0 B7R0.4 COCCCC(O)=O AK-76729 [0,0,0,0,0,0|1,0,3]=4 1 B7R0.4 C\C=C\C=C\C([O-])=O AK-47286 [0,0,0,0,0,0|0,0,1]=1 2 B7R0.4 O=C(O)\C=C\OCC AK-46090 [0,0,0,0,0,0|1,0,1]=2 3 B6R0.4 O=C(O)CCNC AK155866 [1,0,0,0,0,0|1,0,2]=4 4 B6R0.4 O=C(O)CCOC AK-88477 [1,0,0,0,0,0|1,0,2]=4 5 B6R0.6 C\C=C\CCCO AK-46431 [1,0,0,0,0,0|0,0,3]=4 6 B8R0.9 C(C(OC)=O)CC(O)=O AK-47290 [0,1,0,0,0,0|1,0,2]=4 7 B8R0.9 CC\C(C)=C\CC(O)=O AK146168 [0,1,0,0,0,0|0,0,2]=3 8 B8R0.9 O=C(O)CNC(OC)=O AK158445 [0,1,0,0,0,0|2,0,1]=4 9 B8R0.9 O=C(O)\C=C\C(OC)=O AK114632 [0,1,0,0,0,0|1,0,0]=2 10 B8R0.28 O=C(O)\C=C\CN(C)C AK-44120 [0,1,0,0,0,0|1,0,1]=3 11 B8R0.28 O=C(O)\C=C\CN(C)C AK164346 [0,1,0,0,0,0|1,0,1]=3 12 B8R1.1 C1=C(SC(=C1)Br)C=O AK-35268 [0,0,0,1,0,0|2,1,0]=4 13 B8R1.1 CC1=CC=C(S1)C=O AK-30245 [0,0,0,1,0,0|2,1,0]=4 14 B8R1.1 CCC1=CC=C(C)S1 AK103790 [0,0,0,1,0,0|1,1,1]=4 15 B8R1.1 N#CC1=CC=C(Br)O1 AK145113 [0,0,0,1,0,0|2,0,1]=4 16 B8R1.1 O=CC1=CC=C(Br)O1 AK-32379 [0,0,0,1,0,0|2,0,0]=3 17 B8R1.1 O=CC1=CC=C(C)O1 AK-94177 [0,0,0,1,0,0|2,0,0]=3 18 B8R1.1 O=CC1=CC=C(Cl)O1 AK158080 [0,0,0,1,0,0|2,0,0]=3 19 B8R1.1 O=CC1=CC=C(Cl)S1 AK-48469 [0,0,0,1,0,0|2,1,0]=4 20 B8R1.1 O=CC1=CN=C(C)O1 AK-25452 [0,0,0,1,0,0|3,0,0]=4 21 B8R1.1 OCC1=CC=C(C)O1 AK135169 [0,0,0,1,0,0|2,0,1]=4 22 B8R1.4 BrC1=CC(Br)=CC=C1 AK-88659 [0,0,0,1,0,0|3,0,0]=4 23 B8R1.4 BrC1=CC=CC(N)=N1 AK-25560 [0,0,0,1,0,0|3,0,0]=4 24 B8R1.4 BrC1=NC(=NC=C1)C AK-31569 [0,0,0,1,0,0|3,0,0]=4 25 B8R1.4 BrC1=NC(I)=CC=C1 AK-49587 [0,0,0,1,0,0|3,0,0]=4 26 B8R1.4 BrC1=NC=CC(=C1)O AK-23606 [0,0,0,1,0,0|3,0,0]=4 27 B8R1.4 BrC1=NC=CC(=N1)C AK-25002 [0,0,0,1,0,0|3,0,0]=4 28 B8R1.4 C1=C(Br)C=CN=C1C AK-23747 [0,0,0,1,0,0|3,0,0]=4 29 B8R1.4 C1=C(C)C=CN=C1Cl AK-25858 [0,0,0,1,0,0|3,0,0]=4 30 B8R1.4 C1=C(C=CC=C1Br)I AK-48371 [0,0,0,1,0,0|3,0,0]=4 31 B8R1.4 C1=C(C=CN=C1Br)C AK-26025 [0,0,0,1,0,0|3,0,0]=4 32 B8R1.4 C1=C(C=CN=C1C)Cl AK-25859 [0,0,0,1,0,0|3,0,0]=4 33 B8R1.4 C1=C(C=NC=C1Cl)O AK-27757 [0,0,0,1,0,0|3,0,0]=4 34 B8R1.4 C1=C(C=NC=C1O)Br AK-22149 [0,0,0,1,0,0|3,0,0]=4 35 B8R1.4 C1=C(C=NC=C1O)C AK-25962 [0,0,0,1,0,0|2,0,0]=3 36 B8R1.4 C1=C(N=C(C=C1)Br)C AK-26079 [0,0,0,1,0,0|2,0,0]=3 37 B8R1.4 C1=C(N=C(C=C1)Br)Cl AK-35415 [0,0,0,1,0,0|3,0,0]=4 38 B8R1.4 C1=C(N=C(C=C1)Cl)N AK-27165 [0,0,0,1,0,0|3,0,0]=4 39 B8R1.4 C1=C(N=C(N=C1)C)Cl AK-21837 [0,0,0,1,0,0|3,0,0]=4 40 B8R1.4 C1=CC=C(F)N=C1Br AK-25117 [0,0,0,1,0,0|3,0,0]=4 41 B8R1.4 C1=CC=C(I)N=C1I AK-39176 [0,0,0,1,0,0|3,0,0]=4 42 B8R1.4 C1=CC=C(N=C1C)Cl AK-32452 [0,0,0,1,0,0|2,0,0]=3 43 B8R1.4 C1=CC=C(N=C1C)F AK-25943 [0,0,0,1,0,0|2,0,0]=3 44 B8R1.4 C1=CC=C(N=C1N)N AK-33251 [0,0,0,1,0,0|3,0,0]=4 45 B8R1.4 CC1=CC(C=CN1)=O AK-25534 [0,0,0,1,0,0|2,0,0]=3 46 B8R1.4 CC1=CC(F)=NC=C1 AK-26002 [0,0,0,1,0,0|3,0,0]=4 47 B8R1.4 CC1=CC(I)=CC=C1 AK161788 [0,0,0,1,0,0|2,0,0]=3 48 B8R1.4 CC1=CC(NN=C1)=O AK-39857 [0,0,0,1,0,0|3,0,0]=4 49 B8R1.4 CC1=CC=CC(I)=N1 AK-35898 [0,0,0,1,0,0|2,0,0]=3 50 B8R1.4 CC1=CC=CC(N)=N1 AK-28918 [0,0,0,1,0,0|2,0,0]=3 51 B8R1.4 CC1=CN=CC(=N1)N AK-26646 [0,0,0,1,0,0|3,0,0]=4 52 B8R1.4 CC1=CN=CC(Br)=N1 AK-28293 [0,0,0,1,0,0|3,0,0]=4 53 B8R1.4 CC1=CN=CC(C)=N1 AK-73109 [0,0,0,1,0,0|3,0,0]=4 54 B8R1.4 CC1=CN=CC(Cl)=C1 AK-25547 [0,0,0,1,0,0|3,0,0]=4 55 B8R1.4 CC1=CN=CC(Cl)=N1 AK-28258 [0,0,0,1,0,0|3,0,0]=4 56 B8R1.4 CC1=CN=CC(F)=C1 AK-25942 [0,0,0,1,0,0|3,0,0]=4 57 B8R1.4 CC1=NC(C)=NC=C1 AK128381 [0,0,0,1,0,0|3,0,0]=4 58 B8R1.4 CC1=NC(Cl)=NC=C1 AK-25001 [0,0,0,1,0,0|3,0,0]=4 59 B8R1.4 CC1=NC(I)=NC=C1 AK-31571 [0,0,0,1,0,0|3,0,0]=4 60 B8R1.4 CC1=NC(O)=NC=C1 AK-24705 [0,0,0,1,0,0|2,0,0]=3 61 B8R1.4 CC1=NC=CC(I)=C1 AK-29006 [0,0,0,1,0,0|3,0,0]=4 62 B8R1.4 ClC1=CC(=NC=C1)O AK-25941 [0,0,0,1,0,0|3,0,0]=4 63 B8R1.4 ClC1=CC=CC(Br)=C1 AK-77010 [0,0,0,1,0,0|3,0,0]=4 64 B8R1.4 ClC1=CN=CC(=N1)O AK-30468 [0,0,0,1,0,0|3,0,0]=4 65 B8R1.4 ClC1=NC(=CC=C1)F AK-32282 [0,0,0,1,0,0|3,0,0]=4 66 B8R1.4 ClC1=NC(I)=CC=C1 AK-45679 [0,0,0,1,0,0|3,0,0]=4 67 B8R1.4 FC1=CC(=CN=C1)O AK-23521 [0,0,0,1,0,0|3,0,0]=4 68 B8R1.4 FC1=CC=CC(Br)=C1 AK-88414 [0,0,0,1,0,0|3,0,0]=4 69 B8R1.4 FC1=CC=CC(N)=N1 AK-28849 [0,0,0,1,0,0|3,0,0]=4 70 B8R1.4 FC1=NC=CC(=C1)O AK-29007 [0,0,0,1,0,0|3,0,0]=4 71 B8R1.4 IC1=CC(=O)NC=C1 AK-30137 [0,0,0,1,0,0|3,0,0]=4 72 B8R1.4 IC1=CC(Cl)=CC=C1 AK-48399 [0,0,0,1,0,0|3,0,0]=4 73 B8R1.4 IC1=CC(I)=CC=C1 AK-76947 [0,0,0,1,0,0|3,0,0]=4 74 B8R1.4 NC1=CC(=CN=C1)O AK-23677 [0,0,0,1,0,0|3,0,0]=4 75 B8R1.4 NC1=CC(=CN=C1)O AK-27981 [0,0,0,1,0,0|3,0,0]=4 76 B8R1.4 NC1=CC(=NC=C1)C AK-28926 [0,0,0,1,0,0|3,0,0]=4 77 B8R1.4 NC1=CC(=NC=C1)O AK-23727 [0,0,0,1,0,0|3,0,0]=4 78 B8R1.4 NC1=CC=CC(I)=C1 AK-95998 [0,0,0,1,0,0|3,0,0]=4 79 B8R1.4 NC1=NC(C)=NC=C1 AK-30457 [0,0,0,1,0,0|3,0,0]=4 80 B8R1.4 NC1=NC(I)=CC=C1 AK-44440 [0,0,0,1,0,0|3,0,0]=4 81 B8R1.4 NC1=NC=CC(=C1)O AK-23591 [0,0,0,1,0,0|3,0,0]=4 82 B8R1.4 O=C1C=C(Br)C=CN1 AK-75682 [0,0,0,1,0,0|3,0,0]=4 83 B8R1.4 O=C1C=C(Cl)NC=C1 AK-26966 [0,0,0,1,0,0|3,0,0]=4 84 B8R1.4 O=C1C=C(F)C=CN1 AK-29630 [0,0,0,1,0,0|3,0,0]=4 85 B8R1.4 O=C1C=CC=C(C)N1 AK-29158 [0,0,0,1,0,0|1,0,0]=2 86 B8R1.4 O=C1C=CC=C(Cl)N1 AK-27743 [0,0,0,1,0,0|2,0,0]=3 87 B8R1.4 O=C1N=C(N)C=CN1 AK-77374 [0,0,0,1,0,0|3,0,0]=4 88 B8R1.4 O=C1N=C(N)NC=C1 AK-77015 [0,0,0,1,0,0|3,0,0]=4 89 B8R1.4 O=C1NC(=CC=C1)N AK-28666 [0,0,0,1,0,0|2,0,0]=3 90 B8R1.4 O=C1NC(=NC=C1)N AK-23592 [0,0,0,1,0,0|3,0,0]=4 91 B8R1.4 O=C1NC(C)=NC=C1 AK-46845 [0,0,0,1,0,0|2,0,0]=3 92 B8R1.4 O=C1NC(C=CN1)=O AK-86824 [0,0,0,1,0,0|3,0,0]=4 93 B8R1.4 O=C1NC=NC(C)=C1 AK-23779 [0,0,0,1,0,0|3,0,0]=4 94 B8R1.4 OC1=CC=CC(Br)=N1 AK-34491 [0,0,0,1,0,0|2,0,0]=3 95 B8R1.4 OC1=CC=CC(I)=C1 AK-88502 [0,0,0,1,0,0|2,0,0]=3 96 B8R1.4 OC1=CC=NC(Cl)=N1 AK-54507 [0,0,0,1,0,0|3,0,0]=4 97 B8R1.4 OC1=CN=CC(O)=C1 AK-45937 [0,0,0,1,0,0|3,0,0]=4 98 B8R1.4 OC1=NC(=NC=C1)C AK-21836 [0,0,0,1,0,0|2,0,0]=3 99 B8R1.4 OC1=NC(=S)NC=C1 AK-41390 [0,0,0,1,0,0|3,0,0]=4 100 B8R1.4 OC1=NC(C)=CN=C1 AK-26663 [0,0,0,1,0,0|2,0,0]=3 101 B8R1.4 OC1=NC(Cl)=CC=C1 AK104457 [0,0,0,1,0,0|2,0,0]=3 102 B8R1.4 OC1=NC(F)=CC=C1 AK-29320 [0,0,0,1,0,0|2,0,0]=3 103 B8R1.4 OC1=NC=CC(Br)=C1 AK-23746 [0,0,0,1,0,0|3,0,0]=4 104 B8R1.4 OC1=NC=CC(C)=C1 AK-33151 [0,0,0,1,0,0|2,0,0]=3 105 B8R1.4 OC1=NC=CC(O)=C1 AK-44036 [0,0,0,1,0,0|3,0,0]=4 106 B8R1.4 S=C1N=C(C)C=CN1 AK-45762 [0,0,0,1,0,0|2,1,0]=4 107 B8R1.7 C1=C(B(O)O)OC=C1 AK-47548 [0,0,0,1,0,0|2,0,1]=4 108 B8R1.7 C1=C(C(=O)O)[NH]C=N1 AK-25282 [0,0,0,1,0,0|2,0,0]=3 109 B8R1.7 C1=COC=C1C(O)=O AK-32276 [0,0,0,1,0,0|1,0,1]=3 110 B8R1.7 C1=CSC(=N1)C(C)=O AK-46781 [0,0,0,1,0,0|3,0,0]=4 111 B8R1.7 C1=NC=C(S1)C(=O)O AK-27761 [0,0,0,1,0,0|2,0,0]=3 112 B8R1.7 C1=N[NH]C=C1C(O)=O AK-25877 [0,0,0,1,0,0|2,0,1]=4 113 B8R1.7 CC(=O)C1=CC=CN1 AK-53458 [0,0,0,1,0,0|2,0,0]=3 114 B8R1.7 CC(=O)C1=CC=NO1 AK-68495 [0,0,0,1,0,0|3,0,0]=4 115 B8R1.7 CC(=O)C1=CSC=C1 AK-44537 [0,0,0,1,0,0|2,0,1]=4 116 B8R1.7 NC(=O)C1=COC=N1 AK-99961 [0,0,0,1,0,0|3,0,0]=4 117 B8R1.7 O1C=CC(=N1)C(=O)O AK-27692 [0,0,0,1,0,0|2,0,0]=3 118 B8R1.7 O1N=CC(=N1)C(=O)O AK-32069 [0,0,0,1,0,0|3,0,0]=4 119 B8R1.7 O=C(C1=CC=CN1)O AK-44225 [0,0,0,1,0,0|1,0,0]=2 120 B8R1.7 O=C(C1=CC=CO1)O AK-72863 [0,0,0,1,0,0|1,0,0]=2 121 B8R1.7 O=C(C1=CC=CS1)[O-] AK110095 [0,0,0,1,0,0|1,0,1]=3 122 B8R1.7 O=C(C1=CC=NO1)O AK-25596 [0,0,0,1,0,0|2,0,0]=3 123 B8R1.7 O=C(C1=CC=NS1)O AK-94814 [0,0,0,1,0,0|2,0,0]=3 124 B8R1.7 O=C(C1=CCCC1)O AK-33463 [0,0,0,1,0,0|0,0,2]=3 125 B8R1.7 O=C(C1=CN=CO1)O AK-28732 [0,0,0,1,0,0|2,0,0]=3 126 B8R1.7 O=C(C1=CNC=C1)C AK-45953 [0,0,0,1,0,0|2,0,1]=4 127 B8R1.7 O=C(C1=CNC=N1)C AK-45163 [0,0,0,1,0,0|3,0,0]=4 128 B8R1.7 O=C(C1=COC=N1)O AK-29026 [0,0,0,1,0,0|2,0,0]=3 129 B8R1.7 O=C(C1=CSC=C1)O AK-46373 [0,0,0,1,0,0|1,0,1]=3 130 B8R1.7 O=C(C1=CSC=N1)O AK-23931 [0,0,0,1,0,0|2,0,0]=3 131 B8R1.7 O=C(C1=CSN=C1)O AK-84534 [0,0,0,1,0,0|2,0,1]=4 132 B8R1.7 O=C(C1=NC=CN1)N AK139797 [0,0,0,1,0,0|3,0,0]=4 133 B8R1.7 O=C(C1=NC=CO1)[O-] AK-93393 [0,0,0,1,0,0|2,0,1]=4 134 B8R1.7 O=C(C1=NNC=C1)N AK-27992 [0,0,0,1,0,0|3,0,0]=4 135 B8R1.7 O=C(C1=NNC=C1)O AK-29904 [0,0,0,1,0,0|2,0,0]=3 136 B8R1.7 O=C(C1CC=CC1)O AK-36334 [0,0,0,1,0,0|0,0,2]=3 137 B8R1.7 O=C([C@H]1NCC=C1)O AK-77612 [0,0,0,1,0,0|1,0,2]=4 138 B8R1.7 O=[N+](C1=CC=CN1)[O-] AK-77322 [0,0,0,1,0,0|2,0,1]=4 139 B8R1.7 OB(C1=CC=CS1)O AK-46314 [0,0,0,1,0,0|2,0,1]=4 140 B8R1.7 OC(=O)C1=CNC=C1 AK-26450 [0,0,0,1,0,0|1,0,1]=3 141 B8R1.7 OC(=O)C1=CNN=N1 AK-28855 [0,0,0,1,0,0|3,0,0]=4 142 B8R1.7 S1C=C(N=C1)C(C)=O AK-39395 [0,0,0,1,0,0|3,0,0]=4 143 B8R1.7 S1C=CN=C1C(=O)O AK-21895 [0,0,0,1,0,0|2,0,0]=3 144 B8R1.7 S=C(C1=CC=CS1)N AK-40144 [0,0,0,1,0,0|2,1,0]=4 145 B8R1.7 [C@@H]1(NCC=C1)C(O)=O AK-45899 [0,0,0,1,0,0|1,0,2]=4 146 B8R1.7 [NH]1C=CN=C1C(=O)O AK-27693 [0,0,0,1,0,0|2,0,0]=3 147 B8R1.7 [O-]C(=O)C1=CC=CS1 AK111442 [0,0,0,1,0,0|1,0,1]=3 148 B8R1.22 O=C1C=CCCCC1 AK-88461 [0,0,0,1,0,0|1,0,2]=4 149 B5R0.1 C(C(=O)O)NC AK-47434 [2,0,0,0,0,0|1,0,1]=4 150 B5R0.1 CC#CC(O)=O AK-49957 [2,0,0,0,0,0|0,0,2]=4 151 B7R0.2 O=C(O)CC(OC)=O AK-77136 [1,1,0,0,0,0|1,0,1]=4 152 B7R0.5 C=CC[C@@H](N)C(O)=O AK-26105 [1,1,0,0,0,0|0,0,2]=4 153 B7R0.5 C=CC[C@@H](N)C(O)=O AK-70926 [1,1,0,0,0,0|0,0,2]=4 154 B7R0.5 C=CC[C@H](N)C(O)=O AK-49452 [1,1,0,0,0,0|0,0,2]=4 155 B7R0.6 C(C(C)=O)CC(O)=O AK-73018 [1,1,0,0,0,0|0,0,2]=4 156 B7R0.6 CC(=O)NCC(O)=O AK-49883 [1,1,0,0,0,0|1,0,1]=4 157 B7R0.6 O=C(O)\C=C/C(N)=O AK169998 [1,1,0,0,0,0|1,0,0]=3 158 B7R0.6 O=C(O)\C=C\C(O)=O AK115563 [1,1,0,0,0,0|1,0,0]=3 159 B9R0.53 CC(=CC(C=C(C)C)=O)C AK-35357 [0,2,0,0,0,0|2,0,0]=4 160 B9R0.5 CCO/C=C/C(=O)OCC AK109543 [0,2,0,0,0,0|1,0,1]=4 161 B9R0.5 O=C(OCC)\C=C\OCC AK-45173 [0,2,0,0,0,0|1,0,1]=4 162 B9R0.24 O=C(OC)\C=C\C(OC)=O AK144836 [0,2,0,0,0,0|1,0,0]=3 163 B9R0.48 CCOC(=O)/C=C/C(O)=O AK-48066 [0,2,0,0,0,0|0,0,1]=3 164 B9R0.42 O=C(O)C(CC(OC)=O)=O AK159593 [0,2,0,0,0,0|1,0,1]=4 165 B7R1.2 C1=C(SC(=C1)Br)C AK-36324 [1,0,0,1,0,0|1,1,0]=4 166 B7R1.2 O=C1NN(C)C=C1 AK-67583 [1,0,0,1,0,0|2,0,0]=4 167 B7R1.2 O=C1OC(C)=CC1 AK601784 [1,0,0,1,0,0|0,0,1]=3 168 B7R1.3 IC1=CC=CC=C1 AK-88660 [1,0,0,1,0,0|2,0,0]=4 169 B7R1.3 IC1=NC=CC=C1 AK-43060 [1,0,0,1,0,0|2,0,0]=4 170 B7R1.3 N1=CN=C(C=C1)O AK-25153 [1,0,0,1,0,0|2,0,0]=4 171 B7R1.3 O=C1C=CC=NN1 AK-29318 [1,0,0,1,0,0|2,0,0]=4 172 B7R1.3 O=C1C=COC=C1 AK110934 [1,0,0,1,0,0|2,0,0]=4 173 B7R1.3 O=C1NC=CN=C1 AK-24500 [1,0,0,1,0,0|2,0,0]=4 174 B7R1.3 O=C1NC=NC=C1 Ak-75843 [1,0,0,1,0,0|2,0,0]=4 175 B7R1.3 O=C1NCCC=C1 AK110027 [1,0,0,1,0,0|1,0,1]=4 176 B7R1.3 OC1=CC=CN=C1 AK-44238 [1,0,0,1,0,0|2,0,0]=4 177 B7R1.3 OC1=CC=NC=C1 AK110406 [1,0,0,1,0,0|2,0,0]=4 178 B7R1.3 OC1=NC=CC=N1 AK-41674 [1,0,0,1,0,0|2,0,0]=4 179 B7R1.3 OC1=NC=CC=N1 AK-49044 [1,0,0,1,0,0|2,0,0]=4 180 B7R1.3 [S-]C1=CC=CC=C1 AK316593 [1,0,0,1,0,0|1,1,0]=4 181 B7R1.1 C1=C(N=CS1)C=O AK-23930 [1,0,0,1,0,0|2,0,0]=4 182 B7R1.1 C1=C(SC=C1)C=O AK-26482 [1,0,0,1,0,0|1,0,0]=3 183 B7R1.1 C1=C([NH]C=N1)C=O AK-41612 [1,0,0,1,0,0|2,0,0]=4 184 B7R1.1 C1=CN=C(C=O)[NH]1 AK-49186 [1,0,0,1,0,0|2,0,0]=4 185 B7R1.1 C1=CSC(=N1)C=O AK-46309 [1,0,0,1,0,0|2,0,0]=4 186 B7R1.1 CCC1=CC=CS1 AK-76635 [1,0,0,1,0,0|0,1,1]=4 187 B7R1.1 COC1=CC=CS1 AK-60885 [1,0,0,1,0,0|1,1,0]=4 188 B7R1.1 O=CC1=CC=CN1 AK-25235 [1,0,0,1,0,0|1,0,0]=3 189 B7R1.1 O=CC1=CN=CS1 AK-39378 [1,0,0,1,0,0|2,0,0]=4 190 B7R1.1 O=CC1=CNC=C1 AK-36182 [1,0,0,1,0,0|1,0,1]=4 191 B7R1.1 O=CC1=CSC=C1 AK-42964 [1,0,0,1,0,0|1,0,1]=4 192 B7R1.1 OCC1=CC=CS1 AK-93468 [1,0,0,1,0,0|1,0,1]=4 193 B7R1.1 [NH]1C=CC(=N1)C=O AK-25900 [1,0,0,1,0,0|2,0,0]=4 194 B7R1.4 C1=CC(=C(S1)Br)C AK-46588 [1,0,0,1,0,0|2,0,0]=4 195 B7R1.4 CC1=CSC=C1Br AK-34597 [1,0,0,1,0,0|2,0,0]=4 196 B7R1.4 CC1=CSC=C1C AK-45919 [1,0,0,1,0,0|2,0,0]=4 197 B7R1.4 O=C1N(C)NC=C1 AK113037 [1,0,0,1,0,0|2,0,0]=4 198 B7R1.4 O=C1N(C)SC=C1 AK682465 [1,0,0,1,0,0|2,0,0]=4 199 B7R1.4 O=C1NC=CN1C AK317267 [1,0,0,1,0,0|2,0,0]=4 200 B7R1.4 OC1=CC=N[N]1C AK-39760 [1,0,0,1,0,0|2,0,0]=4 201 B9R1.7 CC1=CC=C(CCO)O1 AK684573 [0,1,0,1,0,0|1,0,1]=4 202 B9R1.13 O=C(Cl)CC1=CC=CS1 AK-76957 [0,1,0,1,0,0|2,0,0]=4 203 B9R1.13 O=C(O)CC1=CC=CO1 AK126664 [0,1,0,1,0,0|1,0,0]=3 204 B9R1.13 O=C(O)CC1=CN=CN1 AK-35977 [0,1,0,1,0,0|1,0,1]=4 205 B9R1.13 O=C(O)CC1=NNC=C1 AK153425 [0,1,0,1,0,0|1,0,1]=4 206 B9R1.34 BrC1=CC(=CC(=C1)C)F AK-34003 [0,1,0,1,0,0|2,0,0]=4 207 B9R1.34 BrC1=CC(=CC(=C1)O)C AK-31142 [0,1,0,1,0,0|1,0,0]=3 208 B9R1.34 BrC1=CC(=CC(=C1)O)Cl AK-35681 [0,1,0,1,0,0|2,0,0]=4 209 B9R1.34 BrC1=NC(=CC(=C1)C)C AK-26024 [0,1,0,1,0,0|2,0,0]=4 210 B9R1.34 C1=C(C=C(C=C1O)Cl)Cl AK-39494 [0,1,0,1,0,0|2,0,0]=4 211 B9R1.34 C1=C(N)C=C(Br)C=C1C AK-36277 [0,1,0,1,0,0|2,0,0]=4 212 B9R1.34 C1=C(N=C(C=C1C)N)C AK-35566 [0,1,0,1,0,0|2,0,0]=4 213 B9R1.34 CC1=CC(=O)C=C(O)N1 AK-29243 [0,1,0,1,0,0|1,0,0]=3 214 B9R1.34 CC1=CC(Br)=CC(Br)=C1 AK-27065 [0,1,0,1,0,0|2,0,0]=4 215 B9R1.34 CC1=CC(Br)=CC(C)=C1 AK-49911 [0,1,0,1,0,0|2,0,0]=4 216 B9R1.34 CC1=CC(Br)=CC(C)=N1 AK-35389 [0,1,0,1,0,0|2,0,0]=4 217 B9R1.34 CC1=CC(Br)=CC(N)=N1 AK-55088 [0,1,0,1,0,0|2,0,0]=4 218 B9R1.34 CC1=CC(Br)=CC(O)=N1 AK-55089 [0,1,0,1,0,0|1,0,0]=3 219 B9R1.34 CC1=CC(C=C(C)N1)=O AK-25391 [0,1,0,1,0,0|2,0,0]=4 220 B9R1.34 CC1=CC(Cl)=CC(Br)=C1 AK-54890 [0,1,0,1,0,0|2,0,0]=4 221 B9R1.34 CC1=CC(Cl)=CC(C)=N1 AK-26952 [0,1,0,1,0,0|2,0,0]=4 222 B9R1.34 CC1=CC(Cl)=CC(Cl)=C1 AK-73039 [0,1,0,1,0,0|2,0,0]=4 223 B9R1.34 CC1=CC(Cl)=CC(Cl)=N1 AK-54975 [0,1,0,1,0,0|2,0,0]=4 224 B9R1.34 CC1=CC(Cl)=CC(N)=N1 AK-29225 [0,1,0,1,0,0|2,0,0]=4 225 B9R1.34 CC1=CC(F)=CC(F)=N1 AK100315 [0,1,0,1,0,0|2,0,0]=4 226 B9R1.34 CC1=CC(I)=CC(C)=C1 AK-44907 [0,1,0,1,0,0|2,0,0]=4 227 B9R1.34 CC1=CC(N)=CC(Cl)=N1 AK-40958 [0,1,0,1,0,0|2,0,0]=4 228 B9R1.34 CC1=CC(NC(N1)=O)=O AK-30067 [0,1,0,1,0,0|2,0,0]=4 229 B9R1.34 CC1=CC(O)=CC(Cl)=C1 AK-35739 [0,1,0,1,0,0|1,0,0]=3 230 B9R1.34 CC1=CC(O)=CC(F)=C1 AK-37425 [0,1,0,1,0,0|1,0,0]=3 231 B9R1.34 CC1=CC(O)=NC(C)=C1 AK-63436 [0,1,0,1,0,0|1,0,0]=3 232 B9R1.34 CC1=NC(=CC(N1)=O)O AK-46279 [0,1,0,1,0,0|2,0,0]=4 233 B9R1.34 CC1=NC(=O)NC(=C1)C AK-28729 [0,1,0,1,0,0|2,0,0]=4 234 B9R1.34 CC1=NC(C)=NC(O)=C1 AK-54988 [0,1,0,1,0,0|2,0,0]=4 235 B9R1.34 ClC1=CC(Cl)=CC(=O)N1 AK110224 [0,1,0,1,0,0|2,0,0]=4 236 B9R1.34 ClC1=NC(=CC(=C1)C)C AK-46768 [0,1,0,1,0,0|2,0,0]=4 237 B9R1.34 FC1=CC(=CC(=C1)N)C AK-35464 [0,1,0,1,0,0|2,0,0]=4 238 B9R1.34 NC1=CC(C)=CC(Cl)=C1 AK-39878 [0,1,0,1,0,0|2,0,0]=4 239 B9R1.34 NC1=CC(C)=NC(C)=C1 AK-34805 [0,1,0,1,0,0|2,0,0]=4 240 B9R1.34 O=C1C=C(N)C=C(F)N1 AK198831 [0,1,0,1,0,0|2,0,0]=4 241 B9R1.34 O=C1C=C(O)C=C(C)N1 AK-77080 [0,1,0,1,0,0|1,0,0]=3 242 B9R1.34 O=C1C=C(O)C=C(C)O1 AK-44057 [0,1,0,1,0,0|0,0,0]=2 243 B9R1.34 OC1=CC(Br)=CC(Br)=C1 AK-68289 [0,1,0,1,0,0|2,0,0]=4 244 B9R1.34 OC1=CC(Br)=CC(O)=C1 AK-89576 [0,1,0,1,0,0|2,0,0]=4 245 B9R1.34 OC1=CC(C)=CC(N)=C1 AK-36326 [0,1,0,1,0,0|1,0,0]=3 246 B9R1.34 OC1=CC(C)=CC(O)=C1 AK-40748 [0,1,0,1,0,0|1,0,0]=3 247 B9R1.34 OC1=CC(Cl)=CC(N)=C1 AK128528 [0,1,0,1,0,0|2,0,0]=4 248 B9R1.34 OC1=CC(Cl)=NC(C)=C1 AK150752 [0,1,0,1,0,0|2,0,0]=4 249 B9R1.34 OC1=CC(F)=CC(Br)=C1 AK-35152 [0,1,0,1,0,0|2,0,0]=4 250 B9R1.34 OC1=CC(F)=CC(Cl)=C1 AK116841 [0,1,0,1,0,0|2,0,0]=4 251 B9R1.34 OC1=CC(F)=CC(F)=C1 AK-25691 [0,1,0,1,0,0|2,0,0]=4 252 B9R1.34 OC1=CC(I)=CC(Br)=C1 AK316544 [0,1,0,1,0,0|2,0,0]=4 253 B9R1.34 OC1=CC(N)=CC(O)=C1 AK-32100 [0,1,0,1,0,0|2,0,0]=4 254 B9R1.34 OC1=CC(O)=CC(O)=C1 AK113127 [0,1,0,1,0,0|2,0,0]=4 255 B9R1.41 C1=CC(=C(S1)N)C(=O)N AK-50549 [0,1,0,1,0,0|2,0,0]=4 256 B9R1.41 C1=NC(=C(C(O)=O)O1)C AK-25663 [0,1,0,1,0,0|1,0,0]=3 257 B9R1.41 CC(C1=CC=CN1C)=O AK148515 [0,1,0,1,0,0|1,0,0]=3 258 B9R1.41 CC(C1=CN=CN1C)=O AK140652 [0,1,0,1,0,0|2,0,0]=4 259 B9R1.41 CC1=C(C=CN1)C(O)=O AK-77215 [0,1,0,1,0,0|0,0,0]=2 260 B9R1.41 CC1=C(OC=C1)C(O)=O AK-89342 [0,1,0,1,0,0|0,0,0]=2 261 B9R1.41 CC1=NOC=C1C(=O)O AK-33667 [0,1,0,1,0,0|1,0,0]=3 262 B9R1.41 CN1C=CN=C1C(C)=O AK-54843 [0,1,0,1,0,0|2,0,0]=4 263 B9R1.41 CN1N=CC=C1C(C)=O AK-40773 [0,1,0,1,0,0|2,0,0]=4 264 B9R1.41 ClC1=C(C=CS1)C(=O)O AK-29355 [0,1,0,1,0,0|1,0,0]=3 265 B9R1.41 FC1=C(SC=C1)C(=O)O AK-29153 [0,1,0,1,0,0|1,0,0]=3 266 B9R1.41 O=C(C1=C(Br)C=CS1)O AK-29480 [0,1,0,1,0,0|1,0,0]=3 267 B9R1.41 O=C(C1=C(Br)C=NN1)O AK-59621 [0,1,0,1,0,0|2,0,0]=4 268 B9R1.41 O=C(C1=C(Br)SC=C1)O AK-34310 [0,1,0,1,0,0|1,0,0]=3 269 B9R1.41 O=C(C1=C(Br)SC=N1)O AK-22047 [0,1,0,1,0,0|2,0,0]=4 270 B9R1.41 O=C(C1=C(C)C=CN1)O AK-36827 [0,1,0,1,0,0|0,0,0]=2 271 B9R1.41 O=C(C1=C(C)C=CS1)O AK-25644 [0,1,0,1,0,0|0,0,0]=2 272 B9R1.41 O=C(C1=C(C)C=NO1)O AK-25674 [0,1,0,1,0,0|1,0,0]=3 273 B9R1.41 O=C(C1=C(C)N=CS1)O AK-29930 [0,1,0,1,0,0|1,0,0]=3 274 B9R1.41 O=C(C1=C(C)OC=N1)O AK-24069 [0,1,0,1,0,0|1,0,0]=3 275 B9R1.41 O=C(C1=C(C)ON=C1)O AK-32464 [0,1,0,1,0,0|1,0,0]=3 276 B9R1.41 O=C(C1=C(C)SC=C1)O AK-33900 [0,1,0,1,0,0|0,0,0]=2 277 B9R1.41 O=C(C1=C(C)SC=N1)O AK-25323 [0,1,0,1,0,0|1,0,0]=3 278 B9R1.41 O=C(C1=C(Cl)C=NN1)O AK-75702 [0,1,0,1,0,0|2,0,0]=4 279 B9R1.41 O=C(C1=C(Cl)C=NS1)O AK314030 [0,1,0,1,0,0|2,0,0]=4 280 B9R1.41 O=C(C1=C(I)C=CS1)O AK167455 [0,1,0,1,0,0|1,0,0]=3 281 B9R1.41 O=C(C1=C(I)C=NN1)O AK-92905 [0,1,0,1,0,0|2,0,0]=4 282 B9R1.41 O=C(C1=CC=CN1N)N AK-45334 [0,1,0,1,0,0|2,0,0]=4 283 B9R1.41 O=C(C1=CC=NN1C)O AK-33521 [0,1,0,1,0,0|1,0,0]=3 284 B9R1.41 O=C(C1=CN=CN1C)O AK-35106 [0,1,0,1,0,0|1,0,0]=3 285 B9R1.41 O=C(C1=CN=NN1C)O AK-31403 [0,1,0,1,0,0|2,0,0]=4 286 B9R1.41 O=C(C1=CNN=C1C)O AK-39586 [0,1,0,1,0,0|1,0,0]=3 287 B9R1.41 O=C(C1=CNN=C1N)O AK-46321 [0,1,0,1,0,0|2,0,0]=4 288 B9R1.41 O=C(C1=CSC=C1C)O AK-64461 [0,1,0,1,0,0|0,0,0]=2 289 B9R1.41 O=C(C1=NC=CN1C)O AK-28560 [0,1,0,1,0,0|1,0,0]=3 290 B9R1.41 O=C(C1=NC=NN1C)O AK179208 [0,1,0,1,0,0|2,0,0]=4 291 B9R1.41 O=C(C1=NNC=C1Br)O AK-46340 [0,1,0,1,0,0|2,0,0]=4 292 B9R1.41 O=C(C1=NOC=C1C)O AK101261 [0,1,0,1,0,0|1,0,0]=3 293 B9R1.41 OC(=O)C1=C(Br)C=CO1 AK110945 [0,1,0,1,0,0|1,0,0]=3 294 B9R1.41 OC(=O)C1=C(Cl)C=CS1 AK-48375 [0,1,0,1,0,0|1,0,0]=3 295 B9R1.41 OC(=O)C1=C(Cl)NN=C1 AK-99982 [0,1,0,1,0,0|2,0,0]=4 296 B9R1.1 COC1=CC=C(O)C=C1 AK-46469 [0,1,0,1,0,0|2,0,0]=4 297 B9R1.1 O=CC1=CC=C(O)C=C1 AK-77323 [0,1,0,1,0,0|2,0,0]=4 298 B9R1.1 O=CC1=NC=C(O)C=C1 AK-34625 [0,1,0,1,0,0|2,0,0]=4 299 B9R1.1 O=CC=1C=CC(NC1)=O AK-28718 [0,1,0,1,0,0|2,0,0]=4 300 B9R1.1 OC1=CC=C(C=C)C=C1 AK113778 [0,1,0,1,0,0|1,0,1]=4 301 B9R1.1 OC1=CN=C(C=C1)OC AK-26060 [0,1,0,1,0,0|2,0,0]=4 302 B9R1.2 BrCC1=CC(I)=CC=C1 AK-54649 [0,1,0,1,0,0|2,0,0]=4 303 B9R1.2 BrCC1=CC=CC(Br)=N1 AK-48524 [0,1,0,1,0,0|2,0,0]=4 304 B9R1.2 C1=C(C=CC=C1C#N)O AK-47400 [0,1,0,1,0,0|1,0,1]=4 305 B9R1.2 C1=C(CO)C=CC=C1N AK-50595 [0,1,0,1,0,0|2,0,0]=4 306 B9R1.2 C1=C(NN)C=CC=C1C AK-47381 [0,1,0,1,0,0|2,0,0]=4 307 B9R1.2 C1=CC(=NC(=C1)C)C#N AK-29900 [0,1,0,1,0,0|2,0,0]=4 308 B9R1.2 C1=CC=C(Br)N=C1C=O AK-25797 [0,1,0,1,0,0|2,0,0]=4 309 B9R1.2 C1=CC=C(N=C1OC)Br AK-25939 [0,1,0,1,0,0|2,0,0]=4 310 B9R1.2 C1=CC=C(N=C1OC)C AK-44038 [0,1,0,1,0,0|1,0,0]=3 311 B9R1.2 C1=CC=C(N=C1OC)Cl AK-25492 [0,1,0,1,0,0|2,0,0]=4 312 B9R1.2 CC1=CC(=CN=C1)C=O AK-28384 [0,1,0,1,0,0|2,0,0]=4 313 B9R1.2 CC1=CC(=NC=C1)C=O AK-24250 [0,1,0,1,0,0|2,0,0]=4 314 B9R1.2 CC1=CC(CO)=NC=C1 AK-74173 [0,1,0,1,0,0|2,0,0]=4 315 B9R1.2 CC1=CC(OC)=NC=C1 AK-39493 [0,1,0,1,0,0|2,0,0]=4 316 B9R1.2 CC1=CC=CC(CBr)=N1 AK-44889 [0,1,0,1,0,0|2,0,0]=4 317 B9R1.2 CC1=CC=CC(CCl)=N1 AK-40015 [0,1,0,1,0,0|2,0,0]=4 318 B9R1.2 CC1=NC=CC(=N1)C=O AK-23647 [0,1,0,1,0,0|2,0,0]=4 319 B9R1.2 CC1=NC=CC(OC)=N1 AK-59113 [0,1,0,1,0,0|2,0,0]=4 320 B9R1.2 CCC1=CC=CC(Br)=C1 AK111102 [0,1,0,1,0,0|2,0,0]=4 321 B9R1.2 CCC1=CC=CC(Br)=N1 AK-65167 [0,1,0,1,0,0|2,0,0]=4 322 B9R1.2 CNC1=CC=CC(Br)=C1 AK112706 [0,1,0,1,0,0|2,0,0]=4 323 B9R1.2 CNC1=NC(Cl)=CC=C1 AK-48574 [0,1,0,1,0,0|2,0,0]=4 324 B9R1.2 COC1=CC(Br)=CC=C1 AK-76817 [0,1,0,1,0,0|2,0,0]=4 325 B9R1.2 COC1=CC(C)=NC=C1 AK-67862 [0,1,0,1,0,0|2,0,0]=4 326 B9R1.2 COC1=CC(Cl)=CC=C1 AK106212 [0,1,0,1,0,0|2,0,0]=4 327 B9R1.2 COC1=CC=CC(F)=N1 AK130132 [0,1,0,1,0,0|2,0,0]=4 328 B9R1.2 COC1=CN=CC(=C1)O AK-28499 [0,1,0,1,0,0|2,0,0]=4 329 B9R1.2 COC1=NC=CC(=O)N1 AK-25126 [0,1,0,1,0,0|2,0,0]=4 330 B9R1.2 CSC1=CC=CC(Br)=N1 AK159822 [0,1,0,1,0,0|2,0,0]=4 331 B9R1.2 CSC1=NC=CC(N1)=O AK-26630 [0,1,0,1,0,0|2,0,0]=4 332 B9R1.2 ClC1=CC(CO)=CC=C1 AK-51231 [0,1,0,1,0,0|2,0,0]=4 333 B9R1.2 ClC1=CC=CC(=N1)CO AK-28428 [0,1,0,1,0,0|2,0,0]=4 334 B9R1.2 ClCC1=CC(I)=CC=C1 AK-94390 [0,1,0,1,0,0|2,0,0]=4 335 B9R1.2 ClCC1=CC=CC(Br)=N1 AK151971 [0,1,0,1,0,0|2,0,0]=4 336 B9R1.2 FC1=CC(CO)=CC=C1 AK-51232 [0,1,0,1,0,0|2,0,0]=4 337 B9R1.2 FC1=CC=CC(CBr)=N1 AK-77216 [0,1,0,1,0,0|2,0,0]=4 338 B9R1.2 FC1=CC=CC(CCl)=N1 AK137993 [0,1,0,1,0,0|2,0,0]=4 339 B9R1.2 FC1=NC(=CC=C1)C=O AK-25580 [0,1,0,1,0,0|2,0,0]=4 340 B9R1.2 N(N)C1=NC(=CC=C1)C AK-35513 [0,1,0,1,0,0|2,0,0]=4 341 B9R1.2 NC1=CC=CC(CN)=C1 AK-76655 [0,1,0,1,0,0|2,0,0]=4 342 B9R1.2 NC1=CC=CC(CO)=N1 AK-85732 [0,1,0,1,0,0|2,0,0]=4 343 B9R1.2 NC1=CC=CC(OC)=C1 AK309398 [0,1,0,1,0,0|2,0,0]=4 344 B9R1.2 NC1=CC=CC(SC)=C1 AK162933 [0,1,0,1,0,0|2,0,0]=4 345 B9R1.2 NC1=NC(=CC=C1)OC AK-27734 [0,1,0,1,0,0|2,0,0]=4 346 B9R1.2 NC1=NC(CC)=CC=C1 AK-28992 [0,1,0,1,0,0|2,0,0]=4 347 B9R1.2 NCC1=CC(F)=CC=C1 AK-80195 [0,1,0,1,0,0|2,0,0]=4 348 B9R1.2 NCC1=CC=CC(Br)=C1 AK-49144 [0,1,0,1,0,0|2,0,0]=4 349 B9R1.2 NCC1=CC=CC(C)=C1 AK-98167 [0,1,0,1,0,0|2,0,0]=4 350 B9R1.2 NCC1=CC=CC(Cl)=C1 AK-89641 [0,1,0,1,0,0|2,0,0]=4 351 B9R1.2 NCC1=CC=CC(I)=C1 AK-46127 [0,1,0,1,0,0|2,0,0]=4 352 B9R1.2 NCC1=NC(Br)=CC=C1 AK-39249 [0,1,0,1,0,0|2,0,0]=4 353 B9R1.2 NCC1=NC(Br)=CC=C1 AK-79055 [0,1,0,1,0,0|2,0,0]=4 354 B9R1.2 NCC1=NC(Cl)=CC=C1 AK105012 [0,1,0,1,0,0|2,0,0]=4 355 B9R1.2 NCC1=NC(F)=CC=C1 AK112462 [0,1,0,1,0,0|2,0,0]=4 356 B9R1.2 O=C1C=C(OC)C=CN1 AK-35484 [0,1,0,1,0,0|2,0,0]=4 357 B9R1.2 O=C1NC(SC)=NC=C1 AK-43583 [0,1,0,1,0,0|2,0,0]=4 358 B9R1.2 O=CC1=CC=CC(Br)=C1 AK-77027 [0,1,0,1,0,0|2,0,0]=4 359 B9R1.2 O=CC1=CC=CC(Cl)=C1 AK-68812 [0,1,0,1,0,0|2,0,0]=4 360 B9R1.2 O=CC1=CC=CC(F)=C1 AK112743 [0,1,0,1,0,0|2,0,0]=4 361 B9R1.2 O=CC1=CC=CC(I)=C1 AK-50045 [0,1,0,1,0,0|2,0,0]=4 362 B9R1.2 O=CC1=CC=CC(N)=C1 AK121859 [0,1,0,1,0,0|2,0,0]=4 363 B9R1.2 O=CC1=CC=CC(O)=C1 AK-77369 [0,1,0,1,0,0|1,0,1]=4 364 B9R1.2 O=CC1=CC=NC(C)=C1 AK-30085 [0,1,0,1,0,0|2,0,0]=4 365 B9R1.2 O=CC1=CC=NC(O)=C1 AK-24042 [0,1,0,1,0,0|2,0,0]=4 366 B9R1.2 O=CC1=CN=CC(O)=C1 AK139755 [0,1,0,1,0,0|2,0,0]=4 367 B9R1.2 O=CC1=NC(C)=CC=C1 AK-45099 [0,1,0,1,0,0|1,0,0]=3 368 B9R1.2 O=CC1=NC(Cl)=CC=C1 AK-29361 [0,1,0,1,0,0|2,0,0]=4 369 B9R1.2 OC1=CC(=CC=C1)C#C AK111295 [0,1,0,1,0,0|1,0,1]=4 370 B9R1.2 OC1=CC(CBr)=CC=C1 AK-99880 [0,1,0,1,0,0|1,0,0]=3 371 B9R1.2 OC1=CC(OC)=NC=C1 AK-68345 [0,1,0,1,0,0|2,0,0]=4 372 B9R1.2 OCC1=CC(=O)NC=C1 AK-72519 [0,1,0,1,0,0|2,0,0]=4 373 B9R1.2 OCC1=CC(C)=CN=C1 AK130310 [0,1,0,1,0,0|2,0,0]=4 374 B9R1.2 OCC1=CC(C)=NC=C1 AK-32751 [0,1,0,1,0,0|2,0,0]=4 375 B9R1.2 OCC1=CC=CC(Br)=C1 AK110441 [0,1,0,1,0,0|2,0,0]=4 376 B9R1.2 OCC1=CC=CC(Br)=N1 AK-34739 [0,1,0,1,0,0|2,0,0]=4 377 B9R1.2 OCC1=NC(C)=CC=C1 AK-47726 [0,1,0,1,0,0|1,0,0]=3 378 B9R1.2 OCC1=NC(Cl)=CC=C1 AK-29179 [0,1,0,1,0,0|2,0,0]=4 379 B9R1.3 BrC1=C(C=CC=C1F)O AK-25980 [0,1,0,1,0,0|2,0,0]=4 380 B9R1.3 BrC1=C(N)C(=CC=C1)C AK-40941 [0,1,0,1,0,0|2,0,0]=4 381 B9R1.3 C1=C(C(=C(C=C1)Cl)C)O AK-34695 [0,1,0,1,0,0|2,0,0]=4 382 B9R1.3 C1=C(C(=C(C=C1)Cl)N)C AK-36668 [0,1,0,1,0,0|2,0,0]=4 383 B9R1.3 C1=C(C(=C(C=C1)F)O)O AK-28561 [0,1,0,1,0,0|1,0,1]=4 384 B9R1.3 C1=CC=C(Br)C(=C1O)O AK-72775 [0,1,0,1,0,0|1,0,1]=4 385 B9R1.3 C1=CC=C(C(=C1Br)O)Br AK-30552 [0,1,0,1,0,0|2,0,0]=4 386 B9R1.3 C1=CC=C(C(=C1C)Br)C AK-47475 [0,1,0,1,0,0|2,0,0]=4 387 B9R1.3 C1=CC=C(C(=C1Cl)I)C AK-35390 [0,1,0,1,0,0|2,0,0]=4 388 B9R1.3 C1=CC=C(C(=C1O)F)F AK-47386 [0,1,0,1,0,0|2,0,0]=4 389 B9R1.3 C1=CC=C(O)C(=C1O)Cl AK-21929 [0,1,0,1,0,0|2,0,0]=4 390 B9R1.3 CC1=C(Br)C(F)=CC=C1 AK-53756 [0,1,0,1,0,0|2,0,0]=4 391 B9R1.3 CC1=C(Br)C(O)=NC=C1 AK-87635 [0,1,0,1,0,0|2,0,0]=4 392 B9R1.3 CC1=C(Cl)C(C)=CC=C1 AK326084 [0,1,0,1,0,0|2,0,0]=4 393 B9R1.3 CC1=C(F)C(Br)=CC=C1 AK-53771 [0,1,0,1,0,0|2,0,0]=4 394 B9R1.3 CC1=C(F)C(C)=CC=C1 AK-35178 [0,1,0,1,0,0|2,0,0]=4 395 B9R1.3 CC1=C(I)C(Br)=CC=C1 AK167253 [0,1,0,1,0,0|2,0,0]=4 396 B9R1.3 CC1=C(I)C(F)=CC=C1 AK-36688 [0,1,0,1,0,0|2,0,0]=4 397 B9R1.3 CC1=CC=CC(Cl)=C1Br AK-76810 [0,1,0,1,0,0|2,0,0]=4 398 B9R1.3 CC1=CC=CC(I)=C1Cl AK-79122 [0,1,0,1,0,0|2,0,0]=4 399 B9R1.3 ClC1=C(C=CC=C1F)O AK-30148 [0,1,0,1,0,0|2,0,0]=4 400 B9R1.3 FC1=C(N)C(=CC=C1)C AK-26980 [0,1,0,1,0,0|2,0,0]=4 401 B9R1.3 FC1=CC=CC(=C1O)N AK-29356 [0,1,0,1,0,0|2,0,0]=4 402 B9R1.3 NC1=C(C(=CC=C1)Cl)O AK-75598 [0,1,0,1,0,0|2,0,0]=4 403 B9R1.3 NC1=C(C)C=CC=C1C AK135982 [0,1,0,1,0,0|2,0,0]=4 404 B9R1.3 NC1=C(C=CC=C1F)O AK-50381 [0,1,0,1,0,0|2,0,0]=4 405 B9R1.3 NC1=C(O)C=CC=C1O AK-76762 [0,1,0,1,0,0|2,0,0]=4 406 B9R1.3 NC1=CC=CC(=C1F)C AK-33947 [0,1,0,1,0,0|2,0,0]=4 407 B9R1.3 NC1=CC=CC(=C1O)C AK-25505 [0,1,0,1,0,0|1,0,0]=3 408 B9R1.3 NC1=CC=CC(C)=C1Br AK-65165 [0,1,0,1,0,0|2,0,0]=4 409 B9R1.3 NC1=CC=CC(C)=C1Cl AK-65171 [0,1,0,1,0,0|2,0,0]=4 410 B9R1.3 NC1=CC=CC(C)=C1N AK-61303 [0,1,0,1,0,0|2,0,0]=4 411 B9R1.3 O=C1C(N)=CC=CN1C AK165118 [0,1,0,1,0,0|2,0,0]=4 412 B9R1.3 O=C1C=CC=C(Br)N1C AK-78126 [0,1,0,1,0,0|2,0,0]=4 413 B9R1.3 O=C1C=CC=C(Cl)N1C AK119855 [0,1,0,1,0,0|2,0,0]=4 414 B9R1.3 OC1=C(Br)C(Cl)=CC=C1 AK-80098 [0,1,0,1,0,0|2,0,0]=4 415 B9R1.3 OC1=C(Br)C=CC=C1Cl AK-79655 [0,1,0,1,0,0|2,0,0]=4 416 B9R1.3 OC1=C(Br)C=CC=C1N AK-29081 [0,1,0,1,0,0|2,0,0]=4 417 B9R1.3 OC1=C(C)C=CC=C1Cl AK135681 [0,1,0,1,0,0|1,0,0]=3 418 B9R1.3 OC1=C(C)C=CN=C1Br AK137324 [0,1,0,1,0,0|2,0,0]=4 419 B9R1.3 OC1=C(Cl)C(Br)=CC=C1 AK-44780 [0,1,0,1,0,0|2,0,0]=4 420 B9R1.3 OC1=C(Cl)C=CC=C1I AK-86081 [0,1,0,1,0,0|2,0,0]=4 421 B9R1.3 OC1=C(F)C(Br)=CC=C1 AK-77624 [0,1,0,1,0,0|2,0,0]=4 422 B9R1.3 OC1=C(F)C=CC=C1Br AK-34017 [0,1,0,1,0,0|2,0,0]=4 423 B9R1.3 OC1=C(F)C=CC=C1Cl AK-23627 [0,1,0,1,0,0|2,0,0]=4 424 B9R1.3 OC1=C(I)C=CC=C1F AK112489 [0,1,0,1,0,0|2,0,0]=4 425 B9R1.3 OC1=C(N)C=CC=C1N AK173060 [0,1,0,1,0,0|2,0,0]=4 426 B9R1.3 OC1=C(O)C(Cl)=CC=C1 AK111103 [0,1,0,1,0,0|1,0,1]=4 427 B9R1.3 OC1=CC=CC(Br)=C1C AK-48915 [0,1,0,1,0,0|2,0,0]=4 428 B9R1.3 OC1=CC=CC(Br)=C1N AK-32926 [0,1,0,1,0,0|2,0,0]=4 429 B9R1.3 OC1=CC=CC(C)=C1Br AK-86289 [0,1,0,1,0,0|1,0,0]=3 430 B9R1.3 OC1=CC=CC(C)=C1F AK-36371 [0,1,0,1,0,0|1,0,0]=3 431 B9R1.3 OC1=CC=CC(C)=C1O AK-76819 [0,1,0,1,0,0|0,0,1]=3 432 B9R1.3 OC1=CC=CC(Cl)=C1F AK-34406 [0,1,0,1,0,0|2,0,0]=4 433 B9R1.3 OC1=CC=CC(Cl)=C1N AK-37263 [0,1,0,1,0,0|2,0,0]=4 434 B9R1.3 OC1=CC=CC(I)=C1Cl AK121946 [0,1,0,1,0,0|2,0,0]=4 435 B9R1.3 OC1=CC=CC(N)=C1N AK-86237 [0,1,0,1,0,0|2,0,0]=4 436 B9R1.3 OC1=CC=CC(N)=C1O AK-72477 [0,1,0,1,0,0|1,0,1]=4 437 B9R1.3 OC1=CC=CC(O)=C1F AK113192 [0,1,0,1,0,0|2,0,0]=4 438 B9R1.3 OC1=CC=CC(O)=C1N AK-41621 [0,1,0,1,0,0|2,0,0]=4 439 B9R1.3 [BH3-][N+]1=C(C)C=CC=C1C AK153144 [0,1,0,1,0,0|2,0,0]=4 440 B9R1.5 O=C1C(O)=CC=CC=C1 AK164435 [0,1,0,1,0,0|0,0,1]=3 441 B9R1.11 BrCC(=O)C1=CC=CS1 AK-53454 [0,1,0,1,0,0|2,0,0]=4 442 B9R1.11 C1=C(C(=O)OC)SC=N1 AK-29865 [0,1,0,1,0,0|2,0,0]=4 443 B9R1.11 COC(=O)C1=CNC=C1 AK-39320 [0,1,0,1,0,0|1,0,1]=4 444 B9R1.11 COC(=O)C1=COC=N1 AK100835 [0,1,0,1,0,0|2,0,0]=4 445 B9R1.11 COC(=O)C1=NC=CO1 AK109950 [0,1,0,1,0,0|2,0,0]=4 446 B9R1.11 O=C(C1=CC=CN1)OC AK-27729 [0,1,0,1,0,0|1,0,0]=3 447 B9R1.11 O=C(C1=CC=CS1)OC AK-48323 [0,1,0,1,0,0|1,0,0]=3 448 B9R1.11 O=C(C1=CCCC1)OC AK-39180 [0,1,0,1,0,0|0,0,2]=4 449 B9R1.11 O=C(C1=CN=CN1)OC AK-25496 [0,1,0,1,0,0|2,0,0]=4 450 B9R1.11 O=C(C1=CN=CN1)OC AK-40808 [0,1,0,1,0,0|2,0,0]=4 451 B9R1.11 O=C(C1=CSC=C1)OC AK-48045 [0,1,0,1,0,0|1,0,1]=4 452 B9R1.11 O=C(C1=CSC=N1)OC AK-21853 [0,1,0,1,0,0|2,0,0]=4 453 B9R1.11 O=C(C1=NC=CN1)OC AK-59662 [0,1,0,1,0,0|2,0,0]=4 454 B9R1.11 O=C(C1=NC=CS1)OC AK-50497 [0,1,0,1,0,0|2,0,0]=4 455 B9R1.11 O=C(C1=NNC=C1)OC AK-31981 [0,1,0,1,0,0|2,0,0]=4 456 B9R1.21 C1=C(OC(=C1)C=O)CO AK-26249 [0,1,0,1,0,0|1,0,1]=4 457 B9R1.21 COC1=CC=C(OC)S1 AK160909 [0,1,0,1,0,0|1,1,0]=4 458 B9R1.21 O=CC1=CC=C(C=O)O1 AK-72875 [0,1,0,1,0,0|1,0,0]=3 459 B9R1.21 O=CC1=CC=C(SC)S1 AK114412 [0,1,0,1,0,0|1,1,0]=4 460 B9R1.6 C1=C(C(=O)C)C=CN=C1 AK-65203 [0,1,0,1,0,0|1,0,1]=4 461 B9R1.6 C1=C(C(C)=O)N=CC=C1 AK-53417 [0,1,0,1,0,0|1,0,1]=4 462 B9R1.6 C1=C(C(N)=O)C=CN=C1 AK-47864 [0,1,0,1,0,0|1,0,1]=4 463 B9R1.6 C1=C(N=CC=N1)C(=O)C AK-16901 [0,1,0,1,0,0|2,0,0]=4 464 B9R1.6 C1=C(N=NC=C1)C(O)=O AK-28139 [0,1,0,1,0,0|1,0,0]=3 465 B9R1.6 C1=CN=CN=C1C(=O)O AK-23926 [0,1,0,1,0,0|1,0,0]=3 466 B9R1.6 C1=NC=CN=C1C(O)=O AK-47505 [0,1,0,1,0,0|1,0,0]=3 467 B9R1.6 C1=NC=NC=C1C(=O)O AK-24470 [0,1,0,1,0,0|1,0,1]=4 468 B9R1.6 CC(=O)C1=CC=CN=N1 AK-83539 [0,1,0,1,0,0|2,0,0]=4 469 B9R1.6 CC(=O)C1=NC=CC=N1 AK-35526 [0,1,0,1,0,0|2,0,0]=4 470 B9R1.6 CC(C1=NC=NC=C1)=O AK-40767 [0,1,0,1,0,0|2,0,0]=4 471 B9R1.6 N1=C(N=CC=C1)C(=O)O AK-24353 [0,1,0,1,0,0|1,0,0]=3 472 B9R1.6 N1=NC=C(C=C1)C(=O)O AK-26044 [0,1,0,1,0,0|1,0,1]=4 473 B9R1.6 NC(=O)C1=CN=CC=N1 AK-94813 [0,1,0,1,0,0|2,0,0]=4 474 B9R1.6 O=C(C1=CCCCO1)O AK-78816 [0,1,0,1,0,0|0,0,2]=4 475 B9R1.6 O=C(Cl)C1=NC=CC=C1 AK-49118 [0,1,0,1,0,0|1,0,1]=4 476 B9R1.6 O=C(N)C1=CC=CC=C1 AK-77684 [0,1,0,1,0,0|1,0,1]=4 477 B9R1.6 O=C(N)C1=CN=CC=C1 AK112769 [0,1,0,1,0,0|1,0,1]=4 478 B9R1.6 O=C(N)C1=NC=CC=C1 AK106190 [0,1,0,1,0,0|1,0,1]=4 479 B9R1.6 O=C(O)C1=CN=CC=C1 AK-46486 [0,1,0,1,0,0|0,0,1]=3 480 B9R1.6 O=C(O)C1=NC=CC=C1 AK-50286 [0,1,0,1,0,0|0,0,1]=3 481 B9R1.6 O=C([C@@H]1CC=CCC1)O AK130960 [0,1,0,1,0,0|0,0,2]=4 482 B9R1.6 O=C([C@H]1CC=CCC1)O AK-77496 [0,1,0,1,0,0|0,0,2]=4 483 B9R1.6 OC(=O)C1=CC=NC=C1 AK-49896 [0,1,0,1,0,0|0,0,1]=3 484 B9R1.6 OC(=O)C1=CCCCC1 AK-48425 [0,1,0,1,0,0|0,0,2]=4 485 B9R1.6 OC(=O)C1CCC=CC1 AK-33140 [0,1,0,1,0,0|0,0,2]=4 486 B9R1.35 BrC1=CC(=CS1)C(=O)O AK-28622 [0,1,0,1,0,0|1,0,1]=4 487 B9R1.35 C1=C(C(=O)O)SC(=N1)N AK-24488 [0,1,0,1,0,0|2,0,0]=4 488 B9R1.35 C1=C(C)[NH]N=C1C(O)=O AK-27812 [0,1,0,1,0,0|2,0,0]=4 489 B9R1.35 C1=C(OC(=C1)Br)C(O)=O AK-35759 [0,1,0,1,0,0|1,0,0]=3 490 B9R1.35 C1=C(OC(=C1)C)C(O)=O AK-44799 [0,1,0,1,0,0|0,0,0]=2 491 B9R1.35 C1=C(ON=C1Br)C(=O)O AK-21783 [0,1,0,1,0,0|2,0,0]=4 492 B9R1.35 C1=C(SC(=C1)C(O)=O)Cl AK-29045 [0,1,0,1,0,0|1,0,0]=3 493 B9R1.35 C1=C(SC(=C1)C)C(=O)C AK-33183 [0,1,0,1,0,0|1,0,0]=3 494 B9R1.35 C1=C(SC(=C1)Cl)C(C)=O AK-47623 [0,1,0,1,0,0|1,1,0]=4 495 B9R1.35 C1=C(SC(=N1)C)C(=O)O AK-35030 [0,1,0,1,0,0|1,0,0]=3 496 B9R1.35 CC(=O)C1=CC=C(C)O1 AK-77189 [0,1,0,1,0,0|1,0,0]=3 497 B9R1.35 CC(=O)C1=NC(C)=CO1 AK-80747 [0,1,0,1,0,0|2,0,0]=4 498 B9R1.35 CC(C1=CC(Cl)=CS1)=O AK-77338 [0,1,0,1,0,0|2,0,0]=4 499 B9R1.35 CC1=CC=C(B(O)O)S1 AK-33560 [0,1,0,1,0,0|1,0,1]=4 500 B9R1.35 CC1=CC=C(N1)C(O)=O AK100045 [0,1,0,1,0,0|0,0,0]=2 501 B9R1.35 CC1=CN=C(S1)C(=O)O AK-26650 [0,1,0,1,0,0|1,0,0]=3 502 B9R1.35 CN1C=CC(=C1)C(O)=O AK-28665 [0,1,0,1,0,0|1,0,0]=3 503 B9R1.35 CN1C=CC(=N1)C(N)=O AK102817 [0,1,0,1,0,0|2,0,0]=4 504 B9R1.35 ClC1=CC(=CS1)C(=O)O AK-29222 [0,1,0,1,0,0|1,0,1]=4 505 B9R1.35 N[C@H]1C=C[C@@H](C(O)=O)C1 AK-65072 [0,1,0,1,0,0|0,0,2]=4 506 B9R1.35 N[C@H]1C=C[C@@H](C(O)=O)C1 AK113066 [0,1,0,1,0,0|0,0,2]=4 507 B9R1.35 O=C(C1=CC(Br)=CN1)N AK106602 [0,1,0,1,0,0|2,0,0]=4 508 B9R1.35 O=C(C1=CC(Br)=CO1)N AK120768 [0,1,0,1,0,0|2,0,0]=4 509 B9R1.35 O=C(C1=CC(Br)=CS1)N AK-90412 [0,1,0,1,0,0|2,0,0]=4 510 B9R1.35 O=C(C1=CC(Br)=CS1)O AK-24697 [0,1,0,1,0,0|1,0,0]=3 511 B9R1.35 O=C(C1=CC(C)=NO1)O AK-29291 [0,1,0,1,0,0|2,0,0]=4 512 B9R1.35 O=C(C1=CC(O)=NO1)O AK-58553 [0,1,0,1,0,0|2,0,0]=4 513 B9R1.35 O=C(C1=CC=C(Br)S1)O AK-26297 [0,1,0,1,0,0|1,0,0]=3 514 B9R1.35 O=C(C1=CC=C(C)S1)O AK-25546 [0,1,0,1,0,0|0,0,0]=2 515 B9R1.35 O=C(C1=CC=C(Cl)O1)O AK-94156 [0,1,0,1,0,0|1,0,0]=3 516 B9R1.35 O=C(C1=CC=C(F)S1)O AK-35162 [0,1,0,1,0,0|1,0,0]=3 517 B9R1.35 O=C(C1=CC=C(I)S1)O AK113691 [0,1,0,1,0,0|1,0,0]=3 518 B9R1.35 O=C(C1=CN(C)C=N1)O AK-30010 [0,1,0,1,0,0|2,0,0]=4 519 B9R1.35 O=C(C1=CN(C)N=C1)O AK-39751 [0,1,0,1,0,0|2,0,0]=4 520 B9R1.35 O=C(C1=CN=C(Br)S1)O AK-26941 [0,1,0,1,0,0|2,0,0]=4 521 B9R1.35 O=C(C1=CN=C(C)O1)O AK-43778 [0,1,0,1,0,0|1,0,0]=3 522 B9R1.35 O=C(C1=CNC(C)=C1)O AK-78330 [0,1,0,1,0,0|1,0,0]=3 523 B9R1.35 O=C(C1=CNC(C)=N1)O AK-78654 [0,1,0,1,0,0|1,0,0]=3 524 B9R1.35 O=C(C1=COC(Br)=N1)O AK-76031 [0,1,0,1,0,0|2,0,0]=4 525 B9R1.35 O=C(C1=COC(I)=N1)O AK-41227 [0,1,0,1,0,0|2,0,0]=4 526 B9R1.35 O=C(C1=CSC(Br)=N1)O AK-23610 [0,1,0,1,0,0|2,0,0]=4 527 B9R1.35 O=C(C1=CSC(Cl)=N1)O AK-48303 [0,1,0,1,0,0|2,0,0]=4 528 B9R1.35 O=C(C1=NC(Br)=CS1)O AK-40795 [0,1,0,1,0,0|2,0,0]=4 529 B9R1.35 O=C(C1=NC(C)=CN1)O AK-29453 [0,1,0,1,0,0|1,0,0]=3 530 B9R1.35 O=C(C1=NC=C(Br)S1)O AK122038 [0,1,0,1,0,0|2,0,0]=4 531 B9R1.35 O=C(C1=NN(C)C=C1)O AK-79303 [0,1,0,1,0,0|1,0,0]=3 532 B9R1.35 O=C(C1=NNC(Br)=C1)O AK128451 [0,1,0,1,0,0|2,0,0]=4 533 B9R1.35 O=C(C1=NNC(Cl)=C1)O AK112708 [0,1,0,1,0,0|2,0,0]=4 534 B9R1.35 O=C(C1=NOC(C)=C1)O AK-25795 [0,1,0,1,0,0|2,0,0]=4 535 B9R1.35 O=C(Cl)C1=CC=C(Cl)S1 AK-48243 [0,1,0,1,0,0|2,0,0]=4 536 B9R1.35 O=C(O)C1=CC(Br)=CO1 AK-41331 [0,1,0,1,0,0|1,0,0]=3 537 B9R1.35 O=C1NN(C(C)=O)C=C1 AK676222 [0,1,0,1,0,0|2,0,0]=4 538 B9R1.35 OC(=O)C1=CC(Br)=CN1 AK-27737 [0,1,0,1,0,0|1,0,0]=3 539 B9R1.35 OC(=O)C1=CC(Cl)=CS1 AK-89071 [0,1,0,1,0,0|1,0,0]=3 540 B9R1.35 OC(=O)C1=CC(F)=CS1 AK-29152 [0,1,0,1,0,0|1,0,0]=3 541 B9R1.35 OC(=O)C1=CC=C(Br)N1 AK100216 [0,1,0,1,0,0|1,0,0]=3 542 B9R1.35 OC(=O)C1=CNC(=O)N1 AK-68699 [0,1,0,1,0,0|2,0,0]=4 543 B9R1.35 OC(=O)C1=COC(Cl)=N1 AK-72648 [0,1,0,1,0,0|2,0,0]=4 544 B9R1.35 OC(=O)C1=NNC(O)=C1 AK-96196 [0,1,0,1,0,0|2,0,0]=4 545 B9R1.69 BrC1=C(C=C(C=C1)C)N AK-26077 [0,1,0,1,0,0|2,0,0]=4 546 B9R1.69 BrC1=C(C=C(C=C1)Cl)O AK-33177 [0,1,0,1,0,0|2,0,0]=4 547 B9R1.69 BrC1=C(C=C(C=C1)O)F AK-25326 [0,1,0,1,0,0|2,0,0]=4 548 B9R1.69 BrC1=C(C=C(C=C1)O)N AK-42044 [0,1,0,1,0,0|2,0,0]=4 549 B9R1.69 BrC1=C(C=CC(=C1)O)C AK-35826 [0,1,0,1,0,0|2,0,0]=4 550 B9R1.69 BrC1=CC(=C(C=C1)C)O AK-23990 [0,1,0,1,0,0|2,0,0]=4 551 B9R1.69 BrC1=CC=C(N=C1C)Cl AK-25366 [0,1,0,1,0,0|2,0,0]=4 552 B9R1.69 BrC1=NC(=C(C=C1)Br)C AK-30361 [0,1,0,1,0,0|2,0,0]=4 553 B9R1.69 C1=C(Br)C=CC(=C1C)N AK-26154 [0,1,0,1,0,0|2,0,0]=4 554 B9R1.69 C1=C(C(=CC=C1Br)O)C AK-25092 [0,1,0,1,0,0|2,0,0]=4 555 B9R1.69 C1=C(C(=CC=C1C)Br)Cl AK-53768 [0,1,0,1,0,0|2,0,0]=4 556 B9R1.69 C1=C(C(=CC=C1C)C)Br AK-47276 [0,1,0,1,0,0|2,0,0]=4 557 B9R1.69 C1=C(C(=CC=C1C)Cl)Br AK-35694 [0,1,0,1,0,0|2,0,0]=4 558 B9R1.69 C1=C(C(=CC=C1C)O)Cl AK-36041 [0,1,0,1,0,0|2,0,0]=4 559 B9R1.69 C1=C(C(=CC=C1F)O)C AK-35220 [0,1,0,1,0,0|2,0,0]=4 560 B9R1.69 C1=C(C(=CC=C1I)N)C AK-33113 [0,1,0,1,0,0|2,0,0]=4 561 B9R1.69 C1=C(C(=CC=C1N)F)C AK-35218 [0,1,0,1,0,0|2,0,0]=4 562 B9R1.69 C1=C(C(=CC=C1O)Cl)F AK-29205 [0,1,0,1,0,0|2,0,0]=4 563 B9R1.69 C1=C(C(=CC=C1O)F)C AK-35219 [0,1,0,1,0,0|1,0,0]=3 564 B9R1.69 C1=C(C(=CC=C1O)N)C AK-47392 [0,1,0,1,0,0|1,0,0]=3 565 B9R1.69 C1=C(C(=CC=C1O)N)F AK-27040 [0,1,0,1,0,0|2,0,0]=4 566 B9R1.69 C1=C(C(=NC(=C1)C)I)O AK-27802 [0,1,0,1,0,0|2,0,0]=4 567 B9R1.69 C1=C(C)C=CC(=C1N)Cl AK-36982 [0,1,0,1,0,0|2,0,0]=4 568 B9R1.69 C1=C(C)C=CC(=C1N)F AK-35225 [0,1,0,1,0,0|2,0,0]=4 569 B9R1.69 C1=C(Cl)C=CC(=C1O)N AK-34515 [0,1,0,1,0,0|2,0,0]=4 570 B9R1.69 C1=C(F)C=CC(=C1O)C AK-47653 [0,1,0,1,0,0|2,0,0]=4 571 B9R1.69 C1=C(F)C=CC(=C1O)Cl AK-34944 [0,1,0,1,0,0|2,0,0]=4 572 B9R1.69 C1=C(F)C=CC(=C1O)N AK-28298 [0,1,0,1,0,0|2,0,0]=4 573 B9R1.69 C1=C(N)C=CC(=C1O)C AK-46680 [0,1,0,1,0,0|2,0,0]=4 574 B9R1.69 C1=C(O)C(=NC(=C1)C)N AK-31272 [0,1,0,1,0,0|2,0,0]=4 575 B9R1.69 C1=CC(=C(N=C1Br)C)F AK-25869 [0,1,0,1,0,0|2,0,0]=4 576 B9R1.69 C1=CC(=NC(=C1Br)Cl)C AK-33834 [0,1,0,1,0,0|2,0,0]=4 577 B9R1.69 C1=CC(=NC(=C1N)C)Cl AK-27752 [0,1,0,1,0,0|2,0,0]=4 578 B9R1.69 C1=CC(=NC(=C1N)Cl)C AK-27681 [0,1,0,1,0,0|2,0,0]=4 579 B9R1.69 CC1=C(Br)C=CC(N)=N1 AK-25963 [0,1,0,1,0,0|2,0,0]=4 580 B9R1.69 CC1=C(C)C=C(I)C=C1 AK-87089 [0,1,0,1,0,0|2,0,0]=4 581 B9R1.69 CC1=C(Cl)C=C(O)C=C1 AK-35860 [0,1,0,1,0,0|2,0,0]=4 582 B9R1.69 CC1=C(I)C=CC(Cl)=C1 AK-34259 [0,1,0,1,0,0|2,0,0]=4 583 B9R1.69 CC1=C(I)C=CC(N)=N1 AK-29500 [0,1,0,1,0,0|2,0,0]=4 584 B9R1.69 CC1=CC(Br)=CC=C1Br AK-87179 [0,1,0,1,0,0|2,0,0]=4 585 B9R1.69 CC1=CC(Br)=CC=C1Cl AK-35614 [0,1,0,1,0,0|2,0,0]=4 586 B9R1.69 CC1=CC(Br)=CC=C1I AK-32928 [0,1,0,1,0,0|2,0,0]=4 587 B9R1.69 CC1=CC(Cl)=CC=C1F AK-53753 [0,1,0,1,0,0|2,0,0]=4 588 B9R1.69 CC1=CC(F)=CC=C1Br AK-35216 [0,1,0,1,0,0|2,0,0]=4 589 B9R1.69 CC1=CC(F)=CC=C1I AK-86335 [0,1,0,1,0,0|2,0,0]=4 590 B9R1.69 CC1=CC(F)=CC=C1N AK-27007 [0,1,0,1,0,0|2,0,0]=4 591 B9R1.69 CC1=CC(I)=C(Br)C=C1 AK-40336 [0,1,0,1,0,0|2,0,0]=4 592 B9R1.69 CC1=CC(I)=CC=C1Br AK-34004 [0,1,0,1,0,0|2,0,0]=4 593 B9R1.69 CC1=CC(I)=CC=C1F AK-35217 [0,1,0,1,0,0|2,0,0]=4 594 B9R1.69 CC1=CC(O)=C(Br)C=C1 AK-89491 [0,1,0,1,0,0|1,0,0]=3 595 B9R1.69 CC1=CC(O)=CN=C1Br AK-41464 [0,1,0,1,0,0|2,0,0]=4 596 B9R1.69 CC1=CC(O)=NC=C1Br AK-30261 [0,1,0,1,0,0|2,0,0]=4 597 B9R1.69 CC1=CC=C(Br)C(Br)=C1 AK-86340 [0,1,0,1,0,0|2,0,0]=4 598 B9R1.69 CC1=CC=C(Br)C(Br)=N1 AK-29953 [0,1,0,1,0,0|2,0,0]=4 599 B9R1.69 CC1=CC=C(Br)C(C)=N1 AK-25808 [0,1,0,1,0,0|2,0,0]=4 600 B9R1.69 CC1=CC=C(Br)C(F)=C1 AK-43505 [0,1,0,1,0,0|2,0,0]=4 601 B9R1.69 CC1=CC=C(Br)C(F)=N1 AK-29244 [0,1,0,1,0,0|2,0,0]=4 602 B9R1.69 CC1=CC=C(Br)C(N)=N1 AK-33048 [0,1,0,1,0,0|2,0,0]=4 603 B9R1.69 CC1=CC=C(C)C(N)=N1 AK-29554 [0,1,0,1,0,0|2,0,0]=4 604 B9R1.69 CC1=CC=C(Cl)C(Cl)=N1 AK-51652 [0,1,0,1,0,0|2,0,0]=4 605 B9R1.69 CC1=CC=C(Cl)N=C1C AK121756 [0,1,0,1,0,0|2,0,0]=4 606 B9R1.69 CC1=CC=C(F)C(Br)=N1 AK-29239 [0,1,0,1,0,0|2,0,0]=4 607 B9R1.69 CC1=CC=C(F)C(Cl)=C1 AK-53765 [0,1,0,1,0,0|2,0,0]=4 608 B9R1.69 CC1=CC=C(F)C(Cl)=N1 AK-29237 [0,1,0,1,0,0|2,0,0]=4 609 B9R1.69 CC1=CC=C(F)C(I)=C1 AK115137 [0,1,0,1,0,0|2,0,0]=4 610 B9R1.69 CC1=CC=C(I)C(Br)=C1 AK117493 [0,1,0,1,0,0|2,0,0]=4 611 B9R1.69 CC1=CC=C(I)C(F)=C1 AK-35223 [0,1,0,1,0,0|2,0,0]=4 612 B9R1.69 CC1=CC=C(I)C(F)=N1 AK-36693 [0,1,0,1,0,0|2,0,0]=4 613 B9R1.69 CC1=CC=C(N)C(Br)=N1 AK-25340 [0,1,0,1,0,0|2,0,0]=4 614 B9R1.69 CC1=CC=C(N)C(N)=C1 AK-45900 [0,1,0,1,0,0|2,0,0]=4 615 B9R1.69 CC1=CC=C(O)C(Br)=N1 AK-31903 [0,1,0,1,0,0|2,0,0]=4 616 B9R1.69 CC1=NC(Br)=CC=C1Cl AK-51011 [0,1,0,1,0,0|2,0,0]=4 617 B9R1.69 CC1=NC(Br)=CC=C1N AK-25062 [0,1,0,1,0,0|2,0,0]=4 618 B9R1.69 CC1=NC(Cl)=CC=C1I AK-29931 [0,1,0,1,0,0|2,0,0]=4 619 B9R1.69 CC1=NC(F)=CC=C1Br AK-34913 [0,1,0,1,0,0|2,0,0]=4 620 B9R1.69 CC1=NC(F)=CC=C1O AK478670 [0,1,0,1,0,0|2,0,0]=4 621 B9R1.69 ClC1=C(C=C(C=C1)C)F AK-46384 [0,1,0,1,0,0|2,0,0]=4 622 B9R1.69 ClC1=C(C=C(C=C1)I)C AK-32929 [0,1,0,1,0,0|2,0,0]=4 623 B9R1.69 ClC1=CC(=C(C=C1)F)O AK-25539 [0,1,0,1,0,0|2,0,0]=4 624 B9R1.69 ClC1=CC=C(C(=N1)C)F AK-30362 [0,1,0,1,0,0|2,0,0]=4 625 B9R1.69 FC1=C(C=CC(=C1)O)C AK-35222 [0,1,0,1,0,0|2,0,0]=4 626 B9R1.69 FC1=CN=C(N=C1O)C AK-68120 [0,1,0,1,0,0|2,0,0]=4 627 B9R1.69 IC1=C(C=C(C=C1)O)C AK-46586 [0,1,0,1,0,0|1,0,0]=3 628 B9R1.69 NC1=C(Cl)C=C(O)C=C1 AK-89330 [0,1,0,1,0,0|2,0,0]=4 629 B9R1.69 NC1=C(Cl)C=CC(O)=C1 AK-33518 [0,1,0,1,0,0|2,0,0]=4 630 B9R1.69 NC1=CC(C)=CC=C1I AK-33114 [0,1,0,1,0,0|2,0,0]=4 631 B9R1.69 NC1=CC=C(Br)C(C)=C1 AK-46353 [0,1,0,1,0,0|2,0,0]=4 632 B9R1.69 NC1=CC=C(C)C=C1Br AK-35743 [0,1,0,1,0,0|2,0,0]=4 633 B9R1.69 NC1=CC=C(C)C=C1Cl AK-35861 [0,1,0,1,0,0|2,0,0]=4 634 B9R1.69 NC1=CC=C(C)C=C1F AK-25990 [0,1,0,1,0,0|2,0,0]=4 635 B9R1.69 NC1=CC=C(C)C=C1I AK-41007 [0,1,0,1,0,0|2,0,0]=4 636 B9R1.69 NC1=CC=C(C)N=C1C AK-39495 [0,1,0,1,0,0|2,0,0]=4 637 B9R1.69 NC1=CC=C(C)N=C1I AK140953 [0,1,0,1,0,0|2,0,0]=4 638 B9R1.69 NC1=CC=C(Cl)C(C)=C1 AK-54911 [0,1,0,1,0,0|2,0,0]=4 639 B9R1.69 NC1=NC(=C(C=C1)F)C AK-37271 [0,1,0,1,0,0|2,0,0]=4 640 B9R1.69 NC1=NC(C)=C(C)C=C1 AK130279 [0,1,0,1,0,0|2,0,0]=4 641 B9R1.69 NC1=NC(C)=CC=C1I AK-77647 [0,1,0,1,0,0|2,0,0]=4 642 B9R1.69 NC1=NC(C)=CC=C1N AK150580 [0,1,0,1,0,0|2,0,0]=4 643 B9R1.69 O=C1C(C)=CC(C=C1)=O AK307409 [0,1,0,1,0,0|1,0,0]=3 644 B9R1.69 O=C1C(N)=CC=C(Br)N1 AK-33149 [0,1,0,1,0,0|2,0,0]=4 645 B9R1.69 O=C1C(N)=NC=C(C)N1 AK143808 [0,1,0,1,0,0|2,0,0]=4 646 B9R1.69 O=C1C=CC(C(=C1)Cl)=O AK307578 [0,1,0,1,0,0|2,0,0]=4 647 B9R1.69 O=C1C=CC(I)=C(C)N1 AK-53679 [0,1,0,1,0,0|1,0,0]=3 648 B9R1.69 OC1=C(Br)C=CC(I)=C1 AK-79113 [0,1,0,1,0,0|2,0,0]=4 649 B9R1.69 OC1=CC(Br)=CC=C1Br AK-34499 [0,1,0,1,0,0|2,0,0]=4 650 B9R1.69 OC1=CC(Br)=CC=C1Cl AK-24766 [0,1,0,1,0,0|2,0,0]=4 651 B9R1.69 OC1=CC(Br)=CC=C1F AK-29778 [0,1,0,1,0,0|2,0,0]=4 652 B9R1.69 OC1=CC(Br)=CC=C1I AK110142 [0,1,0,1,0,0|2,0,0]=4 653 B9R1.69 OC1=CC(Br)=CC=C1N AK-34937 [0,1,0,1,0,0|2,0,0]=4 654 B9R1.69 OC1=CC(C)=C(Cl)N=C1 AK-29367 [0,1,0,1,0,0|2,0,0]=4 655 B9R1.69 OC1=CC(C)=CC=C1F AK-35958 [0,1,0,1,0,0|1,0,0]=3 656 B9R1.69 OC1=CC(C)=CC=C1N AK-86217 [0,1,0,1,0,0|1,0,0]=3 657 B9R1.69 OC1=CC(C)=CN=C1Cl AK126258 [0,1,0,1,0,0|2,0,0]=4 658 B9R1.69 OC1=CC(C)=NC=C1Br AK150768 [0,1,0,1,0,0|2,0,0]=4 659 B9R1.69 OC1=CC(Cl)=C(F)C=C1 AK-34407 [0,1,0,1,0,0|2,0,0]=4 660 B9R1.69 OC1=CC(Cl)=CC=C1I AK-58638 [0,1,0,1,0,0|2,0,0]=4 661 B9R1.69 OC1=CC(F)=CC=C1F AK-34467 [0,1,0,1,0,0|2,0,0]=4 662 B9R1.69 OC1=CC(I)=CC=C1Cl AK-34537 [0,1,0,1,0,0|2,0,0]=4 663 B9R1.69 OC1=CC(I)=CC=C1F AK-33857 [0,1,0,1,0,0|2,0,0]=4 664 B9R1.69 OC1=CC(N)=CC=C1Cl AK-48422 [0,1,0,1,0,0|2,0,0]=4 665 B9R1.69 OC1=CC=C(Br)C(Cl)=C1 AK-46351 [0,1,0,1,0,0|2,0,0]=4 666 B9R1.69 OC1=CC=C(Br)C(O)=C1 AK-61188 [0,1,0,1,0,0|2,0,0]=4 667 B9R1.69 OC1=CC=C(Br)C=C1O AK-61181 [0,1,0,1,0,0|2,0,0]=4 668 B9R1.69 OC1=CC=C(Br)N=C1C AK-61491 [0,1,0,1,0,0|2,0,0]=4 669 B9R1.69 OC1=CC=C(C)C(N)=C1 AK-34510 [0,1,0,1,0,0|2,0,0]=4 670 B9R1.69 OC1=CC=C(C)C(O)=C1 AK-81912 [0,1,0,1,0,0|2,0,0]=4 671 B9R1.69 OC1=CC=C(C)C=C1Br AK-36035 [0,1,0,1,0,0|2,0,0]=4 672 B9R1.69 OC1=CC=C(C)C=C1F AK-53739 [0,1,0,1,0,0|2,0,0]=4 673 B9R1.69 OC1=CC=C(C)C=C1I AK137668 [0,1,0,1,0,0|2,0,0]=4 674 B9R1.69 OC1=CC=C(C)C=C1O AK163402 [0,1,0,1,0,0|1,0,0]=3 675 B9R1.69 OC1=CC=C(C)N=C1C AK-28572 [0,1,0,1,0,0|2,0,0]=4 676 B9R1.69 OC1=CC=C(Cl)C(Br)=C1 AK-45986 [0,1,0,1,0,0|2,0,0]=4 677 B9R1.69 OC1=CC=C(Cl)C(Cl)=N1 AK228448 [0,1,0,1,0,0|2,0,0]=4 678 B9R1.69 OC1=CC=C(Cl)N=C1C AK-84114 [0,1,0,1,0,0|2,0,0]=4 679 B9R1.69 OC1=CC=C(F)C(Br)=C1 AK-26802 [0,1,0,1,0,0|2,0,0]=4 680 B9R1.69 OC1=CC=C(F)C(N)=C1 AK-26193 [0,1,0,1,0,0|2,0,0]=4 681 B9R1.69 OC1=CC=C(F)C(O)=C1 AK-46483 [0,1,0,1,0,0|2,0,0]=4 682 B9R1.69 OC1=CC=C(I)C(Cl)=C1 AK174296 [0,1,0,1,0,0|2,0,0]=4 683 B9R1.69 OC1=CC=C(I)C(F)=C1 AK-84436 [0,1,0,1,0,0|2,0,0]=4 684 B9R1.69 OC1=CC=C(N)C(Br)=C1 AK-54514 [0,1,0,1,0,0|2,0,0]=4 685 B9R1.69 OC1=CC=C(N)C(Cl)=C1 AK-33743 [0,1,0,1,0,0|2,0,0]=4 686 B9R1.69 OC1=CC=C(N)C(F)=C1 AK122288 [0,1,0,1,0,0|2,0,0]=4 687 B9R1.69 OC1=CC=C(N)C(O)=C1 AK-96646 [0,1,0,1,0,0|2,0,0]=4 688 B9R1.69 OC1=CC=C(N)C=C1C AK-34509 [0,1,0,1,0,0|2,0,0]=4 689 B9R1.69 OC1=CC=C(N)C=C1O AK118715 [0,1,0,1,0,0|2,0,0]=4 690 B9R1.69 OC1=CC=C(O)C=C1O AK164434 [0,1,0,1,0,0|2,0,0]=4 691 B9R1.69 OC1=NC(C)=C(Br)C=C1 AK-27759 [0,1,0,1,0,0|1,0,0]=3 692 B9R1.69 OC1=NC(C)=NC=C1Br AK-22108 [0,1,0,1,0,0|2,0,0]=4 693 B9R1.69 OC1=NC(F)=C(I)C=C1 AK-55172 [0,1,0,1,0,0|2,0,0]=4 694 B9R1.19 O=S(C1=CC=CS1)(O)=O AK-53556 [0,1,0,1,0,0|2,0,0]=4