0 B7R1.2 BrC1=CN=C(N)S1 AK-26181 [0,0,0,0,0,0|4,0,0]=4 1 B7R1.2 BrC1=CSC(=C1)C AK-28080 [0,0,0,0,0,0|3,0,0]=3 2 B7R1.2 BrC1=NC=C(S1)C AK-23612 [0,0,0,0,0,0|3,0,0]=3 3 B7R1.2 BrC1=NC=C(S1)Cl AK-30271 [0,0,0,0,0,0|4,0,0]=4 4 B7R1.2 BrC1=NN=C(S1)C AK-29359 [0,0,0,0,0,0|4,0,0]=4 5 B7R1.2 C1=C(Br)C=N[N]1C AK-26682 [0,0,0,0,0,0|4,0,0]=4 6 B7R1.2 C1=C(Br)SC(=C1)Br AK-46301 [0,0,0,0,0,0|3,0,0]=3 7 B7R1.2 C1=C(C)N=C(N)S1 AK-33524 [0,0,0,0,0,0|2,0,1]=3 8 B7R1.2 C1=C(C)SC(=N1)C AK-46393 [0,0,0,0,0,0|2,0,0]=2 9 B7R1.2 C1=C(C)[NH]N=C1C AK-50030 [0,0,0,0,0,0|3,0,0]=3 10 B7R1.2 C1=C(N=C(Br)S1)Br AK-27022 [0,0,0,0,0,0|3,0,1]=4 11 B7R1.2 C1=C(N=C(C)S1)C AK-35570 [0,0,0,0,0,0|1,0,1]=2 12 B7R1.2 C1=C(SC(=C1)Br)C AK-36324 [0,0,0,0,0,0|2,0,0]=2 13 B7R1.2 C1=C(SC(=N1)Br)Br AK-35104 [0,0,0,0,0,0|4,0,0]=4 14 B7R1.2 C1=C(SC(=N1)N)C AK-26992 [0,0,0,0,0,0|3,0,0]=3 15 B7R1.2 C1=C([NH]C(=N1)C)C AK-36899 [0,0,0,0,0,0|1,0,0]=1 16 B7R1.2 C1=C[N](N=C1C)C AK-47383 [0,0,0,0,0,0|1,0,1]=2 17 B7R1.2 C1=C[N](N=C1N)C AK-25543 [0,0,0,0,0,0|2,0,1]=3 18 B7R1.2 C1=N[N](C=C1C)C AK-47523 [0,0,0,0,0,0|3,0,0]=3 19 B7R1.2 CC1=CC(Br)=NN1 AK-49142 [0,0,0,0,0,0|4,0,0]=4 20 B7R1.2 CC1=CC(Br)=NO1 AK-34396 [0,0,0,0,0,0|4,0,0]=4 21 B7R1.2 CC1=CC(I)=NN1 AK100667 [0,0,0,0,0,0|4,0,0]=4 22 B7R1.2 CC1=CC(N)=NO1 AK-32792 [0,0,0,0,0,0|4,0,0]=4 23 B7R1.2 CC1=CN=C(Cl)S1 AK-34726 [0,0,0,0,0,0|3,0,0]=3 24 B7R1.2 CC1=CNC(I)=N1 AK113414 [0,0,0,0,0,0|2,0,1]=3 25 B7R1.2 CC1=CSC(Br)=N1 AK-23607 [0,0,0,0,0,0|2,0,1]=3 26 B7R1.2 CC1=NC=C(I)[NH]1 AK-32021 [0,0,0,0,0,0|2,0,0]=2 27 B7R1.2 CC1=NN=C(Br)O1 AK154074 [0,0,0,0,0,0|4,0,0]=4 28 B7R1.2 CC1=NN=C(C)N1 AK-32124 [0,0,0,0,0,0|2,0,0]=2 29 B7R1.2 CC1=NN=C(C)O1 AK-54981 [0,0,0,0,0,0|3,0,0]=3 30 B7R1.2 CC1=NN=C(S)S1 AK307153 [0,0,0,0,0,0|4,0,0]=4 31 B7R1.2 CC1=NNC(Br)=C1 AK100666 [0,0,0,0,0,0|4,0,0]=4 32 B7R1.2 CC1=NNC(Cl)=C1 AK-80228 [0,0,0,0,0,0|4,0,0]=4 33 B7R1.2 CC1=NNC(N)=C1 AK111310 [0,0,0,0,0,0|4,0,0]=4 34 B7R1.2 CC1=NOC(N)=C1 AK-33327 [0,0,0,0,0,0|4,0,0]=4 35 B7R1.2 CC1=NSC(Br)=N1 AK-90235 [0,0,0,0,0,0|3,0,1]=4 36 B7R1.2 CC1=NSC(N)=N1 AK-33703 [0,0,0,0,0,0|3,0,1]=4 37 B7R1.2 CN1C=C(I)N=C1 AK-29464 [0,0,0,0,0,0|4,0,0]=4 38 B7R1.2 CN1C=CC(I)=N1 AK-86815 [0,0,0,0,0,0|2,0,1]=3 39 B7R1.2 CN1N=C(Br)C=C1 AK-28794 [0,0,0,0,0,0|2,0,1]=3 40 B7R1.2 CN1N=C(Br)N=C1 AK-88726 [0,0,0,0,0,0|3,0,1]=4 41 B7R1.2 CN1N=CC(I)=C1 AK-54604 [0,0,0,0,0,0|4,0,0]=4 42 B7R1.2 C[N+]1=CN(C)C=C1 AK113093 [0,0,0,0,0,0|3,0,0]=3 43 B7R1.2 C[N]1C=C(C=N1)N AK-30314 [0,0,0,0,0,0|4,0,0]=4 44 B7R1.2 ClC1=CC=C(Cl)S1 AK112943 [0,0,0,0,0,0|3,0,0]=3 45 B7R1.2 ClC1=CC=C(I)S1 AK-82112 [0,0,0,0,0,0|3,0,0]=3 46 B7R1.2 ClC1=CSC(Br)=N1 AK128270 [0,0,0,0,0,0|3,0,1]=4 47 B7R1.2 ClC1=C[N](N=C1)C AK-49050 [0,0,0,0,0,0|4,0,0]=4 48 B7R1.2 ClC1=NC(=CS1)Cl AK-23570 [0,0,0,0,0,0|3,0,1]=4 49 B7R1.2 ClC1=NC(=NS1)C AK-24499 [0,0,0,0,0,0|3,0,1]=4 50 B7R1.2 NC1=CN(C)C=N1 AK-77405 [0,0,0,0,0,0|4,0,0]=4 51 B7R1.2 NC1=CN(C)N=C1 AK-40078 [0,0,0,0,0,0|4,0,0]=4 52 B7R1.2 NC1=CN=C(C)S1 AK-85981 [0,0,0,0,0,0|3,0,0]=3 53 B7R1.2 NC1=CSC(Br)=N1 AK-54917 [0,0,0,0,0,0|3,0,1]=4 54 B7R1.2 NC1=CSC(C)=N1 AK165023 [0,0,0,0,0,0|2,0,1]=3 55 B7R1.2 NC1=NC(=CS1)Br AK-24535 [0,0,0,0,0,0|3,0,1]=4 56 B7R1.2 NC1=NC(N)=CS1 AK-68884 [0,0,0,0,0,0|3,0,1]=4 57 B7R1.2 NC1=NC=C(Br)S1 AK-44331 [0,0,0,0,0,0|4,0,0]=4 58 B7R1.2 NC1=NC=C(F)S1 AK-37762 [0,0,0,0,0,0|4,0,0]=4 59 B7R1.2 NC1=NN(C)C=N1 AK105396 [0,0,0,0,0,0|3,0,1]=4 60 B7R1.2 NC1=NN=C(C)O1 AK-35499 [0,0,0,0,0,0|4,0,0]=4 61 B7R1.2 NC1=NNC(C)=C1 AK-29128 [0,0,0,0,0,0|4,0,0]=4 62 B7R1.2 NC1=NOC(C)=N1 AK-94935 [0,0,0,0,0,0|3,0,1]=4 63 B7R1.2 O=C1CC(C)=NN1 AK-28727 [0,0,0,0,0,0|4,0,0]=4 64 B7R1.2 O=C1COC(C)=C1 AK142223 [0,0,0,0,0,0|3,0,1]=4 65 B7R1.2 O=C1NC(CC1)=O AK550047 [0,0,0,0,0,0|2,0,2]=4 66 B7R1.2 O=C1NC(CN1)=O AK307300 [0,0,0,0,0,0|3,0,1]=4 67 B7R1.2 O=C1NC(CO1)=O AK-80133 [0,0,0,0,0,0|3,0,1]=4 68 B7R1.2 O=C1NN(C)C=C1 AK-67583 [0,0,0,0,0,0|2,0,0]=2 69 B7R1.2 O=C1NNC(C)=C1 AK-25972 [0,0,0,0,0,0|4,0,0]=4 70 B7R1.2 O=C1NOC(C)=C1 AK158281 [0,0,0,0,0,0|4,0,0]=4 71 B7R1.2 O=C1OC(C)=CC1 AK601784 [0,0,0,0,0,0|2,0,1]=3 72 B7R1.2 O=C1OC[C@@H](C)N1 AK115788 [0,0,0,0,0,0|2,0,2]=4 73 B7R1.2 O=C1SCC(N1)=O AK-46286 [0,0,0,0,0,0|3,0,1]=4 74 B7R1.2 OC1=CN(C)N=C1 AK311462 [0,0,0,0,0,0|4,0,0]=4 75 B7R1.2 OC1=NC(Br)=CS1 AK112691 [0,0,0,0,0,0|3,0,1]=4 76 B6R1.2 BrC1=NC=CN1 AK-60873 [1,0,0,0,0,0|2,0,0]=3 77 B6R1.2 BrC1=NC=CS1 AK130463 [1,0,0,0,0,0|2,0,1]=4 78 B6R1.2 BrC1=NOC=C1 AK-32851 [1,0,0,0,0,0|2,0,1]=4 79 B6R1.2 BrC1=N[NH]C=C1 AK-23694 [1,0,0,0,0,0|2,0,1]=4 80 B6R1.2 C1=C(Br)SC=N1 AK-22153 [1,0,0,0,0,0|3,0,0]=4 81 B6R1.2 C1=C(Cl)[NH]C=N1 AK-39375 [1,0,0,0,0,0|2,0,0]=3 82 B6R1.2 C1=C(N=CS1)C AK-27071 [1,0,0,0,0,0|1,0,1]=3 83 B6R1.2 C1=C([NH]C=N1)Br AK-29028 [1,0,0,0,0,0|2,0,0]=3 84 B6R1.2 C1=C([NH]N=C1)C AK-47298 [1,0,0,0,0,0|1,0,0]=2 85 B6R1.2 C1=CN=C(Cl)S1 AK-21986 [1,0,0,0,0,0|2,0,1]=4 86 B6R1.2 C1=CN=C([NH]1)N AK-25424 [1,0,0,0,0,0|2,0,0]=3 87 B6R1.2 C1=CSC(=N1)C AK-25844 [1,0,0,0,0,0|1,0,1]=3 88 B6R1.2 C1=CSC=C1I AK-73044 [1,0,0,0,0,0|3,0,0]=4 89 B6R1.2 C1=NC(=CS1)Br AK-23755 [1,0,0,0,0,0|2,0,1]=4 90 B6R1.2 C1=NC=C(I)[NH]1 AH-10005 [1,0,0,0,0,0|2,0,0]=3 91 B6R1.2 C1=N[NH]C(=C1)N AK-23634 [1,0,0,0,0,0|2,0,0]=3 92 B6R1.2 C1=N[NH]C(=N1)Br AK-40012 [1,0,0,0,0,0|3,0,0]=4 93 B6R1.2 C1=N[NH]C=C1C AK-46480 [1,0,0,0,0,0|3,0,0]=4 94 B6R1.2 C1=N[N](C=N1)C AK-51663 [1,0,0,0,0,0|2,0,1]=4 95 B6R1.2 CC1=CN=CS1 AK-40769 [1,0,0,0,0,0|2,0,0]=3 96 B6R1.2 CC1=CNC=C1 AK-59534 [1,0,0,0,0,0|2,0,0]=3 97 B6R1.2 CC1=CNN=N1 AK-38543 [1,0,0,0,0,0|2,0,1]=4 98 B6R1.2 CC1=NC=CN1 AK-76902 [1,0,0,0,0,0|1,0,0]=2 99 B6R1.2 CC1=NN=CO1 AK-50870 [1,0,0,0,0,0|2,0,1]=4 100 B6R1.2 CC1=NNC=N1 AK-46139 [1,0,0,0,0,0|2,0,1]=4 101 B6R1.2 CC1=NON=C1 AK-49621 [1,0,0,0,0,0|2,0,1]=4 102 B6R1.2 CN1C=CN=N1 AK-60587 [1,0,0,0,0,0|2,0,1]=4 103 B6R1.2 ClC1=CC=NN1 AK132931 [1,0,0,0,0,0|2,0,0]=3 104 B6R1.2 ClC1=CSC=N1 AK-23769 [1,0,0,0,0,0|2,0,1]=4 105 B6R1.2 ClC1=NC=CN1 AK-60874 [1,0,0,0,0,0|2,0,0]=3 106 B6R1.2 ClC1=NNC=C1 AK-64806 [1,0,0,0,0,0|2,0,1]=4 107 B6R1.2 FC1=NC=CN1 AK143276 [1,0,0,0,0,0|2,0,0]=3 108 B6R1.2 IC1=CC=CS1 AK-77599 [1,0,0,0,0,0|2,0,0]=3 109 B6R1.2 IC1=NNC=C1 AK-31094 [1,0,0,0,0,0|2,0,1]=4 110 B6R1.2 N1=CC=C([NH]1)N AK-36860 [1,0,0,0,0,0|2,0,0]=3 111 B6R1.2 NC1=CC=NO1 AK-46390 [1,0,0,0,0,0|3,0,0]=4 112 B6R1.2 NC1=CN=CN1 AK110462 [1,0,0,0,0,0|2,0,0]=3 113 B6R1.2 NC1=CSC=N1 AK142332 [1,0,0,0,0,0|2,0,1]=4 114 B6R1.2 NC1=NC=CN1 AK112047 [1,0,0,0,0,0|2,0,0]=3 115 B6R1.2 NC1=NC=CO1 AK-25998 [1,0,0,0,0,0|2,0,1]=4 116 B6R1.2 NC1=NC=CS1 AK-44151 [1,0,0,0,0,0|2,0,1]=4 117 B6R1.2 NC1=NC=CS1 AK112070 [1,0,0,0,0,0|2,0,1]=4 118 B6R1.2 NC1=NOC=C1 AK-25502 [1,0,0,0,0,0|2,0,1]=4 119 B6R1.2 NN1C=CC=C1 AK-88561 [1,0,0,0,0,0|3,0,0]=4 120 B6R1.2 NN1N=CC=C1 AK-31764 [1,0,0,0,0,0|2,0,1]=4 121 B6R1.2 O=C1CC=NN1 AK-90809 [1,0,0,0,0,0|2,0,1]=4 122 B6R1.2 O=C1NC=CN1 AK-45238 [1,0,0,0,0,0|2,0,0]=3 123 B6R1.2 O=C1NNC=C1 AK-58738 [1,0,0,0,0,0|2,0,0]=3 124 B6R1.2 O=C1NSC=C1 AK101140 [1,0,0,0,0,0|2,0,0]=3 125 B6R1.2 O=C1OCC=C1 AK163254 [1,0,0,0,0,0|2,0,1]=4 126 B6R1.2 OC1=NC=CS1 AK-29553 [1,0,0,0,0,0|2,0,1]=4 127 B6R1.2 OC1=NNC=C1 AK-96005 [1,0,0,0,0,0|2,0,1]=4 128 B6R1.2 ON1N=CC=C1 AK115932 [1,0,0,0,0,0|2,0,1]=4 129 B6R1.2 S1C(=CN=C1)N AK-28900 [1,0,0,0,0,0|3,0,0]=4 130 B6R1.2 S=C1NC=CN1 AK134899 [1,0,0,0,0,0|2,0,0]=3 131 B8R1.1 BrC1=CC=C(S1)C#N AK-34110 [0,1,0,0,0,0|2,0,1]=4 132 B8R1.1 BrCC1=CN=C(Br)S1 AK-57693 [0,1,0,0,0,0|3,0,0]=4 133 B8R1.1 C1=C(N=C(S1)Br)CO AK-23616 [0,1,0,0,0,0|2,0,1]=4 134 B8R1.1 C1=C(N=C(S1)C)C=O AK-25586 [0,1,0,0,0,0|1,0,2]=4 135 B8R1.1 C1=C(N=C(S1)N)CCl AK-22008 [0,1,0,0,0,0|2,0,1]=4 136 B8R1.1 C1=C(SC(=C1)Br)C=O AK-35268 [0,1,0,0,0,0|2,0,1]=4 137 B8R1.1 C1=C(SC(=N1)Br)CO AK-23617 [0,1,0,0,0,0|3,0,0]=4 138 B8R1.1 CC1=CC(CO)=NO1 AK-29211 [0,1,0,0,0,0|3,0,0]=4 139 B8R1.1 CC1=CC=C(S1)C=O AK-30245 [0,1,0,0,0,0|1,0,1]=3 140 B8R1.1 CC1=CN=C(CC)N1 AK161824 [0,1,0,0,0,0|1,0,0]=2 141 B8R1.1 CC1=CSC(C#C)=N1 AK150653 [0,1,0,0,0,0|1,0,2]=4 142 B8R1.1 CC1=CSC(CC)=N1 AK114234 [0,1,0,0,0,0|1,0,1]=3 143 B8R1.1 CC1=NC(C=O)=CO1 AK-68492 [0,1,0,0,0,0|1,0,2]=4 144 B8R1.1 CC1=NC(CBr)=CS1 AK174562 [0,1,0,0,0,0|1,0,1]=3 145 B8R1.1 CC1=NC(CCl)=NO1 AK-23662 [0,1,0,0,0,0|2,0,1]=4 146 B8R1.1 CC1=NC=C(CBr)S1 AK143697 [0,1,0,0,0,0|2,0,0]=3 147 B8R1.1 CC1=NOC(CBr)=C1 AK-86975 [0,1,0,0,0,0|3,0,0]=4 148 B8R1.1 CC1=NOC(CO)=C1 AK105202 [0,1,0,0,0,0|3,0,0]=4 149 B8R1.1 CCC1=CC=C(C)S1 AK103790 [0,1,0,0,0,0|1,0,0]=2 150 B8R1.1 CN1C=C(CCl)N=C1 AK142814 [0,1,0,0,0,0|3,0,0]=4 151 B8R1.1 CN1C=C(CO)C=N1 AK-54525 [0,1,0,0,0,0|3,0,0]=4 152 B8R1.1 CN1C=CC(=N1)C#N AK-93991 [0,1,0,0,0,0|1,0,2]=4 153 B8R1.1 CN1C=C[N+](CC)=C1 AK161828 [0,1,0,0,0,0|3,0,0]=4 154 B8R1.1 CN1N=CC(CBr)=C1 AK171077 [0,1,0,0,0,0|3,0,0]=4 155 B8R1.1 C[N+]1=CN(CC)C=C1 AK161830 [0,1,0,0,0,0|3,0,0]=4 156 B8R1.1 C[N+]1=CN(CC)C=C1 AK176161 [0,1,0,0,0,0|3,0,0]=4 157 B8R1.1 C[N]1C=CC(=N1)C=O AK-39769 [0,1,0,0,0,0|1,0,2]=4 158 B8R1.1 C[N]1C=NC(=N1)CO AK-42048 [0,1,0,0,0,0|2,0,1]=4 159 B8R1.1 ClC1=CC=C(S1)C#C AK-59107 [0,1,0,0,0,0|2,0,1]=4 160 B8R1.1 ClC1=NC=C(S1)CN AK-22135 [0,1,0,0,0,0|3,0,0]=4 161 B8R1.1 ClC1=NC=C(S1)CN AK-24052 [0,1,0,0,0,0|3,0,0]=4 162 B8R1.1 ClCC1=CC=C(Cl)S1 AK112065 [0,1,0,0,0,0|2,0,0]=3 163 B8R1.1 ClCC1=NNC(=O)N1 AK-72884 [0,1,0,0,0,0|3,0,0]=4 164 B8R1.1 N#CC1=CC=C(Br)O1 AK145113 [0,1,0,0,0,0|2,0,1]=4 165 B8R1.1 N#CC1=CC=C(C)S1 AK128470 [0,1,0,0,0,0|1,0,1]=3 166 B8R1.1 N#CC1=CC=C(N)S1 AK128561 [0,1,0,0,0,0|2,0,1]=4 167 B8R1.1 N#CC1=CSC(C)=N1 AK-32043 [0,1,0,0,0,0|1,0,2]=4 168 B8R1.1 NC1=NC(=CS1)CO AK-22009 [0,1,0,0,0,0|2,0,1]=4 169 B8R1.1 NC1=NC=C(CC)S1 AK112702 [0,1,0,0,0,0|3,0,0]=4 170 B8R1.1 NCC1=CC(Br)=CS1 AK-77634 [0,1,0,0,0,0|3,0,0]=4 171 B8R1.1 NCC1=CC=C(Br)S1 AK-68661 [0,1,0,0,0,0|2,0,0]=3 172 B8R1.1 NCC1=CC=C(Cl)S1 AK170725 [0,1,0,0,0,0|2,0,0]=3 173 B8R1.1 NCC1=CN(C)N=C1 AK-35034 [0,1,0,0,0,0|3,0,0]=4 174 B8R1.1 NCC1=CN(C)N=C1 AK-76415 [0,1,0,0,0,0|3,0,0]=4 175 B8R1.1 NCC1=CN=C(Br)S1 AK164387 [0,1,0,0,0,0|3,0,0]=4 176 B8R1.1 NCC1=COC(C)=N1 AK668192 [0,1,0,0,0,0|1,0,1]=3 177 B8R1.1 NCC1=NOC(C)=C1 AK153364 [0,1,0,0,0,0|3,0,0]=4 178 B8R1.1 NCC1=NOC(C)=N1 AK184311 [0,1,0,0,0,0|2,0,1]=4 179 B8R1.1 O=CC1=CC=C(Br)O1 AK-32379 [0,1,0,0,0,0|2,0,1]=4 180 B8R1.1 O=CC1=CC=C(C)O1 AK-94177 [0,1,0,0,0,0|1,0,1]=3 181 B8R1.1 O=CC1=CC=C(Cl)O1 AK158080 [0,1,0,0,0,0|2,0,1]=4 182 B8R1.1 O=CC1=CC=C(Cl)S1 AK-48469 [0,1,0,0,0,0|2,0,1]=4 183 B8R1.1 O=CC1=CN=C(C)O1 AK-25452 [0,1,0,0,0,0|2,0,1]=4 184 B8R1.1 O=CC1=CN=C(C)S1 AK-32616 [0,1,0,0,0,0|2,0,1]=4 185 B8R1.1 O=CC1=CSC(C)=C1 AK138065 [0,1,0,0,0,0|2,0,1]=4 186 B8R1.1 OCC1=CC(Br)=CS1 AK-36412 [0,1,0,0,0,0|3,0,0]=4 187 B8R1.1 OCC1=CC=C(C)O1 AK135169 [0,1,0,0,0,0|1,0,0]=2 188 B8R1.1 OCC1=CN(C)C=N1 AK-44293 [0,1,0,0,0,0|3,0,0]=4 189 B8R1.1 OCC1=CN=C(C)O1 AK154941 [0,1,0,0,0,0|2,0,0]=3 190 B8R1.1 OCC1=CN=C(N)S1 AK-57568 [0,1,0,0,0,0|3,0,0]=4 191 B8R1.1 OCC1=CN=C(N)S1 AK164238 [0,1,0,0,0,0|3,0,0]=4 192 B8R1.1 OCC1=NC=C(C)S1 AK-48006 [0,1,0,0,0,0|2,0,0]=3 193 B8R1.1 OCC1=NN(C)C=C1 AK139734 [0,1,0,0,0,0|1,0,1]=3 194 B8R1.1 OCC1=NN=C(C)S1 AK343138 [0,1,0,0,0,0|3,0,0]=4 195 B8R1.18 BrC1=NC(=C(S1)C)C AK-40981 [0,1,0,0,0,0|2,0,1]=4 196 B8R1.18 CC1=C(Br)N=C(Br)S1 AK100270 [0,1,0,0,0,0|3,0,0]=4 197 B8R1.18 CC1=C(Br)N=C(N)S1 AK-76836 [0,1,0,0,0,0|3,0,0]=4 198 B8R1.18 CC1=C(C)N=C(N)S1 AK-34230 [0,1,0,0,0,0|2,0,1]=4 199 B8R1.18 CC1=C(Cl)SC(Cl)=C1 AK-63384 [0,1,0,0,0,0|3,0,0]=4 200 B8R1.18 CC1=C(N=C([NH]1)Br)Br AK-28997 [0,1,0,0,0,0|2,0,0]=3 201 B8R1.18 CC1=C(OC(O1)=O)C AK-49114 [0,1,0,0,0,0|3,0,0]=4 202 B8R1.18 CC1=CC(Br)=NN1C AK142229 [0,1,0,0,0,0|2,0,1]=4 203 B8R1.18 CC1=CC(C)=NN1C AK-32793 [0,1,0,0,0,0|1,0,1]=3 204 B8R1.18 CC1=NC(C)=C(C)S1 AK-58544 [0,1,0,0,0,0|1,0,1]=3 205 B8R1.18 CC1=NN(C)C=C1I AK501768 [0,1,0,0,0,0|1,0,1]=3 206 B8R1.18 CC1=NN(C)N=C1Br AK-38687 [0,1,0,0,0,0|2,0,1]=4 207 B8R1.18 CN1C(=O)CC(=N1)C AK-72987 [0,1,0,0,0,0|1,0,2]=4 208 B8R1.18 CN1N=C(Br)C=C1N AK-51332 [0,1,0,0,0,0|2,0,1]=4 209 B8R1.18 CN1N=C(C)C=C1N AK-44339 [0,1,0,0,0,0|1,0,1]=3 210 B8R1.18 C[N]1C(=CC(=N1)C)O AK-39754 [0,1,0,0,0,0|1,0,1]=3 211 B8R1.18 NC1=CN(C)N=C1C AK117155 [0,1,0,0,0,0|1,0,1]=3 212 B8R1.18 NC1=NC(=C(S1)Br)C AK-23596 [0,1,0,0,0,0|2,0,1]=4 213 B8R1.18 NC1=NC(=C(S1)Br)C AK-23597 [0,1,0,0,0,0|2,0,1]=4 214 B8R1.18 NC1=NC(C)=C(C)S1 AK-93474 [0,1,0,0,0,0|2,0,1]=4 215 B8R1.18 NC1=NN(C)C(C)=C1 AK-81604 [0,1,0,0,0,0|2,0,1]=4 216 B8R1.18 NC1=NN(C)C=C1Br AK122027 [0,1,0,0,0,0|2,0,1]=4 217 B8R1.18 O=C1C(Br)=CC(O1)=O AK-43651 [0,1,0,0,0,0|3,0,0]=4 218 B8R1.18 O=C1N(C)SC(Cl)=C1 AK128362 [0,1,0,0,0,0|3,0,0]=4 219 B8R1.18 O=C1N[C@@H](C)C(O1)=O AK109319 [0,1,0,0,0,0|2,0,1]=4 220 B8R1.18 OC1=CC(N)=NN1C AK139720 [0,1,0,0,0,0|2,0,1]=4 221 B8R1.50 CC1=C(Br)C(C)=NO1 AK-40049 [0,1,0,0,0,0|3,0,0]=4 222 B8R1.50 CC1=C(Br)N(C)C=N1 AK155413 [0,1,0,0,0,0|3,0,0]=4 223 B8R1.50 CC1=NC=C(Br)N1C AK-39971 [0,1,0,0,0,0|2,0,0]=3 224 B8R1.50 CC1=NOC(=C1I)C AK-32755 [0,1,0,0,0,0|3,0,0]=4 225 B8R1.50 CC1=N[NH]C(=C1I)C AK-34009 [0,1,0,0,0,0|3,0,0]=4 226 B8R1.50 NC1=C(C)ON=C1C AK114014 [0,1,0,0,0,0|3,0,0]=4 227 B8R1.50 S=C1NN=C(C)N1C AK-34970 [0,1,0,0,0,0|3,0,0]=4 228 B6R0.2 CC(=O)NC(N)=N AK-47569 [0,0,1,0,0,0|3,0,0]=4 229 B6R0.2 CC(NC(C)C)=O AK-86542 [0,0,1,0,0,0|1,0,2]=4 230 B6R0.2 CC(\C=C(N)\C)=O AK-39642 [0,0,1,0,0,0|3,0,0]=4 231 B8R1.3 BrC1=CC=C(Br)C=C1 AK-77031 [0,0,0,0,0,1|3,0,0]=4 232 B8R1.3 BrC1=CC=C(N=C1)S AK-40609 [0,0,0,0,0,1|2,0,1]=4 233 B8R1.3 BrC1=CC=C(N=N1)C AK-39367 [0,0,0,0,0,1|1,0,1]=3 234 B8R1.3 BrC1=CC=C(N=N1)Cl AK-23689 [0,0,0,0,0,1|2,0,1]=4 235 B8R1.3 BrC1=CN=C(Br)C=C1 AK-26195 [0,0,0,0,0,1|2,0,1]=4 236 B8R1.3 BrC1=CN=C(N=C1)C AK-25093 [0,0,0,0,0,1|2,0,1]=4 237 B8R1.3 BrC1=NC=C(C=N1)C AK-27837 [0,0,0,0,0,1|2,0,1]=4 238 B8R1.3 C1=C(Br)C=CC(=N1)Cl AK-26091 [0,0,0,0,0,1|2,0,1]=4 239 B8R1.3 C1=C(Br)N=CC(=C1)C AK-25828 [0,0,0,0,0,1|1,0,1]=3 240 B8R1.3 C1=C(C=NC(=C1)Br)F AK-25950 [0,0,0,0,0,1|2,0,1]=4 241 B8R1.3 C1=C(C=NC(=C1)C)N AK-26763 [0,0,0,0,0,1|1,0,1]=3 242 B8R1.3 C1=C(C=NC(=C1)Cl)O AK-25948 [0,0,0,0,0,1|2,0,1]=4 243 B8R1.3 C1=C(C=NC(=C1)N)I AK-27741 [0,0,0,0,0,1|2,0,1]=4 244 B8R1.3 C1=C(I)C=CC(=N1)Br AK-29482 [0,0,0,0,0,1|2,0,1]=4 245 B8R1.3 C1=C(I)N=CC(=C1)Br AK-27955 [0,0,0,0,0,1|2,0,1]=4 246 B8R1.3 C1=C(N=NC(=C1)Cl)N AK-17001 [0,0,0,0,0,1|2,0,1]=4 247 B8R1.3 C1=C(O)C=NC(=C1)C AK-27703 [0,0,0,0,0,1|1,0,1]=3 248 B8R1.3 C1=CC(=CC=C1Br)I AK-46448 [0,0,0,0,0,1|3,0,0]=4 249 B8R1.3 C1=CC(=CC=C1I)I AK-72778 [0,0,0,0,0,1|3,0,0]=4 250 B8R1.3 C1=CC(=NC=C1Br)C AK-25801 [0,0,0,0,0,1|1,0,1]=3 251 B8R1.3 C1=CC(=NC=C1Br)N AK-26973 [0,0,0,0,0,1|2,0,1]=4 252 B8R1.3 C1=CC(=NC=C1Cl)Cl AK-33531 [0,0,0,0,0,1|2,0,1]=4 253 B8R1.3 C1=CC(=NN=C1Br)Br AK-23668 [0,0,0,0,0,1|2,0,1]=4 254 B8R1.3 C1=CC(=NN=C1F)F AK-24229 [0,0,0,0,0,1|2,0,1]=4 255 B8R1.3 C1=NC(=CC=C1F)N AK-25604 [0,0,0,0,0,1|2,0,1]=4 256 B8R1.3 C1=NC(=CC=C1I)Cl AK-24891 [0,0,0,0,0,1|2,0,1]=4 257 B8R1.3 C1=NC(=CN=C1C)C AK-33017 [0,0,0,0,0,1|1,0,1]=3 258 B8R1.3 C1=NC(=NC=C1N)C AK-24688 [0,0,0,0,0,1|2,0,1]=4 259 B8R1.3 CC1=CC=C(Cl)N=N1 AK-28484 [0,0,0,0,0,1|1,0,1]=3 260 B8R1.3 CC1=CC=C(I)C=C1 AK-95999 [0,0,0,0,0,1|2,0,0]=3 261 B8R1.3 CC1=CN=C(Cl)C=C1 AK-33822 [0,0,0,0,0,1|1,0,1]=3 262 B8R1.3 CC1=CN=C(Cl)N=C1 AK-24031 [0,0,0,0,0,1|2,0,1]=4 263 B8R1.3 CC1=CNC(C=N1)=O AK-28246 [0,0,0,0,0,1|2,0,0]=3 264 B8R1.3 CC1=NC=C(C=N1)O AK-28497 [0,0,0,0,0,1|2,0,1]=4 265 B8R1.3 CC1=NC=C(Cl)C=C1 AK-36211 [0,0,0,0,0,1|1,0,1]=3 266 B8R1.3 CC1=NC=C(F)C=C1 AK-25749 [0,0,0,0,0,1|1,0,1]=3 267 B8R1.3 CC1=NC=C(F)C=N1 AK-68162 [0,0,0,0,0,1|2,0,1]=4 268 B8R1.3 CC1=NC=C(I)C=C1 AK-36128 [0,0,0,0,0,1|1,0,1]=3 269 B8R1.3 CC1=NN=C(C)C=C1 AK130999 [0,0,0,0,0,1|0,0,1]=2 270 B8R1.3 ClC1=CC=C(Br)C=C1 AK-98696 [0,0,0,0,0,1|3,0,0]=4 271 B8R1.3 ClC1=CC=C(N=N1)I AK-24487 [0,0,0,0,0,1|2,0,1]=4 272 B8R1.3 ClC1=CN=C(Br)C=C1 AK-25938 [0,0,0,0,0,1|2,0,1]=4 273 B8R1.3 ClC1=CN=C(C=C1)I AK-24954 [0,0,0,0,0,1|2,0,1]=4 274 B8R1.3 ClC1=NC=C(C=C1)F AK-25752 [0,0,0,0,0,1|2,0,1]=4 275 B8R1.3 ClC1=NC=C(N)C=C1 AK-27135 [0,0,0,0,0,1|2,0,1]=4 276 B8R1.3 ClC1=NC=C(N=C1)C AK-28274 [0,0,0,0,0,1|2,0,1]=4 277 B8R1.3 FC1=CC=C(I)C=C1 AK-48799 [0,0,0,0,0,1|3,0,0]=4 278 B8R1.3 FC1=NC=C(C=C1)C AK-25638 [0,0,0,0,0,1|1,0,1]=3 279 B8R1.3 IC1=CC=C(Cl)C=C1 AK-50754 [0,0,0,0,0,1|3,0,0]=4 280 B8R1.3 IC1=CN=C(F)C=C1 AK-28883 [0,0,0,0,0,1|2,0,1]=4 281 B8R1.3 IC1=CNC(=O)C=C1 AK-25382 [0,0,0,0,0,1|2,0,0]=3 282 B8R1.3 IC1=NC=C(F)C=C1 AK-28852 [0,0,0,0,0,1|2,0,1]=4 283 B8R1.3 IC1=NN=C(I)C=C1 AK-27798 [0,0,0,0,0,1|2,0,1]=4 284 B8R1.3 NC1=CC=C(Br)N=C1 AK-25387 [0,0,0,0,0,1|2,0,1]=4 285 B8R1.3 NC1=CC=C(Cl)C=N1 AK-32799 [0,0,0,0,0,1|2,0,1]=4 286 B8R1.3 NC1=CC=C(I)C=C1 AK-49877 [0,0,0,0,0,1|3,0,0]=4 287 B8R1.3 NC1=CC=C(N)N=N1 AK-24097 [0,0,0,0,0,1|2,0,1]=4 288 B8R1.3 NC1=CC=C(N=N1)Br AK-28414 [0,0,0,0,0,1|2,0,1]=4 289 B8R1.3 NC1=CC=C(O)C=N1 AK-40830 [0,0,0,0,0,1|2,0,1]=4 290 B8R1.3 NC1=CN=C(C=C1)F AK-25524 [0,0,0,0,0,1|2,0,1]=4 291 B8R1.3 NC1=CN=C(N)C=C1 AK-64957 [0,0,0,0,0,1|2,0,1]=4 292 B8R1.3 NC1=CN=C(O)C=C1 AK-48682 [0,0,0,0,0,1|2,0,1]=4 293 B8R1.3 NC1=NC=C(C)C=N1 AK-25022 [0,0,0,0,0,1|2,0,1]=4 294 B8R1.3 NC1=NC=C(N=C1)C AK-24580 [0,0,0,0,0,1|2,0,1]=4 295 B8R1.3 O=C1C=CC(=NN1)Cl AK-24013 [0,0,0,0,0,1|2,0,0]=3 296 B8R1.3 O=C1C=CC(Br)=NN1 AK125403 [0,0,0,0,0,1|2,0,0]=3 297 B8R1.3 O=C1C=CC(C)=NN1 AK-33134 [0,0,0,0,0,1|1,0,0]=2 298 B8R1.3 O=C1C=CC(Cl)=CN1 AK-30015 [0,0,0,0,0,1|2,0,0]=3 299 B8R1.3 O=C1C=CC(N)=CN1 AK-30033 [0,0,0,0,0,1|2,0,0]=3 300 B8R1.3 O=C1C=CC(N)=NN1 AK113263 [0,0,0,0,0,1|2,0,0]=3 301 B8R1.3 O=C1CCC(C)=NN1 AK-88553 [0,0,0,0,0,1|1,0,2]=4 302 B8R1.3 O=C1N=CC(=CN1)Br AK-23809 [0,0,0,0,0,1|3,0,0]=4 303 B8R1.3 O=C1N=CC(I)=CN1 AK-24753 [0,0,0,0,0,1|3,0,0]=4 304 B8R1.3 O=C1NC=C(C=N1)Cl AK-23982 [0,0,0,0,0,1|3,0,0]=4 305 B8R1.3 OC1=CC=C(F)C=C1 AK-48196 [0,0,0,0,0,1|3,0,0]=4 306 B8R1.3 OC1=CC=C(F)N=C1 AK-23515 [0,0,0,0,0,1|2,0,1]=4 307 B8R1.3 OC1=CC=C(N)C=C1 AK109176 [0,0,0,0,0,1|3,0,0]=4 308 B8R1.3 OC1=CC=C(N)N=C1 AK-28002 [0,0,0,0,0,1|2,0,1]=4 309 B8R1.3 OC1=CN=C(Br)C=C1 AK-25164 [0,0,0,0,0,1|2,0,1]=4 310 B8R1.3 OC1=CNC(=O)C=C1 AK-86050 [0,0,0,0,0,1|2,0,0]=3 311 B8R1.3 OC1=NC=C(Br)C=C1 AK-28009 [0,0,0,0,0,1|2,0,1]=4 312 B8R1.3 OC1=NC=C(C)C=C1 AK-25236 [0,0,0,0,0,1|1,0,1]=3 313 B8R1.3 OC1=NN=C(O)C=C1 AK-86202 [0,0,0,0,0,1|2,0,1]=4 314 B8R1.4 BrC1=CC(Br)=CC=C1 AK-88659 [0,0,0,0,0,1|3,0,0]=4 315 B8R1.4 BrC1=CC=CC(N)=N1 AK-25560 [0,0,0,0,0,1|2,0,1]=4 316 B8R1.4 BrC1=CN=CC(Br)=C1 AK-22107 [0,0,0,0,0,1|3,0,0]=4 317 B8R1.4 BrC1=CN=CC(Br)=N1 AK-23575 [0,0,0,0,0,1|2,0,1]=4 318 B8R1.4 BrC1=NC(=NC=C1)C AK-31569 [0,0,0,0,0,1|1,0,1]=3 319 B8R1.4 BrC1=NC(I)=CC=C1 AK-49587 [0,0,0,0,0,1|2,0,1]=4 320 B8R1.4 BrC1=NC=CC(=C1)F AK-27032 [0,0,0,0,0,1|3,0,0]=4 321 B8R1.4 BrC1=NC=CC(=C1)I AK-28410 [0,0,0,0,0,1|3,0,0]=4 322 B8R1.4 BrC1=NC=CC(=C1)O AK-23606 [0,0,0,0,0,1|3,0,0]=4 323 B8R1.4 BrC1=NC=CC(=N1)Br AK-23565 [0,0,0,0,0,1|2,0,1]=4 324 B8R1.4 BrC1=NC=CC(=N1)C AK-25002 [0,0,0,0,0,1|1,0,1]=3 325 B8R1.4 BrC1=NC=NC(=C1)C AK-31752 [0,0,0,0,0,1|3,0,0]=4 326 B8R1.4 C1=C(Br)C=CN=C1C AK-23747 [0,0,0,0,0,1|2,0,0]=3 327 B8R1.4 C1=C(Br)C=CN=C1Cl AK-26300 [0,0,0,0,0,1|3,0,0]=4 328 B8R1.4 C1=C(C)C=CN=C1Cl AK-25858 [0,0,0,0,0,1|2,0,0]=3 329 B8R1.4 C1=C(C)N=CN=C1C AK-33461 [0,0,0,0,0,1|2,0,0]=3 330 B8R1.4 C1=C(C=C(C=N1)Cl)Br AK-26301 [0,0,0,0,0,1|3,0,0]=4 331 B8R1.4 C1=C(C=C(N=C1)Cl)Cl AK-25680 [0,0,0,0,0,1|3,0,0]=4 332 B8R1.4 C1=C(C=C(N=C1)N)Br AK-23588 [0,0,0,0,0,1|3,0,0]=4 333 B8R1.4 C1=C(C=CC=C1Br)I AK-48371 [0,0,0,0,0,1|3,0,0]=4 334 B8R1.4 C1=C(C=CN=C1Br)C AK-26025 [0,0,0,0,0,1|2,0,0]=3 335 B8R1.4 C1=C(C=CN=C1C)Cl AK-25859 [0,0,0,0,0,1|2,0,0]=3 336 B8R1.4 C1=C(C=NC=C1Cl)O AK-27757 [0,0,0,0,0,1|3,0,0]=4 337 B8R1.4 C1=C(C=NC=C1O)Br AK-22149 [0,0,0,0,0,1|3,0,0]=4 338 B8R1.4 C1=C(C=NC=C1O)C AK-25962 [0,0,0,0,0,1|2,0,0]=3 339 B8R1.4 C1=C(F)C=NC=C1Br AK-23525 [0,0,0,0,0,1|3,0,0]=4 340 B8R1.4 C1=C(I)C=CN=C1Cl AK-26930 [0,0,0,0,0,1|3,0,0]=4 341 B8R1.4 C1=C(N)C=CN=C1Br AK-26316 [0,0,0,0,0,1|3,0,0]=4 342 B8R1.4 C1=C(N=C(C=C1)Br)C AK-26079 [0,0,0,0,0,1|1,0,1]=3 343 B8R1.4 C1=C(N=C(C=C1)Br)Cl AK-35415 [0,0,0,0,0,1|2,0,1]=4 344 B8R1.4 C1=C(N=C(C=C1)Cl)N AK-27165 [0,0,0,0,0,1|2,0,1]=4 345 B8R1.4 C1=C(N=C(C=N1)Cl)N AK-25785 [0,0,0,0,0,1|2,0,1]=4 346 B8R1.4 C1=C(N=C(N=C1)C)Cl AK-21837 [0,0,0,0,0,1|1,0,1]=3 347 B8R1.4 C1=C(N=CC=C1Br)Br AK-26156 [0,0,0,0,0,1|3,0,0]=4 348 B8R1.4 C1=C(N=CC=C1N)Cl AK-27134 [0,0,0,0,0,1|3,0,0]=4 349 B8R1.4 C1=C(N=CC=C1N)N AK-29267 [0,0,0,0,0,1|3,0,0]=4 350 B8R1.4 C1=CC(=CC(=N1)Cl)F AK-26795 [0,0,0,0,0,1|3,0,0]=4 351 B8R1.4 C1=CC=C(F)N=C1Br AK-25117 [0,0,0,0,0,1|2,0,1]=4 352 B8R1.4 C1=CC=C(I)N=C1I AK-39176 [0,0,0,0,0,1|2,0,1]=4 353 B8R1.4 C1=CC=C(N=C1C)Cl AK-32452 [0,0,0,0,0,1|1,0,1]=3 354 B8R1.4 C1=CC=C(N=C1C)F AK-25943 [0,0,0,0,0,1|1,0,1]=3 355 B8R1.4 C1=CC=C(N=C1N)N AK-33251 [0,0,0,0,0,1|2,0,1]=4 356 B8R1.4 C1=CN=C(C=C1Br)F AK-23505 [0,0,0,0,0,1|3,0,0]=4 357 B8R1.4 C1=CN=C(C=C1Cl)Br AK-25618 [0,0,0,0,0,1|3,0,0]=4 358 B8R1.4 C1=CN=C(Cl)N=C1N AK-22071 [0,0,0,0,0,1|2,0,1]=4 359 B8R1.4 C1=CN=C(N=C1Cl)N AK-22070 [0,0,0,0,0,1|2,0,1]=4 360 B8R1.4 CC1=CC(=NC=N1)N AK-24843 [0,0,0,0,0,1|3,0,0]=4 361 B8R1.4 CC1=CC(C=CN1)=O AK-25534 [0,0,0,0,0,1|2,0,0]=3 362 B8R1.4 CC1=CC(Cl)=NC=N1 AK-23766 [0,0,0,0,0,1|3,0,0]=4 363 B8R1.4 CC1=CC(F)=NC=C1 AK-26002 [0,0,0,0,0,1|2,0,0]=3 364 B8R1.4 CC1=CC(I)=CC=C1 AK161788 [0,0,0,0,0,1|2,0,0]=3 365 B8R1.4 CC1=CC(NN=C1)=O AK-39857 [0,0,0,0,0,1|3,0,0]=4 366 B8R1.4 CC1=CC=CC(I)=N1 AK-35898 [0,0,0,0,0,1|1,0,1]=3 367 B8R1.4 CC1=CC=CC(N)=N1 AK-28918 [0,0,0,0,0,1|1,0,1]=3 368 B8R1.4 CC1=CN=CC(=N1)N AK-26646 [0,0,0,0,0,1|1,0,1]=3 369 B8R1.4 CC1=CN=CC(Br)=N1 AK-28293 [0,0,0,0,0,1|1,0,1]=3 370 B8R1.4 CC1=CN=CC(C)=N1 AK-73109 [0,0,0,0,0,1|0,0,1]=2 371 B8R1.4 CC1=CN=CC(Cl)=C1 AK-25547 [0,0,0,0,0,1|2,0,0]=3 372 B8R1.4 CC1=CN=CC(Cl)=N1 AK-28258 [0,0,0,0,0,1|1,0,1]=3 373 B8R1.4 CC1=CN=CC(F)=C1 AK-25942 [0,0,0,0,0,1|2,0,0]=3 374 B8R1.4 CC1=NC(C)=NC=C1 AK128381 [0,0,0,0,0,1|0,0,1]=2 375 B8R1.4 CC1=NC(Cl)=NC=C1 AK-25001 [0,0,0,0,0,1|1,0,1]=3 376 B8R1.4 CC1=NC(I)=NC=C1 AK-31571 [0,0,0,0,0,1|1,0,1]=3 377 B8R1.4 CC1=NC(O)=NC=C1 AK-24705 [0,0,0,0,0,1|1,0,1]=3 378 B8R1.4 CC1=NC=CC(I)=C1 AK-29006 [0,0,0,0,0,1|2,0,0]=3 379 B8R1.4 ClC1=CC(=NC=C1)F AK-25827 [0,0,0,0,0,1|3,0,0]=4 380 B8R1.4 ClC1=CC(=NC=C1)O AK-25941 [0,0,0,0,0,1|3,0,0]=4 381 B8R1.4 ClC1=CC(I)=CN=C1 AK-44424 [0,0,0,0,0,1|3,0,0]=4 382 B8R1.4 ClC1=CC(N)=NC=C1 AK-23590 [0,0,0,0,0,1|3,0,0]=4 383 B8R1.4 ClC1=CC=CC(Br)=C1 AK-77010 [0,0,0,0,0,1|3,0,0]=4 384 B8R1.4 ClC1=CN=CC(=N1)O AK-30468 [0,0,0,0,0,1|2,0,1]=4 385 B8R1.4 ClC1=CN=CC(Cl)=N1 AK-26010 [0,0,0,0,0,1|2,0,1]=4 386 B8R1.4 ClC1=NC(=CC=C1)F AK-32282 [0,0,0,0,0,1|2,0,1]=4 387 B8R1.4 ClC1=NC(Cl)=NC=C1 AK-22106 [0,0,0,0,0,1|2,0,1]=4 388 B8R1.4 ClC1=NC(I)=CC=C1 AK-45679 [0,0,0,0,0,1|2,0,1]=4 389 B8R1.4 ClC1=NC=CC(Br)=N1 AK-50462 [0,0,0,0,0,1|2,0,1]=4 390 B8R1.4 FC1=CC(=CN=C1)O AK-23521 [0,0,0,0,0,1|3,0,0]=4 391 B8R1.4 FC1=CC(I)=CN=C1 AK-50098 [0,0,0,0,0,1|3,0,0]=4 392 B8R1.4 FC1=CC=CC(Br)=C1 AK-88414 [0,0,0,0,0,1|3,0,0]=4 393 B8R1.4 FC1=CC=CC(N)=N1 AK-28849 [0,0,0,0,0,1|2,0,1]=4 394 B8R1.4 FC1=NC=CC(=C1)O AK-29007 [0,0,0,0,0,1|3,0,0]=4 395 B8R1.4 IC1=CC(=O)NC=C1 AK-30137 [0,0,0,0,0,1|3,0,0]=4 396 B8R1.4 IC1=CC(Cl)=CC=C1 AK-48399 [0,0,0,0,0,1|3,0,0]=4 397 B8R1.4 IC1=CC(F)=NC=C1 AK-25615 [0,0,0,0,0,1|3,0,0]=4 398 B8R1.4 IC1=CC(I)=CC=C1 AK-76947 [0,0,0,0,0,1|3,0,0]=4 399 B8R1.4 IC1=CN=CC(Br)=C1 AK-23687 [0,0,0,0,0,1|3,0,0]=4 400 B8R1.4 IC1=NC(=CN=C1)I AK-23578 [0,0,0,0,0,1|2,0,1]=4 401 B8R1.4 IC1=NC(N)=NC=C1 AK-28214 [0,0,0,0,0,1|2,0,1]=4 402 B8R1.4 IC1=NC=CC(Cl)=C1 AK112901 [0,0,0,0,0,1|3,0,0]=4 403 B8R1.4 NC1=CC(=CN=C1)Cl AK-23676 [0,0,0,0,0,1|3,0,0]=4 404 B8R1.4 NC1=CC(=CN=C1)F AK-25590 [0,0,0,0,0,1|3,0,0]=4 405 B8R1.4 NC1=CC(=CN=C1)O AK-23677 [0,0,0,0,0,1|3,0,0]=4 406 B8R1.4 NC1=CC(=CN=C1)O AK-27981 [0,0,0,0,0,1|3,0,0]=4 407 B8R1.4 NC1=CC(=NC=C1)C AK-28926 [0,0,0,0,0,1|2,0,0]=3 408 B8R1.4 NC1=CC(=NC=C1)F AK-23726 [0,0,0,0,0,1|3,0,0]=4 409 B8R1.4 NC1=CC(=NC=C1)O AK-23727 [0,0,0,0,0,1|3,0,0]=4 410 B8R1.4 NC1=CC(Br)=CN=C1 AK-31985 [0,0,0,0,0,1|3,0,0]=4 411 B8R1.4 NC1=CC(N)=CN=C1 AK-81907 [0,0,0,0,0,1|3,0,0]=4 412 B8R1.4 NC1=CC=CC(I)=C1 AK-95998 [0,0,0,0,0,1|3,0,0]=4 413 B8R1.4 NC1=NC(=CN=C1)Br AK-26617 [0,0,0,0,0,1|2,0,1]=4 414 B8R1.4 NC1=NC(C)=NC=C1 AK-30457 [0,0,0,0,0,1|1,0,1]=3 415 B8R1.4 NC1=NC(F)=NC=C1 AK342333 [0,0,0,0,0,1|2,0,1]=4 416 B8R1.4 NC1=NC(I)=CC=C1 AK-44440 [0,0,0,0,0,1|2,0,1]=4 417 B8R1.4 NC1=NC(N)=CN=C1 AK-64864 [0,0,0,0,0,1|2,0,1]=4 418 B8R1.4 NC1=NC=CC(=C1)F AK-28128 [0,0,0,0,0,1|3,0,0]=4 419 B8R1.4 NC1=NC=CC(=C1)O AK-23591 [0,0,0,0,0,1|3,0,0]=4 420 B8R1.4 NC1=NC=CC(Br)=N1 AK-24498 [0,0,0,0,0,1|2,0,1]=4 421 B8R1.4 O=C1C=C(Br)C=CN1 AK-75682 [0,0,0,0,0,1|3,0,0]=4 422 B8R1.4 O=C1C=C(Cl)NC=C1 AK-26966 [0,0,0,0,0,1|3,0,0]=4 423 B8R1.4 O=C1C=C(F)C=CN1 AK-29630 [0,0,0,0,0,1|3,0,0]=4 424 B8R1.4 O=C1C=CC=C(C)N1 AK-29158 [0,0,0,0,0,1|1,0,0]=2 425 B8R1.4 O=C1C=CC=C(Cl)N1 AK-27743 [0,0,0,0,0,1|2,0,0]=3 426 B8R1.4 O=C1N=C(N)C=CN1 AK-77374 [0,0,0,0,0,1|2,0,1]=4 427 B8R1.4 O=C1N=C(N)NC=C1 AK-77015 [0,0,0,0,0,1|2,0,1]=4 428 B8R1.4 O=C1NC(=CC=C1)N AK-28666 [0,0,0,0,0,1|2,0,0]=3 429 B8R1.4 O=C1NC(=NC=C1)N AK-23592 [0,0,0,0,0,1|2,0,0]=3 430 B8R1.4 O=C1NC(=NC=N1)N AK-26453 [0,0,0,0,0,1|3,0,0]=4 431 B8R1.4 O=C1NC(C)=NC=C1 AK-46845 [0,0,0,0,0,1|1,0,0]=2 432 B8R1.4 O=C1NC(C=CN1)=O AK-86824 [0,0,0,0,0,1|2,0,0]=3 433 B8R1.4 O=C1NC(N=CN1)=O AK126672 [0,0,0,0,0,1|3,0,0]=4 434 B8R1.4 O=C1NC(NN=C1)=S AK155540 [0,0,0,0,0,1|3,0,0]=4 435 B8R1.4 O=C1NC=NC(C)=C1 AK-23779 [0,0,0,0,0,1|3,0,0]=4 436 B8R1.4 OC1=CC=CC(Br)=N1 AK-34491 [0,0,0,0,0,1|2,0,1]=4 437 B8R1.4 OC1=CC=CC(I)=C1 AK-88502 [0,0,0,0,0,1|3,0,0]=4 438 B8R1.4 OC1=CC=NC(Cl)=N1 AK-54507 [0,0,0,0,0,1|2,0,1]=4 439 B8R1.4 OC1=CN=CC(O)=C1 AK-45937 [0,0,0,0,0,1|3,0,0]=4 440 B8R1.4 OC1=NC(=NC=C1)C AK-21836 [0,0,0,0,0,1|1,0,1]=3 441 B8R1.4 OC1=NC(=S)NC=C1 AK-41390 [0,0,0,0,0,1|2,0,1]=4 442 B8R1.4 OC1=NC(C)=CN=C1 AK-26663 [0,0,0,0,0,1|1,0,1]=3 443 B8R1.4 OC1=NC(Cl)=CC=C1 AK104457 [0,0,0,0,0,1|2,0,1]=4 444 B8R1.4 OC1=NC(F)=CC=C1 AK-29320 [0,0,0,0,0,1|2,0,1]=4 445 B8R1.4 OC1=NC=CC(Br)=C1 AK-23746 [0,0,0,0,0,1|3,0,0]=4 446 B8R1.4 OC1=NC=CC(C)=C1 AK-33151 [0,0,0,0,0,1|2,0,0]=3 447 B8R1.4 OC1=NC=CC(O)=C1 AK-44036 [0,0,0,0,0,1|3,0,0]=4 448 B8R1.4 S=C1N=C(C)C=CN1 AK-45762 [0,0,0,0,0,1|1,0,1]=3 449 B8R1.4 S=C1NC=NC(C)=C1 AK670613 [0,0,0,0,0,1|3,0,0]=4 450 B5R0.3 C=CC(NC)=O AK115593 [1,0,1,0,0,0|1,0,0]=3 451 B5R1.1 N1C=CN=C1 AK-68419 [2,0,0,0,0,0|1,0,0]=3 452 B5R1.1 N1CC=CC1 AK-35945 [2,0,0,0,0,0|0,0,2]=4 453 B5R1.1 N1N=CC=C1 AK-80047 [2,0,0,0,0,0|1,0,0]=3 454 B5R1.1 N1N=CN=C1 AK111541 [2,0,0,0,0,0|2,0,0]=4 455 B5R1.1 N1N=NC=C1 AK-82525 [2,0,0,0,0,0|2,0,0]=4 456 B7R0.3 C=CC(NCCN)=O AK142923 [0,1,1,0,0,0|1,0,1]=4 457 B7R0.4 C\C=C\C=C\C([O-])=O AK-47286 [0,1,1,0,0,0|2,0,0]=4 458 B7R0.6 O=C(O)\C=C/C(N)=O AK169998 [0,1,1,0,0,0|2,0,0]=4 459 B7R1.1 BrCC1=CSC=N1 AK158849 [1,1,0,0,0,0|1,0,1]=4 460 B7R1.1 BrCC1=NC=CN1 AK142906 [1,1,0,0,0,0|1,0,0]=3 461 B7R1.1 C1=C(SC=C1)C#N AK-46367 [1,1,0,0,0,0|1,0,1]=4 462 B7R1.1 C1=C(SC=C1)C=O AK-26482 [1,1,0,0,0,0|1,0,1]=4 463 B7R1.1 C1=C(SC=N1)CO AK-23792 [1,1,0,0,0,0|2,0,0]=4 464 B7R1.1 C1=C([NH]C=N1)C=O AK-41612 [1,1,0,0,0,0|1,0,1]=4 465 B7R1.1 C1=CC=N[N]1CO AK-21910 [1,1,0,0,0,0|1,0,1]=4 466 B7R1.1 C1=CN=C(C=O)[NH]1 AK-49186 [1,1,0,0,0,0|1,0,1]=4 467 B7R1.1 C1=NC(=CS1)CO AK-23714 [1,1,0,0,0,0|1,0,1]=4 468 B7R1.1 CCC1=CC=CS1 AK-76635 [1,1,0,0,0,0|1,0,0]=3 469 B7R1.1 CCC1=NC=CN1 AK161825 [1,1,0,0,0,0|1,0,0]=3 470 B7R1.1 CCN1N=CC=C1 AK-39994 [1,1,0,0,0,0|1,0,1]=4 471 B7R1.1 CNC1=NC=CS1 AK-32595 [1,1,0,0,0,0|1,0,1]=4 472 B7R1.1 COC1=CC=CS1 AK-60885 [1,1,0,0,0,0|1,0,0]=3 473 B7R1.1 COC1=CSC=C1 AK-60944 [1,1,0,0,0,0|2,0,0]=4 474 B7R1.1 COC1=NC=CS1 AK-46322 [1,1,0,0,0,0|1,0,1]=4 475 B7R1.1 ClCC1=CN=CO1 AK143331 [1,1,0,0,0,0|2,0,0]=4 476 B7R1.1 ClCC1=CN=CS1 AK-94779 [1,1,0,0,0,0|2,0,0]=4 477 B7R1.1 ClCC1=NC=CO1 AK-33839 [1,1,0,0,0,0|1,0,1]=4 478 B7R1.1 N#CC1=NC=CN1 AK-81383 [1,1,0,0,0,0|1,0,1]=4 479 B7R1.1 NCC1=CC=CN1 AK-39872 [1,1,0,0,0,0|0,0,0]=2 480 B7R1.1 NCC1=CC=CS1 AK-46394 [1,1,0,0,0,0|1,0,0]=3 481 B7R1.1 NCC1=CN=CO1 AK-25086 [1,1,0,0,0,0|2,0,0]=4 482 B7R1.1 NCC1=CN=CS1 AK-24530 [1,1,0,0,0,0|2,0,0]=4 483 B7R1.1 NCC1=CNC=C1 AK-67638 [1,1,0,0,0,0|2,0,0]=4 484 B7R1.1 NCC1=CNC=N1 AK-33143 [1,1,0,0,0,0|1,0,1]=4 485 B7R1.1 NCC1=CSC=C1 AK-28306 [1,1,0,0,0,0|2,0,0]=4 486 B7R1.1 NCC1=CSC=C1 AK-48092 [1,1,0,0,0,0|2,0,0]=4 487 B7R1.1 NCC1=NC=CO1 AK-48266 [1,1,0,0,0,0|1,0,1]=4 488 B7R1.1 NCC1=NC=CS1 AK-26128 [1,1,0,0,0,0|1,0,1]=4 489 B7R1.1 NCC1=NC=CS1 AK-95677 [1,1,0,0,0,0|1,0,1]=4 490 B7R1.1 NCC1=NNC=C1 AK-25875 [1,1,0,0,0,0|1,0,1]=4 491 B7R1.1 O=CC1=CC=CN1 AK-25235 [1,1,0,0,0,0|0,0,1]=3 492 B7R1.1 OCC1=CC=CS1 AK-93468 [1,1,0,0,0,0|1,0,0]=3 493 B7R1.1 OCC1=CC=NO1 AK-68490 [1,1,0,0,0,0|2,0,0]=4 494 B7R1.1 OCC1=CN=CO1 AK-25343 [1,1,0,0,0,0|2,0,0]=4 495 B7R1.1 OCC1=COC=C1 AK-46116 [1,1,0,0,0,0|2,0,0]=4 496 B7R1.1 OCC1=CSC=C1 AK-36199 [1,1,0,0,0,0|2,0,0]=4 497 B7R1.1 OCC1=NC=CN1 AK-44944 [1,1,0,0,0,0|1,0,0]=3 498 B7R1.1 OCC1=NC=CO1 AK-29821 [1,1,0,0,0,0|1,0,1]=4 499 B7R1.1 OCC1=NC=NN1 AK173322 [1,1,0,0,0,0|2,0,0]=4 500 B7R1.1 OCC1=NOC=C1 AK-25087 [1,1,0,0,0,0|1,0,1]=4 501 B7R1.4 BrC1=C(I)SC=C1 AK-81714 [1,1,0,0,0,0|2,0,0]=4 502 B7R1.4 BrC1=CC=N[N]1C AK-34841 [1,1,0,0,0,0|1,0,1]=4 503 B7R1.4 C1=C(N)[N](C)N=C1 AK-23556 [1,1,0,0,0,0|1,0,1]=4 504 B7R1.4 C1=CC(=C(S1)Br)C AK-46588 [1,1,0,0,0,0|2,0,0]=4 505 B7R1.4 C1=CSC(=C1Br)Br AK-25755 [1,1,0,0,0,0|2,0,0]=4 506 B7R1.4 C1=N[NH]C(=C1Br)N AK-23671 [1,1,0,0,0,0|2,0,0]=4 507 B7R1.4 CC1=C(Br)C=NO1 AK112982 [1,1,0,0,0,0|2,0,0]=4 508 B7R1.4 CC1=C(Br)NC=N1 AK-92496 [1,1,0,0,0,0|1,0,1]=4 509 B7R1.4 CC1=C(Br)SC=N1 AK-40873 [1,1,0,0,0,0|1,0,1]=4 510 B7R1.4 CC1=C(C)N=CN1 AK157739 [1,1,0,0,0,0|1,0,0]=3 511 B7R1.4 CC1=C(C)N=CS1 AK-46395 [1,1,0,0,0,0|1,0,1]=4 512 B7R1.4 CC1=C(I)NC=N1 AK128524 [1,1,0,0,0,0|1,0,1]=4 513 B7R1.4 CC1=CC=NN1C AK-36127 [1,1,0,0,0,0|1,0,0]=3 514 B7R1.4 CC1=CNN=C1C AK111434 [1,1,0,0,0,0|1,0,1]=4 515 B7R1.4 CC1=CNN=C1C AK117330 [1,1,0,0,0,0|1,0,1]=4 516 B7R1.4 CC1=CSC=C1Br AK-34597 [1,1,0,0,0,0|2,0,0]=4 517 B7R1.4 CC1=CSC=C1C AK-45919 [1,1,0,0,0,0|2,0,0]=4 518 B7R1.4 CC1=NNC=C1Br AK-24746 [1,1,0,0,0,0|1,0,1]=4 519 B7R1.4 CC1=NNC=C1I AK-73045 [1,1,0,0,0,0|1,0,1]=4 520 B7R1.4 CN1C(I)=CN=C1 AK-36203 [1,1,0,0,0,0|2,0,0]=4 521 B7R1.4 CN1C=CN=C1C AK-60401 [1,1,0,0,0,0|1,0,0]=3 522 B7R1.4 CN1C=CN=C1Cl AK-79282 [1,1,0,0,0,0|2,0,0]=4 523 B7R1.4 CN1C=CN=C1I AK-34893 [1,1,0,0,0,0|2,0,0]=4 524 B7R1.4 CN1C=NC=C1Br AK-32615 [1,1,0,0,0,0|2,0,0]=4 525 B7R1.4 ClC1=C(Br)C=CS1 AK-25922 [1,1,0,0,0,0|2,0,0]=4 526 B7R1.4 ClC1=C(Br)SC=C1 AK-93781 [1,1,0,0,0,0|2,0,0]=4 527 B7R1.4 IC1=C(I)N=CN1 AK-28835 [1,1,0,0,0,0|2,0,0]=4 528 B7R1.4 IC1=CC=N[N]1C AK-34754 [1,1,0,0,0,0|1,0,1]=4 529 B7R1.4 NC1=CN=CN1C AK128338 [1,1,0,0,0,0|2,0,0]=4 530 B7R1.4 NC1=NC=CN1C AK-36047 [1,1,0,0,0,0|2,0,0]=4 531 B7R1.4 NC1=NC=CN1C AK125047 [1,1,0,0,0,0|2,0,0]=4 532 B7R1.4 O=C1N(C)NC=C1 AK113037 [1,1,0,0,0,0|1,0,0]=3 533 B7R1.4 O=C1N(C)SC=C1 AK682465 [1,1,0,0,0,0|2,0,0]=4 534 B7R1.4 O=C1NC=CN1C AK317267 [1,1,0,0,0,0|2,0,0]=4 535 B7R1.4 OC1=CC=N[N]1C AK-39760 [1,1,0,0,0,0|1,0,1]=4 536 B9R1.1 BrC1=CN=C(C=C1)CC AK-34965 [0,1,0,0,0,1|1,0,1]=4 537 B9R1.1 BrC1=CN=C(C=C1)NC AK-46585 [0,1,0,0,0,1|1,0,1]=4 538 B9R1.1 BrC1=NC=C(C=C1)OC AK-25274 [0,1,0,0,0,1|1,0,1]=4 539 B9R1.1 BrCC1=CN=C(C=C1)Cl AK-28919 [0,1,0,0,0,1|1,0,1]=4 540 B9R1.1 BrCC1=NN=C(Br)C=C1 AK149473 [0,1,0,0,0,1|1,0,1]=4 541 B9R1.1 C1=C(C=CC(=C1)CN)O AK-47356 [0,1,0,0,0,1|2,0,0]=4 542 B9R1.1 C1=C(C=CC(=N1)C#N)C AK-29901 [0,1,0,0,0,1|0,0,2]=4 543 B9R1.1 C1=C(C=NC(=C1)CO)Br AK-26386 [0,1,0,0,0,1|1,0,1]=4 544 B9R1.1 C1=C(N=CC(=C1)C#N)C AK-25767 [0,1,0,0,0,1|0,0,2]=4 545 B9R1.1 C1=C(NN)C=CC(=C1)C AK-47398 [0,1,0,0,0,1|2,0,0]=4 546 B9R1.1 C1=CC(=CC=C1Br)CC AK-47528 [0,1,0,0,0,1|2,0,0]=4 547 B9R1.1 C1=CC(=CC=C1CO)O AK-47325 [0,1,0,0,0,1|2,0,0]=4 548 B9R1.1 C1=CC(=CC=C1I)NC AK-39846 [0,1,0,0,0,1|2,0,0]=4 549 B9R1.1 C1=CC(=CN=C1OC)Br AK-32435 [0,1,0,0,0,1|1,0,1]=4 550 B9R1.1 C1=CC(=CN=C1OC)N AK-24754 [0,1,0,0,0,1|1,0,1]=4 551 B9R1.1 C1=CC(=NC=C1CO)Cl AK-28987 [0,1,0,0,0,1|1,0,1]=4 552 B9R1.1 C1=CC(=NN=C1NC)Cl AK-41790 [0,1,0,0,0,1|1,0,1]=4 553 B9R1.1 C1=CC(=NN=C1OC)Br AK-31439 [0,1,0,0,0,1|1,0,1]=4 554 B9R1.1 CC1=CC=C(C=O)C=C1 AK-65210 [0,1,0,0,0,1|1,0,1]=4 555 B9R1.1 CC1=CC=C(CO)C=N1 AK-78311 [0,1,0,0,0,1|0,0,1]=3 556 B9R1.1 CC1=CN=C(C=C1)C=O AK-35332 [0,1,0,0,0,1|0,0,2]=4 557 B9R1.1 CC1=CN=C(C=N1)CO AK-24727 [0,1,0,0,0,1|1,0,1]=4 558 B9R1.1 CC1=CN=C(CCl)C=N1 AK138019 [0,1,0,0,0,1|1,0,1]=4 559 B9R1.1 CC1=CN=C(CCl)N=C1 AK-76612 [0,1,0,0,0,1|1,0,1]=4 560 B9R1.1 CC1=CN=C(OC)C=C1 AK-58301 [0,1,0,0,0,1|0,0,1]=3 561 B9R1.1 CC1=NC=C(C=C1)C=O AK-26076 [0,1,0,0,0,1|0,0,2]=4 562 B9R1.1 CC1=NC=C(CBr)C=C1 AK139052 [0,1,0,0,0,1|0,0,1]=3 563 B9R1.1 CC1=NC=C(CBr)C=N1 AK134681 [0,1,0,0,0,1|1,0,1]=4 564 B9R1.1 CC1=NC=C(CCl)C=C1 AK123163 [0,1,0,0,0,1|0,0,1]=3 565 B9R1.1 CC1=NN=C(OC)C=C1 AK136314 [0,1,0,0,0,1|0,0,1]=3 566 B9R1.1 CCC1=CN=C(C=N1)C AK-58106 [0,1,0,0,0,1|1,0,1]=4 567 B9R1.1 CCC1=CN=C(Cl)C=C1 AK-48582 [0,1,0,0,0,1|1,0,1]=4 568 B9R1.1 CCC1=NC=C(Cl)C=C1 AK134672 [0,1,0,0,0,1|1,0,1]=4 569 B9R1.1 CNC1=CC=C(Cl)C=C1 AK129065 [0,1,0,0,0,1|2,0,0]=4 570 B9R1.1 CNC1=CC=C(F)C=C1 AK-87253 [0,1,0,0,0,1|2,0,0]=4 571 B9R1.1 CNC1=NC=C(Cl)C=C1 AK123580 [0,1,0,0,0,1|1,0,1]=4 572 B9R1.1 CNC1=NN=C(Br)C=C1 AK125401 [0,1,0,0,0,1|1,0,1]=4 573 B9R1.1 COC1=CC=C(Cl)C=C1 AK116963 [0,1,0,0,0,1|2,0,0]=4 574 B9R1.1 COC1=CC=C(I)C=C1 AK-44747 [0,1,0,0,0,1|2,0,0]=4 575 B9R1.1 COC1=CC=C(O)C=C1 AK-46469 [0,1,0,0,0,1|2,0,0]=4 576 B9R1.1 COC1=CN=C(Cl)C=C1 AK-33219 [0,1,0,0,0,1|1,0,1]=4 577 B9R1.1 COC1=CN=C(F)C=C1 AK-61561 [0,1,0,0,0,1|1,0,1]=4 578 B9R1.1 COC1=NC=C(Cl)C=C1 AK-44270 [0,1,0,0,0,1|1,0,1]=4 579 B9R1.1 COC1=NC=C(F)C=C1 AK-27023 [0,1,0,0,0,1|1,0,1]=4 580 B9R1.1 COC1=NC=C(I)C=C1 AK-58302 [0,1,0,0,0,1|1,0,1]=4 581 B9R1.1 COC1=NN=C(Cl)C=C1 AK-28238 [0,1,0,0,0,1|1,0,1]=4 582 B9R1.1 COC1=NN=C(I)C=C1 AK-63985 [0,1,0,0,0,1|1,0,1]=4 583 B9R1.1 CSC1=CN=C(N)C=C1 AK-40039 [0,1,0,0,0,1|1,0,1]=4 584 B9R1.1 ClC1=CN=C(CBr)C=C1 AK164355 [0,1,0,0,0,1|1,0,1]=4 585 B9R1.1 ClCC1=NC=C(Br)C=C1 AK-47143 [0,1,0,0,0,1|1,0,1]=4 586 B9R1.1 ClCC1=NN=C(Cl)C=C1 AK160378 [0,1,0,0,0,1|1,0,1]=4 587 B9R1.1 IC1=CC=C(CBr)C=C1 AK-54650 [0,1,0,0,0,1|2,0,0]=4 588 B9R1.1 IC1=CC=C(CC)C=C1 AK121966 [0,1,0,0,0,1|2,0,0]=4 589 B9R1.1 N(N)C1=CC=C(N=N1)C AK-30657 [0,1,0,0,0,1|1,0,1]=4 590 B9R1.1 N(N)C1=CN=C(C=C1)C AK-49534 [0,1,0,0,0,1|1,0,1]=4 591 B9R1.1 NC1=CC=C(C=N1)CO AK-29786 [0,1,0,0,0,1|1,0,1]=4 592 B9R1.1 NC1=CC=C(CC)N=C1 AK-78651 [0,1,0,0,0,1|1,0,1]=4 593 B9R1.1 NC1=CC=C(NC)C=C1 AK-86240 [0,1,0,0,0,1|2,0,0]=4 594 B9R1.1 NC1=CN=C(NC)C=C1 AK-75542 [0,1,0,0,0,1|1,0,1]=4 595 B9R1.1 NC1=CN=C(NC)C=C1 AK141591 [0,1,0,0,0,1|1,0,1]=4 596 B9R1.1 NC1=NC=C(C=C1)OC AK-27987 [0,1,0,0,0,1|1,0,1]=4 597 B9R1.1 NCC1=CC=C(Br)C=C1 AK-46356 [0,1,0,0,0,1|2,0,0]=4 598 B9R1.1 NCC1=CC=C(Br)C=C1 AK-49170 [0,1,0,0,0,1|2,0,0]=4 599 B9R1.1 NCC1=CC=C(Br)N=C1 AK-27657 [0,1,0,0,0,1|1,0,1]=4 600 B9R1.1 NCC1=CC=C(Cl)C=C1 AK-44456 [0,1,0,0,0,1|2,0,0]=4 601 B9R1.1 NCC1=CC=C(F)N=C1 AK-67908 [0,1,0,0,0,1|1,0,1]=4 602 B9R1.1 NCC1=CC=C(I)C=C1 AK-81624 [0,1,0,0,0,1|2,0,0]=4 603 B9R1.1 NCC1=NC=C(Br)C=C1 AK-31901 [0,1,0,0,0,1|1,0,1]=4 604 B9R1.1 NCC1=NC=C(Br)C=C1 AK142316 [0,1,0,0,0,1|1,0,1]=4 605 B9R1.1 NCC1=NC=C(C)C=C1 AK150805 [0,1,0,0,0,1|0,0,1]=3 606 B9R1.1 NCC1=NC=C(Cl)C=C1 AK105180 [0,1,0,0,0,1|1,0,1]=4 607 B9R1.1 NCC1=NC=C(Cl)C=C1 AK145140 [0,1,0,0,0,1|1,0,1]=4 608 B9R1.1 NCC1=NC=C(F)C=C1 AK145177 [0,1,0,0,0,1|1,0,1]=4 609 B9R1.1 NCC1=NN=C(Cl)C=C1 AK-24540 [0,1,0,0,0,1|1,0,1]=4 610 B9R1.1 O=C1C=CC(CO)=CN1 AK-29768 [0,1,0,0,0,1|1,0,0]=3 611 B9R1.1 O=CC=1C=CC(NC1)=O AK-28718 [0,1,0,0,0,1|1,0,1]=4 612 B9R1.1 OC1=CC=C(CO)N=C1 AK-68040 [0,1,0,0,0,1|1,0,1]=4 613 B9R1.1 OC1=CN=C(C=C1)OC AK-26060 [0,1,0,0,0,1|1,0,1]=4 614 B9R1.1 OC1=NN=C(CN)C=C1 AK601362 [0,1,0,0,0,1|1,0,1]=4 615 B9R1.1 OCC1=CC=C(Br)C=C1 AK-93775 [0,1,0,0,0,1|2,0,0]=4 616 B9R1.1 OCC1=CC=C(Br)N=C1 AK-28751 [0,1,0,0,0,1|1,0,1]=4 617 B9R1.1 OCC1=CC=C(C)C=C1 AK-92302 [0,1,0,0,0,1|1,0,0]=3 618 B9R1.1 OCC1=CC=C(Cl)C=C1 AK-94754 [0,1,0,0,0,1|2,0,0]=4 619 B9R1.1 OCC1=CC=C(Cl)N=N1 AK100622 [0,1,0,0,0,1|1,0,1]=4 620 B9R1.1 OCC1=CC=C(F)N=C1 AK-76831 [0,1,0,0,0,1|1,0,1]=4 621 B9R1.1 OCC1=CC=C(I)C=C1 AK-72872 [0,1,0,0,0,1|2,0,0]=4 622 B9R1.1 OCC1=CC=C(N)C=C1 AK-51503 [0,1,0,0,0,1|2,0,0]=4 623 B9R1.1 OCC1=CN=C(C)N=C1 AK-25033 [0,1,0,0,0,1|1,0,1]=4 624 B9R1.1 OCC1=NC=C(Cl)C=C1 AK136128 [0,1,0,0,0,1|1,0,1]=4 625 B9R1.1 OCC1=NC=C(F)C=C1 AK-36421 [0,1,0,0,0,1|1,0,1]=4 626 B9R1.69 BrC1=C(C=C(C=C1)C)N AK-26077 [0,1,0,0,0,1|2,0,0]=4 627 B9R1.69 BrC1=C(C=CC(=C1)O)C AK-35826 [0,1,0,0,0,1|2,0,0]=4 628 B9R1.69 BrC1=CC(=C(C=C1)C)Cl AK-53761 [0,1,0,0,0,1|2,0,0]=4 629 B9R1.69 BrC1=CC(=C(C=C1)C)O AK-23990 [0,1,0,0,0,1|2,0,0]=4 630 B9R1.69 BrC1=CN=C(C(=C1)C)C AK-55129 [0,1,0,0,0,1|1,0,1]=4 631 B9R1.69 BrC1=CN=C(C(=C1)N)C AK-36852 [0,1,0,0,0,1|1,0,1]=4 632 B9R1.69 BrC1=CN=C(C(=C1)O)C AK-54789 [0,1,0,0,0,1|1,0,1]=4 633 B9R1.69 BrC1=CNC(C(=C1)F)=O AK-78837 [0,1,0,0,0,1|2,0,0]=4 634 B9R1.69 C1=C(C(=CC=C1Br)C)Br AK-53776 [0,1,0,0,0,1|2,0,0]=4 635 B9R1.69 C1=C(C(=CC=C1Br)C)F AK-47312 [0,1,0,0,0,1|2,0,0]=4 636 B9R1.69 C1=C(C(=CC=C1C)Br)Cl AK-53768 [0,1,0,0,0,1|2,0,0]=4 637 B9R1.69 C1=C(C(=CC=C1C)C)Br AK-47276 [0,1,0,0,0,1|1,0,0]=3 638 B9R1.69 C1=C(C(=CC=C1C)Cl)Br AK-35694 [0,1,0,0,0,1|2,0,0]=4 639 B9R1.69 C1=C(C(=CC=C1C)O)Cl AK-36041 [0,1,0,0,0,1|2,0,0]=4 640 B9R1.69 C1=C(C(=CC=C1F)C)N AK-34872 [0,1,0,0,0,1|2,0,0]=4 641 B9R1.69 C1=C(C(=CC=C1N)C)Br AK-36357 [0,1,0,0,0,1|2,0,0]=4 642 B9R1.69 C1=C(C(=NC(=C1)C)I)O AK-27802 [0,1,0,0,0,1|1,0,1]=4 643 B9R1.69 C1=C(C(=NC=C1C)Br)Br AK-25716 [0,1,0,0,0,1|1,0,1]=4 644 B9R1.69 C1=C(C)C=CC(=C1N)Cl AK-36982 [0,1,0,0,0,1|2,0,0]=4 645 B9R1.69 C1=C(C)C=CC(=C1N)F AK-35225 [0,1,0,0,0,1|2,0,0]=4 646 B9R1.69 C1=C(C=CC(=C1N)C)I AK-36510 [0,1,0,0,0,1|2,0,0]=4 647 B9R1.69 C1=C(F)C=CC(=C1O)C AK-47653 [0,1,0,0,0,1|2,0,0]=4 648 B9R1.69 C1=C(N)C=CC(=C1O)C AK-46680 [0,1,0,0,0,1|2,0,0]=4 649 B9R1.69 C1=C(O)C(=NC(=C1)C)N AK-31272 [0,1,0,0,0,1|1,0,1]=4 650 B9R1.69 C1=CC(=NC(=C1Br)Cl)C AK-33834 [0,1,0,0,0,1|1,0,1]=4 651 B9R1.69 C1=CC(=NC(=C1N)Cl)C AK-27681 [0,1,0,0,0,1|1,0,1]=4 652 B9R1.69 CC1=C(Br)C=C(I)C=C1 AK-34449 [0,1,0,0,0,1|2,0,0]=4 653 B9R1.69 CC1=C(C)C=C(I)C=C1 AK-87089 [0,1,0,0,0,1|2,0,0]=4 654 B9R1.69 CC1=C(Cl)C=C(O)C=C1 AK-35860 [0,1,0,0,0,1|2,0,0]=4 655 B9R1.69 CC1=C(I)C=C(Br)C=C1 AK-77204 [0,1,0,0,0,1|2,0,0]=4 656 B9R1.69 CC1=C(N)C=C(Br)C=C1 AK-35005 [0,1,0,0,0,1|2,0,0]=4 657 B9R1.69 CC1=CC(C)=NC=C1Br AK-80658 [0,1,0,0,0,1|1,0,1]=4 658 B9R1.69 CC1=CC(Cl)=NNC1=O AK110547 [0,1,0,0,0,1|2,0,0]=4 659 B9R1.69 CC1=CC(I)=C(Br)C=C1 AK-40336 [0,1,0,0,0,1|2,0,0]=4 660 B9R1.69 CC1=CC(O)=C(Br)C=C1 AK-89491 [0,1,0,0,0,1|2,0,0]=4 661 B9R1.69 CC1=CC=C(Br)C(Br)=C1 AK-86340 [0,1,0,0,0,1|2,0,0]=4 662 B9R1.69 CC1=CC=C(Br)C(Br)=N1 AK-29953 [0,1,0,0,0,1|1,0,1]=4 663 B9R1.69 CC1=CC=C(Br)C(C)=N1 AK-25808 [0,1,0,0,0,1|1,0,1]=4 664 B9R1.69 CC1=CC=C(Br)C(F)=C1 AK-43505 [0,1,0,0,0,1|2,0,0]=4 665 B9R1.69 CC1=CC=C(Br)C(F)=N1 AK-29244 [0,1,0,0,0,1|1,0,1]=4 666 B9R1.69 CC1=CC=C(Br)C(N)=N1 AK-33048 [0,1,0,0,0,1|1,0,1]=4 667 B9R1.69 CC1=CC=C(C)C(N)=N1 AK-29554 [0,1,0,0,0,1|0,0,1]=3 668 B9R1.69 CC1=CC=C(Cl)C(Cl)=N1 AK-51652 [0,1,0,0,0,1|1,0,1]=4 669 B9R1.69 CC1=CC=C(Cl)C=C1Br AK-34468 [0,1,0,0,0,1|2,0,0]=4 670 B9R1.69 CC1=CC=C(Cl)N=C1C AK121756 [0,1,0,0,0,1|1,0,1]=4 671 B9R1.69 CC1=CC=C(Cl)N=C1Cl AK-35762 [0,1,0,0,0,1|1,0,1]=4 672 B9R1.69 CC1=CC=C(F)C(Br)=N1 AK-29239 [0,1,0,0,0,1|1,0,1]=4 673 B9R1.69 CC1=CC=C(F)C(Cl)=C1 AK-53765 [0,1,0,0,0,1|2,0,0]=4 674 B9R1.69 CC1=CC=C(F)C(Cl)=N1 AK-29237 [0,1,0,0,0,1|1,0,1]=4 675 B9R1.69 CC1=CC=C(F)C(I)=C1 AK115137 [0,1,0,0,0,1|2,0,0]=4 676 B9R1.69 CC1=CC=C(F)C=C1Br AK-33261 [0,1,0,0,0,1|2,0,0]=4 677 B9R1.69 CC1=CC=C(F)C=C1Cl AK-53758 [0,1,0,0,0,1|2,0,0]=4 678 B9R1.69 CC1=CC=C(F)C=C1I AK-57736 [0,1,0,0,0,1|2,0,0]=4 679 B9R1.69 CC1=CC=C(I)C(Br)=C1 AK117493 [0,1,0,0,0,1|2,0,0]=4 680 B9R1.69 CC1=CC=C(I)C(F)=C1 AK-35223 [0,1,0,0,0,1|2,0,0]=4 681 B9R1.69 CC1=CC=C(I)C(F)=N1 AK-36693 [0,1,0,0,0,1|1,0,1]=4 682 B9R1.69 CC1=CC=C(I)C=C1F AK-53774 [0,1,0,0,0,1|2,0,0]=4 683 B9R1.69 CC1=CC=C(N)C(Br)=N1 AK-25340 [0,1,0,0,0,1|1,0,1]=4 684 B9R1.69 CC1=CC=C(N)C(N)=C1 AK-45900 [0,1,0,0,0,1|2,0,0]=4 685 B9R1.69 CC1=CC=C(N)N=C1N AK-55063 [0,1,0,0,0,1|1,0,1]=4 686 B9R1.69 CC1=CC=C(O)C(Br)=N1 AK-31903 [0,1,0,0,0,1|1,0,1]=4 687 B9R1.69 CC1=CN=C(Br)C(C)=C1 AK-41105 [0,1,0,0,0,1|1,0,1]=4 688 B9R1.69 CC1=CN=C(Br)C(Cl)=C1 AK-30276 [0,1,0,0,0,1|1,0,1]=4 689 B9R1.69 CC1=CN=C(Br)C(F)=C1 AK-37281 [0,1,0,0,0,1|1,0,1]=4 690 B9R1.69 CC1=CN=C(Br)C=C1N AK-80935 [0,1,0,0,0,1|1,0,1]=4 691 B9R1.69 CC1=CN=C(C)C(C)=N1 AK114354 [0,1,0,0,0,1|1,0,1]=4 692 B9R1.69 CC1=CN=C(C)C(Cl)=N1 AK-44807 [0,1,0,0,0,1|1,0,1]=4 693 B9R1.69 CC1=CN=C(Cl)C(Br)=C1 AK-26896 [0,1,0,0,0,1|1,0,1]=4 694 B9R1.69 CC1=CN=C(Cl)C(Cl)=C1 AK-76719 [0,1,0,0,0,1|1,0,1]=4 695 B9R1.69 CC1=CN=C(Cl)C(N)=C1 AK-29196 [0,1,0,0,0,1|1,0,1]=4 696 B9R1.69 CC1=CN=C(Cl)C=C1Br AK-77622 [0,1,0,0,0,1|1,0,1]=4 697 B9R1.69 CC1=CN=C(Cl)C=C1I AK-82031 [0,1,0,0,0,1|1,0,1]=4 698 B9R1.69 CC1=CN=C(F)C(Br)=C1 AK-27161 [0,1,0,0,0,1|1,0,1]=4 699 B9R1.69 CC1=CN=C(F)C(C)=C1 AK-61470 [0,1,0,0,0,1|1,0,1]=4 700 B9R1.69 CC1=CN=C(F)C=C1I AK-28807 [0,1,0,0,0,1|1,0,1]=4 701 B9R1.69 CC1=CN=C(N)C=C1Cl AK-81046 [0,1,0,0,0,1|1,0,1]=4 702 B9R1.69 CC1=CNC(=O)N=C1N AK-49901 [0,1,0,0,0,1|2,0,0]=4 703 B9R1.69 CC1=NC(I)=C(C)N=C1 AK-80700 [0,1,0,0,0,1|1,0,1]=4 704 B9R1.69 CC1=NC=C(Br)C(N)=C1 AK-29767 [0,1,0,0,0,1|1,0,1]=4 705 B9R1.69 CC1=NC=C(Br)C=C1Br AK-29994 [0,1,0,0,0,1|1,0,1]=4 706 B9R1.69 CC1=NC=C(Br)C=C1Cl AK-84453 [0,1,0,0,0,1|1,0,1]=4 707 B9R1.69 CC1=NC=C(F)C(Br)=C1 AK-93165 [0,1,0,0,0,1|1,0,1]=4 708 B9R1.69 CC1=NC=C(N)C(C)=C1 AK-32962 [0,1,0,0,0,1|1,0,1]=4 709 B9R1.69 CC1=NN=C(Cl)C=C1Cl AK127040 [0,1,0,0,0,1|1,0,1]=4 710 B9R1.69 CN1C=C(F)C=CC1=O AK-35401 [0,1,0,0,0,1|2,0,0]=4 711 B9R1.69 CN1C=C(N)C=CC1=O AK-68122 [0,1,0,0,0,1|2,0,0]=4 712 B9R1.69 ClC1=C(C=C(C=C1)C)F AK-46384 [0,1,0,0,0,1|2,0,0]=4 713 B9R1.69 ClC1=CC(=O)NN=C1Cl AK-89901 [0,1,0,0,0,1|2,0,0]=4 714 B9R1.69 ClC1=CC(=O)NNC1=O AK-31896 [0,1,0,0,0,1|2,0,0]=4 715 B9R1.69 ClC1=NC=C(C(=C1)Cl)C AK-43996 [0,1,0,0,0,1|1,0,1]=4 716 B9R1.69 ClC1=NC=C(C=C1F)C AK-25816 [0,1,0,0,0,1|1,0,1]=4 717 B9R1.69 ClC1=NNC(=O)C(Br)=C1 AK-76802 [0,1,0,0,0,1|2,0,0]=4 718 B9R1.69 ClC1=NNC(=O)C(Cl)=C1 AK-89904 [0,1,0,0,0,1|2,0,0]=4 719 B9R1.69 FC1=C(C=CC(=C1)O)C AK-35222 [0,1,0,0,0,1|2,0,0]=4 720 B9R1.69 FC1=NC=C(C=C1I)C AK-33428 [0,1,0,0,0,1|1,0,1]=4 721 B9R1.69 NC1=CC(=CN=C1Br)C AK-29197 [0,1,0,0,0,1|1,0,1]=4 722 B9R1.69 NC1=CC(C)=CC=C1I AK-33114 [0,1,0,0,0,1|2,0,0]=4 723 B9R1.69 NC1=CC(C)=NC=C1C AK126931 [0,1,0,0,0,1|0,0,1]=3 724 B9R1.69 NC1=CC(Cl)=NC=C1C AK-67587 [0,1,0,0,0,1|1,0,1]=4 725 B9R1.69 NC1=CC=C(C)C(F)=C1 AK-35221 [0,1,0,0,0,1|2,0,0]=4 726 B9R1.69 NC1=CC=C(C)C(I)=C1 AK-94144 [0,1,0,0,0,1|2,0,0]=4 727 B9R1.69 NC1=CC=C(C)C=C1Br AK-35743 [0,1,0,0,0,1|2,0,0]=4 728 B9R1.69 NC1=CC=C(C)C=C1Cl AK-35861 [0,1,0,0,0,1|2,0,0]=4 729 B9R1.69 NC1=CC=C(C)C=C1F AK-25990 [0,1,0,0,0,1|2,0,0]=4 730 B9R1.69 NC1=CC=C(C)C=C1I AK-41007 [0,1,0,0,0,1|2,0,0]=4 731 B9R1.69 NC1=CC=C(C)N=C1C AK-39495 [0,1,0,0,0,1|1,0,1]=4 732 B9R1.69 NC1=CC=C(C)N=C1I AK140953 [0,1,0,0,0,1|1,0,1]=4 733 B9R1.69 NC1=NC(Br)=CC=C1C AK152582 [0,1,0,0,0,1|1,0,1]=4 734 B9R1.69 NC1=NC(C)=C(C)C=C1 AK130279 [0,1,0,0,0,1|1,0,1]=4 735 B9R1.69 NC1=NC(C)=CC=C1I AK-77647 [0,1,0,0,0,1|1,0,1]=4 736 B9R1.69 NC1=NC(C)=CC=C1N AK150580 [0,1,0,0,0,1|1,0,1]=4 737 B9R1.69 NC1=NC(C)=CN=C1C AK-80606 [0,1,0,0,0,1|1,0,1]=4 738 B9R1.69 NC1=NC(C)=NC=C1C AK127889 [0,1,0,0,0,1|1,0,1]=4 739 B9R1.69 NC1=NC(Cl)=C(C)C=C1 AK-31304 [0,1,0,0,0,1|1,0,1]=4 740 B9R1.69 NC1=NC=C(C)C(I)=C1 AK148253 [0,1,0,0,0,1|1,0,1]=4 741 B9R1.69 NC1=NC=C(C)C=C1C AK-68338 [0,1,0,0,0,1|1,0,1]=4 742 B9R1.69 NC1=NC=C(C)C=C1I AK135401 [0,1,0,0,0,1|1,0,1]=4 743 B9R1.69 NC1=NC=C(C=C1N)C AK-29062 [0,1,0,0,0,1|1,0,1]=4 744 B9R1.69 O=C1C(Br)=CC(C)=NN1 AK114144 [0,1,0,0,0,1|1,0,0]=3 745 B9R1.69 O=C1C(Br)=CC(NN1)=O AK-28485 [0,1,0,0,0,1|2,0,0]=4 746 B9R1.69 O=C1C(C)=CC(Br)=CN1 AK-30177 [0,1,0,0,0,1|2,0,0]=4 747 B9R1.69 O=C1C(Cl)=CC(Br)=CN1 AK-35736 [0,1,0,0,0,1|2,0,0]=4 748 B9R1.69 O=C1C(Cl)=NC(C)=CN1 AK137298 [0,1,0,0,0,1|2,0,0]=4 749 B9R1.69 O=C1C(F)=CC(Cl)=CN1 AK-24041 [0,1,0,0,0,1|2,0,0]=4 750 B9R1.69 O=C1C(I)=CC(Br)=CN1 AK138249 [0,1,0,0,0,1|2,0,0]=4 751 B9R1.69 O=C1C(N)=CC(Br)=CN1 AK-29644 [0,1,0,0,0,1|2,0,0]=4 752 B9R1.69 O=C1C(N)=CC(C)=CN1 AK-40029 [0,1,0,0,0,1|1,0,0]=3 753 B9R1.69 O=C1C(N)=CC(Cl)=CN1 AK-29637 [0,1,0,0,0,1|2,0,0]=4 754 B9R1.69 O=C1C(N)=CC=C(Br)N1 AK-33149 [0,1,0,0,0,1|2,0,0]=4 755 B9R1.69 O=C1C(N)=NC=C(C)N1 AK143808 [0,1,0,0,0,1|2,0,0]=4 756 B9R1.69 O=C1C=C(C)C(Cl)=NN1 AK-77089 [0,1,0,0,0,1|2,0,0]=4 757 B9R1.69 O=C1C=C(Cl)C(Cl)=CN1 AK141872 [0,1,0,0,0,1|2,0,0]=4 758 B9R1.69 O=C1C=C(O)C(Cl)=CN1 AK208636 [0,1,0,0,0,1|2,0,0]=4 759 B9R1.69 O=C1C=CC(Br)=NN1C AK121039 [0,1,0,0,0,1|2,0,0]=4 760 B9R1.69 O=C1C=CC(I)=C(C)N1 AK-53679 [0,1,0,0,0,1|2,0,0]=4 761 B9R1.69 O=C1N=C(N)C(C)=CN1 AK106128 [0,1,0,0,0,1|2,0,0]=4 762 B9R1.69 O=C1NC(C(C)=CN1)=O AK-50015 [0,1,0,0,0,1|2,0,0]=4 763 B9R1.69 OC1=CC(C)=CC=C1F AK-35958 [0,1,0,0,0,1|2,0,0]=4 764 B9R1.69 OC1=CC(C)=CC=C1N AK-86217 [0,1,0,0,0,1|2,0,0]=4 765 B9R1.69 OC1=CC(C)=CN=C1Cl AK126258 [0,1,0,0,0,1|1,0,1]=4 766 B9R1.69 OC1=CC(C)=NC=C1Br AK150768 [0,1,0,0,0,1|1,0,1]=4 767 B9R1.69 OC1=CC(Cl)=C(C)N=C1 AK150753 [0,1,0,0,0,1|1,0,1]=4 768 B9R1.69 OC1=CC=C(C)C(N)=C1 AK-34510 [0,1,0,0,0,1|2,0,0]=4 769 B9R1.69 OC1=CC=C(C)C(O)=C1 AK-81912 [0,1,0,0,0,1|2,0,0]=4 770 B9R1.69 OC1=CC=C(C)C=C1Br AK-36035 [0,1,0,0,0,1|2,0,0]=4 771 B9R1.69 OC1=CC=C(C)C=C1F AK-53739 [0,1,0,0,0,1|2,0,0]=4 772 B9R1.69 OC1=CC=C(C)C=C1I AK137668 [0,1,0,0,0,1|2,0,0]=4 773 B9R1.69 OC1=CC=C(C)C=C1O AK163402 [0,1,0,0,0,1|2,0,0]=4 774 B9R1.69 OC1=CC=C(C)N=C1C AK-28572 [0,1,0,0,0,1|1,0,1]=4 775 B9R1.69 OC1=NC=C(C)C(N)=C1 AK128273 [0,1,0,0,0,1|1,0,1]=4 776 B9R1.69 OC1=NC=C(C)C=C1Br AK-63321 [0,1,0,0,0,1|1,0,1]=4 777 B9R1.2 BrC1=CC(=CN=C1)CC AK-54800 [0,1,0,0,0,1|2,0,0]=4 778 B9R1.2 BrC1=CC(=NC=C1)CN AK-30719 [0,1,0,0,0,1|2,0,0]=4 779 B9R1.2 BrC1=CN=CC(=C1)CO AK-29246 [0,1,0,0,0,1|2,0,0]=4 780 B9R1.2 BrC1=NC(=CC=N1)OC AK-27677 [0,1,0,0,0,1|1,0,1]=4 781 B9R1.2 BrC1=NC(=NC=C1)NC AK-31813 [0,1,0,0,0,1|1,0,1]=4 782 B9R1.2 BrC1=NC=CC(=C1)CO AK-25314 [0,1,0,0,0,1|2,0,0]=4 783 B9R1.2 BrCC1=CC(Br)=NC=C1 AK-53557 [0,1,0,0,0,1|2,0,0]=4 784 B9R1.2 BrCC1=CC(I)=CC=C1 AK-54649 [0,1,0,0,0,1|2,0,0]=4 785 B9R1.2 BrCC1=CC=CC(Br)=N1 AK-48524 [0,1,0,0,0,1|1,0,1]=4 786 B9R1.2 C(#N)C1=NC=CC(=C1)C AK-33550 [0,1,0,0,0,1|1,0,1]=4 787 B9R1.2 C1=C(C=CN=C1OC)N AK-28456 [0,1,0,0,0,1|2,0,0]=4 788 B9R1.2 C1=C(CO)C=CC=C1N AK-50595 [0,1,0,0,0,1|2,0,0]=4 789 B9R1.2 C1=C(NN)C=CC=C1C AK-47381 [0,1,0,0,0,1|2,0,0]=4 790 B9R1.2 C1=C(OC)N=C(N=C1)N AK-22144 [0,1,0,0,0,1|1,0,1]=4 791 B9R1.2 C1=CC(=NC(=C1)C)C#N AK-29900 [0,1,0,0,0,1|0,0,2]=4 792 B9R1.2 C1=CC=C(N=C1OC)Br AK-25939 [0,1,0,0,0,1|1,0,1]=4 793 B9R1.2 C1=CC=C(N=C1OC)C AK-44038 [0,1,0,0,0,1|0,0,1]=3 794 B9R1.2 C1=CC=C(N=C1OC)Cl AK-25492 [0,1,0,0,0,1|1,0,1]=4 795 B9R1.2 CC1=CC(=CN=C1)C=O AK-28384 [0,1,0,0,0,1|1,0,1]=4 796 B9R1.2 CC1=CC(=NC=C1)C=O AK-24250 [0,1,0,0,0,1|1,0,1]=4 797 B9R1.2 CC1=CC(CCl)=NC=C1 AK-74194 [0,1,0,0,0,1|1,0,0]=3 798 B9R1.2 CC1=CC(CO)=NC=C1 AK-74173 [0,1,0,0,0,1|1,0,0]=3 799 B9R1.2 CC1=CC(OC)=NC=C1 AK-39493 [0,1,0,0,0,1|1,0,0]=3 800 B9R1.2 CC1=CC(OC)=NC=N1 AK340251 [0,1,0,0,0,1|2,0,0]=4 801 B9R1.2 CC1=CC=CC(CBr)=N1 AK-44889 [0,1,0,0,0,1|0,0,1]=3 802 B9R1.2 CC1=CC=CC(CCl)=N1 AK-40015 [0,1,0,0,0,1|0,0,1]=3 803 B9R1.2 CC1=CN=CC(CBr)=C1 AK-56105 [0,1,0,0,0,1|1,0,0]=3 804 B9R1.2 CC1=NC=CC(=N1)C=O AK-23647 [0,1,0,0,0,1|0,0,2]=4 805 B9R1.2 CC1=NC=CC(OC)=N1 AK-59113 [0,1,0,0,0,1|0,0,1]=3 806 B9R1.2 CCC1=CC(N)=NC=C1 AK-29170 [0,1,0,0,0,1|2,0,0]=4 807 B9R1.2 CCC1=CC=CC(Br)=C1 AK111102 [0,1,0,0,0,1|2,0,0]=4 808 B9R1.2 CCC1=CC=CC(Br)=N1 AK-65167 [0,1,0,0,0,1|1,0,1]=4 809 B9R1.2 CCC1=NC=CC(Br)=C1 AK129552 [0,1,0,0,0,1|2,0,0]=4 810 B9R1.2 CNC1=CC(Br)=NC=C1 AK161537 [0,1,0,0,0,1|2,0,0]=4 811 B9R1.2 CNC1=CC=CC(Br)=C1 AK112706 [0,1,0,0,0,1|2,0,0]=4 812 B9R1.2 CNC1=NC(Cl)=CC=C1 AK-48574 [0,1,0,0,0,1|1,0,1]=4 813 B9R1.2 CNC1=NC(Cl)=NC=C1 AK115794 [0,1,0,0,0,1|1,0,1]=4 814 B9R1.2 CNC1=NC=CC(Br)=C1 AK141589 [0,1,0,0,0,1|2,0,0]=4 815 B9R1.2 COC1=CC(Br)=CC=C1 AK-76817 [0,1,0,0,0,1|2,0,0]=4 816 B9R1.2 COC1=CC(Br)=NC=C1 AK-36780 [0,1,0,0,0,1|2,0,0]=4 817 B9R1.2 COC1=CC(C)=NC=C1 AK-67862 [0,1,0,0,0,1|1,0,0]=3 818 B9R1.2 COC1=CC(Cl)=CC=C1 AK106212 [0,1,0,0,0,1|2,0,0]=4 819 B9R1.2 COC1=CC(Cl)=NC=C1 AK-25114 [0,1,0,0,0,1|2,0,0]=4 820 B9R1.2 COC1=CC=CC(F)=N1 AK130132 [0,1,0,0,0,1|1,0,1]=4 821 B9R1.2 COC1=CN=CC(=C1)O AK-28499 [0,1,0,0,0,1|2,0,0]=4 822 B9R1.2 COC1=CN=CC(Br)=C1 AK-26045 [0,1,0,0,0,1|2,0,0]=4 823 B9R1.2 COC1=CN=CC(I)=N1 AK-94548 [0,1,0,0,0,1|1,0,1]=4 824 B9R1.2 COC1=NC(Cl)=NC=C1 AK-25127 [0,1,0,0,0,1|1,0,1]=4 825 B9R1.2 COC1=NC=CC(=O)N1 AK-25126 [0,1,0,0,0,1|1,0,0]=3 826 B9R1.2 COC1=NC=CC(Br)=C1 AK-47404 [0,1,0,0,0,1|2,0,0]=4 827 B9R1.2 COC1=NC=CC(F)=C1 AK-77188 [0,1,0,0,0,1|2,0,0]=4 828 B9R1.2 COC1=NC=CC(I)=C1 AK-37008 [0,1,0,0,0,1|2,0,0]=4 829 B9R1.2 CSC1=CC=CC(Br)=N1 AK159822 [0,1,0,0,0,1|1,0,1]=4 830 B9R1.2 CSC1=NC(Cl)=NC=C1 AK-29307 [0,1,0,0,0,1|1,0,1]=4 831 B9R1.2 CSC1=NC=CC(Br)=N1 AK-28067 [0,1,0,0,0,1|1,0,1]=4 832 B9R1.2 CSC1=NC=CC(Cl)=N1 AK-29306 [0,1,0,0,0,1|1,0,1]=4 833 B9R1.2 CSC1=NC=CC(N1)=O AK-26630 [0,1,0,0,0,1|1,0,0]=3 834 B9R1.2 ClC1=CC(=NC=C1)CN AK-28137 [0,1,0,0,0,1|2,0,0]=4 835 B9R1.2 ClC1=CC(=NC=C1)CO AK-27991 [0,1,0,0,0,1|2,0,0]=4 836 B9R1.2 ClC1=CC(=NC=C1)OC AK-26290 [0,1,0,0,0,1|2,0,0]=4 837 B9R1.2 ClC1=CC(=NC=C1)SC AK-25786 [0,1,0,0,0,1|2,0,0]=4 838 B9R1.2 ClC1=CC(CO)=CC=C1 AK-51231 [0,1,0,0,0,1|2,0,0]=4 839 B9R1.2 ClC1=CC=CC(=N1)CO AK-28428 [0,1,0,0,0,1|1,0,1]=4 840 B9R1.2 ClC1=CN=CC(=C1)CO AK-23534 [0,1,0,0,0,1|2,0,0]=4 841 B9R1.2 ClC1=CN=CC(=N1)NC AK-41779 [0,1,0,0,0,1|1,0,1]=4 842 B9R1.2 ClC1=NC(=CN=C1)OC AK-29172 [0,1,0,0,0,1|1,0,1]=4 843 B9R1.2 ClC1=NC(=NC=C1)NC AK-31812 [0,1,0,0,0,1|1,0,1]=4 844 B9R1.2 ClC1=NC(=NC=C1)OC AK-37477 [0,1,0,0,0,1|1,0,1]=4 845 B9R1.2 ClC1=NC=CC(CBr)=C1 AK-50155 [0,1,0,0,0,1|2,0,0]=4 846 B9R1.2 ClC1=NC=CC(CBr)=C1 AK163959 [0,1,0,0,0,1|2,0,0]=4 847 B9R1.2 ClCC1=CC(=CN=C1)C AK-33495 [0,1,0,0,0,1|1,0,0]=3 848 B9R1.2 ClCC1=CC(I)=CC=C1 AK-94390 [0,1,0,0,0,1|2,0,0]=4 849 B9R1.2 ClCC1=CC=CC(Br)=N1 AK151971 [0,1,0,0,0,1|1,0,1]=4 850 B9R1.2 ClCC1=CN=CC(Br)=C1 AK-88388 [0,1,0,0,0,1|2,0,0]=4 851 B9R1.2 ClCC1=NC=CC(Cl)=C1 AK-46990 [0,1,0,0,0,1|2,0,0]=4 852 B9R1.2 FC1=CC(CO)=CC=C1 AK-51232 [0,1,0,0,0,1|2,0,0]=4 853 B9R1.2 FC1=CC=CC(CBr)=N1 AK-77216 [0,1,0,0,0,1|1,0,1]=4 854 B9R1.2 FC1=CC=CC(CCl)=N1 AK137993 [0,1,0,0,0,1|1,0,1]=4 855 B9R1.2 IC1=NC=CC(=N1)OC AK-22058 [0,1,0,0,0,1|1,0,1]=4 856 B9R1.2 N(N)C1=NC(=CC=C1)C AK-35513 [0,1,0,0,0,1|1,0,1]=4 857 B9R1.2 NC1=CC(=CN=C1)OC AK-27775 [0,1,0,0,0,1|2,0,0]=4 858 B9R1.2 NC1=CC(NC)=NC=C1 AK118733 [0,1,0,0,0,1|2,0,0]=4 859 B9R1.2 NC1=CC=CC(CN)=C1 AK-76655 [0,1,0,0,0,1|2,0,0]=4 860 B9R1.2 NC1=CC=CC(CO)=N1 AK-85732 [0,1,0,0,0,1|1,0,1]=4 861 B9R1.2 NC1=CC=CC(OC)=C1 AK309398 [0,1,0,0,0,1|2,0,0]=4 862 B9R1.2 NC1=CC=CC(SC)=C1 AK162933 [0,1,0,0,0,1|2,0,0]=4 863 B9R1.2 NC1=NC(=CC=C1)OC AK-27734 [0,1,0,0,0,1|1,0,1]=4 864 B9R1.2 NC1=NC(=CN=C1)OC AK-24224 [0,1,0,0,0,1|1,0,1]=4 865 B9R1.2 NC1=NC(CC)=CC=C1 AK-28992 [0,1,0,0,0,1|1,0,1]=4 866 B9R1.2 NC1=NC(OC)=NC=C1 AK-23728 [0,1,0,0,0,1|1,0,1]=4 867 B9R1.2 NC1=NC=CC(=C1)CN AK-28487 [0,1,0,0,0,1|2,0,0]=4 868 B9R1.2 NC1=NC=CC(=C1)OC AK-25255 [0,1,0,0,0,1|2,0,0]=4 869 B9R1.2 NCC1=CC(Br)=NC=C1 AK111031 [0,1,0,0,0,1|2,0,0]=4 870 B9R1.2 NCC1=CC(C)=NC=C1 AK130210 [0,1,0,0,0,1|1,0,0]=3 871 B9R1.2 NCC1=CC(Cl)=NC=C1 AK-90264 [0,1,0,0,0,1|2,0,0]=4 872 B9R1.2 NCC1=CC(F)=CC=C1 AK-80195 [0,1,0,0,0,1|2,0,0]=4 873 B9R1.2 NCC1=CC(F)=NC=C1 AK186950 [0,1,0,0,0,1|2,0,0]=4 874 B9R1.2 NCC1=CC=CC(Br)=C1 AK-49144 [0,1,0,0,0,1|2,0,0]=4 875 B9R1.2 NCC1=CC=CC(C)=C1 AK-98167 [0,1,0,0,0,1|1,0,0]=3 876 B9R1.2 NCC1=CC=CC(Cl)=C1 AK-89641 [0,1,0,0,0,1|2,0,0]=4 877 B9R1.2 NCC1=CC=CC(I)=C1 AK-46127 [0,1,0,0,0,1|2,0,0]=4 878 B9R1.2 NCC1=NC(Br)=CC=C1 AK-39249 [0,1,0,0,0,1|1,0,1]=4 879 B9R1.2 NCC1=NC(Br)=CC=C1 AK-79055 [0,1,0,0,0,1|1,0,1]=4 880 B9R1.2 NCC1=NC(Cl)=CC=C1 AK105012 [0,1,0,0,0,1|1,0,1]=4 881 B9R1.2 NCC1=NC(Cl)=CN=C1 AK130178 [0,1,0,0,0,1|1,0,1]=4 882 B9R1.2 NCC1=NC(F)=CC=C1 AK112462 [0,1,0,0,0,1|1,0,1]=4 883 B9R1.2 NCC1=NC=CC(Br)=C1 AK-76280 [0,1,0,0,0,1|2,0,0]=4 884 B9R1.2 NCC1=NC=CC(Cl)=C1 AK164315 [0,1,0,0,0,1|2,0,0]=4 885 B9R1.2 NCC1=NC=CC(F)=C1 AK133025 [0,1,0,0,0,1|2,0,0]=4 886 B9R1.2 O=C1C=C(OC)C=CN1 AK-35484 [0,1,0,0,0,1|2,0,0]=4 887 B9R1.2 O=C1NC(SC)=NC=C1 AK-43583 [0,1,0,0,0,1|1,0,0]=3 888 B9R1.2 O=CC1=CC=NC(C)=C1 AK-30085 [0,1,0,0,0,1|1,0,1]=4 889 B9R1.2 O=CC1=NC(C)=CC=C1 AK-45099 [0,1,0,0,0,1|0,0,2]=4 890 B9R1.2 OC1=CC(CBr)=CC=C1 AK-99880 [0,1,0,0,0,1|2,0,0]=4 891 B9R1.2 OC1=CC(OC)=NC=C1 AK-68345 [0,1,0,0,0,1|2,0,0]=4 892 B9R1.2 OCC1=CC(=O)NC=C1 AK-72519 [0,1,0,0,0,1|2,0,0]=4 893 B9R1.2 OCC1=CC(C)=CN=C1 AK130310 [0,1,0,0,0,1|1,0,0]=3 894 B9R1.2 OCC1=CC(C)=NC=C1 AK-32751 [0,1,0,0,0,1|1,0,0]=3 895 B9R1.2 OCC1=CC(Cl)=NC=C1 AK-32643 [0,1,0,0,0,1|2,0,0]=4 896 B9R1.2 OCC1=CC(F)=NC=C1 AK-57689 [0,1,0,0,0,1|2,0,0]=4 897 B9R1.2 OCC1=CC(N)=CN=C1 AK135137 [0,1,0,0,0,1|2,0,0]=4 898 B9R1.2 OCC1=CC(N)=NC=C1 AK-25275 [0,1,0,0,0,1|2,0,0]=4 899 B9R1.2 OCC1=CC=CC(Br)=C1 AK110441 [0,1,0,0,0,1|2,0,0]=4 900 B9R1.2 OCC1=CC=CC(Br)=N1 AK-34739 [0,1,0,0,0,1|1,0,1]=4 901 B9R1.2 OCC1=CN=CC(Br)=N1 AK-68017 [0,1,0,0,0,1|1,0,1]=4 902 B9R1.2 OCC1=NC(C)=CC=C1 AK-47726 [0,1,0,0,0,1|0,0,1]=3 903 B9R1.2 OCC1=NC(Cl)=CC=C1 AK-29179 [0,1,0,0,0,1|1,0,1]=4 904 B9R1.2 OCC1=NC(Cl)=CN=C1 AK-98157 [0,1,0,0,0,1|1,0,1]=4 905 B9R1.2 OCC1=NC(N)=NC=C1 AK116314 [0,1,0,0,0,1|1,0,1]=4 906 B9R1.2 OCC1=NC=CC(Br)=C1 AK-25360 [0,1,0,0,0,1|2,0,0]=4 907 B9R1.3 BrC1=C(N)C(=CC=C1)C AK-40941 [0,1,0,0,0,1|2,0,0]=4 908 B9R1.3 C1=C(C(=C(C=C1)Cl)N)C AK-36668 [0,1,0,0,0,1|2,0,0]=4 909 B9R1.3 C1=C(C(=C(N=C1)Cl)N)C AK-28767 [0,1,0,0,0,1|2,0,0]=4 910 B9R1.3 C1=CC=C(C(=C1C)Br)C AK-47475 [0,1,0,0,0,1|1,0,0]=3 911 B9R1.3 C1=CC=C(C(=C1Cl)I)C AK-35390 [0,1,0,0,0,1|2,0,0]=4 912 B9R1.3 CC1=C(Br)C(Br)=NC=C1 AK-87094 [0,1,0,0,0,1|2,0,0]=4 913 B9R1.3 CC1=C(Br)C(C)=NC=C1 AK-29971 [0,1,0,0,0,1|1,0,0]=3 914 B9R1.3 CC1=C(Br)C(F)=CC=C1 AK-53756 [0,1,0,0,0,1|2,0,0]=4 915 B9R1.3 CC1=C(Br)C(F)=NC=C1 AK-36704 [0,1,0,0,0,1|2,0,0]=4 916 B9R1.3 CC1=C(Br)C(N)=NC=C1 AK-30371 [0,1,0,0,0,1|2,0,0]=4 917 B9R1.3 CC1=C(Br)C(O)=NC=C1 AK-87635 [0,1,0,0,0,1|2,0,0]=4 918 B9R1.3 CC1=C(Br)C=CN=C1C AK-68333 [0,1,0,0,0,1|2,0,0]=4 919 B9R1.3 CC1=C(C)C(Br)=NC=C1 AK137351 [0,1,0,0,0,1|2,0,0]=4 920 B9R1.3 CC1=C(C)C(Cl)=NC=C1 AK137975 [0,1,0,0,0,1|2,0,0]=4 921 B9R1.3 CC1=C(Cl)C(Br)=NC=C1 AK-62074 [0,1,0,0,0,1|2,0,0]=4 922 B9R1.3 CC1=C(Cl)C(C)=CC=C1 AK326084 [0,1,0,0,0,1|1,0,0]=3 923 B9R1.3 CC1=C(Cl)C(Cl)=NC=C1 AK135361 [0,1,0,0,0,1|2,0,0]=4 924 B9R1.3 CC1=C(F)C(Br)=CC=C1 AK-53771 [0,1,0,0,0,1|2,0,0]=4 925 B9R1.3 CC1=C(F)C(Br)=NC=C1 AK-36691 [0,1,0,0,0,1|2,0,0]=4 926 B9R1.3 CC1=C(F)C(C)=CC=C1 AK-35178 [0,1,0,0,0,1|1,0,0]=3 927 B9R1.3 CC1=C(F)C(Cl)=NC=C1 AK-36683 [0,1,0,0,0,1|2,0,0]=4 928 B9R1.3 CC1=C(I)C(Br)=CC=C1 AK167253 [0,1,0,0,0,1|2,0,0]=4 929 B9R1.3 CC1=C(I)C(F)=CC=C1 AK-36688 [0,1,0,0,0,1|2,0,0]=4 930 B9R1.3 CC1=C(N)C(Br)=NC=C1 AK-25341 [0,1,0,0,0,1|2,0,0]=4 931 B9R1.3 CC1=C(N)C(F)=NC=C1 AK-28166 [0,1,0,0,0,1|2,0,0]=4 932 B9R1.3 CC1=CC=CC(Cl)=C1Br AK-76810 [0,1,0,0,0,1|2,0,0]=4 933 B9R1.3 CC1=CC=CC(I)=C1Cl AK-79122 [0,1,0,0,0,1|2,0,0]=4 934 B9R1.3 CC1=CN=CC(Br)=C1C AK-48087 [0,1,0,0,0,1|2,0,0]=4 935 B9R1.3 CC1=NC=CC(Cl)=C1F AK-76733 [0,1,0,0,0,1|2,0,0]=4 936 B9R1.3 CC1=NC=CC(N)=C1N AK-28845 [0,1,0,0,0,1|2,0,0]=4 937 B9R1.3 CC1=NC=NC(C)=C1O AK-28281 [0,1,0,0,0,1|2,0,0]=4 938 B9R1.3 ClC1=C(C(=CN=C1)C)N AK-46573 [0,1,0,0,0,1|2,0,0]=4 939 B9R1.3 ClC1=NC=CC(=C1Br)C AK-50343 [0,1,0,0,0,1|2,0,0]=4 940 B9R1.3 FC1=C(N)C(=CC=C1)C AK-26980 [0,1,0,0,0,1|2,0,0]=4 941 B9R1.3 NC1=C(Br)C=NC=C1C AK-29636 [0,1,0,0,0,1|2,0,0]=4 942 B9R1.3 NC1=C(C)C=CC=C1C AK135982 [0,1,0,0,0,1|1,0,0]=3 943 B9R1.3 NC1=C(C)C=NC=C1C AK-35144 [0,1,0,0,0,1|1,0,0]=3 944 B9R1.3 NC1=C(C)N=CN=C1C AK-32298 [0,1,0,0,0,1|2,0,0]=4 945 B9R1.3 NC1=C(F)C(C)=NC=C1 AK321851 [0,1,0,0,0,1|2,0,0]=4 946 B9R1.3 NC1=C(N)C(C)=CN=C1 AK-33220 [0,1,0,0,0,1|2,0,0]=4 947 B9R1.3 NC1=CC=CC(=C1F)C AK-33947 [0,1,0,0,0,1|2,0,0]=4 948 B9R1.3 NC1=CC=CC(=C1O)C AK-25505 [0,1,0,0,0,1|2,0,0]=4 949 B9R1.3 NC1=CC=CC(C)=C1Br AK-65165 [0,1,0,0,0,1|2,0,0]=4 950 B9R1.3 NC1=CC=CC(C)=C1Cl AK-65171 [0,1,0,0,0,1|2,0,0]=4 951 B9R1.3 NC1=CC=CC(C)=C1N AK-61303 [0,1,0,0,0,1|2,0,0]=4 952 B9R1.3 NC1=NC=CC(C)=C1C AK-39823 [0,1,0,0,0,1|2,0,0]=4 953 B9R1.3 O=C1C=CC=C(Br)N1C AK-78126 [0,1,0,0,0,1|2,0,0]=4 954 B9R1.3 O=C1C=CC=C(Cl)N1C AK119855 [0,1,0,0,0,1|2,0,0]=4 955 B9R1.3 OC1=C(C)C=CC=C1Cl AK135681 [0,1,0,0,0,1|2,0,0]=4 956 B9R1.3 OC1=C(C)C=CN=C1Br AK137324 [0,1,0,0,0,1|2,0,0]=4 957 B9R1.3 OC1=CC=CC(C)=C1Br AK-86289 [0,1,0,0,0,1|2,0,0]=4 958 B9R1.3 OC1=CC=CC(C)=C1F AK-36371 [0,1,0,0,0,1|2,0,0]=4 959 B9R1.3 OC1=CC=CC(C)=C1O AK-76819 [0,1,0,0,0,1|2,0,0]=4 960 B9R1.3 [BH3-][N+]1=C(C)C=CC=C1C AK153144 [0,1,0,0,0,1|0,0,1]=3 961 B9R1.34 BrC1=CC(=CC(=C1)C)F AK-34003 [0,1,0,0,0,1|2,0,0]=4 962 B9R1.34 BrC1=CC(=CC(=C1)O)C AK-31142 [0,1,0,0,0,1|2,0,0]=4 963 B9R1.34 BrC1=NC(=CC(=C1)C)C AK-26024 [0,1,0,0,0,1|1,0,0]=3 964 B9R1.34 C1=C(N)C=C(Br)C=C1C AK-36277 [0,1,0,0,0,1|2,0,0]=4 965 B9R1.34 C1=C(N=C(C=C1C)N)C AK-35566 [0,1,0,0,0,1|1,0,0]=3 966 B9R1.34 C1=C(N=C(Cl)N=C1N)C AK-26879 [0,1,0,0,0,1|1,0,1]=4 967 B9R1.34 C1=C(N=C(N)N=C1Cl)C AK-29399 [0,1,0,0,0,1|1,0,1]=4 968 B9R1.34 C1=C(N=C(N=C1Cl)C)Cl AK-32230 [0,1,0,0,0,1|1,0,1]=4 969 B9R1.34 C1=C(N=C(N=C1N)C)Cl AK-21858 [0,1,0,0,0,1|1,0,1]=4 970 B9R1.34 CC1=CC(=O)C=C(O)N1 AK-29243 [0,1,0,0,0,1|1,0,0]=3 971 B9R1.34 CC1=CC(=O)N=C(N1)N AK-27705 [0,1,0,0,0,1|1,0,0]=3 972 B9R1.34 CC1=CC(=O)N=C(S)N1 AK-26985 [0,1,0,0,0,1|1,0,0]=3 973 B9R1.34 CC1=CC(Br)=CC(Br)=C1 AK-27065 [0,1,0,0,0,1|2,0,0]=4 974 B9R1.34 CC1=CC(Br)=CC(C)=C1 AK-49911 [0,1,0,0,0,1|1,0,0]=3 975 B9R1.34 CC1=CC(Br)=CC(C)=N1 AK-35389 [0,1,0,0,0,1|0,0,1]=3 976 B9R1.34 CC1=CC(Br)=CC(N)=N1 AK-55088 [0,1,0,0,0,1|1,0,1]=4 977 B9R1.34 CC1=CC(Br)=CC(O)=N1 AK-55089 [0,1,0,0,0,1|1,0,1]=4 978 B9R1.34 CC1=CC(Br)=NC(Br)=C1 AK-36237 [0,1,0,0,0,1|2,0,0]=4 979 B9R1.34 CC1=CC(Br)=NC(Cl)=C1 AK-31301 [0,1,0,0,0,1|2,0,0]=4 980 B9R1.34 CC1=CC(Br)=NC(F)=C1 AK-53918 [0,1,0,0,0,1|2,0,0]=4 981 B9R1.34 CC1=CC(Br)=NC(N)=C1 AK-31300 [0,1,0,0,0,1|2,0,0]=4 982 B9R1.34 CC1=CC(C)=NC(Br)=N1 AK-63680 [0,1,0,0,0,1|1,0,1]=4 983 B9R1.34 CC1=CC(C)=NC(Cl)=N1 AK-27678 [0,1,0,0,0,1|1,0,1]=4 984 B9R1.34 CC1=CC(C)=NC(N)=N1 AK-26993 [0,1,0,0,0,1|1,0,1]=4 985 B9R1.34 CC1=CC(C=C(C)N1)=O AK-25391 [0,1,0,0,0,1|0,0,0]=2 986 B9R1.34 CC1=CC(Cl)=CC(Br)=C1 AK-54890 [0,1,0,0,0,1|2,0,0]=4 987 B9R1.34 CC1=CC(Cl)=CC(C)=N1 AK-26952 [0,1,0,0,0,1|0,0,1]=3 988 B9R1.34 CC1=CC(Cl)=CC(Cl)=C1 AK-73039 [0,1,0,0,0,1|2,0,0]=4 989 B9R1.34 CC1=CC(Cl)=CC(Cl)=N1 AK-54975 [0,1,0,0,0,1|1,0,1]=4 990 B9R1.34 CC1=CC(Cl)=CC(N)=N1 AK-29225 [0,1,0,0,0,1|1,0,1]=4 991 B9R1.34 CC1=CC(Cl)=NC(Cl)=C1 AK-47395 [0,1,0,0,0,1|2,0,0]=4 992 B9R1.34 CC1=CC(Cl)=NC(Cl)=N1 AK-27689 [0,1,0,0,0,1|1,0,1]=4 993 B9R1.34 CC1=CC(F)=CC(F)=N1 AK100315 [0,1,0,0,0,1|1,0,1]=4 994 B9R1.34 CC1=CC(I)=CC(C)=C1 AK-44907 [0,1,0,0,0,1|1,0,0]=3 995 B9R1.34 CC1=CC(N)=CC(Cl)=N1 AK-40958 [0,1,0,0,0,1|1,0,1]=4 996 B9R1.34 CC1=CC(N)=NC(N)=N1 AK-41374 [0,1,0,0,0,1|1,0,1]=4 997 B9R1.34 CC1=CC(NC(N1)=O)=O AK-30067 [0,1,0,0,0,1|1,0,0]=3 998 B9R1.34 CC1=CC(O)=CC(Cl)=C1 AK-35739 [0,1,0,0,0,1|2,0,0]=4 999 B9R1.34 CC1=CC(O)=CC(F)=C1 AK-37425 [0,1,0,0,0,1|2,0,0]=4 1000 B9R1.34 CC1=CC(O)=NC(C)=C1 AK-63436 [0,1,0,0,0,1|1,0,0]=3 1001 B9R1.34 CC1=NC(=CC(N1)=O)O AK-46279 [0,1,0,0,0,1|1,0,0]=3 1002 B9R1.34 CC1=NC(=O)NC(=C1)C AK-28729 [0,1,0,0,0,1|1,0,0]=3 1003 B9R1.34 CC1=NC(=S)NC(=C1)C AK-46763 [0,1,0,0,0,1|1,0,0]=3 1004 B9R1.34 CC1=NC(C)=NC(N)=C1 AK-29268 [0,1,0,0,0,1|0,0,1]=3 1005 B9R1.34 CC1=NC(C)=NC(O)=C1 AK-54988 [0,1,0,0,0,1|0,0,1]=3 1006 B9R1.34 ClC1=CC(Cl)=CC(=O)N1 AK110224 [0,1,0,0,0,1|2,0,0]=4 1007 B9R1.34 ClC1=NC(=CC(=C1)C)C AK-46768 [0,1,0,0,0,1|1,0,0]=3 1008 B9R1.34 ClC1=NC(=NC(=C1)C)C AK-21842 [0,1,0,0,0,1|0,0,1]=3 1009 B9R1.34 FC1=CC(=CC(=C1)N)C AK-35464 [0,1,0,0,0,1|2,0,0]=4 1010 B9R1.34 IC1=NC(=NC(=C1)I)C AK-24804 [0,1,0,0,0,1|1,0,1]=4 1011 B9R1.34 NC1=CC(C)=CC(Cl)=C1 AK-39878 [0,1,0,0,0,1|2,0,0]=4 1012 B9R1.34 NC1=CC(C)=NC(C)=C1 AK-34805 [0,1,0,0,0,1|0,0,1]=3 1013 B9R1.34 NC1=NC(=CC(=N1)Br)C AK-24969 [0,1,0,0,0,1|1,0,1]=4 1014 B9R1.34 NC1=NC(=NC(=C1)Br)C AK-28349 [0,1,0,0,0,1|1,0,1]=4 1015 B9R1.34 NC1=NC(=NC(=C1)I)C AK-24805 [0,1,0,0,0,1|1,0,1]=4 1016 B9R1.34 NC1=NC(Cl)=CC(C)=C1 AK-31299 [0,1,0,0,0,1|2,0,0]=4 1017 B9R1.34 NC1=NC(N)=CC(C)=C1 AK-51292 [0,1,0,0,0,1|2,0,0]=4 1018 B9R1.34 O=C1C=C(N)C=C(F)N1 AK198831 [0,1,0,0,0,1|2,0,0]=4 1019 B9R1.34 O=C1C=C(N)NC(N1)=S AK-30278 [0,1,0,0,0,1|2,0,0]=4 1020 B9R1.34 O=C1C=C(O)C=C(C)N1 AK-77080 [0,1,0,0,0,1|1,0,0]=3 1021 B9R1.34 O=C1C=C(O)C=C(C)O1 AK-44057 [0,1,0,0,0,1|2,0,0]=4 1022 B9R1.34 O=C1N=C(Cl)C=C(Cl)N1 AK127043 [0,1,0,0,0,1|2,0,0]=4 1023 B9R1.34 O=C1N=C(NC(=C1)Cl)N AK-37272 [0,1,0,0,0,1|2,0,0]=4 1024 B9R1.34 O=C1NC(=S)NC(=C1)N AK-28451 [0,1,0,0,0,1|2,0,0]=4 1025 B9R1.34 O=C1NC(C=C(N)N1)=O AK-36641 [0,1,0,0,0,1|2,0,0]=4 1026 B9R1.34 O=C1NC(C=C(N1)Cl)=O AK-47521 [0,1,0,0,0,1|2,0,0]=4 1027 B9R1.34 O=C1NC(C=C(N1)I)=O AK-51762 [0,1,0,0,0,1|2,0,0]=4 1028 B9R1.34 O=C1NC(Cl)=NC(N)=C1 AK-35474 [0,1,0,0,0,1|2,0,0]=4 1029 B9R1.34 O=C1NC(N)=NC(O)=C1 AK-29401 [0,1,0,0,0,1|2,0,0]=4 1030 B9R1.34 OC1=CC(C)=CC(N)=C1 AK-36326 [0,1,0,0,0,1|2,0,0]=4 1031 B9R1.34 OC1=CC(C)=CC(O)=C1 AK-40748 [0,1,0,0,0,1|2,0,0]=4 1032 B9R1.34 OC1=CC(Cl)=NC(C)=C1 AK150752 [0,1,0,0,0,1|1,0,1]=4 1033 B9R1.7 CC1=CC=C(CCO)O1 AK684573 [0,2,0,0,0,0|1,0,0]=3 1034 B9R1.7 CCCC1=CC=C(Br)S1 AK-89997 [0,2,0,0,0,0|2,0,0]=4 1035 B9R1.21 BrCC1=CC=C(S1)C#N AK-58208 [0,2,0,0,0,0|1,0,1]=4 1036 B9R1.21 C1=C(OC(=C1)C=O)CO AK-26249 [0,2,0,0,0,0|1,0,1]=4 1037 B9R1.21 COC1=CC=C(OC)S1 AK160909 [0,2,0,0,0,0|1,0,0]=3 1038 B9R1.21 O=CC1=CC=C(SC)S1 AK114412 [0,2,0,0,0,0|1,0,1]=4 1039 B9R1.21 OCC1=CC=C(CO)O1 AK-68226 [0,2,0,0,0,0|1,0,0]=3 1040 B9R1.22 CC1=NC(Br)=C(CBr)S1 AK165890 [0,2,0,0,0,0|2,0,0]=4 1041 B9R1.22 CC1=NN(C)C(CCl)=C1 AK-48543 [0,2,0,0,0,0|1,0,1]=4 1042 B9R1.22 C[N]1C=C(C(=N1)C)C=O AK-39816 [0,2,0,0,0,0|1,0,1]=4 1043 B9R1.22 O=CC1=C(C)C=C(C)N1 AK-34150 [0,2,0,0,0,0|0,0,1]=3 1044 B9R1.22 O=CC1=C(C)SC(C)=C1 AK142164 [0,2,0,0,0,0|1,0,0]=3 1045 B9R1.22 O=CC1=CC(C)=NN1C AK-29932 [0,2,0,0,0,0|1,0,1]=4 1046 B9R1.22 OCC1=C(C)N=C(C)S1 AK-32145 [0,2,0,0,0,0|1,0,1]=4 1047 B9R1.22 OCC1=CC(C)=NN1C AK112704 [0,2,0,0,0,0|1,0,1]=4 1048 B9R1.23 NC1=CN(CC)N=C1C AK488098 [0,2,0,0,0,0|1,0,1]=4 1049 B9R1.23 NCC1=NN(C)C(C)=C1 AK-85664 [0,2,0,0,0,0|1,0,1]=4 1050 B9R1.23 OCC1=NN(C)C(C)=C1 AK-51125 [0,2,0,0,0,0|1,0,1]=4 1051 B9R1.35 C1=C(OC(=C1)C)C(O)=O AK-44799 [0,2,0,0,0,0|1,0,1]=4 1052 B9R1.35 C1=C(SC(=C1)C)C(=O)C AK-33183 [0,2,0,0,0,0|1,0,0]=3 1053 B9R1.35 C1=C(SC(=C1)Cl)C(C)=O AK-47623 [0,2,0,0,0,0|2,0,0]=4 1054 B9R1.35 CC(=O)C1=CC=C(C)O1 AK-77189 [0,2,0,0,0,0|1,0,0]=3 1055 B9R1.35 CC(=O)C1=NC(C)=CO1 AK-80747 [0,2,0,0,0,0|1,0,1]=4 1056 B9R1.35 CC1=CC=C(B(O)O)S1 AK-33560 [0,2,0,0,0,0|2,0,0]=4 1057 B9R1.35 CC1=CC=C(N1)C(O)=O AK100045 [0,2,0,0,0,0|0,0,1]=3 1058 B9R1.35 CC1=CSC(C(C)C)=N1 AK114355 [0,2,0,0,0,0|1,0,1]=4 1059 B9R1.35 O=C(C1=CC=C(C)S1)O AK-25546 [0,2,0,0,0,0|1,0,1]=4 1060 B9R1.35 O=C1NN(C(C)=O)C=C1 AK676222 [0,2,0,0,0,0|2,0,0]=4 1061 B9R1.35 OC(=O)C1=CC=C(Br)N1 AK100216 [0,2,0,0,0,0|1,0,1]=4 1062 B9R1.37 BrC1=C(Br)C(=O)NC1=O AK-32858 [0,2,0,0,0,0|2,0,0]=4 1063 B9R1.37 CC1=C(N)C(C)=NN1C AK-32196 [0,2,0,0,0,0|1,0,1]=4 1064 B9R1.37 CN1N=C(C)C(Br)=C1C AK-27790 [0,2,0,0,0,0|1,0,1]=4 1065 B9R1.37 O=C1C(C)OC(C)=C1O AK109077 [0,2,0,0,0,0|1,0,1]=4 1066 B7R1.3 CC1=NC=NC=C1 AK-34763 [0,0,1,1,0,0|1,0,1]=4 1067 B7R1.3 O=C1NC=NC=C1 Ak-75843 [0,0,1,1,0,0|2,0,0]=4 1068 B7R1.3 O=C1NCCC=C1 AK110027 [0,0,1,1,0,0|1,0,1]=4 1069 B9R2.39 C12C=CC(C(N1)=O)C2 AK-29304 [0,0,0,1,0,1|1,0,1]=4 1070 B9R2.39 [C@@H]12C[C@@H](NC1=O)C=C2 AK-26899 [0,0,0,1,0,1|1,0,1]=4