0 B7R1.3 BrC1=NC=CN=C1 P37390 [0,0,0,0,0,0|4,0,0]=4 1 B7R1.3 BrC1=NN=CC=C1 P44437 [0,0,0,0,0,0|4,0,0]=4 2 B7R1.3 CC1=CC=CN=N1 G-5190 [0,0,0,0,0,0|4,0,0]=4 3 B7R1.3 CC1=CN=CN=C1 O30773 [0,0,0,0,0,0|4,0,0]=4 4 B7R1.3 CC1=CN=NC=C1 G-5111 [0,0,0,0,0,0|2,0,0]=2 5 B7R1.3 CC1=NC=CC=N1 Q60049 [0,0,0,0,0,0|4,0,0]=4 6 B7R1.3 CC1=NC=NC=C1 G-5230 [0,0,0,0,0,0|2,0,0]=2 7 B7R1.3 ClC1=CC=NC=N1 C-2370 [0,0,0,0,0,0|2,0,0]=2 8 B7R1.3 ClC1=NN=CC=C1 C-2294 [0,0,0,0,0,0|4,0,0]=4 9 B7R1.3 FC1=NC=CC=N1 O30628 [0,0,0,0,0,0|4,0,0]=4 10 B7R1.3 IC1=CC=NN=C1 H-8636 [0,0,0,0,0,0|2,0,0]=2 11 B7R1.3 IC1=NC=CC=N1 O34244 [0,0,0,0,0,0|4,0,0]=4 12 B7R1.3 NC1=CC=CN=N1 C-3290 [0,0,0,0,0,0|3,0,0]=3 13 B7R1.3 NC1=CC=NN=C1 C-3725 [0,0,0,0,0,0|1,0,0]=1 14 B7R1.3 NC1=CN=NC=C1 L13627 [0,0,0,0,0,0|1,0,0]=1 15 B7R1.3 O=C1C=CC=NN1 C-2425 [0,0,0,0,0,0|4,0,0]=4 16 B7R1.3 O=C1C=CCCN1 O34600 [0,0,0,0,0,0|3,0,1]=4 17 B7R1.3 O=C1C=CCOC1 L22520 [0,0,0,0,0,0|3,0,1]=4 18 B7R1.3 O=C1C=CN=CN1 C-2283 [0,0,0,0,0,0|2,0,0]=2 19 B7R1.3 O=C1C=COCC1 Q54629 [0,0,0,0,0,0|2,0,2]=4 20 B7R1.3 OC1=CC=NN=C1 H-8637 [0,0,0,0,0,0|2,0,0]=2 21 B7R1.3 OC1=CN=CN=C1 I-9410 [0,0,0,0,0,0|4,0,0]=4 22 B7R1.3 OC1=CN=CN=C1 N25469 [0,0,0,0,0,0|4,0,0]=4 23 B7R1.3 SC1=CC=CN=C1 Q62383 [0,0,0,0,0,0|3,0,0]=3 24 B7R1.3 SC1=CN=CN=C1 Q65324 [0,0,0,0,0,0|4,0,0]=4 25 B7R1.3 [O-][N+]1=CC=NC=C1 A-838 [0,0,0,0,0,0|2,0,0]=2 26 B8R1.2 BrCC1=CC=CN=C1 P36550 [0,1,0,0,0,0|3,0,0]=4 27 B8R1.2 BrCC1=NC=NC=C1 P51553 [0,1,0,0,0,0|2,0,0]=3 28 B8R1.2 C#CC1=CC=NC=C1 G-7546 [0,1,0,0,0,0|1,0,0]=2 29 B8R1.2 C#CC1=CC=NC=C1 L13525 [0,1,0,0,0,0|1,0,0]=2 30 B8R1.2 C(=O)C1=CC=NN=C1 C-2212 [0,1,0,0,0,0|2,0,0]=3 31 B8R1.2 C=CC1=CC=CN=C1 O30687 [0,1,0,0,0,0|3,0,0]=4 32 B8R1.2 CNC1=CC=NC=N1 Q58573 [0,1,0,0,0,0|1,0,0]=2 33 B8R1.2 CNC1=CN=CN=C1 L13923 [0,1,0,0,0,0|3,0,0]=4 34 B8R1.2 CNC1=NN=CC=C1 O29994 [0,1,0,0,0,0|3,0,0]=4 35 B8R1.2 ICC1=CC=CC=C1 P37031 [0,1,0,0,0,0|2,0,0]=3 36 B8R1.2 N#CC1=CC=NC=C1 Q58209 [0,1,0,0,0,0|0,0,1]=2 37 B8R1.2 N#CC1=CC=NN=C1 G-7534 [0,1,0,0,0,0|1,0,1]=3 38 B8R1.2 NCC1=CC=CN=N1 L21914 [0,1,0,0,0,0|3,0,0]=4 39 B8R1.2 NCC1=CC=NC=C1 O30621 [0,1,0,0,0,0|0,0,0]=1 40 B8R1.2 NCC1=CC=NC=N1 C-2474 [0,1,0,0,0,0|1,0,0]=2 41 B8R1.2 NCC1=CC=NC=N1 L13752 [0,1,0,0,0,0|1,0,0]=2 42 B8R1.2 NCC1=CC=NN=C1 C-3221 [0,1,0,0,0,0|1,0,0]=2 43 B8R1.2 NCC1=CC=NN=C1 C-3221-01 [0,1,0,0,0,0|1,0,0]=2 44 B8R1.2 NCC1=CN=CN=C1 C-3222 [0,1,0,0,0,0|3,0,0]=4 45 B8R1.2 NCC1=CN=CN=C1 L14043 [0,1,0,0,0,0|3,0,0]=4 46 B8R1.2 NCC1=NC=CC=N1 C-3224 [0,1,0,0,0,0|3,0,0]=4 47 B8R1.2 NCC1=NC=CC=N1 C-3224-1 [0,1,0,0,0,0|3,0,0]=4 48 B8R1.2 NCC1=NC=CN=C1 C-3223 [0,1,0,0,0,0|3,0,0]=4 49 B8R1.2 NCC1=NN=CC=C1 C-2473 [0,1,0,0,0,0|3,0,0]=4 50 B8R1.2 NNC1=CC=CN=C1 C-3227 [0,1,0,0,0,0|2,0,0]=3 51 B8R1.2 NNC1=CC=NC=C1 C-3226 [0,1,0,0,0,0|0,0,0]=1 52 B8R1.2 NNC1=CC=NC=C1 L19135 [0,1,0,0,0,0|0,0,0]=1 53 B8R1.2 NNC1=CC=NC=C1 O31964 [0,1,0,0,0,0|0,0,0]=1 54 B8R1.2 NNC1=CN=CN=C1 Q56320 [0,1,0,0,0,0|3,0,0]=4 55 B8R1.2 NNC1=NC=CN=C1 C-2269 [0,1,0,0,0,0|3,0,0]=4 56 B8R1.2 NNC1=NC=NC=C1 O34192 [0,1,0,0,0,0|1,0,0]=2 57 B8R1.2 NNC1=NN=CC=C1 O30576 [0,1,0,0,0,0|3,0,0]=4 58 B8R1.2 OCC1=CC=NC=N1 C-2228 [0,1,0,0,0,0|2,0,0]=3 59 B8R1.2 OCC1=CC=NN=C1 C-2213 [0,1,0,0,0,0|2,0,0]=3 60 B8R1.3 BrC1=CN=C(I)C=C1 G-5933 [0,1,0,0,0,0|3,0,0]=4 61 B8R1.3 CC1=CC=C(F)C=N1 P38896 [0,1,0,0,0,0|3,0,0]=4 62 B8R1.3 CC1=CN=C(I)C=C1 O29967 [0,1,0,0,0,0|3,0,0]=4 63 B8R1.3 CC1=CN=C(N)C=N1 P37475 [0,1,0,0,0,0|3,0,0]=4 64 B8R1.3 CC1=NC=C(N)C=N1 G-6756 [0,1,0,0,0,0|3,0,0]=4 65 B8R1.3 CC1=NN=C(N)C=C1 C-2322 [0,1,0,0,0,0|3,0,0]=4 66 B8R1.3 ClC1=CN=C(I)C=C1 P50959 [0,1,0,0,0,0|3,0,0]=4 67 B8R1.3 ClC1=NC=C(I)C=C1 E-3038 [0,1,0,0,0,0|3,0,0]=4 68 B8R1.3 FC1=CC=C(Br)N=C1 E-3090 [0,1,0,0,0,0|3,0,0]=4 69 B8R1.3 NC1=CC=C(Br)N=N1 C-2292 [0,1,0,0,0,0|3,0,0]=4 70 B8R1.3 NC1=CC=C(O)C=N1 E-3088 [0,1,0,0,0,0|2,0,0]=3 71 B8R1.3 NC1=CN=C(Cl)N=C1 G-7543 [0,1,0,0,0,0|3,0,0]=4 72 B8R1.3 NC1=CN=C(O)N=C1 F-4368 [0,1,0,0,0,0|3,0,0]=4 73 B8R1.3 NC1=NC=C(Br)C=C1 G-5636 [0,1,0,0,0,0|2,0,0]=3 74 B8R1.3 NC1=NC=C(Br)C=N1 C-2774 [0,1,0,0,0,0|3,0,0]=4 75 B8R1.3 NC1=NC=C(Br)N=C1 G-5398 [0,1,0,0,0,0|3,0,0]=4 76 B8R1.3 NC1=NC=C(Cl)N=C1 C-3472 [0,1,0,0,0,0|3,0,0]=4 77 B8R1.3 NC1=NC=C(F)C=N1 O32924 [0,1,0,0,0,0|3,0,0]=4 78 B8R1.3 NC1=NC=C(O)C=N1 G-5678 [0,1,0,0,0,0|3,0,0]=4 79 B8R1.3 NC1=NN=C(Cl)C=C1 A-532 [0,1,0,0,0,0|3,0,0]=4 80 B8R1.3 NC1=NN=C(F)C=C1 O29638 [0,1,0,0,0,0|3,0,0]=4 81 B8R1.3 NC1=NN=C(I)C=C1 C-3343 [0,1,0,0,0,0|3,0,0]=4 82 B8R1.3 NC1=NNC(=O)C=C1 M15194 [0,1,0,0,0,0|3,0,0]=4 83 B8R1.3 O=C1C=CC(Cl)=CN1 F-4339 [0,1,0,0,0,0|3,0,0]=4 84 B8R1.3 OC1=CC=C(Br)N=C1 C-3384 [0,1,0,0,0,0|3,0,0]=4 85 B8R1.3 OC1=CN=C(Cl)C=C1 G-5339 [0,1,0,0,0,0|3,0,0]=4 86 B8R1.3 [O-][N+]1=CC=C(Br)C=C1 M22901 [0,1,0,0,0,0|1,0,1]=3 87 B8R1.3 [O-][N+]1=CC=C(F)C=C1 G-5918 [0,1,0,0,0,0|1,0,1]=3 88 B8R1.4 BrC1=CC(Br)=NC=C1 G-5938 [0,1,0,0,0,0|1,0,0]=2 89 B8R1.4 BrC1=CC(Br)=NC=N1 G-5117 [0,1,0,0,0,0|2,0,0]=3 90 B8R1.4 BrC1=CC(I)=CN=C1 Q66871 [0,1,0,0,0,0|3,0,0]=4 91 B8R1.4 BrC1=NC(I)=CC=C1 O31854 [0,1,0,0,0,0|3,0,0]=4 92 B8R1.4 BrC1=NC=CC(I)=C1 Q67803 [0,1,0,0,0,0|1,0,0]=2 93 B8R1.4 CC1=CC(=O)NN=C1 Q55625 [0,1,0,0,0,0|2,0,1]=4 94 B8R1.4 CC1=CC(C)=NC=N1 G-5958 [0,1,0,0,0,0|2,0,0]=3 95 B8R1.4 CC1=CC(Cl)=NN=C1 G-7302 [0,1,0,0,0,0|2,0,0]=3 96 B8R1.4 CC1=CC(N)=NN=C1 O30089 [0,1,0,0,0,0|2,0,0]=3 97 B8R1.4 CC1=CN=CC(Br)=C1 G-7029 [0,1,0,0,0,0|3,0,0]=4 98 B8R1.4 CC1=CN=CC(F)=C1 P38200 [0,1,0,0,0,0|3,0,0]=4 99 B8R1.4 CC1=CN=CC(N)=C1 S70885 [0,1,0,0,0,0|2,0,0]=3 100 B8R1.4 CC1=CN=CC(N)=N1 O31827 [0,1,0,0,0,0|3,0,0]=4 101 B8R1.4 CC1=CN=CC(O)=C1 O30725 [0,1,0,0,0,0|3,0,0]=4 102 B8R1.4 CC1=CN=NC(=O)C1 O30337 [0,1,0,0,0,0|2,0,1]=4 103 B8R1.4 CC1=NC(Cl)=NC=C1 G-7250 [0,1,0,0,0,0|2,0,0]=3 104 B8R1.4 CC1=NC=CC(Cl)=C1 E-3106 [0,1,0,0,0,0|1,0,0]=2 105 B8R1.4 CC1=NC=CC(Cl)=N1 I-9872 [0,1,0,0,0,0|2,0,0]=3 106 B8R1.4 CC1=NC=CC(N)=N1 O30572 [0,1,0,0,0,0|1,0,0]=2 107 B8R1.4 CC1=NC=CC(N)=N1 O30672 [0,1,0,0,0,0|1,0,0]=2 108 B8R1.4 CC1=NC=CC(O)=N1 P36692 [0,1,0,0,0,0|2,0,0]=3 109 B8R1.4 CC1=NC=NC(Cl)=C1 I-9018 [0,1,0,0,0,0|2,0,0]=3 110 B8R1.4 ClC1=CC(Cl)=NC=N1 P49439 [0,1,0,0,0,0|2,0,0]=3 111 B8R1.4 ClC1=CC(Cl)=NN=C1 Q56869 [0,1,0,0,0,0|2,0,0]=3 112 B8R1.4 ClC1=CC=CC(I)=N1 N25427 [0,1,0,0,0,0|3,0,0]=4 113 B8R1.4 ClC1=CC=NC(Br)=C1 B-1204 [0,1,0,0,0,0|1,0,0]=2 114 B8R1.4 ClC1=CC=NC(Br)=N1 L14646 [0,1,0,0,0,0|2,0,0]=3 115 B8R1.4 ClC1=NC=CC(Br)=N1 O30345 [0,1,0,0,0,0|2,0,0]=3 116 B8R1.4 ClC1=NC=NC(Cl)=N1 G-7594 [0,1,0,0,0,0|3,0,0]=4 117 B8R1.4 ClC1=NN=CC(Br)=C1 L21878 [0,1,0,0,0,0|2,0,0]=3 118 B8R1.4 FC1=CC(I)=CN=C1 O30723 [0,1,0,0,0,0|3,0,0]=4 119 B8R1.4 FC1=NC(Cl)=NC=C1 Q65337 [0,1,0,0,0,0|2,0,0]=3 120 B8R1.4 FC1=NC=CC(Cl)=N1 Q55811 [0,1,0,0,0,0|2,0,0]=3 121 B8R1.4 FC1=NC=CC(I)=C1 E-3003 [0,1,0,0,0,0|1,0,0]=2 122 B8R1.4 IC1=CC(I)=NC=C1 N24711 [0,1,0,0,0,0|1,0,0]=2 123 B8R1.4 IC1=CN=CC(I)=C1 G-5882 [0,1,0,0,0,0|3,0,0]=4 124 B8R1.4 NC1=CC(=O)COC1 O33523 [0,1,0,0,0,0|2,0,1]=4 125 B8R1.4 NC1=CC(=O)NC=C1 C-3231 [0,1,0,0,0,0|0,0,1]=2 126 B8R1.4 NC1=CC(=O)NN=C1 L13106 [0,1,0,0,0,0|1,0,1]=3 127 B8R1.4 NC1=CC(Br)=CC=N1 B-1202 [0,1,0,0,0,0|1,0,0]=2 128 B8R1.4 NC1=CC(Br)=NN=C1 O32375 [0,1,0,0,0,0|1,0,0]=2 129 B8R1.4 NC1=CC(Cl)=NC=C1 G-5361 [0,1,0,0,0,0|0,0,0]=1 130 B8R1.4 NC1=CC(Cl)=NN=C1 L14054 [0,1,0,0,0,0|1,0,0]=2 131 B8R1.4 NC1=CC(F)=NC=C1 G-7585 [0,1,0,0,0,0|0,0,0]=1 132 B8R1.4 NC1=CC(F)=NC=N1 Q58616 [0,1,0,0,0,0|1,0,0]=2 133 B8R1.4 NC1=CC=NC(N)=N1 Q54676 [0,1,0,0,0,0|1,0,0]=2 134 B8R1.4 NC1=NC(Cl)=CC=C1 G-5936 [0,1,0,0,0,0|2,0,0]=3 135 B8R1.4 NC1=NC(Cl)=CN=C1 I-9229 [0,1,0,0,0,0|3,0,0]=4 136 B8R1.4 NC1=NC(F)=NC=C1 L18384 [0,1,0,0,0,0|1,0,0]=2 137 B8R1.4 NC1=NC(O)=CC=C1 Q68106 [0,1,0,0,0,0|2,0,0]=3 138 B8R1.4 NC1=NC=CC(Br)=N1 C-2371 [0,1,0,0,0,0|2,0,0]=3 139 B8R1.4 NC1=NC=CC(F)=C1 A-621 [0,1,0,0,0,0|1,0,0]=2 140 B8R1.4 NC1=NC=CC(F)=N1 L14581 [0,1,0,0,0,0|2,0,0]=3 141 B8R1.4 NC1=NC=CC(I)=C1 G-6400 [0,1,0,0,0,0|1,0,0]=2 142 B8R1.4 NC1=NC=CC(I)=N1 Q52149 [0,1,0,0,0,0|2,0,0]=3 143 B8R1.4 NC1=NC=CC(O)=C1 E-3010 [0,1,0,0,0,0|1,0,0]=2 144 B8R1.4 NC1=NN=CC(Cl)=C1 G-6872 [0,1,0,0,0,0|2,0,0]=3 145 B8R1.4 O=C1C=C(Br)C=CN1 G-7401 [0,1,0,0,0,0|1,0,1]=3 146 B8R1.4 O=C1C=C(I)C=NN1 P44522 [0,1,0,0,0,0|2,0,1]=4 147 B8R1.4 O=C1C=CC=C(F)N1 F-4400 [0,1,0,0,0,0|3,0,0]=4 148 B8R1.4 O=C1C=CC=C(I)N1 Q69521 [0,1,0,0,0,0|3,0,0]=4 149 B8R1.4 O=C1C=CNC(Br)=C1 Q52479 [0,1,0,0,0,0|1,0,1]=3 150 B8R1.4 OC1=CC(F)=NC=C1 E-3009 [0,1,0,0,0,0|1,0,0]=2 151 B8R1.4 OC1=CC=NC(Cl)=N1 Q52516 [0,1,0,0,0,0|2,0,0]=3 152 B8R1.4 OC1=CN=CC(F)=C1 E-3008 [0,1,0,0,0,0|3,0,0]=4 153 B8R1.4 OC1=NC=CC(F)=C1 S72531 [0,1,0,0,0,0|1,0,0]=2 154 B8R1.4 SC1=CC(Br)=CN=C1 Q62298 [0,1,0,0,0,0|3,0,0]=4 155 B8R1.4 [O-][N+]1=CC=CC(Br)=C1 Q67309 [0,1,0,0,0,0|3,0,0]=4 156 B8R1.5 BrC1=C(I)C=CN=C1 E-3013 [0,1,0,0,0,0|1,0,0]=2 157 B8R1.5 BrC1=C(I)C=NC=C1 E-3014 [0,1,0,0,0,0|1,0,0]=2 158 B8R1.5 BrC1=CC=CN=C1I Q66410 [0,1,0,0,0,0|3,0,0]=4 159 B8R1.5 BrC1=NC=CC=C1I Q67426 [0,1,0,0,0,0|3,0,0]=4 160 B8R1.5 CC1=C(Br)C=CN=C1 G-7557 [0,1,0,0,0,0|1,0,0]=2 161 B8R1.5 CC1=C(Br)C=CN=C1 P43051 [0,1,0,0,0,0|1,0,0]=2 162 B8R1.5 CC1=C(Cl)C=CN=C1 P40666 [0,1,0,0,0,0|1,0,0]=2 163 B8R1.5 CC1=C(N)C=NC=N1 L13550 [0,1,0,0,0,0|2,0,0]=3 164 B8R1.5 CC1=C(N)N=CC=N1 Q56445 [0,1,0,0,0,0|3,0,0]=4 165 B8R1.5 CC1=C(O)C=CN=C1 E-3032 [0,1,0,0,0,0|1,0,0]=2 166 B8R1.5 CC1=CC=CN=C1C Q57216 [0,1,0,0,0,0|3,0,0]=4 167 B8R1.5 CC1=CC=NC=C1O E-3031 [0,1,0,0,0,0|1,0,0]=2 168 B8R1.5 CC1=CC=NN=C1Cl G-7959 [0,1,0,0,0,0|2,0,0]=3 169 B8R1.5 CC1=CC=NN=C1Cl L13799 [0,1,0,0,0,0|2,0,0]=3 170 B8R1.5 CC1=CC=NNC1=O G-6419 [0,1,0,0,0,0|2,0,0]=3 171 B8R1.5 CC1=CN=CN=C1C Q65323 [0,1,0,0,0,0|2,0,0]=3 172 B8R1.5 CC1=CN=CNC1=O L18637 [0,1,0,0,0,0|2,0,0]=3 173 B8R1.5 CC1=CN=NC=C1N Q57087 [0,1,0,0,0,0|1,0,0]=2 174 B8R1.5 CC1=NC=CC=C1Br G-6792 [0,1,0,0,0,0|3,0,0]=4 175 B8R1.5 CC1=NC=CC=C1O G-6807 [0,1,0,0,0,0|3,0,0]=4 176 B8R1.5 CC1=NC=NC=C1Br O30617 [0,1,0,0,0,0|2,0,0]=3 177 B8R1.5 ClC1=C(I)C=CN=C1 Q66429 [0,1,0,0,0,0|1,0,0]=2 178 B8R1.5 ClC1=C(I)C=NC=C1 P35342 [0,1,0,0,0,0|1,0,0]=2 179 B8R1.5 ClC1=CC=CN=C1I N24638 [0,1,0,0,0,0|3,0,0]=4 180 B8R1.5 ClC1=CC=NN=C1Cl I-9770 [0,1,0,0,0,0|2,0,0]=3 181 B8R1.5 ClC1=CN=CN=C1Cl 10589 [0,1,0,0,0,0|2,0,0]=3 182 B8R1.5 ClC1=NC=CC=C1I E-3058 [0,1,0,0,0,0|3,0,0]=4 183 B8R1.5 ClC1=NC=NC=C1Br C-2367 [0,1,0,0,0,0|2,0,0]=3 184 B8R1.5 ClC1=NC=NC=C1I A-843 [0,1,0,0,0,0|2,0,0]=3 185 B8R1.5 FC1=C(Br)C=CN=C1 G-5481 [0,1,0,0,0,0|1,0,0]=2 186 B8R1.5 FC1=C(Br)C=CN=C1 P44616 [0,1,0,0,0,0|1,0,0]=2 187 B8R1.5 FC1=C(Br)C=NC=C1 Q56864 [0,1,0,0,0,0|1,0,0]=2 188 B8R1.5 FC1=C(Cl)C=CN=C1 P39328 [0,1,0,0,0,0|1,0,0]=2 189 B8R1.5 FC1=C(F)C=NC=C1 Q62349 [0,1,0,0,0,0|1,0,0]=2 190 B8R1.5 FC1=CC=CN=C1I G-7663 [0,1,0,0,0,0|3,0,0]=4 191 B8R1.5 FC1=CN=CN=C1Cl O30832 [0,1,0,0,0,0|2,0,0]=3 192 B8R1.5 FC1=NC=CC=C1I E-3002 [0,1,0,0,0,0|3,0,0]=4 193 B8R1.5 IC1=CC=CN=C1I Q68051 [0,1,0,0,0,0|3,0,0]=4 194 B8R1.5 NC1=C(Br)C=NC=C1 E-3062 [0,1,0,0,0,0|0,0,0]=1 195 B8R1.5 NC1=C(Cl)C=NC=N1 10590 [0,1,0,0,0,0|1,0,0]=2 196 B8R1.5 NC1=C(Cl)N=NC=C1 Q53543 [0,1,0,0,0,0|1,0,0]=2 197 B8R1.5 NC1=C(F)C=NC=C1 C-3717 [0,1,0,0,0,0|0,0,0]=1 198 B8R1.5 NC1=C(I)C=CN=C1 E-3015 [0,1,0,0,0,0|1,0,0]=2 199 B8R1.5 NC1=C(I)C=NC=C1 E-3016 [0,1,0,0,0,0|0,0,0]=1 200 B8R1.5 NC1=C(O)C=NC=C1 O30556 [0,1,0,0,0,0|0,0,0]=1 201 B8R1.5 NC1=C(O)C=NC=C1 O31762 [0,1,0,0,0,0|0,0,0]=1 202 B8R1.5 NC1=C(S)C=CN=C1 Q52533 [0,1,0,0,0,0|1,0,0]=2 203 B8R1.5 NC1=C(S)C=NC=C1 I-9682 [0,1,0,0,0,0|0,0,0]=1 204 B8R1.5 NC1=C(S)C=NC=C1 Q52534 [0,1,0,0,0,0|0,0,0]=1 205 B8R1.5 NC1=CC=CN=C1F P40871 [0,1,0,0,0,0|2,0,0]=3 206 B8R1.5 NC1=CC=CN=C1O C-3656 [0,1,0,0,0,0|2,0,0]=3 207 B8R1.5 NC1=CC=CNC1=S M15558 [0,1,0,0,0,0|2,0,0]=3 208 B8R1.5 NC1=CN=CN=C1O O31022 [0,1,0,0,0,0|2,0,0]=3 209 B8R1.5 NC1=NC=CC=C1Br P43453 [0,1,0,0,0,0|2,0,0]=3 210 B8R1.5 NC1=NC=CC=C1F P39688 [0,1,0,0,0,0|2,0,0]=3 211 B8R1.5 NC1=NC=CC=C1I C-3672 [0,1,0,0,0,0|2,0,0]=3 212 B8R1.5 NC1=NC=CN=C1Br O33982 [0,1,0,0,0,0|3,0,0]=4 213 B8R1.5 NC1=NC=NC=C1I 10591 [0,1,0,0,0,0|1,0,0]=2 214 B8R1.5 O=C1C=COC=C1O L14061 [0,1,0,0,0,0|2,0,0]=3 215 B8R1.5 O=C1NC=NC=C1Br C-2366 [0,1,0,0,0,0|2,0,0]=3 216 B8R1.5 O=C1NN=CC=C1Cl G-7609 [0,1,0,0,0,0|2,0,0]=3 217 B8R1.5 O=C1OC=CC=C1O M15566 [0,1,0,0,0,0|3,0,0]=4 218 B8R1.5 OC1=C(Br)C=CN=C1 N24655 [0,1,0,0,0,0|1,0,0]=2 219 B8R1.5 OC1=C(Cl)C=CN=C1 N24314 [0,1,0,0,0,0|1,0,0]=2 220 B8R1.5 OC1=C(Cl)C=NC=C1 Q67665 [0,1,0,0,0,0|1,0,0]=2 221 B8R1.5 OC1=C(F)C=NC=C1 N24410 [0,1,0,0,0,0|1,0,0]=2 222 B8R1.5 OC1=C(I)C=CN=C1 N27325 [0,1,0,0,0,0|1,0,0]=2 223 B8R1.5 OC1=C(I)C=CN=C1 Q70033 [0,1,0,0,0,0|1,0,0]=2 224 B8R1.5 OC1=CC=CN=C1Br Q70032 [0,1,0,0,0,0|3,0,0]=4 225 B8R1.5 OC1=CC=CN=C1Cl I-9157 [0,1,0,0,0,0|3,0,0]=4 226 B8R1.5 OC1=CC=NC=C1I H-8691 [0,1,0,0,0,0|1,0,0]=2 227 B8R1.5 OC1=CC=NC=C1O 10601 [0,1,0,0,0,0|1,0,0]=2 228 B8R1.5 OC1=CN=CC=C1Br H-8866 [0,1,0,0,0,0|1,0,0]=2 229 B8R1.5 OC1=NC=NC=C1Cl 10588 [0,1,0,0,0,0|2,0,0]=3 230 B8R1.5 OC1=NC=NC=C1F P43226 [0,1,0,0,0,0|2,0,0]=3 231 B8R1.5 OC1=NC=NC=C1I O32500 [0,1,0,0,0,0|2,0,0]=3 232 B8R1.5 ON1C=CC=CC1=S Q62443 [0,1,0,0,0,0|3,0,0]=4 233 B8R2.34 C1=CC2C=CC1C2 P44656 [0,0,0,1,0,0|2,0,1]=4 234 B6R1.2 BrC1=CC=CO1 P37236 [0,0,0,0,1,0|2,0,0]=3 235 B6R1.2 BrC1=CC=NN1 G-7014 [0,0,0,0,1,0|2,0,0]=3 236 B6R1.2 BrC1=CN=CS1 P38940 [0,0,0,0,1,0|2,0,0]=3 237 B6R1.2 BrC1=CSN=C1 P51086 [0,0,0,0,1,0|2,0,0]=3 238 B6R1.2 BrC1=NC=CN1 P40717 [0,0,0,0,1,0|3,0,0]=4 239 B6R1.2 BrC1=NC=NS1 O33981 [0,0,0,0,1,0|3,0,0]=4 240 B6R1.2 BrC1=NN=CS1 G-7144 [0,0,0,0,1,0|3,0,0]=4 241 B6R1.2 BrC1=NSC=C1 O31504 [0,0,0,0,1,0|3,0,0]=4 242 B6R1.2 CC1=CNC=C1 L13609 [0,0,0,0,1,0|1,0,1]=3 243 B6R1.2 CC1=CNN=C1 M22981 [0,0,0,0,1,0|2,0,0]=3 244 B6R1.2 CC1=COC=C1 10706 [0,0,0,0,1,0|2,0,0]=3 245 B6R1.2 CC1=COC=N1 M15472 [0,0,0,0,1,0|3,0,0]=4 246 B6R1.2 CN1C=CC=N1 G-7493 [0,0,0,0,1,0|3,0,0]=4 247 B6R1.2 CN1C=CN=N1 O30707 [0,0,0,0,1,0|3,0,0]=4 248 B6R1.2 ClC1=CC=NN1 I-9279 [0,0,0,0,1,0|2,0,0]=3 249 B6R1.2 ClC1=CNC=N1 F-4664 [0,0,0,0,1,0|2,0,1]=4 250 B6R1.2 ClC1=CSC=N1 L13978 [0,0,0,0,1,0|3,0,0]=4 251 B6R1.2 ClC1=NC=CN1 O34261 [0,0,0,0,1,0|3,0,0]=4 252 B6R1.2 ClC1=NC=NS1 O33984 [0,0,0,0,1,0|3,0,0]=4 253 B6R1.2 ClC1=NSC=C1 K10869 [0,0,0,0,1,0|3,0,0]=4 254 B6R1.2 FC1=CC=NN1 L13110 [0,0,0,0,1,0|2,0,0]=3 255 B6R1.2 FC1=CN=CN1 L22294 [0,0,0,0,1,0|2,0,0]=3 256 B6R1.2 FC1=CNN=C1 H-8311 [0,0,0,0,1,0|2,0,0]=3 257 B6R1.2 IC1=CNC=N1 A-910 [0,0,0,0,1,0|2,0,1]=4 258 B6R1.2 IC1=CNN=C1 I-9182 [0,0,0,0,1,0|2,0,0]=3 259 B6R1.2 IC1=NC=CN1 P38939 [0,0,0,0,1,0|3,0,0]=4 260 B6R1.2 IC1=NC=CO1 G-7159 [0,0,0,0,1,0|3,0,0]=4 261 B6R1.2 IC1=NC=CS1 A-965 [0,0,0,0,1,0|3,0,0]=4 262 B6R1.2 IC1=NNC=C1 H-8099 [0,0,0,0,1,0|2,0,1]=4 263 B6R1.2 IN1C=CN=C1 O30042 [0,0,0,0,1,0|2,0,0]=3 264 B6R1.2 NC1=CC=NN1 A-809 [0,0,0,0,1,0|1,0,0]=2 265 B6R1.2 NC1=CN=CS1 O30332 [0,0,0,0,1,0|1,0,0]=2 266 B6R1.2 NC1=CN=CS1 P44438 [0,0,0,0,1,0|1,0,0]=2 267 B6R1.2 NC1=CNC=N1 O32717 [0,0,0,0,1,0|1,0,1]=3 268 B6R1.2 NC1=CNN=C1 L18482 [0,0,0,0,1,0|1,0,0]=2 269 B6R1.2 NC1=CNN=C1 Q51928 [0,0,0,0,1,0|1,0,0]=2 270 B6R1.2 NC1=CSN=C1 L22383 [0,0,0,0,1,0|1,0,0]=2 271 B6R1.2 NC1=NC=CN1 I-9868 [0,0,0,0,1,0|2,0,0]=3 272 B6R1.2 NC1=NC=CO1 E-3055 [0,0,0,0,1,0|2,0,0]=3 273 B6R1.2 NC1=NOC=C1 C-3347 [0,0,0,0,1,0|2,0,0]=3 274 B6R1.2 NC1CC=CC1 F-4367 [0,0,0,0,1,0|0,0,3]=4 275 B6R1.2 NC1CC=CC1 Q57040 [0,0,0,0,1,0|0,0,3]=4 276 B6R1.2 NN1C=CC=C1 G-5643 [0,0,0,0,1,0|1,0,0]=2 277 B6R1.2 NN1C=CN=N1 H-8057 [0,0,0,0,1,0|2,0,0]=3 278 B6R1.2 O=C1C=CSN1 K10928 [0,0,0,0,1,0|3,0,0]=4 279 B6R1.2 ON1C=CC=N1 Q54490 [0,0,0,0,1,0|3,0,0]=4 280 B6R1.2 S=C1NC=CO1 L19666 [0,0,0,0,1,0|3,0,0]=4 281 B6R1.2 S=C1NC=NN1 F-4888 [0,0,0,0,1,0|3,0,0]=4 282 B6R1.2 SC1=CSC=C1 O29467 [0,0,0,0,1,0|2,0,0]=3 283 B7R1.1 BrCC1=COC=C1 O29970 [0,1,0,0,1,0|2,0,0]=4 284 B7R1.1 BrCC1=CSC=C1 Q68601 [0,1,0,0,1,0|2,0,0]=4 285 B7R1.1 C#CC1=CN=CN1 O32116 [0,1,0,0,1,0|2,0,0]=4 286 B7R1.1 C#CC1=CNN=C1 I-9969 [0,1,0,0,1,0|2,0,0]=4 287 B7R1.1 C(=O)C1=CN=CS1 Q52103 [0,1,0,0,1,0|2,0,0]=4 288 B7R1.1 C=CC1=CN=CN1 O30402 [0,1,0,0,1,0|2,0,0]=4 289 B7R1.1 COC1=CNN=C1 L18281 [0,1,0,0,1,0|2,0,0]=4 290 B7R1.1 CSC1=CC=CS1 Q67758 [0,1,0,0,1,0|2,0,0]=4 291 B7R1.1 ClCC1=CC=CS1 G-5616 [0,1,0,0,1,0|2,0,0]=4 292 B7R1.1 ClCC1=CN=CS1 O30160 [0,1,0,0,1,0|2,0,0]=4 293 B7R1.1 ClCC1=CN=CS1 O31671 [0,1,0,0,1,0|2,0,0]=4 294 B7R1.1 FCC1=CNN=C1 Q63595 [0,1,0,0,1,0|2,0,0]=4 295 B7R1.1 N#CC1=CC=CN1 G-6648 [0,1,0,0,1,0|1,0,1]=4 296 B7R1.1 N#CC1=CNN=C1 G-6055 [0,1,0,0,1,0|1,0,1]=4 297 B7R1.1 N#CC1=CSN=C1 P51182 [0,1,0,0,1,0|1,0,1]=4 298 B7R1.1 NCC1=CC=NN1 O30495 [0,1,0,0,1,0|1,0,0]=3 299 B7R1.1 NCC1=CN=CN1 L14627 [0,1,0,0,1,0|1,0,0]=3 300 B7R1.1 NCC1=CN=CO1 L14202 [0,1,0,0,1,0|1,0,0]=3 301 B7R1.1 NCC1=CN=CS1 G-7859 [0,1,0,0,1,0|1,0,0]=3 302 B7R1.1 NCC1=CN=CS1 L18064 [0,1,0,0,1,0|1,0,0]=3 303 B7R1.1 NCC1=CN=CS1 O30515 [0,1,0,0,1,0|1,0,0]=3 304 B7R1.1 NCC1=CNC=N1 O30218 [0,1,0,0,1,0|1,0,1]=4 305 B7R1.1 NCC1=CNN=C1 G-6808 [0,1,0,0,1,0|1,0,0]=3 306 B7R1.1 NCC1=CNN=C1 L13681 [0,1,0,0,1,0|1,0,0]=3 307 B7R1.1 NCC1=CNN=C1 Q51915 [0,1,0,0,1,0|1,0,0]=3 308 B7R1.1 NCC1=COC=C1 O34052 [0,1,0,0,1,0|1,0,0]=3 309 B7R1.1 NCC1=COC=N1 G-6098 [0,1,0,0,1,0|2,0,0]=4 310 B7R1.1 NCC1=COC=N1 G-6099 [0,1,0,0,1,0|2,0,0]=4 311 B7R1.1 NCC1=CON=C1 L14503 [0,1,0,0,1,0|1,0,0]=3 312 B7R1.1 NCC1=CSC=N1 L14160 [0,1,0,0,1,0|2,0,0]=4 313 B7R1.1 NCC1=NC=CS1 G-7857 [0,1,0,0,1,0|2,0,0]=4 314 B7R1.1 NCC1=NC=CS1 G-7858 [0,1,0,0,1,0|2,0,0]=4 315 B7R1.1 NCC1=NN=CS1 I-9693 [0,1,0,0,1,0|2,0,0]=4 316 B7R1.1 NCC1=NOC=C1 G-6132 [0,1,0,0,1,0|2,0,0]=4 317 B7R1.1 NCC1=NOC=C1 L14199 [0,1,0,0,1,0|2,0,0]=4 318 B7R1.1 O=CC1=CN=CO1 I-9061 [0,1,0,0,1,0|2,0,0]=4 319 B7R1.1 O=CC1=CNN=C1 C-2878 [0,1,0,0,1,0|2,0,0]=4 320 B7R1.1 O=CC1=CNN=C1 G-5044 [0,1,0,0,1,0|2,0,0]=4 321 B7R1.1 OCC1=CN=CN1 O33324 [0,1,0,0,1,0|2,0,0]=4 322 B7R1.1 OCC1=CNN=C1 C-2849 [0,1,0,0,1,0|2,0,0]=4 323 B7R1.2 BrC1=CC(Br)=NN1 L21299 [0,1,0,0,1,0|2,0,0]=4 324 B7R1.2 BrC1=CC=C(I)S1 N24353 [0,1,0,0,1,0|2,0,0]=4 325 B7R1.2 BrC1=CN=C(I)N1 O33384 [0,1,0,0,1,0|2,0,0]=4 326 B7R1.2 BrC1=NC=C(I)S1 N25511 [0,1,0,0,1,0|2,0,0]=4 327 B7R1.2 CC1=CC(N)=NN1 G-7311 [0,1,0,0,1,0|1,0,1]=4 328 B7R1.2 CC1=CSC(N)=C1 G-5634 [0,1,0,0,1,0|1,0,0]=3 329 B7R1.2 CC1=NNC(Br)=C1 O34436 [0,1,0,0,1,0|2,0,0]=4 330 B7R1.2 CC1=NNC(Cl)=C1 G-5332 [0,1,0,0,1,0|2,0,0]=4 331 B7R1.2 CC1=NNC(O)=C1 I-9200 [0,1,0,0,1,0|2,0,0]=4 332 B7R1.2 CN1C=C(I)C=N1 A-966 [0,1,0,0,1,0|2,0,0]=4 333 B7R1.2 CN1C=C(N)C=N1 A-868 [0,1,0,0,1,0|1,0,0]=3 334 B7R1.2 CN1C=CC(Br)=C1 F-4804 [0,1,0,0,1,0|1,0,1]=4 335 B7R1.2 CN1C=CC(N)=N1 I-9167 [0,1,0,0,1,0|1,0,1]=4 336 B7R1.2 CN1C=NC(I)=C1 A-967 [0,1,0,0,1,0|2,0,0]=4 337 B7R1.2 ClC1=CN=C(Cl)S1 L14230 [0,1,0,0,1,0|2,0,0]=4 338 B7R1.2 ClC1=NC=C(Br)S1 O31645 [0,1,0,0,1,0|2,0,0]=4 339 B7R1.2 FC1=CN=C(Br)S1 L14516 [0,1,0,0,1,0|2,0,0]=4 340 B7R1.2 NC1=CC(=O)CC1 O29931 [0,1,0,0,1,0|0,0,2]=4 341 B7R1.2 NC1=CC(Br)=NN1 G-7773 [0,1,0,0,1,0|1,0,0]=3 342 B7R1.2 NC1=CC(Cl)=NN1 G-6962 [0,1,0,0,1,0|1,0,0]=3 343 B7R1.2 NC1=CC(N)=NN1 Q61563 [0,1,0,0,1,0|1,0,0]=3 344 B7R1.2 NC1=CSC(Br)=C1 L13953 [0,1,0,0,1,0|1,0,0]=3 345 B7R1.2 NC1=CSC(Br)=C1 O33601 [0,1,0,0,1,0|1,0,0]=3 346 B7R1.2 NC1=CSC(Cl)=C1 G-5064 [0,1,0,0,1,0|1,0,0]=3 347 B7R1.2 NC1=NC(Br)=CS1 L22349 [0,1,0,0,1,0|2,0,0]=4 348 B7R1.2 NC1=NC(O)=CS1 O29877 [0,1,0,0,1,0|2,0,0]=4 349 B7R1.2 NC1=NC=C(Cl)S1 G-6676 [0,1,0,0,1,0|2,0,0]=4 350 B7R1.2 NC1=NC=C(Cl)S1 Q69570 [0,1,0,0,1,0|2,0,0]=4 351 B7R1.2 NC1=NC=C(F)S1 G-6677 [0,1,0,0,1,0|2,0,0]=4 352 B7R1.2 NC1=NC=C(F)S1 L13771 [0,1,0,0,1,0|2,0,0]=4 353 B7R1.2 NC1=NN=C(Br)S1 A-907 [0,1,0,0,1,0|2,0,0]=4 354 B7R1.2 NC1=NNC(F)=C1 G-7052 [0,1,0,0,1,0|1,0,1]=4 355 B7R1.2 OC1=NSC(Cl)=C1 K10877 [0,1,0,0,1,0|2,0,0]=4 356 B7R1.4 BrC1=CNN=C1Br O29313 [0,1,0,0,1,0|2,0,0]=4 357 B7R1.4 BrC1=CSC=C1I N24538 [0,1,0,0,1,0|2,0,0]=4 358 B7R1.4 BrC1=NNC=C1I I-9103 [0,1,0,0,1,0|2,0,0]=4 359 B7R1.4 CC1=C(Br)C=CS1 Q67355 [0,1,0,0,1,0|2,0,0]=4 360 B7R1.4 CC1=C(Br)SC=N1 O31826 [0,1,0,0,1,0|2,0,0]=4 361 B7R1.4 CC1=C(C)NN=C1 Q55565 [0,1,0,0,1,0|2,0,0]=4 362 B7R1.4 CC1=C(Cl)NC=N1 Q54649 [0,1,0,0,1,0|2,0,0]=4 363 B7R1.4 CC1=C(N)NN=C1 F-4795 [0,1,0,0,1,0|1,0,0]=3 364 B7R1.4 CC1=C(N)SC=N1 O29410 [0,1,0,0,1,0|1,0,0]=3 365 B7R1.4 CC1=CNC=C1C C-3629 [0,1,0,0,1,0|1,0,1]=4 366 B7R1.4 CC1=CNN=C1Br G-5785 [0,1,0,0,1,0|2,0,0]=4 367 B7R1.4 CC1=CNN=C1Cl Q61499 [0,1,0,0,1,0|2,0,0]=4 368 B7R1.4 CC1=CSC=C1Br Q66876 [0,1,0,0,1,0|2,0,0]=4 369 B7R1.4 CC1=CSC=C1C Q70046 [0,1,0,0,1,0|2,0,0]=4 370 B7R1.4 CC1=CSC=C1N L14926 [0,1,0,0,1,0|1,0,0]=3 371 B7R1.4 CC1=NNC=C1Br I-9173 [0,1,0,0,1,0|2,0,0]=4 372 B7R1.4 CN1C=CN=C1Cl O31866 [0,1,0,0,1,0|2,0,0]=4 373 B7R1.4 CN1C=CN=C1I M22900 [0,1,0,0,1,0|2,0,0]=4 374 B7R1.4 CN1C=CN=C1N K13502 [0,1,0,0,1,0|2,0,0]=4 375 B7R1.4 CN1C=NC=C1I M15588 [0,1,0,0,1,0|2,0,0]=4 376 B7R1.4 CN1N=CC=C1Cl Q61745 [0,1,0,0,1,0|2,0,0]=4 377 B7R1.4 ClC1=C(Br)N=CN1 L20326 [0,1,0,0,1,0|2,0,0]=4 378 B7R1.4 ClC1=C(Br)NN=C1 P45851 [0,1,0,0,1,0|2,0,0]=4 379 B7R1.4 ClC1=C(I)SC=C1 Q53198 [0,1,0,0,1,0|2,0,0]=4 380 B7R1.4 FC1=CNC=C1F K10900 [0,1,0,0,1,0|1,0,1]=4 381 B7R1.4 FC1=CNN=C1Br P47761 [0,1,0,0,1,0|2,0,0]=4 382 B7R1.4 FC1=NNC=C1Br L14397 [0,1,0,0,1,0|2,0,0]=4 383 B7R1.4 NC1=C(Br)C=CS1 M15148 [0,1,0,0,1,0|1,0,0]=3 384 B7R1.4 NC1=C(Br)C=NN1 I-9196 [0,1,0,0,1,0|1,0,0]=3 385 B7R1.4 NC1=CNN=C1Cl P51503 [0,1,0,0,1,0|1,0,0]=3 386 B7R1.4 NC1=CNN=C1N C-2387 [0,1,0,0,1,0|1,0,0]=3 387 B7R1.4 NC1=CNN=C1N L13646 [0,1,0,0,1,0|1,0,0]=3 388 B7R1.4 NC1=CSC=C1Br L14406 [0,1,0,0,1,0|1,0,0]=3 389 B7R1.4 NC1=NOC=C1Cl K10958 [0,1,0,0,1,0|2,0,0]=4 390 B9R1.1 C#CC1=CC=C(Br)C=C1 P36174 [0,2,0,0,0,0|2,0,0]=4 391 B9R1.1 C#CC1=CC=C(Cl)C=C1 C-3288 [0,2,0,0,0,0|2,0,0]=4 392 B9R1.1 C#CC1=CC=C(I)C=C1 P36173 [0,2,0,0,0,0|2,0,0]=4 393 B9R1.1 C#CC1=CC=C(N)C=N1 Q53285 [0,2,0,0,0,0|2,0,0]=4 394 B9R1.1 CC1=CC=C(CN)C=N1 C-3518 [0,2,0,0,0,0|2,0,0]=4 395 B9R1.1 CCC1=CC=C(N)C=N1 A-656 [0,2,0,0,0,0|2,0,0]=4 396 B9R1.1 CNC1=CC=C(Br)N=C1 Q65482 [0,2,0,0,0,0|2,0,0]=4 397 B9R1.1 CNC1=CC=C(F)C=N1 Q58345 [0,2,0,0,0,0|2,0,0]=4 398 B9R1.1 CNC1=CC=C(I)C=C1 P37124 [0,2,0,0,0,0|1,0,0]=3 399 B9R1.1 CNC1=CC=C(N)C=C1 P37009 [0,2,0,0,0,0|1,0,0]=3 400 B9R1.1 CNC1=CC=C(N)N=C1 Q58290 [0,2,0,0,0,0|2,0,0]=4 401 B9R1.1 CNC1=CC=C(N)N=C1 Q58291 [0,2,0,0,0,0|2,0,0]=4 402 B9R1.1 CNC1=CC=C(O)C=C1 P41056 [0,2,0,0,0,0|1,0,0]=3 403 B9R1.1 CNC1=NC=C(Br)C=C1 P35851 [0,2,0,0,0,0|2,0,0]=4 404 B9R1.1 COC1=CN=C(N)C=C1 G-7588 [0,2,0,0,0,0|2,0,0]=4 405 B9R1.1 N#CC1=CC=C(N)C=N1 Q51916 [0,2,0,0,0,0|2,0,0]=4 406 B9R1.1 N#CC1=CC=C(S)C=C1 O30392 [0,2,0,0,0,0|1,0,1]=4 407 B9R1.1 NC1=CC=C(C=O)C=N1 L13611 [0,2,0,0,0,0|2,0,0]=4 408 B9R1.1 NC1=NC=C(CO)C=C1 E-3098 [0,2,0,0,0,0|2,0,0]=4 409 B9R1.1 NCC1=CC=C(I)C=C1 P38306 [0,2,0,0,0,0|1,0,0]=3 410 B9R1.1 NCC1=CC=C(O)C=N1 O29328 [0,2,0,0,0,0|2,0,0]=4 411 B9R1.1 NCC1=CC=C(O)C=N1 O31467 [0,2,0,0,0,0|2,0,0]=4 412 B9R1.1 NCC1=CN=C(Cl)C=C1 C-3459 [0,2,0,0,0,0|2,0,0]=4 413 B9R1.1 NCC1=CN=C(F)C=C1 L18071 [0,2,0,0,0,0|2,0,0]=4 414 B9R1.1 NCC1=CN=C(N)C=C1 Q62313 [0,2,0,0,0,0|2,0,0]=4 415 B9R1.1 NCC1=CNC(=O)C=C1 G-5535 [0,2,0,0,0,0|2,0,0]=4 416 B9R1.1 NCC1=NC=C(Br)C=C1 G-7736 [0,2,0,0,0,0|2,0,0]=4 417 B9R1.1 NCC1=NC=C(Br)C=C1 L14589 [0,2,0,0,0,0|2,0,0]=4 418 B9R1.1 NCC1=NC=C(Br)C=C1 O30462 [0,2,0,0,0,0|2,0,0]=4 419 B9R1.1 NCC1=NC=C(Cl)C=C1 O30447 [0,2,0,0,0,0|2,0,0]=4 420 B9R1.1 NCC1=NC=C(Cl)C=C1 O31783 [0,2,0,0,0,0|2,0,0]=4 421 B9R1.1 NCC1=NC=C(Cl)C=C1 P36637 [0,2,0,0,0,0|2,0,0]=4 422 B9R1.1 NCC1=NC=C(F)C=C1 P37408 [0,2,0,0,0,0|2,0,0]=4 423 B9R1.1 NNC1=CC=C(Br)C=C1 P38159 [0,2,0,0,0,0|1,0,0]=3 424 B9R1.1 NNC1=CC=C(F)C=C1 P38478 [0,2,0,0,0,0|1,0,0]=3 425 B9R1.1 NNC1=CC=C(F)N=C1 O32377 [0,2,0,0,0,0|2,0,0]=4 426 B9R1.1 NNC1=CN=C(F)C=C1 Q52569 [0,2,0,0,0,0|2,0,0]=4 427 B9R1.1 NNC1=NC=C(Cl)C=C1 Q67932 [0,2,0,0,0,0|2,0,0]=4 428 B9R1.1 OCC1=CC=C(S)C=C1 O32480 [0,2,0,0,0,0|2,0,0]=4 429 B9R1.2 C#CC1=CC(C)=NC=C1 O31561 [0,2,0,0,0,0|1,0,0]=3 430 B9R1.2 C#CC1=CC(F)=NC=C1 Q54978 [0,2,0,0,0,0|1,0,0]=3 431 B9R1.2 C#CC1=CC(N)=NC=C1 Q52477 [0,2,0,0,0,0|1,0,0]=3 432 B9R1.2 C#CC1=CC(O)=CC=C1 P42883 [0,2,0,0,0,0|2,0,0]=4 433 B9R1.2 C#CC1=CC=CC(Br)=C1 O27910 [0,2,0,0,0,0|2,0,0]=4 434 B9R1.2 C#CC1=CC=CC(C)=C1 P36176 [0,2,0,0,0,0|2,0,0]=4 435 B9R1.2 C#CC1=CC=CC(N)=N1 P40552 [0,2,0,0,0,0|2,0,0]=4 436 B9R1.2 C#CC1=CC=NC(N)=N1 C-3362 [0,2,0,0,0,0|2,0,0]=4 437 B9R1.2 C#CC1=CN=CC(N)=C1 P36736 [0,2,0,0,0,0|2,0,0]=4 438 B9R1.2 C#CC1=NC=CC(C)=C1 M22852 [0,2,0,0,0,0|1,0,0]=3 439 B9R1.2 C#CC1=NC=CC(N)=C1 Q65950 [0,2,0,0,0,0|0,0,0]=2 440 B9R1.2 C(=O)C1=CC=NC(Cl)=C1 C-3314 [0,2,0,0,0,0|1,0,0]=3 441 B9R1.2 C(=O)C1=CC=NC(Cl)=N1 Q56440 [0,2,0,0,0,0|2,0,0]=4 442 B9R1.2 CC1=CC(C#N)=NN=C1 L14466 [0,2,0,0,0,0|2,0,0]=4 443 B9R1.2 CC1=CC(C=O)=NC=C1 O31911 [0,2,0,0,0,0|1,0,0]=3 444 B9R1.2 CC1=CC(C=O)=NC=N1 Q60298 [0,2,0,0,0,0|2,0,0]=4 445 B9R1.2 CC1=CC(CCl)=NC=N1 Q58765 [0,2,0,0,0,0|2,0,0]=4 446 B9R1.2 CC1=CC(CN)=CC=N1 Q62498 [0,2,0,0,0,0|0,0,0]=2 447 B9R1.2 CC1=CC(CN)=NC=C1 O29857 [0,2,0,0,0,0|1,0,0]=3 448 B9R1.2 CC1=CC(CN)=NC=C1 O31684 [0,2,0,0,0,0|1,0,0]=3 449 B9R1.2 CC1=CC(CN)=NN=C1 L22164 [0,2,0,0,0,0|2,0,0]=4 450 B9R1.2 CC1=CC(NN)=NC=C1 O31163 [0,2,0,0,0,0|1,0,0]=3 451 B9R1.2 CC1=CC=CC(CN)=N1 P35737 [0,2,0,0,0,0|2,0,0]=4 452 B9R1.2 CC1=CC=CC(CN)=N1 P36768 [0,2,0,0,0,0|2,0,0]=4 453 B9R1.2 CC1=CC=NC(C=O)=N1 P44430 [0,2,0,0,0,0|2,0,0]=4 454 B9R1.2 CC1=CC=NC(CN)=N1 Q56400 [0,2,0,0,0,0|2,0,0]=4 455 B9R1.2 CC1=CN=NC(CO)=C1 Q56709 [0,2,0,0,0,0|2,0,0]=4 456 B9R1.2 CC1=NC(C#N)=NC=C1 P51429 [0,2,0,0,0,0|2,0,0]=4 457 B9R1.2 CC1=NC(CCl)=NC=C1 G-7251 [0,2,0,0,0,0|2,0,0]=4 458 B9R1.2 CC1=NC(CN)=NC=C1 L14171 [0,2,0,0,0,0|2,0,0]=4 459 B9R1.2 CC1=NC(CO)=NC=C1 G-7252 [0,2,0,0,0,0|2,0,0]=4 460 B9R1.2 CC1=NC=CC(C#N)=C1 H-8890 [0,2,0,0,0,0|0,0,1]=3 461 B9R1.2 CC1=NC=CC(C#N)=N1 Q58625 [0,2,0,0,0,0|1,0,1]=4 462 B9R1.2 CC1=NC=CC(CCl)=N1 Q58761 [0,2,0,0,0,0|2,0,0]=4 463 B9R1.2 CC1=NC=CC(CN)=C1 O31522 [0,2,0,0,0,0|0,0,0]=2 464 B9R1.2 CC1=NC=CC(CO)=C1 O30864 [0,2,0,0,0,0|1,0,0]=3 465 B9R1.2 CC1=NC=CC(CO)=N1 Q58594 [0,2,0,0,0,0|2,0,0]=4 466 B9R1.2 CC1=NC=CC(NN)=N1 Q54682 [0,2,0,0,0,0|1,0,0]=3 467 B9R1.2 CC1=NC=NC(CO)=C1 G-7256 [0,2,0,0,0,0|2,0,0]=4 468 B9R1.2 CCC1=CC(Br)=NC=C1 P45487 [0,2,0,0,0,0|1,0,0]=3 469 B9R1.2 CCC1=CC(Cl)=NC=N1 P51150 [0,2,0,0,0,0|2,0,0]=4 470 B9R1.2 CCC1=NC=CC(Cl)=N1 L18383 [0,2,0,0,0,0|2,0,0]=4 471 B9R1.2 CCC1=NC=CC(N)=C1 L18226 [0,2,0,0,0,0|0,0,0]=2 472 B9R1.2 CNC1=CC(Br)=CN=C1 P51196 [0,2,0,0,0,0|2,0,0]=4 473 B9R1.2 CNC1=CC(C)=CC=N1 Q58361 [0,2,0,0,0,0|1,0,0]=3 474 B9R1.2 CNC1=CC(C)=CC=N1 Q58362 [0,2,0,0,0,0|1,0,0]=3 475 B9R1.2 CNC1=CC(O)=CC=C1 P41161 [0,2,0,0,0,0|1,0,0]=3 476 B9R1.2 CNC1=CC=CC(F)=N1 Q58333 [0,2,0,0,0,0|2,0,0]=4 477 B9R1.2 CNC1=CC=CC(I)=C1 P37043 [0,2,0,0,0,0|1,0,0]=3 478 B9R1.2 CNC1=NC=CC(I)=C1 N26836 [0,2,0,0,0,0|1,0,0]=3 479 B9R1.2 COC1=CC(Cl)=NN=C1 G-7934 [0,2,0,0,0,0|2,0,0]=4 480 B9R1.2 COC1=CC(F)=NC=C1 Q67856 [0,2,0,0,0,0|1,0,0]=3 481 B9R1.2 COC1=CC(N)=CN=C1 Q56314 [0,2,0,0,0,0|2,0,0]=4 482 B9R1.2 COC1=CC=NC(=S)N1 H-8155 [0,2,0,0,0,0|2,0,0]=4 483 B9R1.2 COC1=CC=NC(Br)=N1 S86521 [0,2,0,0,0,0|2,0,0]=4 484 B9R1.2 COC1=CN=CC(N)=C1 G-6107 [0,2,0,0,0,0|2,0,0]=4 485 B9R1.2 COC1=NC(N)=CC=N1 C-2497 [0,2,0,0,0,0|1,0,0]=3 486 B9R1.2 COC1=NC=CC(Br)=C1 Q67517 [0,2,0,0,0,0|1,0,0]=3 487 B9R1.2 COC1=NC=CC(Br)=N1 I-9088 [0,2,0,0,0,0|2,0,0]=4 488 B9R1.2 COC1=NC=CC(Cl)=C1 Q68014 [0,2,0,0,0,0|1,0,0]=3 489 B9R1.2 COC1=NC=CC(Cl)=N1 L22353 [0,2,0,0,0,0|2,0,0]=4 490 B9R1.2 COC1=NC=CC(I)=C1 Q67717 [0,2,0,0,0,0|1,0,0]=3 491 B9R1.2 COC1=NC=CC(N)=C1 G-5580 [0,2,0,0,0,0|0,0,0]=2 492 B9R1.2 COC1=NC=CC(O)=C1 N25339 [0,2,0,0,0,0|1,0,0]=3 493 B9R1.2 COC1=NC=CC(O)=N1 O30030 [0,2,0,0,0,0|2,0,0]=4 494 B9R1.2 CSC1=CC(F)=NC=C1 N26858 [0,2,0,0,0,0|1,0,0]=3 495 B9R1.2 CSC1=NC(Cl)=NC=C1 O31924 [0,2,0,0,0,0|2,0,0]=4 496 B9R1.2 CSC1=NC=CC(=O)N1 C-3321 [0,2,0,0,0,0|2,0,0]=4 497 B9R1.2 CSC1=NC=CC(Cl)=N1 G-5360 [0,2,0,0,0,0|2,0,0]=4 498 B9R1.2 CSC1=NC=CC(I)=N1 M24035 [0,2,0,0,0,0|2,0,0]=4 499 B9R1.2 ClCC1=CC(Cl)=NC=C1 I-9215 [0,2,0,0,0,0|1,0,0]=3 500 B9R1.2 ClCC1=NC(Cl)=NC=C1 O29900 [0,2,0,0,0,0|2,0,0]=4 501 B9R1.2 N#CC1=CC(Br)=NC=C1 P42896 [0,2,0,0,0,0|0,0,1]=3 502 B9R1.2 N#CC1=CC(Cl)=NC=N1 L14780 [0,2,0,0,0,0|1,0,1]=4 503 B9R1.2 N#CC1=CC(N)=CC=N1 C-2284 [0,2,0,0,0,0|0,0,0]=2 504 B9R1.2 N#CC1=CC(N)=CN=C1 O31111 [0,2,0,0,0,0|2,0,0]=4 505 B9R1.2 N#CC1=CC(O)=NC=C1 S72686 [0,2,0,0,0,0|0,0,1]=3 506 B9R1.2 N#CC1=NC(Br)=CC=N1 Q56674 [0,2,0,0,0,0|2,0,0]=4 507 B9R1.2 N#CC1=NC(Cl)=NC=C1 G-5681 [0,2,0,0,0,0|1,0,1]=4 508 B9R1.2 N#CC1=NC(N)=CC=C1 O31090 [0,2,0,0,0,0|2,0,0]=4 509 B9R1.2 N#CC1=NC(N)=NC=C1 L14582 [0,2,0,0,0,0|1,0,1]=4 510 B9R1.2 N#CC1=NC=CC(Br)=C1 E-3011 [0,2,0,0,0,0|1,0,0]=3 511 B9R1.2 N#CC1=NC=CC(O)=C1 O29686 [0,2,0,0,0,0|1,0,0]=3 512 B9R1.2 N#CC1=NC=NC(Br)=C1 Q53677 [0,2,0,0,0,0|1,0,1]=4 513 B9R1.2 NC1=CC(C=O)=CC=C1 O30581 [0,2,0,0,0,0|1,0,0]=3 514 B9R1.2 NC1=CC(CO)=NC=C1 P43136 [0,2,0,0,0,0|0,0,0]=2 515 B9R1.2 NC1=CC(CO)=NC=N1 Q57201 [0,2,0,0,0,0|1,0,0]=3 516 B9R1.2 NC1=CC=NC(CCl)=N1 Q58579 [0,2,0,0,0,0|1,0,0]=3 517 B9R1.2 NC1=NC(C=O)=CC=C1 Q53329 [0,2,0,0,0,0|2,0,0]=4 518 B9R1.2 NC1=NC=CC(C=O)=C1 G-5572 [0,2,0,0,0,0|1,0,0]=3 519 B9R1.2 NC1=NC=CC(CO)=C1 G-7574 [0,2,0,0,0,0|1,0,0]=3 520 B9R1.2 NCC1=CC(=O)NC=C1 C-3609 [0,2,0,0,0,0|0,0,1]=3 521 B9R1.2 NCC1=CC(=O)NC=C1 P44155 [0,2,0,0,0,0|0,0,1]=3 522 B9R1.2 NCC1=CC(Br)=CN=C1 O31870 [0,2,0,0,0,0|2,0,0]=4 523 B9R1.2 NCC1=CC(Cl)=NC=C1 I-9257 [0,2,0,0,0,0|0,0,0]=2 524 B9R1.2 NCC1=CC(Cl)=NC=C1 L22480 [0,2,0,0,0,0|0,0,0]=2 525 B9R1.2 NCC1=CC(F)=CC=N1 Q52932 [0,2,0,0,0,0|1,0,0]=3 526 B9R1.2 NCC1=CC(F)=NC=C1 O29911 [0,2,0,0,0,0|0,0,0]=2 527 B9R1.2 NCC1=CC(F)=NC=C1 O31041 [0,2,0,0,0,0|0,0,0]=2 528 B9R1.2 NCC1=CC(N)=NC=N1 G-6200 [0,2,0,0,0,0|1,0,0]=3 529 B9R1.2 NCC1=CC(O)=CC=C1 P36367 [0,2,0,0,0,0|1,0,0]=3 530 B9R1.2 NCC1=CC=CC(=O)N1 O30155 [0,2,0,0,0,0|2,0,0]=4 531 B9R1.2 NCC1=CC=CC(F)=C1 N26365 [0,2,0,0,0,0|1,0,0]=3 532 B9R1.2 NCC1=CC=NC(Cl)=N1 P48695 [0,2,0,0,0,0|1,0,0]=3 533 B9R1.2 NCC1=CC=NC(Cl)=N1 Q56710 [0,2,0,0,0,0|1,0,0]=3 534 B9R1.2 NCC1=CN=CC(F)=C1 C-3498 [0,2,0,0,0,0|2,0,0]=4 535 B9R1.2 NCC1=CN=CC(N)=C1 O29974 [0,2,0,0,0,0|2,0,0]=4 536 B9R1.2 NCC1=CN=CC(N)=C1 O31108 [0,2,0,0,0,0|2,0,0]=4 537 B9R1.2 NCC1=C[N+]([O-])=CC=C1 Q55759 [0,2,0,0,0,0|2,0,0]=4 538 B9R1.2 NCC1=NC(=O)NC=C1 Q51935 [0,2,0,0,0,0|1,0,1]=4 539 B9R1.2 NCC1=NC(Br)=CC=C1 O34414 [0,2,0,0,0,0|2,0,0]=4 540 B9R1.2 NCC1=NC(F)=CC=C1 O30290 [0,2,0,0,0,0|2,0,0]=4 541 B9R1.2 NCC1=NC(F)=CC=C1 O31621 [0,2,0,0,0,0|2,0,0]=4 542 B9R1.2 NCC1=NC(N)=CC=C1 L20065 [0,2,0,0,0,0|2,0,0]=4 543 B9R1.2 NCC1=NC(N)=CC=C1 Q62425 [0,2,0,0,0,0|2,0,0]=4 544 B9R1.2 NCC1=NC(N)=CC=C1 Q62426 [0,2,0,0,0,0|2,0,0]=4 545 B9R1.2 NCC1=NC=CC(Br)=C1 G-5659 [0,2,0,0,0,0|1,0,0]=3 546 B9R1.2 NCC1=NC=CC(Br)=C1 O33288 [0,2,0,0,0,0|1,0,0]=3 547 B9R1.2 NCC1=NC=CC(Br)=C1 Q51926 [0,2,0,0,0,0|1,0,0]=3 548 B9R1.2 NCC1=NC=CC(Cl)=C1 I-9896 [0,2,0,0,0,0|1,0,0]=3 549 B9R1.2 NCC1=NC=CC(Cl)=C1 Q56342 [0,2,0,0,0,0|1,0,0]=3 550 B9R1.2 NCC1=NC=CC(Cl)=N1 H-8844 [0,2,0,0,0,0|2,0,0]=4 551 B9R1.2 NCC1=NC=CC(Cl)=N1 Q52695 [0,2,0,0,0,0|2,0,0]=4 552 B9R1.2 NCC1=NC=CC(F)=C1 O29654 [0,2,0,0,0,0|1,0,0]=3 553 B9R1.2 NCC1=NC=CC(N)=N1 Q58583 [0,2,0,0,0,0|1,0,0]=3 554 B9R1.2 NCC1=NC=CC(O)=C1 O29566 [0,2,0,0,0,0|1,0,0]=3 555 B9R1.2 NCC1=NC=NC(N)=C1 L13264 [0,2,0,0,0,0|1,0,0]=3 556 B9R1.2 NCC1=NC=NC(O)=C1 G-6198 [0,2,0,0,0,0|1,0,0]=3 557 B9R1.2 NNC1=CC(=O)NC=N1 M15207 [0,2,0,0,0,0|1,0,1]=4 558 B9R1.2 NNC1=CC(Cl)=NC=C1 O30804 [0,2,0,0,0,0|0,0,0]=2 559 B9R1.2 NNC1=CN=CC(Br)=C1 Q57187 [0,2,0,0,0,0|2,0,0]=4 560 B9R1.2 NNC1=CN=CC(Br)=C1 Q57188 [0,2,0,0,0,0|2,0,0]=4 561 B9R1.2 NNC1=NC=CC(Cl)=C1 P43285 [0,2,0,0,0,0|1,0,0]=3 562 B9R1.2 N\N=C1/C=C(I)C=CN1 N25209 [0,2,0,0,0,0|1,0,1]=4 563 B9R1.2 O=C1C=C(CO)C=CN1 C-2797 [0,2,0,0,0,0|1,0,1]=4 564 B9R1.2 O=CC1=CC(Cl)=NC=N1 Q52806 [0,2,0,0,0,0|2,0,0]=4 565 B9R1.2 O=CC1=CC(F)=NC=C1 Q66309 [0,2,0,0,0,0|1,0,0]=3 566 B9R1.2 O=CC1=NC(Br)=CC=N1 Q56237 [0,2,0,0,0,0|2,0,0]=4 567 B9R1.2 O=CC1=NC=CC(Cl)=C1 G-5341 [0,2,0,0,0,0|1,0,0]=3 568 B9R1.2 O=CC1=NC=CC(F)=C1 Q56665 [0,2,0,0,0,0|1,0,0]=3 569 B9R1.2 O=CC1=NC=CC(O)=C1 Q53140 [0,2,0,0,0,0|1,0,0]=3 570 B9R1.2 O=CC1=NC=NC(O)=C1 S72508 [0,2,0,0,0,0|2,0,0]=4 571 B9R1.2 OC1=CC=CC(CBr)=C1 O29845 [0,2,0,0,0,0|2,0,0]=4 572 B9R1.2 OCC1=CC(Cl)=NC=C1 Q67739 [0,2,0,0,0,0|1,0,0]=3 573 B9R1.2 OCC1=CC(Cl)=NC=N1 G-7201 [0,2,0,0,0,0|2,0,0]=4 574 B9R1.2 OCC1=CC(F)=NC=C1 P41706 [0,2,0,0,0,0|1,0,0]=3 575 B9R1.2 OCC1=NC=CC(Br)=C1 B-1208 [0,2,0,0,0,0|1,0,0]=3 576 B9R1.2 OCC1=NC=CC(F)=C1 O29281 [0,2,0,0,0,0|1,0,0]=3 577 B9R1.6 CC(=O)C1=CC=NN=C1 G-6740 [0,2,0,0,0,0|2,0,0]=4 578 B9R1.6 CC(=O)C1=NC=NC=C1 O34283 [0,2,0,0,0,0|2,0,0]=4 579 B9R1.6 CC(N)C1=CC=NC=C1 P37797 [0,2,0,0,0,0|0,0,0]=2 580 B9R1.6 CC(N)C1=CC=NC=N1 Q51822 [0,2,0,0,0,0|1,0,0]=3 581 B9R1.6 CC(N)C1=CC=NN=C1 G-7533 [0,2,0,0,0,0|1,0,0]=3 582 B9R1.6 CC(N)C1=CC=NN=C1 L13924 [0,2,0,0,0,0|1,0,0]=3 583 B9R1.6 CC(N)C1=NC=CC=C1 P38151 [0,2,0,0,0,0|2,0,0]=4 584 B9R1.6 C[C@@H](N)C1=CC=NC=C1 Q53046 [0,2,0,0,0,0|0,0,0]=2 585 B9R1.6 C[C@@H](N)C1=CN=CC=C1 Q54675 [0,2,0,0,0,0|2,0,0]=4 586 B9R1.6 N=C(N)C1=NC=CC=C1 O34083 [0,2,0,0,0,0|2,0,0]=4 587 B9R1.6 NC(=O)C1=NC=NC=C1 P51213 [0,2,0,0,0,0|1,0,0]=3 588 B9R1.6 O=C(O)C1=CC=NC=N1 C-2226 [0,2,0,0,0,0|2,0,0]=4 589 B9R1.6 O=C(O)C1=CC=NN=C1 C-3207 [0,2,0,0,0,0|2,0,0]=4 590 B9R1.6 O=S([O-])C1=CC=NC=C1 Q69553 [0,2,0,0,0,0|1,0,0]=3 591 B9R1.6 OB(O)C1=CC=NC=C1 C-3686 [0,2,0,0,0,0|1,0,0]=3 592 B9R1.6 OB(O)C1=NC=NC=C1 H-8023 [0,2,0,0,0,0|2,0,0]=4 593 B9R1.8 BrCCC1=CC=NC=C1 Q62364 [0,2,0,0,0,0|1,0,0]=3 594 B9R1.8 CNCC1=CC=CN=C1 P35002 [0,2,0,0,0,0|2,0,0]=4 595 B9R1.8 CNCC1=CC=NC=C1 P36555 [0,2,0,0,0,0|0,0,0]=2 596 B9R1.8 CNCC1=NC=CC=C1 P39822 [0,2,0,0,0,0|2,0,0]=4 597 B9R1.8 N#CCC1=CC=NC=C1 P41732 [0,2,0,0,0,0|0,0,1]=3 598 B9R1.8 N#CCC1=CC=NN=C1 C-3377 [0,2,0,0,0,0|1,0,1]=4 599 B9R1.8 N#CCC1=NC=NC=C1 G-5174 [0,2,0,0,0,0|1,0,1]=4 600 B9R1.8 NCCC1=CC=NC=N1 L14509 [0,2,0,0,0,0|1,0,0]=3 601 B9R1.8 NCCC1=NC=NC=C1 Q56454 [0,2,0,0,0,0|1,0,0]=3 602 B9R1.8 NNCC1=CC=CC=C1 P43525 [0,2,0,0,0,0|1,0,0]=3 603 B9R1.8 NNCC1=CC=CN=C1 O31533 [0,2,0,0,0,0|2,0,0]=4 604 B9R1.8 NNCC1=CC=NC=C1 C-3253 [0,2,0,0,0,0|0,0,0]=2 605 B9R1.8 NNCC1=CC=NC=C1 L13556 [0,2,0,0,0,0|0,0,0]=2 606 B9R1.8 NNCC1=CC=NC=C1 O32212 [0,2,0,0,0,0|0,0,0]=2 607 B9R1.8 NNCC1=CN=CC=C1 C-3254 [0,2,0,0,0,0|2,0,0]=4 608 B9R1.8 NNCC1=NC=CC=C1 C-3255 [0,2,0,0,0,0|2,0,0]=4 609 B9R1.8 NNCC1=NC=CC=C1 O31423 [0,2,0,0,0,0|2,0,0]=4 610 B9R1.8 OCCC1=CC=NC=C1 P37585 [0,2,0,0,0,0|1,0,0]=3 611 B9R1.8 OCCC1=CC=NC=N1 Q56821 [0,2,0,0,0,0|2,0,0]=4 612 B9R1.8 O\N=C\C1=CC=NC=N1 Q58586 [0,2,0,0,0,0|1,0,1]=4 613 B9R1.15 C#CC1=C(C)C=NC=C1 Q54976 [0,2,0,0,0,0|1,0,0]=3 614 B9R1.15 C#CC1=C(Cl)C=NC=C1 O31010 [0,2,0,0,0,0|1,0,0]=3 615 B9R1.15 C#CC1=C(F)C=NC=C1 Q54977 [0,2,0,0,0,0|1,0,0]=3 616 B9R1.15 C#CC1=CC=CC=C1Br O27884 [0,2,0,0,0,0|2,0,0]=4 617 B9R1.15 C#CC1=CC=CC=C1C O28000 [0,2,0,0,0,0|2,0,0]=4 618 B9R1.15 C#CC1=CC=CC=C1N L13529 [0,2,0,0,0,0|1,0,0]=3 619 B9R1.15 C#CC1=CC=CC=C1O O30353 [0,2,0,0,0,0|2,0,0]=4 620 B9R1.15 C#CC1=CC=CN=C1N O32682 [0,2,0,0,0,0|2,0,0]=4 621 B9R1.15 C(=O)C1=C(O)C=CN=C1 Q57085 [0,2,0,0,0,0|1,0,0]=3 622 B9R1.15 C(=O)C1=CC=CN=C1N E-3082 [0,2,0,0,0,0|2,0,0]=4 623 B9R1.15 C(=O)C1=CN=CC=C1C C-2893 [0,2,0,0,0,0|1,0,0]=3 624 B9R1.15 C(=O)C1=CN=CN=C1N Q55481 [0,2,0,0,0,0|1,0,0]=3 625 B9R1.15 C(=O)C1=NC=NC=C1N Q55482 [0,2,0,0,0,0|2,0,0]=4 626 B9R1.15 C=CC1=CC=CC=C1N O30540 [0,2,0,0,0,0|1,0,0]=3 627 B9R1.15 CC1=C(C#N)C=CN=C1 L18073 [0,2,0,0,0,0|0,0,1]=3 628 B9R1.15 CC1=C(C#N)C=NN=C1 L18391 [0,2,0,0,0,0|1,0,1]=4 629 B9R1.15 CC1=C(CCl)C=CN=C1 L18062 [0,2,0,0,0,0|1,0,0]=3 630 B9R1.15 CC1=C(CN)C=CN=C1 O30239 [0,2,0,0,0,0|0,0,0]=2 631 B9R1.15 CC1=C(CN)C=NC=C1 G-7930 [0,2,0,0,0,0|1,0,0]=3 632 B9R1.15 CC1=C(CO)C=NC=C1 G-7931 [0,2,0,0,0,0|1,0,0]=3 633 B9R1.15 CC1=CC=CN=C1CN P40986 [0,2,0,0,0,0|2,0,0]=4 634 B9R1.15 CC1=CC=NN=C1CN O32943 [0,2,0,0,0,0|2,0,0]=4 635 B9R1.15 CC1=CN=CC=C1CO C-2894 [0,2,0,0,0,0|1,0,0]=3 636 B9R1.15 CC1=CN=CN=C1C#N Q58566 [0,2,0,0,0,0|1,0,1]=4 637 B9R1.15 CC1=NC=CC=C1CN P37228 [0,2,0,0,0,0|2,0,0]=4 638 B9R1.15 CC1=NC=NC=C1C=O Q60398 [0,2,0,0,0,0|2,0,0]=4 639 B9R1.15 CCC1=C(Br)C=CN=C1 G-5778 [0,2,0,0,0,0|1,0,0]=3 640 B9R1.15 CCC1=C(Br)C=CN=C1 L22190 [0,2,0,0,0,0|1,0,0]=3 641 B9R1.15 CCC1=C(Br)C=CN=C1 Q52444 [0,2,0,0,0,0|1,0,0]=3 642 B9R1.15 CCC1=C(Br)C=NC=C1 P44427 [0,2,0,0,0,0|1,0,0]=3 643 B9R1.15 CCC1=CC=CN=C1N P38117 [0,2,0,0,0,0|2,0,0]=4 644 B9R1.15 CCC1=NC=NC=C1F C-2874 [0,2,0,0,0,0|2,0,0]=4 645 B9R1.15 CNC1=NC=CC=C1F Q69363 [0,2,0,0,0,0|2,0,0]=4 646 B9R1.15 CNC1=NC=CC=C1I N27017 [0,2,0,0,0,0|2,0,0]=4 647 B9R1.15 CNC1=NC=CC=C1N M23208 [0,2,0,0,0,0|2,0,0]=4 648 B9R1.15 CNC1=NN=CC=C1Br O29409 [0,2,0,0,0,0|2,0,0]=4 649 B9R1.15 COC1=C(Br)C=CN=C1 H-8447 [0,2,0,0,0,0|1,0,0]=3 650 B9R1.15 COC1=C(Br)C=CN=C1 O30229 [0,2,0,0,0,0|1,0,0]=3 651 B9R1.15 COC1=C(Br)C=NC=C1 O30836 [0,2,0,0,0,0|1,0,0]=3 652 B9R1.15 COC1=C(Cl)N=CN=C1 M15583 [0,2,0,0,0,0|2,0,0]=4 653 B9R1.15 COC1=C(I)C=NC=C1 N24568 [0,2,0,0,0,0|1,0,0]=3 654 B9R1.15 COC1=C(N)C=CN=C1 I-9880 [0,2,0,0,0,0|0,0,0]=2 655 B9R1.15 COC1=C(N)C=NC=C1 O31833 [0,2,0,0,0,0|1,0,0]=3 656 B9R1.15 COC1=C(O)C=NC=C1 O30206 [0,2,0,0,0,0|1,0,0]=3 657 B9R1.15 COC1=C(O)N=CN=C1 Q54677 [0,2,0,0,0,0|2,0,0]=4 658 B9R1.15 COC1=CC=CN=C1N Q67917 [0,2,0,0,0,0|2,0,0]=4 659 B9R1.15 COC1=NC=NC=C1N O30116 [0,2,0,0,0,0|2,0,0]=4 660 B9R1.15 COC1=NC=NC=C1N O31509 [0,2,0,0,0,0|2,0,0]=4 661 B9R1.15 CSC1=C(Br)C=CN=C1 N25058 [0,2,0,0,0,0|1,0,0]=3 662 B9R1.15 CSC1=C(F)C=NC=C1 N26954 [0,2,0,0,0,0|1,0,0]=3 663 B9R1.15 CSC1=CN=CNC1=O K12001 [0,2,0,0,0,0|2,0,0]=4 664 B9R1.15 FC1=CN=CC=C1CBr Q64618 [0,2,0,0,0,0|1,0,0]=3 665 B9R1.15 N#CC1=C(Br)C=NC=C1 Q66737 [0,2,0,0,0,0|0,0,1]=3 666 B9R1.15 N#CC1=C(Cl)C=NC=C1 Q62490 [0,2,0,0,0,0|0,0,1]=3 667 B9R1.15 N#CC1=C(F)C=CN=C1 Q52647 [0,2,0,0,0,0|1,0,0]=3 668 B9R1.15 N#CC1=C(I)C=CN=C1 F-4078 [0,2,0,0,0,0|1,0,0]=3 669 B9R1.15 N#CC1=C(N)C=NC=C1 E-3100 [0,2,0,0,0,0|0,0,1]=3 670 B9R1.15 N#CC1=NC=CC=C1N C-3688 [0,2,0,0,0,0|2,0,0]=4 671 B9R1.15 N#CC1=NC=NC=C1Br C-2368 [0,2,0,0,0,0|1,0,1]=4 672 B9R1.15 NC1=C(C=O)C=CN=C1 I-9640 [0,2,0,0,0,0|1,0,0]=3 673 B9R1.15 NC1=C(C=O)C=NC=C1 Q51902 [0,2,0,0,0,0|0,0,0]=2 674 B9R1.15 NC1=C(CO)C=NC=C1 O34460 [0,2,0,0,0,0|0,0,0]=2 675 B9R1.15 NC1=CC=CC=C1CO G-7793 [0,2,0,0,0,0|1,0,0]=3 676 B9R1.15 NC1=NC=CC=C1CO O32321 [0,2,0,0,0,0|2,0,0]=4 677 B9R1.15 NC1=NC=NC=C1CO Q58609 [0,2,0,0,0,0|1,0,0]=3 678 B9R1.15 NCC1=C(Br)C=NC=C1 Q52844 [0,2,0,0,0,0|0,0,0]=2 679 B9R1.15 NCC1=C(Cl)C=NC=C1 O29784 [0,2,0,0,0,0|0,0,0]=2 680 B9R1.15 NCC1=C(F)C=NC=C1 O30341 [0,2,0,0,0,0|0,0,0]=2 681 B9R1.15 NCC1=C(F)C=NC=C1 O31298 [0,2,0,0,0,0|0,0,0]=2 682 B9R1.15 NCC1=C(N)C=CN=C1 Q53195 [0,2,0,0,0,0|0,0,0]=2 683 B9R1.15 NCC1=C(O)C=CN=C1 Q62259 [0,2,0,0,0,0|1,0,0]=3 684 B9R1.15 NCC1=CC=CC=C1Br P38336 [0,2,0,0,0,0|1,0,0]=3 685 B9R1.15 NCC1=CC=CC=C1I P38307 [0,2,0,0,0,0|1,0,0]=3 686 B9R1.15 NCC1=CC=CN=C1Cl G-7575 [0,2,0,0,0,0|2,0,0]=4 687 B9R1.15 NCC1=CC=CN=C1Cl O31037 [0,2,0,0,0,0|2,0,0]=4 688 B9R1.15 NCC1=CC=CN=C1N Q58373 [0,2,0,0,0,0|2,0,0]=4 689 B9R1.15 NCC1=CN=CN=C1N Q58608 [0,2,0,0,0,0|1,0,0]=3 690 B9R1.15 NCC1=NC=CC=C1Br P43535 [0,2,0,0,0,0|2,0,0]=4 691 B9R1.15 NCC1=NC=CC=C1Cl L14332 [0,2,0,0,0,0|2,0,0]=4 692 B9R1.15 NCC1=NC=CC=C1Cl P37858 [0,2,0,0,0,0|2,0,0]=4 693 B9R1.15 NCC1=NC=CC=C1F L21946 [0,2,0,0,0,0|2,0,0]=4 694 B9R1.15 NCC1=NC=CC=C1F P45775 [0,2,0,0,0,0|2,0,0]=4 695 B9R1.15 NNC1=NC=NC=C1Br Q54684 [0,2,0,0,0,0|1,0,0]=3 696 B9R1.15 N\N=C1\NC=CC=C1I N25345 [0,2,0,0,0,0|2,0,0]=4 697 B9R1.15 O=CC1=C(Br)C=CN=C1 L14209 [0,2,0,0,0,0|1,0,0]=3 698 B9R1.15 O=CC1=C(Br)C=CN=C1 L21843 [0,2,0,0,0,0|1,0,0]=3 699 B9R1.15 O=CC1=C(Br)C=CN=C1 N24911 [0,2,0,0,0,0|1,0,0]=3 700 B9R1.15 O=CC1=C(Br)C=NC=C1 Q66929 [0,2,0,0,0,0|1,0,0]=3 701 B9R1.15 O=CC1=C(Br)C=NC=C1 Q67986 [0,2,0,0,0,0|1,0,0]=3 702 B9R1.15 O=CC1=C(Cl)C=CN=C1 G-7008 [0,2,0,0,0,0|1,0,0]=3 703 B9R1.15 O=CC1=C(Cl)C=CN=C1 N24210 [0,2,0,0,0,0|1,0,0]=3 704 B9R1.15 O=CC1=C(Cl)C=NC=C1 N27329 [0,2,0,0,0,0|1,0,0]=3 705 B9R1.15 O=CC1=C(Cl)N=CN=C1 Q53710 [0,2,0,0,0,0|2,0,0]=4 706 B9R1.15 O=CC1=C(F)C=CN=C1 Q56666 [0,2,0,0,0,0|1,0,0]=3 707 B9R1.15 O=CC1=C(I)C=CC=C1 G-5775 [0,2,0,0,0,0|2,0,0]=4 708 B9R1.15 OCC1=C(Br)C=CN=C1 N25303 [0,2,0,0,0,0|1,0,0]=3 709 B9R1.15 OCC1=C(Br)C=CN=C1 N25521 [0,2,0,0,0,0|1,0,0]=3 710 B9R1.15 OCC1=C(Br)C=CN=C1 N25828 [0,2,0,0,0,0|1,0,0]=3 711 B9R1.15 OCC1=C(Br)C=NC=C1 P41171 [0,2,0,0,0,0|1,0,0]=3 712 B9R1.15 OCC1=C(Cl)C=CN=C1 O31919 [0,2,0,0,0,0|1,0,0]=3 713 B9R1.15 OCC1=C(Cl)C=NC=C1 P36007 [0,2,0,0,0,0|1,0,0]=3 714 B9R1.15 OCC1=C(Cl)N=CN=C1 F-4870 [0,2,0,0,0,0|2,0,0]=4 715 B9R1.15 OCC1=C(F)C=CN=C1 L14446 [0,2,0,0,0,0|1,0,0]=3 716 B9R1.15 OCC1=C(F)C=CN=C1 Q55508 [0,2,0,0,0,0|1,0,0]=3 717 B9R1.15 OCC1=C(F)C=NC=C1 G-5482 [0,2,0,0,0,0|1,0,0]=3 718 B9R1.69 BrC1=CC=C(Br)C(I)=C1 Q67122 [0,2,0,0,0,0|2,0,0]=4 719 B9R1.69 BrC1=CN=C(Br)C=C1I Q67162 [0,2,0,0,0,0|1,0,0]=3 720 B9R1.69 CC1=C(Br)N=C(N)C=C1 L14830 [0,2,0,0,0,0|2,0,0]=4 721 B9R1.69 CC1=C(Cl)N=NC(Cl)=C1 G-5220 [0,2,0,0,0,0|2,0,0]=4 722 B9R1.69 CC1=C(I)C=CC(N)=N1 Q67860 [0,2,0,0,0,0|2,0,0]=4 723 B9R1.69 CC1=C(N)C=NC(F)=C1 S70889 [0,2,0,0,0,0|1,0,0]=3 724 B9R1.69 CC1=C(N)N=C(Cl)N=C1 Q51998 [0,2,0,0,0,0|1,0,0]=3 725 B9R1.69 CC1=C(O)C=C(I)C=C1 N25358 [0,2,0,0,0,0|2,0,0]=4 726 B9R1.69 CC1=C(O)C=NC(N)=C1 Q62481 [0,2,0,0,0,0|1,0,0]=3 727 B9R1.69 CC1=CC(Br)=NC=C1Cl Q67207 [0,2,0,0,0,0|1,0,0]=3 728 B9R1.69 CC1=CC(Br)=NC=C1I Q68044 [0,2,0,0,0,0|1,0,0]=3 729 B9R1.69 CC1=CC(Br)=NC=C1N G-6075 [0,2,0,0,0,0|1,0,0]=3 730 B9R1.69 CC1=CC(Br)=NC=C1O N25753 [0,2,0,0,0,0|1,0,0]=3 731 B9R1.69 CC1=CC(C)=NN=C1Cl G-5522 [0,2,0,0,0,0|2,0,0]=4 732 B9R1.69 CC1=CC(C)=NNC1=O I-9807 [0,2,0,0,0,0|2,0,0]=4 733 B9R1.69 CC1=CC(Cl)=NC=C1Br P44610 [0,2,0,0,0,0|1,0,0]=3 734 B9R1.69 CC1=CC(Cl)=NC=C1Cl Q67201 [0,2,0,0,0,0|1,0,0]=3 735 B9R1.69 CC1=CC(Cl)=NC=C1F Q67353 [0,2,0,0,0,0|1,0,0]=3 736 B9R1.69 CC1=CC(Cl)=NC=C1I N25567 [0,2,0,0,0,0|1,0,0]=3 737 B9R1.69 CC1=CC(Cl)=NC=C1O N24851 [0,2,0,0,0,0|1,0,0]=3 738 B9R1.69 CC1=CC(Cl)=NN=C1C O30137 [0,2,0,0,0,0|2,0,0]=4 739 B9R1.69 CC1=CC(Cl)=NN=C1N K12072 [0,2,0,0,0,0|2,0,0]=4 740 B9R1.69 CC1=CC(F)=NC=C1I Q67341 [0,2,0,0,0,0|1,0,0]=3 741 B9R1.69 CC1=CC(F)=NC=C1O N24453 [0,2,0,0,0,0|1,0,0]=3 742 B9R1.69 CC1=CC(I)=NC=C1Br N24311 [0,2,0,0,0,0|1,0,0]=3 743 B9R1.69 CC1=CC(N)=C(C)N=C1 Q52631 [0,2,0,0,0,0|2,0,0]=4 744 B9R1.69 CC1=CC(N)=CN=C1F P40260 [0,2,0,0,0,0|2,0,0]=4 745 B9R1.69 CC1=CC(N)=NC=C1I N24328 [0,2,0,0,0,0|1,0,0]=3 746 B9R1.69 CC1=CC(N)=NN=C1Cl L18006 [0,2,0,0,0,0|2,0,0]=4 747 B9R1.69 CC1=CC(O)=C(N)N=C1 M15013 [0,2,0,0,0,0|2,0,0]=4 748 B9R1.69 CC1=CC(S)=CC=C1O O29326 [0,2,0,0,0,0|2,0,0]=4 749 B9R1.69 CC1=CC=C(Br)C(O)=C1 Q66624 [0,2,0,0,0,0|2,0,0]=4 750 B9R1.69 CC1=CC=C(Br)N=C1N L14151 [0,2,0,0,0,0|2,0,0]=4 751 B9R1.69 CC1=CC=C(Cl)C(I)=C1 N24139 [0,2,0,0,0,0|2,0,0]=4 752 B9R1.69 CC1=CC=C(I)C=C1Br Q67390 [0,2,0,0,0,0|2,0,0]=4 753 B9R1.69 CC1=CC=C(N)C(Br)=N1 Q66345 [0,2,0,0,0,0|2,0,0]=4 754 B9R1.69 CC1=CC=C(N)C(Cl)=N1 E-3066 [0,2,0,0,0,0|2,0,0]=4 755 B9R1.69 CC1=CC=C(O)C=C1I N25087 [0,2,0,0,0,0|2,0,0]=4 756 B9R1.69 CC1=CC=C(O)C=C1O Q67730 [0,2,0,0,0,0|2,0,0]=4 757 B9R1.69 CC1=CN=C(Br)C=C1N O30047 [0,2,0,0,0,0|0,0,0]=2 758 B9R1.69 CC1=CN=C(C)C=C1Cl Q52588 [0,2,0,0,0,0|1,0,0]=3 759 B9R1.69 CC1=CN=C(Cl)C=C1N O30252 [0,2,0,0,0,0|0,0,0]=2 760 B9R1.69 CC1=CN=C(Cl)N=C1C O33505 [0,2,0,0,0,0|2,0,0]=4 761 B9R1.69 CC1=CN=C(Cl)N=C1Cl G-5940 [0,2,0,0,0,0|2,0,0]=4 762 B9R1.69 CC1=CN=C(F)C=C1Br N26238 [0,2,0,0,0,0|1,0,0]=3 763 B9R1.69 CC1=CN=C(F)C=C1C N26251 [0,2,0,0,0,0|1,0,0]=3 764 B9R1.69 CC1=CN=C(F)C=C1I Q66675 [0,2,0,0,0,0|1,0,0]=3 765 B9R1.69 CC1=CN=C(N)C(I)=C1 L14762 [0,2,0,0,0,0|2,0,0]=4 766 B9R1.69 CC1=CN=C(N)N=C1Cl G-7406 [0,2,0,0,0,0|2,0,0]=4 767 B9R1.69 CC1=CNC(=O)C=C1Br Q55598 [0,2,0,0,0,0|1,0,1]=4 768 B9R1.69 CC1=CNC(=O)C=C1I Q68536 [0,2,0,0,0,0|1,0,1]=4 769 B9R1.69 CC1=NC(Cl)=CC=C1N E-3067 [0,2,0,0,0,0|2,0,0]=4 770 B9R1.69 CC1=NC(Cl)=NC=C1Br O31830 [0,2,0,0,0,0|2,0,0]=4 771 B9R1.69 CC1=NC(Cl)=NC=C1N L13749 [0,2,0,0,0,0|2,0,0]=4 772 B9R1.69 CC1=NC(Cl)=NC=C1O L13095 [0,2,0,0,0,0|2,0,0]=4 773 B9R1.69 CC1=NC(N)=CC=C1O Q62482 [0,2,0,0,0,0|2,0,0]=4 774 B9R1.69 CC1=NC(N)=NC=C1Cl L13118 [0,2,0,0,0,0|2,0,0]=4 775 B9R1.69 CC1=NC=C(Br)C(Cl)=C1 C-3762 [0,2,0,0,0,0|1,0,0]=3 776 B9R1.69 CC1=NC=C(Br)C(Cl)=N1 Q55498 [0,2,0,0,0,0|2,0,0]=4 777 B9R1.69 CC1=NC=C(Br)C(N)=C1 C-3707 [0,2,0,0,0,0|0,0,0]=2 778 B9R1.69 CC1=NC=C(Br)C(N)=N1 Q58561 [0,2,0,0,0,0|1,0,0]=3 779 B9R1.69 CC1=NC=C(Br)C=C1N C-3241 [0,2,0,0,0,0|2,0,0]=4 780 B9R1.69 CC1=NC=C(Cl)C(Br)=C1 Q52635 [0,2,0,0,0,0|1,0,0]=3 781 B9R1.69 CC1=NC=C(Cl)C(N)=C1 Q62486 [0,2,0,0,0,0|0,0,0]=2 782 B9R1.69 CC1=NC=C(Cl)C=C1N C-3693 [0,2,0,0,0,0|2,0,0]=4 783 B9R1.69 CC1=NC=C(F)C(Cl)=C1 Q56248 [0,2,0,0,0,0|1,0,0]=3 784 B9R1.69 CC1=NC=C(F)C(N)=C1 Q62487 [0,2,0,0,0,0|0,0,0]=2 785 B9R1.69 CC1=NC=C(I)C(Cl)=N1 Q58674 [0,2,0,0,0,0|2,0,0]=4 786 B9R1.69 CC1=NC=C(N)C(N)=C1 Q62392 [0,2,0,0,0,0|0,0,0]=2 787 B9R1.69 CC1=NC=C(N)C=C1Br C-2418 [0,2,0,0,0,0|2,0,0]=4 788 B9R1.69 CC1=NC=C(N)C=C1Cl Q52362 [0,2,0,0,0,0|2,0,0]=4 789 B9R1.69 CC1=NC=C(O)C(N)=N1 Q58695 [0,2,0,0,0,0|1,0,0]=3 790 B9R1.69 CC1=NNC(=O)C(N)=C1 I-9424 [0,2,0,0,0,0|1,0,0]=3 791 B9R1.69 CN1C=C(N)C=CC1=O L22303 [0,2,0,0,0,0|2,0,0]=4 792 B9R1.69 CN1C=CC(Br)=CC1=O C-3607 [0,2,0,0,0,0|1,0,1]=4 793 B9R1.69 CN1C=CC(N)=CC1=O C-3232 [0,2,0,0,0,0|0,0,1]=3 794 B9R1.69 CN1C=CC(N)=CC1=O C-3232-1 [0,2,0,0,0,0|0,0,1]=3 795 B9R1.69 CN1N=CC(N)=CC1=O P44069 [0,2,0,0,0,0|1,0,1]=4 796 B9R1.69 ClC1=CC(Br)=NC=C1I O32612 [0,2,0,0,0,0|1,0,0]=3 797 B9R1.69 ClC1=CC=C(Br)C(Br)=C1 Q68281 [0,2,0,0,0,0|2,0,0]=4 798 B9R1.69 ClC1=CC=C(Br)C(I)=C1 Q67405 [0,2,0,0,0,0|2,0,0]=4 799 B9R1.69 ClC1=CC=C(I)C=C1Br Q67848 [0,2,0,0,0,0|2,0,0]=4 800 B9R1.69 ClC1=CN=C(Br)C=C1I Q67163 [0,2,0,0,0,0|1,0,0]=3 801 B9R1.69 ClC1=CN=C(Cl)C=C1Br 10097 [0,2,0,0,0,0|1,0,0]=3 802 B9R1.69 ClC1=CN=C(Cl)C=C1Cl I-9624 [0,2,0,0,0,0|1,0,0]=3 803 B9R1.69 ClC1=CN=C(Cl)C=C1I Q67164 [0,2,0,0,0,0|1,0,0]=3 804 B9R1.69 ClC1=NC=C(Br)C(Cl)=N1 G-7630 [0,2,0,0,0,0|2,0,0]=4 805 B9R1.69 ClC1=NC=C(Br)C(I)=C1 P45653 [0,2,0,0,0,0|1,0,0]=3 806 B9R1.69 ClC1=NC=C(I)C(Cl)=N1 O33657 [0,2,0,0,0,0|2,0,0]=4 807 B9R1.69 FC1=CC(Cl)=NC=C1Br Q62386 [0,2,0,0,0,0|1,0,0]=3 808 B9R1.69 FC1=CC(Cl)=NC=C1I O33481 [0,2,0,0,0,0|1,0,0]=3 809 B9R1.69 FC1=CC(Cl)=NN=C1Cl G-5859 [0,2,0,0,0,0|2,0,0]=4 810 B9R1.69 FC1=CC(F)=C(I)C=C1 P45927 [0,2,0,0,0,0|2,0,0]=4 811 B9R1.69 FC1=CC(S)=CC=C1Br S70896 [0,2,0,0,0,0|2,0,0]=4 812 B9R1.69 FC1=CN=C(Br)C=C1Br Q62235 [0,2,0,0,0,0|1,0,0]=3 813 B9R1.69 FC1=CN=C(Br)C=C1F Q62265 [0,2,0,0,0,0|1,0,0]=3 814 B9R1.69 FC1=CN=C(Cl)C=C1Br N24647 [0,2,0,0,0,0|1,0,0]=3 815 B9R1.69 FC1=CN=C(Cl)C=C1I Q66428 [0,2,0,0,0,0|1,0,0]=3 816 B9R1.69 FC1=CN=C(F)C=C1Br H-8376 [0,2,0,0,0,0|1,0,0]=3 817 B9R1.69 FC1=CN=C(F)C=C1I H-8375 [0,2,0,0,0,0|1,0,0]=3 818 B9R1.69 FC1=NC=C(Br)C(Cl)=C1 Q62208 [0,2,0,0,0,0|1,0,0]=3 819 B9R1.69 FC1=NC=C(Cl)C(I)=C1 Q67306 [0,2,0,0,0,0|1,0,0]=3 820 B9R1.69 NC1=C(Br)C=C(Cl)N=N1 L13511 [0,2,0,0,0,0|2,0,0]=4 821 B9R1.69 NC1=C(Br)C=C(O)C=N1 Q57213 [0,2,0,0,0,0|2,0,0]=4 822 B9R1.69 NC1=C(Br)C=CC(F)=N1 Q54707 [0,2,0,0,0,0|2,0,0]=4 823 B9R1.69 NC1=C(Cl)C=C(Cl)N=C1 O30787 [0,2,0,0,0,0|1,0,0]=3 824 B9R1.69 NC1=C(F)C=C(Cl)N=C1 L14317 [0,2,0,0,0,0|1,0,0]=3 825 B9R1.69 NC1=C(F)C=NC(=O)N1 Q58688 [0,2,0,0,0,0|1,0,0]=3 826 B9R1.69 NC1=C(N)C=C(Br)N=C1 O31060 [0,2,0,0,0,0|0,0,0]=2 827 B9R1.69 NC1=C(N)C=C(Cl)N=C1 L14079 [0,2,0,0,0,0|0,0,0]=2 828 B9R1.69 NC1=C(N)N=C(O)C=C1 O32033 [0,2,0,0,0,0|2,0,0]=4 829 B9R1.69 NC1=C(N)N=CC(O)=C1 Q62415 [0,2,0,0,0,0|2,0,0]=4 830 B9R1.69 NC1=C(O)C=CC(Cl)=N1 F-4774 [0,2,0,0,0,0|2,0,0]=4 831 B9R1.69 NC1=C(O)C=NC(Cl)=C1 O29927 [0,2,0,0,0,0|0,0,0]=2 832 B9R1.69 NC1=C(S)C=C(Br)C=C1 A-873 [0,2,0,0,0,0|1,0,0]=3 833 B9R1.69 NC1=C(S)C=CC(Br)=C1 H-8776 [0,2,0,0,0,0|1,0,0]=3 834 B9R1.69 NC1=CC(Br)=CN=C1Br C-3310 [0,2,0,0,0,0|2,0,0]=4 835 B9R1.69 NC1=CC(Br)=CN=C1N G-7729 [0,2,0,0,0,0|2,0,0]=4 836 B9R1.69 NC1=CC(Br)=CNC1=O S72493 [0,2,0,0,0,0|2,0,0]=4 837 B9R1.69 NC1=CC(Br)=NC=C1Br Q53420 [0,2,0,0,0,0|0,0,0]=2 838 B9R1.69 NC1=CC(Br)=NC=C1F O33371 [0,2,0,0,0,0|0,0,0]=2 839 B9R1.69 NC1=CC(Cl)=C(Cl)N=C1 S72510 [0,2,0,0,0,0|2,0,0]=4 840 B9R1.69 NC1=CC(Cl)=CN=C1O S72513 [0,2,0,0,0,0|2,0,0]=4 841 B9R1.69 NC1=CC(Cl)=NC=C1Br Q51923 [0,2,0,0,0,0|0,0,0]=2 842 B9R1.69 NC1=CC(Cl)=NC=C1Cl L22332 [0,2,0,0,0,0|0,0,0]=2 843 B9R1.69 NC1=CC(Cl)=NC=C1F O30323 [0,2,0,0,0,0|0,0,0]=2 844 B9R1.69 NC1=CC(Cl)=NC=C1I G-6822 [0,2,0,0,0,0|0,0,0]=2 845 B9R1.69 NC1=CC(F)=C(F)C=N1 Q62280 [0,2,0,0,0,0|1,0,0]=3 846 B9R1.69 NC1=CC(F)=C(F)N=C1 Q63324 [0,2,0,0,0,0|2,0,0]=4 847 B9R1.69 NC1=CC(F)=CN=C1Br P43187 [0,2,0,0,0,0|2,0,0]=4 848 B9R1.69 NC1=CC(F)=CN=C1Cl O30622 [0,2,0,0,0,0|2,0,0]=4 849 B9R1.69 NC1=CC(F)=NC=C1Br G-7589 [0,2,0,0,0,0|0,0,0]=2 850 B9R1.69 NC1=CC(F)=NC=C1F P51571 [0,2,0,0,0,0|0,0,0]=2 851 B9R1.69 NC1=CC=C(Br)C(N)=N1 C-2939 [0,2,0,0,0,0|2,0,0]=4 852 B9R1.69 NC1=CC=C(Br)N=C1Cl Q68074 [0,2,0,0,0,0|2,0,0]=4 853 B9R1.69 NC1=CC=C(Br)N=C1F P44254 [0,2,0,0,0,0|2,0,0]=4 854 B9R1.69 NC1=CC=C(Br)N=C1N O34248 [0,2,0,0,0,0|2,0,0]=4 855 B9R1.69 NC1=CC=C(Cl)N=C1I 10576 [0,2,0,0,0,0|2,0,0]=4 856 B9R1.69 NC1=CC=C(Cl)N=C1N G-6776 [0,2,0,0,0,0|2,0,0]=4 857 B9R1.69 NC1=CC=C(I)C=C1Br Q67864 [0,2,0,0,0,0|1,0,0]=3 858 B9R1.69 NC1=CN=C(Cl)C=C1O O31011 [0,2,0,0,0,0|1,0,0]=3 859 B9R1.69 NC1=CN=C(Cl)N=C1N O31142 [0,2,0,0,0,0|1,0,0]=3 860 B9R1.69 NC1=CN=C(F)C=C1Br Q63732 [0,2,0,0,0,0|1,0,0]=3 861 B9R1.69 NC1=NC(=O)NC=C1I P42614 [0,2,0,0,0,0|1,0,1]=4 862 B9R1.69 NC1=NC(Br)=C(Cl)C=C1 L14030 [0,2,0,0,0,0|2,0,0]=4 863 B9R1.69 NC1=NC(Br)=C(F)C=C1 Q55819 [0,2,0,0,0,0|2,0,0]=4 864 B9R1.69 NC1=NC(Br)=CC=C1F Q54985 [0,2,0,0,0,0|2,0,0]=4 865 B9R1.69 NC1=NC(Br)=CC=C1O M15631 [0,2,0,0,0,0|2,0,0]=4 866 B9R1.69 NC1=NC(Cl)=CC=C1Br O30393 [0,2,0,0,0,0|2,0,0]=4 867 B9R1.69 NC1=NC(Cl)=NC=C1Br G-7485 [0,2,0,0,0,0|1,0,0]=3 868 B9R1.69 NC1=NC(F)=C(Br)C=C1 S72748 [0,2,0,0,0,0|2,0,0]=4 869 B9R1.69 NC1=NC(F)=C(Br)C=N1 Q55822 [0,2,0,0,0,0|2,0,0]=4 870 B9R1.69 NC1=NC(F)=CC=C1F S72737 [0,2,0,0,0,0|2,0,0]=4 871 B9R1.69 NC1=NC=C(Br)C(Cl)=C1 C-3358 [0,2,0,0,0,0|1,0,0]=3 872 B9R1.69 NC1=NC=C(Br)C(Cl)=N1 L14039 [0,2,0,0,0,0|2,0,0]=4 873 B9R1.69 NC1=NC=C(Br)C(F)=C1 S72747 [0,2,0,0,0,0|1,0,0]=3 874 B9R1.69 NC1=NC=C(Br)C=C1Cl N24326 [0,2,0,0,0,0|2,0,0]=4 875 B9R1.69 NC1=NC=C(Br)C=C1O Q68195 [0,2,0,0,0,0|2,0,0]=4 876 B9R1.69 NC1=NC=C(Cl)C(Cl)=C1 I-9122 [0,2,0,0,0,0|1,0,0]=3 877 B9R1.69 NC1=NC=C(F)C(Cl)=N1 F-4700 [0,2,0,0,0,0|2,0,0]=4 878 B9R1.69 NC1=NC=C(F)C(I)=C1 L13989 [0,2,0,0,0,0|1,0,0]=3 879 B9R1.69 NC1=NC=C(I)C(Cl)=N1 L22328 [0,2,0,0,0,0|2,0,0]=4 880 B9R1.69 NC1=NC=C(I)C=C1Br L13992 [0,2,0,0,0,0|2,0,0]=4 881 B9R1.69 O=C1C=C(Br)C(F)=CN1 Q55599 [0,2,0,0,0,0|1,0,1]=4 882 B9R1.69 O=C1C=C(I)C(Cl)=CN1 Q62365 [0,2,0,0,0,0|1,0,1]=4 883 B9R1.69 O=C1NC(Cl)=NC=C1I Q53553 [0,2,0,0,0,0|2,0,0]=4 884 B9R1.69 OC1=C(Br)C=CC(Br)=C1 N24223 [0,2,0,0,0,0|2,0,0]=4 885 B9R1.69 OC1=C(Cl)N=C(Cl)N=C1 L22025 [0,2,0,0,0,0|2,0,0]=4 886 B9R1.69 OC1=C(F)C=CC(I)=C1 N25346 [0,2,0,0,0,0|2,0,0]=4 887 B9R1.69 OC1=C(I)C=C(Cl)N=C1 O29892 [0,2,0,0,0,0|1,0,0]=3 888 B9R1.69 OC1=CC(Br)=NC=C1Br N25525 [0,2,0,0,0,0|1,0,0]=3 889 B9R1.69 OC1=CC(Br)=NC=C1Cl O31584 [0,2,0,0,0,0|1,0,0]=3 890 B9R1.69 OC1=CC(Br)=NC=C1F O31586 [0,2,0,0,0,0|1,0,0]=3 891 B9R1.69 OC1=CC(Cl)=NC=C1Br N25103 [0,2,0,0,0,0|1,0,0]=3 892 B9R1.69 OC1=CC(Cl)=NC=C1Cl N24559 [0,2,0,0,0,0|1,0,0]=3 893 B9R1.69 OC1=CC(Cl)=NC=C1F N24859 [0,2,0,0,0,0|1,0,0]=3 894 B9R1.69 OC1=CC(Cl)=NC=C1I G-6995 [0,2,0,0,0,0|1,0,0]=3 895 B9R1.69 OC1=CC(I)=CC=C1Br N25131 [0,2,0,0,0,0|2,0,0]=4 896 B9R1.69 OC1=CC=C(F)C(I)=C1 O29325 [0,2,0,0,0,0|2,0,0]=4 897 B9R1.69 OC1=CC=C(O)C(S)=C1 O31512 [0,2,0,0,0,0|2,0,0]=4 898 B9R1.69 OC1=CN=C(F)C=C1Br Q67496 [0,2,0,0,0,0|1,0,0]=3 899 B9R1.69 OC1=CN=C(F)C=C1I N27774 [0,2,0,0,0,0|1,0,0]=3 900 B9R1.3 BrC1=CC=CC(Br)=C1Br N25248 [0,2,0,0,0,0|2,0,0]=4 901 B9R1.3 BrC1=CN=CC(Br)=C1Br Q66738 [0,2,0,0,0,0|1,0,0]=3 902 B9R1.3 BrC1=CN=CC(Br)=C1I Q67392 [0,2,0,0,0,0|1,0,0]=3 903 B9R1.3 CC1=C(Br)C(Cl)=NC=C1 G-5637 [0,2,0,0,0,0|1,0,0]=3 904 B9R1.3 CC1=C(Br)C(F)=NC=C1 N24313 [0,2,0,0,0,0|1,0,0]=3 905 B9R1.3 CC1=C(Br)C(O)=NC=C1 N24633 [0,2,0,0,0,0|1,0,0]=3 906 B9R1.3 CC1=C(Br)C=CC=C1O D-2571 [0,2,0,0,0,0|2,0,0]=4 907 B9R1.3 CC1=C(Br)C=CN=C1Br O31223 [0,2,0,0,0,0|1,0,0]=3 908 B9R1.3 CC1=C(Br)C=CN=C1F N25338 [0,2,0,0,0,0|1,0,0]=3 909 B9R1.3 CC1=C(Br)C=CN=C1N Q62420 [0,2,0,0,0,0|1,0,0]=3 910 B9R1.3 CC1=C(Br)C=CNC1=O L21910 [0,2,0,0,0,0|1,0,1]=4 911 B9R1.3 CC1=C(Br)C=NC=C1Cl Q67578 [0,2,0,0,0,0|1,0,0]=3 912 B9R1.3 CC1=C(Br)C=NC=C1N N25418 [0,2,0,0,0,0|1,0,0]=3 913 B9R1.3 CC1=C(C)C(Br)=CN=C1 N24976 [0,2,0,0,0,0|1,0,0]=3 914 B9R1.3 CC1=C(Cl)C(Br)=NC=C1 N24875 [0,2,0,0,0,0|1,0,0]=3 915 B9R1.3 CC1=C(Cl)C(Cl)=NC=C1 O31102 [0,2,0,0,0,0|1,0,0]=3 916 B9R1.3 CC1=C(Cl)C(F)=NC=C1 Q68534 [0,2,0,0,0,0|1,0,0]=3 917 B9R1.3 CC1=C(Cl)C=CN=C1Br O33512 [0,2,0,0,0,0|1,0,0]=3 918 B9R1.3 CC1=C(Cl)C=NC=C1Cl O29233 [0,2,0,0,0,0|1,0,0]=3 919 B9R1.3 CC1=C(Cl)C=NNC1=O L14892 [0,2,0,0,0,0|2,0,0]=4 920 B9R1.3 CC1=C(F)C(Cl)=NC=C1 Q67344 [0,2,0,0,0,0|1,0,0]=3 921 B9R1.3 CC1=C(F)C(O)=CC=C1 Q67116 [0,2,0,0,0,0|2,0,0]=4 922 B9R1.3 CC1=C(F)C=CN=C1Cl N26307 [0,2,0,0,0,0|1,0,0]=3 923 B9R1.3 CC1=C(F)C=NC=C1Br N25538 [0,2,0,0,0,0|1,0,0]=3 924 B9R1.3 CC1=C(F)N=CN=C1F P51248 [0,2,0,0,0,0|2,0,0]=4 925 B9R1.3 CC1=C(F)N=CN=C1N P51085 [0,2,0,0,0,0|1,0,0]=3 926 B9R1.3 CC1=C(I)C(F)=NC=C1 N27044 [0,2,0,0,0,0|1,0,0]=3 927 B9R1.3 CC1=C(I)C=CN=C1Cl Q66674 [0,2,0,0,0,0|1,0,0]=3 928 B9R1.3 CC1=C(I)C=CN=C1F N24657 [0,2,0,0,0,0|1,0,0]=3 929 B9R1.3 CC1=C(I)C=CNC1=O N25607 [0,2,0,0,0,0|1,0,1]=4 930 B9R1.3 CC1=C(I)C=NC=C1Br N25560 [0,2,0,0,0,0|1,0,0]=3 931 B9R1.3 CC1=C(I)C=NC=C1I Q68666 [0,2,0,0,0,0|1,0,0]=3 932 B9R1.3 CC1=C(N)C(N)=NC=C1 G-5516 [0,2,0,0,0,0|1,0,0]=3 933 B9R1.3 CC1=C(N)C=CN=C1Cl O30198 [0,2,0,0,0,0|0,0,0]=2 934 B9R1.3 CC1=C(N)NC=NC1=O Q58679 [0,2,0,0,0,0|1,0,0]=3 935 B9R1.3 CC1=C(O)C(Br)=CC=C1 Q67176 [0,2,0,0,0,0|2,0,0]=4 936 B9R1.3 CC1=C(O)C(F)=NC=C1 N27712 [0,2,0,0,0,0|1,0,0]=3 937 B9R1.3 CC1=C(O)C=NC=C1Br Q67672 [0,2,0,0,0,0|1,0,0]=3 938 B9R1.3 CC1=CN=CC(Br)=C1N F-4061 [0,2,0,0,0,0|0,0,0]=2 939 B9R1.3 CC1=CN=CC(C)=C1Br O31630 [0,2,0,0,0,0|1,0,0]=3 940 B9R1.3 CC1=CN=CC(C)=C1N O31183 [0,2,0,0,0,0|0,0,0]=2 941 B9R1.3 CC1=CN=CC(O)=C1Br Q62316 [0,2,0,0,0,0|1,0,0]=3 942 B9R1.3 CC1=NC=CC(Br)=C1Cl Q53251 [0,2,0,0,0,0|1,0,0]=3 943 B9R1.3 CC1=NC=CC(Br)=C1N O30398 [0,2,0,0,0,0|1,0,0]=3 944 B9R1.3 CC1=NC=CC(F)=C1Br Q62209 [0,2,0,0,0,0|1,0,0]=3 945 B9R1.3 CC1=NC=CC(N)=C1Br Q62210 [0,2,0,0,0,0|0,0,0]=2 946 B9R1.3 CC1=NC=CC(N)=C1Cl S72517 [0,2,0,0,0,0|0,0,0]=2 947 B9R1.3 CC1=NC=NC(C)=C1Br G-7255 [0,2,0,0,0,0|2,0,0]=4 948 B9R1.3 CN1C=CC=C(N)C1=O C-2273 [0,2,0,0,0,0|2,0,0]=4 949 B9R1.3 CN1C=CC=C(N)C1=O L13547 [0,2,0,0,0,0|2,0,0]=4 950 B9R1.3 ClC1=C(Br)C(Br)=CC=C1 N24120 [0,2,0,0,0,0|2,0,0]=4 951 B9R1.3 ClC1=C(Br)C=NC=C1Br G-7891 [0,2,0,0,0,0|1,0,0]=3 952 B9R1.3 ClC1=C(I)C(Br)=CC=C1 Q67428 [0,2,0,0,0,0|2,0,0]=4 953 B9R1.3 ClC1=CN=CC(Cl)=C1I O29234 [0,2,0,0,0,0|1,0,0]=3 954 B9R1.3 ClC1=NC=CC(Br)=C1I Q66628 [0,2,0,0,0,0|1,0,0]=3 955 B9R1.3 ClC1=NC=CC(Cl)=C1Br Q67606 [0,2,0,0,0,0|1,0,0]=3 956 B9R1.3 ClC1=NC=CC(Cl)=C1Cl N24692 [0,2,0,0,0,0|1,0,0]=3 957 B9R1.3 ClC1=NC=CC(Cl)=C1I Q66870 [0,2,0,0,0,0|1,0,0]=3 958 B9R1.3 ClC1=NC=CC(I)=C1Br N24975 [0,2,0,0,0,0|1,0,0]=3 959 B9R1.3 ClC1=NC=CC(I)=C1Cl Q67118 [0,2,0,0,0,0|1,0,0]=3 960 B9R1.3 ClC1=NC=NC(Cl)=C1I Q53235 [0,2,0,0,0,0|2,0,0]=4 961 B9R1.3 ClC1=NN=CC(Cl)=C1Cl Q51946 [0,2,0,0,0,0|2,0,0]=4 962 B9R1.3 FC1=C(Br)C(Br)=CC=C1 Q66685 [0,2,0,0,0,0|2,0,0]=4 963 B9R1.3 FC1=C(Br)C=CN=C1Cl N26012 [0,2,0,0,0,0|1,0,0]=3 964 B9R1.3 FC1=C(Cl)C=CN=C1Cl N25925 [0,2,0,0,0,0|1,0,0]=3 965 B9R1.3 FC1=C(F)C(Cl)=CC=C1 Q68064 [0,2,0,0,0,0|2,0,0]=4 966 B9R1.3 FC1=C(F)C(Cl)=CC=N1 F-4042 [0,2,0,0,0,0|1,0,0]=3 967 B9R1.3 FC1=C(F)C(I)=CC=N1 F-4111 [0,2,0,0,0,0|1,0,0]=3 968 B9R1.3 FC1=C(I)C(Br)=CC=C1 Q67438 [0,2,0,0,0,0|2,0,0]=4 969 B9R1.3 FC1=C(I)C(Cl)=CC=C1 Q67599 [0,2,0,0,0,0|2,0,0]=4 970 B9R1.3 FC1=C(I)C(Cl)=NC=C1 N25576 [0,2,0,0,0,0|1,0,0]=3 971 B9R1.3 FC1=C(I)C=CN=C1Cl Q66676 [0,2,0,0,0,0|1,0,0]=3 972 B9R1.3 FC1=CC=CC(I)=C1Br N25230 [0,2,0,0,0,0|2,0,0]=4 973 B9R1.3 FC1=CN=CC(Br)=C1Cl N25534 [0,2,0,0,0,0|1,0,0]=3 974 B9R1.3 FC1=CN=CC(F)=C1Br O30371 [0,2,0,0,0,0|1,0,0]=3 975 B9R1.3 FC1=CN=CC(F)=C1Cl L21746 [0,2,0,0,0,0|1,0,0]=3 976 B9R1.3 FC1=CN=CC(F)=C1F Q53719 [0,2,0,0,0,0|1,0,0]=3 977 B9R1.3 FC1=NC=CC(I)=C1Br Q61061 [0,2,0,0,0,0|1,0,0]=3 978 B9R1.3 FC1=NC=CC(I)=C1Cl Q67005 [0,2,0,0,0,0|1,0,0]=3 979 B9R1.3 FC1=NC=NC(F)=C1Br S72699 [0,2,0,0,0,0|2,0,0]=4 980 B9R1.3 NC1=C(Br)C(Cl)=NC=C1 G-7872 [0,2,0,0,0,0|0,0,0]=2 981 B9R1.3 NC1=C(Br)C(F)=NC=C1 G-7771 [0,2,0,0,0,0|0,0,0]=2 982 B9R1.3 NC1=C(Br)C(O)=CC=C1 L13005 [0,2,0,0,0,0|1,0,0]=3 983 B9R1.3 NC1=C(Br)C=NC=C1Br I-9321 [0,2,0,0,0,0|0,0,0]=2 984 B9R1.3 NC1=C(Br)C=NC=C1F O31575 [0,2,0,0,0,0|0,0,0]=2 985 B9R1.3 NC1=C(Cl)C(Cl)=NC=N1 P44475 [0,2,0,0,0,0|1,0,0]=3 986 B9R1.3 NC1=C(Cl)C=CC=C1O P37351 [0,2,0,0,0,0|1,0,0]=3 987 B9R1.3 NC1=C(F)C(=O)NC=C1 Q54920 [0,2,0,0,0,0|0,0,1]=3 988 B9R1.3 NC1=C(F)C(Cl)=NC=C1 P43492 [0,2,0,0,0,0|0,0,0]=2 989 B9R1.3 NC1=C(F)C=NC=C1F O32551 [0,2,0,0,0,0|0,0,0]=2 990 B9R1.3 NC1=C(I)C(Cl)=NC=C1 I-9275 [0,2,0,0,0,0|0,0,0]=2 991 B9R1.3 NC1=C(I)C(O)=CC=C1 O29406 [0,2,0,0,0,0|1,0,0]=3 992 B9R1.3 NC1=C(I)C=NC=C1I O30811 [0,2,0,0,0,0|0,0,0]=2 993 B9R1.3 NC1=C(N)C(Br)=CC=C1 H-8932 [0,2,0,0,0,0|1,0,0]=3 994 B9R1.3 NC1=C(N)C(Br)=NC=C1 O31644 [0,2,0,0,0,0|0,0,0]=2 995 B9R1.3 NC1=C(N)C(Cl)=NC=C1 C-2364 [0,2,0,0,0,0|0,0,0]=2 996 B9R1.3 NC1=C(N)C(O)=NC=C1 Q52368 [0,2,0,0,0,0|0,0,0]=2 997 B9R1.3 NC1=C(O)C(Cl)=NC=N1 Q52848 [0,2,0,0,0,0|1,0,0]=3 998 B9R1.3 NC1=C(O)C=CC=C1Br 10640 [0,2,0,0,0,0|1,0,0]=3 999 B9R1.3 NC1=CC=CC(Cl)=C1I 10780 [0,2,0,0,0,0|1,0,0]=3 1000 B9R1.3 NC1=CC=CC(F)=C1N O31166 [0,2,0,0,0,0|1,0,0]=3 1001 B9R1.3 NC1=CN=CC(Cl)=C1N F-4221 [0,2,0,0,0,0|0,0,0]=2 1002 B9R1.3 NC1=NC=CC(Br)=C1N I-9465 [0,2,0,0,0,0|1,0,0]=3 1003 B9R1.3 NC1=NC=CC(Br)=C1O Q62409 [0,2,0,0,0,0|1,0,0]=3 1004 B9R1.3 NC1=NC=CC(Cl)=C1Cl I-9089 [0,2,0,0,0,0|1,0,0]=3 1005 B9R1.3 NC1=NC=CC(Cl)=C1N C-2327 [0,2,0,0,0,0|1,0,0]=3 1006 B9R1.3 NC1=NC=CC(Cl)=C1O H-8857 [0,2,0,0,0,0|1,0,0]=3 1007 B9R1.3 NC1=NC=CC(F)=C1O Q62440 [0,2,0,0,0,0|1,0,0]=3 1008 B9R1.3 NC1=NC=NC(N)=C1Cl Q69650 [0,2,0,0,0,0|1,0,0]=3 1009 B9R1.3 O=C1C(O)=CNC=C1F L21861 [0,2,0,0,0,0|1,0,1]=4 1010 B9R1.3 O=C1NN=CC(Cl)=C1Br P43857 [0,2,0,0,0,0|2,0,0]=4 1011 B9R1.3 O=C1NN=CC(Cl)=C1Cl G-5698 [0,2,0,0,0,0|2,0,0]=4 1012 B9R1.3 OC1=C(Br)C(Cl)=NC=C1 N25286 [0,2,0,0,0,0|1,0,0]=3 1013 B9R1.3 OC1=C(Br)C=CN=C1Cl N26074 [0,2,0,0,0,0|1,0,0]=3 1014 B9R1.3 OC1=C(Br)C=NC=C1Br P39297 [0,2,0,0,0,0|1,0,0]=3 1015 B9R1.3 OC1=C(Cl)C(Cl)=NC=C1 N24445 [0,2,0,0,0,0|1,0,0]=3 1016 B9R1.3 OC1=C(Cl)C(F)=NC=C1 Q68533 [0,2,0,0,0,0|1,0,0]=3 1017 B9R1.3 OC1=C(Cl)C=CC=C1Br N25029 [0,2,0,0,0,0|2,0,0]=4 1018 B9R1.3 OC1=C(F)C(Br)=NC=C1 O30736 [0,2,0,0,0,0|1,0,0]=3 1019 B9R1.3 OC1=C(F)C(Cl)=NC=C1 O30504 [0,2,0,0,0,0|1,0,0]=3 1020 B9R1.3 OC1=C(F)C(F)=NC=C1 O30199 [0,2,0,0,0,0|1,0,0]=3 1021 B9R1.3 OC1=C(I)C=CC=C1Cl Q68127 [0,2,0,0,0,0|2,0,0]=4 1022 B9R1.3 OC1=C(I)C=CN=C1I G-6976 [0,2,0,0,0,0|1,0,0]=3 1023 B9R1.3 OC1=C(I)C=NC=C1Br L19505 [0,2,0,0,0,0|1,0,0]=3 1024 B9R1.3 OC1=C(I)C=NC=C1I Q68758 [0,2,0,0,0,0|1,0,0]=3 1025 B9R1.3 OC1=CC=CC(Br)=C1F Q67526 [0,2,0,0,0,0|2,0,0]=4 1026 B9R1.3 OC1=CC=CC(Cl)=C1I Q67303 [0,2,0,0,0,0|2,0,0]=4 1027 B9R1.3 OC1=CC=CC(F)=C1Br Q68018 [0,2,0,0,0,0|2,0,0]=4 1028 B9R1.3 OC1=CC=CC(F)=C1Cl G-7116 [0,2,0,0,0,0|2,0,0]=4 1029 B9R1.3 OC1=CC=CC(F)=C1I O29884 [0,2,0,0,0,0|2,0,0]=4 1030 B9R1.3 OC1=NC=NC(Cl)=C1I Q58652 [0,2,0,0,0,0|2,0,0]=4 1031 B9R1.34 BrC1=CC(Br)=NC(Br)=N1 O31889 [0,2,0,0,0,0|2,0,0]=4 1032 B9R1.34 BrC1=CC(I)=CC(Br)=N1 Q69364 [0,2,0,0,0,0|1,0,0]=3 1033 B9R1.34 CC1=CC(=O)NC(O)=C1 C-2468 [0,2,0,0,0,0|1,0,1]=4 1034 B9R1.34 CC1=CC(Br)=CC(=O)O1 Q61435 [0,2,0,0,0,0|2,0,0]=4 1035 B9R1.34 CC1=CC(Br)=CC(C)=N1 O31958 [0,2,0,0,0,0|1,0,0]=3 1036 B9R1.34 CC1=CC(Br)=CC(N)=C1 S70887 [0,2,0,0,0,0|1,0,0]=3 1037 B9R1.34 CC1=CC(Br)=CC(O)=C1 Q67484 [0,2,0,0,0,0|2,0,0]=4 1038 B9R1.34 CC1=CC(Br)=NC(N)=C1 A-695 [0,2,0,0,0,0|1,0,0]=3 1039 B9R1.34 CC1=CC(Cl)=CC(C)=N1 P38625 [0,2,0,0,0,0|1,0,0]=3 1040 B9R1.34 CC1=CC(Cl)=NC(Cl)=C1 C-2285 [0,2,0,0,0,0|1,0,0]=3 1041 B9R1.34 CC1=CC(F)=CC(O)=C1 Q67674 [0,2,0,0,0,0|2,0,0]=4 1042 B9R1.34 CC1=CC(N)=CC(Br)=N1 O30531 [0,2,0,0,0,0|0,0,0]=2 1043 B9R1.34 CC1=CC(N)=NC(=O)N1 Q58668 [0,2,0,0,0,0|1,0,1]=4 1044 B9R1.34 CC1=CC(N)=NC(Cl)=C1 O31107 [0,2,0,0,0,0|1,0,0]=3 1045 B9R1.34 CC1=CC(N)=NC(Cl)=N1 C-3534 [0,2,0,0,0,0|1,0,0]=3 1046 B9R1.34 CC1=NC(C)=NC(Br)=C1 Q53155 [0,2,0,0,0,0|2,0,0]=4 1047 B9R1.34 CC1=NC(Cl)=CC(Br)=C1 L21884 [0,2,0,0,0,0|1,0,0]=3 1048 B9R1.34 CC1=NC(Cl)=CC(N)=C1 L22414 [0,2,0,0,0,0|0,0,0]=2 1049 B9R1.34 CC1=NC(F)=CC(F)=N1 Q58596 [0,2,0,0,0,0|2,0,0]=4 1050 B9R1.34 CC1=NC(N)=CC(Br)=C1 P45515 [0,2,0,0,0,0|1,0,0]=3 1051 B9R1.34 CC1=NC(N)=CC(F)=N1 Q58650 [0,2,0,0,0,0|1,0,0]=3 1052 B9R1.34 ClC1=CC(Br)=CC(Cl)=N1 S72512 [0,2,0,0,0,0|1,0,0]=3 1053 B9R1.34 ClC1=CC(Br)=CC(I)=C1 Q68107 [0,2,0,0,0,0|2,0,0]=4 1054 B9R1.34 ClC1=CC(Cl)=NC(Cl)=C1 G-6630 [0,2,0,0,0,0|1,0,0]=3 1055 B9R1.34 FC1=CC(Br)=CC(F)=N1 Q62348 [0,2,0,0,0,0|1,0,0]=3 1056 B9R1.34 FC1=CC(Br)=CC(I)=C1 Q67990 [0,2,0,0,0,0|2,0,0]=4 1057 B9R1.34 FC1=CC(Cl)=NC(Cl)=N1 Q57203 [0,2,0,0,0,0|2,0,0]=4 1058 B9R1.34 FC1=CC(F)=NC(F)=C1 Q51855 [0,2,0,0,0,0|1,0,0]=3 1059 B9R1.34 FC1=CC(I)=CC(F)=N1 Q66956 [0,2,0,0,0,0|1,0,0]=3 1060 B9R1.34 NC1=CC(=O)N=C(N)N1 Q57214 [0,2,0,0,0,0|1,0,0]=3 1061 B9R1.34 NC1=CC(=O)NC(F)=C1 L21809 [0,2,0,0,0,0|0,0,1]=3 1062 B9R1.34 NC1=CC(Br)=NC(Br)=C1 O30854 [0,2,0,0,0,0|0,0,0]=2 1063 B9R1.34 NC1=CC(F)=CC(Br)=N1 Q62330 [0,2,0,0,0,0|1,0,0]=3 1064 B9R1.34 NC1=CC(F)=NC(F)=C1 L22378 [0,2,0,0,0,0|0,0,0]=2 1065 B9R1.34 NC1=CC(O)=CC(Br)=C1 P43543 [0,2,0,0,0,0|1,0,0]=3 1066 B9R1.34 NC1=CC(O)=NC(Cl)=N1 O34393 [0,2,0,0,0,0|1,0,0]=3 1067 B9R1.34 NC1=NC(Br)=CC(Br)=C1 Q52449 [0,2,0,0,0,0|1,0,0]=3 1068 B9R1.34 NC1=NC(Br)=CC(Br)=N1 C-2962 [0,2,0,0,0,0|2,0,0]=4 1069 B9R1.34 NC1=NC(Cl)=CC(Br)=C1 L14624 [0,2,0,0,0,0|1,0,0]=3 1070 B9R1.34 NC1=NC(Cl)=CC(Cl)=N1 Q57217 [0,2,0,0,0,0|2,0,0]=4 1071 B9R1.34 OC1=CC(Br)=NC(Br)=C1 O30879 [0,2,0,0,0,0|1,0,0]=3 1072 B9R1.34 OC1=CC(Cl)=NC(Cl)=C1 Q68017 [0,2,0,0,0,0|1,0,0]=3 1073 B9R1.34 OC1=CC(O)=CC(Br)=C1 Q68227 [0,2,0,0,0,0|2,0,0]=4 1074 B9R1.34 OC1=CC(O)=CC(F)=C1 N25602 [0,2,0,0,0,0|2,0,0]=4 1075 B5R1.1 C1=COC=N1 G-5929 [1,0,0,0,1,0|1,0,0]=3