.113 O=C(O)C1=CC=NC(O)=C1 AK-27187 [0,0,0,0,0,1|2,0,1]=4 305 B10R1.113 O=C(O)C1=CN=CC(Br)=C1 AK-25583 [0,0,0,0,0,1|2,0,0]=3 306 B10R1.113 O=C(O)C1=CN=CC(I)=C1 AK-28811 [0,0,0,0,0,1|2,0,0]=3 307 B10R1.113 O=C(O)C1=CN=CC(O)=C1 AK-25698 [0,0,0,0,0,1|2,0,0]=3 308 B10R1.113 O=C(O)C1=NC=CC(Cl)=C1 AK-23768 [0,0,0,0,0,1|2,0,0]=3 309 B10R1.113 O=C(O)C1=NC=CC(I)=C1 AK-30405 [0,0,0,0,0,1|2,0,0]=3 310 B10R1.113 O=C1NN=CC(=C1)C(=O)O AK-26372 [0,0,0,0,0,1|1,0,0]=2 311 B10R1.113 OC(=O)C1=CC(Cl)=NC=C1 AK-26209 [0,0,0,0,0,1|2,0,1]=4 312 B10R1.113 OC(=O)C1=CC(F)=NC=C1 AK-25930 [0,0,0,0,0,1|2,0,1]=4 313 B10R1.113 OC(=O)C1=NC=NC(Cl)=C1 AK-29233 [0,0,0,0,0,1|1,0,1]=3 314 B7R0.6 O=C(O)\C=C/C(N)=O AK169998 [1,0,1,0,0,0|1,0,0]=3 315 B7R0.6 O=C(O)\C=C\C(O)=O AK115563 [1,0,1,0,0,0|2,0,0]=4 316 B7R1.1 C1=C(N=CS1)C=O AK-23930 [2,0,0,0,0,0|2,0,0]=4 317 B7R1.1 C1=C(SC=C1)C=O AK-26482 [2,0,0,0,0,0|2,0,0]=4 318 B7R1.1 C1=CN=C(C=O)[NH]1 AK-49186 [2,0,0,0,0,0|2,0,0]=4 319 B7R1.1 C1=CSC(=N1)C=O AK-46309 [2,0,0,0,0,0|2,0,0]=4 320 B7R1.1 NCC1=NNC=C1 AK-25875 [2,0,0,0,0,0|1,0,1]=4 321 B7R1.1 O=CC1=CC=CN1 AK-25235 [2,0,0,0,0,0|1,0,1]=4 322 B7R1.1 O=CC1=CNC=C1 AK-36182 [2,0,0,0,0,0|1,0,0]=3 323 B7R1.1 O=CC1=CNN=C1 AK-25836 [2,0,0,0,0,0|2,0,0]=4 324 B7R1.1 O=CC1=CNN=C1 AK158761 [2,0,0,0,0,0|2,0,0]=4 325 B7R1.1 O=CC1=CSC=C1 AK-42964 [2,0,0,0,0,0|2,0,0]=4 326 B7R1.1 OCC1=NOC=C1 AK-25087 [2,0,0,0,0,0|1,0,1]=4 327 B7R1.1 [NH]1C=CC(=N1)C#N AK-30564 [2,0,0,0,0,0|1,0,1]=4 328 B7R1.1 [NH]1C=CC(=N1)C=O AK-25900 [2,0,0,0,0,0|0,0,0]=2 329 B7R1.2 C1=C(C)[NH]N=C1C AK-50030 [2,0,0,0,0,0|0,0,1]=3 330 B7R1.2 CC1=CC(Br)=NN1 AK-49142 [2,0,0,0,0,0|1,0,0]=3 331 B7R1.2 CC1=CC(Br)=NO1 AK-34396 [2,0,0,0,0,0|2,0,0]=4 332 B7R1.2 CC1=CC(I)=NN1 AK100667 [2,0,0,0,0,0|1,0,0]=3 333 B7R1.2 CC1=CC(N)=NO1 AK-32792 [2,0,0,0,0,0|2,0,0]=4 334 B7R1.2 CC1=NNC(Br)=C1 AK100666 [2,0,0,0,0,0|1,0,1]=4 335 B7R1.2 CC1=NNC(Cl)=C1 AK-80228 [2,0,0,0,0,0|1,0,1]=4 336 B7R1.2 CC1=NNC(N)=C1 AK111310 [2,0,0,0,0,0|1,0,1]=4 337 B7R1.2 NC1=CC(Br)=NN1 AK-48862 [2,0,0,0,0,0|2,0,0]=4 338 B7R1.2 NC1=CC(Cl)=NN1 AK100252 [2,0,0,0,0,0|2,0,0]=4 339 B7R1.2 NC1=NNC(C)=C1 AK-29128 [2,0,0,0,0,0|1,0,0]=3 340 B7R1.2 O=C1C=C(NN1)N AK-40891 [2,0,0,0,0,0|1,0,1]=4 341 B7R1.2 O=C1COC(C)=C1 AK142223 [2,0,0,0,0,0|2,0,0]=4 342 B7R1.2 O=C1NNC(C)=C1 AK-25972 [2,0,0,0,0,0|0,0,1]=3 343 B7R1.2 O=C1NOC(C)=C1 AK158281 [2,0,0,0,0,0|1,0,1]=4 344 B7R1.2 OC1=NSC(Cl)=C1 AK-80655 [2,0,0,0,0,0|2,0,0]=4 345 B9R1.22 O=CC1=C(C)SC(C)=C1 AK142164 [1,1,0,0,0,0|2,0,0]=4 346 B9R1.22 O=CC1=CC(C)=NN1C AK-29932 [1,1,0,0,0,0|0,0,2]=4 347 B9R1.23 NCC1=NN(C)C(C)=C1 AK-85664 [1,1,0,0,0,0|1,0,1]=4 348 B9R1.23 O=CC1=NC(C)=C(C)S1 AK-64606 [1,1,0,0,0,0|2,0,0]=4 349 B9R1.23 OCC1=NN(C)C(C)=C1 AK-51125 [1,1,0,0,0,0|0,0,1]=3 350 B9R1.11 COC(=O)C1=CNC=C1 AK-39320 [1,1,0,0,0,0|1,0,0]=3 351 B9R1.11 COC(=O)C1=COC=N1 AK100835 [1,1,0,0,0,0|2,0,0]=4 352 B9R1.11 COC(=O)C1=NC=CO1 AK109950 [1,1,0,0,0,0|2,0,0]=4 353 B9R1.11 O=C(C1=CC=CN1)OC AK-27729 [1,1,0,0,0,0|1,0,1]=4 354 B9R1.11 O=C(C1=CC=CS1)OC AK-48323 [1,1,0,0,0,0|2,0,0]=4 355 B9R1.11 O=C(C1=CNN=C1)OC AK-65272 [1,1,0,0,0,0|2,0,0]=4 356 B9R1.11 O=C(C1=CSC=C1)OC AK-48045 [1,1,0,0,0,0|2,0,0]=4 357 B9R1.11 O=C(C1=CSC=N1)OC AK-21853 [1,1,0,0,0,0|2,0,0]=4 358 B9R1.11 O=C(C1=NC=CN1)OC AK-59662 [1,1,0,0,0,0|2,0,0]=4 359 B9R1.11 O=C(C1=NC=CS1)OC AK-50497 [1,1,0,0,0,0|2,0,0]=4 360 B9R1.11 O=C(C1=NNC=C1)OC AK-31981 [1,1,0,0,0,0|0,0,0]=2 361 B9R1.11 O=C(C1=NNC=N1)OC AK-30559 [1,1,0,0,0,0|1,0,0]=3 362 B9R1.41 BrC1=C[NH]N=C1C(=O)N AK-39986 [1,1,0,0,0,0|1,0,0]=3 363 B9R1.41 CC1=C(C=CN1)C(O)=O AK-77215 [1,1,0,0,0,0|1,0,0]=3 364 B9R1.41 CC1=C(OC=C1)C(O)=O AK-89342 [1,1,0,0,0,0|2,0,0]=4 365 B9R1.41 ClC1=C(C=CS1)C(=O)O AK-29355 [1,1,0,0,0,0|2,0,0]=4 366 B9R1.41 FC1=C(SC=C1)C(=O)O AK-29153 [1,1,0,0,0,0|2,0,0]=4 367 B9R1.41 O=C(C1=C(Br)C=CS1)O AK-29480 [1,1,0,0,0,0|2,0,0]=4 368 B9R1.41 O=C(C1=C(Br)C=NN1)O AK-59621 [1,1,0,0,0,0|0,0,2]=4 369 B9R1.41 O=C(C1=C(Br)SC=C1)O AK-34310 [1,1,0,0,0,0|2,0,0]=4 370 B9R1.41 O=C(C1=C(Br)SC=N1)O AK-22047 [1,1,0,0,0,0|2,0,0]=4 371 B9R1.41 O=C(C1=C(C)C=CN1)O AK-36827 [1,1,0,0,0,0|1,0,1]=4 372 B9R1.41 O=C(C1=C(C)C=CS1)O AK-25644 [1,1,0,0,0,0|2,0,0]=4 373 B9R1.41 O=C(C1=C(C)C=NO1)O AK-25674 [1,1,0,0,0,0|1,0,1]=4 374 B9R1.41 O=C(C1=C(C)OC=N1)O AK-24069 [1,1,0,0,0,0|2,0,0]=4 375 B9R1.41 O=C(C1=C(C)SC=C1)O AK-33900 [1,1,0,0,0,0|2,0,0]=4 376 B9R1.41 O=C(C1=C(C)SC=N1)O AK-25323 [1,1,0,0,0,0|2,0,0]=4 377 B9R1.41 O=C(C1=C(Cl)C=NN1)O AK-75702 [1,1,0,0,0,0|0,0,2]=4 378 B9R1.41 O=C(C1=C(Cl)C=NS1)O AK314030 [1,1,0,0,0,0|1,0,1]=4 379 B9R1.41 O=C(C1=C(I)C=CS1)O AK167455 [1,1,0,0,0,0|2,0,0]=4 380 B9R1.41 O=C(C1=C(I)C=NN1)O AK-92905 [1,1,0,0,0,0|0,0,2]=4 381 B9R1.41 O=C(C1=CC=NN1C)O AK-33521 [1,1,0,0,0,0|0,0,2]=4 382 B9R1.41 O=C(C1=CNN=C1C)O AK-39586 [1,1,0,0,0,0|2,0,0]=4 383 B9R1.41 O=C(C1=CNN=C1N)O AK-46321 [1,1,0,0,0,0|2,0,0]=4 384 B9R1.41 O=C(C1=CSC=C1C)O AK-64461 [1,1,0,0,0,0|2,0,0]=4 385 B9R1.41 O=C(C1=NC=CN1C)O AK-28560 [1,1,0,0,0,0|2,0,0]=4 386 B9R1.41 O=C(C1=NNC=C1Br)O AK-46340 [1,1,0,0,0,0|0,0,0]=2 387 B9R1.41 O=C(C1=NOC=C1C)O AK101261 [1,1,0,0,0,0|1,0,0]=3 388 B9R1.41 O=C(C1=NON=C1N)O AK-46296 [1,1,0,0,0,0|2,0,0]=4 389 B9R1.41 O=[N+](C1=NNC=C1Br)[O-] AK-41737 [1,1,0,0,0,0|1,0,1]=4 390 B9R1.41 O=[N+](C1=NNC=C1C)[O-] AK161464 [1,1,0,0,0,0|1,0,1]=4 391 B9R1.41 OC(=O)C1=C(Br)C=CO1 AK110945 [1,1,0,0,0,0|2,0,0]=4 392 B9R1.41 OC(=O)C1=C(Cl)C=CS1 AK-48375 [1,1,0,0,0,0|2,0,0]=4 393 B9R1.41 OC(=O)C1=C(Cl)NN=C1 AK-99982 [1,1,0,0,0,0|2,0,0]=4 394 B11R1.3 C1=C(C=CC(=C1)CN)C(O)=O AK-35678 [0,1,0,0,0,1|2,0,0]=4 395 B11R1.3 C1=CC(=CC=C1C(O)=O)CO AK-25734 [0,1,0,0,0,1|2,0,0]=4 396 B11R1.3 CCC1=CN=C(C=C1)C(O)=O AK-29521 [0,1,0,0,0,1|1,0,0]=3 397 B11R1.3 COC1=CN=C(C=C1)C(=O)O AK-29097 [0,1,0,0,0,1|1,0,0]=3 398 B11R1.3 COC1=CN=C(C=N1)C(=O)O AK-25141 [0,1,0,0,0,1|1,0,0]=3 399 B11R1.3 O=C(C1=CN=C(NC)N=C1)O AK115951 [0,1,0,0,0,1|1,0,1]=4 400 B11R1.3 O=C(C1=CN=C(OC)C=C1)O AK-30103 [0,1,0,0,0,1|1,0,1]=4 401 B11R1.3 O=C(C1=CN=C(SC)N=C1)O AK-26821 [0,1,0,0,0,1|1,0,1]=4 402 B11R1.3 O=C(C1=NC=C(C#N)N=C1)O AK137311 [0,1,0,0,0,1|1,0,1]=4 403 B11R1.3 O=C(O)C1=CC=C(CC)C=C1 AK114313 [0,1,0,0,0,1|2,0,0]=4 404 B11R1.3 O=C(O)C1=CC=C(OC)C=C1 AK-41188 [0,1,0,0,0,1|2,0,0]=4 405 B11R1.3 O=C(O)C1=CN=C(CO)C=C1 AK123526 [0,1,0,0,0,1|1,0,1]=4 406 B11R1.3 O=C(O)C1=NC=C(CO)C=C1 AK127091 [0,1,0,0,0,1|1,0,0]=3 407 B11R1.21 BrC1=CN=C(C=C1C)C(=O)O AK-37510 [0,1,0,0,0,1|2,0,0]=4 408 B11R1.21 C1=C(C(=CC=C1C(=O)O)C)N AK-34321 [0,1,0,0,0,1|2,0,0]=4 409 B11R1.21 C1=C(C=CC(=C1Br)C)C(O)=O AK-36339 [0,1,0,0,0,1|2,0,0]=4 410 B11R1.21 C1=C(C=CC(=C1F)C)C(O)=O AK-34796 [0,1,0,0,0,1|2,0,0]=4 411 B11R1.21 CC1=C(C)N=C(C=C1)C(O)=O AK-89986 [0,1,0,0,0,1|1,0,0]=3 412 B11R1.21 CC1=C(F)C=CC(=N1)C(O)=O AK-38458 [0,1,0,0,0,1|2,0,0]=4 413 B11R1.21 CC1=CC(=CNC1=O)C(O)=O AK-78282 [0,1,0,0,0,1|2,0,0]=4 414 B11R1.21 O=C(C1=NC(Cl)=C(C)C=C1)O AK-76573 [0,1,0,0,0,1|1,0,0]=3 415 B11R1.21 O=C(C1=NC(Cl)=C(Cl)N=C1)O AK133010 [0,1,0,0,0,1|2,0,0]=4 416 B11R1.21 O=C(C=1C=CC(N(C1)C)=O)O AK-34900 [0,1,0,0,0,1|2,0,0]=4 417 B11R1.21 O=C(O)C1=CC=C(C)C(Cl)=C1 AK-73060 [0,1,0,0,0,1|2,0,0]=4 418 B11R1.21 O=C(O)C1=CC=C(C)C(I)=C1 AK-51540 [0,1,0,0,0,1|2,0,0]=4 419 B11R1.21 O=C(O)C1=CC=C(C)C(O)=C1 AK-61869 [0,1,0,0,0,1|2,0,0]=4 420 B11R1.21 O=C(O)C1=NC(Br)=C(C)C=C1 AK138206 [0,1,0,0,0,1|1,0,0]=3 421 B11R1.21 O=C(O)C1=NC(Br)=C(Cl)C=C1 AK-53664 [0,1,0,0,0,1|2,0,0]=4 422 B11R1.21 O=C(O)C1=NC(Br)=C(F)C=C1 AK-53910 [0,1,0,0,0,1|2,0,0]=4 423 B11R1.21 O=C(O)C1=NC(C)=C(Br)C=C1 AK-61563 [0,1,0,0,0,1|2,0,0]=4 424 B11R1.21 O=C(O)C1=NC(Cl)=C(Cl)C=C1 AK-53898 [0,1,0,0,0,1|2,0,0]=4 425 B11R1.21 O=C(O)C1=NC(Cl)=C(F)C=C1 AK-53913 [0,1,0,0,0,1|2,0,0]=4 426 B11R1.21 O=C(O)C1=NC(O)=C(Br)C=C1 AK-92903 [0,1,0,0,0,1|2,0,0]=4 427 B11R1.21 O=C(O)C1=NC=C(Br)C(Cl)=C1 AK-55136 [0,1,0,0,0,1|2,0,0]=4 428 B11R1.21 O=C(O)C1=NC=C(C)C(Br)=C1 AK137974 [0,1,0,0,0,1|1,0,0]=3 429 B11R1.21 OC(=O)C1=NC=C(Cl)C(Cl)=C1 AK-67884 [0,1,0,0,0,1|2,0,0]=4 430 B11R1.22 BrC1=CN=C(C=N1)C(=O)OC AK-24801 [0,1,0,0,0,1|2,0,0]=4 431 B11R1.22 C1=CC(=CN=C1C(OC)=O)Br AK-25721 [0,1,0,0,0,1|2,0,0]=4 432 B11R1.22 COC(C1=NC=C(C=N1)Br)=O AK-28412 [0,1,0,0,0,1|2,0,0]=4 433 B11R1.22 ClC1=CC=C(N=N1)C(=O)OC AK-24016 [0,1,0,0,0,1|1,0,1]=4 434 B11R1.22 ClC1=CN=C(C=N1)C(=O)OC AK-23920 [0,1,0,0,0,1|2,0,0]=4 435 B11R1.22 NC1=CN=C(C=C1)C(=O)OC AK-24592 [0,1,0,0,0,1|2,0,0]=4 436 B11R1.22 O=C(C1=CNC(N=C1)=O)OC AK138906 [0,1,0,0,0,1|2,0,0]=4 437 B11R1.22 O=C(C1=NC=C(Cl)C=C1)OC AK-33121 [0,1,0,0,0,1|2,0,0]=4 438 B11R1.22 O=C(C1=NC=C(F)C=N1)OC AK128119 [0,1,0,0,0,1|2,0,0]=4 439 B11R1.22 O=C(C1=NC=C(N)N=C1)OC AK-59002 [0,1,0,0,0,1|2,0,0]=4 440 B11R1.22 O=C(C1=NC=C(O)C=C1)OC AK-48134 [0,1,0,0,0,1|2,0,0]=4 441 B11R1.22 O=C(OC)C1=CC=C(C)C=C1 AK110414 [0,1,0,0,0,1|2,0,0]=4 442 B11R1.22 O=C(OC)C1=CN=C(C)C=C1 AK-28562 [0,1,0,0,0,1|1,0,1]=4 443 B11R1.22 O=C(OC)C1=NC=C(C)C=C1 AK-76225 [0,1,0,0,0,1|1,0,0]=3 444 B11R1.22 O=C1NN=C(C=C1)C(=O)OC AK-72777 [0,1,0,0,0,1|1,0,0]=3 445 B11R1.22 OC1=CN=C(C=N1)C(=O)OC AK-24812 [0,1,0,0,0,1|2,0,0]=4 446 B11R1.166 BrC1=CN=C(C(=C1)C)C(=O)O AK-26400 [0,1,0,0,0,1|2,0,0]=4 447 B11R1.166 C1=C(C(=CC=C1C)C(=O)O)N AK-25621 [0,1,0,0,0,1|2,0,0]=4 448 B11R1.166 C1=C(Cl)C=NC(=C1Cl)C(=O)O AK-24701 [0,1,0,0,0,1|2,0,0]=4 449 B11R1.166 C1=CC(=CC(=C1C(O)=O)C)C AK-47303 [0,1,0,0,0,1|2,0,0]=4 450 B11R1.166 C1=CC(=CC(=C1C(O)=O)F)C AK-26324 [0,1,0,0,0,1|2,0,0]=4 451 B11R1.166 C1=CC(=CC(=C1C(O)=O)O)C AK-73066 [0,1,0,0,0,1|2,0,0]=4 452 B11R1.166 CC1=NC(C)=C(C=N1)C(O)=O AK-36268 [0,1,0,0,0,1|1,0,1]=4 453 B11R1.166 ClC1=CN=C(C(=C1)C)C(=O)O AK-29698 [0,1,0,0,0,1|2,0,0]=4 454 B11R1.166 O=C(C1=NC=C(F)C=C1F)O AK-36274 [0,1,0,0,0,1|2,0,0]=4 455 B11R1.166 O=C(C=1C(O)=CC(NC1)=O)O AK-27721 [0,1,0,0,0,1|2,0,0]=4 456 B11R1.166 O=C(O)C1=C(Cl)N=C(C)C=C1 AK-84877 [0,1,0,0,0,1|1,0,1]=4 457 B11R1.166 O=C(O)C1=CC=C(C)C=C1Br AK-36340 [0,1,0,0,0,1|2,0,0]=4 458 B11R1.166 O=C(O)C1=CC=C(C)C=C1Cl AK-36338 [0,1,0,0,0,1|2,0,0]=4 459 B11R1.166 O=C(O)C1=CC=C(C)C=C1I AK201253 [0,1,0,0,0,1|2,0,0]=4 460 B11R1.166 O=C(O)C1=CN=C(C)C=C1C AK-29000 [0,1,0,0,0,1|1,0,1]=4 461 B11R1.166 O=C(O)C1=CN=C(C)C=C1Cl AK-28459 [0,1,0,0,0,1|1,0,1]=4 462 B11R1.166 O=C(O)C1=CN=C(C)C=C1N AK-29804 [0,1,0,0,0,1|1,0,1]=4 463 B11R1.166 O=C(O)C1=NC=C(Br)C=C1Cl AK-53906 [0,1,0,0,0,1|2,0,0]=4 464 B11R1.166 O=C(O)C1=NC=C(C)C=C1Br AK-76925 [0,1,0,0,0,1|1,0,0]=3 465 B11R1.166 O=C(O)C1=NC=C(Cl)C=C1Br AK101091 [0,1,0,0,0,1|2,0,0]=4 466 B11R1.166 O=C(O)C1=NC=C(Cl)C=C1N AK120030 [0,1,0,0,0,1|2,0,0]=4 467 B11R1.166 O=C(O)C1=NC=C(F)C=C1Br AK-53675 [0,1,0,0,0,1|2,0,0]=4 468 B11R1.166 O=C1C(=CNC(N1)=O)C(O)=O AK-25649 [0,1,0,0,0,1|2,0,0]=4 469 B11R1.166 OC(=O)C1=C(F)C=C(Br)C=N1 AK-53915 [0,1,0,0,0,1|2,0,0]=4 470 B11R1.166 OC(=O)C1=NC=C(Br)C=C1Br AK-30252 [0,1,0,0,0,1|2,0,0]=4 471 B11R1.166 OC(=O)C1=NC=C(Cl)N=C1Cl AK-51403 [0,1,0,0,0,1|2,0,0]=4 472 B11R1.166 OC(=O)C1=NC=C(F)C=C1Cl AK109963 [0,1,0,0,0,1|2,0,0]=4 473 B11R1.166 OC1=CC(=NC=C1C(=O)O)C AK-25007 [0,1,0,0,0,1|1,0,1]=4 474 B11R1.166 S=C1NC(C(=CN1)C(O)=O)=O AK327607 [0,1,0,0,0,1|2,0,0]=4 475 B11R1.23 BrC1=CC(=NC=C1)C(=O)OC AK-24538 [0,1,0,0,0,1|2,0,0]=4 476 B11R1.23 C1=C(C=NC=C1C(OC)=O)Br AK-25229 [0,1,0,0,0,1|2,0,0]=4 477 B11R1.23 C1=C(C=NC=C1C)C(OC)=O AK-39649 [0,1,0,0,0,1|1,0,0]=3 478 B11R1.23 C1=C(Cl)C=CN=C1C(OC)=O AK-16616 [0,1,0,0,0,1|2,0,0]=4 479 B11R1.23 COC(=O)C1=CC(=O)NC=C1 AK-30181 [0,1,0,0,0,1|2,0,0]=4 480 B11R1.23 COC(=O)C1=CC(C)=NC=C1 AK-33626 [0,1,0,0,0,1|1,0,1]=4 481 B11R1.23 COC(=O)C1=NC(C)=CC=N1 AK100031 [0,1,0,0,0,1|2,0,0]=4 482 B11R1.23 COC(=O)C1=NC=CC(C)=C1 AK-58362 [0,1,0,0,0,1|1,0,0]=3 483 B11R1.23 COC(=O)C1=NC=CC(Cl)=C1 AK-25656 [0,1,0,0,0,1|2,0,0]=4 484 B11R1.23 ClC1=CC(=CN=N1)C(=O)OC AK-32830 [0,1,0,0,0,1|1,0,1]=4 485 B11R1.23 NC1=CC(=CN=C1)C(=O)OC AK-28608 [0,1,0,0,0,1|2,0,0]=4 486 B11R1.23 O=C(C1=NC(C)=CN=C1)OC AK130648 [0,1,0,0,0,1|2,0,0]=4 487 B11R1.23 O=C(C1=NC=CC(N)=C1)OC AK-36192 [0,1,0,0,0,1|2,0,0]=4 488 B11R1.23 O=C(C1=NC=NC(Br)=C1)OC AK152485 [0,1,0,0,0,1|1,0,1]=4 489 B11R1.23 O=C(C1=NC=NC(Cl)=C1)OC AK-64323 [0,1,0,0,0,1|1,0,1]=4 490 B11R1.23 O=C(OC)C1=NC=CC(I)=C1 AK-29979 [0,1,0,0,0,1|2,0,0]=4 491 B11R1.23 OC1=CC(=CN=C1)C(=O)OC AK-47062 [0,1,0,0,0,1|2,0,0]=4 492 B11R1.74 BrC1=CC(=CC(=C1)C(=O)O)C AK-35753 [0,1,0,0,0,1|2,0,0]=4 493 B11R1.74 C1=C(C=C(C=C1C(O)=O)C)C AK-45888 [0,1,0,0,0,1|2,0,0]=4 494 B11R1.74 C1=C(C=C(C=C1C(O)=O)F)C AK-35437 [0,1,0,0,0,1|2,0,0]=4 495 B11R1.74 CC1=CC(=CC(C)=N1)C(O)=O AK-29366 [0,1,0,0,0,1|1,0,1]=4 496 B11R1.74 CC1=CC(=CC(N)=C1)C(O)=O AK-34242 [0,1,0,0,0,1|2,0,0]=4 497 B11R1.74 ClC1=CC(=CC(=N1)C(=O)O)C AK-23860 [0,1,0,0,0,1|1,0,0]=3 498 B11R1.74 ClC1=CC(=NC(=C1)C(=O)O)Cl AK-32490 [0,1,0,0,0,1|2,0,0]=4 499 B11R1.74 O=C(C=1C=C(Cl)NC(C1)=O)O AK151344 [0,1,0,0,0,1|2,0,0]=4 500 B11R1.74 O=C(C=1NC(=O)NC(C1)=O)O AK-30280 [0,1,0,0,0,1|1,0,1]=4 501 B11R1.74 O=C(O)C1=CC(C)=CC(Cl)=C1 AK-75961 [0,1,0,0,0,1|2,0,0]=4 502 B11R1.74 O=C(O)C1=CC(C)=CC(O)=C1 AK-47209 [0,1,0,0,0,1|2,0,0]=4 503 B11R1.74 O=C(O)C1=CC(C)=NC(Cl)=C1 AK-25667 [0,1,0,0,0,1|1,0,1]=4 504 B11R1.74 O=C(O)C1=CC(C)=NC(O)=C1 AK-48984 [0,1,0,0,0,1|1,0,1]=4 505 B11R1.74 O=C(O)C1=NC(C)=CC(C)=C1 AK-33798 [0,1,0,0,0,1|1,0,0]=3 506 B11R1.74 O=C(O)C1=NC(C)=CC(Cl)=C1 AK174217 [0,1,0,0,0,1|2,0,0]=4 507 B11R1.74 O=C1NC(C=C(N1)C(O)=O)=O AK-94167 [0,1,0,0,0,1|1,0,1]=4 508 B11R1.155 O=S(C1=CC(C)=CN=C1)(O)=O AK-29286 [0,1,0,0,0,1|2,0,0]=4 509 B11R1.159 BrC1=C(C(=O)O)C=CC=C1C AK-28470 [0,1,0,0,0,1|2,0,0]=4 510 B11R1.159 C1=C(C(=C(C=C1)C)N)C(O)=O AK-35167 [0,1,0,0,0,1|2,0,0]=4 511 B11R1.159 C1=CC=C(C(=C1C(O)=O)C)C AK-26167 [0,1,0,0,0,1|2,0,0]=4 512 B11R1.159 CC1=CC=CC(C(O)=O)=C1I AK-61437 [0,1,0,0,0,1|2,0,0]=4 513 B11R1.159 O=C(C1=NC=NC(Cl)=C1Cl)O AK101579 [0,1,0,0,0,1|1,0,1]=4 514 B11R1.159 O=C(C1=NC=NC(N)=C1Cl)O AK-51545 [0,1,0,0,0,1|1,0,1]=4 515 B11R1.159 O=C(O)C1=CC=CC(C)=C1F AK-34640 [0,1,0,0,0,1|2,0,0]=4 516 B11R1.159 O=C(O)C1=CN=CC(Br)=C1Br AK127033 [0,1,0,0,0,1|2,0,0]=4 517 B11R1.159 O=C(O)C1=CN=CC(Br)=C1Cl AK144516 [0,1,0,0,0,1|2,0,0]=4 518 B11R1.159 O=C(O)C1=CN=CC(Br)=C1N AK112514 [0,1,0,0,0,1|2,0,0]=4 519 B11R1.159 O=C(O)C1=CN=CC(Br)=C1O AK-84818 [0,1,0,0,0,1|2,0,0]=4 520 B11R1.167 BrC1=C(C(=O)O)C=C(C=N1)Br AK-34554 [0,1,0,0,0,1|2,0,0]=4 521 B11R1.167 BrC1=CC(=C(N=C1)Cl)C(=O)O AK-23807 [0,1,0,0,0,1|2,0,0]=4 522 B11R1.167 BrC1=CC(=C(N=C1)F)C(=O)O AK-26870 [0,1,0,0,0,1|2,0,0]=4 523 B11R1.167 C1=C(C(=CC=C1C)Br)C(O)=O AK-30136 [0,1,0,0,0,1|2,0,0]=4 524 B11R1.167 C1=C(C(=CC=C1C)F)C(O)=O AK-34671 [0,1,0,0,0,1|2,0,0]=4 525 B11R1.167 C1=C(C(=NC=C1Br)N)C(=O)O AK-23512 [0,1,0,0,0,1|2,0,0]=4 526 B11R1.167 C1=C(C)C=CC(=C1C(O)=O)C AK-48911 [0,1,0,0,0,1|2,0,0]=4 527 B11R1.167 C1=C(C)C=CC(=C1C(O)=O)N AK-34555 [0,1,0,0,0,1|2,0,0]=4 528 B11R1.167 CC1=NC(C(O)=O)=C(C)N=C1 AK-80652 [0,1,0,0,0,1|2,0,0]=4 529 B11R1.167 CC1=NC=C(N)C(=C1)C(O)=O AK-55124 [0,1,0,0,0,1|1,0,1]=4 530 B11R1.167 ClC1=C(C(=O)O)C=C(C=N1)Cl AK-27047 [0,1,0,0,0,1|2,0,0]=4 531 B11R1.167 ClC1=C(C=C(N=N1)Cl)C(=O)O AK-35400 [0,1,0,0,0,1|1,0,1]=4 532 B11R1.167 ClC1=NC=C(C=C1C(=O)O)C AK-39746 [0,1,0,0,0,1|1,0,0]=3 533 B11R1.167 NC1=NC=C(C=C1C(=O)O)Cl AK-50594 [0,1,0,0,0,1|2,0,0]=4 534 B11R1.167 O=C(C1=CC(Br)=CNC1=O)O AK-27746 [0,1,0,0,0,1|2,0,0]=4 535 B11R1.167 O=C(C1=CC(Cl)=CN=C1C)O AK-41038 [0,1,0,0,0,1|2,0,0]=4 536 B11R1.167 O=C(C1=CC(Cl)=NN=C1O)O AK-48296 [0,1,0,0,0,1|1,0,1]=4 537 B11R1.167 O=C(O)C1=C(Br)N=CC(Cl)=C1 AK-36007 [0,1,0,0,0,1|2,0,0]=4 538 B11R1.167 O=C(O)C1=C(Cl)C=NC(C)=C1 AK123459 [0,1,0,0,0,1|1,0,1]=4 539 B11R1.167 O=C(O)C1=C(Cl)N=CC(F)=C1 AK-25888 [0,1,0,0,0,1|2,0,0]=4 540 B11R1.167 O=C(O)C1=C(Cl)N=CC(O)=C1 AK112903 [0,1,0,0,0,1|2,0,0]=4 541 B11R1.167 O=C(O)C1=C(F)C=NC(C)=C1 AK148000 [0,1,0,0,0,1|1,0,1]=4 542 B11R1.167 O=C(O)C1=C(F)N=CC(C)=C1 AK-61406 [0,1,0,0,0,1|1,0,0]=3 543 B11R1.167 O=C(O)C1=C(N)N=CC(C)=C1 AK-29345 [0,1,0,0,0,1|1,0,0]=3 544 B11R1.167 O=C(O)C1=C(N)N=CC(I)=C1 AK-68339 [0,1,0,0,0,1|2,0,0]=4 545 B11R1.167 O=C(O)C1=CC(C)=CC=C1Cl AK-35943 [0,1,0,0,0,1|2,0,0]=4 546 B11R1.167 O=C(O)C1=CC(C)=CC=C1I AK-35485 [0,1,0,0,0,1|2,0,0]=4 547 B11R1.167 OC1=CC=C(C)C=C1C(O)=O AK-48577 [0,1,0,0,0,1|2,0,0]=4 548 B11R1.266 C1=C(C(=O)O)C=CC=C1CCl AK-34651 [0,1,0,0,0,1|2,0,0]=4 549 B11R1.266 COC1=CC(=CN=C1)C(=O)O AK-40655 [0,1,0,0,0,1|1,0,0]=3 550 B11R1.266 COC1=NC(=CN=C1)C(O)=O AK-66990 [0,1,0,0,0,1|2,0,0]=4 551 B11R1.266 COC1=NC=NC(=C1)C(O)=O AK-86070 [0,1,0,0,0,1|0,0,1]=3 552 B11R1.266 NCC1=CC=CC(=C1)C(=O)O AK-36663 [0,1,0,0,0,1|2,0,0]=4 553 B11R1.266 O=C(C1=NC(NC)=CN=C1)O AK-35586 [0,1,0,0,0,1|2,0,0]=4 554 B11R1.266 O=C(C1=NC=CC(OC)=N1)O AK-37494 [0,1,0,0,0,1|2,0,0]=4 555 B11R1.266 O=C(O)C1=CC=CC(CBr)=C1 AK-35991 [0,1,0,0,0,1|2,0,0]=4 556 B11R1.266 O=C(O)C1=CC=CC(NC)=C1 AK164024 [0,1,0,0,0,1|2,0,0]=4 557 B11R1.266 O=C(O)C1=CC=CC(OC)=C1 AK159192 [0,1,0,0,0,1|2,0,0]=4 558 B11R1.266 O=C(O)C1=CC=NC(OC)=C1 AK-26853 [0,1,0,0,0,1|1,0,1]=4 559 B11R1.266 O=C(O)C1=NC=CC(OC)=C1 AK-29096 [0,1,0,0,0,1|1,0,0]=3 560 B11R1.266 OCC1=CC=CC(=C1)C(O)=O AK-34506 [0,1,0,0,0,1|2,0,0]=4 561 B11R1.15 BrC1=NC(=N[NH]1)C(=O)OCC AK-24830 [0,2,0,0,0,0|2,0,0]=4 562 B11R1.15 C1=C(C)[NH]N=C1C(OCC)=O AK-30389 [0,2,0,0,0,0|0,0,0]=2 563 B11R1.15 CCOC(=O)C1=NOC(N)=C1 AK-90028 [0,2,0,0,0,0|2,0,0]=4 564 B11R1.15 ClC1=NC(=N[NH]1)C(=O)OCC AK-24831 [0,2,0,0,0,0|2,0,0]=4 565 B11R1.15 N#CCC(C1=NOC(C)=C1)=O AK-57371 [0,2,0,0,0,0|2,0,0]=4 566 B11R1.15 O=C(C1=CC(C)=NO1)OCC AK-76671 [0,2,0,0,0,0|1,0,1]=4 567 B11R1.15 O=C(C1=CC(NN1)=O)OCC AK139789 [0,2,0,0,0,0|1,0,1]=4 568 B11R1.15 O=C(C1=NN=C(C)S1)OCC AK172694 [0,2,0,0,0,0|1,0,1]=4 569 B11R1.15 O=C(C1=NNC(Br)=C1)OCC AK134617 [0,2,0,0,0,0|1,0,0]=3 570 B11R1.15 O=C(C1=NNC(C)=N1)OCC AK-43223 [0,2,0,0,0,0|1,0,0]=3 571 B11R1.15 O=C(C1=NNC(N)=C1)OCC AK-26947 [0,2,0,0,0,0|1,0,0]=3 572 B11R1.15 O=C(C1=NNC(O)=C1)OCC AK-78074 [0,2,0,0,0,0|1,0,0]=3 573 B11R1.15 O=C(C=1CC(NN1)=O)OCC AK-30336 [0,2,0,0,0,0|1,0,1]=4 574 B11R1.44 COC(=O)C1=CC(=N[NH]1)CC AK-26351 [0,2,0,0,0,0|0,0,2]=4 575 B11R1.225 O=C(C1=C(Br)NC(Br)=C1)OC AK151326 [0,2,0,0,0,0|2,0,0]=4 576 B11R1.225 O=C(C1=C(N)SC(C)=C1)OC AK-33917 [0,2,0,0,0,0|2,0,0]=4 577 B11R1.225 O=C(C1=CC(C)=NN1C)OC AK133239 [0,2,0,0,0,0|0,0,2]=4 578 B11R1.226 O=C(C1=NN(C)C(Br)=C1)OC AK146866 [0,2,0,0,0,0|1,0,0]=3 579 B11R1.226 O=C(C1=NN(C)C(N)=C1)OC AK-51032 [0,2,0,0,0,0|1,0,0]=3 580 B11R1.226 O=C(C1=NN(C)C(O)=C1)OC AK-40521 [0,2,0,0,0,0|1,0,0]=3 581 B11R1.865 C1=C(C(=C(S1)C(OC)=O)N)C AK-27691 [0,2,0,0,0,0|2,0,0]=4 582 B11R1.865 COC(=O)C1=CSC(C)=C1N AK-80920 [0,2,0,0,0,0|2,0,0]=4 583 B11R1.865 O=C(C1=C(N)C(C)=NN1)OC AK535250 [0,2,0,0,0,0|0,0,2]=4 584 B11R1.48 O=C(C1=NN(C)C(OC)=C1)O AK-68373 [0,2,0,0,0,0|0,0,0]=2 585 B11R1.48 O=C(C1=NN(CC)C(C)=C1)O AK174126 [0,2,0,0,0,0|0,0,0]=2 586 B11R1.50 O=C(C1=CC(OC)=NN1C)O AK-68285 [0,2,0,0,0,0|0,0,2]=4 587 B11R1.175 CC(C)C1=CC(=NN1)C(O)=O AK-36894 [0,2,0,0,0,0|0,0,0]=2 588 B11R1.175 O=C(C1=NNC(C(N)=O)=C1)N AK139044 [0,2,0,0,0,0|1,0,1]=4 589 B11R1.175 O=C(C1=NNC(C(O)=O)=C1)O AK-44214 [0,2,0,0,0,0|0,0,1]=3 590 B11R1.175 O=C(C1=NNC([N+]([O-])=O)=C1)O AK-32094 [0,2,0,0,0,0|1,0,0]=3 591 B11R1.175 O=C(C1=NNC([N+]([O-])=O)=C1)O AK151136 [0,2,0,0,0,0|1,0,0]=3 592 B11R1.175 [NH]1C(=CC(=N1)C(=O)O)C(=O)O AK-89746 [0,2,0,0,0,0|0,0,1]=3 593 B11R1.49 O=C(C1=CC(C)=NN1CC)O AK165900 [0,2,0,0,0,0|0,0,2]=4 594 B11R1.673 CC1=C(C)C(C(O)=O)=C(N)S1 AK-45616 [0,2,0,0,0,0|2,0,0]=4 595 B9R1.6 C1=C(N=NC=C1)C(O)=O AK-28139 [0,0,1,1,0,0|0,0,2]=4 596 B9R1.6 C1=NC=CN=C1C(O)=O AK-47505 [0,0,1,1,0,0|2,0,0]=4 597 B9R1.6 O=C(O)C1=NC=CC=C1 AK-50286 [0,0,1,1,0,0|1,0,1]=4 598 B9R1.2 CC1=CC(=CN=C1)C=O AK-28384 [1,0,0,0,0,1|1,0,0]=3 599 B9R1.2 CC1=CC(=NC=C1)C=O AK-24250 [1,0,0,0,0,1|1,0,0]=3 600 B9R1.2 CC1=CC(CO)=NC=C1 AK-74173 [1,0,0,0,0,1|1,0,1]=4 601 B9R1.2 FC1=CC(=CN=C1)C=O AK-30355 [1,0,0,0,0,1|2,0,0]=4 602 B9R1.2 FC1=CC(C=O)=NC=C1 AK-32767 [1,0,0,0,0,1|2,0,0]=4 603 B9R1.2 O=CC1=CC=NC(C)=C1 AK-30085 [1,0,0,0,0,1|1,0,1]=4 604 B9R1.2 O=CC1=CN=CC(Br)=C1 AK-25300 [1,0,0,0,0,1|2,0,0]=4 605 B9R1.2 O=CC1=CN=CC(O)=C1 AK139755 [1,0,0,0,0,1|2,0,0]=4 606 B9R1.2 O=CC1=NC=CC(Br)=C1 AK-29828 [1,0,0,0,0,1|2,0,0]=4 607 B9R1.2 OCC1=CC(C)=CN=C1 AK130310 [1,0,0,0,0,1|1,0,1]=4 608 B9R1.13 O=C(O)CC1=CC=CO1 AK126664 [1,0,0,0,0,1|2,0,0]=4 609 B9R1.13 O=C(O)CC1=NNC=C1 AK153425 [1,0,0,0,0,1|0,0,0]=2 610 B11R1.20 BrC1=CN=C(C=C1)CC(=O)O AK-46600 [0,0,0,0,0,2|2,0,0]=4 611 B11R1.20 O=C(O)CC1=CC=C(C)C=C1 AK-45538 [0,0,0,0,0,2|2,0,0]=4 612 B11R1.20 O=C(O)CC1=NC=C(C)C=C1 AK139129 [0,0,0,0,0,2|1,0,0]=3 613 B11R1.20 O=C(O)CC1=NC=C(F)C=N1 AK-43706 [0,0,0,0,0,2|2,0,0]=4 614 B11R1.157 O=C(O)CC1=CC(F)=CN=C1 AK113021 [0,0,0,0,0,2|2,0,0]=4 615 B11R1.157 O=C(O)CC1=NC=CC(C)=C1 AK-68184 [0,0,0,0,0,2|1,0,0]=3 616 B11R1.157 O=C(O)CC1=NC=CC(Cl)=C1 AK164883 [0,0,0,0,0,2|2,0,0]=4