0 B7R1.3 Brc1ccccc1 B128157 [0,0,0,0,0,0|2,0,0]=2 1 B7R1.3 C1=C(C=NC=N1)Br B107005 [0,0,0,0,0,0|4,0,0]=4 2 B7R1.3 C1=C(C=NC=N1)N A122551 [0,0,0,0,0,0|3,0,0]=3 3 B7R1.3 C1=C(C=NC=N1)O P175938 [0,0,0,0,0,0|4,0,0]=4 4 B7R1.3 C1=CC(=CN=C1)Br B106977 [0,0,0,0,0,0|3,0,0]=3 5 B7R1.3 C1=CC(=CN=C1)Cl C106490 [0,0,0,0,0,0|3,0,0]=3 6 B7R1.3 C1=CC(=CN=C1)F F119663 [0,0,0,0,0,0|3,0,0]=3 7 B7R1.3 C1=CC(=CN=C1)I I101566 [0,0,0,0,0,0|3,0,0]=3 8 B7R1.3 C1=CC(=CN=C1)N A107134 [0,0,0,0,0,0|2,0,0]=2 9 B7R1.3 C1=CC(=CN=C1)N A107135 [0,0,0,0,0,0|2,0,0]=2 10 B7R1.3 C1=CC(=CN=C1)O H106342 [0,0,0,0,0,0|3,0,0]=3 11 B7R1.3 C1=CC(=CN=C1)O H434905 [0,0,0,0,0,0|3,0,0]=3 12 B7R1.3 C1=CC(=NN=C1)Br B590520 [0,0,0,0,0,0|4,0,0]=4 13 B7R1.3 C1=CC(=NN=C1)Cl C177666 [0,0,0,0,0,0|4,0,0]=4 14 B7R1.3 C1=CC(=NN=C1)N A123467 [0,0,0,0,0,0|3,0,0]=3 15 B7R1.3 C1=CC(=O)NC=C1 H108693 [0,0,0,0,0,0|3,0,0]=3 16 B7R1.3 C1=CC(=O)NC=C1 H421556 [0,0,0,0,0,0|3,0,0]=3 17 B7R1.3 C1=CC(=O)NN=C1 P119352 [0,0,0,0,0,0|4,0,0]=4 18 B7R1.3 C1=CC(=O)OC=C1 A136345 [0,0,0,0,0,0|3,0,0]=3 19 B7R1.3 C1=CC(=S)NC=C1 M101871 [0,0,0,0,0,0|3,0,0]=3 20 B7R1.3 C1=CC=C(C=C1)Br B103388 [0,0,0,0,0,0|2,0,0]=2 21 B7R1.3 C1=CC=C(C=C1)Br B103389 [0,0,0,0,0,0|2,0,0]=2 22 B7R1.3 C1=CC=C(C=C1)Br B103390 [0,0,0,0,0,0|2,0,0]=2 23 B7R1.3 C1=CC=C(C=C1)Br B121294 [0,0,0,0,0,0|2,0,0]=2 24 B7R1.3 C1=CC=C(C=C1)Br B473807 [0,0,0,0,0,0|2,0,0]=2 25 B7R1.3 C1=CC=C(C=C1)Cl C105081 [0,0,0,0,0,0|2,0,0]=2 26 B7R1.3 C1=CC=C(C=C1)Cl C105082 [0,0,0,0,0,0|2,0,0]=2 27 B7R1.3 C1=CC=C(C=C1)Cl C105083 [0,0,0,0,0,0|2,0,0]=2 28 B7R1.3 C1=CC=C(C=C1)Cl C105084 [0,0,0,0,0,0|2,0,0]=2 29 B7R1.3 C1=CC=C(C=C1)Cl C119461 [0,0,0,0,0,0|2,0,0]=2 30 B7R1.3 C1=CC=C(C=C1)Cl C342726 [0,0,0,0,0,0|2,0,0]=2 31 B7R1.3 C1=CC=C(C=C1)Cl C431386 [0,0,0,0,0,0|2,0,0]=2 32 B7R1.3 C1=CC=C(C=C1)Cl C639739 [0,0,0,0,0,0|2,0,0]=2 33 B7R1.3 C1=CC=C(C=C1)F F107096 [0,0,0,0,0,0|2,0,0]=2 34 B7R1.3 C1=CC=C(C=C1)F F107098 [0,0,0,0,0,0|2,0,0]=2 35 B7R1.3 C1=CC=C(C=C1)F F107099 [0,0,0,0,0,0|2,0,0]=2 36 B7R1.3 C1=CC=C(C=C1)F F107100 [0,0,0,0,0,0|2,0,0]=2 37 B7R1.3 C1=CC=C(C=C1)F F128178 [0,0,0,0,0,0|2,0,0]=2 38 B7R1.3 C1=CC=C(C=C1)F F128179 [0,0,0,0,0,0|2,0,0]=2 39 B7R1.3 C1=CC=C(C=C1)I I104581 [0,0,0,0,0,0|2,0,0]=2 40 B7R1.3 C1=CC=C(C=C1)I I104582 [0,0,0,0,0,0|2,0,0]=2 41 B7R1.3 C1=CC=C(C=C1)N A108448 [0,0,0,0,0,0|1,0,0]=1 42 B7R1.3 C1=CC=C(C=C1)N A111640 [0,0,0,0,0,0|1,0,0]=1 43 B7R1.3 C1=CC=C(C=C1)N A112119 [0,0,0,0,0,0|1,0,0]=1 44 B7R1.3 C1=CC=C(C=C1)N A112120 [0,0,0,0,0,0|1,0,0]=1 45 B7R1.3 C1=CC=C(C=C1)N A112122 [0,0,0,0,0,0|1,0,0]=1 46 B7R1.3 C1=CC=C(C=C1)N A112123 [0,0,0,0,0,0|1,0,0]=1 47 B7R1.3 C1=CC=C(C=C1)N A112124 [0,0,0,0,0,0|1,0,0]=1 48 B7R1.3 C1=CC=C(C=C1)N A112125 [0,0,0,0,0,0|1,0,0]=1 49 B7R1.3 C1=CC=C(C=C1)N A117353 [0,0,0,0,0,0|1,0,0]=1 50 B7R1.3 C1=CC=C(C=C1)N A117354 [0,0,0,0,0,0|1,0,0]=1 51 B7R1.3 C1=CC=C(C=C1)N A117355 [0,0,0,0,0,0|1,0,0]=1 52 B7R1.3 C1=CC=C(C=C1)N A121681 [0,0,0,0,0,0|1,0,0]=1 53 B7R1.3 C1=CC=C(C=C1)N A133014 [0,0,0,0,0,0|1,0,0]=1 54 B7R1.3 C1=CC=C(C=C1)N A135834 [0,0,0,0,0,0|1,0,0]=1 55 B7R1.3 C1=CC=C(C=C1)N A151130 [0,0,0,0,0,0|1,0,0]=1 56 B7R1.3 C1=CC=C(C=C1)N A151150 [0,0,0,0,0,0|1,0,0]=1 57 B7R1.3 C1=CC=C(C=C1)N A283803 [0,0,0,0,0,0|1,0,0]=1 58 B7R1.3 C1=CC=C(C=C1)N A344406 [0,0,0,0,0,0|1,0,0]=1 59 B7R1.3 C1=CC=C(C=C1)N P492994 [0,0,0,0,0,0|1,0,0]=1 60 B7R1.3 C1=CC=C(C=C1)N P492999 [0,0,0,0,0,0|1,0,0]=1 61 B7R1.3 C1=CC=C(C=C1)O P100761 [0,0,0,0,0,0|2,0,0]=2 62 B7R1.3 C1=CC=C(C=C1)O P100762 [0,0,0,0,0,0|2,0,0]=2 63 B7R1.3 C1=CC=C(C=C1)O P100765 [0,0,0,0,0,0|2,0,0]=2 64 B7R1.3 C1=CC=C(C=C1)O P100767 [0,0,0,0,0,0|2,0,0]=2 65 B7R1.3 C1=CC=C(C=C1)O P100769 [0,0,0,0,0,0|2,0,0]=2 66 B7R1.3 C1=CC=C(C=C1)O P100770 [0,0,0,0,0,0|2,0,0]=2 67 B7R1.3 C1=CC=C(C=C1)O P121281 [0,0,0,0,0,0|2,0,0]=2 68 B7R1.3 C1=CC=C(C=C1)O P128316 [0,0,0,0,0,0|2,0,0]=2 69 B7R1.3 C1=CC=C(C=C1)O P397150 [0,0,0,0,0,0|2,0,0]=2 70 B7R1.3 C1=CC=C(C=C1)O P472012 [0,0,0,0,0,0|2,0,0]=2 71 B7R1.3 C1=CC=C(C=C1)[O-] P171611 [0,0,0,0,0,0|2,0,0]=2 72 B7R1.3 C1=CC=C(C=C1)[O-] S110499 [0,0,0,0,0,0|2,0,0]=2 73 B7R1.3 C1=CC=C(C=C1)[O-] S190796 [0,0,0,0,0,0|2,0,0]=2 74 B7R1.3 C1=CC=C(C=C1)[S-] C355238 [0,0,0,0,0,0|2,0,0]=2 75 B7R1.3 C1=CC=C(C=C1)[S-] S195897 [0,0,0,0,0,0|2,0,0]=2 76 B7R1.3 C1=CC=C(C=C1)[Se] B121193 [0,0,0,0,0,0|2,0,0]=2 77 B7R1.3 C1=CC=C(C=C1)[Si] P160608 [0,0,0,0,0,0|2,0,0]=2 78 B7R1.3 C1=CC=NC(=C1)Br B109679 [0,0,0,0,0,0|3,0,0]=3 79 B7R1.3 C1=CC=NC(=C1)Cl C104870 [0,0,0,0,0,0|3,0,0]=3 80 B7R1.3 C1=CC=NC(=C1)F F120342 [0,0,0,0,0,0|3,0,0]=3 81 B7R1.3 C1=CC=NC(=C1)I I111393 [0,0,0,0,0,0|3,0,0]=3 82 B7R1.3 C1=CC=NC(=C1)N A105221 [0,0,0,0,0,0|2,0,0]=2 83 B7R1.3 C1=CC=NC(=C1)N A105222 [0,0,0,0,0,0|2,0,0]=2 84 B7R1.3 C1=CC=[N+](C=C1)F F156747 [0,0,0,0,0,0|3,0,0]=3 85 B7R1.3 C1=CC=[N+](C=C1)N A151659 [0,0,0,0,0,0|2,0,0]=2 86 B7R1.3 C1=CC=[N+](C=C1)[O-] P119965 [0,0,0,0,0,0|3,0,0]=3 87 B7R1.3 C1=CC=[N+](C=C1)[O-] P165276 [0,0,0,0,0,0|3,0,0]=3 88 B7R1.3 C1=CN=C(C=N1)Br B135014 [0,0,0,0,0,0|4,0,0]=4 89 B7R1.3 C1=CN=C(C=N1)Cl C124227 [0,0,0,0,0,0|4,0,0]=4 90 B7R1.3 C1=CN=C(C=N1)F F119252 [0,0,0,0,0,0|4,0,0]=4 91 B7R1.3 C1=CN=C(C=N1)I I157423 [0,0,0,0,0,0|4,0,0]=4 92 B7R1.3 C1=CN=C(C=N1)N A111242 [0,0,0,0,0,0|3,0,0]=3 93 B7R1.3 C1=CN=C(N=C1)Br B120301 [0,0,0,0,0,0|4,0,0]=4 94 B7R1.3 C1=CN=C(N=C1)Cl C132282 [0,0,0,0,0,0|4,0,0]=4 95 B7R1.3 C1=CN=C(N=C1)I I404595 [0,0,0,0,0,0|4,0,0]=4 96 B7R1.3 C1=CN=C(N=C1)N A109732 [0,0,0,0,0,0|3,0,0]=3 97 B7R1.3 C1=CN=CC(=O)N1 H134514 [0,0,0,0,0,0|4,0,0]=4 98 B7R1.3 C1=CN=CC(=O)N1 P586771 [0,0,0,0,0,0|4,0,0]=4 99 B7R1.3 C1=CN=CC(=S)N1 M170065 [0,0,0,0,0,0|4,0,0]=4 100 B7R1.3 C1=CN=CC=C1Br B102732 [0,0,0,0,0,0|1,0,0]=1 101 B7R1.3 C1=CN=CC=C1Br B152112 [0,0,0,0,0,0|1,0,0]=1 102 B7R1.3 C1=CN=CC=C1Br B302216 [0,0,0,0,0,0|1,0,0]=1 103 B7R1.3 C1=CN=CC=C1Cl C118400 [0,0,0,0,0,0|1,0,0]=1 104 B7R1.3 C1=CN=CC=C1Cl C119940 [0,0,0,0,0,0|1,0,0]=1 105 B7R1.3 C1=CN=CC=C1I I100877 [0,0,0,0,0,0|1,0,0]=1 106 B7R1.3 C1=CN=CC=C1N A113920 [0,0,0,0,0,0|0,0,0]=0 107 B7R1.3 C1=CN=CN=C1N A151327 [0,0,0,0,0,0|1,0,0]=1 108 B7R1.3 C1=CN=CNC1=O H135948 [0,0,0,0,0,0|2,0,0]=2 109 B7R1.3 C1=CN=CNC1=O P589344 [0,0,0,0,0,0|2,0,0]=2 110 B7R1.3 C1=CN=CNC1=S P587278 [0,0,0,0,0,0|2,0,0]=2 111 B7R1.3 C1=CN=C[N+](=C1)[O-] P338543 [0,0,0,0,0,0|4,0,0]=4 112 B7R1.3 C1=CN=NC(=N1)N A165953 [0,0,0,0,0,0|4,0,0]=4 113 B7R1.3 C1=CN=NC=C1N P132827 [0,0,0,0,0,0|1,0,0]=1 114 B7R1.3 C1=CNC(=O)N=C1 H111812 [0,0,0,0,0,0|4,0,0]=4 115 B7R1.3 C1=CNC(=O)N=C1 P303873 [0,0,0,0,0,0|4,0,0]=4 116 B7R1.3 C1=CNC(=S)N=C1 M158441 [0,0,0,0,0,0|4,0,0]=4 117 B7R1.3 C1=CNC=CC1=O H106341 [0,0,0,0,0,0|1,0,1]=2 118 B7R1.3 C1=CNC=CC1=S M118290 [0,0,0,0,0,0|1,0,1]=2 119 B7R1.3 C1=CNN=CC1=O H191985 [0,0,0,0,0,0|2,0,1]=3 120 B7R1.3 C1=COC=CC1=O H157137 [0,0,0,0,0,0|2,0,0]=2 121 B7R1.3 C1COC(=O)C=C1 D155403 [0,0,0,0,0,0|3,0,1]=4 122 B7R1.3 CC1=CC=CC=C1 T102274 [0,0,0,0,0,0|2,0,0]=2 123 B7R1.3 CC1=CC=CC=C1 T102275 [0,0,0,0,0,0|2,0,0]=2 124 B7R1.3 CC1=CC=CC=C1 T102276 [0,0,0,0,0,0|2,0,0]=2 125 B7R1.3 CC1=CC=CC=C1 T399619 [0,0,0,0,0,0|2,0,0]=2 126 B7R1.3 CC1=CC=CC=C1 T399633 [0,0,0,0,0,0|2,0,0]=2 127 B7R1.3 CC1=CC=CC=C1 T399640 [0,0,0,0,0,0|2,0,0]=2 128 B7R1.3 CC1=CC=CC=C1 T399643 [0,0,0,0,0,0|2,0,0]=2 129 B7R1.3 CC1=CC=CC=C1 T399652 [0,0,0,0,0,0|2,0,0]=2 130 B7R1.3 CC1=CC=CC=C1 T399677 [0,0,0,0,0,0|2,0,0]=2 131 B7R1.3 CC1=CC=CC=C1 T399681 [0,0,0,0,0,0|2,0,0]=2 132 B7R1.3 CC1=CC=CC=N1 M108694 [0,0,0,0,0,0|3,0,0]=3 133 B7R1.3 CC1=CC=CC=N1 M108695 [0,0,0,0,0,0|3,0,0]=3 134 B7R1.3 CC1=CC=CC=N1 P122349 [0,0,0,0,0,0|3,0,0]=3 135 B7R1.3 CC1=CC=NC=C1 P105226 [0,0,0,0,0,0|1,0,0]=1 136 B7R1.3 CC1=CCC=CC1 M113652 [0,0,0,0,0,0|2,0,2]=4 137 B7R1.3 CC1=CN=CC=C1 P109209 [0,0,0,0,0,0|3,0,0]=3 138 B7R1.3 CC1=CN=CC=C1 P109210 [0,0,0,0,0,0|3,0,0]=3 139 B7R1.3 CC1=CN=CN=C1 M132067 [0,0,0,0,0,0|4,0,0]=4 140 B7R1.3 CC1=CN=NC=C1 M157845 [0,0,0,0,0,0|2,0,0]=2 141 B7R1.3 CC1=NC=CN=C1 M158369 [0,0,0,0,0,0|4,0,0]=4 142 B7R1.3 CC1=NC=NC=C1 M134934 [0,0,0,0,0,0|2,0,0]=2 143 B7R1.3 CC1=NN=CC=C1 M131781 [0,0,0,0,0,0|4,0,0]=4 144 B7R1.3 C[N+]1=CC=CC=C1 M302265 [0,0,0,0,0,0|3,0,0]=3 145 B7R1.3 Cc1ccccn1 M141144 [0,0,0,0,0,0|3,0,0]=3 146 B7R1.3 Oc1ccccc1 BWY272999 [0,0,0,0,0,0|2,0,0]=2 147 B7R1.3 Oc1ccccc1 BWY273026 [0,0,0,0,0,0|2,0,0]=2 148 B7R1.3 Oc1ccccc1 P100768 [0,0,0,0,0,0|2,0,0]=2 149 B7R1.3 Oc1ccccc1 P117348 [0,0,0,0,0,0|2,0,0]=2 150 B7R1.3 [CH2-]C1=CC=CC=C1 B465975 [0,0,0,0,0,0|2,0,0]=2 151 B6R1.1 C1=CC=CC=C1 B100912 [1,0,0,0,0,0|1,0,0]=2 152 B6R1.1 C1=CC=CC=C1 B100913 [1,0,0,0,0,0|1,0,0]=2 153 B6R1.1 C1=CC=CC=C1 B100914 [1,0,0,0,0,0|1,0,0]=2 154 B6R1.1 C1=CC=CC=C1 B100918 [1,0,0,0,0,0|1,0,0]=2 155 B6R1.1 C1=CC=CC=C1 B116185 [1,0,0,0,0,0|1,0,0]=2 156 B6R1.1 C1=CC=CC=C1 B116186 [1,0,0,0,0,0|1,0,0]=2 157 B6R1.1 C1=CC=CC=C1 B116187 [1,0,0,0,0,0|1,0,0]=2 158 B6R1.1 C1=CC=CC=C1 B116189 [1,0,0,0,0,0|1,0,0]=2 159 B6R1.1 C1=CC=CC=C1 B116191 [1,0,0,0,0,0|1,0,0]=2 160 B6R1.1 C1=CC=CC=C1 B116193 [1,0,0,0,0,0|1,0,0]=2 161 B6R1.1 C1=CC=CC=C1 B116194 [1,0,0,0,0,0|1,0,0]=2 162 B6R1.1 C1=CC=CC=C1 B117361 [1,0,0,0,0,0|1,0,0]=2 163 B6R1.1 C1=CC=CC=C1 B117363 [1,0,0,0,0,0|1,0,0]=2 164 B6R1.1 C1=CC=CC=C1 B117572 [1,0,0,0,0,0|1,0,0]=2 165 B6R1.1 C1=CC=CC=C1 B118501 [1,0,0,0,0,0|1,0,0]=2 166 B6R1.1 C1=CC=CC=C1 B119755 [1,0,0,0,0,0|1,0,0]=2 167 B6R1.1 C1=CC=CC=C1 B282385 [1,0,0,0,0,0|1,0,0]=2 168 B6R1.1 C1=CC=CC=C1 B464636 [1,0,0,0,0,0|1,0,0]=2 169 B6R1.1 C1=CC=NC=C1 C129172 [1,0,0,0,0,0|0,0,0]=1 170 B6R1.1 C1=CC=NC=C1 C339425 [1,0,0,0,0,0|0,0,0]=1 171 B6R1.1 C1=CC=NC=C1 D351854 [1,0,0,0,0,0|0,0,0]=1 172 B6R1.1 C1=CC=NC=C1 H107606 [1,0,0,0,0,0|0,0,0]=1 173 B6R1.1 C1=CC=NC=C1 P105950 [1,0,0,0,0,0|0,0,0]=1 174 B6R1.1 C1=CC=NC=C1 P111510 [1,0,0,0,0,0|0,0,0]=1 175 B6R1.1 C1=CC=NC=C1 P111511 [1,0,0,0,0,0|0,0,0]=1 176 B6R1.1 C1=CC=NC=C1 P111513 [1,0,0,0,0,0|0,0,0]=1 177 B6R1.1 C1=CC=NC=C1 P111515 [1,0,0,0,0,0|0,0,0]=1 178 B6R1.1 C1=CC=NC=C1 P111516 [1,0,0,0,0,0|0,0,0]=1 179 B6R1.1 C1=CC=NC=C1 P113720 [1,0,0,0,0,0|0,0,0]=1 180 B6R1.1 C1=CC=NC=C1 P113721 [1,0,0,0,0,0|0,0,0]=1 181 B6R1.1 C1=CC=NC=C1 P124051 [1,0,0,0,0,0|0,0,0]=1 182 B6R1.1 C1=CC=NC=C1 P140017 [1,0,0,0,0,0|0,0,0]=1 183 B6R1.1 C1=CC=NC=C1 P141169 [1,0,0,0,0,0|0,0,0]=1 184 B6R1.1 C1=CC=NC=C1 P160647 [1,0,0,0,0,0|0,0,0]=1 185 B6R1.1 C1=CC=NC=C1 P189108 [1,0,0,0,0,0|0,0,0]=1 186 B6R1.1 C1=CC=NC=C1 P333829 [1,0,0,0,0,0|0,0,0]=1 187 B6R1.1 C1=CC=NC=C1 P404936 [1,0,0,0,0,0|0,0,0]=1 188 B6R1.1 C1=CC=NC=C1 P431465 [1,0,0,0,0,0|0,0,0]=1 189 B6R1.1 C1=CC=NC=C1 P598447 [1,0,0,0,0,0|0,0,0]=1 190 B6R1.1 C1=CC=NC=C1 P598617 [1,0,0,0,0,0|0,0,0]=1 191 B6R1.1 C1=CC=NC=C1 P638603 [1,0,0,0,0,0|0,0,0]=1 192 B6R1.1 C1=CC=NC=C1 S106808 [1,0,0,0,0,0|0,0,0]=1 193 B6R1.1 C1=CC=NN=C1 P137565 [1,0,0,0,0,0|1,0,0]=2 194 B6R1.1 C1=CC=[C-]C=C1 D282549 [1,0,0,0,0,0|1,0,0]=2 195 B6R1.1 C1=CC=[C-]C=C1 P344682 [1,0,0,0,0,0|1,0,0]=2 196 B6R1.1 C1=CC=[NH+]C=C1 P124192 [1,0,0,0,0,0|0,0,1]=2 197 B6R1.1 C1=CC=[NH+]C=C1 P494032 [1,0,0,0,0,0|0,0,1]=2 198 B6R1.1 C1=CN=CC=N1 P109613 [1,0,0,0,0,0|1,0,0]=2 199 B6R1.1 C1=CN=CC=N1 P109614 [1,0,0,0,0,0|1,0,0]=2 200 B6R1.1 C1=CN=CC=N1 P346218 [1,0,0,0,0,0|1,0,0]=2 201 B6R1.1 C1=CN=CN=C1 P107069 [1,0,0,0,0,0|1,0,0]=2 202 B6R1.1 C1=CN=CN=C1 P107070 [1,0,0,0,0,0|1,0,0]=2 203 B6R1.1 C1=NC=NC=N1 T162480 [1,0,0,0,0,0|2,0,0]=3 204 B6R1.1 C1=NN=CN=N1 T588596 [1,0,0,0,0,0|3,0,0]=4 205 B6R1.1 C1C=CCC=C1 C109678 [1,0,0,0,0,0|1,0,1]=3 206 B6R1.1 C1CC=CC=C1 C189164 [1,0,0,0,0,0|1,0,1]=3 207 B8R1.2 C#CC1=CC=CC=C1 P107030 [0,1,0,0,0,0|2,0,0]=3 208 B8R1.2 C#CC1=CC=CC=C1 P332820 [0,1,0,0,0,0|2,0,0]=3 209 B8R1.2 C#CC1=CC=CC=N1 E106166 [0,1,0,0,0,0|3,0,0]=4 210 B8R1.2 C#CC1=CC=NC=C1 E115761 [0,1,0,0,0,0|1,0,0]=2 211 B8R1.2 C#CC1=CC=NC=C1 E156047 [0,1,0,0,0,0|1,0,0]=2 212 B8R1.2 C#CC1=CN=CC=C1 E101379 [0,1,0,0,0,0|3,0,0]=4 213 B8R1.2 C1=CC(=CN=C1)C#N N104919 [0,1,0,0,0,0|2,0,1]=4 214 B8R1.2 C1=CC(=CN=C1)C=O P106877 [0,1,0,0,0,0|3,0,0]=4 215 B8R1.2 C1=CC(=CN=C1)CBr B137612 [0,1,0,0,0,0|3,0,0]=4 216 B8R1.2 C1=CC(=CN=C1)CCl P135883 [0,1,0,0,0,0|3,0,0]=4 217 B8R1.2 C1=CC(=CN=C1)CN P160053 [0,1,0,0,0,0|2,0,0]=3 218 B8R1.2 C1=CC(=CN=C1)CO P106580 [0,1,0,0,0,0|3,0,0]=4 219 B8R1.2 C1=CC=C(C=C1)C#N B104457 [0,1,0,0,0,0|1,0,1]=3 220 B8R1.2 C1=CC=C(C=C1)C#N B104458 [0,1,0,0,0,0|1,0,1]=3 221 B8R1.2 C1=CC=C(C=C1)C#N B110114 [0,1,0,0,0,0|1,0,1]=3 222 B8R1.2 C1=CC=C(C=C1)C#N B113726 [0,1,0,0,0,0|1,0,1]=3 223 B8R1.2 C1=CC=C(C=C1)C#N B119686 [0,1,0,0,0,0|1,0,1]=3 224 B8R1.2 C1=CC=C(C=C1)C#N B121683 [0,1,0,0,0,0|1,0,1]=3 225 B8R1.2 C1=CC=C(C=C1)C=O B110459 [0,1,0,0,0,0|2,0,0]=3 226 B8R1.2 C1=CC=C(C=C1)C=O B110460 [0,1,0,0,0,0|2,0,0]=3 227 B8R1.2 C1=CC=C(C=C1)C=O B110463 [0,1,0,0,0,0|2,0,0]=3 228 B8R1.2 C1=CC=C(C=C1)C=O B110464 [0,1,0,0,0,0|2,0,0]=3 229 B8R1.2 C1=CC=C(C=C1)C=O B266083 [0,1,0,0,0,0|2,0,0]=3 230 B8R1.2 C1=CC=C(C=C1)C=O B420281 [0,1,0,0,0,0|2,0,0]=3 231 B8R1.2 C1=CC=C(C=C1)C=O B472001 [0,1,0,0,0,0|2,0,0]=3 232 B8R1.2 C1=CC=C(C=C1)CBr B108549 [0,1,0,0,0,0|2,0,0]=3 233 B8R1.2 C1=CC=C(C=C1)CBr B471999 [0,1,0,0,0,0|2,0,0]=3 234 B8R1.2 C1=CC=C(C=C1)CBr B472021 [0,1,0,0,0,0|2,0,0]=3 235 B8R1.2 C1=CC=C(C=C1)CCl B110580 [0,1,0,0,0,0|2,0,0]=3 236 B8R1.2 C1=CC=C(C=C1)CCl B110581 [0,1,0,0,0,0|2,0,0]=3 237 B8R1.2 C1=CC=C(C=C1)CCl B110582 [0,1,0,0,0,0|2,0,0]=3 238 B8R1.2 C1=CC=C(C=C1)CCl B141153 [0,1,0,0,0,0|2,0,0]=3 239 B8R1.2 C1=CC=C(C=C1)CCl B431204 [0,1,0,0,0,0|2,0,0]=3 240 B8R1.2 C1=CC=C(C=C1)CCl B472028 [0,1,0,0,0,0|2,0,0]=3 241 B8R1.2 C1=CC=C(C=C1)CCl B472041 [0,1,0,0,0,0|2,0,0]=3 242 B8R1.2 C1=CC=C(C=C1)CN A348464 [0,1,0,0,0,0|1,0,0]=2 243 B8R1.2 C1=CC=C(C=C1)CN B108477 [0,1,0,0,0,0|1,0,0]=2 244 B8R1.2 C1=CC=C(C=C1)CN B152179 [0,1,0,0,0,0|1,0,0]=2 245 B8R1.2 C1=CC=C(C=C1)CN B152887 [0,1,0,0,0,0|1,0,0]=2 246 B8R1.2 C1=CC=C(C=C1)CN B152949 [0,1,0,0,0,0|1,0,0]=2 247 B8R1.2 C1=CC=C(C=C1)CN B304428 [0,1,0,0,0,0|1,0,0]=2 248 B8R1.2 C1=CC=C(C=C1)CN B485378 [0,1,0,0,0,0|1,0,0]=2 249 B8R1.2 C1=CC=C(C=C1)CN P493007 [0,1,0,0,0,0|1,0,0]=2 250 B8R1.2 C1=CC=C(C=C1)CN P493016 [0,1,0,0,0,0|1,0,0]=2 251 B8R1.2 C1=CC=C(C=C1)CN P493100 [0,1,0,0,0,0|1,0,0]=2 252 B8R1.2 C1=CC=C(C=C1)CO B108199 [0,1,0,0,0,0|2,0,0]=3 253 B8R1.2 C1=CC=C(C=C1)CO B108202 [0,1,0,0,0,0|2,0,0]=3 254 B8R1.2 C1=CC=C(C=C1)CO B108203 [0,1,0,0,0,0|2,0,0]=3 255 B8R1.2 C1=CC=C(C=C1)CO B108204 [0,1,0,0,0,0|2,0,0]=3 256 B8R1.2 C1=CC=C(C=C1)CO B108205 [0,1,0,0,0,0|2,0,0]=3 257 B8R1.2 C1=CC=C(C=C1)CO B163018 [0,1,0,0,0,0|2,0,0]=3 258 B8R1.2 C1=CC=C(C=C1)CO B346959 [0,1,0,0,0,0|2,0,0]=3 259 B8R1.2 C1=CC=C(C=C1)CO B420278 [0,1,0,0,0,0|2,0,0]=3 260 B8R1.2 C1=CC=C(C=C1)CO B472101 [0,1,0,0,0,0|2,0,0]=3 261 B8R1.2 C1=CC=C(C=C1)CS B109256 [0,1,0,0,0,0|2,0,0]=3 262 B8R1.2 C1=CC=C(C=C1)I=O I157626 [0,1,0,0,0,0|2,0,0]=3 263 B8R1.2 C1=CC=C(C=C1)N=O N159156 [0,1,0,0,0,0|1,0,1]=3 264 B8R1.2 C1=CC=C(C=C1)NN P104684 [0,1,0,0,0,0|1,0,0]=2 265 B8R1.2 C1=CC=C(C=C1)NN P108563 [0,1,0,0,0,0|1,0,0]=2 266 B8R1.2 C1=CC=C(C=C1)NN P112739 [0,1,0,0,0,0|1,0,0]=2 267 B8R1.2 C1=CC=C(C=C1)NN P579459 [0,1,0,0,0,0|1,0,0]=2 268 B8R1.2 C1=CC=C(C=C1)NO N131374 [0,1,0,0,0,0|1,0,0]=2 269 B8R1.2 C1=CC=C(C=C1)ON O464484 [0,1,0,0,0,0|1,0,0]=2 270 B8R1.2 C1=CC=C(C=C1)[As]=O P336440 [0,1,0,0,0,0|1,1,0]=3 271 B8R1.2 C1=CC=C(C=C1)[Hg]Cl P598721 [0,1,0,0,0,0|2,0,0]=3 272 B8R1.2 C1=CC=C(C=C1)[Se]Cl P160704 [0,1,0,0,0,0|2,0,0]=3 273 B8R1.2 C1=CC=NC(=C1)C#N P106583 [0,1,0,0,0,0|2,0,1]=4 274 B8R1.2 C1=CC=NC(=C1)C=O P105912 [0,1,0,0,0,0|3,0,0]=4 275 B8R1.2 C1=CC=NC(=C1)CBr B169474 [0,1,0,0,0,0|3,0,0]=4 276 B8R1.2 C1=CC=NC(=C1)CCl C117226 [0,1,0,0,0,0|3,0,0]=4 277 B8R1.2 C1=CC=NC(=C1)CN P107146 [0,1,0,0,0,0|2,0,0]=3 278 B8R1.2 C1=CC=NC(=C1)CO P106578 [0,1,0,0,0,0|3,0,0]=4 279 B8R1.2 C1=CC=NC(=C1)NN H133458 [0,1,0,0,0,0|2,0,0]=3 280 B8R1.2 C1=CN=C(C=N1)CN P175485 [0,1,0,0,0,0|3,0,0]=4 281 B8R1.2 C1=CN=C(C=N1)NN H176751 [0,1,0,0,0,0|3,0,0]=4 282 B8R1.2 C1=CN=C(N=C1)CN P176301 [0,1,0,0,0,0|3,0,0]=4 283 B8R1.2 C1=CN=C(N=C1)NN H186413 [0,1,0,0,0,0|3,0,0]=4 284 B8R1.2 C1=CN=CC=C1C#N P110335 [0,1,0,0,0,0|0,0,1]=2 285 B8R1.2 C1=CN=CC=C1C=O P105913 [0,1,0,0,0,0|1,0,0]=2 286 B8R1.2 C1=CN=CC=C1CBr B135280 [0,1,0,0,0,0|1,0,0]=2 287 B8R1.2 C1=CN=CC=C1CCl C107154 [0,1,0,0,0,0|1,0,0]=2 288 B8R1.2 C1=CN=CC=C1CN A107215 [0,1,0,0,0,0|0,0,0]=1 289 B8R1.2 C1=CN=CC=C1CN P194376 [0,1,0,0,0,0|0,0,0]=1 290 B8R1.2 C1=CN=CC=C1CO P107414 [0,1,0,0,0,0|1,0,0]=2 291 B8R1.2 C1=CN=CC=C1NN H175681 [0,1,0,0,0,0|0,0,0]=1 292 B8R1.2 C1=CN=CN=C1CO P176166 [0,1,0,0,0,0|2,0,0]=3 293 B8R1.2 C=CC1=CC=CC=C1 A304890 [0,1,0,0,0,0|2,0,0]=3 294 B8R1.2 C=CC1=CC=CC=C1 P107084 [0,1,0,0,0,0|2,0,0]=3 295 B8R1.2 C=CC1=CC=CC=C1 P107085 [0,1,0,0,0,0|2,0,0]=3 296 B8R1.2 C=CC1=CC=CC=C1 P107086 [0,1,0,0,0,0|2,0,0]=3 297 B8R1.2 C=CC1=CC=CC=C1 P107087 [0,1,0,0,0,0|2,0,0]=3 298 B8R1.2 C=CC1=CC=CC=C1 P107088 [0,1,0,0,0,0|2,0,0]=3 299 B8R1.2 C=CC1=CC=CC=C1 P107089 [0,1,0,0,0,0|2,0,0]=3 300 B8R1.2 C=CC1=CC=CC=C1 P107090 [0,1,0,0,0,0|2,0,0]=3 301 B8R1.2 C=CC1=CC=CC=C1 P107091 [0,1,0,0,0,0|2,0,0]=3 302 B8R1.2 C=CC1=CC=CC=C1 P107772 [0,1,0,0,0,0|2,0,0]=3 303 B8R1.2 C=CC1=CC=CC=C1 P107773 [0,1,0,0,0,0|2,0,0]=3 304 B8R1.2 C=CC1=CC=CC=C1 P107774 [0,1,0,0,0,0|2,0,0]=3 305 B8R1.2 C=CC1=CC=CC=C1 P107775 [0,1,0,0,0,0|2,0,0]=3 306 B8R1.2 C=CC1=CC=CC=C1 P107776 [0,1,0,0,0,0|2,0,0]=3 307 B8R1.2 C=CC1=CC=CC=C1 P107777 [0,1,0,0,0,0|2,0,0]=3 308 B8R1.2 C=CC1=CC=CC=C1 P107778 [0,1,0,0,0,0|2,0,0]=3 309 B8R1.2 C=CC1=CC=CC=C1 P107779 [0,1,0,0,0,0|2,0,0]=3 310 B8R1.2 C=CC1=CC=CC=C1 P107780 [0,1,0,0,0,0|2,0,0]=3 311 B8R1.2 C=CC1=CC=CC=C1 P107782 [0,1,0,0,0,0|2,0,0]=3 312 B8R1.2 C=CC1=CC=CC=C1 P107783 [0,1,0,0,0,0|2,0,0]=3 313 B8R1.2 C=CC1=CC=CC=C1 P107784 [0,1,0,0,0,0|2,0,0]=3 314 B8R1.2 C=CC1=CC=CC=C1 P107786 [0,1,0,0,0,0|2,0,0]=3 315 B8R1.2 C=CC1=CC=CC=C1 P107787 [0,1,0,0,0,0|2,0,0]=3 316 B8R1.2 C=CC1=CC=CC=C1 P107789 [0,1,0,0,0,0|2,0,0]=3 317 B8R1.2 C=CC1=CC=CC=C1 P107790 [0,1,0,0,0,0|2,0,0]=3 318 B8R1.2 C=CC1=CC=CC=C1 P107791 [0,1,0,0,0,0|2,0,0]=3 319 B8R1.2 C=CC1=CC=CC=C1 P107792 [0,1,0,0,0,0|2,0,0]=3 320 B8R1.2 C=CC1=CC=CC=C1 P107793 [0,1,0,0,0,0|2,0,0]=3 321 B8R1.2 C=CC1=CC=CC=C1 P107794 [0,1,0,0,0,0|2,0,0]=3 322 B8R1.2 C=CC1=CC=CC=C1 P107795 [0,1,0,0,0,0|2,0,0]=3 323 B8R1.2 C=CC1=CC=CC=C1 P107796 [0,1,0,0,0,0|2,0,0]=3 324 B8R1.2 C=CC1=CC=CC=C1 P107797 [0,1,0,0,0,0|2,0,0]=3 325 B8R1.2 C=CC1=CC=CC=C1 P107798 [0,1,0,0,0,0|2,0,0]=3 326 B8R1.2 C=CC1=CC=CC=C1 P107801 [0,1,0,0,0,0|2,0,0]=3 327 B8R1.2 C=CC1=CC=CC=C1 P107802 [0,1,0,0,0,0|2,0,0]=3 328 B8R1.2 C=CC1=CC=CC=C1 P107803 [0,1,0,0,0,0|2,0,0]=3 329 B8R1.2 C=CC1=CC=CC=C1 P107804 [0,1,0,0,0,0|2,0,0]=3 330 B8R1.2 C=CC1=CC=CC=C1 P107805 [0,1,0,0,0,0|2,0,0]=3 331 B8R1.2 C=CC1=CC=CC=C1 P107806 [0,1,0,0,0,0|2,0,0]=3 332 B8R1.2 C=CC1=CC=CC=C1 P107807 [0,1,0,0,0,0|2,0,0]=3 333 B8R1.2 C=CC1=CC=CC=C1 P107808 [0,1,0,0,0,0|2,0,0]=3 334 B8R1.2 C=CC1=CC=CC=C1 P107809 [0,1,0,0,0,0|2,0,0]=3 335 B8R1.2 C=CC1=CC=CC=C1 P107810 [0,1,0,0,0,0|2,0,0]=3 336 B8R1.2 C=CC1=CC=CC=C1 P107811 [0,1,0,0,0,0|2,0,0]=3 337 B8R1.2 C=CC1=CC=CC=C1 P107812 [0,1,0,0,0,0|2,0,0]=3 338 B8R1.2 C=CC1=CC=CC=C1 P107813 [0,1,0,0,0,0|2,0,0]=3 339 B8R1.2 C=CC1=CC=CC=C1 P107814 [0,1,0,0,0,0|2,0,0]=3 340 B8R1.2 C=CC1=CC=CC=C1 P119494 [0,1,0,0,0,0|2,0,0]=3 341 B8R1.2 C=CC1=CC=CC=C1 P119495 [0,1,0,0,0,0|2,0,0]=3 342 B8R1.2 C=CC1=CC=CC=C1 P119496 [0,1,0,0,0,0|2,0,0]=3 343 B8R1.2 C=CC1=CC=CC=C1 P119498 [0,1,0,0,0,0|2,0,0]=3 344 B8R1.2 C=CC1=CC=CC=C1 P119572 [0,1,0,0,0,0|2,0,0]=3 345 B8R1.2 C=CC1=CC=CC=C1 P304886 [0,1,0,0,0,0|2,0,0]=3 346 B8R1.2 C=CC1=CC=CC=C1 P304889 [0,1,0,0,0,0|2,0,0]=3 347 B8R1.2 C=CC1=CC=CC=C1 P434446 [0,1,0,0,0,0|2,0,0]=3 348 B8R1.2 C=CC1=CC=CC=C1 P434450 [0,1,0,0,0,0|2,0,0]=3 349 B8R1.2 C=CC1=CC=CC=C1 P434455 [0,1,0,0,0,0|2,0,0]=3 350 B8R1.2 C=CC1=CC=CC=C1 P476626 [0,1,0,0,0,0|2,0,0]=3 351 B8R1.2 C=CC1=CC=CC=C1 P490073 [0,1,0,0,0,0|2,0,0]=3 352 B8R1.2 C=CC1=CC=CC=C1 P638578 [0,1,0,0,0,0|2,0,0]=3 353 B8R1.2 C=CC1=CC=CC=C1 S110374 [0,1,0,0,0,0|2,0,0]=3 354 B8R1.2 C=CC1=CC=CC=C1 S110375 [0,1,0,0,0,0|2,0,0]=3 355 B8R1.2 C=CC1=CC=CC=C1 S110376 [0,1,0,0,0,0|2,0,0]=3 356 B8R1.2 C=CC1=CC=CC=C1 S110377 [0,1,0,0,0,0|2,0,0]=3 357 B8R1.2 C=CC1=CC=CC=C1 S110378 [0,1,0,0,0,0|2,0,0]=3 358 B8R1.2 C=CC1=CC=CC=C1 S121282 [0,1,0,0,0,0|2,0,0]=3 359 B8R1.2 C=CC1=CC=CC=N1 V106227 [0,1,0,0,0,0|3,0,0]=4 360 B8R1.2 C=CC1=CC=NC=C1 P303219 [0,1,0,0,0,0|1,0,0]=2 361 B8R1.2 C=CC1=CC=NC=C1 P303220 [0,1,0,0,0,0|1,0,0]=2 362 B8R1.2 C=CC1=CC=NC=C1 P466518 [0,1,0,0,0,0|1,0,0]=2 363 B8R1.2 C=CC1=CC=NC=C1 V105595 [0,1,0,0,0,0|1,0,0]=2 364 B8R1.2 C=CC1=CN=CC=C1 V138030 [0,1,0,0,0,0|3,0,0]=4 365 B8R1.2 CCC1=CC=CC=C1 E108144 [0,1,0,0,0,0|2,0,0]=3 366 B8R1.2 CCC1=CC=CC=C1 E108145 [0,1,0,0,0,0|2,0,0]=3 367 B8R1.2 CCC1=CC=CC=C1 E108146 [0,1,0,0,0,0|2,0,0]=3 368 B8R1.2 CCC1=CC=CC=C1 E108148 [0,1,0,0,0,0|2,0,0]=3 369 B8R1.2 CCC1=CC=CC=C1 E108149 [0,1,0,0,0,0|2,0,0]=3 370 B8R1.2 CCC1=CC=CC=C1 E117364 [0,1,0,0,0,0|2,0,0]=3 371 B8R1.2 CCC1=CC=CC=N1 E156565 [0,1,0,0,0,0|3,0,0]=4 372 B8R1.2 CCC1=CC=NC=C1 E106225 [0,1,0,0,0,0|1,0,0]=2 373 B8R1.2 CCC1=CN=CC=C1 E156048 [0,1,0,0,0,0|3,0,0]=4 374 B8R1.2 CC[N+]1=CC=CC=C1 E102660 [0,1,0,0,0,0|3,0,0]=4 375 B8R1.2 CC[N+]1=CC=CC=C1 E102661 [0,1,0,0,0,0|3,0,0]=4 376 B8R1.2 CNC1=CC=CC=C1 M109539 [0,1,0,0,0,0|1,0,0]=2 377 B8R1.2 CNC1=CC=CC=C1 M109540 [0,1,0,0,0,0|1,0,0]=2 378 B8R1.2 CNC1=CC=CC=N1 M158828 [0,1,0,0,0,0|2,0,0]=3 379 B8R1.2 CNC1=CC=NC=C1 M119978 [0,1,0,0,0,0|0,0,0]=1 380 B8R1.2 CNC1=CN=CC=C1 M158833 [0,1,0,0,0,0|2,0,0]=3 381 B8R1.2 CNC1=NC=CC=N1 N339574 [0,1,0,0,0,0|3,0,0]=4 382 B8R1.2 COC1=CC=CC=C1 A103680 [0,1,0,0,0,0|2,0,0]=3 383 B8R1.2 COC1=CC=CC=C1 A103683 [0,1,0,0,0,0|2,0,0]=3 384 B8R1.2 COC1=CC=CC=C1 A103684 [0,1,0,0,0,0|2,0,0]=3 385 B8R1.2 COC1=CC=CC=C1 A105952 [0,1,0,0,0,0|2,0,0]=3 386 B8R1.2 COC1=CC=CC=C1 A472026 [0,1,0,0,0,0|2,0,0]=3 387 B8R1.2 COC1=CC=CC=N1 M120557 [0,1,0,0,0,0|3,0,0]=4 388 B8R1.2 COC1=CC=NC=C1 M120571 [0,1,0,0,0,0|1,0,0]=2 389 B8R1.2 COC1=CN=CC=C1 M134006 [0,1,0,0,0,0|3,0,0]=4 390 B8R1.2 COC1=NC=NC=C1 M158443 [0,1,0,0,0,0|2,0,0]=3 391 B8R1.2 CSC1=CC=CC=C1 T107511 [0,1,0,0,0,0|2,0,0]=3 392 B8R1.2 CSC1=CC=CC=N1 M132299 [0,1,0,0,0,0|3,0,0]=4 393 B8R1.2 C[Si]C1=CC=CC=C1 M338232 [0,1,0,0,0,0|2,0,0]=3 394 B8R1.2 [C-]#CC1=CC=CC=C1 C282525 [0,1,0,0,0,0|2,0,0]=3 395 B8R1.2 [C-]#CC1=CC=CC=C1 P331408 [0,1,0,0,0,0|2,0,0]=3 396 B8R1.3 C1=C(C=NC(=N1)Br)N A185256 [0,1,0,0,0,0|3,0,0]=4 397 B8R1.3 C1=C(C=NC(=N1)Cl)N A481967 [0,1,0,0,0,0|3,0,0]=4 398 B8R1.3 C1=C(C=NC(=N1)N)Br A123409 [0,1,0,0,0,0|3,0,0]=4 399 B8R1.3 C1=C(C=NC(=N1)N)Cl A113872 [0,1,0,0,0,0|3,0,0]=4 400 B8R1.3 C1=C(C=NC(=N1)N)F A181981 [0,1,0,0,0,0|3,0,0]=4 401 B8R1.3 C1=C(C=NC(=N1)N)I A167314 [0,1,0,0,0,0|3,0,0]=4 402 B8R1.3 C1=C(N=CC(=N1)Br)N A115828 [0,1,0,0,0,0|3,0,0]=4 403 B8R1.3 C1=C(N=CC(=N1)Cl)N A122400 [0,1,0,0,0,0|3,0,0]=4 404 B8R1.3 C1=CC(=CC=C1Br)Br D104691 [0,1,0,0,0,0|2,0,0]=3 405 B8R1.3 C1=CC(=CC=C1Br)Br D104693 [0,1,0,0,0,0|2,0,0]=3 406 B8R1.3 C1=CC(=CC=C1Br)Br D121273 [0,1,0,0,0,0|2,0,0]=3 407 B8R1.3 C1=CC(=CC=C1Br)I B107004 [0,1,0,0,0,0|2,0,0]=3 408 B8R1.3 C1=CC(=CC=C1Cl)Br B106076 [0,1,0,0,0,0|2,0,0]=3 409 B8R1.3 C1=CC(=CC=C1Cl)Br B106077 [0,1,0,0,0,0|2,0,0]=3 410 B8R1.3 C1=CC(=CC=C1Cl)Cl D104666 [0,1,0,0,0,0|2,0,0]=3 411 B8R1.3 C1=CC(=CC=C1Cl)Cl D104668 [0,1,0,0,0,0|2,0,0]=3 412 B8R1.3 C1=CC(=CC=C1Cl)Cl D104670 [0,1,0,0,0,0|2,0,0]=3 413 B8R1.3 C1=CC(=CC=C1Cl)Cl D104676 [0,1,0,0,0,0|2,0,0]=3 414 B8R1.3 C1=CC(=CC=C1Cl)Cl D115108 [0,1,0,0,0,0|2,0,0]=3 415 B8R1.3 C1=CC(=CC=C1Cl)Cl D123306 [0,1,0,0,0,0|2,0,0]=3 416 B8R1.3 C1=CC(=CC=C1Cl)I C101940 [0,1,0,0,0,0|2,0,0]=3 417 B8R1.3 C1=CC(=CC=C1F)Br B107758 [0,1,0,0,0,0|2,0,0]=3 418 B8R1.3 C1=CC(=CC=C1F)Cl C122649 [0,1,0,0,0,0|2,0,0]=3 419 B8R1.3 C1=CC(=CC=C1F)F D113734 [0,1,0,0,0,0|2,0,0]=3 420 B8R1.3 C1=CC(=CC=C1F)I F100907 [0,1,0,0,0,0|2,0,0]=3 421 B8R1.3 C1=CC(=CC=C1F)S F101761 [0,1,0,0,0,0|2,0,0]=3 422 B8R1.3 C1=CC(=CC=C1I)I D111116 [0,1,0,0,0,0|2,0,0]=3 423 B8R1.3 C1=CC(=CC=C1N)Br B103946 [0,1,0,0,0,0|1,0,0]=2 424 B8R1.3 C1=CC(=CC=C1N)Cl C103934 [0,1,0,0,0,0|1,0,0]=2 425 B8R1.3 C1=CC(=CC=C1N)Cl C103935 [0,1,0,0,0,0|1,0,0]=2 426 B8R1.3 C1=CC(=CC=C1N)Cl C103936 [0,1,0,0,0,0|1,0,0]=2 427 B8R1.3 C1=CC(=CC=C1N)Cl C103945 [0,1,0,0,0,0|1,0,0]=2 428 B8R1.3 C1=CC(=CC=C1N)Cl C141217 [0,1,0,0,0,0|1,0,0]=2 429 B8R1.3 C1=CC(=CC=C1N)F F103204 [0,1,0,0,0,0|1,0,0]=2 430 B8R1.3 C1=CC(=CC=C1N)F F404104 [0,1,0,0,0,0|1,0,0]=2 431 B8R1.3 C1=CC(=CC=C1N)F F404490 [0,1,0,0,0,0|1,0,0]=2 432 B8R1.3 C1=CC(=CC=C1N)I I107029 [0,1,0,0,0,0|1,0,0]=2 433 B8R1.3 C1=CC(=CC=C1N)N D117081 [0,1,0,0,0,0|1,0,0]=2 434 B8R1.3 C1=CC(=CC=C1N)N P108424 [0,1,0,0,0,0|1,0,0]=2 435 B8R1.3 C1=CC(=CC=C1N)N P108425 [0,1,0,0,0,0|1,0,0]=2 436 B8R1.3 C1=CC(=CC=C1N)N P108426 [0,1,0,0,0,0|1,0,0]=2 437 B8R1.3 C1=CC(=CC=C1N)N P128784 [0,1,0,0,0,0|1,0,0]=2 438 B8R1.3 C1=CC(=CC=C1N)N P292856 [0,1,0,0,0,0|1,0,0]=2 439 B8R1.3 C1=CC(=CC=C1N)N P302258 [0,1,0,0,0,0|1,0,0]=2 440 B8R1.3 C1=CC(=CC=C1N)N p115806 [0,1,0,0,0,0|1,0,0]=2 441 B8R1.3 C1=CC(=CC=C1N)O A100496 [0,1,0,0,0,0|1,0,0]=2 442 B8R1.3 C1=CC(=CC=C1N)O A110564 [0,1,0,0,0,0|1,0,0]=2 443 B8R1.3 C1=CC(=CC=C1N)O A110566 [0,1,0,0,0,0|1,0,0]=2 444 B8R1.3 C1=CC(=CC=C1N)S A107494 [0,1,0,0,0,0|1,0,0]=2 445 B8R1.3 C1=CC(=CC=C1N)S A163041 [0,1,0,0,0,0|1,0,0]=2 446 B8R1.3 C1=CC(=CC=C1O)Br B100691 [0,1,0,0,0,0|2,0,0]=3 447 B8R1.3 C1=CC(=CC=C1O)Br B100692 [0,1,0,0,0,0|2,0,0]=3 448 B8R1.3 C1=CC(=CC=C1O)Cl C108253 [0,1,0,0,0,0|2,0,0]=3 449 B8R1.3 C1=CC(=CC=C1O)Cl C108254 [0,1,0,0,0,0|2,0,0]=3 450 B8R1.3 C1=CC(=CC=C1O)Cl C108255 [0,1,0,0,0,0|2,0,0]=3 451 B8R1.3 C1=CC(=CC=C1O)Cl C108256 [0,1,0,0,0,0|2,0,0]=3 452 B8R1.3 C1=CC(=CC=C1O)F F107127 [0,1,0,0,0,0|2,0,0]=3 453 B8R1.3 C1=CC(=CC=C1O)I I107037 [0,1,0,0,0,0|2,0,0]=3 454 B8R1.3 C1=CC(=CC=C1O)O H108945 [0,1,0,0,0,0|2,0,0]=3 455 B8R1.3 C1=CC(=CC=C1O)O H108946 [0,1,0,0,0,0|2,0,0]=3 456 B8R1.3 C1=CC(=CC=C1O)O H108947 [0,1,0,0,0,0|2,0,0]=3 457 B8R1.3 C1=CC(=CC=C1O)O H431621 [0,1,0,0,0,0|2,0,0]=3 458 B8R1.3 C1=CC(=CC=C1O)S M101786 [0,1,0,0,0,0|2,0,0]=3 459 B8R1.3 C1=CC(=CC=C1S)Br B101773 [0,1,0,0,0,0|2,0,0]=3 460 B8R1.3 C1=CC(=CC=C1S)Cl C101766 [0,1,0,0,0,0|2,0,0]=3 461 B8R1.3 C1=CC(=CC=C1S)S B151928 [0,1,0,0,0,0|2,0,0]=3 462 B8R1.3 C1=CC(=NC=C1Br)Br D101561 [0,1,0,0,0,0|3,0,0]=4 463 B8R1.3 C1=CC(=NC=C1Br)Cl B123411 [0,1,0,0,0,0|3,0,0]=4 464 B8R1.3 C1=CC(=NC=C1Br)F B110259 [0,1,0,0,0,0|3,0,0]=4 465 B8R1.3 C1=CC(=NC=C1Br)I B120792 [0,1,0,0,0,0|3,0,0]=4 466 B8R1.3 C1=CC(=NC=C1Br)N A101197 [0,1,0,0,0,0|2,0,0]=3 467 B8R1.3 C1=CC(=NC=C1Cl)Br B102594 [0,1,0,0,0,0|3,0,0]=4 468 B8R1.3 C1=CC(=NC=C1Cl)Cl D120567 [0,1,0,0,0,0|3,0,0]=4 469 B8R1.3 C1=CC(=NC=C1Cl)F C110260 [0,1,0,0,0,0|3,0,0]=4 470 B8R1.3 C1=CC(=NC=C1Cl)I C168964 [0,1,0,0,0,0|3,0,0]=4 471 B8R1.3 C1=CC(=NC=C1Cl)N A107183 [0,1,0,0,0,0|2,0,0]=3 472 B8R1.3 C1=CC(=NC=C1F)Br B111195 [0,1,0,0,0,0|3,0,0]=4 473 B8R1.3 C1=CC(=NC=C1F)Cl C102598 [0,1,0,0,0,0|3,0,0]=4 474 B8R1.3 C1=CC(=NC=C1F)F D124342 [0,1,0,0,0,0|3,0,0]=4 475 B8R1.3 C1=CC(=NC=C1F)I F181837 [0,1,0,0,0,0|3,0,0]=4 476 B8R1.3 C1=CC(=NC=C1F)N A101607 [0,1,0,0,0,0|2,0,0]=3 477 B8R1.3 C1=CC(=NC=C1I)Br B122970 [0,1,0,0,0,0|3,0,0]=4 478 B8R1.3 C1=CC(=NC=C1I)Cl C119410 [0,1,0,0,0,0|3,0,0]=4 479 B8R1.3 C1=CC(=NC=C1I)F F119657 [0,1,0,0,0,0|3,0,0]=4 480 B8R1.3 C1=CC(=NC=C1I)I D166168 [0,1,0,0,0,0|3,0,0]=4 481 B8R1.3 C1=CC(=NC=C1I)N A129106 [0,1,0,0,0,0|2,0,0]=3 482 B8R1.3 C1=CC(=NC=C1N)Br A101199 [0,1,0,0,0,0|2,0,0]=3 483 B8R1.3 C1=CC(=NC=C1N)Cl A124240 [0,1,0,0,0,0|2,0,0]=3 484 B8R1.3 C1=CC(=NC=C1N)F A119632 [0,1,0,0,0,0|2,0,0]=3 485 B8R1.3 C1=CC(=NC=C1N)I A588630 [0,1,0,0,0,0|2,0,0]=3 486 B8R1.3 C1=CC(=NC=C1N)N D134973 [0,1,0,0,0,0|2,0,0]=3 487 B8R1.3 C1=CC(=NC=C1N)N D135606 [0,1,0,0,0,0|2,0,0]=3 488 B8R1.3 C1=CC(=NC=C1O)Br B102604 [0,1,0,0,0,0|3,0,0]=4 489 B8R1.3 C1=CC(=NC=C1O)Br B399634 [0,1,0,0,0,0|3,0,0]=4 490 B8R1.3 C1=CC(=NC=C1O)Cl C102603 [0,1,0,0,0,0|3,0,0]=4 491 B8R1.3 C1=CC(=NC=C1O)F F102601 [0,1,0,0,0,0|3,0,0]=4 492 B8R1.3 C1=CC(=NC=C1O)N A185200 [0,1,0,0,0,0|2,0,0]=3 493 B8R1.3 C1=CC(=NN=C1N)Br B177923 [0,1,0,0,0,0|3,0,0]=4 494 B8R1.3 C1=CC(=NN=C1N)Cl C113874 [0,1,0,0,0,0|3,0,0]=4 495 B8R1.3 C1=CC(=O)C=CC1=O B108670 [0,1,0,0,0,0|2,0,0]=3 496 B8R1.3 C1=CC(=O)C=CC1=O B108671 [0,1,0,0,0,0|2,0,0]=3 497 B8R1.3 C1=CC(=O)C=CC1=O B108672 [0,1,0,0,0,0|2,0,0]=3 498 B8R1.3 C1=CC(=O)C=CC1=O Q104677 [0,1,0,0,0,0|2,0,0]=3 499 B8R1.3 C1=CC(=O)NC=C1Br B152104 [0,1,0,0,0,0|3,0,0]=4 500 B8R1.3 C1=CC(=O)NC=C1Cl C136324 [0,1,0,0,0,0|3,0,0]=4 501 B8R1.3 C1=CC(=O)NC=C1F F102599 [0,1,0,0,0,0|3,0,0]=4 502 B8R1.3 C1=CC(=O)NC=C1I W131730 [0,1,0,0,0,0|3,0,0]=4 503 B8R1.3 C1=CC(=O)NC=C1N A120454 [0,1,0,0,0,0|2,0,0]=3 504 B8R1.3 C1=C[N+](=CC=C1Cl)[O-] C124261 [0,1,0,0,0,0|1,0,1]=3 505 B8R1.3 C1=C[N+](=O)C=CN1[O-] P348162 [0,1,0,0,0,0|2,0,1]=4 506 B8R1.3 CC1=CC=C(C=C1)Br B108900 [0,1,0,0,0,0|2,0,0]=3 507 B8R1.3 CC1=CC=C(C=C1)C X103333 [0,1,0,0,0,0|2,0,0]=3 508 B8R1.3 CC1=CC=C(C=C1)C X103334 [0,1,0,0,0,0|2,0,0]=3 509 B8R1.3 CC1=CC=C(C=C1)C X103336 [0,1,0,0,0,0|2,0,0]=3 510 B8R1.3 CC1=CC=C(C=C1)C X103338 [0,1,0,0,0,0|2,0,0]=3 511 B8R1.3 CC1=CC=C(C=C1)C X103339 [0,1,0,0,0,0|2,0,0]=3 512 B8R1.3 CC1=CC=C(C=C1)C X103342 [0,1,0,0,0,0|2,0,0]=3 513 B8R1.3 CC1=CC=C(C=C1)C X119715 [0,1,0,0,0,0|2,0,0]=3 514 B8R1.3 CC1=CC=C(C=C1)C X128149 [0,1,0,0,0,0|2,0,0]=3 515 B8R1.3 CC1=CC=C(C=C1)Cl C104628 [0,1,0,0,0,0|2,0,0]=3 516 B8R1.3 CC1=CC=C(C=C1)Cl C104629 [0,1,0,0,0,0|2,0,0]=3 517 B8R1.3 CC1=CC=C(C=C1)Cl C113011 [0,1,0,0,0,0|2,0,0]=3 518 B8R1.3 CC1=CC=C(C=C1)Cl C113012 [0,1,0,0,0,0|2,0,0]=3 519 B8R1.3 CC1=CC=C(C=C1)Cl C128161 [0,1,0,0,0,0|2,0,0]=3 520 B8R1.3 CC1=CC=C(C=C1)F F107110 [0,1,0,0,0,0|2,0,0]=3 521 B8R1.3 CC1=CC=C(C=C1)I I118363 [0,1,0,0,0,0|2,0,0]=3 522 B8R1.3 CC1=CC=C(C=C1)N T108450 [0,1,0,0,0,0|1,0,0]=2 523 B8R1.3 CC1=CC=C(C=C1)N T108451 [0,1,0,0,0,0|1,0,0]=2 524 B8R1.3 CC1=CC=C(C=C1)N T111232 [0,1,0,0,0,0|1,0,0]=2 525 B8R1.3 CC1=CC=C(C=C1)O C108248 [0,1,0,0,0,0|2,0,0]=3 526 B8R1.3 CC1=CC=C(C=C1)O C108249 [0,1,0,0,0,0|2,0,0]=3 527 B8R1.3 CC1=CC=C(C=C1)O C108250 [0,1,0,0,0,0|2,0,0]=3 528 B8R1.3 CC1=CC=C(C=C1)O C108251 [0,1,0,0,0,0|2,0,0]=3 529 B8R1.3 CC1=CC=C(C=C1)O C108252 [0,1,0,0,0,0|2,0,0]=3 530 B8R1.3 CC1=CC=C(C=C1)O C108640 [0,1,0,0,0,0|2,0,0]=3 531 B8R1.3 CC1=CC=C(C=C1)O C108641 [0,1,0,0,0,0|2,0,0]=3 532 B8R1.3 CC1=CC=C(C=C1)O C128202 [0,1,0,0,0,0|2,0,0]=3 533 B8R1.3 CC1=CC=C(C=C1)S T109389 [0,1,0,0,0,0|2,0,0]=3 534 B8R1.3 CC1=CC=[N+](C=C1)C D588274 [0,1,0,0,0,0|1,0,1]=3 535 B8R1.3 CC1=CC=[N+](C=C1)[O-] M158852 [0,1,0,0,0,0|1,0,1]=3 536 B8R1.3 CC1=CN=C(C=C1)Br B120720 [0,1,0,0,0,0|3,0,0]=4 537 B8R1.3 CC1=CN=C(C=C1)C L111803 [0,1,0,0,0,0|3,0,0]=4 538 B8R1.3 CC1=CN=C(C=C1)Cl C122971 [0,1,0,0,0,0|3,0,0]=4 539 B8R1.3 CC1=CN=C(C=C1)F F120713 [0,1,0,0,0,0|3,0,0]=4 540 B8R1.3 CC1=CN=C(C=C1)N A107505 [0,1,0,0,0,0|2,0,0]=3 541 B8R1.3 CC1=CN=C(C=N1)N M133886 [0,1,0,0,0,0|3,0,0]=4 542 B8R1.3 CC1=CNC(=O)C=C1 H107715 [0,1,0,0,0,0|3,0,0]=4 543 B8R1.3 CC1=CNC(=S)C=C1 M405751 [0,1,0,0,0,0|3,0,0]=4 544 B8R1.3 CC1=NC=C(C=C1)Br B123445 [0,1,0,0,0,0|3,0,0]=4 545 B8R1.3 CC1=NC=C(C=C1)Cl C186235 [0,1,0,0,0,0|3,0,0]=4 546 B8R1.3 CC1=NC=C(C=C1)F F489688 [0,1,0,0,0,0|3,0,0]=4 547 B8R1.3 CC1=NC=C(C=C1)N A103049 [0,1,0,0,0,0|2,0,0]=3 548 B8R1.3 CC1=NC=C(C=C1)O H156935 [0,1,0,0,0,0|3,0,0]=4 549 B8R1.3 CC1=NC=C(C=N1)N M176382 [0,1,0,0,0,0|3,0,0]=4 550 B8R1.3 CC1=[C-]C=C(C=C1)F F579402 [0,1,0,0,0,0|2,0,1]=4 551 B8R1.4 C1=C(C=NC=C1Br)Br D115760 [0,1,0,0,0,0|3,0,0]=4 552 B8R1.4 C1=C(C=NC=C1Br)Cl B107720 [0,1,0,0,0,0|3,0,0]=4 553 B8R1.4 C1=C(C=NC=C1Br)F B102596 [0,1,0,0,0,0|3,0,0]=4 554 B8R1.4 C1=C(C=NC=C1Br)N A121802 [0,1,0,0,0,0|2,0,0]=3 555 B8R1.4 C1=C(C=NC=C1Br)O B107719 [0,1,0,0,0,0|3,0,0]=4 556 B8R1.4 C1=C(C=NC=C1Cl)Cl D119975 [0,1,0,0,0,0|3,0,0]=4 557 B8R1.4 C1=C(C=NC=C1Cl)F C184888 [0,1,0,0,0,0|3,0,0]=4 558 B8R1.4 C1=C(C=NC=C1Cl)N A124231 [0,1,0,0,0,0|2,0,0]=3 559 B8R1.4 C1=C(C=NC=C1Cl)O C102606 [0,1,0,0,0,0|3,0,0]=4 560 B8R1.4 C1=C(C=NC=C1F)F D186227 [0,1,0,0,0,0|3,0,0]=4 561 B8R1.4 C1=C(C=NC=C1F)N A119622 [0,1,0,0,0,0|2,0,0]=3 562 B8R1.4 C1=C(C=NC=C1F)O F102605 [0,1,0,0,0,0|3,0,0]=4 563 B8R1.4 C1=C(C=NC=C1I)Br W132849 [0,1,0,0,0,0|3,0,0]=4 564 B8R1.4 C1=C(C=NC=C1I)Cl C135299 [0,1,0,0,0,0|3,0,0]=4 565 B8R1.4 C1=C(C=NC=C1I)F F186443 [0,1,0,0,0,0|3,0,0]=4 566 B8R1.4 C1=C(C=NC=C1N)N P193393 [0,1,0,0,0,0|2,0,0]=3 567 B8R1.4 C1=C(C=NC=C1O)O P588846 [0,1,0,0,0,0|3,0,0]=4 568 B8R1.4 C1=C(C=NN=C1Cl)Cl D154249 [0,1,0,0,0,0|2,0,0]=3 569 B8R1.4 C1=C(C=NNC1=O)Cl C589812 [0,1,0,0,0,0|2,0,1]=4 570 B8R1.4 C1=C(N=C(C=N1)Cl)N A123436 [0,1,0,0,0,0|3,0,0]=4 571 B8R1.4 C1=C(N=CN=C1Br)Br D138750 [0,1,0,0,0,0|2,0,0]=3 572 B8R1.4 C1=C(N=CN=C1Cl)Cl D106524 [0,1,0,0,0,0|2,0,0]=3 573 B8R1.4 C1=C(N=CN=C1Cl)N A101736 [0,1,0,0,0,0|1,0,0]=2 574 B8R1.4 C1=C(N=CN=C1F)F D478925 [0,1,0,0,0,0|2,0,0]=3 575 B8R1.4 C1=C(N=CN=C1I)I D168291 [0,1,0,0,0,0|2,0,0]=3 576 B8R1.4 C1=C(N=CN=C1N)N D123503 [0,1,0,0,0,0|1,0,0]=2 577 B8R1.4 C1=C(N=CNC1=O)Br B179335 [0,1,0,0,0,0|2,0,0]=3 578 B8R1.4 C1=C(N=CNC1=O)Cl C136624 [0,1,0,0,0,0|2,0,0]=3 579 B8R1.4 C1=C(N=CNC1=O)N A138085 [0,1,0,0,0,0|1,0,1]=3 580 B8R1.4 C1=C(N=CNC1=O)O D111105 [0,1,0,0,0,0|2,0,0]=3 581 B8R1.4 C1=C(NC(=O)N=C1)N C104336 [0,1,0,0,0,0|1,0,0]=2 582 B8R1.4 C1=C(NC(=O)N=C1)N C425633 [0,1,0,0,0,0|1,0,0]=2 583 B8R1.4 C1=C(NC(=S)N=C1)N T169649 [0,1,0,0,0,0|1,0,0]=2 584 B8R1.4 C1=CC(=CC(=C1)Br)Br D110983 [0,1,0,0,0,0|2,0,0]=3 585 B8R1.4 C1=CC(=CC(=C1)Br)Cl B106999 [0,1,0,0,0,0|2,0,0]=3 586 B8R1.4 C1=CC(=CC(=C1)Br)F B109686 [0,1,0,0,0,0|2,0,0]=3 587 B8R1.4 C1=CC(=CC(=C1)Br)N B103950 [0,1,0,0,0,0|1,0,0]=2 588 B8R1.4 C1=CC(=CC(=C1)Br)O B106994 [0,1,0,0,0,0|2,0,0]=3 589 B8R1.4 C1=CC(=CC(=C1)Br)O B106995 [0,1,0,0,0,0|2,0,0]=3 590 B8R1.4 C1=CC(=CC(=C1)Br)S B106987 [0,1,0,0,0,0|2,0,0]=3 591 B8R1.4 C1=CC(=CC(=C1)Cl)Cl D108531 [0,1,0,0,0,0|2,0,0]=3 592 B8R1.4 C1=CC(=CC(=C1)Cl)Cl D108532 [0,1,0,0,0,0|2,0,0]=3 593 B8R1.4 C1=CC(=CC(=C1)Cl)Cl D108536 [0,1,0,0,0,0|2,0,0]=3 594 B8R1.4 C1=CC(=CC(=C1)Cl)Cl D108538 [0,1,0,0,0,0|2,0,0]=3 595 B8R1.4 C1=CC(=CC(=C1)Cl)F C120580 [0,1,0,0,0,0|2,0,0]=3 596 B8R1.4 C1=CC(=CC(=C1)Cl)N C103948 [0,1,0,0,0,0|1,0,0]=2 597 B8R1.4 C1=CC(=CC(=C1)Cl)O C104273 [0,1,0,0,0,0|2,0,0]=3 598 B8R1.4 C1=CC(=CC(=C1)Cl)O C104276 [0,1,0,0,0,0|2,0,0]=3 599 B8R1.4 C1=CC(=CC(=C1)Cl)S C101765 [0,1,0,0,0,0|2,0,0]=3 600 B8R1.4 C1=CC(=CC(=C1)F)F D154172 [0,1,0,0,0,0|2,0,0]=3 601 B8R1.4 C1=CC(=CC(=C1)F)N F107123 [0,1,0,0,0,0|1,0,0]=2 602 B8R1.4 C1=CC(=CC(=C1)F)O F120588 [0,1,0,0,0,0|2,0,0]=3 603 B8R1.4 C1=CC(=CC(=C1)I)Br B103587 [0,1,0,0,0,0|2,0,0]=3 604 B8R1.4 C1=CC(=CC(=C1)I)Cl C124310 [0,1,0,0,0,0|2,0,0]=3 605 B8R1.4 C1=CC(=CC(=C1)I)F F115539 [0,1,0,0,0,0|2,0,0]=3 606 B8R1.4 C1=CC(=CC(=C1)I)I D185637 [0,1,0,0,0,0|2,0,0]=3 607 B8R1.4 C1=CC(=CC(=C1)I)N I103150 [0,1,0,0,0,0|1,0,0]=2 608 B8R1.4 C1=CC(=CC(=C1)I)O I103144 [0,1,0,0,0,0|2,0,0]=3 609 B8R1.4 C1=CC(=CC(=C1)N)N P101105 [0,1,0,0,0,0|1,0,0]=2 610 B8R1.4 C1=CC(=CC(=C1)N)N P111631 [0,1,0,0,0,0|1,0,0]=2 611 B8R1.4 C1=CC(=CC(=C1)N)N P111632 [0,1,0,0,0,0|1,0,0]=2 612 B8R1.4 C1=CC(=CC(=C1)N)N P113284 [0,1,0,0,0,0|1,0,0]=2 613 B8R1.4 C1=CC(=CC(=C1)O)N A108481 [0,1,0,0,0,0|1,0,0]=2 614 B8R1.4 C1=CC(=CC(=C1)O)N A108482 [0,1,0,0,0,0|1,0,0]=2 615 B8R1.4 C1=CC(=CC(=C1)O)N A113896 [0,1,0,0,0,0|1,0,0]=2 616 B8R1.4 C1=CC(=CC(=C1)O)N A301746 [0,1,0,0,0,0|1,0,0]=2 617 B8R1.4 C1=CC(=CC(=C1)O)O R111662 [0,1,0,0,0,0|2,0,0]=3 618 B8R1.4 C1=CC(=CC(=C1)O)O R111663 [0,1,0,0,0,0|2,0,0]=3 619 B8R1.4 C1=CC(=CC(=C1)S)F F101760 [0,1,0,0,0,0|2,0,0]=3 620 B8R1.4 C1=CC(=CC(=C1)S)N A107495 [0,1,0,0,0,0|1,0,0]=2 621 B8R1.4 C1=CC(=CC(=C1)S)O M101785 [0,1,0,0,0,0|2,0,0]=3 622 B8R1.4 C1=CC(=CC(=C1)S)S B152749 [0,1,0,0,0,0|2,0,0]=3 623 B8R1.4 C1=CC(=C[N+](=C1)[O-])Cl C340348 [0,1,0,0,0,0|3,0,0]=4 624 B8R1.4 C1=CC(=C[N+](=C1)[O-])F F136706 [0,1,0,0,0,0|3,0,0]=4 625 B8R1.4 C1=CC(=C[N+](=C1)[O-])O H137661 [0,1,0,0,0,0|3,0,0]=4 626 B8R1.4 C1=CC(=NC(=C1)Br)Br D101563 [0,1,0,0,0,0|3,0,0]=4 627 B8R1.4 C1=CC(=NC(=C1)Br)Cl B136352 [0,1,0,0,0,0|3,0,0]=4 628 B8R1.4 C1=CC(=NC(=C1)Br)F B119637 [0,1,0,0,0,0|3,0,0]=4 629 B8R1.4 C1=CC(=NC(=C1)Br)N A119408 [0,1,0,0,0,0|2,0,0]=3 630 B8R1.4 C1=CC(=NC(=C1)Cl)Cl D105924 [0,1,0,0,0,0|3,0,0]=4 631 B8R1.4 C1=CC(=NC(=C1)Cl)F C182701 [0,1,0,0,0,0|3,0,0]=4 632 B8R1.4 C1=CC(=NC(=C1)Cl)N A101565 [0,1,0,0,0,0|2,0,0]=3 633 B8R1.4 C1=CC(=NC(=C1)F)F D124337 [0,1,0,0,0,0|3,0,0]=4 634 B8R1.4 C1=CC(=NC(=C1)F)N F132264 [0,1,0,0,0,0|2,0,0]=3 635 B8R1.4 C1=CC(=NC(=C1)I)Br B120455 [0,1,0,0,0,0|3,0,0]=4 636 B8R1.4 C1=CC(=NC(=C1)I)Cl C169092 [0,1,0,0,0,0|3,0,0]=4 637 B8R1.4 C1=CC(=NC(=C1)I)N I195545 [0,1,0,0,0,0|2,0,0]=3 638 B8R1.4 C1=CC(=NC(=C1)N)N D106446 [0,1,0,0,0,0|2,0,0]=3 639 B8R1.4 C1=CC(=O)NC(=C1)Br B151966 [0,1,0,0,0,0|3,0,0]=4 640 B8R1.4 C1=CC(=O)NC(=C1)Cl C153927 [0,1,0,0,0,0|3,0,0]=4 641 B8R1.4 C1=CC(=O)NC(=C1)F F184843 [0,1,0,0,0,0|3,0,0]=4 642 B8R1.4 C1=CC(=O)NC(=C1)N A184895 [0,1,0,0,0,0|2,0,0]=3 643 B8R1.4 C1=CC(=O)NC(=C1)N A589594 [0,1,0,0,0,0|2,0,0]=3 644 B8R1.4 C1=CC(=O)NC(=C1)O D165567 [0,1,0,0,0,0|3,0,0]=4 645 B8R1.4 C1=CN=C(C=C1Br)Br D124330 [0,1,0,0,0,0|1,0,0]=2 646 B8R1.4 C1=CN=C(C=C1Br)Cl B102595 [0,1,0,0,0,0|1,0,0]=2 647 B8R1.4 C1=CN=C(C=C1Br)F B120712 [0,1,0,0,0,0|1,0,0]=2 648 B8R1.4 C1=CN=C(C=C1Br)N A123368 [0,1,0,0,0,0|1,0,0]=2 649 B8R1.4 C1=CN=C(C=C1Cl)Br B120784 [0,1,0,0,0,0|1,0,0]=2 650 B8R1.4 C1=CN=C(C=C1Cl)Cl D154414 [0,1,0,0,0,0|1,0,0]=2 651 B8R1.4 C1=CN=C(C=C1Cl)F C183922 [0,1,0,0,0,0|1,0,0]=2 652 B8R1.4 C1=CN=C(C=C1Cl)I C192180 [0,1,0,0,0,0|1,0,0]=2 653 B8R1.4 C1=CN=C(C=C1Cl)N A107902 [0,1,0,0,0,0|1,0,0]=2 654 B8R1.4 C1=CN=C(C=C1F)Br B119636 [0,1,0,0,0,0|1,0,0]=2 655 B8R1.4 C1=CN=C(C=C1F)Cl C119640 [0,1,0,0,0,0|1,0,0]=2 656 B8R1.4 C1=CN=C(C=C1F)F D124339 [0,1,0,0,0,0|1,0,0]=2 657 B8R1.4 C1=CN=C(C=C1F)N F178407 [0,1,0,0,0,0|1,0,0]=2 658 B8R1.4 C1=CN=C(C=C1I)Br B120725 [0,1,0,0,0,0|1,0,0]=2 659 B8R1.4 C1=CN=C(C=C1I)Cl C120719 [0,1,0,0,0,0|1,0,0]=2 660 B8R1.4 C1=CN=C(C=C1I)F F120711 [0,1,0,0,0,0|1,0,0]=2 661 B8R1.4 C1=CN=C(C=C1I)N I176775 [0,1,0,0,0,0|1,0,0]=2 662 B8R1.4 C1=CN=C(C=C1N)Br A103014 [0,1,0,0,0,0|0,0,0]=1 663 B8R1.4 C1=CN=C(C=C1N)Cl A107152 [0,1,0,0,0,0|0,0,0]=1 664 B8R1.4 C1=CN=C(C=C1N)F A137501 [0,1,0,0,0,0|0,0,0]=1 665 B8R1.4 C1=CN=C(N=C1Br)Cl B590540 [0,1,0,0,0,0|2,0,0]=3 666 B8R1.4 C1=CN=C(N=C1Cl)Br B177979 [0,1,0,0,0,0|2,0,0]=3 667 B8R1.4 C1=CN=C(N=C1Cl)Cl D103228 [0,1,0,0,0,0|2,0,0]=3 668 B8R1.4 C1=CN=C(N=C1Cl)N A119322 [0,1,0,0,0,0|2,0,0]=3 669 B8R1.4 C1=CN=C(N=C1F)F D169237 [0,1,0,0,0,0|2,0,0]=3 670 B8R1.4 C1=CN=C(N=C1I)Cl C588981 [0,1,0,0,0,0|2,0,0]=3 671 B8R1.4 C1=CN=C(N=C1N)Cl A123454 [0,1,0,0,0,0|1,0,0]=2 672 B8R1.4 C1=CN=C(N=C1N)N D155135 [0,1,0,0,0,0|1,0,0]=2 673 B8R1.4 C1=CN=C(NC1=O)Cl C193933 [0,1,0,0,0,0|2,0,0]=3 674 B8R1.4 C1=CN=C(NC1=O)N I122417 [0,1,0,0,0,0|2,0,0]=3 675 B8R1.4 C1=CNC(=CC1=O)Br B184069 [0,1,0,0,0,0|1,0,1]=3 676 B8R1.4 C1=CNC(=CC1=O)Cl C153940 [0,1,0,0,0,0|1,0,1]=3 677 B8R1.4 C1=CNC(=CC1=O)F F192141 [0,1,0,0,0,0|1,0,1]=3 678 B8R1.4 C1=CNC(=CC1=O)N A124105 [0,1,0,0,0,0|1,0,1]=3 679 B8R1.4 C1=CNC(=O)C=C1Br B129073 [0,1,0,0,0,0|1,0,1]=3 680 B8R1.4 C1=CNC(=O)C=C1Cl C153941 [0,1,0,0,0,0|1,0,1]=3 681 B8R1.4 C1=CNC(=O)C=C1F F188894 [0,1,0,0,0,0|1,0,1]=3 682 B8R1.4 C1=CNC(=O)C=C1N A176346 [0,1,0,0,0,0|0,0,1]=2 683 B8R1.4 C1=CNC(=O)C=C1O D110324 [0,1,0,0,0,0|1,0,1]=3 684 B8R1.4 C1=CNC(=O)NC1=O U102087 [0,1,0,0,0,0|2,0,1]=4 685 B8R1.4 C1=CNC(=O)NC1=O U102088 [0,1,0,0,0,0|2,0,1]=4 686 B8R1.4 C1=CNC(=O)NC1=O U128370 [0,1,0,0,0,0|2,0,1]=4 687 B8R1.4 C1=CNC(=O)NC1=O U333796 [0,1,0,0,0,0|2,0,1]=4 688 B8R1.4 C1=CNC(=O)NC1=O U425336 [0,1,0,0,0,0|2,0,1]=4 689 B8R1.4 C1=CNC(=S)NC1=O T106704 [0,1,0,0,0,0|2,0,1]=4 690 B8R1.4 C1=CNC(=S)NC1=O T106705 [0,1,0,0,0,0|2,0,1]=4 691 B8R1.4 C1=CNC(=S)NC1=S D101888 [0,1,0,0,0,0|2,0,1]=4 692 B8R1.4 C1=NC(=NC(=N1)Cl)Cl D155511 [0,1,0,0,0,0|3,0,0]=4 693 B8R1.4 C1=NC(=NC(=N1)N)N D155489 [0,1,0,0,0,0|2,0,0]=3 694 B8R1.4 C1=NC(=O)NC(=N1)N A101376 [0,1,0,0,0,0|2,0,0]=3 695 B8R1.4 C1=NC(=O)NC(=O)N1 T304463 [0,1,0,0,0,0|3,0,0]=4 696 B8R1.4 C1CC(=CC(=O)C1)N A136183 [0,1,0,0,0,0|1,0,2]=4 697 B8R1.4 CC1=CC(=CC=C1)Br B104640 [0,1,0,0,0,0|2,0,0]=3 698 B8R1.4 CC1=CC(=CC=C1)C X103345 [0,1,0,0,0,0|2,0,0]=3 699 B8R1.4 CC1=CC(=CC=C1)C X103348 [0,1,0,0,0,0|2,0,0]=3 700 B8R1.4 CC1=CC(=CC=C1)C X103350 [0,1,0,0,0,0|2,0,0]=3 701 B8R1.4 CC1=CC(=CC=C1)C X119707 [0,1,0,0,0,0|2,0,0]=3 702 B8R1.4 CC1=CC(=CC=C1)Cl C104627 [0,1,0,0,0,0|2,0,0]=3 703 B8R1.4 CC1=CC(=CC=C1)F F123650 [0,1,0,0,0,0|2,0,0]=3 704 B8R1.4 CC1=CC(=CC=C1)I I102000 [0,1,0,0,0,0|2,0,0]=3 705 B8R1.4 CC1=CC(=CC=C1)N M158301 [0,1,0,0,0,0|1,0,0]=2 706 B8R1.4 CC1=CC(=CC=C1)N T110548 [0,1,0,0,0,0|1,0,0]=2 707 B8R1.4 CC1=CC(=CC=C1)N T110549 [0,1,0,0,0,0|1,0,0]=2 708 B8R1.4 CC1=CC(=CC=C1)N T110550 [0,1,0,0,0,0|1,0,0]=2 709 B8R1.4 CC1=CC(=CC=C1)O C108242 [0,1,0,0,0,0|2,0,0]=3 710 B8R1.4 CC1=CC(=CC=C1)O C108243 [0,1,0,0,0,0|2,0,0]=3 711 B8R1.4 CC1=CC(=CC=C1)O C108245 [0,1,0,0,0,0|2,0,0]=3 712 B8R1.4 CC1=CC(=CC=C1)O C108246 [0,1,0,0,0,0|2,0,0]=3 713 B8R1.4 CC1=CC(=CC=C1)O C108247 [0,1,0,0,0,0|2,0,0]=3 714 B8R1.4 CC1=CC(=CC=C1)S M100575 [0,1,0,0,0,0|2,0,0]=3 715 B8R1.4 CC1=CC(=CN=C1)Br B120789 [0,1,0,0,0,0|3,0,0]=4 716 B8R1.4 CC1=CC(=CN=C1)C L106291 [0,1,0,0,0,0|3,0,0]=4 717 B8R1.4 CC1=CC(=CN=C1)Cl C191816 [0,1,0,0,0,0|3,0,0]=4 718 B8R1.4 CC1=CC(=CN=C1)F F184385 [0,1,0,0,0,0|3,0,0]=4 719 B8R1.4 CC1=CC(=CN=C1)N A134931 [0,1,0,0,0,0|2,0,0]=3 720 B8R1.4 CC1=CC(=CN=C1)O H129072 [0,1,0,0,0,0|3,0,0]=4 721 B8R1.4 CC1=CC(=C[C-]=C1)C D140723 [0,1,0,0,0,0|2,0,1]=4 722 B8R1.4 CC1=CC(=NC=C1)Br B115781 [0,1,0,0,0,0|1,0,0]=2 723 B8R1.4 CC1=CC(=NC=C1)C L109206 [0,1,0,0,0,0|1,0,0]=2 724 B8R1.4 CC1=CC(=NC=C1)Cl C119971 [0,1,0,0,0,0|1,0,0]=2 725 B8R1.4 CC1=CC(=NC=C1)F F138875 [0,1,0,0,0,0|1,0,0]=2 726 B8R1.4 CC1=CC(=NC=C1)N A107213 [0,1,0,0,0,0|1,0,0]=2 727 B8R1.4 CC1=CC(=NC=C1)N A107214 [0,1,0,0,0,0|1,0,0]=2 728 B8R1.4 CC1=CC(=NC=N1)C W132404 [0,1,0,0,0,0|2,0,0]=3 729 B8R1.4 CC1=CC(=NN=C1)Cl C590591 [0,1,0,0,0,0|2,0,0]=3 730 B8R1.4 CC1=CC(=O)NC=C1 H115748 [0,1,0,0,0,0|1,0,1]=3 731 B8R1.4 CC1=CC(=O)NC=N1 H587427 [0,1,0,0,0,0|2,0,0]=3 732 B8R1.4 CC1=CC(=O)NC=N1 W133669 [0,1,0,0,0,0|2,0,0]=3 733 B8R1.4 CC1=CC(=S)NC=C1 M404771 [0,1,0,0,0,0|1,0,1]=3 734 B8R1.4 CC1=CC=CC(=O)N1 H107721 [0,1,0,0,0,0|3,0,0]=4 735 B8R1.4 CC1=CC=CC(=S)N1 M168093 [0,1,0,0,0,0|3,0,0]=4 736 B8R1.4 CC1=CC=NC(=O)N1 H138956 [0,1,0,0,0,0|2,0,0]=3 737 B8R1.4 CC1=CC=NC(=S)N1 M139190 [0,1,0,0,0,0|2,0,0]=3 738 B8R1.4 CC1=CN=CC(=N1)N A185169 [0,1,0,0,0,0|3,0,0]=4 739 B8R1.4 CC1=C[N+](=CC=C1)[O-] M124329 [0,1,0,0,0,0|3,0,0]=4 740 B8R1.4 CC1=NC(=CC=C1)Br B101571 [0,1,0,0,0,0|3,0,0]=4 741 B8R1.4 CC1=NC(=CC=C1)C L105811 [0,1,0,0,0,0|3,0,0]=4 742 B8R1.4 CC1=NC(=CC=C1)C L105812 [0,1,0,0,0,0|3,0,0]=4 743 B8R1.4 CC1=NC(=CC=C1)Cl C124344 [0,1,0,0,0,0|3,0,0]=4 744 B8R1.4 CC1=NC(=CC=C1)F F119659 [0,1,0,0,0,0|3,0,0]=4 745 B8R1.4 CC1=NC(=CC=C1)N A107178 [0,1,0,0,0,0|2,0,0]=3 746 B8R1.4 CC1=NC(=NC=C1)Br B123490 [0,1,0,0,0,0|2,0,0]=3 747 B8R1.4 CC1=NC(=NC=C1)Cl C120475 [0,1,0,0,0,0|2,0,0]=3 748 B8R1.4 CC1=NC(=NC=C1)N A115152 [0,1,0,0,0,0|2,0,0]=3 749 B8R1.4 CC1=NC=CC(=C1)Br B120727 [0,1,0,0,0,0|1,0,0]=2 750 B8R1.4 CC1=NC=CC(=C1)Br B591103 [0,1,0,0,0,0|1,0,0]=2 751 B8R1.4 CC1=NC=CC(=C1)Cl C133675 [0,1,0,0,0,0|1,0,0]=2 752 B8R1.4 CC1=NC=CC(=C1)N A103053 [0,1,0,0,0,0|0,0,0]=1 753 B8R1.4 CC1=NC=CC(=N1)Cl C153539 [0,1,0,0,0,0|2,0,0]=3 754 B8R1.4 CC1=NC=CC(=N1)N M194871 [0,1,0,0,0,0|1,0,0]=2 755 B8R1.4 CC1=NC=CC(=O)N1 M191883 [0,1,0,0,0,0|2,0,0]=3 756 B8R1.4 O=C1NC(=S)NC=C1 T409049 [0,1,0,0,0,0|2,0,1]=4 757 B8R1.4 Oc1cccc(O)c1 R111664 [0,1,0,0,0,0|2,0,0]=3 758 B8R1.5 C1=C(C(=CN=N1)Br)N B589482 [0,1,0,0,0,0|1,0,0]=2 759 B8R1.5 C1=C(C(=NC=N1)Cl)Cl D194423 [0,1,0,0,0,0|2,0,0]=3 760 B8R1.5 C1=C(C(=NC=N1)Cl)N A151271 [0,1,0,0,0,0|2,0,0]=3 761 B8R1.5 C1=C(C(=NC=N1)N)N D138191 [0,1,0,0,0,0|1,0,0]=2 762 B8R1.5 C1=C(C(=O)NC=N1)Br B175462 [0,1,0,0,0,0|2,0,0]=3 763 B8R1.5 C1=C(C(=O)NN=C1)Cl C174888 [0,1,0,0,0,0|2,0,0]=3 764 B8R1.5 C1=CC(=C(N=C1)Br)Br D138175 [0,1,0,0,0,0|3,0,0]=4 765 B8R1.5 C1=CC(=C(N=C1)Br)Cl B139493 [0,1,0,0,0,0|3,0,0]=4 766 B8R1.5 C1=CC(=C(N=C1)Br)F B119634 [0,1,0,0,0,0|3,0,0]=4 767 B8R1.5 C1=CC(=C(N=C1)Br)I B120728 [0,1,0,0,0,0|3,0,0]=4 768 B8R1.5 C1=CC(=C(N=C1)Br)N A151581 [0,1,0,0,0,0|2,0,0]=3 769 B8R1.5 C1=CC(=C(N=C1)Br)O B110249 [0,1,0,0,0,0|3,0,0]=4 770 B8R1.5 C1=CC(=C(N=C1)Cl)Br B102592 [0,1,0,0,0,0|3,0,0]=4 771 B8R1.5 C1=CC(=C(N=C1)Cl)Cl D119974 [0,1,0,0,0,0|3,0,0]=4 772 B8R1.5 C1=CC(=C(N=C1)Cl)F C102597 [0,1,0,0,0,0|3,0,0]=4 773 B8R1.5 C1=CC(=C(N=C1)Cl)I C120717 [0,1,0,0,0,0|3,0,0]=4 774 B8R1.5 C1=CC(=C(N=C1)Cl)N A151576 [0,1,0,0,0,0|2,0,0]=3 775 B8R1.5 C1=CC(=C(N=C1)Cl)O C110320 [0,1,0,0,0,0|3,0,0]=4 776 B8R1.5 C1=CC(=C(N=C1)F)Br B120726 [0,1,0,0,0,0|3,0,0]=4 777 B8R1.5 C1=CC(=C(N=C1)F)Cl C119644 [0,1,0,0,0,0|3,0,0]=4 778 B8R1.5 C1=CC(=C(N=C1)F)F D124348 [0,1,0,0,0,0|3,0,0]=4 779 B8R1.5 C1=CC(=C(N=C1)F)I F120738 [0,1,0,0,0,0|3,0,0]=4 780 B8R1.5 C1=CC(=C(N=C1)F)N A119619 [0,1,0,0,0,0|2,0,0]=3 781 B8R1.5 C1=CC(=C(N=C1)F)O F102619 [0,1,0,0,0,0|3,0,0]=4 782 B8R1.5 C1=CC(=C(N=C1)I)F F131983 [0,1,0,0,0,0|3,0,0]=4 783 B8R1.5 C1=CC(=C(N=C1)I)O I119977 [0,1,0,0,0,0|3,0,0]=4 784 B8R1.5 C1=CC(=C(N=C1)N)Br A167068 [0,1,0,0,0,0|2,0,0]=3 785 B8R1.5 C1=CC(=C(N=C1)N)Cl A133692 [0,1,0,0,0,0|2,0,0]=3 786 B8R1.5 C1=CC(=C(N=C1)N)F W133179 [0,1,0,0,0,0|2,0,0]=3 787 B8R1.5 C1=CC(=C(N=C1)N)I A123901 [0,1,0,0,0,0|2,0,0]=3 788 B8R1.5 C1=CC(=C(N=C1)N)N D103174 [0,1,0,0,0,0|2,0,0]=3 789 B8R1.5 C1=CC(=C(N=C1)N)O A101241 [0,1,0,0,0,0|2,0,0]=3 790 B8R1.5 C1=CC(=C(N=C1)N)O A493500 [0,1,0,0,0,0|2,0,0]=3 791 B8R1.5 C1=CC(=N)N(C=C1)O A151660 [0,1,0,0,0,0|2,0,1]=4 792 B8R1.5 C1=CC(=O)N(C=C1)O P103097 [0,1,0,0,0,0|3,0,0]=4 793 B8R1.5 C1=CC(=S)N(C=C1)O M158842 [0,1,0,0,0,0|3,0,0]=4 794 B8R1.5 C1=CC(=S)N(C=C1)[O-] B302941 [0,1,0,0,0,0|3,0,0]=4 795 B8R1.5 C1=CC(=S)N(C=C1)[O-] M111101 [0,1,0,0,0,0|3,0,0]=4 796 B8R1.5 C1=CC(=S)N(C=C1)[O-] M111102 [0,1,0,0,0,0|3,0,0]=4 797 B8R1.5 C1=CC=C(C(=C1)Br)Br D107944 [0,1,0,0,0,0|2,0,0]=3 798 B8R1.5 C1=CC=C(C(=C1)Br)I B118364 [0,1,0,0,0,0|2,0,0]=3 799 B8R1.5 C1=CC=C(C(=C1)Cl)Br B111197 [0,1,0,0,0,0|2,0,0]=3 800 B8R1.5 C1=CC=C(C(=C1)Cl)Br B111198 [0,1,0,0,0,0|2,0,0]=3 801 B8R1.5 C1=CC=C(C(=C1)Cl)Cl D102257 [0,1,0,0,0,0|2,0,0]=3 802 B8R1.5 C1=CC=C(C(=C1)Cl)Cl D108132 [0,1,0,0,0,0|2,0,0]=3 803 B8R1.5 C1=CC=C(C(=C1)Cl)Cl D108133 [0,1,0,0,0,0|2,0,0]=3 804 B8R1.5 C1=CC=C(C(=C1)Cl)Cl D108134 [0,1,0,0,0,0|2,0,0]=3 805 B8R1.5 C1=CC=C(C(=C1)Cl)Cl D108135 [0,1,0,0,0,0|2,0,0]=3 806 B8R1.5 C1=CC=C(C(=C1)Cl)Cl D108140 [0,1,0,0,0,0|2,0,0]=3 807 B8R1.5 C1=CC=C(C(=C1)Cl)Cl D108143 [0,1,0,0,0,0|2,0,0]=3 808 B8R1.5 C1=CC=C(C(=C1)Cl)Cl D119675 [0,1,0,0,0,0|2,0,0]=3 809 B8R1.5 C1=CC=C(C(=C1)Cl)I C102013 [0,1,0,0,0,0|2,0,0]=3 810 B8R1.5 C1=CC=C(C(=C1)F)Br B113794 [0,1,0,0,0,0|2,0,0]=3 811 B8R1.5 C1=CC=C(C(=C1)F)Cl C120578 [0,1,0,0,0,0|2,0,0]=3 812 B8R1.5 C1=CC=C(C(=C1)F)Cl C128181 [0,1,0,0,0,0|2,0,0]=3 813 B8R1.5 C1=CC=C(C(=C1)F)F D155287 [0,1,0,0,0,0|2,0,0]=3 814 B8R1.5 C1=CC=C(C(=C1)F)I F103134 [0,1,0,0,0,0|2,0,0]=3 815 B8R1.5 C1=CC=C(C(=C1)F)S F101759 [0,1,0,0,0,0|2,0,0]=3 816 B8R1.5 C1=CC=C(C(=C1)I)I D136973 [0,1,0,0,0,0|2,0,0]=3 817 B8R1.5 C1=CC=C(C(=C1)N)Br B108449 [0,1,0,0,0,0|1,0,0]=2 818 B8R1.5 C1=CC=C(C(=C1)N)Br B405677 [0,1,0,0,0,0|1,0,0]=2 819 B8R1.5 C1=CC=C(C(=C1)N)Cl C103931 [0,1,0,0,0,0|1,0,0]=2 820 B8R1.5 C1=CC=C(C(=C1)N)Cl C103932 [0,1,0,0,0,0|1,0,0]=2 821 B8R1.5 C1=CC=C(C(=C1)N)Cl C153888 [0,1,0,0,0,0|1,0,0]=2 822 B8R1.5 C1=CC=C(C(=C1)N)F F107841 [0,1,0,0,0,0|1,0,0]=2 823 B8R1.5 C1=CC=C(C(=C1)N)I I100873 [0,1,0,0,0,0|1,0,0]=2 824 B8R1.5 C1=CC=C(C(=C1)N)N P100830 [0,1,0,0,0,0|1,0,0]=2 825 B8R1.5 C1=CC=C(C(=C1)N)N P103811 [0,1,0,0,0,0|1,0,0]=2 826 B8R1.5 C1=CC=C(C(=C1)N)N P103813 [0,1,0,0,0,0|1,0,0]=2 827 B8R1.5 C1=CC=C(C(=C1)N)N P107882 [0,1,0,0,0,0|1,0,0]=2 828 B8R1.5 C1=CC=C(C(=C1)N)O A104087 [0,1,0,0,0,0|1,0,0]=2 829 B8R1.5 C1=CC=C(C(=C1)N)O A104088 [0,1,0,0,0,0|1,0,0]=2 830 B8R1.5 C1=CC=C(C(=C1)N)O A104089 [0,1,0,0,0,0|1,0,0]=2 831 B8R1.5 C1=CC=C(C(=C1)N)O A151616 [0,1,0,0,0,0|1,0,0]=2 832 B8R1.5 C1=CC=C(C(=C1)N)S A107172 [0,1,0,0,0,0|1,0,0]=2 833 B8R1.5 C1=CC=C(C(=C1)N)S A477048 [0,1,0,0,0,0|1,0,0]=2 834 B8R1.5 C1=CC=C(C(=C1)O)Br B109688 [0,1,0,0,0,0|2,0,0]=3 835 B8R1.5 C1=CC=C(C(=C1)O)Br B109689 [0,1,0,0,0,0|2,0,0]=3 836 B8R1.5 C1=CC=C(C(=C1)O)Cl C110430 [0,1,0,0,0,0|2,0,0]=3 837 B8R1.5 C1=CC=C(C(=C1)O)Cl C110432 [0,1,0,0,0,0|2,0,0]=3 838 B8R1.5 C1=CC=C(C(=C1)O)Cl C110433 [0,1,0,0,0,0|2,0,0]=3 839 B8R1.5 C1=CC=C(C(=C1)O)Cl C110434 [0,1,0,0,0,0|2,0,0]=3 840 B8R1.5 C1=CC=C(C(=C1)O)Cl C110435 [0,1,0,0,0,0|2,0,0]=3 841 B8R1.5 C1=CC=C(C(=C1)O)F F123546 [0,1,0,0,0,0|2,0,0]=3 842 B8R1.5 C1=CC=C(C(=C1)O)F F123547 [0,1,0,0,0,0|2,0,0]=3 843 B8R1.5 C1=CC=C(C(=C1)O)I I107036 [0,1,0,0,0,0|2,0,0]=3 844 B8R1.5 C1=CC=C(C(=C1)O)O C110637 [0,1,0,0,0,0|2,0,0]=3 845 B8R1.5 C1=CC=C(C(=C1)O)O C110639 [0,1,0,0,0,0|2,0,0]=3 846 B8R1.5 C1=CC=C(C(=C1)O)O P431588 [0,1,0,0,0,0|2,0,0]=3 847 B8R1.5 C1=CC=C(C(=C1)O)S M101784 [0,1,0,0,0,0|2,0,0]=3 848 B8R1.5 C1=CC=C(C(=C1)S)Br B101772 [0,1,0,0,0,0|2,0,0]=3 849 B8R1.5 C1=CC=C(C(=C1)S)Cl C101764 [0,1,0,0,0,0|2,0,0]=3 850 B8R1.5 C1=CC=C(C(=C1)S)Cl C639109 [0,1,0,0,0,0|2,0,0]=3 851 B8R1.5 C1=CC=C(C(=C1)S)S B152759 [0,1,0,0,0,0|2,0,0]=3 852 B8R1.5 C1=CC=[N+](C(=C1)Cl)[O-] C119972 [0,1,0,0,0,0|3,0,0]=4 853 B8R1.5 C1=CC=[N+](C(=C1)Cl)[O-] C135385 [0,1,0,0,0,0|3,0,0]=4 854 B8R1.5 C1=CN=C(C(=N1)N)Cl A121861 [0,1,0,0,0,0|3,0,0]=4 855 B8R1.5 C1=CN=C(C(=N1)N)Cl A469516 [0,1,0,0,0,0|3,0,0]=4 856 B8R1.5 C1=CN=C(C(=N1)N)N D190531 [0,1,0,0,0,0|3,0,0]=4 857 B8R1.5 C1=CN=C(C(=O)N1)N A184511 [0,1,0,0,0,0|3,0,0]=4 858 B8R1.5 C1=CN=CC(=C1Br)Br D154412 [0,1,0,0,0,0|1,0,0]=2 859 B8R1.5 C1=CN=CC(=C1Br)Cl B194810 [0,1,0,0,0,0|1,0,0]=2 860 B8R1.5 C1=CN=CC(=C1Br)O B181861 [0,1,0,0,0,0|1,0,0]=2 861 B8R1.5 C1=CN=CC(=C1Cl)Br B176292 [0,1,0,0,0,0|1,0,0]=2 862 B8R1.5 C1=CN=CC(=C1Cl)Cl D193939 [0,1,0,0,0,0|1,0,0]=2 863 B8R1.5 C1=CN=CC(=C1Cl)F C119649 [0,1,0,0,0,0|1,0,0]=2 864 B8R1.5 C1=CN=CC(=C1Cl)I C139399 [0,1,0,0,0,0|1,0,0]=2 865 B8R1.5 C1=CN=CC(=C1Cl)N A124742 [0,1,0,0,0,0|1,0,0]=2 866 B8R1.5 C1=CN=CC(=C1Cl)O C128912 [0,1,0,0,0,0|1,0,0]=2 867 B8R1.5 C1=CN=CC(=C1I)Br B590585 [0,1,0,0,0,0|1,0,0]=2 868 B8R1.5 C1=CN=CC(=C1I)Cl C120555 [0,1,0,0,0,0|1,0,0]=2 869 B8R1.5 C1=CN=CC(=C1I)F F588214 [0,1,0,0,0,0|1,0,0]=2 870 B8R1.5 C1=CN=CC(=C1I)N A123932 [0,1,0,0,0,0|1,0,0]=2 871 B8R1.5 C1=CN=CC(=C1N)Br A120721 [0,1,0,0,0,0|0,0,0]=1 872 B8R1.5 C1=CN=CC(=C1N)Cl A132817 [0,1,0,0,0,0|0,0,0]=1 873 B8R1.5 C1=CN=CC(=C1N)F A119629 [0,1,0,0,0,0|0,0,0]=1 874 B8R1.5 C1=CN=CC(=C1N)I I107963 [0,1,0,0,0,0|0,0,0]=1 875 B8R1.5 C1=CN=CC(=C1N)N D154393 [0,1,0,0,0,0|0,0,0]=1 876 B8R1.5 C1=CN=CC(=C1N)N D424687 [0,1,0,0,0,0|0,0,0]=1 877 B8R1.5 C1=CNC(=O)C(=C1)Br B102610 [0,1,0,0,0,0|3,0,0]=4 878 B8R1.5 C1=CNC(=O)C(=C1)Cl C102609 [0,1,0,0,0,0|3,0,0]=4 879 B8R1.5 C1=CNC(=O)C(=C1)F F102607 [0,1,0,0,0,0|3,0,0]=4 880 B8R1.5 C1=CNC(=O)C(=C1)I I586377 [0,1,0,0,0,0|3,0,0]=4 881 B8R1.5 C1=CNC(=O)C(=C1)N A151666 [0,1,0,0,0,0|2,0,0]=3 882 B8R1.5 C1=CNC(=O)C(=C1)O D119960 [0,1,0,0,0,0|3,0,0]=4 883 B8R1.5 C1=CNC=C(C1=O)Br B124726 [0,1,0,0,0,0|1,0,1]=3 884 B8R1.5 C1=CNC=C(C1=O)N A115784 [0,1,0,0,0,0|1,0,1]=3 885 B8R1.5 C1=COC(=O)C(=C1)O H193578 [0,1,0,0,0,0|3,0,0]=4 886 B8R1.5 CC1=C(C=CC=N1)Br B120553 [0,1,0,0,0,0|3,0,0]=4 887 B8R1.5 CC1=C(C=CC=N1)F F191212 [0,1,0,0,0,0|3,0,0]=4 888 B8R1.5 CC1=C(C=CC=N1)N A103064 [0,1,0,0,0,0|2,0,0]=3 889 B8R1.5 CC1=C(C=CC=N1)O H122390 [0,1,0,0,0,0|3,0,0]=4 890 B8R1.5 CC1=C(C=CN=C1)Cl C138427 [0,1,0,0,0,0|1,0,0]=2 891 B8R1.5 CC1=C(C=CN=C1)N M119392 [0,1,0,0,0,0|0,0,0]=1 892 B8R1.5 CC1=C(C=NC=C1)Br B107960 [0,1,0,0,0,0|1,0,0]=2 893 B8R1.5 CC1=C(C=NC=C1)Cl W134002 [0,1,0,0,0,0|1,0,0]=2 894 B8R1.5 CC1=C(C=NC=C1)F F135625 [0,1,0,0,0,0|1,0,0]=2 895 B8R1.5 CC1=C(C=NC=C1)I I588962 [0,1,0,0,0,0|1,0,0]=2 896 B8R1.5 CC1=C(C=NC=C1)N A122386 [0,1,0,0,0,0|1,0,0]=2 897 B8R1.5 CC1=C(C=NC=C1)O H179446 [0,1,0,0,0,0|1,0,0]=2 898 B8R1.5 CC1=C(N=CC=C1)Br B110258 [0,1,0,0,0,0|3,0,0]=4 899 B8R1.5 CC1=C(N=CC=C1)C L109204 [0,1,0,0,0,0|3,0,0]=4 900 B8R1.5 CC1=C(N=CC=C1)Cl C124347 [0,1,0,0,0,0|3,0,0]=4 901 B8R1.5 CC1=C(N=CC=C1)F F119658 [0,1,0,0,0,0|3,0,0]=4 902 B8R1.5 CC1=C(N=CC=C1)N A107212 [0,1,0,0,0,0|2,0,0]=3 903 B8R1.5 CC1=C(N=CC=C1)N A140869 [0,1,0,0,0,0|2,0,0]=3 904 B8R1.5 CC1=CC=CC=C1Br B108526 [0,1,0,0,0,0|2,0,0]=3 905 B8R1.5 CC1=CC=CC=C1C O102277 [0,1,0,0,0,0|2,0,0]=3 906 B8R1.5 CC1=CC=CC=C1C X108969 [0,1,0,0,0,0|2,0,0]=3 907 B8R1.5 CC1=CC=CC=C1C X108971 [0,1,0,0,0,0|2,0,0]=3 908 B8R1.5 CC1=CC=CC=C1C X108972 [0,1,0,0,0,0|2,0,0]=3 909 B8R1.5 CC1=CC=CC=C1C X117370 [0,1,0,0,0,0|2,0,0]=3 910 B8R1.5 CC1=CC=CC=C1C X117372 [0,1,0,0,0,0|2,0,0]=3 911 B8R1.5 CC1=CC=CC=C1C X119713 [0,1,0,0,0,0|2,0,0]=3 912 B8R1.5 CC1=CC=CC=C1C X128150 [0,1,0,0,0,0|2,0,0]=3 913 B8R1.5 CC1=CC=CC=C1Cl C108163 [0,1,0,0,0,0|2,0,0]=3 914 B8R1.5 CC1=CC=CC=C1Cl C108164 [0,1,0,0,0,0|2,0,0]=3 915 B8R1.5 CC1=CC=CC=C1Cl C108165 [0,1,0,0,0,0|2,0,0]=3 916 B8R1.5 CC1=CC=CC=C1Cl C108168 [0,1,0,0,0,0|2,0,0]=3 917 B8R1.5 CC1=CC=CC=C1F F123653 [0,1,0,0,0,0|2,0,0]=3 918 B8R1.5 CC1=CC=CC=C1I I103584 [0,1,0,0,0,0|2,0,0]=3 919 B8R1.5 CC1=CC=CC=C1N O333989 [0,1,0,0,0,0|1,0,0]=2 920 B8R1.5 CC1=CC=CC=C1N T103926 [0,1,0,0,0,0|1,0,0]=2 921 B8R1.5 CC1=CC=CC=C1N T103927 [0,1,0,0,0,0|1,0,0]=2 922 B8R1.5 CC1=CC=CC=C1N T103928 [0,1,0,0,0,0|1,0,0]=2 923 B8R1.5 CC1=CC=CC=C1O C108231 [0,1,0,0,0,0|2,0,0]=3 924 B8R1.5 CC1=CC=CC=C1O C108233 [0,1,0,0,0,0|2,0,0]=3 925 B8R1.5 CC1=CC=CC=C1O C108234 [0,1,0,0,0,0|2,0,0]=3 926 B8R1.5 CC1=CC=CC=C1O C108235 [0,1,0,0,0,0|2,0,0]=3 927 B8R1.5 CC1=CC=CC=C1O C108236 [0,1,0,0,0,0|2,0,0]=3 928 B8R1.5 CC1=CC=CC=C1S M101295 [0,1,0,0,0,0|2,0,0]=3 929 B8R1.5 CC1=CC=CC=[N+]1N A151482 [0,1,0,0,0,0|2,0,0]=3 930 B8R1.5 CC1=CC=CC=[N+]1[O-] M158853 [0,1,0,0,0,0|3,0,0]=4 931 B8R1.5 CC1=CC=CNC1=O H124768 [0,1,0,0,0,0|3,0,0]=4 932 B8R1.5 CC1=CC=CNC1=S M404770 [0,1,0,0,0,0|3,0,0]=4 933 B8R1.5 CC1=CC=NNC1=O M176158 [0,1,0,0,0,0|2,0,0]=3 934 B8R1.5 CC1=CNC=CC1=O H119394 [0,1,0,0,0,0|1,0,1]=3 935 B8R1.5 CC1=NC=NC=C1Br B181501 [0,1,0,0,0,0|2,0,0]=3 936 B8R1.5 CN1C=CC=CC1=O M158822 [0,1,0,0,0,0|3,0,0]=4 937 B8R1.5 C[N+]1=CC=CC=C1Cl C154059 [0,1,0,0,0,0|3,0,0]=4 938 B8R1.5 Oc1ccccc1O C117392 [0,1,0,0,0,0|2,0,0]=3 939 B8R1.5 [CH2-]C1=CC=CC=C1F F169483 [0,1,0,0,0,0|2,0,0]=3 940 B6R0.6 CC=CC=CC=O H156882 [0,0,1,0,0,0|2,0,1]=4 941 B8R2.34 C1C2C=CC1C=C2 B118536 [0,0,0,1,0,0|2,0,1]=4 942 B8R2.34 C1C2C=CC1C=C2 B131574 [0,0,0,1,0,0|2,0,1]=4 943 B8R2.34 C1C2C=CC1C=C2 B293967 [0,0,0,1,0,0|2,0,1]=4 944 B8R2.34 C1C2C=CC1C=C2 D468633 [0,0,0,1,0,0|2,0,1]=4 945 B8R2.34 C1C2C=CC1C=C2 N129164 [0,0,0,1,0,0|2,0,1]=4 946 B6R1.2 C1(=NNN=N1)N A138292 [0,0,0,0,1,0|3,0,0]=4 947 B6R1.2 C1(=NNN=N1)N A151135 [0,0,0,0,1,0|3,0,0]=4 948 B6R1.2 C1=C(C=NN1)Br B119149 [0,0,0,0,1,0|2,0,0]=3 949 B6R1.2 C1=C(C=NN1)Cl C153799 [0,0,0,0,1,0|2,0,0]=3 950 B6R1.2 C1=C(C=NN1)I I157632 [0,0,0,0,1,0|2,0,0]=3 951 B6R1.2 C1=C(C=NN1)N A135058 [0,0,0,0,1,0|1,0,0]=2 952 B6R1.2 C1=C(C=NN1)N H176481 [0,0,0,0,1,0|1,0,0]=2 953 B6R1.2 C1=C(C=NN1)O H589239 [0,0,0,0,1,0|2,0,0]=3 954 B6R1.2 C1=C(C=NO1)I I590305 [0,0,0,0,1,0|2,0,0]=3 955 B6R1.2 C1=C(C=NS1)N I304272 [0,0,0,0,1,0|1,0,0]=2 956 B6R1.2 C1=C(N=CS1)Br B122730 [0,0,0,0,1,0|3,0,0]=4 957 B6R1.2 C1=C(NC=N1)Br B119330 [0,0,0,0,1,0|2,0,0]=3 958 B6R1.2 C1=C(NC=N1)F F176048 [0,0,0,0,1,0|2,0,0]=3 959 B6R1.2 C1=C(NC=N1)I I115819 [0,0,0,0,1,0|2,0,0]=3 960 B6R1.2 C1=C(NN=C1)Br B132639 [0,0,0,0,1,0|2,0,0]=3 961 B6R1.2 C1=C(NN=C1)Br B586496 [0,0,0,0,1,0|2,0,0]=3 962 B6R1.2 C1=C(NN=C1)F F174272 [0,0,0,0,1,0|2,0,0]=3 963 B6R1.2 C1=C(NN=C1)I I157634 [0,0,0,0,1,0|2,0,0]=3 964 B6R1.2 C1=C(NN=C1)I I586115 [0,0,0,0,1,0|2,0,0]=3 965 B6R1.2 C1=C(NN=C1)N A105614 [0,0,0,0,1,0|1,0,0]=2 966 B6R1.2 C1=C(NN=C1)N H304965 [0,0,0,0,1,0|1,0,0]=2 967 B6R1.2 C1=C(NN=C1)N H586683 [0,0,0,0,1,0|1,0,0]=2 968 B6R1.2 C1=C(ON=C1)N I587306 [0,0,0,0,1,0|1,0,0]=2 969 B6R1.2 C1=C(SC=N1)Br B119307 [0,0,0,0,1,0|2,0,0]=3 970 B6R1.2 C1=C(SC=N1)N A482119 [0,0,0,0,1,0|1,0,0]=2 971 B6R1.2 C1=C(SC=N1)N T587693 [0,0,0,0,1,0|1,0,0]=2 972 B6R1.2 C1=C(SN=N1)N A135511 [0,0,0,0,1,0|2,0,0]=3 973 B6R1.2 C1=CN(C=C1)N A151234 [0,0,0,0,1,0|1,0,0]=2 974 B6R1.2 C1=CN(N=C1)O H177521 [0,0,0,0,1,0|3,0,0]=4 975 B6R1.2 C1=CN=C(N1)Br B123024 [0,0,0,0,1,0|3,0,0]=4 976 B6R1.2 C1=CN=C(N1)Cl C153688 [0,0,0,0,1,0|3,0,0]=4 977 B6R1.2 C1=CN=C(N1)I I169417 [0,0,0,0,1,0|3,0,0]=4 978 B6R1.2 C1=CN=C(N1)N A129107 [0,0,0,0,1,0|2,0,0]=3 979 B6R1.2 C1=CN=C(N1)N H186542 [0,0,0,0,1,0|2,0,0]=3 980 B6R1.2 C1=CNC(=S)N1 M134875 [0,0,0,0,1,0|3,0,0]=4 981 B6R1.2 C1=CNNC1=O H173741 [0,0,0,0,1,0|2,0,1]=4 982 B6R1.2 C1=COC(=C1)Br B152379 [0,0,0,0,1,0|2,0,0]=3 983 B6R1.2 C1=COC(=N1)Br B586790 [0,0,0,0,1,0|3,0,0]=4 984 B6R1.2 C1=COC(=N1)N A122648 [0,0,0,0,1,0|2,0,0]=3 985 B6R1.2 C1=COC(=O)O1 V107163 [0,0,0,0,1,0|3,0,0]=4 986 B6R1.2 C1=COC(=O)O1 V359322 [0,0,0,0,1,0|3,0,0]=4 987 B6R1.2 C1=COC(=O)O1 V399512 [0,0,0,0,1,0|3,0,0]=4 988 B6R1.2 C1=COC=C1Br B123116 [0,0,0,0,1,0|2,0,0]=3 989 B6R1.2 C1=CON=C1Br B481858 [0,0,0,0,1,0|3,0,0]=4 990 B6R1.2 C1=CON=C1N A124591 [0,0,0,0,1,0|2,0,0]=3 991 B6R1.2 C1=CSC(=C1)Br B107006 [0,0,0,0,1,0|2,0,0]=3 992 B6R1.2 C1=CSC(=C1)Cl C106575 [0,0,0,0,1,0|2,0,0]=3 993 B6R1.2 C1=CSC(=C1)I I107041 [0,0,0,0,1,0|2,0,0]=3 994 B6R1.2 C1=CSC(=C1)S T100899 [0,0,0,0,1,0|2,0,0]=3 995 B6R1.2 C1=CSC(=N1)Br B123649 [0,0,0,0,1,0|3,0,0]=4 996 B6R1.2 C1=CSC(=N1)Cl C121869 [0,0,0,0,1,0|3,0,0]=4 997 B6R1.2 C1=CSC(=N1)N A104872 [0,0,0,0,1,0|2,0,0]=3 998 B6R1.2 C1=CSC(=N1)N A418731 [0,0,0,0,1,0|2,0,0]=3 999 B6R1.2 C1=CSC(=N1)N A418786 [0,0,0,0,1,0|2,0,0]=3 1000 B6R1.2 C1=CSC(=S)N1 M136894 [0,0,0,0,1,0|3,0,0]=4 1001 B6R1.2 C1=CSC=C1Br B103164 [0,0,0,0,1,0|2,0,0]=3 1002 B6R1.2 C1=CSC=C1Cl C101614 [0,0,0,0,1,0|2,0,0]=3 1003 B6R1.2 C1=CSC=C1F F156769 [0,0,0,0,1,0|2,0,0]=3 1004 B6R1.2 C1=CSC=C1I I165643 [0,0,0,0,1,0|2,0,0]=3 1005 B6R1.2 C1=CSC=C1N D303790 [0,0,0,0,1,0|1,0,0]=2 1006 B6R1.2 C1=CSC=C1N T588427 [0,0,0,0,1,0|1,0,0]=2 1007 B6R1.2 C1=CSSC1=S H275383 [0,0,0,0,1,0|3,0,0]=4 1008 B6R1.2 C1=NN=C(S1)Br W134703 [0,0,0,0,1,0|3,0,0]=4 1009 B6R1.2 C1=NN=C(S1)N A151011 [0,0,0,0,1,0|2,0,0]=3 1010 B6R1.2 C1=NN=CN1N A107206 [0,0,0,0,1,0|2,0,0]=3 1011 B6R1.2 C1=NNC(=N1)Br B177308 [0,0,0,0,1,0|3,0,0]=4 1012 B6R1.2 C1=NNC(=N1)Br B587371 [0,0,0,0,1,0|3,0,0]=4 1013 B6R1.2 C1=NNC(=N1)Br B589542 [0,0,0,0,1,0|3,0,0]=4 1014 B6R1.2 C1=NNC(=N1)Cl C136826 [0,0,0,0,1,0|3,0,0]=4 1015 B6R1.2 C1=NNC(=N1)N A107201 [0,0,0,0,1,0|2,0,0]=3 1016 B6R1.2 C1=NNC(=N1)N A107202 [0,0,0,0,1,0|2,0,0]=3 1017 B6R1.2 C1=NNC(=O)N1 T188359 [0,0,0,0,1,0|3,0,0]=4 1018 B6R1.2 C1=NNC(=S)S1 M107534 [0,0,0,0,1,0|3,0,0]=4 1019 B6R1.2 C1=NNN=C1Br B589054 [0,0,0,0,1,0|3,0,0]=4 1020 B6R1.2 C1=NNN=C1[S-] M139045 [0,0,0,0,1,0|3,0,0]=4 1021 B6R1.2 C1=NSC(=N1)Br B589113 [0,0,0,0,1,0|3,0,0]=4 1022 B6R1.2 C1C=CC(=O)N1 D344952 [0,0,0,0,1,0|2,0,1]=4 1023 B6R1.2 C1C=CC(=O)O1 F107943 [0,0,0,0,1,0|2,0,1]=4 1024 B6R1.2 C1C=CC(=O)S1 H472400 [0,0,0,0,1,0|2,0,1]=4 1025 B6R1.2 C1C=NNC1=O H190747 [0,0,0,0,1,0|2,0,1]=4 1026 B6R1.2 C1CC(=O)C=C1 C139450 [0,0,0,0,1,0|1,0,2]=4 1027 B6R1.2 CC1=CC=CN1 M185725 [0,0,0,0,1,0|2,0,0]=3 1028 B6R1.2 CC1=CC=CO1 M110932 [0,0,0,0,1,0|2,0,0]=3 1029 B6R1.2 CC1=CC=CS1 M109554 [0,0,0,0,1,0|2,0,0]=3 1030 B6R1.2 CC1=CC=NN1 M108005 [0,0,0,0,1,0|2,0,0]=3 1031 B6R1.2 CC1=CC=NO1 M158646 [0,0,0,0,1,0|2,0,0]=3 1032 B6R1.2 CC1=CN=CN1 M112296 [0,0,0,0,1,0|2,0,0]=3 1033 B6R1.2 CC1=CN=CS1 M124661 [0,0,0,0,1,0|2,0,0]=3 1034 B6R1.2 CC1=CNC=C1 M139090 [0,0,0,0,1,0|1,0,1]=3 1035 B6R1.2 CC1=CNN=C1 M158362 [0,0,0,0,1,0|2,0,0]=3 1036 B6R1.2 CC1=COC=C1 M158541 [0,0,0,0,1,0|2,0,0]=3 1037 B6R1.2 CC1=CSC=C1 M113676 [0,0,0,0,1,0|2,0,0]=3 1038 B6R1.2 CC1=CSC=N1 M103108 [0,0,0,0,1,0|3,0,0]=4 1039 B6R1.2 CC1=NC=CN1 M104839 [0,0,0,0,1,0|3,0,0]=4 1040 B6R1.2 CC1=NC=CS1 M299351 [0,0,0,0,1,0|3,0,0]=4 1041 B6R1.2 CC1=NC=C[N-]1 Z282555 [0,0,0,0,1,0|3,0,0]=4 1042 B6R1.2 CC1=NC=NN1 M177267 [0,0,0,0,1,0|3,0,0]=4 1043 B6R1.2 CN1C=CC=C1 M100701 [0,0,0,0,1,0|2,0,0]=3 1044 B6R1.2 CN1C=CC=N1 M107967 [0,0,0,0,1,0|3,0,0]=4 1045 B6R1.2 CN1C=CN=C1 M109227 [0,0,0,0,1,0|2,0,0]=3 1046 B6R1.2 CN1C=CN=C1 M300816 [0,0,0,0,1,0|2,0,0]=3 1047 B6R1.2 CN1C=CN=C1 M342188 [0,0,0,0,1,0|2,0,0]=3 1048 B6R1.2 CN1C=NC=N1 M139070 [0,0,0,0,1,0|3,0,0]=4 1049 B6R1.2 CN1C=NN=C1 M586265 [0,0,0,0,1,0|3,0,0]=4 1050 B8R1.22 C1=CC=CC(=O)C=C1 T355510 [0,0,0,0,0,1|2,0,0]=3 1051 B5R0.1 CC=CC(=O)N C153720 [1,0,1,0,0,0|1,0,1]=4 1052 B5R0.2 C=CCCC=C C118545 [1,0,1,0,0,0|1,0,1]=4 1053 B5R0.2 C=CCCC=C H106694 [1,0,1,0,0,0|1,0,1]=4 1054 B5R0.2 C=CCOC=C A354946 [1,0,1,0,0,0|1,0,1]=4 1055 B5R0.2 CC=CC=CC H113628 [1,0,1,0,0,0|1,0,1]=4 1056 B5R0.2 CC=CCC=C H157263 [1,0,1,0,0,0|1,0,1]=4 1057 B5R0.2 CC=CCC=C T162375 [1,0,1,0,0,0|1,0,1]=4 1058 B5R0.3 C=CC(C=C)O P346741 [1,0,1,0,0,0|1,0,1]=4 1059 B7R0.7 CC=CC(=O)OC=C V162948 [0,1,1,0,0,0|2,0,0]=4 1060 B7R1.1 C#CC1=CC=CS1 E107746 [0,1,0,0,1,0|2,0,0]=4 1061 B7R1.1 C#CC1=CC=NN1 E478860 [0,1,0,0,1,0|2,0,0]=4 1062 B7R1.1 C#CC1=CNN=C1 E176824 [0,1,0,0,1,0|2,0,0]=4 1063 B7R1.1 C#CC1=CSC=C1 E102747 [0,1,0,0,1,0|2,0,0]=4 1064 B7R1.1 C1=C(C=NN1)C#N H138654 [0,1,0,0,1,0|1,0,1]=4 1065 B7R1.1 C1=C(C=NN1)C=O H172485 [0,1,0,0,1,0|2,0,0]=4 1066 B7R1.1 C1=C(C=NN1)C=O H176240 [0,1,0,0,1,0|2,0,0]=4 1067 B7R1.1 C1=C(C=NN1)CO H175899 [0,1,0,0,1,0|2,0,0]=4 1068 B7R1.1 C1=C(NC=N1)C#N H185287 [0,1,0,0,1,0|1,0,1]=4 1069 B7R1.1 C1=C(NC=N1)C=O I124241 [0,1,0,0,1,0|2,0,0]=4 1070 B7R1.1 C1=C(NC=N1)CO H113059 [0,1,0,0,1,0|2,0,0]=4 1071 B7R1.1 C1=C(NC=N1)CO I137052 [0,1,0,0,1,0|2,0,0]=4 1072 B7R1.1 C1=C(NN=C1)C#N H193019 [0,1,0,0,1,0|1,0,1]=4 1073 B7R1.1 C1=C(NN=C1)C=O P140216 [0,1,0,0,1,0|2,0,0]=4 1074 B7R1.1 C1=C(NN=C1)CN P115816 [0,1,0,0,1,0|1,0,0]=3 1075 B7R1.1 C1=C(SC=N1)C=O W132585 [0,1,0,0,1,0|2,0,0]=4 1076 B7R1.1 C1=C(SC=N1)CCl C586959 [0,1,0,0,1,0|2,0,0]=4 1077 B7R1.1 C1=C(SC=N1)CN T302352 [0,1,0,0,1,0|1,0,0]=3 1078 B7R1.1 C1=C(SC=N1)CO T119309 [0,1,0,0,1,0|2,0,0]=4 1079 B7R1.1 C1=CC(=C[CH]1)C#N C302322 [0,1,0,0,1,0|0,0,2]=4 1080 B7R1.1 C1=CN=C(N1)CN A168767 [0,1,0,0,1,0|2,0,0]=4 1081 B7R1.1 C1=CNC(=C1)C#N H134165 [0,1,0,0,1,0|1,0,1]=4 1082 B7R1.1 C1=CNC(=C1)C=O P123130 [0,1,0,0,1,0|2,0,0]=4 1083 B7R1.1 C1=COC(=C1)C#N F139092 [0,1,0,0,1,0|1,0,1]=4 1084 B7R1.1 C1=COC(=C1)C=O F100546 [0,1,0,0,1,0|2,0,0]=4 1085 B7R1.1 C1=COC(=C1)C=O F100547 [0,1,0,0,1,0|2,0,0]=4 1086 B7R1.1 C1=COC(=C1)C=O F100548 [0,1,0,0,1,0|2,0,0]=4 1087 B7R1.1 C1=COC(=C1)C=O F336820 [0,1,0,0,1,0|2,0,0]=4 1088 B7R1.1 C1=COC(=C1)CN F111778 [0,1,0,0,1,0|1,0,0]=3 1089 B7R1.1 C1=COC(=C1)CN F493732 [0,1,0,0,1,0|1,0,0]=3 1090 B7R1.1 C1=COC(=C1)CO F110603 [0,1,0,0,1,0|2,0,0]=4 1091 B7R1.1 C1=COC(=C1)CO F110604 [0,1,0,0,1,0|2,0,0]=4 1092 B7R1.1 C1=COC(=C1)CS F102900 [0,1,0,0,1,0|2,0,0]=4 1093 B7R1.1 C1=COC=C1C#N F469046 [0,1,0,0,1,0|1,0,1]=4 1094 B7R1.1 C1=COC=C1C=O F122652 [0,1,0,0,1,0|2,0,0]=4 1095 B7R1.1 C1=COC=C1CO F122642 [0,1,0,0,1,0|2,0,0]=4 1096 B7R1.1 C1=CSC(=C1)C#N C153351 [0,1,0,0,1,0|1,0,1]=4 1097 B7R1.1 C1=CSC(=C1)C=O T107122 [0,1,0,0,1,0|2,0,0]=4 1098 B7R1.1 C1=CSC(=C1)CN T107120 [0,1,0,0,1,0|1,0,0]=3 1099 B7R1.1 C1=CSC(=C1)CO T162809 [0,1,0,0,1,0|2,0,0]=4 1100 B7R1.1 C1=CSC(=C1)CS T134394 [0,1,0,0,1,0|2,0,0]=4 1101 B7R1.1 C1=CSC=C1C#N C153346 [0,1,0,0,1,0|1,0,1]=4 1102 B7R1.1 C1=CSC=C1C=O T115194 [0,1,0,0,1,0|2,0,0]=4 1103 B7R1.1 C1=CSC=C1CBr B192902 [0,1,0,0,1,0|2,0,0]=4 1104 B7R1.1 C1=CSC=C1CN T123094 [0,1,0,0,1,0|1,0,0]=3 1105 B7R1.1 C1=CSC=C1CN T189819 [0,1,0,0,1,0|1,0,0]=3 1106 B7R1.1 C1=CSC=C1CO T115329 [0,1,0,0,1,0|2,0,0]=4 1107 B7R1.1 C1=NNN=C1CN H332069 [0,1,0,0,1,0|2,0,0]=4 1108 B7R1.1 C=CC1=CC=CS1 V305289 [0,1,0,0,1,0|2,0,0]=4 1109 B7R1.1 C=CN1C=CN=C1 V109377 [0,1,0,0,1,0|2,0,0]=4 1110 B7R1.1 CCC1=CC=CN1 E156214 [0,1,0,0,1,0|2,0,0]=4 1111 B7R1.1 CCC1=CC=CO1 E102538 [0,1,0,0,1,0|2,0,0]=4 1112 B7R1.1 CCC1=CC=CO1 E141264 [0,1,0,0,1,0|2,0,0]=4 1113 B7R1.1 CCC1=CC=CS1 E101589 [0,1,0,0,1,0|2,0,0]=4 1114 B7R1.1 CCC1=CC=C[CH-]1 D166828 [0,1,0,0,1,0|1,0,1]=4 1115 B7R1.1 CCC1=CN=CN1 E156331 [0,1,0,0,1,0|2,0,0]=4 1116 B7R1.1 CCC1=CNN=C1 E167848 [0,1,0,0,1,0|2,0,0]=4 1117 B7R1.1 CCC1=CSC=C1 E156073 [0,1,0,0,1,0|2,0,0]=4 1118 B7R1.1 CCN1C=CC=C1 E156213 [0,1,0,0,1,0|2,0,0]=4 1119 B7R1.1 CCN1C=CN=C1 E139207 [0,1,0,0,1,0|2,0,0]=4 1120 B7R1.1 COC1=CC=CO1 M158540 [0,1,0,0,1,0|2,0,0]=4 1121 B7R1.1 COC1=CC=CS1 M103170 [0,1,0,0,1,0|2,0,0]=4 1122 B7R1.1 COC1=CC=NN1 M588136 [0,1,0,0,1,0|2,0,0]=4 1123 B7R1.1 COC1=CSC=C1 M103169 [0,1,0,0,1,0|2,0,0]=4 1124 B7R1.1 CSC1=CC=CS1 M123048 [0,1,0,0,1,0|2,0,0]=4 1125 B7R1.2 C1(=NC(=NN1)N)N D132247 [0,1,0,0,1,0|2,0,0]=4 1126 B7R1.2 C1(=NN=C(S1)Br)N A138762 [0,1,0,0,1,0|2,0,0]=4 1127 B7R1.2 C1(=NN=C(S1)N)N T162669 [0,1,0,0,1,0|2,0,0]=4 1128 B7R1.2 C1=C(N=C(S1)N)Br A303818 [0,1,0,0,1,0|2,0,0]=4 1129 B7R1.2 C1=C(N=C(S1)N)Cl C589346 [0,1,0,0,1,0|2,0,0]=4 1130 B7R1.2 C1=C(NN=C1Br)Br D177135 [0,1,0,0,1,0|2,0,0]=4 1131 B7R1.2 C1=C(NN=C1N)Cl C178199 [0,1,0,0,1,0|1,0,1]=4 1132 B7R1.2 C1=C(NNC1=O)N A176721 [0,1,0,0,1,0|1,0,1]=4 1133 B7R1.2 C1=C(NNC1=O)N A192525 [0,1,0,0,1,0|1,0,1]=4 1134 B7R1.2 C1=C(OC(=C1)Br)Br D154954 [0,1,0,0,1,0|2,0,0]=4 1135 B7R1.2 C1=C(SC(=C1)Br)Br D100660 [0,1,0,0,1,0|2,0,0]=4 1136 B7R1.2 C1=C(SC(=C1)Br)Cl B153193 [0,1,0,0,1,0|2,0,0]=4 1137 B7R1.2 C1=C(SC(=C1)Cl)Cl D101617 [0,1,0,0,1,0|2,0,0]=4 1138 B7R1.2 C1=C(SC(=C1)I)I D155849 [0,1,0,0,1,0|2,0,0]=4 1139 B7R1.2 C1=C(SC(=N1)Br)Br D135835 [0,1,0,0,1,0|2,0,0]=4 1140 B7R1.2 C1=C(SC(=N1)Cl)Br B169415 [0,1,0,0,1,0|2,0,0]=4 1141 B7R1.2 C1=C(SC(=N1)N)Br B101200 [0,1,0,0,1,0|2,0,0]=4 1142 B7R1.2 C1=C(SC(=N1)N)Cl A113875 [0,1,0,0,1,0|2,0,0]=4 1143 B7R1.2 C1=C(SC=C1Br)Br D136154 [0,1,0,0,1,0|2,0,0]=4 1144 B7R1.2 C1=C(SC=C1Br)Cl B354145 [0,1,0,0,1,0|2,0,0]=4 1145 B7R1.2 C1=C([Se]C(=C1)Br)Br D155787 [0,1,0,0,1,0|2,0,0]=4 1146 B7R1.2 C1=CC(=O)NC1=O M100788 [0,1,0,0,1,0|2,0,0]=4 1147 B7R1.2 C1=CC(=O)NC1=O M424627 [0,1,0,0,1,0|2,0,0]=4 1148 B7R1.2 C1=CC(=O)OC1=O M116389 [0,1,0,0,1,0|2,0,0]=4 1149 B7R1.2 C1=CC(=O)OC1=O M332470 [0,1,0,0,1,0|2,0,0]=4 1150 B7R1.2 C1=CC(=O)OC1=O P134891 [0,1,0,0,1,0|2,0,0]=4 1151 B7R1.2 C1=CC(=O)OC1=O P303284 [0,1,0,0,1,0|2,0,0]=4 1152 B7R1.2 C1=CC(=O)OC1=O P304899 [0,1,0,0,1,0|2,0,0]=4 1153 B7R1.2 C1=CC(=O)OC1=O P434514 [0,1,0,0,1,0|2,0,0]=4 1154 B7R1.2 C1=CC(=O)OC1=O P434525 [0,1,0,0,1,0|2,0,0]=4 1155 B7R1.2 C1=CC(=O)OC1=O P434526 [0,1,0,0,1,0|2,0,0]=4 1156 B7R1.2 C1=CC(=O)OC1=O P493757 [0,1,0,0,1,0|2,0,0]=4 1157 B7R1.2 C1C(=O)C=CC1=O C356087 [0,1,0,0,1,0|1,0,1]=4 1158 B7R1.2 CC1=CC(=CN1)C D123132 [0,1,0,0,1,0|1,0,1]=4 1159 B7R1.2 CC1=CC(=CS1)Br B111413 [0,1,0,0,1,0|2,0,0]=4 1160 B7R1.2 CC1=CC(=CS1)C D304246 [0,1,0,0,1,0|2,0,0]=4 1161 B7R1.2 CC1=CC(=NN1)C D139167 [0,1,0,0,1,0|2,0,0]=4 1162 B7R1.2 CC1=CC(=NN1)N A151511 [0,1,0,0,1,0|1,0,1]=4 1163 B7R1.2 CC1=CC(=NO1)C D122898 [0,1,0,0,1,0|2,0,0]=4 1164 B7R1.2 CC1=CC(=NO1)N A151654 [0,1,0,0,1,0|2,0,0]=4 1165 B7R1.2 CC1=CC=C(N1)C D113404 [0,1,0,0,1,0|2,0,0]=4 1166 B7R1.2 CC1=CC=C(O1)C D113405 [0,1,0,0,1,0|2,0,0]=4 1167 B7R1.2 CC1=CC=C(S1)Br B101591 [0,1,0,0,1,0|2,0,0]=4 1168 B7R1.2 CC1=CC=C(S1)C D155809 [0,1,0,0,1,0|2,0,0]=4 1169 B7R1.2 CC1=CC=C(S1)Cl C153324 [0,1,0,0,1,0|2,0,0]=4 1170 B7R1.2 CC1=CC=C(S1)I I101863 [0,1,0,0,1,0|2,0,0]=4 1171 B7R1.2 CC1=CN=C(N1)C D139451 [0,1,0,0,1,0|2,0,0]=4 1172 B7R1.2 CC1=CN=C(S1)Br B152756 [0,1,0,0,1,0|2,0,0]=4 1173 B7R1.2 CC1=CN=C(S1)N A102155 [0,1,0,0,1,0|2,0,0]=4 1174 B7R1.2 CC1=COC(=N1)N M588855 [0,1,0,0,1,0|2,0,0]=4 1175 B7R1.2 CC1=CSC(=C1)Br B153082 [0,1,0,0,1,0|2,0,0]=4 1176 B7R1.2 CC1=CSC(=N1)N A151202 [0,1,0,0,1,0|2,0,0]=4 1177 B7R1.2 CC1=CSC(=N1)N A167666 [0,1,0,0,1,0|2,0,0]=4 1178 B7R1.2 CC1=NC=C(N1)Br B181890 [0,1,0,0,1,0|2,0,0]=4 1179 B7R1.2 CC1=NC=C(S1)Br B344998 [0,1,0,0,1,0|2,0,0]=4 1180 B7R1.2 CC1=NN=C(O1)N M193769 [0,1,0,0,1,0|2,0,0]=4 1181 B7R1.2 CC1=NN=C(S1)N A151010 [0,1,0,0,1,0|2,0,0]=4 1182 B7R1.2 CC1=NOC(=C1)N A151656 [0,1,0,0,1,0|1,0,0]=3 1183 B7R1.2 CC1=NSC(=C1)N A119078 [0,1,0,0,1,0|1,0,0]=3 1184 B7R1.2 CN1C=C(C=N1)Br B122572 [0,1,0,0,1,0|2,0,0]=4 1185 B7R1.2 CN1C=C(C=N1)I I115817 [0,1,0,0,1,0|2,0,0]=4 1186 B7R1.2 CN1C=C(C=N1)N M173173 [0,1,0,0,1,0|1,0,0]=3 1187 B7R1.2 CN1C=C(C=N1)O M590179 [0,1,0,0,1,0|2,0,0]=4 1188 B7R1.2 CN1C=C(N=C1)Br B169079 [0,1,0,0,1,0|2,0,0]=4 1189 B7R1.2 CN1C=CC(=N1)N A103123 [0,1,0,0,1,0|1,0,1]=4 1190 B7R1.4 C1(=NON=C1N)N D132424 [0,1,0,0,1,0|2,0,0]=4 1191 B7R1.4 C1=C(C(=CN1)F)F D346738 [0,1,0,0,1,0|1,0,1]=4 1192 B7R1.4 C1=C(C(=CS1)Br)Br D101590 [0,1,0,0,1,0|2,0,0]=4 1193 B7R1.4 C1=C(C(=CS1)N)N D123869 [0,1,0,0,1,0|1,0,0]=3 1194 B7R1.4 C1=CSC(=C1Br)Br D100742 [0,1,0,0,1,0|2,0,0]=4 1195 B7R1.4 C1=CSC(=C1Br)Cl C101618 [0,1,0,0,1,0|2,0,0]=4 1196 B7R1.4 C1=CSC(=C1Cl)Cl D101858 [0,1,0,0,1,0|2,0,0]=4 1197 B7R1.4 C1=NC(=C(N1)Cl)Cl D154962 [0,1,0,0,1,0|2,0,0]=4 1198 B7R1.4 C1=NNC(=C1Br)F B173458 [0,1,0,0,1,0|2,0,0]=4 1199 B7R1.4 C1=NNC(=C1Br)N A133246 [0,1,0,0,1,0|1,0,0]=3 1200 B7R1.4 C1=NNC(=C1I)N A467422 [0,1,0,0,1,0|1,0,0]=3 1201 B7R1.4 CC1=C(C=CO1)S M102912 [0,1,0,0,1,0|2,0,0]=4 1202 B7R1.4 CC1=C(C=CS1)Br B183547 [0,1,0,0,1,0|2,0,0]=4 1203 B7R1.4 CC1=C(C=NN1)Br B138193 [0,1,0,0,1,0|2,0,0]=4 1204 B7R1.4 CC1=C(C=NN1)I I167610 [0,1,0,0,1,0|2,0,0]=4 1205 B7R1.4 CC1=C(C=NN1)N M586416 [0,1,0,0,1,0|1,0,0]=3 1206 B7R1.4 CC1=C(N=CN1)C D589384 [0,1,0,0,1,0|2,0,0]=4 1207 B7R1.4 CC1=C(NN=C1)C D175998 [0,1,0,0,1,0|2,0,0]=4 1208 B7R1.4 CC1=C(NN=C1)C D302720 [0,1,0,0,1,0|2,0,0]=4 1209 B7R1.4 CC1=C(SC=C1)Br B103181 [0,1,0,0,1,0|2,0,0]=4 1210 B7R1.4 CC1=C(SC=C1)C D135046 [0,1,0,0,1,0|2,0,0]=4 1211 B7R1.4 CC1=C(SC=C1)Cl C101382 [0,1,0,0,1,0|2,0,0]=4 1212 B7R1.4 CC1=C(SC=N1)C D119298 [0,1,0,0,1,0|2,0,0]=4 1213 B7R1.4 CC1=CC=NN1C D154766 [0,1,0,0,1,0|2,0,0]=4 1214 B7R1.4 CC1=CSC=C1Br B123867 [0,1,0,0,1,0|2,0,0]=4 1215 B7R1.4 CC1=NC=CN1C D106351 [0,1,0,0,1,0|2,0,0]=4 1216 B7R1.4 CN1C(=CC=N1)I I138694 [0,1,0,0,1,0|2,0,0]=4 1217 B7R1.4 CN1C(=CC=N1)N A180010 [0,1,0,0,1,0|1,0,0]=3 1218 B7R1.4 CN1C(=NC=N1)N M587441 [0,1,0,0,1,0|2,0,0]=4 1219 B7R1.4 CN1C=CN=C1Br B167785 [0,1,0,0,1,0|2,0,0]=4 1220 B7R1.4 CN1C=CN=C1Cl C183175 [0,1,0,0,1,0|2,0,0]=4 1221 B7R1.4 CN1C=CN=C1I I184073 [0,1,0,0,1,0|2,0,0]=4 1222 B7R1.4 CN1C=NC=C1Br B165351 [0,1,0,0,1,0|2,0,0]=4 1223 B7R1.4 CN1C=NC=C1Cl C153687 [0,1,0,0,1,0|2,0,0]=4 1224 B9R1.5 C1=CC=C(C(=O)C=C1)Cl C131496 [0,1,0,0,0,1|2,0,0]=4 1225 B9R1.5 C1=CC=C(C(=O)C=C1)O T112998 [0,1,0,0,0,1|2,0,0]=4 1226 B9R1.1 C#CC1=CC=C(C=C1)Br B100857 [0,2,0,0,0,0|2,0,0]=4 1227 B9R1.1 C#CC1=CC=C(C=C1)Cl C115544 [0,2,0,0,0,0|2,0,0]=4 1228 B9R1.1 C#CC1=CC=C(C=C1)F E115545 [0,2,0,0,0,0|2,0,0]=4 1229 B9R1.1 C#CC1=CC=C(C=C1)N E156336 [0,2,0,0,0,0|1,0,0]=3 1230 B9R1.1 C1=CC(=CC=C1C#N)Br B152383 [0,2,0,0,0,0|1,0,1]=4 1231 B9R1.1 C1=CC(=CC=C1C#N)Cl C105375 [0,2,0,0,0,0|1,0,1]=4 1232 B9R1.1 C1=CC(=CC=C1C#N)F F120871 [0,2,0,0,0,0|1,0,1]=4 1233 B9R1.1 C1=CC(=CC=C1C#N)I I103578 [0,2,0,0,0,0|1,0,1]=4 1234 B9R1.1 C1=CC(=CC=C1C#N)N A107274 [0,2,0,0,0,0|1,0,0]=3 1235 B9R1.1 C1=CC(=CC=C1C#N)O H115122 [0,2,0,0,0,0|1,0,1]=4 1236 B9R1.1 C1=CC(=CC=C1C#N)O H115123 [0,2,0,0,0,0|1,0,1]=4 1237 B9R1.1 C1=CC(=CC=C1C#N)S M184058 [0,2,0,0,0,0|1,0,1]=4 1238 B9R1.1 C1=CC(=CC=C1C=O)Br B109177 [0,2,0,0,0,0|2,0,0]=4 1239 B9R1.1 C1=CC(=CC=C1C=O)Br B419287 [0,2,0,0,0,0|2,0,0]=4 1240 B9R1.1 C1=CC(=CC=C1C=O)Cl C104155 [0,2,0,0,0,0|2,0,0]=4 1241 B9R1.1 C1=CC(=CC=C1C=O)F F109178 [0,2,0,0,0,0|2,0,0]=4 1242 B9R1.1 C1=CC(=CC=C1C=O)I I138274 [0,2,0,0,0,0|2,0,0]=4 1243 B9R1.1 C1=CC(=CC=C1C=O)N A303975 [0,2,0,0,0,0|1,0,0]=3 1244 B9R1.1 C1=CC(=CC=C1C=O)N A405596 [0,2,0,0,0,0|1,0,0]=3 1245 B9R1.1 C1=CC(=CC=C1C=O)O H100420 [0,2,0,0,0,0|2,0,0]=4 1246 B9R1.1 C1=CC(=CC=C1C=O)O H100421 [0,2,0,0,0,0|2,0,0]=4 1247 B9R1.1 C1=CC(=CC=C1C=O)O H431620 [0,2,0,0,0,0|2,0,0]=4 1248 B9R1.1 C1=CC(=CC=C1CBr)Br B171105 [0,2,0,0,0,0|2,0,0]=4 1249 B9R1.1 C1=CC(=CC=C1CBr)Cl C135867 [0,2,0,0,0,0|2,0,0]=4 1250 B9R1.1 C1=CC(=CC=C1CBr)F F120595 [0,2,0,0,0,0|2,0,0]=4 1251 B9R1.1 C1=CC(=CC=C1CBr)I I122909 [0,2,0,0,0,0|2,0,0]=4 1252 B9R1.1 C1=CC(=CC=C1CCl)Br B113785 [0,2,0,0,0,0|2,0,0]=4 1253 B9R1.1 C1=CC(=CC=C1CCl)Cl C106513 [0,2,0,0,0,0|2,0,0]=4 1254 B9R1.1 C1=CC(=CC=C1CCl)F F100905 [0,2,0,0,0,0|2,0,0]=4 1255 B9R1.1 C1=CC(=CC=C1CN)Br B133133 [0,2,0,0,0,0|1,0,0]=3 1256 B9R1.1 C1=CC(=CC=C1CN)Br B136595 [0,2,0,0,0,0|1,0,0]=3 1257 B9R1.1 C1=CC(=CC=C1CN)Cl C117222 [0,2,0,0,0,0|1,0,0]=3 1258 B9R1.1 C1=CC(=CC=C1CN)Cl C493514 [0,2,0,0,0,0|1,0,0]=3 1259 B9R1.1 C1=CC(=CC=C1CN)F F111212 [0,2,0,0,0,0|1,0,0]=3 1260 B9R1.1 C1=CC(=CC=C1CN)F F292633 [0,2,0,0,0,0|1,0,0]=3 1261 B9R1.1 C1=CC(=CC=C1CN)F F292646 [0,2,0,0,0,0|1,0,0]=3 1262 B9R1.1 C1=CC(=CC=C1CN)F F404486 [0,2,0,0,0,0|1,0,0]=3 1263 B9R1.1 C1=CC(=CC=C1CN)I I171122 [0,2,0,0,0,0|1,0,0]=3 1264 B9R1.1 C1=CC(=CC=C1CN)N A151636 [0,2,0,0,0,0|1,0,0]=3 1265 B9R1.1 C1=CC(=CC=C1CN)N A193875 [0,2,0,0,0,0|1,0,0]=3 1266 B9R1.1 C1=CC(=CC=C1CN)O A139192 [0,2,0,0,0,0|1,0,0]=3 1267 B9R1.1 C1=CC(=CC=C1CN)O A187992 [0,2,0,0,0,0|1,0,0]=3 1268 B9R1.1 C1=CC(=CC=C1CO)Br B139372 [0,2,0,0,0,0|2,0,0]=4 1269 B9R1.1 C1=CC(=CC=C1CO)Cl C109479 [0,2,0,0,0,0|2,0,0]=4 1270 B9R1.1 C1=CC(=CC=C1CO)F F156598 [0,2,0,0,0,0|2,0,0]=4 1271 B9R1.1 C1=CC(=CC=C1CO)I I138398 [0,2,0,0,0,0|2,0,0]=4 1272 B9R1.1 C1=CC(=CC=C1CO)N A107272 [0,2,0,0,0,0|1,0,0]=3 1273 B9R1.1 C1=CC(=CC=C1CO)O H107912 [0,2,0,0,0,0|2,0,0]=4 1274 B9R1.1 C1=CC(=CC=C1CS)Br B101799 [0,2,0,0,0,0|2,0,0]=4 1275 B9R1.1 C1=CC(=CC=C1CS)Cl C101789 [0,2,0,0,0,0|2,0,0]=4 1276 B9R1.1 C1=CC(=CC=C1CS)F F101796 [0,2,0,0,0,0|2,0,0]=4 1277 B9R1.1 C1=CC(=CC=C1N=O)O N159523 [0,2,0,0,0,0|1,0,1]=4 1278 B9R1.1 C1=CC(=CC=C1NN)Br B109685 [0,2,0,0,0,0|1,0,0]=3 1279 B9R1.1 C1=CC(=CC=C1NN)Br B141295 [0,2,0,0,0,0|1,0,0]=3 1280 B9R1.1 C1=CC(=CC=C1NN)Br B185411 [0,2,0,0,0,0|1,0,0]=3 1281 B9R1.1 C1=CC(=CC=C1NN)Br B193346 [0,2,0,0,0,0|1,0,0]=3 1282 B9R1.1 C1=CC(=CC=C1NN)Cl C110269 [0,2,0,0,0,0|1,0,0]=3 1283 B9R1.1 C1=CC(=CC=C1NN)Cl C153656 [0,2,0,0,0,0|1,0,0]=3 1284 B9R1.1 C1=CC(=CC=C1NN)F F110267 [0,2,0,0,0,0|1,0,0]=3 1285 B9R1.1 C1=CC(=CC=C1NN)I I166921 [0,2,0,0,0,0|1,0,0]=3 1286 B9R1.1 C1=CC(=CC=C1NN)I I194278 [0,2,0,0,0,0|1,0,0]=3 1287 B9R1.1 C1=CC(=CC=C1[N+]#N)Br B152895 [0,2,0,0,0,0|1,0,1]=4 1288 B9R1.1 C1=CC(=NC=C1Br)CN B182096 [0,2,0,0,0,0|2,0,0]=4 1289 B9R1.1 C1=CC(=NC=C1Br)NN B139270 [0,2,0,0,0,0|2,0,0]=4 1290 B9R1.1 C1=CC(=NC=C1C#N)N A151661 [0,2,0,0,0,0|2,0,0]=4 1291 B9R1.1 C1=CC(=NC=C1C=O)N A177224 [0,2,0,0,0,0|2,0,0]=4 1292 B9R1.1 C1=CC(=NC=C1CN)Cl A113916 [0,2,0,0,0,0|2,0,0]=4 1293 B9R1.1 C1=CC(=NC=C1CO)N A136079 [0,2,0,0,0,0|2,0,0]=4 1294 B9R1.1 C1=CC(=NC=C1Cl)NN C183340 [0,2,0,0,0,0|2,0,0]=4 1295 B9R1.1 C1=CC(=NC=C1F)CN A589490 [0,2,0,0,0,0|2,0,0]=4 1296 B9R1.1 C1=CC(=NC=C1N)C#N A123440 [0,2,0,0,0,0|2,0,0]=4 1297 B9R1.1 C1=C[N+](=CC=C1C#N)[O-] C153946 [0,2,0,0,0,0|0,0,2]=4 1298 B9R1.1 C1=C[N+](=CC=C1CO)[O-] P168730 [0,2,0,0,0,0|1,0,1]=4 1299 B9R1.1 C=CC1=CC=C(C=C1)Br B102167 [0,2,0,0,0,0|2,0,0]=4 1300 B9R1.1 C=CC1=CC=C(C=C1)Cl C121719 [0,2,0,0,0,0|2,0,0]=4 1301 B9R1.1 C=CC1=CC=C(C=C1)F F107117 [0,2,0,0,0,0|2,0,0]=4 1302 B9R1.1 C=CC1=CC=C(C=C1)F F407667 [0,2,0,0,0,0|2,0,0]=4 1303 B9R1.1 C=CC1=CC=C(C=C1)N A151485 [0,2,0,0,0,0|1,0,0]=3 1304 B9R1.1 C=CC1=CC=C(C=C1)O H189096 [0,2,0,0,0,0|2,0,0]=4 1305 B9R1.1 CC1=CC=C(C=C1)C#C E106375 [0,2,0,0,0,0|2,0,0]=4 1306 B9R1.1 CC1=CC=C(C=C1)C#N P160229 [0,2,0,0,0,0|1,0,1]=4 1307 B9R1.1 CC1=CC=C(C=C1)C=C M158348 [0,2,0,0,0,0|2,0,0]=4 1308 B9R1.1 CC1=CC=C(C=C1)C=O M105910 [0,2,0,0,0,0|2,0,0]=4 1309 B9R1.1 CC1=CC=C(C=C1)CBr M109534 [0,2,0,0,0,0|2,0,0]=4 1310 B9R1.1 CC1=CC=C(C=C1)CCl A101683 [0,2,0,0,0,0|2,0,0]=4 1311 B9R1.1 CC1=CC=C(C=C1)CCl A164460 [0,2,0,0,0,0|2,0,0]=4 1312 B9R1.1 CC1=CC=C(C=C1)CN M158669 [0,2,0,0,0,0|1,0,0]=3 1313 B9R1.1 CC1=CC=C(C=C1)CO M113648 [0,2,0,0,0,0|2,0,0]=4 1314 B9R1.1 CC1=CC=C(C=C1)CS M113646 [0,2,0,0,0,0|2,0,0]=4 1315 B9R1.1 CC1=CC=C(C=C1)NC N159024 [0,2,0,0,0,0|1,0,0]=3 1316 B9R1.1 CC1=CC=C(C=C1)NN T109603 [0,2,0,0,0,0|1,0,0]=3 1317 B9R1.1 CC1=CC=C(C=C1)OC M106728 [0,2,0,0,0,0|2,0,0]=4 1318 B9R1.1 CC1=CC=C(C=C1)SC M101848 [0,2,0,0,0,0|2,0,0]=4 1319 B9R1.1 CC1=CN=C(C=C1)CN M589171 [0,2,0,0,0,0|2,0,0]=4 1320 B9R1.1 CCC1=CC=C(C=C1)Br B101890 [0,2,0,0,0,0|2,0,0]=4 1321 B9R1.1 CCC1=CC=C(C=C1)Br B141181 [0,2,0,0,0,0|2,0,0]=4 1322 B9R1.1 CCC1=CC=C(C=C1)C E123489 [0,2,0,0,0,0|2,0,0]=4 1323 B9R1.1 CCC1=CC=C(C=C1)Cl C171229 [0,2,0,0,0,0|2,0,0]=4 1324 B9R1.1 CCC1=CC=C(C=C1)I E189089 [0,2,0,0,0,0|2,0,0]=4 1325 B9R1.1 CCC1=CC=C(C=C1)N E102230 [0,2,0,0,0,0|1,0,0]=3 1326 B9R1.1 CCC1=CC=C(C=C1)O E115497 [0,2,0,0,0,0|2,0,0]=4 1327 B9R1.1 CCC1=CC=C(C=C1)S E156190 [0,2,0,0,0,0|2,0,0]=4 1328 B9R1.1 CCC1=CN=C(C=C1)N E587963 [0,2,0,0,0,0|2,0,0]=4 1329 B9R1.1 CC[N+]1=CC=C(C=C1)C E303436 [0,2,0,0,0,0|1,0,1]=4 1330 B9R1.1 CNC1=CC=C(C=C1)Br B304406 [0,2,0,0,0,0|1,0,0]=3 1331 B9R1.1 CNC1=CC=C(C=C1)Cl C139458 [0,2,0,0,0,0|1,0,0]=3 1332 B9R1.1 CNC1=CC=C(C=C1)F F170454 [0,2,0,0,0,0|1,0,0]=3 1333 B9R1.1 CNC1=CC=C(C=C1)N N589686 [0,2,0,0,0,0|1,0,0]=3 1334 B9R1.1 CNC1=CN=C(C=C1)Br B586167 [0,2,0,0,0,0|2,0,0]=4 1335 B9R1.1 COC1=CC=C(C=C1)Br B108656 [0,2,0,0,0,0|2,0,0]=4 1336 B9R1.1 COC1=CC=C(C=C1)Cl C113571 [0,2,0,0,0,0|2,0,0]=4 1337 B9R1.1 COC1=CC=C(C=C1)F F123675 [0,2,0,0,0,0|2,0,0]=4 1338 B9R1.1 COC1=CC=C(C=C1)I I107035 [0,2,0,0,0,0|2,0,0]=4 1339 B9R1.1 COC1=CC=C(C=C1)I L359048 [0,2,0,0,0,0|2,0,0]=4 1340 B9R1.1 COC1=CC=C(C=C1)N A106071 [0,2,0,0,0,0|1,0,0]=3 1341 B9R1.1 COC1=CC=C(C=C1)N A615348 [0,2,0,0,0,0|1,0,0]=3 1342 B9R1.1 COC1=CC=C(C=C1)N P160121 [0,2,0,0,0,0|1,0,0]=3 1343 B9R1.1 COC1=CC=C(C=C1)O M104222 [0,2,0,0,0,0|2,0,0]=4 1344 B9R1.1 COC1=CC=C(C=C1)S M101780 [0,2,0,0,0,0|2,0,0]=4 1345 B9R1.1 COC1=CC=C(O)C=C1 M408201 [0,2,0,0,0,0|2,0,0]=4 1346 B9R1.1 COC1=CC=[N+](C=C1)[O-] M119964 [0,2,0,0,0,0|1,0,1]=4 1347 B9R1.1 COC1=CC=[N+](C=C1)[O-] M168481 [0,2,0,0,0,0|1,0,1]=4 1348 B9R1.1 COC1=CN=C(C=C1)N M171668 [0,2,0,0,0,0|2,0,0]=4 1349 B9R1.1 COC1=NC=C(C=C1)N A151664 [0,2,0,0,0,0|2,0,0]=4 1350 B9R1.1 COC1=NC=C(C=C1)N A400674 [0,2,0,0,0,0|2,0,0]=4 1351 B9R1.1 CSC1=CC=C(C=C1)Br B101844 [0,2,0,0,0,0|2,0,0]=4 1352 B9R1.1 CSC1=CC=C(C=C1)Cl C101840 [0,2,0,0,0,0|2,0,0]=4 1353 B9R1.1 CSC1=CC=C(C=C1)F F101837 [0,2,0,0,0,0|2,0,0]=4 1354 B9R1.1 CSC1=CC=C(C=C1)N M101835 [0,2,0,0,0,0|1,0,0]=3 1355 B9R1.1 CSC1=CC=C(C=C1)O M100813 [0,2,0,0,0,0|2,0,0]=4 1356 B9R1.1 CSC1=CC=C(C=C1)S M101782 [0,2,0,0,0,0|2,0,0]=4 1357 B9R1.1 [C-]#[N+]C1=CC=C(C=C1)Br B303469 [0,2,0,0,0,0|1,0,1]=4 1358 B9R1.1 [C-]#[N+]C1=CC=C(C=C1)F F300626 [0,2,0,0,0,0|1,0,1]=4 1359 B9R1.2 C#CC1=CC(=CC=C1)Br B304581 [0,2,0,0,0,0|2,0,0]=4 1360 B9R1.2 C#CC1=CC(=CC=C1)Cl C110226 [0,2,0,0,0,0|2,0,0]=4 1361 B9R1.2 C#CC1=CC(=CC=C1)F W137137 [0,2,0,0,0,0|2,0,0]=4 1362 B9R1.2 C#CC1=CC(=CC=C1)N E109740 [0,2,0,0,0,0|1,0,0]=3 1363 B9R1.2 C#CC1=CC(=CC=C1)N E588043 [0,2,0,0,0,0|1,0,0]=3 1364 B9R1.2 C#CC1=CC(=CC=C1)O H113416 [0,2,0,0,0,0|2,0,0]=4 1365 B9R1.2 C1=C(C=NC=C1N)C#N A181298 [0,2,0,0,0,0|2,0,0]=4 1366 B9R1.2 C1=C(N=CNC1=O)NN H183514 [0,2,0,0,0,0|1,0,1]=4 1367 B9R1.2 C1=CC(=CC(=C1)Br)C#N B103597 [0,2,0,0,0,0|1,0,1]=4 1368 B9R1.2 C1=CC(=CC(=C1)Br)C=O B108056 [0,2,0,0,0,0|2,0,0]=4 1369 B9R1.2 C1=CC(=CC(=C1)Br)CBr B135903 [0,2,0,0,0,0|2,0,0]=4 1370 B9R1.2 C1=CC(=CC(=C1)Br)CCl B139457 [0,2,0,0,0,0|2,0,0]=4 1371 B9R1.2 C1=CC(=CC(=C1)Br)CN B131936 [0,2,0,0,0,0|1,0,0]=3 1372 B9R1.2 C1=CC(=CC(=C1)Br)CN B136310 [0,2,0,0,0,0|1,0,0]=3 1373 B9R1.2 C1=CC(=CC(=C1)Br)CO B103188 [0,2,0,0,0,0|2,0,0]=4 1374 B9R1.2 C1=CC(=CC(=C1)Br)NN B101715 [0,2,0,0,0,0|1,0,0]=3 1375 B9R1.2 C1=CC(=CC(=C1)Cl)C#N C137691 [0,2,0,0,0,0|1,0,1]=4 1376 B9R1.2 C1=CC(=CC(=C1)Cl)C=O C154036 [0,2,0,0,0,0|2,0,0]=4 1377 B9R1.2 C1=CC(=CC(=C1)Cl)CBr C106489 [0,2,0,0,0,0|2,0,0]=4 1378 B9R1.2 C1=CC(=CC(=C1)Cl)CCl C189170 [0,2,0,0,0,0|2,0,0]=4 1379 B9R1.2 C1=CC(=CC(=C1)Cl)CN C135515 [0,2,0,0,0,0|1,0,0]=3 1380 B9R1.2 C1=CC(=CC(=C1)Cl)CO C106488 [0,2,0,0,0,0|2,0,0]=4 1381 B9R1.2 C1=CC(=CC(=C1)Cl)NN C110270 [0,2,0,0,0,0|1,0,0]=3 1382 B9R1.2 C1=CC(=CC(=C1)F)C#N F120870 [0,2,0,0,0,0|1,0,1]=4 1383 B9R1.2 C1=CC(=CC(=C1)F)C=O F107121 [0,2,0,0,0,0|2,0,0]=4 1384 B9R1.2 C1=CC(=CC(=C1)F)CBr F107112 [0,2,0,0,0,0|2,0,0]=4 1385 B9R1.2 C1=CC(=CC(=C1)F)CCl F123352 [0,2,0,0,0,0|2,0,0]=4 1386 B9R1.2 C1=CC(=CC(=C1)F)CN F107964 [0,2,0,0,0,0|1,0,0]=3 1387 B9R1.2 C1=CC(=CC(=C1)F)CO F156601 [0,2,0,0,0,0|2,0,0]=4 1388 B9R1.2 C1=CC(=CC(=C1)F)NN F102558 [0,2,0,0,0,0|1,0,0]=3 1389 B9R1.2 C1=CC(=CC(=C1)I)C#N I103577 [0,2,0,0,0,0|1,0,1]=4 1390 B9R1.2 C1=CC(=CC(=C1)I)C=O I135884 [0,2,0,0,0,0|2,0,0]=4 1391 B9R1.2 C1=CC(=CC(=C1)I)CBr I133459 [0,2,0,0,0,0|2,0,0]=4 1392 B9R1.2 C1=CC(=CC(=C1)I)CN I113819 [0,2,0,0,0,0|1,0,0]=3 1393 B9R1.2 C1=CC(=CC(=C1)I)CN I468184 [0,2,0,0,0,0|1,0,0]=3 1394 B9R1.2 C1=CC(=CC(=C1)I)CO I157442 [0,2,0,0,0,0|2,0,0]=4 1395 B9R1.2 C1=CC(=CC(=C1)N)C#N A107198 [0,2,0,0,0,0|1,0,0]=3 1396 B9R1.2 C1=CC(=CC(=C1)N)CN A151635 [0,2,0,0,0,0|1,0,0]=3 1397 B9R1.2 C1=CC(=CC(=C1)N)CO A151125 [0,2,0,0,0,0|1,0,0]=3 1398 B9R1.2 C1=CC(=CC(=C1)O)C#N C139371 [0,2,0,0,0,0|1,0,1]=4 1399 B9R1.2 C1=CC(=CC(=C1)O)C=O H104163 [0,2,0,0,0,0|2,0,0]=4 1400 B9R1.2 C1=CC(=CC(=C1)O)CN H407384 [0,2,0,0,0,0|1,0,0]=3 1401 B9R1.2 C1=CC(=CC(=C1)O)CO H137304 [0,2,0,0,0,0|2,0,0]=4 1402 B9R1.2 C1=CC(=CC(=C1)O)CO H501150 [0,2,0,0,0,0|2,0,0]=4 1403 B9R1.2 C1=CC(=NC(=C1)Br)CN B191781 [0,2,0,0,0,0|2,0,0]=4 1404 B9R1.2 C1=CC(=NC(=C1)Br)CN B195815 [0,2,0,0,0,0|2,0,0]=4 1405 B9R1.2 C1=CC(=NC(=C1)Br)NN B152452 [0,2,0,0,0,0|2,0,0]=4 1406 B9R1.2 C1=CC(=NC(=C1)Cl)NN C153939 [0,2,0,0,0,0|2,0,0]=4 1407 B9R1.2 C1=CC(=NC(=C1)N)C#N A588907 [0,2,0,0,0,0|2,0,0]=4 1408 B9R1.2 C1=CC(=NC(=C1)N)CO A120737 [0,2,0,0,0,0|2,0,0]=4 1409 B9R1.2 C1=CN=C(C=C1Br)C#N B136977 [0,2,0,0,0,0|1,0,0]=3 1410 B9R1.2 C1=CN=C(C=C1Br)CN B177735 [0,2,0,0,0,0|1,0,0]=3 1411 B9R1.2 C1=CN=C(C=C1Br)NN B586156 [0,2,0,0,0,0|1,0,0]=3 1412 B9R1.2 C1=CN=C(C=C1C#N)Br B120785 [0,2,0,0,0,0|0,0,1]=3 1413 B9R1.2 C1=CN=C(C=C1C#N)Cl C107767 [0,2,0,0,0,0|0,0,1]=3 1414 B9R1.2 C1=CN=C(C=C1C#N)F W137222 [0,2,0,0,0,0|0,0,1]=3 1415 B9R1.2 C1=CN=C(C=C1C#N)I I166119 [0,2,0,0,0,0|0,0,1]=3 1416 B9R1.2 C1=CN=C(C=C1C#N)N A111428 [0,2,0,0,0,0|0,0,1]=3 1417 B9R1.2 C1=CN=C(C=C1C=O)Br B138072 [0,2,0,0,0,0|1,0,0]=3 1418 B9R1.2 C1=CN=C(C=C1C=O)Cl W136070 [0,2,0,0,0,0|1,0,0]=3 1419 B9R1.2 C1=CN=C(C=C1C=O)F F166943 [0,2,0,0,0,0|1,0,0]=3 1420 B9R1.2 C1=CN=C(C=C1CCl)Cl C171686 [0,2,0,0,0,0|1,0,0]=3 1421 B9R1.2 C1=CN=C(C=C1CCl)N A586528 [0,2,0,0,0,0|1,0,0]=3 1422 B9R1.2 C1=CN=C(C=C1CO)Br B124237 [0,2,0,0,0,0|1,0,0]=3 1423 B9R1.2 C1=CN=C(C=C1CO)Cl C124765 [0,2,0,0,0,0|1,0,0]=3 1424 B9R1.2 C1=CN=C(C=C1CO)N A120732 [0,2,0,0,0,0|1,0,0]=3 1425 B9R1.2 C1=CN=C(C=C1Cl)C#N C120793 [0,2,0,0,0,0|1,0,0]=3 1426 B9R1.2 C1=CN=C(C=C1Cl)C=O C176987 [0,2,0,0,0,0|1,0,0]=3 1427 B9R1.2 C1=CN=C(C=C1Cl)CCl C189999 [0,2,0,0,0,0|1,0,0]=3 1428 B9R1.2 C1=CN=C(C=C1Cl)CN C175147 [0,2,0,0,0,0|1,0,0]=3 1429 B9R1.2 C1=CN=C(C=C1F)C#N F283598 [0,2,0,0,0,0|1,0,0]=3 1430 B9R1.2 C1=CN=C(N=C1C#N)Cl C135685 [0,2,0,0,0,0|1,0,1]=4 1431 B9R1.2 C1=CN=C(N=C1C#N)N A176265 [0,2,0,0,0,0|1,0,1]=4 1432 B9R1.2 C=CC1=CC(=CC=C1)Br B121722 [0,2,0,0,0,0|2,0,0]=4 1433 B9R1.2 C=CC1=CC(=CC=C1)Cl C121720 [0,2,0,0,0,0|2,0,0]=4 1434 B9R1.2 C=CC1=CC(=CC=C1)Cl C140515 [0,2,0,0,0,0|2,0,0]=4 1435 B9R1.2 C=CC1=CC(=CC=C1)F F121724 [0,2,0,0,0,0|2,0,0]=4 1436 B9R1.2 C=CC1=CC(=CC=C1)N V138287 [0,2,0,0,0,0|1,0,0]=3 1437 B9R1.2 CC1=CC(=CC=C1)C#C E107733 [0,2,0,0,0,0|2,0,0]=4 1438 B9R1.2 CC1=CC(=CC=C1)C#N T100294 [0,2,0,0,0,0|1,0,1]=4 1439 B9R1.2 CC1=CC(=CC=C1)C=C M158347 [0,2,0,0,0,0|2,0,0]=4 1440 B9R1.2 CC1=CC(=CC=C1)C=O M157831 [0,2,0,0,0,0|2,0,0]=4 1441 B9R1.2 CC1=CC(=CC=C1)CBr B405679 [0,2,0,0,0,0|2,0,0]=4 1442 B9R1.2 CC1=CC(=CC=C1)CCl M101677 [0,2,0,0,0,0|2,0,0]=4 1443 B9R1.2 CC1=CC(=CC=C1)CN M158668 [0,2,0,0,0,0|1,0,0]=3 1444 B9R1.2 CC1=CC(=CC=C1)CO M157904 [0,2,0,0,0,0|2,0,0]=4 1445 B9R1.2 CC1=CC(=CC=C1)CS M588442 [0,2,0,0,0,0|2,0,0]=4 1446 B9R1.2 CC1=CC(=CC=C1)NC M107962 [0,2,0,0,0,0|1,0,0]=3 1447 B9R1.2 CC1=CC(=CC=C1)NN T101274 [0,2,0,0,0,0|1,0,0]=3 1448 B9R1.2 CC1=CC(=CC=C1)OC M158111 [0,2,0,0,0,0|2,0,0]=4 1449 B9R1.2 CC1=CC(=CC=C1)SC M351262 [0,2,0,0,0,0|2,0,0]=4 1450 B9R1.2 CC1=CC(=NC=C1)C#N C132269 [0,2,0,0,0,0|1,0,0]=3 1451 B9R1.2 CC1=CC(=NC=C1)C=O M124675 [0,2,0,0,0,0|1,0,0]=3 1452 B9R1.2 CC1=CC(=NC=C1)CN M586928 [0,2,0,0,0,0|1,0,0]=3 1453 B9R1.2 CC1=CC(=NC=C1)CN M588861 [0,2,0,0,0,0|1,0,0]=3 1454 B9R1.2 CC1=CC(=NC=C1)NN H589250 [0,2,0,0,0,0|1,0,0]=3 1455 B9R1.2 CC1=CC(=NC=C1)OC M122668 [0,2,0,0,0,0|1,0,0]=3 1456 B9R1.2 CC1=NC(=CC=C1)CN M194459 [0,2,0,0,0,0|2,0,0]=4 1457 B9R1.2 CC1=NC(=NC=C1)SC M124713 [0,2,0,0,0,0|2,0,0]=4 1458 B9R1.2 CC1=NC=CC(=C1)CO M573438 [0,2,0,0,0,0|1,0,0]=3 1459 B9R1.2 CC1=NC=CC(=C1)OC M183081 [0,2,0,0,0,0|1,0,0]=3 1460 B9R1.2 CCC1=CC(=CC=C1)Br B101889 [0,2,0,0,0,0|2,0,0]=4 1461 B9R1.2 CCC1=CC(=CC=C1)Cl C589677 [0,2,0,0,0,0|2,0,0]=4 1462 B9R1.2 CCC1=CC(=CC=C1)I E587883 [0,2,0,0,0,0|2,0,0]=4 1463 B9R1.2 CCC1=CC(=CC=C1)N E101873 [0,2,0,0,0,0|1,0,0]=3 1464 B9R1.2 CCC1=CC(=CC=C1)O E156226 [0,2,0,0,0,0|2,0,0]=4 1465 B9R1.2 CCC1=CC(=NC=C1)N A123353 [0,2,0,0,0,0|1,0,0]=3 1466 B9R1.2 CCC1=CC=CC(=C1)C E113367 [0,2,0,0,0,0|2,0,0]=4 1467 B9R1.2 CCC1=NC(=NC=C1)N E586542 [0,2,0,0,0,0|2,0,0]=4 1468 B9R1.2 CNC1=CC(=CC=C1)Br B194483 [0,2,0,0,0,0|1,0,0]=3 1469 B9R1.2 CNC1=CC(=CC=C1)Cl C153906 [0,2,0,0,0,0|1,0,0]=3 1470 B9R1.2 CNC1=CC(=CC=C1)F F168315 [0,2,0,0,0,0|1,0,0]=3 1471 B9R1.2 CNC1=CC(=CC=C1)O M587311 [0,2,0,0,0,0|1,0,0]=3 1472 B9R1.2 CNC1=CC(=NC=C1)F F587425 [0,2,0,0,0,0|0,0,0]=2 1473 B9R1.2 CNC1=CC(=NC=N1)Cl C194437 [0,2,0,0,0,0|1,0,0]=3 1474 B9R1.2 CNC1=NC(=CC=C1)Cl C195623 [0,2,0,0,0,0|2,0,0]=4 1475 B9R1.2 COC1=CC(=CC=C1)Br B100846 [0,2,0,0,0,0|2,0,0]=4 1476 B9R1.2 COC1=CC(=CC=C1)Cl C106486 [0,2,0,0,0,0|2,0,0]=4 1477 B9R1.2 COC1=CC(=CC=C1)F F120587 [0,2,0,0,0,0|2,0,0]=4 1478 B9R1.2 COC1=CC(=CC=C1)I I123674 [0,2,0,0,0,0|2,0,0]=4 1479 B9R1.2 COC1=CC(=CC=C1)S M101779 [0,2,0,0,0,0|2,0,0]=4 1480 B9R1.2 COC1=CC(=NC=C1)Cl C119393 [0,2,0,0,0,0|1,0,0]=3 1481 B9R1.2 COC1=CC(=NC=C1)F F182150 [0,2,0,0,0,0|1,0,0]=3 1482 B9R1.2 COC1=CC(=NC=C1)N A151667 [0,2,0,0,0,0|1,0,0]=3 1483 B9R1.2 COC1=CC(=NC=N1)Cl C120232 [0,2,0,0,0,0|2,0,0]=4 1484 B9R1.2 COC1=CC(=NN=C1)Cl C172842 [0,2,0,0,0,0|2,0,0]=4 1485 B9R1.2 COC1=CC=CC(=C1)N A107482 [0,2,0,0,0,0|1,0,0]=3 1486 B9R1.2 COC1=CC=CC(=C1)O M109432 [0,2,0,0,0,0|2,0,0]=4 1487 B9R1.2 COC1=CC=CC(=C1)[CH2-] M300737 [0,2,0,0,0,0|2,0,0]=4 1488 B9R1.2 COC1=CC=CC(=N1)N A119397 [0,2,0,0,0,0|2,0,0]=4 1489 B9R1.2 COC1=NC(=NC=C1)Cl C138524 [0,2,0,0,0,0|2,0,0]=4 1490 B9R1.2 COC1=NC=CC(=C1)Br B178692 [0,2,0,0,0,0|1,0,0]=3 1491 B9R1.2 COC1=NC=CC(=C1)Cl C186239 [0,2,0,0,0,0|1,0,0]=3 1492 B9R1.2 COC1=NC=CC(=C1)N M119976 [0,2,0,0,0,0|0,0,0]=2 1493 B9R1.2 COC1=NC=CC(=N1)N M176143 [0,2,0,0,0,0|1,0,0]=3 1494 B9R1.2 COC1=NC=NC(=C1)N A333072 [0,2,0,0,0,0|1,0,0]=3 1495 B9R1.2 CSC1=CC(=CC=C1)Br B101842 [0,2,0,0,0,0|2,0,0]=4 1496 B9R1.2 CSC1=CC(=CC=C1)Cl C101839 [0,2,0,0,0,0|2,0,0]=4 1497 B9R1.2 CSC1=CC(=NC=N1)Cl C136932 [0,2,0,0,0,0|2,0,0]=4 1498 B9R1.2 CSC1=CC=CC(=C1)F F156685 [0,2,0,0,0,0|2,0,0]=4 1499 B9R1.2 CSC1=CC=CC(=C1)N M101834 [0,2,0,0,0,0|1,0,0]=3 1500 B9R1.2 CSC1=NC=CC(=N1)Cl C123212 [0,2,0,0,0,0|2,0,0]=4 1501 B9R1.2 CSC1=NC=CC(=N1)N W135362 [0,2,0,0,0,0|1,0,0]=3 1502 B9R1.2 CSC1=NC=CC(=O)N1 M139019 [0,2,0,0,0,0|2,0,0]=4 1503 B9R1.2 [CH2-]C1=CC(=CC=C1)C#N C331829 [0,2,0,0,0,0|1,0,1]=4 1504 B9R1.6 B(C1=CC=CC=C1)(Cl)Cl D155799 [0,2,0,0,0,0|2,0,0]=4 1505 B9R1.6 B(C1=CC=CC=C1)(O)O P107045 [0,2,0,0,0,0|2,0,0]=4 1506 B9R1.6 B(C1=CC=CC=C1)(O)O P168612 [0,2,0,0,0,0|2,0,0]=4 1507 B9R1.6 B(C1=CC=CC=C1)(O)O P396095 [0,2,0,0,0,0|2,0,0]=4 1508 B9R1.6 B(C1=CC=NC=C1)(O)O P113743 [0,2,0,0,0,0|1,0,0]=3 1509 B9R1.6 C1=CC(=CN=C1)C(=N)N P160050 [0,2,0,0,0,0|2,0,0]=4 1510 B9R1.6 C1=CC(=CN=C1)C(=O)N BWY396895 [0,2,0,0,0,0|2,0,0]=4 1511 B9R1.6 C1=CC(=CN=C1)C(=O)N BWY396901 [0,2,0,0,0,0|2,0,0]=4 1512 B9R1.6 C1=CC(=CN=C1)C(=O)N N105042 [0,2,0,0,0,0|2,0,0]=4 1513 B9R1.6 C1=CC(=CN=C1)C(=O)N N105043 [0,2,0,0,0,0|2,0,0]=4 1514 B9R1.6 C1=CC(=CN=C1)C(=O)N N108086 [0,2,0,0,0,0|2,0,0]=4 1515 B9R1.6 C1=CC(=CN=C1)C(=O)N N108087 [0,2,0,0,0,0|2,0,0]=4 1516 B9R1.6 C1=CC(=CN=C1)C(=O)N N434628 [0,2,0,0,0,0|2,0,0]=4 1517 B9R1.6 C1=CC(=CN=C1)C(=S)N T161553 [0,2,0,0,0,0|2,0,0]=4 1518 B9R1.6 C1=CC=C(C=C1)C(=N)N B100938 [0,2,0,0,0,0|1,0,0]=3 1519 B9R1.6 C1=CC=C(C=C1)C(=N)N B100967 [0,2,0,0,0,0|1,0,0]=3 1520 B9R1.6 C1=CC=C(C=C1)C(=N)N B349126 [0,2,0,0,0,0|1,0,0]=3 1521 B9R1.6 C1=CC=C(C=C1)C(=N)N B422069 [0,2,0,0,0,0|1,0,0]=3 1522 B9R1.6 C1=CC=C(C=C1)C(=O)Br B152056 [0,2,0,0,0,0|2,0,0]=4 1523 B9R1.6 C1=CC=C(C=C1)C(=O)Cl B104565 [0,2,0,0,0,0|2,0,0]=4 1524 B9R1.6 C1=CC=C(C=C1)C(=O)Cl B104566 [0,2,0,0,0,0|2,0,0]=4 1525 B9R1.6 C1=CC=C(C=C1)C(=O)Cl B305868 [0,2,0,0,0,0|2,0,0]=4 1526 B9R1.6 C1=CC=C(C=C1)C(=O)F B152051 [0,2,0,0,0,0|2,0,0]=4 1527 B9R1.6 C1=CC=C(C=C1)C(=O)N B110551 [0,2,0,0,0,0|1,0,0]=3 1528 B9R1.6 C1=CC=C(C=C1)C(=O)N B110552 [0,2,0,0,0,0|1,0,0]=3 1529 B9R1.6 C1=CC=C(C=C1)C(=O)N B118608 [0,2,0,0,0,0|1,0,0]=3 1530 B9R1.6 C1=CC=C(C=C1)C(=O)O B116254 [0,2,0,0,0,0|2,0,0]=4 1531 B9R1.6 C1=CC=C(C=C1)C(=O)O B116255 [0,2,0,0,0,0|2,0,0]=4 1532 B9R1.6 C1=CC=C(C=C1)C(=O)O B116256 [0,2,0,0,0,0|2,0,0]=4 1533 B9R1.6 C1=CC=C(C=C1)C(=O)O B116259 [0,2,0,0,0,0|2,0,0]=4 1534 B9R1.6 C1=CC=C(C=C1)C(=O)O B116260 [0,2,0,0,0,0|2,0,0]=4 1535 B9R1.6 C1=CC=C(C=C1)C(=O)O B116262 [0,2,0,0,0,0|2,0,0]=4 1536 B9R1.6 C1=CC=C(C=C1)C(=O)O B117657 [0,2,0,0,0,0|2,0,0]=4 1537 B9R1.6 C1=CC=C(C=C1)C(=O)O B119541 [0,2,0,0,0,0|2,0,0]=4 1538 B9R1.6 C1=CC=C(C=C1)C(=O)O B291747 [0,2,0,0,0,0|2,0,0]=4 1539 B9R1.6 C1=CC=C(C=C1)C(=O)O B302170 [0,2,0,0,0,0|2,0,0]=4 1540 B9R1.6 C1=CC=C(C=C1)C(=O)O B425323 [0,2,0,0,0,0|2,0,0]=4 1541 B9R1.6 C1=CC=C(C=C1)C(=O)O B433248 [0,2,0,0,0,0|2,0,0]=4 1542 B9R1.6 C1=CC=C(C=C1)C(=O)S T161810 [0,2,0,0,0,0|2,0,0]=4 1543 B9R1.6 C1=CC=C(C=C1)C(=O)[O-] A112559 [0,2,0,0,0,0|2,0,0]=4 1544 B9R1.6 C1=CC=C(C=C1)C(=O)[O-] A112561 [0,2,0,0,0,0|2,0,0]=4 1545 B9R1.6 C1=CC=C(C=C1)C(=O)[O-] C347199 [0,2,0,0,0,0|2,0,0]=4 1546 B9R1.6 C1=CC=C(C=C1)C(=O)[O-] C349185 [0,2,0,0,0,0|2,0,0]=4 1547 B9R1.6 C1=CC=C(C=C1)C(=O)[O-] L102020 [0,2,0,0,0,0|2,0,0]=4 1548 B9R1.6 C1=CC=C(C=C1)C(=O)[O-] P104052 [0,2,0,0,0,0|2,0,0]=4 1549 B9R1.6 C1=CC=C(C=C1)C(=O)[O-] S104124 [0,2,0,0,0,0|2,0,0]=4 1550 B9R1.6 C1=CC=C(C=C1)C(=O)[O-] S104125 [0,2,0,0,0,0|2,0,0]=4 1551 B9R1.6 C1=CC=C(C=C1)C(=O)[O-] S104127 [0,2,0,0,0,0|2,0,0]=4 1552 B9R1.6 C1=CC=C(C=C1)C(=O)[O-] S104128 [0,2,0,0,0,0|2,0,0]=4 1553 B9R1.6 C1=CC=C(C=C1)C(=O)[O-] S124683 [0,2,0,0,0,0|2,0,0]=4 1554 B9R1.6 C1=CC=C(C=C1)C(=O)[O-] S424558 [0,2,0,0,0,0|2,0,0]=4 1555 B9R1.6 C1=CC=C(C=C1)C(=S)N T111125 [0,2,0,0,0,0|1,0,0]=3 1556 B9R1.6 C1=CC=C(C=C1)C(Br)Br D300412 [0,2,0,0,0,0|2,0,0]=4 1557 B9R1.6 C1=CC=C(C=C1)C(F)F D404169 [0,2,0,0,0,0|2,0,0]=4 1558 B9R1.6 C1=CC=C(C=C1)P(Cl)Cl P103165 [0,2,0,0,0,0|1,1,0]=4 1559 B9R1.6 C1=CC=C(C=C1)S(=O)O B589671 [0,2,0,0,0,0|2,0,0]=4 1560 B9R1.6 C1=CC=C(C=C1)S(=O)[O-] B111697 [0,2,0,0,0,0|2,0,0]=4 1561 B9R1.6 C1=CC=C(C=C1)S(=O)[O-] S131677 [0,2,0,0,0,0|2,0,0]=4 1562 B9R1.6 C1=CC=C(C=C1)[N+](=O)[O-] N116216 [0,2,0,0,0,0|1,0,1]=4 1563 B9R1.6 C1=CC=C(C=C1)[N+](=O)[O-] N116217 [0,2,0,0,0,0|1,0,1]=4 1564 B9R1.6 C1=CC=C(C=C1)[N+](=O)[O-] N116219 [0,2,0,0,0,0|1,0,1]=4 1565 B9R1.6 C1=CC=C(C=C1)[N+](=O)[O-] N116220 [0,2,0,0,0,0|1,0,1]=4 1566 B9R1.6 C1=CC=C(C=C1)[N+](=O)[O-] N116222 [0,2,0,0,0,0|1,0,1]=4 1567 B9R1.6 C1=CC=C(C=C1)[N+](=O)[O-] N123719 [0,2,0,0,0,0|1,0,1]=4 1568 B9R1.6 C1=CC=C(C=C1)[N+](=O)[O-] N346210 [0,2,0,0,0,0|1,0,1]=4 1569 B9R1.6 C1=CC=C(C=C1)[P+](=O)O P160701 [0,2,0,0,0,0|1,1,0]=4 1570 B9R1.6 C1=CC=C(C=C1)[Se](=O)O B152925 [0,2,0,0,0,0|2,0,0]=4 1571 B9R1.6 C1=CC=NC(=C1)C(=N)N A130010 [0,2,0,0,0,0|2,0,0]=4 1572 B9R1.6 C1=CC=NC(=C1)C(=O)N P138238 [0,2,0,0,0,0|2,0,0]=4 1573 B9R1.6 C1=CN=CC=C1C(=N)N A134096 [0,2,0,0,0,0|0,0,0]=2 1574 B9R1.6 C1=CN=CC=C1C(=N)N A184477 [0,2,0,0,0,0|0,0,0]=2 1575 B9R1.6 C1=CN=CC=C1C(=O)Cl I107934 [0,2,0,0,0,0|1,0,0]=3 1576 B9R1.6 C1=CN=CC=C1C(=O)N I106833 [0,2,0,0,0,0|0,0,0]=2 1577 B9R1.6 C1=CN=CC=C1C(=O)O I101094 [0,2,0,0,0,0|1,0,0]=3 1578 B9R1.6 C1=CN=CC=C1C(=O)O I424705 [0,2,0,0,0,0|1,0,0]=3 1579 B9R1.6 C1=CN=CC=C1C(=O)[O-] S161415 [0,2,0,0,0,0|1,0,0]=3 1580 B9R1.6 C1=CN=CC=C1C(=S)N T161552 [0,2,0,0,0,0|0,0,0]=2 1581 B9R1.6 C1=CN=CC=C1[N+](=O)[O-] N586401 [0,2,0,0,0,0|0,0,1]=3 1582 B9R1.6 C1=CN=CN=C1C(=O)O P133791 [0,2,0,0,0,0|2,0,0]=4 1583 B9R1.6 C1=CN=NC=C1C(=O)O P133462 [0,2,0,0,0,0|2,0,0]=4 1584 B9R1.6 C=C(C1=CC=CC=C1)Br A189239 [0,2,0,0,0,0|2,0,0]=4 1585 B9R1.6 CC(=C)C1=CC=CC=C1 M104900 [0,2,0,0,0,0|2,0,0]=4 1586 B9R1.6 CC(=C)C1=CC=CC=C1 M104901 [0,2,0,0,0,0|2,0,0]=4 1587 B9R1.6 CC(=C)C1=CC=CC=C1 P347730 [0,2,0,0,0,0|2,0,0]=4 1588 B9R1.6 CC(=C)C1=CC=CC=C1 P491419 [0,2,0,0,0,0|2,0,0]=4 1589 B9R1.6 CC(=O)C1=CC=CC=C1 A103666 [0,2,0,0,0,0|2,0,0]=4 1590 B9R1.6 CC(=O)C1=CC=CC=C1 A103667 [0,2,0,0,0,0|2,0,0]=4 1591 B9R1.6 CC(=O)C1=CC=CC=C1 A103669 [0,2,0,0,0,0|2,0,0]=4 1592 B9R1.6 CC(=O)C1=CC=CC=C1 A427211 [0,2,0,0,0,0|2,0,0]=4 1593 B9R1.6 CC(=O)C1=CC=CC=C1 A471960 [0,2,0,0,0,0|2,0,0]=4 1594 B9R1.6 CC(=O)C1=CC=CC=C1 A474131 [0,2,0,0,0,0|2,0,0]=4 1595 B9R1.6 CC(=O)C1=CC=CC=C1 A474138 [0,2,0,0,0,0|2,0,0]=4 1596 B9R1.6 CC(=O)C1=CC=NC=C1 A102942 [0,2,0,0,0,0|1,0,0]=3 1597 B9R1.6 CC(=O)C1=CN=NC=C1 P176647 [0,2,0,0,0,0|2,0,0]=4 1598 B9R1.6 CC(C)C1=CC=CC=C1 I101049 [0,2,0,0,0,0|2,0,0]=4 1599 B9R1.6 CC(C)C1=CC=CC=C1 I101050 [0,2,0,0,0,0|2,0,0]=4 1600 B9R1.6 CC(C)C1=CC=CC=C1 I101052 [0,2,0,0,0,0|2,0,0]=4 1601 B9R1.6 CC(C)C1=CC=NC=C1 I136834 [0,2,0,0,0,0|1,0,0]=3 1602 B9R1.6 CC(C1=CC=CC=C1)Br B104540 [0,2,0,0,0,0|2,0,0]=4 1603 B9R1.6 CC(C1=CC=CC=C1)Cl C107586 [0,2,0,0,0,0|2,0,0]=4 1604 B9R1.6 CC(C1=CC=CC=C1)N M105678 [0,2,0,0,0,0|1,0,0]=3 1605 B9R1.6 CC(C1=CC=CC=C1)N M105679 [0,2,0,0,0,0|1,0,0]=3 1606 B9R1.6 CC(C1=CC=CC=C1)N M106714 [0,2,0,0,0,0|1,0,0]=3 1607 B9R1.6 CC(C1=CC=CC=C1)N M141280 [0,2,0,0,0,0|1,0,0]=3 1608 B9R1.6 CC(C1=CC=CC=C1)N R432669 [0,2,0,0,0,0|1,0,0]=3 1609 B9R1.6 CC(C1=CC=CC=C1)N R432670 [0,2,0,0,0,0|1,0,0]=3 1610 B9R1.6 CC(C1=CC=CC=C1)N R432682 [0,2,0,0,0,0|1,0,0]=3 1611 B9R1.6 CC(C1=CC=CC=C1)N S135224 [0,2,0,0,0,0|1,0,0]=3 1612 B9R1.6 CC(C1=CC=CC=C1)N S432505 [0,2,0,0,0,0|1,0,0]=3 1613 B9R1.6 CC(C1=CC=CC=C1)O P100878 [0,2,0,0,0,0|2,0,0]=4 1614 B9R1.6 CC(C1=CC=CC=C1)O P103660 [0,2,0,0,0,0|2,0,0]=4 1615 B9R1.6 CC(C1=CC=CC=C1)O P113820 [0,2,0,0,0,0|2,0,0]=4 1616 B9R1.6 CC(C1=CC=CC=C1)O P165285 [0,2,0,0,0,0|2,0,0]=4 1617 B9R1.6 CC(C1=CC=CC=N1)N P589080 [0,2,0,0,0,0|2,0,0]=4 1618 B9R1.6 CC(C1=CC=NC=C1)N A467309 [0,2,0,0,0,0|0,0,0]=2 1619 B9R1.6 CC(C1=CC=NC=C1)O I170921 [0,2,0,0,0,0|1,0,0]=3 1620 B9R1.6 CC(C1=CC=NC=C1)O R192493 [0,2,0,0,0,0|1,0,0]=3 1621 B9R1.6 CC(C1=CN=CC=C1)N P193948 [0,2,0,0,0,0|2,0,0]=4 1622 B9R1.6 CN(C)C1=CC=CC=C1 D100060 [0,2,0,0,0,0|1,0,0]=3 1623 B9R1.6 CN(C)C1=CC=CC=C1 D100061 [0,2,0,0,0,0|1,0,0]=3 1624 B9R1.6 CN(C)C1=CC=CC=C1 D100063 [0,2,0,0,0,0|1,0,0]=3 1625 B9R1.6 CN(C)C1=CC=CC=N1 D154133 [0,2,0,0,0,0|2,0,0]=4 1626 B9R1.6 CN(C)C1=CC=NC=C1 C405558 [0,2,0,0,0,0|0,0,0]=2 1627 B9R1.6 CN(C)C1=CC=NC=C1 D109207 [0,2,0,0,0,0|0,0,0]=2 1628 B9R1.6 CN(C)C1=CC=NC=C1 D155582 [0,2,0,0,0,0|0,0,0]=2 1629 B9R1.6 CN(C1=CC=CC=C1)N M298692 [0,2,0,0,0,0|1,0,0]=3 1630 B9R1.6 CP(C)C1=CC=CC=C1 C118698 [0,2,0,0,0,0|1,1,0]=4 1631 B9R1.6 CP(C)C1=CC=CC=C1 D115603 [0,2,0,0,0,0|1,1,0]=4 1632 B9R1.6 CS(=O)C1=CC=CC=C1 M158079 [0,2,0,0,0,0|2,0,0]=4 1633 B9R1.6 CS(=O)C1=CC=CC=C1 M464276 [0,2,0,0,0,0|2,0,0]=4 1634 B9R1.6 C[Si](=O)C1=CC=CC=C1 P331251 [0,2,0,0,0,0|2,0,0]=4 1635 B9R1.6 C[Si](C)C1=CC=CC=C1 D111809 [0,2,0,0,0,0|2,0,0]=4 1636 B9R1.6 NC(=O)C1=CC=CN=C1 N407906 [0,2,0,0,0,0|2,0,0]=4 1637 B9R1.8 C1=CC(=CN=C1)CCN A151786 [0,2,0,0,0,0|2,0,0]=4 1638 B9R1.8 C1=CC(=CN=C1)CCN A169450 [0,2,0,0,0,0|2,0,0]=4 1639 B9R1.8 C1=CC=C(C=C1)C#CBr B464040 [0,2,0,0,0,0|2,0,0]=4 1640 B9R1.8 C1=CC=C(C=C1)C#CCl C464026 [0,2,0,0,0,0|2,0,0]=4 1641 B9R1.8 C1=CC=C(C=C1)C=CBr B152003 [0,2,0,0,0,0|2,0,0]=4 1642 B9R1.8 C1=CC=C(C=C1)C=NN B589372 [0,2,0,0,0,0|1,0,0]=3 1643 B9R1.8 C1=CC=C(C=C1)C=NO T135657 [0,2,0,0,0,0|1,0,1]=4 1644 B9R1.8 C1=CC=C(C=C1)CC=O P105078 [0,2,0,0,0,0|2,0,0]=4 1645 B9R1.8 C1=CC=C(C=C1)CC=O P105080 [0,2,0,0,0,0|2,0,0]=4 1646 B9R1.8 C1=CC=C(C=C1)CC=O P420978 [0,2,0,0,0,0|2,0,0]=4 1647 B9R1.8 C1=CC=C(C=C1)CCBr B106895 [0,2,0,0,0,0|2,0,0]=4 1648 B9R1.8 C1=CC=C(C=C1)CCCl C136679 [0,2,0,0,0,0|2,0,0]=4 1649 B9R1.8 C1=CC=C(C=C1)CCI I138375 [0,2,0,0,0,0|2,0,0]=4 1650 B9R1.8 C1=CC=C(C=C1)CCN P105641 [0,2,0,0,0,0|1,0,0]=3 1651 B9R1.8 C1=CC=C(C=C1)CCN P160641 [0,2,0,0,0,0|1,0,0]=3 1652 B9R1.8 C1=CC=C(C=C1)CCN P290339 [0,2,0,0,0,0|1,0,0]=3 1653 B9R1.8 C1=CC=C(C=C1)CCN P408003 [0,2,0,0,0,0|1,0,0]=3 1654 B9R1.8 C1=CC=C(C=C1)CCN P421867 [0,2,0,0,0,0|1,0,0]=3 1655 B9R1.8 C1=CC=C(C=C1)CCN P425250 [0,2,0,0,0,0|1,0,0]=3 1656 B9R1.8 C1=CC=C(C=C1)CCN P491880 [0,2,0,0,0,0|1,0,0]=3 1657 B9R1.8 C1=CC=C(C=C1)CCN P493037 [0,2,0,0,0,0|1,0,0]=3 1658 B9R1.8 C1=CC=C(C=C1)CCN P493125 [0,2,0,0,0,0|1,0,0]=3 1659 B9R1.8 C1=CC=C(C=C1)CCO P108195 [0,2,0,0,0,0|2,0,0]=4 1660 B9R1.8 C1=CC=C(C=C1)CCO P108197 [0,2,0,0,0,0|2,0,0]=4 1661 B9R1.8 C1=CC=C(C=C1)CCO P424995 [0,2,0,0,0,0|2,0,0]=4 1662 B9R1.8 C1=CC=C(C=C1)CCS P160530 [0,2,0,0,0,0|2,0,0]=4 1663 B9R1.8 C1=CC=C(C=C1)CNN B122576 [0,2,0,0,0,0|1,0,0]=3 1664 B9R1.8 C1=CC=C(C=C1)CNN B137990 [0,2,0,0,0,0|1,0,0]=3 1665 B9R1.8 C1=CC=C(C=C1)CNN B464175 [0,2,0,0,0,0|1,0,0]=3 1666 B9R1.8 C1=CC=C(C=C1)CNO I137166 [0,2,0,0,0,0|1,0,0]=3 1667 B9R1.8 C1=CC=C(C=C1)CON O159948 [0,2,0,0,0,0|1,0,0]=3 1668 B9R1.8 C1=CC=C(C=C1)CON O189173 [0,2,0,0,0,0|1,0,0]=3 1669 B9R1.8 C1=CC=C(C=C1)N=C=O P304914 [0,2,0,0,0,0|1,0,1]=4 1670 B9R1.8 C1=CC=C(C=C1)N=C=S P110634 [0,2,0,0,0,0|1,0,1]=4 1671 B9R1.8 C1=CC=C(C=C1)N=C=S P110635 [0,2,0,0,0,0|1,0,1]=4 1672 B9R1.8 C1=CC=C(C=C1)N=C=S P110636 [0,2,0,0,0,0|1,0,1]=4 1673 B9R1.8 C1=CC=C(C=C1)N=S=O N159148 [0,2,0,0,0,0|1,0,1]=4 1674 B9R1.8 C1=CC=C(C=C1)N=[N+]=[N-] A462925 [0,2,0,0,0,0|1,0,1]=4 1675 B9R1.8 C1=CC=C(C=C1)NC=O F112354 [0,2,0,0,0,0|1,0,0]=3 1676 B9R1.8 C1=CC=C(C=C1)OC=O P305264 [0,2,0,0,0,0|2,0,0]=4 1677 B9R1.8 C1=CC=C(C=C1)SCCl C101827 [0,2,0,0,0,0|2,0,0]=4 1678 B9R1.8 C1=CC=C(C=C1)[Se]C#N P168654 [0,2,0,0,0,0|1,0,1]=4 1679 B9R1.8 C1=CC=NC(=C1)CCN A151790 [0,2,0,0,0,0|2,0,0]=4 1680 B9R1.8 C1=CN=CC=C1C=NO P160054 [0,2,0,0,0,0|0,0,1]=3 1681 B9R1.8 C1=CN=CC=C1CC#N D302357 [0,2,0,0,0,0|0,0,1]=3 1682 B9R1.8 C1=CN=CC=C1CC#N P304979 [0,2,0,0,0,0|0,0,1]=3 1683 B9R1.8 C1=CN=CC=C1CCN A109738 [0,2,0,0,0,0|0,0,0]=2 1684 B9R1.8 C1=CN=CC=C1CCS P134707 [0,2,0,0,0,0|1,0,0]=3 1685 B9R1.8 C1=CN=CC=C1CCS P478833 [0,2,0,0,0,0|1,0,0]=3 1686 B9R1.8 C=CCC1=CC=CC=C1 A101037 [0,2,0,0,0,0|2,0,0]=4 1687 B9R1.8 C=CSC1=CC=CC=C1 P101810 [0,2,0,0,0,0|2,0,0]=4 1688 B9R1.8 C=C[CH-]C1=CC=CC=C1 P129181 [0,2,0,0,0,0|2,0,0]=4 1689 B9R1.8 CC#CC1=CC=CC=C1 P141240 [0,2,0,0,0,0|2,0,0]=4 1690 B9R1.8 CC=CC1=CC=CC=C1 C153576 [0,2,0,0,0,0|2,0,0]=4 1691 B9R1.8 CC=CC1=CC=CC=C1 M136687 [0,2,0,0,0,0|2,0,0]=4 1692 B9R1.8 CC=CC1=CC=CC=C1 T134052 [0,2,0,0,0,0|2,0,0]=4 1693 B9R1.8 CC=CC1=CC=CC=C1 T301941 [0,2,0,0,0,0|2,0,0]=4 1694 B9R1.8 CCCC1=CC=CC=C1 P104621 [0,2,0,0,0,0|2,0,0]=4 1695 B9R1.8 CCCC1=CC=CC=C1 P104624 [0,2,0,0,0,0|2,0,0]=4 1696 B9R1.8 CCCC1=CC=CC=C1 P104625 [0,2,0,0,0,0|2,0,0]=4 1697 B9R1.8 CCCC1=CC=CC=C1 P104626 [0,2,0,0,0,0|2,0,0]=4 1698 B9R1.8 CCCC1=CC=CC=C1 P128158 [0,2,0,0,0,0|2,0,0]=4 1699 B9R1.8 CCCC1=CC=NC=C1 P160632 [0,2,0,0,0,0|1,0,0]=3 1700 B9R1.8 CCNC1=CC=CC=C1 E103974 [0,2,0,0,0,0|1,0,0]=3 1701 B9R1.8 CCOC1=CC=CC=C1 E108654 [0,2,0,0,0,0|2,0,0]=4 1702 B9R1.8 CCOC1=CC=CC=C1 E108655 [0,2,0,0,0,0|2,0,0]=4 1703 B9R1.8 CCSC1=CC=CC=C1 E101809 [0,2,0,0,0,0|2,0,0]=4 1704 B9R1.8 CNCC1=CC=CC=C1 B106919 [0,2,0,0,0,0|1,0,0]=3 1705 B9R1.8 CNCC1=CC=CC=N1 M168526 [0,2,0,0,0,0|2,0,0]=4 1706 B9R1.8 CNCC1=CN=CC=C1 M138441 [0,2,0,0,0,0|2,0,0]=4 1707 B9R1.8 COCC1=CC=CC=C1 B103161 [0,2,0,0,0,0|2,0,0]=4 1708 B9R1.8 COCC1=CC=CC=C1 B591251 [0,2,0,0,0,0|2,0,0]=4 1709 B9R1.8 CSCC1=CC=CC=C1 B152510 [0,2,0,0,0,0|2,0,0]=4 1710 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 B153177 [0,2,0,0,0,0|1,0,1]=4 1711 B9R1.15 C#CC1=C(N=CC=C1)N E194525 [0,2,0,0,0,0|2,0,0]=4 1712 B9R1.15 C#CC1=CC=CC=C1Br B405186 [0,2,0,0,0,0|2,0,0]=4 1713 B9R1.15 C#CC1=CC=CC=C1Cl W134592 [0,2,0,0,0,0|2,0,0]=4 1714 B9R1.15 C#CC1=CC=CC=C1F E135295 [0,2,0,0,0,0|2,0,0]=4 1715 B9R1.15 C#CC1=CC=CC=C1N E176686 [0,2,0,0,0,0|1,0,0]=3 1716 B9R1.15 C1=C(C(=NC=N1)Cl)C#N C587541 [0,2,0,0,0,0|2,0,0]=4 1717 B9R1.15 C1=C(C(=NC=N1)N)C#N W131915 [0,2,0,0,0,0|1,0,0]=3 1718 B9R1.15 C1=C(C(=O)NC=N1)C#N H184681 [0,2,0,0,0,0|2,0,0]=4 1719 B9R1.15 C1=CC(=C(N=C1)N)C#N A123148 [0,2,0,0,0,0|2,0,0]=4 1720 B9R1.15 C1=CC(=C(N=C1)N)C=O A115308 [0,2,0,0,0,0|2,0,0]=4 1721 B9R1.15 C1=CC(=C(N=C1)N)CO A119400 [0,2,0,0,0,0|2,0,0]=4 1722 B9R1.15 C1=CC(=C(N=C1)NN)Cl C182994 [0,2,0,0,0,0|2,0,0]=4 1723 B9R1.15 C1=CC=C(C(=C1)C#N)Br B113773 [0,2,0,0,0,0|1,0,1]=4 1724 B9R1.15 C1=CC=C(C(=C1)C#N)Cl C105958 [0,2,0,0,0,0|1,0,1]=4 1725 B9R1.15 C1=CC=C(C(=C1)C#N)F F120868 [0,2,0,0,0,0|1,0,1]=4 1726 B9R1.15 C1=CC=C(C(=C1)C#N)I I103576 [0,2,0,0,0,0|1,0,1]=4 1727 B9R1.15 C1=CC=C(C(=C1)C#N)I I130037 [0,2,0,0,0,0|1,0,1]=4 1728 B9R1.15 C1=CC=C(C(=C1)C#N)N A107481 [0,2,0,0,0,0|1,0,0]=3 1729 B9R1.15 C1=CC=C(C(=C1)C#N)O H103175 [0,2,0,0,0,0|1,0,1]=4 1730 B9R1.15 C1=CC=C(C(=C1)C=O)Br B109684 [0,2,0,0,0,0|2,0,0]=4 1731 B9R1.15 C1=CC=C(C(=C1)C=O)Cl C108294 [0,2,0,0,0,0|2,0,0]=4 1732 B9R1.15 C1=CC=C(C(=C1)C=O)Cl C108295 [0,2,0,0,0,0|2,0,0]=4 1733 B9R1.15 C1=CC=C(C(=C1)C=O)Cl C108296 [0,2,0,0,0,0|2,0,0]=4 1734 B9R1.15 C1=CC=C(C(=C1)C=O)F F107119 [0,2,0,0,0,0|2,0,0]=4 1735 B9R1.15 C1=CC=C(C(=C1)C=O)I I124157 [0,2,0,0,0,0|2,0,0]=4 1736 B9R1.15 C1=CC=C(C(=C1)C=O)N A100686 [0,2,0,0,0,0|1,0,0]=3 1737 B9R1.15 C1=CC=C(C(=C1)C=O)O S103742 [0,2,0,0,0,0|2,0,0]=4 1738 B9R1.15 C1=CC=C(C(=C1)C=O)O S103743 [0,2,0,0,0,0|2,0,0]=4 1739 B9R1.15 C1=CC=C(C(=C1)C=O)O S103745 [0,2,0,0,0,0|2,0,0]=4 1740 B9R1.15 C1=CC=C(C(=C1)C=O)O S103746 [0,2,0,0,0,0|2,0,0]=4 1741 B9R1.15 C1=CC=C(C(=C1)CBr)Br B124758 [0,2,0,0,0,0|2,0,0]=4 1742 B9R1.15 C1=CC=C(C(=C1)CBr)Cl C135217 [0,2,0,0,0,0|2,0,0]=4 1743 B9R1.15 C1=CC=C(C(=C1)CBr)F F107111 [0,2,0,0,0,0|2,0,0]=4 1744 B9R1.15 C1=CC=C(C(=C1)CBr)I I101707 [0,2,0,0,0,0|2,0,0]=4 1745 B9R1.15 C1=CC=C(C(=C1)CBr)I I131028 [0,2,0,0,0,0|2,0,0]=4 1746 B9R1.15 C1=CC=C(C(=C1)CCl)Cl C136424 [0,2,0,0,0,0|2,0,0]=4 1747 B9R1.15 C1=CC=C(C(=C1)CCl)F F104448 [0,2,0,0,0,0|2,0,0]=4 1748 B9R1.15 C1=CC=C(C(=C1)CCl)I I472524 [0,2,0,0,0,0|2,0,0]=4 1749 B9R1.15 C1=CC=C(C(=C1)CN)Br B136382 [0,2,0,0,0,0|1,0,0]=3 1750 B9R1.15 C1=CC=C(C(=C1)CN)Br B184269 [0,2,0,0,0,0|1,0,0]=3 1751 B9R1.15 C1=CC=C(C(=C1)CN)Cl C100661 [0,2,0,0,0,0|1,0,0]=3 1752 B9R1.15 C1=CC=C(C(=C1)CN)Cl C298505 [0,2,0,0,0,0|1,0,0]=3 1753 B9R1.15 C1=CC=C(C(=C1)CN)F F122768 [0,2,0,0,0,0|1,0,0]=3 1754 B9R1.15 C1=CC=C(C(=C1)CN)O A195905 [0,2,0,0,0,0|1,0,0]=3 1755 B9R1.15 C1=CC=C(C(=C1)CO)Br B135325 [0,2,0,0,0,0|2,0,0]=4 1756 B9R1.15 C1=CC=C(C(=C1)CO)Cl C101747 [0,2,0,0,0,0|2,0,0]=4 1757 B9R1.15 C1=CC=C(C(=C1)CO)F F156600 [0,2,0,0,0,0|2,0,0]=4 1758 B9R1.15 C1=CC=C(C(=C1)CO)I I157441 [0,2,0,0,0,0|2,0,0]=4 1759 B9R1.15 C1=CC=C(C(=C1)CO)N A151122 [0,2,0,0,0,0|1,0,0]=3 1760 B9R1.15 C1=CC=C(C(=C1)CO)O H106789 [0,2,0,0,0,0|2,0,0]=4 1761 B9R1.15 C1=CC=C(C(=C1)CO)O H426756 [0,2,0,0,0,0|2,0,0]=4 1762 B9R1.15 C1=CC=C(C(=C1)CS)Br B101794 [0,2,0,0,0,0|2,0,0]=4 1763 B9R1.15 C1=CC=C(C(=C1)CS)Cl C101788 [0,2,0,0,0,0|2,0,0]=4 1764 B9R1.15 C1=CC=C(C(=C1)NN)Br B101712 [0,2,0,0,0,0|1,0,0]=3 1765 B9R1.15 C1=CC=C(C(=C1)NN)Cl C106485 [0,2,0,0,0,0|1,0,0]=3 1766 B9R1.15 C1=CC=C(C(=C1)NN)F F101710 [0,2,0,0,0,0|1,0,0]=3 1767 B9R1.15 C1=CN=CC(=C1C#N)Br B138205 [0,2,0,0,0,0|0,0,1]=3 1768 B9R1.15 C1=CN=CC(=C1C#N)Cl C123028 [0,2,0,0,0,0|0,0,1]=3 1769 B9R1.15 C1=CN=CC(=C1C=O)Br B120658 [0,2,0,0,0,0|1,0,0]=3 1770 B9R1.15 C1=CN=CC(=C1C=O)Cl C120657 [0,2,0,0,0,0|1,0,0]=3 1771 B9R1.15 C1=CN=CC(=C1C=O)F F120653 [0,2,0,0,0,0|1,0,0]=3 1772 B9R1.15 C1=CN=CC(=C1C=O)O H182294 [0,2,0,0,0,0|1,0,0]=3 1773 B9R1.15 C1=CN=CC(=C1CO)Br B132477 [0,2,0,0,0,0|1,0,0]=3 1774 B9R1.15 C1=CN=CC(=C1CO)F F177786 [0,2,0,0,0,0|1,0,0]=3 1775 B9R1.15 C1=CN=CC(=C1CO)N A167487 [0,2,0,0,0,0|1,0,0]=3 1776 B9R1.15 C1=CN=CC(=C1Cl)C=O C172130 [0,2,0,0,0,0|1,0,0]=3 1777 B9R1.15 C1=CN=CC(=C1Cl)CO C587861 [0,2,0,0,0,0|1,0,0]=3 1778 B9R1.15 C1=CN=CC(=C1N)C=O A479063 [0,2,0,0,0,0|0,0,0]=2 1779 B9R1.15 C1=CN=CC(=C1N)CO A167140 [0,2,0,0,0,0|0,0,0]=2 1780 B9R1.15 C=CC1=CC=CC=C1Br B102182 [0,2,0,0,0,0|2,0,0]=4 1781 B9R1.15 C=CC1=CC=CC=C1Br B140775 [0,2,0,0,0,0|2,0,0]=4 1782 B9R1.15 C=CC1=CC=CC=C1Cl C121721 [0,2,0,0,0,0|2,0,0]=4 1783 B9R1.15 C=CC1=CC=CC=C1Cl C492343 [0,2,0,0,0,0|2,0,0]=4 1784 B9R1.15 C=CC1=CC=CC=C1F F121723 [0,2,0,0,0,0|2,0,0]=4 1785 B9R1.15 C=CC1=CC=CC=C1F F398479 [0,2,0,0,0,0|2,0,0]=4 1786 B9R1.15 C=CC1=CC=CC=C1N V303619 [0,2,0,0,0,0|1,0,0]=3 1787 B9R1.15 CC1=C(C=NC=C1)C#N C135007 [0,2,0,0,0,0|1,0,0]=3 1788 B9R1.15 CC1=C(N=CC=C1)CN A482619 [0,2,0,0,0,0|2,0,0]=4 1789 B9R1.15 CC1=CC=CC=C1C#C E117998 [0,2,0,0,0,0|2,0,0]=4 1790 B9R1.15 CC1=CC=CC=C1C#N T103037 [0,2,0,0,0,0|1,0,1]=4 1791 B9R1.15 CC1=CC=CC=C1C=C M100795 [0,2,0,0,0,0|2,0,0]=4 1792 B9R1.15 CC1=CC=CC=C1C=O O159892 [0,2,0,0,0,0|2,0,0]=4 1793 B9R1.15 CC1=CC=CC=C1CBr M139409 [0,2,0,0,0,0|2,0,0]=4 1794 B9R1.15 CC1=CC=CC=C1CCl M101671 [0,2,0,0,0,0|2,0,0]=4 1795 B9R1.15 CC1=CC=CC=C1CN M158667 [0,2,0,0,0,0|1,0,0]=3 1796 B9R1.15 CC1=CC=CC=C1CO M157901 [0,2,0,0,0,0|2,0,0]=4 1797 B9R1.15 CC1=CC=CC=C1CS M300495 [0,2,0,0,0,0|2,0,0]=4 1798 B9R1.15 CC1=CC=CC=C1NC N159021 [0,2,0,0,0,0|1,0,0]=3 1799 B9R1.15 CC1=CC=CC=C1NN T101278 [0,2,0,0,0,0|1,0,0]=3 1800 B9R1.15 CC1=CC=CC=C1OC M158113 [0,2,0,0,0,0|2,0,0]=4 1801 B9R1.15 CCC1=CC=CC=C1Br B138432 [0,2,0,0,0,0|2,0,0]=4 1802 B9R1.15 CCC1=CC=CC=C1C E140581 [0,2,0,0,0,0|2,0,0]=4 1803 B9R1.15 CCC1=CC=CC=C1I E189052 [0,2,0,0,0,0|2,0,0]=4 1804 B9R1.15 CCC1=CC=CC=C1N E106226 [0,2,0,0,0,0|1,0,0]=3 1805 B9R1.15 CCC1=CC=CC=C1O E156225 [0,2,0,0,0,0|2,0,0]=4 1806 B9R1.15 CCC1=CC=CC=C1S E101792 [0,2,0,0,0,0|2,0,0]=4 1807 B9R1.15 CCC1=NC=NC=C1F E173725 [0,2,0,0,0,0|2,0,0]=4 1808 B9R1.15 CNC1=C(C=CC=N1)N N589280 [0,2,0,0,0,0|2,0,0]=4 1809 B9R1.15 CNC1=CC=CC=C1Br B186004 [0,2,0,0,0,0|1,0,0]=3 1810 B9R1.15 CNC1=CC=CC=C1Cl C153908 [0,2,0,0,0,0|1,0,0]=3 1811 B9R1.15 CNC1=CC=CC=C1F F132815 [0,2,0,0,0,0|1,0,0]=3 1812 B9R1.15 CNC1=CC=CC=C1N I134172 [0,2,0,0,0,0|1,0,0]=3 1813 B9R1.15 CNC1=CC=CC=C1N M106013 [0,2,0,0,0,0|1,0,0]=3 1814 B9R1.15 CNC1=CC=CC=C1O M194184 [0,2,0,0,0,0|1,0,0]=3 1815 B9R1.15 COC1=C(C=CC=N1)N M102591 [0,2,0,0,0,0|2,0,0]=4 1816 B9R1.15 COC1=C(C=NC=C1)I I195672 [0,2,0,0,0,0|1,0,0]=3 1817 B9R1.15 COC1=C(C=NC=C1)N A192813 [0,2,0,0,0,0|1,0,0]=3 1818 B9R1.15 COC1=C(N=CC=C1)N A165482 [0,2,0,0,0,0|2,0,0]=4 1819 B9R1.15 COC1=CC=CC=C1Br B109257 [0,2,0,0,0,0|2,0,0]=4 1820 B9R1.15 COC1=CC=CC=C1Cl C110652 [0,2,0,0,0,0|2,0,0]=4 1821 B9R1.15 COC1=CC=CC=C1F F120586 [0,2,0,0,0,0|2,0,0]=4 1822 B9R1.15 COC1=CC=CC=C1I I101929 [0,2,0,0,0,0|2,0,0]=4 1823 B9R1.15 COC1=CC=CC=C1N A103995 [0,2,0,0,0,0|1,0,0]=3 1824 B9R1.15 COC1=CC=CC=C1N A103997 [0,2,0,0,0,0|1,0,0]=3 1825 B9R1.15 COC1=CC=CC=C1N A141230 [0,2,0,0,0,0|1,0,0]=3 1826 B9R1.15 COC1=CC=CC=C1N O160024 [0,2,0,0,0,0|1,0,0]=3 1827 B9R1.15 COC1=CC=CC=C1O G112735 [0,2,0,0,0,0|2,0,0]=4 1828 B9R1.15 COC1=CC=CC=C1O G426764 [0,2,0,0,0,0|2,0,0]=4 1829 B9R1.15 COC1=CC=CC=C1S M101778 [0,2,0,0,0,0|2,0,0]=4 1830 B9R1.15 CSC1=CC=CC=C1Br B101843 [0,2,0,0,0,0|2,0,0]=4 1831 B9R1.15 CSC1=CC=CC=C1Cl C101838 [0,2,0,0,0,0|2,0,0]=4 1832 B9R1.15 CSC1=CC=CC=C1F F101836 [0,2,0,0,0,0|2,0,0]=4 1833 B9R1.15 CSC1=CC=CC=C1N M158418 [0,2,0,0,0,0|1,0,0]=3 1834 B9R1.15 CSC1=CC=CC=C1O M101847 [0,2,0,0,0,0|2,0,0]=4 1835 B9R1.15 [C-]#[N+]C1=CC=CC=C1Cl C299739 [0,2,0,0,0,0|1,0,1]=4 1836 B9R1.69 C1=C(C(=CN=C1Br)Cl)Cl B586208 [0,2,0,0,0,0|1,0,0]=3 1837 B9R1.69 C1=C(C(=CN=C1Br)F)I B586284 [0,2,0,0,0,0|1,0,0]=3 1838 B9R1.69 C1=C(C(=CN=C1Cl)Br)Cl B195297 [0,2,0,0,0,0|1,0,0]=3 1839 B9R1.69 C1=C(C(=CN=C1Cl)Br)I B184327 [0,2,0,0,0,0|1,0,0]=3 1840 B9R1.69 C1=C(C(=CN=C1Cl)Br)N B134047 [0,2,0,0,0,0|0,0,0]=2 1841 B9R1.69 C1=C(C(=CN=C1Cl)Cl)Cl T176794 [0,2,0,0,0,0|1,0,0]=3 1842 B9R1.69 C1=C(C(=CN=C1Cl)Cl)I D590206 [0,2,0,0,0,0|1,0,0]=3 1843 B9R1.69 C1=C(C(=CN=C1Cl)F)I C195528 [0,2,0,0,0,0|1,0,0]=3 1844 B9R1.69 C1=C(C(=CN=C1Cl)N)I C406435 [0,2,0,0,0,0|1,0,0]=3 1845 B9R1.69 C1=C(C(=CN=C1Cl)O)I C590475 [0,2,0,0,0,0|1,0,0]=3 1846 B9R1.69 C1=C(C(=CN=C1F)Br)Cl B586518 [0,2,0,0,0,0|1,0,0]=3 1847 B9R1.69 C1=C(C(=CN=C1F)Cl)F C587748 [0,2,0,0,0,0|1,0,0]=3 1848 B9R1.69 C1=C(C(=CN=C1F)Cl)I C589811 [0,2,0,0,0,0|1,0,0]=3 1849 B9R1.69 C1=C(C(=CN=C1F)F)Cl C590342 [0,2,0,0,0,0|1,0,0]=3 1850 B9R1.69 C1=C(C(=CN=C1F)F)I D178774 [0,2,0,0,0,0|1,0,0]=3 1851 B9R1.69 C1=C(C(=CN=C1N)Br)Cl B178386 [0,2,0,0,0,0|1,0,0]=3 1852 B9R1.69 C1=C(C(=CN=C1N)Cl)Br B179962 [0,2,0,0,0,0|1,0,0]=3 1853 B9R1.69 C1=C(C(=CN=C1N)Cl)Cl D175321 [0,2,0,0,0,0|1,0,0]=3 1854 B9R1.69 C1=C(C(=CN=C1N)I)Br B573563 [0,2,0,0,0,0|1,0,0]=3 1855 B9R1.69 C1=C(C(=CN=C1N)I)Cl C480400 [0,2,0,0,0,0|1,0,0]=3 1856 B9R1.69 C1=C(C(=CN=C1N)I)F F578857 [0,2,0,0,0,0|1,0,0]=3 1857 B9R1.69 C1=C(C(=CNC1=O)Br)F B587741 [0,2,0,0,0,0|1,0,1]=4 1858 B9R1.69 C1=C(C(=CNC1=O)Cl)O G129778 [0,2,0,0,0,0|1,0,1]=4 1859 B9R1.69 C1=C(C(=NC(=N1)Br)Br)F D587090 [0,2,0,0,0,0|2,0,0]=4 1860 B9R1.69 C1=C(C(=NC(=N1)Cl)Br)F B587249 [0,2,0,0,0,0|2,0,0]=4 1861 B9R1.69 C1=C(C(=NC(=N1)Cl)Cl)Br B122732 [0,2,0,0,0,0|2,0,0]=4 1862 B9R1.69 C1=C(C(=NC(=N1)Cl)Cl)Cl T116108 [0,2,0,0,0,0|2,0,0]=4 1863 B9R1.69 C1=C(C(=NC(=N1)Cl)Cl)F D119251 [0,2,0,0,0,0|2,0,0]=4 1864 B9R1.69 C1=C(C(=NC(=N1)Cl)Cl)I D119253 [0,2,0,0,0,0|2,0,0]=4 1865 B9R1.69 C1=C(C(=NC(=N1)Cl)Cl)N A123458 [0,2,0,0,0,0|2,0,0]=4 1866 B9R1.69 C1=C(C(=NC(=N1)Cl)N)Br A121855 [0,2,0,0,0,0|1,0,0]=3 1867 B9R1.69 C1=C(C(=NC(=N1)Cl)N)F C132651 [0,2,0,0,0,0|1,0,0]=3 1868 B9R1.69 C1=C(C(=NC(=N1)N)Cl)Br B171803 [0,2,0,0,0,0|2,0,0]=4 1869 B9R1.69 C1=C(C(=NC(=N1)N)N)O C336624 [0,2,0,0,0,0|1,0,0]=3 1870 B9R1.69 C1=C(C(=NN=C1Br)N)Br D586587 [0,2,0,0,0,0|2,0,0]=4 1871 B9R1.69 C1=C(C(=NN=C1Cl)Cl)Br B189430 [0,2,0,0,0,0|2,0,0]=4 1872 B9R1.69 C1=C(C(=NN=C1Cl)Cl)Cl T162652 [0,2,0,0,0,0|2,0,0]=4 1873 B9R1.69 C1=C(C(=NN=C1Cl)Cl)N D186768 [0,2,0,0,0,0|1,0,0]=3 1874 B9R1.69 C1=C(C(=NN=C1Cl)N)Br A480333 [0,2,0,0,0,0|2,0,0]=4 1875 B9R1.69 C1=C(C(=O)NC(=N1)Cl)F C181747 [0,2,0,0,0,0|2,0,0]=4 1876 B9R1.69 C1=C(C(=O)NC=C1Br)N A128911 [0,2,0,0,0,0|2,0,0]=4 1877 B9R1.69 C1=C(C(=O)NN=C1Cl)Br B590761 [0,2,0,0,0,0|2,0,0]=4 1878 B9R1.69 C1=C(C=NC(=C1Br)Cl)N A120067 [0,2,0,0,0,0|2,0,0]=4 1879 B9R1.69 C1=C(C=NC(=C1Br)N)Br A151580 [0,2,0,0,0,0|2,0,0]=4 1880 B9R1.69 C1=C(C=NC(=C1Br)N)Cl A102589 [0,2,0,0,0,0|2,0,0]=4 1881 B9R1.69 C1=C(C=NC(=C1Br)N)F A102590 [0,2,0,0,0,0|2,0,0]=4 1882 B9R1.69 C1=C(C=NC(=C1Br)N)I P177213 [0,2,0,0,0,0|2,0,0]=4 1883 B9R1.69 C1=C(C=NC(=C1Br)N)N B469818 [0,2,0,0,0,0|2,0,0]=4 1884 B9R1.69 C1=C(C=NC(=C1Cl)Br)N A181062 [0,2,0,0,0,0|2,0,0]=4 1885 B9R1.69 C1=C(C=NC(=C1Cl)Cl)N D122388 [0,2,0,0,0,0|2,0,0]=4 1886 B9R1.69 C1=C(C=NC(=C1Cl)N)Br A184168 [0,2,0,0,0,0|2,0,0]=4 1887 B9R1.69 C1=C(C=NC(=C1Cl)N)Cl A151577 [0,2,0,0,0,0|2,0,0]=4 1888 B9R1.69 C1=C(C=NC(=C1Cl)N)F C190127 [0,2,0,0,0,0|2,0,0]=4 1889 B9R1.69 C1=C(C=NC(=C1F)Cl)N C190328 [0,2,0,0,0,0|2,0,0]=4 1890 B9R1.69 C1=C(C=NC(=C1F)N)Br B177355 [0,2,0,0,0,0|2,0,0]=4 1891 B9R1.69 C1=C(C=NC(=C1F)N)Cl W135722 [0,2,0,0,0,0|2,0,0]=4 1892 B9R1.69 C1=C(C=NC(=C1F)N)F A186304 [0,2,0,0,0,0|2,0,0]=4 1893 B9R1.69 C1=C(C=NC(=C1F)N)I F573535 [0,2,0,0,0,0|2,0,0]=4 1894 B9R1.69 C1=C(C=NC(=C1I)N)Br A151582 [0,2,0,0,0,0|2,0,0]=4 1895 B9R1.69 C1=C(C=NC(=C1I)N)Cl C132073 [0,2,0,0,0,0|2,0,0]=4 1896 B9R1.69 C1=C(C=NC(=C1I)N)F A186765 [0,2,0,0,0,0|2,0,0]=4 1897 B9R1.69 C1=C(C=NC(=C1I)N)I a168881 [0,2,0,0,0,0|2,0,0]=4 1898 B9R1.69 C1=C(C=NC(=C1N)Br)Br D178138 [0,2,0,0,0,0|2,0,0]=4 1899 B9R1.69 C1=C(C=NC(=C1N)Br)Cl A151585 [0,2,0,0,0,0|2,0,0]=4 1900 B9R1.69 C1=C(C=NC(=C1N)Br)F A119665 [0,2,0,0,0,0|2,0,0]=4 1901 B9R1.69 C1=C(C=NC(=C1N)Br)I B166039 [0,2,0,0,0,0|2,0,0]=4 1902 B9R1.69 C1=C(C=NC(=C1N)Cl)Br A102588 [0,2,0,0,0,0|2,0,0]=4 1903 B9R1.69 C1=C(C=NC(=C1N)Cl)Cl A136471 [0,2,0,0,0,0|2,0,0]=4 1904 B9R1.69 C1=C(C=NC(=C1N)N)Br D123444 [0,2,0,0,0,0|2,0,0]=4 1905 B9R1.69 C1=C(C=NC(=C1N)N)Cl D169084 [0,2,0,0,0,0|2,0,0]=4 1906 B9R1.69 C1=C(C=NC(=C1O)N)Br A151583 [0,2,0,0,0,0|2,0,0]=4 1907 B9R1.69 C1=C(C=NC(=C1O)N)Cl A184404 [0,2,0,0,0,0|2,0,0]=4 1908 B9R1.69 C1=C(NC=C(C1=O)F)Cl C586549 [0,2,0,0,0,0|1,0,1]=4 1909 B9R1.69 C1=CC(=C(C=C1Br)Br)Cl D588618 [0,2,0,0,0,0|2,0,0]=4 1910 B9R1.69 C1=CC(=C(C=C1Br)Br)F D122667 [0,2,0,0,0,0|2,0,0]=4 1911 B9R1.69 C1=CC(=C(C=C1Br)Br)I D587922 [0,2,0,0,0,0|2,0,0]=4 1912 B9R1.69 C1=CC(=C(C=C1Br)Br)N D101877 [0,2,0,0,0,0|1,0,0]=3 1913 B9R1.69 C1=CC(=C(C=C1Br)Br)O D133947 [0,2,0,0,0,0|2,0,0]=4 1914 B9R1.69 C1=CC(=C(C=C1Br)Cl)Br D137190 [0,2,0,0,0,0|2,0,0]=4 1915 B9R1.69 C1=CC(=C(C=C1Br)Cl)Cl B102024 [0,2,0,0,0,0|2,0,0]=4 1916 B9R1.69 C1=CC(=C(C=C1Br)Cl)F B122630 [0,2,0,0,0,0|2,0,0]=4 1917 B9R1.69 C1=CC(=C(C=C1Br)Cl)I B136229 [0,2,0,0,0,0|2,0,0]=4 1918 B9R1.69 C1=CC(=C(C=C1Br)Cl)N B136301 [0,2,0,0,0,0|1,0,0]=3 1919 B9R1.69 C1=CC(=C(C=C1Br)Cl)O B138789 [0,2,0,0,0,0|2,0,0]=4 1920 B9R1.69 C1=CC(=C(C=C1Br)F)Br D121044 [0,2,0,0,0,0|2,0,0]=4 1921 B9R1.69 C1=CC(=C(C=C1Br)F)Cl B122632 [0,2,0,0,0,0|2,0,0]=4 1922 B9R1.69 C1=CC(=C(C=C1Br)F)F B136570 [0,2,0,0,0,0|2,0,0]=4 1923 B9R1.69 C1=CC(=C(C=C1Br)F)I F115512 [0,2,0,0,0,0|2,0,0]=4 1924 B9R1.69 C1=CC(=C(C=C1Br)F)N B115549 [0,2,0,0,0,0|1,0,0]=3 1925 B9R1.69 C1=CC(=C(C=C1Br)F)O B152993 [0,2,0,0,0,0|2,0,0]=4 1926 B9R1.69 C1=CC(=C(C=C1Br)I)Cl B590154 [0,2,0,0,0,0|2,0,0]=4 1927 B9R1.69 C1=CC(=C(C=C1Br)I)F B179765 [0,2,0,0,0,0|2,0,0]=4 1928 B9R1.69 C1=CC(=C(C=C1Br)I)I B405335 [0,2,0,0,0,0|2,0,0]=4 1929 B9R1.69 C1=CC(=C(C=C1Br)I)N B152057 [0,2,0,0,0,0|1,0,0]=3 1930 B9R1.69 C1=CC(=C(C=C1Br)I)O B152695 [0,2,0,0,0,0|2,0,0]=4 1931 B9R1.69 C1=CC(=C(C=C1Br)N)Br D138742 [0,2,0,0,0,0|1,0,0]=3 1932 B9R1.69 C1=CC(=C(C=C1Br)N)Cl B185533 [0,2,0,0,0,0|1,0,0]=3 1933 B9R1.69 C1=CC(=C(C=C1Br)N)F B122475 [0,2,0,0,0,0|1,0,0]=3 1934 B9R1.69 C1=CC(=C(C=C1Br)N)N B122633 [0,2,0,0,0,0|1,0,0]=3 1935 B9R1.69 C1=CC(=C(C=C1Br)N)O A123465 [0,2,0,0,0,0|1,0,0]=3 1936 B9R1.69 C1=CC(=C(C=C1Br)O)Br D183406 [0,2,0,0,0,0|2,0,0]=4 1937 B9R1.69 C1=CC(=C(C=C1Br)O)Cl B120837 [0,2,0,0,0,0|2,0,0]=4 1938 B9R1.69 C1=CC(=C(C=C1Br)O)F B120822 [0,2,0,0,0,0|2,0,0]=4 1939 B9R1.69 C1=CC(=C(C=C1Br)O)N A184169 [0,2,0,0,0,0|1,0,0]=3 1940 B9R1.69 C1=CC(=C(C=C1Br)O)O B123682 [0,2,0,0,0,0|2,0,0]=4 1941 B9R1.69 C1=CC(=C(C=C1Cl)Br)Cl B167285 [0,2,0,0,0,0|2,0,0]=4 1942 B9R1.69 C1=CC(=C(C=C1Cl)Br)F B132950 [0,2,0,0,0,0|2,0,0]=4 1943 B9R1.69 C1=CC(=C(C=C1Cl)Br)I B293765 [0,2,0,0,0,0|2,0,0]=4 1944 B9R1.69 C1=CC(=C(C=C1Cl)Br)N B134593 [0,2,0,0,0,0|1,0,0]=3 1945 B9R1.69 C1=CC(=C(C=C1Cl)Br)O B152691 [0,2,0,0,0,0|2,0,0]=4 1946 B9R1.69 C1=CC(=C(C=C1Cl)Cl)Br B101631 [0,2,0,0,0,0|2,0,0]=4 1947 B9R1.69 C1=CC(=C(C=C1Cl)Cl)Cl T103299 [0,2,0,0,0,0|2,0,0]=4 1948 B9R1.69 C1=CC(=C(C=C1Cl)Cl)Cl T103300 [0,2,0,0,0,0|2,0,0]=4 1949 B9R1.69 C1=CC(=C(C=C1Cl)Cl)Cl T103301 [0,2,0,0,0,0|2,0,0]=4 1950 B9R1.69 C1=CC(=C(C=C1Cl)Cl)Cl T103302 [0,2,0,0,0,0|2,0,0]=4 1951 B9R1.69 C1=CC(=C(C=C1Cl)Cl)Cl T103303 [0,2,0,0,0,0|2,0,0]=4 1952 B9R1.69 C1=CC(=C(C=C1Cl)Cl)Cl T119674 [0,2,0,0,0,0|2,0,0]=4 1953 B9R1.69 C1=CC(=C(C=C1Cl)Cl)F D107754 [0,2,0,0,0,0|2,0,0]=4 1954 B9R1.69 C1=CC(=C(C=C1Cl)Cl)I D169376 [0,2,0,0,0,0|2,0,0]=4 1955 B9R1.69 C1=CC(=C(C=C1Cl)Cl)N D103990 [0,2,0,0,0,0|1,0,0]=3 1956 B9R1.69 C1=CC(=C(C=C1Cl)Cl)O D104288 [0,2,0,0,0,0|2,0,0]=4 1957 B9R1.69 C1=CC(=C(C=C1Cl)Cl)O D104289 [0,2,0,0,0,0|2,0,0]=4 1958 B9R1.69 C1=CC(=C(C=C1Cl)Cl)O D117194 [0,2,0,0,0,0|2,0,0]=4 1959 B9R1.69 C1=CC(=C(C=C1Cl)Cl)O D472060 [0,2,0,0,0,0|2,0,0]=4 1960 B9R1.69 C1=CC(=C(C=C1Cl)Cl)S D101769 [0,2,0,0,0,0|2,0,0]=4 1961 B9R1.69 C1=CC(=C(C=C1Cl)F)Br B120582 [0,2,0,0,0,0|2,0,0]=4 1962 B9R1.69 C1=CC(=C(C=C1Cl)F)Cl D120589 [0,2,0,0,0,0|2,0,0]=4 1963 B9R1.69 C1=CC(=C(C=C1Cl)F)F C121041 [0,2,0,0,0,0|2,0,0]=4 1964 B9R1.69 C1=CC(=C(C=C1Cl)F)I C113580 [0,2,0,0,0,0|2,0,0]=4 1965 B9R1.69 C1=CC(=C(C=C1Cl)F)N C122487 [0,2,0,0,0,0|1,0,0]=3 1966 B9R1.69 C1=CC(=C(C=C1Cl)F)O C122587 [0,2,0,0,0,0|2,0,0]=4 1967 B9R1.69 C1=CC(=C(C=C1Cl)I)Br B181605 [0,2,0,0,0,0|2,0,0]=4 1968 B9R1.69 C1=CC(=C(C=C1Cl)I)Cl D135761 [0,2,0,0,0,0|2,0,0]=4 1969 B9R1.69 C1=CC(=C(C=C1Cl)I)N C124466 [0,2,0,0,0,0|1,0,0]=3 1970 B9R1.69 C1=CC(=C(C=C1Cl)I)O C153519 [0,2,0,0,0,0|2,0,0]=4 1971 B9R1.69 C1=CC(=C(C=C1Cl)N)Br B135902 [0,2,0,0,0,0|1,0,0]=3 1972 B9R1.69 C1=CC(=C(C=C1Cl)N)Cl D103985 [0,2,0,0,0,0|1,0,0]=3 1973 B9R1.69 C1=CC(=C(C=C1Cl)N)Cl D141227 [0,2,0,0,0,0|1,0,0]=3 1974 B9R1.69 C1=CC(=C(C=C1Cl)N)F C122488 [0,2,0,0,0,0|1,0,0]=3 1975 B9R1.69 C1=CC(=C(C=C1Cl)N)I C122523 [0,2,0,0,0,0|1,0,0]=3 1976 B9R1.69 C1=CC(=C(C=C1Cl)N)N C122655 [0,2,0,0,0,0|1,0,0]=3 1977 B9R1.69 C1=CC(=C(C=C1Cl)N)O A107175 [0,2,0,0,0,0|1,0,0]=3 1978 B9R1.69 C1=CC(=C(C=C1Cl)N)S A101758 [0,2,0,0,0,0|1,0,0]=3 1979 B9R1.69 C1=CC(=C(C=C1Cl)O)Br B181326 [0,2,0,0,0,0|2,0,0]=4 1980 B9R1.69 C1=CC(=C(C=C1Cl)O)Cl D106518 [0,2,0,0,0,0|2,0,0]=4 1981 B9R1.69 C1=CC(=C(C=C1Cl)O)Cl D106519 [0,2,0,0,0,0|2,0,0]=4 1982 B9R1.69 C1=CC(=C(C=C1Cl)O)F C182325 [0,2,0,0,0,0|2,0,0]=4 1983 B9R1.69 C1=CC(=C(C=C1Cl)O)N A169264 [0,2,0,0,0,0|1,0,0]=3 1984 B9R1.69 C1=CC(=C(C=C1Cl)O)O C153242 [0,2,0,0,0,0|2,0,0]=4 1985 B9R1.69 C1=CC(=C(C=C1Cl)S)Cl D101770 [0,2,0,0,0,0|2,0,0]=4 1986 B9R1.69 C1=CC(=C(C=C1Cl)S)N A183043 [0,2,0,0,0,0|1,0,0]=3 1987 B9R1.69 C1=CC(=C(C=C1F)Br)Br D155246 [0,2,0,0,0,0|2,0,0]=4 1988 B9R1.69 C1=CC(=C(C=C1F)Br)Cl B122629 [0,2,0,0,0,0|2,0,0]=4 1989 B9R1.69 C1=CC(=C(C=C1F)Br)F B152646 [0,2,0,0,0,0|2,0,0]=4 1990 B9R1.69 C1=CC(=C(C=C1F)Br)I B152643 [0,2,0,0,0,0|2,0,0]=4 1991 B9R1.69 C1=CC(=C(C=C1F)Br)N B124495 [0,2,0,0,0,0|1,0,0]=3 1992 B9R1.69 C1=CC(=C(C=C1F)Br)O B101654 [0,2,0,0,0,0|2,0,0]=4 1993 B9R1.69 C1=CC(=C(C=C1F)Cl)Br B152639 [0,2,0,0,0,0|2,0,0]=4 1994 B9R1.69 C1=CC(=C(C=C1F)Cl)Cl D120633 [0,2,0,0,0,0|2,0,0]=4 1995 B9R1.69 C1=CC(=C(C=C1F)Cl)F C133122 [0,2,0,0,0,0|2,0,0]=4 1996 B9R1.69 C1=CC(=C(C=C1F)Cl)N C124474 [0,2,0,0,0,0|1,0,0]=3 1997 B9R1.69 C1=CC(=C(C=C1F)Cl)O C124476 [0,2,0,0,0,0|2,0,0]=4 1998 B9R1.69 C1=CC(=C(C=C1F)F)Br B101610 [0,2,0,0,0,0|2,0,0]=4 1999 B9R1.69 C1=CC(=C(C=C1F)F)Cl C154104 [0,2,0,0,0,0|2,0,0]=4 2000 B9R1.69 C1=CC(=C(C=C1F)F)F T161823 [0,2,0,0,0,0|2,0,0]=4 2001 B9R1.69 C1=CC(=C(C=C1F)F)I D121034 [0,2,0,0,0,0|2,0,0]=4 2002 B9R1.69 C1=CC(=C(C=C1F)F)N D135481 [0,2,0,0,0,0|1,0,0]=3 2003 B9R1.69 C1=CC(=C(C=C1F)F)O D120804 [0,2,0,0,0,0|2,0,0]=4 2004 B9R1.69 C1=CC(=C(C=C1F)F)S D101762 [0,2,0,0,0,0|2,0,0]=4 2005 B9R1.69 C1=CC(=C(C=C1F)I)Br W132543 [0,2,0,0,0,0|2,0,0]=4 2006 B9R1.69 C1=CC(=C(C=C1F)I)Cl C480720 [0,2,0,0,0,0|2,0,0]=4 2007 B9R1.69 C1=CC(=C(C=C1F)I)F D155245 [0,2,0,0,0,0|2,0,0]=4 2008 B9R1.69 C1=CC(=C(C=C1F)I)N F156710 [0,2,0,0,0,0|1,0,0]=3 2009 B9R1.69 C1=CC(=C(C=C1F)I)O F192457 [0,2,0,0,0,0|2,0,0]=4 2010 B9R1.69 C1=CC(=C(C=C1F)N)Br B104223 [0,2,0,0,0,0|1,0,0]=3 2011 B9R1.69 C1=CC(=C(C=C1F)N)Cl C122485 [0,2,0,0,0,0|1,0,0]=3 2012 B9R1.69 C1=CC(=C(C=C1F)N)F D155252 [0,2,0,0,0,0|1,0,0]=3 2013 B9R1.69 C1=CC(=C(C=C1F)N)I F122495 [0,2,0,0,0,0|1,0,0]=3 2014 B9R1.69 C1=CC(=C(C=C1F)N)N F129142 [0,2,0,0,0,0|1,0,0]=3 2015 B9R1.69 C1=CC(=C(C=C1F)N)O A124264 [0,2,0,0,0,0|1,0,0]=3 2016 B9R1.69 C1=CC(=C(C=C1F)O)Br B120807 [0,2,0,0,0,0|2,0,0]=4 2017 B9R1.69 C1=CC(=C(C=C1F)O)F D122593 [0,2,0,0,0,0|2,0,0]=4 2018 B9R1.69 C1=CC(=C(C=C1F)O)N A122546 [0,2,0,0,0,0|1,0,0]=3 2019 B9R1.69 C1=CC(=C(C=C1I)Br)Br D404265 [0,2,0,0,0,0|2,0,0]=4 2020 B9R1.69 C1=CC(=C(C=C1I)Br)Cl B183644 [0,2,0,0,0,0|2,0,0]=4 2021 B9R1.69 C1=CC(=C(C=C1I)Br)F B186720 [0,2,0,0,0,0|2,0,0]=4 2022 B9R1.69 C1=CC(=C(C=C1I)Br)N B183496 [0,2,0,0,0,0|1,0,0]=3 2023 B9R1.69 C1=CC(=C(C=C1I)Cl)Br B185063 [0,2,0,0,0,0|2,0,0]=4 2024 B9R1.69 C1=CC(=C(C=C1I)Cl)Cl D122906 [0,2,0,0,0,0|2,0,0]=4 2025 B9R1.69 C1=CC(=C(C=C1I)Cl)F W132261 [0,2,0,0,0,0|2,0,0]=4 2026 B9R1.69 C1=CC(=C(C=C1I)Cl)N C153882 [0,2,0,0,0,0|1,0,0]=3 2027 B9R1.69 C1=CC(=C(C=C1I)Cl)O C573565 [0,2,0,0,0,0|2,0,0]=4 2028 B9R1.69 C1=CC(=C(C=C1I)F)Br B115513 [0,2,0,0,0,0|2,0,0]=4 2029 B9R1.69 C1=CC(=C(C=C1I)F)Cl C191932 [0,2,0,0,0,0|2,0,0]=4 2030 B9R1.69 C1=CC(=C(C=C1I)F)F D115538 [0,2,0,0,0,0|2,0,0]=4 2031 B9R1.69 C1=CC(=C(C=C1I)F)I F587320 [0,2,0,0,0,0|2,0,0]=4 2032 B9R1.69 C1=CC(=C(C=C1I)F)N F103156 [0,2,0,0,0,0|1,0,0]=3 2033 B9R1.69 C1=CC(=C(C=C1I)F)O F588508 [0,2,0,0,0,0|2,0,0]=4 2034 B9R1.69 C1=CC(=C(C=C1I)O)Br B590757 [0,2,0,0,0,0|2,0,0]=4 2035 B9R1.69 C1=CC(=C(C=C1I)O)Cl C183453 [0,2,0,0,0,0|2,0,0]=4 2036 B9R1.69 C1=CC(=C(C=C1N)Br)Cl B124252 [0,2,0,0,0,0|1,0,0]=3 2037 B9R1.69 C1=CC(=C(C=C1N)Br)F B122474 [0,2,0,0,0,0|1,0,0]=3 2038 B9R1.69 C1=CC(=C(C=C1N)Br)I B187197 [0,2,0,0,0,0|1,0,0]=3 2039 B9R1.69 C1=CC(=C(C=C1N)Br)N B586996 [0,2,0,0,0,0|1,0,0]=3 2040 B9R1.69 C1=CC(=C(C=C1N)Br)O A124279 [0,2,0,0,0,0|1,0,0]=3 2041 B9R1.69 C1=CC(=C(C=C1N)Cl)Br B122508 [0,2,0,0,0,0|1,0,0]=3 2042 B9R1.69 C1=CC(=C(C=C1N)Cl)Br B122509 [0,2,0,0,0,0|1,0,0]=3 2043 B9R1.69 C1=CC(=C(C=C1N)Cl)Cl D113551 [0,2,0,0,0,0|1,0,0]=3 2044 B9R1.69 C1=CC(=C(C=C1N)Cl)Cl D113552 [0,2,0,0,0,0|1,0,0]=3 2045 B9R1.69 C1=CC(=C(C=C1N)Cl)F C106553 [0,2,0,0,0,0|1,0,0]=3 2046 B9R1.69 C1=CC(=C(C=C1N)Cl)F C106554 [0,2,0,0,0,0|1,0,0]=3 2047 B9R1.69 C1=CC(=C(C=C1N)Cl)I C138172 [0,2,0,0,0,0|1,0,0]=3 2048 B9R1.69 C1=CC(=C(C=C1N)Cl)N C134388 [0,2,0,0,0,0|1,0,0]=3 2049 B9R1.69 C1=CC(=C(C=C1N)Cl)N C153793 [0,2,0,0,0,0|1,0,0]=3 2050 B9R1.69 C1=CC(=C(C=C1N)Cl)O A151243 [0,2,0,0,0,0|1,0,0]=3 2051 B9R1.69 C1=CC(=C(C=C1N)Cl)O A406730 [0,2,0,0,0,0|1,0,0]=3 2052 B9R1.69 C1=CC(=C(C=C1N)F)Br B124324 [0,2,0,0,0,0|1,0,0]=3 2053 B9R1.69 C1=CC(=C(C=C1N)F)Cl C120498 [0,2,0,0,0,0|1,0,0]=3 2054 B9R1.69 C1=CC(=C(C=C1N)F)F D155253 [0,2,0,0,0,0|1,0,0]=3 2055 B9R1.69 C1=CC(=C(C=C1N)F)N F167391 [0,2,0,0,0,0|1,0,0]=3 2056 B9R1.69 C1=CC(=C(C=C1N)I)Cl C194015 [0,2,0,0,0,0|1,0,0]=3 2057 B9R1.69 C1=CC(=C(C=C1N)I)O A464039 [0,2,0,0,0,0|1,0,0]=3 2058 B9R1.69 C1=CC(=C(C=C1N)N)Cl C134670 [0,2,0,0,0,0|1,0,0]=3 2059 B9R1.69 C1=CC(=C(C=C1N)N)F F122661 [0,2,0,0,0,0|1,0,0]=3 2060 B9R1.69 C1=CC(=C(C=C1N)N)N T162209 [0,2,0,0,0,0|1,0,0]=3 2061 B9R1.69 C1=CC(=C(C=C1N)N)O A151245 [0,2,0,0,0,0|1,0,0]=3 2062 B9R1.69 C1=CC(=C(C=C1N)N)O A151538 [0,2,0,0,0,0|1,0,0]=3 2063 B9R1.69 C1=CC(=C(C=C1N)N)O D154509 [0,2,0,0,0,0|1,0,0]=3 2064 B9R1.69 C1=CC(=C(C=C1N)O)Cl A139126 [0,2,0,0,0,0|1,0,0]=3 2065 B9R1.69 C1=CC(=C(C=C1N)O)O A191179 [0,2,0,0,0,0|1,0,0]=3 2066 B9R1.69 C1=CC(=C(C=C1O)Br)Cl B181327 [0,2,0,0,0,0|2,0,0]=4 2067 B9R1.69 C1=CC(=C(C=C1O)Br)F B137152 [0,2,0,0,0,0|2,0,0]=4 2068 B9R1.69 C1=CC(=C(C=C1O)Br)I B573584 [0,2,0,0,0,0|2,0,0]=4 2069 B9R1.69 C1=CC(=C(C=C1O)Br)O B153212 [0,2,0,0,0,0|2,0,0]=4 2070 B9R1.69 C1=CC(=C(C=C1O)Cl)Br B123471 [0,2,0,0,0,0|2,0,0]=4 2071 B9R1.69 C1=CC(=C(C=C1O)Cl)Cl D106520 [0,2,0,0,0,0|2,0,0]=4 2072 B9R1.69 C1=CC(=C(C=C1O)Cl)Cl D106521 [0,2,0,0,0,0|2,0,0]=4 2073 B9R1.69 C1=CC(=C(C=C1O)Cl)F C120812 [0,2,0,0,0,0|2,0,0]=4 2074 B9R1.69 C1=CC(=C(C=C1O)Cl)N A121105 [0,2,0,0,0,0|1,0,0]=3 2075 B9R1.69 C1=CC(=C(C=C1O)Cl)N A191581 [0,2,0,0,0,0|1,0,0]=3 2076 B9R1.69 C1=CC(=C(C=C1O)Cl)O C133523 [0,2,0,0,0,0|2,0,0]=4 2077 B9R1.69 C1=CC(=C(C=C1O)F)Br B120805 [0,2,0,0,0,0|2,0,0]=4 2078 B9R1.69 C1=CC(=C(C=C1O)F)Cl C122588 [0,2,0,0,0,0|2,0,0]=4 2079 B9R1.69 C1=CC(=C(C=C1O)F)F D120810 [0,2,0,0,0,0|2,0,0]=4 2080 B9R1.69 C1=CC(=C(C=C1O)F)I F190218 [0,2,0,0,0,0|2,0,0]=4 2081 B9R1.69 C1=CC(=C(C=C1O)F)N A122547 [0,2,0,0,0,0|1,0,0]=3 2082 B9R1.69 C1=CC(=C(C=C1O)F)N F182266 [0,2,0,0,0,0|1,0,0]=3 2083 B9R1.69 C1=CC(=C(C=C1O)N)Br A178691 [0,2,0,0,0,0|1,0,0]=3 2084 B9R1.69 C1=CC(=C(C=C1O)N)Cl W132659 [0,2,0,0,0,0|1,0,0]=3 2085 B9R1.69 C1=CC(=C(C=C1O)N)F A137308 [0,2,0,0,0,0|1,0,0]=3 2086 B9R1.69 C1=CC(=C(C=C1O)O)Br B133544 [0,2,0,0,0,0|2,0,0]=4 2087 B9R1.69 C1=CC(=C(C=C1O)O)Cl C128535 [0,2,0,0,0,0|2,0,0]=4 2088 B9R1.69 C1=CC(=C(C=C1O)O)F F131375 [0,2,0,0,0,0|2,0,0]=4 2089 B9R1.69 C1=CC(=C(C=C1O)O)O B107437 [0,2,0,0,0,0|2,0,0]=4 2090 B9R1.69 C1=CC(=C(C=C1S)Cl)Cl D155420 [0,2,0,0,0,0|2,0,0]=4 2091 B9R1.69 C1=CC(=C(C=C1S)F)F D101763 [0,2,0,0,0,0|2,0,0]=4 2092 B9R1.69 C1=CC(=NC(=C1Br)Cl)N B192977 [0,2,0,0,0,0|2,0,0]=4 2093 B9R1.69 C1=CC(=NC(=C1Br)F)N B590812 [0,2,0,0,0,0|2,0,0]=4 2094 B9R1.69 C1=CC(=NC(=C1Cl)Br)N P171605 [0,2,0,0,0,0|2,0,0]=4 2095 B9R1.69 C1=CC(=NC(=C1F)N)F D491332 [0,2,0,0,0,0|2,0,0]=4 2096 B9R1.69 C1=CC(=NC(=C1I)Cl)N C180409 [0,2,0,0,0,0|2,0,0]=4 2097 B9R1.69 C1=CC(=NC(=C1I)F)N F578687 [0,2,0,0,0,0|2,0,0]=4 2098 B9R1.69 C1=CC(=NC(=C1N)Br)Br A121064 [0,2,0,0,0,0|2,0,0]=4 2099 B9R1.69 C1=CC(=NC(=C1N)Br)Br A638539 [0,2,0,0,0,0|2,0,0]=4 2100 B9R1.69 C1=CC(=NC(=C1N)Br)Cl A179021 [0,2,0,0,0,0|2,0,0]=4 2101 B9R1.69 C1=CC(=NC(=C1N)Br)F B189567 [0,2,0,0,0,0|2,0,0]=4 2102 B9R1.69 C1=CC(=NC(=C1N)Cl)Br W131925 [0,2,0,0,0,0|2,0,0]=4 2103 B9R1.69 C1=CC(=NC(=C1N)Cl)Cl A123903 [0,2,0,0,0,0|2,0,0]=4 2104 B9R1.69 C1=CC(=NC(=C1N)Cl)I C165545 [0,2,0,0,0,0|2,0,0]=4 2105 B9R1.69 C1=CC(=NC(=C1N)N)Br B181030 [0,2,0,0,0,0|2,0,0]=4 2106 B9R1.69 C1=CC(=NC(=C1N)N)Cl D138813 [0,2,0,0,0,0|2,0,0]=4 2107 B9R1.69 C1=CC(=O)C(=CC1=O)Cl C112976 [0,2,0,0,0,0|2,0,0]=4 2108 B9R1.69 C1=NC(=O)NC(=C1Br)N B132880 [0,2,0,0,0,0|1,0,0]=3 2109 B9R1.69 C1=NC(=O)NC(=C1F)N F123460 [0,2,0,0,0,0|1,0,0]=3 2110 B9R1.69 CC1=C(C=C(C=C1)Br)Br D123561 [0,2,0,0,0,0|2,0,0]=4 2111 B9R1.69 CC1=C(C=C(C=C1)Br)C B101675 [0,2,0,0,0,0|2,0,0]=4 2112 B9R1.69 CC1=C(C=C(C=C1)Br)C B101676 [0,2,0,0,0,0|2,0,0]=4 2113 B9R1.69 CC1=C(C=C(C=C1)Br)Cl B304851 [0,2,0,0,0,0|2,0,0]=4 2114 B9R1.69 CC1=C(C=C(C=C1)Br)F B120745 [0,2,0,0,0,0|2,0,0]=4 2115 B9R1.69 CC1=C(C=C(C=C1)Br)I B588468 [0,2,0,0,0,0|2,0,0]=4 2116 B9R1.69 CC1=C(C=C(C=C1)Br)N B122515 [0,2,0,0,0,0|1,0,0]=3 2117 B9R1.69 CC1=C(C=C(C=C1)Br)O B124288 [0,2,0,0,0,0|2,0,0]=4 2118 B9R1.69 CC1=C(C=C(C=C1)Cl)Br B405162 [0,2,0,0,0,0|2,0,0]=4 2119 B9R1.69 CC1=C(C=C(C=C1)Cl)C C113569 [0,2,0,0,0,0|2,0,0]=4 2120 B9R1.69 CC1=C(C=C(C=C1)Cl)Cl D104648 [0,2,0,0,0,0|2,0,0]=4 2121 B9R1.69 CC1=C(C=C(C=C1)Cl)Cl D104649 [0,2,0,0,0,0|2,0,0]=4 2122 B9R1.69 CC1=C(C=C(C=C1)Cl)F C120759 [0,2,0,0,0,0|2,0,0]=4 2123 B9R1.69 CC1=C(C=C(C=C1)Cl)I C588753 [0,2,0,0,0,0|2,0,0]=4 2124 B9R1.69 CC1=C(C=C(C=C1)Cl)N C106532 [0,2,0,0,0,0|1,0,0]=3 2125 B9R1.69 CC1=C(C=C(C=C1)Cl)N C153903 [0,2,0,0,0,0|1,0,0]=3 2126 B9R1.69 CC1=C(C=C(C=C1)Cl)O C135000 [0,2,0,0,0,0|2,0,0]=4 2127 B9R1.69 CC1=C(C=C(C=C1)F)Br B120722 [0,2,0,0,0,0|2,0,0]=4 2128 B9R1.69 CC1=C(C=C(C=C1)F)C F124479 [0,2,0,0,0,0|2,0,0]=4 2129 B9R1.69 CC1=C(C=C(C=C1)F)Cl C120753 [0,2,0,0,0,0|2,0,0]=4 2130 B9R1.69 CC1=C(C=C(C=C1)F)F D120697 [0,2,0,0,0,0|2,0,0]=4 2131 B9R1.69 CC1=C(C=C(C=C1)F)I F122782 [0,2,0,0,0,0|2,0,0]=4 2132 B9R1.69 CC1=C(C=C(C=C1)F)N F120718 [0,2,0,0,0,0|1,0,0]=3 2133 B9R1.69 CC1=C(C=C(C=C1)F)O F124289 [0,2,0,0,0,0|2,0,0]=4 2134 B9R1.69 CC1=C(C=C(C=C1)I)C D123657 [0,2,0,0,0,0|2,0,0]=4 2135 B9R1.69 CC1=C(C=C(C=C1)I)Cl C186838 [0,2,0,0,0,0|2,0,0]=4 2136 B9R1.69 CC1=C(C=C(C=C1)I)F F122778 [0,2,0,0,0,0|2,0,0]=4 2137 B9R1.69 CC1=C(C=C(C=C1)I)N I113818 [0,2,0,0,0,0|1,0,0]=3 2138 B9R1.69 CC1=C(C=C(C=C1)N)Br B122480 [0,2,0,0,0,0|1,0,0]=3 2139 B9R1.69 CC1=C(C=C(C=C1)N)C D113394 [0,2,0,0,0,0|1,0,0]=3 2140 B9R1.69 CC1=C(C=C(C=C1)N)Cl C106530 [0,2,0,0,0,0|1,0,0]=3 2141 B9R1.69 CC1=C(C=C(C=C1)N)Cl C106531 [0,2,0,0,0,0|1,0,0]=3 2142 B9R1.69 CC1=C(C=C(C=C1)N)F F122497 [0,2,0,0,0,0|1,0,0]=3 2143 B9R1.69 CC1=C(C=C(C=C1)N)I I157695 [0,2,0,0,0,0|1,0,0]=3 2144 B9R1.69 CC1=C(C=C(C=C1)N)N D103648 [0,2,0,0,0,0|1,0,0]=3 2145 B9R1.69 CC1=C(C=C(C=C1)N)N D103649 [0,2,0,0,0,0|1,0,0]=3 2146 B9R1.69 CC1=C(C=C(C=C1)N)N D103650 [0,2,0,0,0,0|1,0,0]=3 2147 B9R1.69 CC1=C(C=C(C=C1)N)N D141204 [0,2,0,0,0,0|1,0,0]=3 2148 B9R1.69 CC1=C(C=C(C=C1)N)O A115492 [0,2,0,0,0,0|1,0,0]=3 2149 B9R1.69 CC1=C(C=C(C=C1)O)Br B185524 [0,2,0,0,0,0|2,0,0]=4 2150 B9R1.69 CC1=C(C=C(C=C1)O)C D104347 [0,2,0,0,0,0|2,0,0]=4 2151 B9R1.69 CC1=C(C=C(C=C1)O)C D117389 [0,2,0,0,0,0|2,0,0]=4 2152 B9R1.69 CC1=C(C=C(C=C1)O)Cl W136428 [0,2,0,0,0,0|2,0,0]=4 2153 B9R1.69 CC1=C(C=C(C=C1)O)F F124276 [0,2,0,0,0,0|2,0,0]=4 2154 B9R1.69 CC1=C(C=C(C=C1)O)N A183421 [0,2,0,0,0,0|1,0,0]=3 2155 B9R1.69 CC1=C(C=C(C=N1)Br)N A139435 [0,2,0,0,0,0|2,0,0]=4 2156 B9R1.69 CC1=C(C=C(C=N1)N)Br B175304 [0,2,0,0,0,0|2,0,0]=4 2157 B9R1.69 CC1=C(C=CC(=C1)Br)Br D123558 [0,2,0,0,0,0|2,0,0]=4 2158 B9R1.69 CC1=C(C=CC(=C1)Br)Cl B100861 [0,2,0,0,0,0|2,0,0]=4 2159 B9R1.69 CC1=C(C=CC(=C1)Br)F B120752 [0,2,0,0,0,0|2,0,0]=4 2160 B9R1.69 CC1=C(C=CC(=C1)Br)I B138065 [0,2,0,0,0,0|2,0,0]=4 2161 B9R1.69 CC1=C(C=CC(=C1)Br)N B100843 [0,2,0,0,0,0|1,0,0]=3 2162 B9R1.69 CC1=C(C=CC(=C1)Br)O B122703 [0,2,0,0,0,0|2,0,0]=4 2163 B9R1.69 CC1=C(C=CC(=C1)Cl)Br B131978 [0,2,0,0,0,0|2,0,0]=4 2164 B9R1.69 CC1=C(C=CC(=C1)Cl)Cl D113532 [0,2,0,0,0,0|2,0,0]=4 2165 B9R1.69 CC1=C(C=CC(=C1)Cl)Cl D113533 [0,2,0,0,0,0|2,0,0]=4 2166 B9R1.69 CC1=C(C=CC(=C1)Cl)F C120762 [0,2,0,0,0,0|2,0,0]=4 2167 B9R1.69 CC1=C(C=CC(=C1)Cl)I C136132 [0,2,0,0,0,0|2,0,0]=4 2168 B9R1.69 CC1=C(C=CC(=C1)Cl)N C111298 [0,2,0,0,0,0|1,0,0]=3 2169 B9R1.69 CC1=C(C=CC(=C1)Cl)N C111299 [0,2,0,0,0,0|1,0,0]=3 2170 B9R1.69 CC1=C(C=CC(=C1)Cl)N C153905 [0,2,0,0,0,0|1,0,0]=3 2171 B9R1.69 CC1=C(C=CC(=C1)Cl)O C153523 [0,2,0,0,0,0|2,0,0]=4 2172 B9R1.69 CC1=C(C=CC(=C1)F)Br B120723 [0,2,0,0,0,0|2,0,0]=4 2173 B9R1.69 CC1=C(C=CC(=C1)F)Cl C133805 [0,2,0,0,0,0|2,0,0]=4 2174 B9R1.69 CC1=C(C=CC(=C1)F)F D120698 [0,2,0,0,0,0|2,0,0]=4 2175 B9R1.69 CC1=C(C=CC(=C1)F)I F185888 [0,2,0,0,0,0|2,0,0]=4 2176 B9R1.69 CC1=C(C=CC(=C1)F)N F120709 [0,2,0,0,0,0|1,0,0]=3 2177 B9R1.69 CC1=C(C=CC(=C1)F)O F120816 [0,2,0,0,0,0|2,0,0]=4 2178 B9R1.69 CC1=C(C=CC(=C1)I)Br B132710 [0,2,0,0,0,0|2,0,0]=4 2179 B9R1.69 CC1=C(C=CC(=C1)I)Cl C166182 [0,2,0,0,0,0|2,0,0]=4 2180 B9R1.69 CC1=C(C=CC(=C1)I)F F122779 [0,2,0,0,0,0|2,0,0]=4 2181 B9R1.69 CC1=C(C=CC(=C1)I)N I111882 [0,2,0,0,0,0|1,0,0]=3 2182 B9R1.69 CC1=C(C=CC(=C1)I)O I343177 [0,2,0,0,0,0|2,0,0]=4 2183 B9R1.69 CC1=C(C=CC(=C1)N)Br B134726 [0,2,0,0,0,0|1,0,0]=3 2184 B9R1.69 CC1=C(C=CC(=C1)N)Cl C133999 [0,2,0,0,0,0|1,0,0]=3 2185 B9R1.69 CC1=C(C=CC(=C1)N)F F120715 [0,2,0,0,0,0|1,0,0]=3 2186 B9R1.69 CC1=C(C=CC(=C1)N)I I590928 [0,2,0,0,0,0|1,0,0]=3 2187 B9R1.69 CC1=C(C=CC(=C1)N)N D121697 [0,2,0,0,0,0|1,0,0]=3 2188 B9R1.69 CC1=C(C=CC(=C1)N)N D154484 [0,2,0,0,0,0|1,0,0]=3 2189 B9R1.69 CC1=C(C=CC(=C1)O)Br B124282 [0,2,0,0,0,0|2,0,0]=4 2190 B9R1.69 CC1=C(C=CC(=C1)O)Cl C103588 [0,2,0,0,0,0|2,0,0]=4 2191 B9R1.69 CC1=C(C=CC(=C1)O)Cl C103589 [0,2,0,0,0,0|2,0,0]=4 2192 B9R1.69 CC1=C(C=CC(=C1)O)Cl C128189 [0,2,0,0,0,0|2,0,0]=4 2193 B9R1.69 CC1=C(C=CC(=C1)O)F F120819 [0,2,0,0,0,0|2,0,0]=4 2194 B9R1.69 CC1=C(C=CC(=C1)O)I I181231 [0,2,0,0,0,0|2,0,0]=4 2195 B9R1.69 CC1=C(C=CC(=C1)O)N A121773 [0,2,0,0,0,0|1,0,0]=3 2196 B9R1.69 CC1=C(C=CC(=C1)O)O M109541 [0,2,0,0,0,0|2,0,0]=4 2197 B9R1.69 CC1=C(C=CC(=N1)Br)N A151749 [0,2,0,0,0,0|2,0,0]=4 2198 B9R1.69 CC1=C(C=CC(=N1)Cl)N A137489 [0,2,0,0,0,0|2,0,0]=4 2199 B9R1.69 CC1=C(C=CC(=N1)N)Br A101193 [0,2,0,0,0,0|2,0,0]=4 2200 B9R1.69 CC1=C(C=CC(=N1)N)Cl W134135 [0,2,0,0,0,0|2,0,0]=4 2201 B9R1.69 CC1=C(C=CC(=N1)N)I I139241 [0,2,0,0,0,0|2,0,0]=4 2202 B9R1.69 CC1=C(C=C[N+](=C1)[O-])Cl C342199 [0,2,0,0,0,0|1,0,1]=4 2203 B9R1.69 CC1=C(N=C(C=C1)Br)N B178057 [0,2,0,0,0,0|2,0,0]=4 2204 B9R1.69 CC1=C(N=C(C=C1)N)Br B178058 [0,2,0,0,0,0|2,0,0]=4 2205 B9R1.69 CC1=C(N=C(C=C1)N)C A406933 [0,2,0,0,0,0|2,0,0]=4 2206 B9R1.69 CC1=C(N=C(C=C1)N)Cl C184559 [0,2,0,0,0,0|2,0,0]=4 2207 B9R1.69 CC1=C(NC(=O)N=C1)N M133493 [0,2,0,0,0,0|1,0,0]=3 2208 B9R1.69 CC1=C(NC(=O)N=C1)N M158547 [0,2,0,0,0,0|1,0,0]=3 2209 B9R1.69 CC1=CC(=C(C=C1)Br)Br D123553 [0,2,0,0,0,0|2,0,0]=4 2210 B9R1.69 CC1=CC(=C(C=C1)Br)C B101634 [0,2,0,0,0,0|2,0,0]=4 2211 B9R1.69 CC1=CC(=C(C=C1)Br)Cl B185889 [0,2,0,0,0,0|2,0,0]=4 2212 B9R1.69 CC1=CC(=C(C=C1)Br)F B120751 [0,2,0,0,0,0|2,0,0]=4 2213 B9R1.69 CC1=CC(=C(C=C1)Br)I B195363 [0,2,0,0,0,0|2,0,0]=4 2214 B9R1.69 CC1=CC(=C(C=C1)Br)N W136366 [0,2,0,0,0,0|1,0,0]=3 2215 B9R1.69 CC1=CC(=C(C=C1)Br)O D302938 [0,2,0,0,0,0|2,0,0]=4 2216 B9R1.69 CC1=CC(=C(C=C1)C)Br D107975 [0,2,0,0,0,0|2,0,0]=4 2217 B9R1.69 CC1=CC(=C(C=C1)C)C T110885 [0,2,0,0,0,0|2,0,0]=4 2218 B9R1.69 CC1=CC(=C(C=C1)C)C T110887 [0,2,0,0,0,0|2,0,0]=4 2219 B9R1.69 CC1=CC(=C(C=C1)C)C T110888 [0,2,0,0,0,0|2,0,0]=4 2220 B9R1.69 CC1=CC(=C(C=C1)C)C T128160 [0,2,0,0,0,0|2,0,0]=4 2221 B9R1.69 CC1=CC(=C(C=C1)C)Cl C122701 [0,2,0,0,0,0|2,0,0]=4 2222 B9R1.69 CC1=CC(=C(C=C1)C)F F186090 [0,2,0,0,0,0|2,0,0]=4 2223 B9R1.69 CC1=CC(=C(C=C1)C)N D106348 [0,2,0,0,0,0|1,0,0]=3 2224 B9R1.69 CC1=CC(=C(C=C1)C)O D104331 [0,2,0,0,0,0|2,0,0]=4 2225 B9R1.69 CC1=CC(=C(C=C1)C)O D104332 [0,2,0,0,0,0|2,0,0]=4 2226 B9R1.69 CC1=CC(=C(C=C1)C)O D117388 [0,2,0,0,0,0|2,0,0]=4 2227 B9R1.69 CC1=CC(=C(C=C1)C)S D101775 [0,2,0,0,0,0|2,0,0]=4 2228 B9R1.69 CC1=CC(=C(C=C1)Cl)Br B185302 [0,2,0,0,0,0|2,0,0]=4 2229 B9R1.69 CC1=CC(=C(C=C1)Cl)C C405487 [0,2,0,0,0,0|2,0,0]=4 2230 B9R1.69 CC1=CC(=C(C=C1)Cl)Cl D100626 [0,2,0,0,0,0|2,0,0]=4 2231 B9R1.69 CC1=CC(=C(C=C1)Cl)Cl D100627 [0,2,0,0,0,0|2,0,0]=4 2232 B9R1.69 CC1=CC(=C(C=C1)Cl)F C121012 [0,2,0,0,0,0|2,0,0]=4 2233 B9R1.69 CC1=CC(=C(C=C1)Cl)N C153907 [0,2,0,0,0,0|1,0,0]=3 2234 B9R1.69 CC1=CC(=C(C=C1)Cl)O C153524 [0,2,0,0,0,0|2,0,0]=4 2235 B9R1.69 CC1=CC(=C(C=C1)F)Br B120742 [0,2,0,0,0,0|2,0,0]=4 2236 B9R1.69 CC1=CC(=C(C=C1)F)Cl C181666 [0,2,0,0,0,0|2,0,0]=4 2237 B9R1.69 CC1=CC(=C(C=C1)F)F D120699 [0,2,0,0,0,0|2,0,0]=4 2238 B9R1.69 CC1=CC(=C(C=C1)F)I F122783 [0,2,0,0,0,0|2,0,0]=4 2239 B9R1.69 CC1=CC(=C(C=C1)F)N F113848 [0,2,0,0,0,0|1,0,0]=3 2240 B9R1.69 CC1=CC(=C(C=C1)F)O F124272 [0,2,0,0,0,0|2,0,0]=4 2241 B9R1.69 CC1=CC(=C(C=C1)I)Br B186225 [0,2,0,0,0,0|2,0,0]=4 2242 B9R1.69 CC1=CC(=C(C=C1)I)C I157574 [0,2,0,0,0,0|2,0,0]=4 2243 B9R1.69 CC1=CC(=C(C=C1)I)F W134166 [0,2,0,0,0,0|2,0,0]=4 2244 B9R1.69 CC1=CC(=C(C=C1)I)N I181158 [0,2,0,0,0,0|1,0,0]=3 2245 B9R1.69 CC1=CC(=C(C=C1)N)Br B139034 [0,2,0,0,0,0|1,0,0]=3 2246 B9R1.69 CC1=CC(=C(C=C1)N)C D105631 [0,2,0,0,0,0|1,0,0]=3 2247 B9R1.69 CC1=CC(=C(C=C1)N)C D105632 [0,2,0,0,0,0|1,0,0]=3 2248 B9R1.69 CC1=CC(=C(C=C1)N)C D154317 [0,2,0,0,0,0|1,0,0]=3 2249 B9R1.69 CC1=CC(=C(C=C1)N)Cl C133948 [0,2,0,0,0,0|1,0,0]=3 2250 B9R1.69 CC1=CC(=C(C=C1)N)F F120702 [0,2,0,0,0,0|1,0,0]=3 2251 B9R1.69 CC1=CC(=C(C=C1)N)I I183480 [0,2,0,0,0,0|1,0,0]=3 2252 B9R1.69 CC1=CC(=C(C=C1)N)N D106442 [0,2,0,0,0,0|1,0,0]=3 2253 B9R1.69 CC1=CC(=C(C=C1)N)N D106444 [0,2,0,0,0,0|1,0,0]=3 2254 B9R1.69 CC1=CC(=C(C=C1)N)O A121774 [0,2,0,0,0,0|1,0,0]=3 2255 B9R1.69 CC1=CC(=C(C=C1)O)Br B124659 [0,2,0,0,0,0|2,0,0]=4 2256 B9R1.69 CC1=CC(=C(C=C1)O)Br B141113 [0,2,0,0,0,0|2,0,0]=4 2257 B9R1.69 CC1=CC(=C(C=C1)O)C D112715 [0,2,0,0,0,0|2,0,0]=4 2258 B9R1.69 CC1=CC(=C(C=C1)O)C D117387 [0,2,0,0,0,0|2,0,0]=4 2259 B9R1.69 CC1=CC(=C(C=C1)O)C D472061 [0,2,0,0,0,0|2,0,0]=4 2260 B9R1.69 CC1=CC(=C(C=C1)O)Cl C134527 [0,2,0,0,0,0|2,0,0]=4 2261 B9R1.69 CC1=CC(=C(C=C1)O)F F133446 [0,2,0,0,0,0|2,0,0]=4 2262 B9R1.69 CC1=CC(=C(C=C1)O)I I305091 [0,2,0,0,0,0|2,0,0]=4 2263 B9R1.69 CC1=CC(=C(C=C1)O)N A107257 [0,2,0,0,0,0|1,0,0]=3 2264 B9R1.69 CC1=CC(=C(C=C1)O)O M108038 [0,2,0,0,0,0|2,0,0]=4 2265 B9R1.69 CC1=CC(=C(C=C1)S)C D101774 [0,2,0,0,0,0|2,0,0]=4 2266 B9R1.69 CC1=CC(=C(C=C1)S)S T113451 [0,2,0,0,0,0|2,0,0]=4 2267 B9R1.69 CC1=CC(=C(C=N1)Br)N A586241 [0,2,0,0,0,0|0,0,0]=2 2268 B9R1.69 CC1=CC(=C(C=N1)Cl)Br B586612 [0,2,0,0,0,0|1,0,0]=3 2269 B9R1.69 CC1=CC(=C(C=N1)O)Br B586814 [0,2,0,0,0,0|1,0,0]=3 2270 B9R1.69 CC1=CC(=C(N=C1)Br)N A183879 [0,2,0,0,0,0|2,0,0]=4 2271 B9R1.69 CC1=CC(=C(N=C1)Cl)N A151741 [0,2,0,0,0,0|2,0,0]=4 2272 B9R1.69 CC1=CC(=C(N=C1)N)Br A151670 [0,2,0,0,0,0|2,0,0]=4 2273 B9R1.69 CC1=CC(=C(N=C1)N)C D193349 [0,2,0,0,0,0|2,0,0]=4 2274 B9R1.69 CC1=CC(=C(N=C1)N)Cl A151674 [0,2,0,0,0,0|2,0,0]=4 2275 B9R1.69 CC1=CC(=C(N=C1)N)I I168541 [0,2,0,0,0,0|2,0,0]=4 2276 B9R1.69 CC1=CC(=CN=C1Br)N A151752 [0,2,0,0,0,0|2,0,0]=4 2277 B9R1.69 CC1=CC(=CN=C1C)N D589816 [0,2,0,0,0,0|2,0,0]=4 2278 B9R1.69 CC1=CC(=CN=C1Cl)N A137214 [0,2,0,0,0,0|2,0,0]=4 2279 B9R1.69 CC1=CC(=CN=C1F)N A480624 [0,2,0,0,0,0|2,0,0]=4 2280 B9R1.69 CC1=CC(=CN=C1N)Br A151675 [0,2,0,0,0,0|2,0,0]=4 2281 B9R1.69 CC1=CC(=CN=C1N)Cl A151671 [0,2,0,0,0,0|2,0,0]=4 2282 B9R1.69 CC1=CC(=CN=C1N)I I132791 [0,2,0,0,0,0|2,0,0]=4 2283 B9R1.69 CC1=CC(=NC=C1Br)Br W134623 [0,2,0,0,0,0|1,0,0]=3 2284 B9R1.69 CC1=CC(=NC=C1Br)Cl B124335 [0,2,0,0,0,0|1,0,0]=3 2285 B9R1.69 CC1=CC(=NC=C1Br)F B187245 [0,2,0,0,0,0|1,0,0]=3 2286 B9R1.69 CC1=CC(=NC=C1Br)N A124300 [0,2,0,0,0,0|1,0,0]=3 2287 B9R1.69 CC1=CC(=NC=C1Cl)N A151751 [0,2,0,0,0,0|1,0,0]=3 2288 B9R1.69 CC1=CC(=NC=C1I)N A151744 [0,2,0,0,0,0|1,0,0]=3 2289 B9R1.69 CC1=CC(=NC=C1N)Br B167565 [0,2,0,0,0,0|1,0,0]=3 2290 B9R1.69 CC1=CC(=NC=C1N)F A467479 [0,2,0,0,0,0|1,0,0]=3 2291 B9R1.69 CC1=CC(=NN=C1Br)Br D195637 [0,2,0,0,0,0|2,0,0]=4 2292 B9R1.69 CC1=CC(=NN=C1Cl)Cl W132940 [0,2,0,0,0,0|2,0,0]=4 2293 B9R1.69 CC1=CC(=NN=C1Cl)N C177105 [0,2,0,0,0,0|2,0,0]=4 2294 B9R1.69 CC1=CC(=NNC1=O)Cl C182276 [0,2,0,0,0,0|2,0,0]=4 2295 B9R1.69 CC1=CC(=O)C=CC1=O I135188 [0,2,0,0,0,0|2,0,0]=4 2296 B9R1.69 CC1=CC(=O)NC=C1Br B121807 [0,2,0,0,0,0|1,0,1]=4 2297 B9R1.69 CC1=CC(=[N+](C=C1)[O-])C D404346 [0,2,0,0,0,0|1,0,1]=4 2298 B9R1.69 CC1=CN=C(C=C1Br)F B586692 [0,2,0,0,0,0|1,0,0]=3 2299 B9R1.69 CC1=CN=C(C=C1Br)N B586207 [0,2,0,0,0,0|1,0,0]=3 2300 B9R1.69 CC1=CN=C(C=C1Cl)Cl D134689 [0,2,0,0,0,0|1,0,0]=3 2301 B9R1.69 CC1=CN=C(C=C1I)Cl C166361 [0,2,0,0,0,0|1,0,0]=3 2302 B9R1.69 CC1=CN=C(C=C1I)F F120740 [0,2,0,0,0,0|1,0,0]=3 2303 B9R1.69 CC1=CN=C(C=C1N)Br B590193 [0,2,0,0,0,0|0,0,0]=2 2304 B9R1.69 CC1=CN=C(N=C1Cl)C C479451 [0,2,0,0,0,0|2,0,0]=4 2305 B9R1.69 CC1=CN=C(N=C1Cl)Cl D115772 [0,2,0,0,0,0|2,0,0]=4 2306 B9R1.69 CC1=CN=C(N=C1Cl)N C175561 [0,2,0,0,0,0|2,0,0]=4 2307 B9R1.69 CC1=CN=C(NC1=O)N A478727 [0,2,0,0,0,0|2,0,0]=4 2308 B9R1.69 CC1=CNC(=O)C=C1N A196047 [0,2,0,0,0,0|0,0,1]=3 2309 B9R1.69 CC1=NC(=C(C=C1)Br)N A120782 [0,2,0,0,0,0|2,0,0]=4 2310 B9R1.69 CC1=NC(=C(C=C1)N)Br A180939 [0,2,0,0,0,0|2,0,0]=4 2311 B9R1.69 CC1=NC(=C(C=C1)N)C A121811 [0,2,0,0,0,0|2,0,0]=4 2312 B9R1.69 CC1=NC(=C(C=C1)N)Cl A588986 [0,2,0,0,0,0|2,0,0]=4 2313 B9R1.69 CC1=NC(=C(C=C1)O)N A191936 [0,2,0,0,0,0|2,0,0]=4 2314 B9R1.69 CC1=NC(=NC=C1Br)Cl B185701 [0,2,0,0,0,0|2,0,0]=4 2315 B9R1.69 CC1=NC(=NC=C1Br)N W132022 [0,2,0,0,0,0|2,0,0]=4 2316 B9R1.69 CC1=NC=C(C(=O)N1)Br B181969 [0,2,0,0,0,0|2,0,0]=4 2317 B9R1.69 CC1=NNC(=O)C(=C1)Br B196061 [0,2,0,0,0,0|2,0,0]=4 2318 B9R1.69 CN1C=CC(=CC1=O)Br B175731 [0,2,0,0,0,0|1,0,1]=4 2319 B9R1.69 Clc1ccc(Cl)c(Cl)c1 T117379 [0,2,0,0,0,0|2,0,0]=4 2320 B9R1.69 Clc1ccc(Cl)c(Cl)c1 T117380 [0,2,0,0,0,0|2,0,0]=4 2321 B9R1.69 Clc1ccc(Cl)c(Cl)c1 T128176 [0,2,0,0,0,0|2,0,0]=4 2322 B9R1.69 NC1=NC(=O)NC=C1F F408225 [0,2,0,0,0,0|1,0,1]=4 2323 B9R1.69 OC1=CC(=O)NC=C1Cl G408465 [0,2,0,0,0,0|1,0,1]=4 2324 B9R1.69 Oc1ccc(Cl)cc1Cl D104291 [0,2,0,0,0,0|2,0,0]=4 2325 B9R1.3 C1=C(C(=C(C=N1)Br)Br)Br T161584 [0,2,0,0,0,0|1,0,0]=3 2326 B9R1.3 C1=C(C(=C(C=N1)Br)Cl)Br D173573 [0,2,0,0,0,0|1,0,0]=3 2327 B9R1.3 C1=C(C(=C(C=N1)Br)Cl)N B195635 [0,2,0,0,0,0|1,0,0]=3 2328 B9R1.3 C1=C(C(=C(C=N1)Br)F)O B587739 [0,2,0,0,0,0|1,0,0]=3 2329 B9R1.3 C1=C(C(=C(C=N1)Br)N)Br A136486 [0,2,0,0,0,0|0,0,0]=2 2330 B9R1.3 C1=C(C(=C(C=N1)Br)N)Cl B191223 [0,2,0,0,0,0|0,0,0]=2 2331 B9R1.3 C1=C(C(=C(C=N1)Br)N)N B124709 [0,2,0,0,0,0|0,0,0]=2 2332 B9R1.3 C1=C(C(=C(C=N1)Cl)Cl)Cl T136243 [0,2,0,0,0,0|1,0,0]=3 2333 B9R1.3 C1=C(C(=C(C=N1)Cl)I)Cl D134122 [0,2,0,0,0,0|1,0,0]=3 2334 B9R1.3 C1=C(C(=C(C=N1)Cl)N)Cl A119935 [0,2,0,0,0,0|0,0,0]=2 2335 B9R1.3 C1=C(C(=C(C=N1)F)N)F D191222 [0,2,0,0,0,0|0,0,0]=2 2336 B9R1.3 C1=C(C(=C(N=N1)Cl)Cl)Cl T189016 [0,2,0,0,0,0|2,0,0]=4 2337 B9R1.3 C1=C(C(=C(N=N1)Cl)Cl)Cl T190860 [0,2,0,0,0,0|2,0,0]=4 2338 B9R1.3 C1=C(C(=O)C(=CN1)Br)Br D181437 [0,2,0,0,0,0|1,0,1]=4 2339 B9R1.3 C1=C(C(=O)C(=CN1)Br)N A165392 [0,2,0,0,0,0|1,0,1]=4 2340 B9R1.3 C1=C(C(=O)C(=CN1)Cl)Cl D119942 [0,2,0,0,0,0|1,0,1]=4 2341 B9R1.3 C1=CC(=C(C(=C1)Br)Br)Br T405024 [0,2,0,0,0,0|2,0,0]=4 2342 B9R1.3 C1=CC(=C(C(=C1)Br)Br)O D346206 [0,2,0,0,0,0|2,0,0]=4 2343 B9R1.3 C1=CC(=C(C(=C1)Br)Cl)Cl B120325 [0,2,0,0,0,0|2,0,0]=4 2344 B9R1.3 C1=CC(=C(C(=C1)Br)Cl)F B122628 [0,2,0,0,0,0|2,0,0]=4 2345 B9R1.3 C1=CC(=C(C(=C1)Br)Cl)N B589491 [0,2,0,0,0,0|1,0,0]=3 2346 B9R1.3 C1=CC(=C(C(=C1)Br)Cl)O B195395 [0,2,0,0,0,0|2,0,0]=4 2347 B9R1.3 C1=CC(=C(C(=C1)Br)F)Br D190917 [0,2,0,0,0,0|2,0,0]=4 2348 B9R1.3 C1=CC(=C(C(=C1)Br)F)Cl B138233 [0,2,0,0,0,0|2,0,0]=4 2349 B9R1.3 C1=CC(=C(C(=C1)Br)F)F B101583 [0,2,0,0,0,0|2,0,0]=4 2350 B9R1.3 C1=CC(=C(C(=C1)Br)F)N B185379 [0,2,0,0,0,0|1,0,0]=3 2351 B9R1.3 C1=CC(=C(C(=C1)Br)F)O B181777 [0,2,0,0,0,0|2,0,0]=4 2352 B9R1.3 C1=CC(=C(C(=C1)Br)I)Br D163022 [0,2,0,0,0,0|2,0,0]=4 2353 B9R1.3 C1=CC(=C(C(=C1)Br)I)Cl B405345 [0,2,0,0,0,0|2,0,0]=4 2354 B9R1.3 C1=CC(=C(C(=C1)Br)I)F B303743 [0,2,0,0,0,0|2,0,0]=4 2355 B9R1.3 C1=CC(=C(C(=C1)Br)I)N B587355 [0,2,0,0,0,0|1,0,0]=3 2356 B9R1.3 C1=CC(=C(C(=C1)Br)I)O B187151 [0,2,0,0,0,0|2,0,0]=4 2357 B9R1.3 C1=CC(=C(C(=C1)Br)N)Br D134505 [0,2,0,0,0,0|1,0,0]=3 2358 B9R1.3 C1=CC(=C(C(=C1)Br)N)Cl B589608 [0,2,0,0,0,0|1,0,0]=3 2359 B9R1.3 C1=CC(=C(C(=C1)Br)N)F B120576 [0,2,0,0,0,0|1,0,0]=3 2360 B9R1.3 C1=CC(=C(C(=C1)Br)N)N B181787 [0,2,0,0,0,0|1,0,0]=3 2361 B9R1.3 C1=CC(=C(C(=C1)Br)N)O A166175 [0,2,0,0,0,0|1,0,0]=3 2362 B9R1.3 C1=CC(=C(C(=C1)Br)O)Br D136206 [0,2,0,0,0,0|2,0,0]=4 2363 B9R1.3 C1=CC(=C(C(=C1)Br)O)Cl B191950 [0,2,0,0,0,0|2,0,0]=4 2364 B9R1.3 C1=CC(=C(C(=C1)Br)O)F B182616 [0,2,0,0,0,0|2,0,0]=4 2365 B9R1.3 C1=CC(=C(C(=C1)Br)O)N A183405 [0,2,0,0,0,0|1,0,0]=3 2366 B9R1.3 C1=CC(=C(C(=C1)Br)O)O B152693 [0,2,0,0,0,0|2,0,0]=4 2367 B9R1.3 C1=CC(=C(C(=C1)Cl)Br)Cl B120326 [0,2,0,0,0,0|2,0,0]=4 2368 B9R1.3 C1=CC(=C(C(=C1)Cl)Br)F B588667 [0,2,0,0,0,0|2,0,0]=4 2369 B9R1.3 C1=CC(=C(C(=C1)Cl)Br)N B188897 [0,2,0,0,0,0|1,0,0]=3 2370 B9R1.3 C1=CC(=C(C(=C1)Cl)Br)O B187152 [0,2,0,0,0,0|2,0,0]=4 2371 B9R1.3 C1=CC(=C(C(=C1)Cl)Cl)Cl T104654 [0,2,0,0,0,0|2,0,0]=4 2372 B9R1.3 C1=CC(=C(C(=C1)Cl)Cl)Cl T104657 [0,2,0,0,0,0|2,0,0]=4 2373 B9R1.3 C1=CC(=C(C(=C1)Cl)Cl)N D133941 [0,2,0,0,0,0|1,0,0]=3 2374 B9R1.3 C1=CC(=C(C(=C1)Cl)Cl)O D106516 [0,2,0,0,0,0|2,0,0]=4 2375 B9R1.3 C1=CC(=C(C(=C1)Cl)Cl)O D106517 [0,2,0,0,0,0|2,0,0]=4 2376 B9R1.3 C1=CC(=C(C(=C1)Cl)Cl)S D101768 [0,2,0,0,0,0|2,0,0]=4 2377 B9R1.3 C1=CC(=C(C(=C1)Cl)F)Cl D138170 [0,2,0,0,0,0|2,0,0]=4 2378 B9R1.3 C1=CC(=C(C(=C1)Cl)F)Cl D155249 [0,2,0,0,0,0|2,0,0]=4 2379 B9R1.3 C1=CC(=C(C(=C1)Cl)F)N C153578 [0,2,0,0,0,0|1,0,0]=3 2380 B9R1.3 C1=CC(=C(C(=C1)Cl)F)O C122586 [0,2,0,0,0,0|2,0,0]=4 2381 B9R1.3 C1=CC(=C(C(=C1)Cl)I)Cl D132692 [0,2,0,0,0,0|2,0,0]=4 2382 B9R1.3 C1=CC(=C(C(=C1)Cl)I)N C194678 [0,2,0,0,0,0|1,0,0]=3 2383 B9R1.3 C1=CC(=C(C(=C1)Cl)N)Cl D135650 [0,2,0,0,0,0|1,0,0]=3 2384 B9R1.3 C1=CC(=C(C(=C1)Cl)N)Cl D135651 [0,2,0,0,0,0|1,0,0]=3 2385 B9R1.3 C1=CC(=C(C(=C1)Cl)N)F C107984 [0,2,0,0,0,0|1,0,0]=3 2386 B9R1.3 C1=CC(=C(C(=C1)Cl)N)N D588158 [0,2,0,0,0,0|1,0,0]=3 2387 B9R1.3 C1=CC(=C(C(=C1)Cl)N)O A193993 [0,2,0,0,0,0|1,0,0]=3 2388 B9R1.3 C1=CC(=C(C(=C1)Cl)O)Cl D104319 [0,2,0,0,0,0|2,0,0]=4 2389 B9R1.3 C1=CC(=C(C(=C1)Cl)O)Cl D305427 [0,2,0,0,0,0|2,0,0]=4 2390 B9R1.3 C1=CC(=C(C(=C1)Cl)O)F C124477 [0,2,0,0,0,0|2,0,0]=4 2391 B9R1.3 C1=CC(=C(C(=C1)Cl)O)N A193106 [0,2,0,0,0,0|1,0,0]=3 2392 B9R1.3 C1=CC(=C(C(=C1)Cl)O)O C153516 [0,2,0,0,0,0|2,0,0]=4 2393 B9R1.3 C1=CC(=C(C(=C1)Cl)S)Cl D155422 [0,2,0,0,0,0|2,0,0]=4 2394 B9R1.3 C1=CC(=C(C(=C1)F)Br)F B120549 [0,2,0,0,0,0|2,0,0]=4 2395 B9R1.3 C1=CC(=C(C(=C1)F)Br)N B132605 [0,2,0,0,0,0|1,0,0]=3 2396 B9R1.3 C1=CC(=C(C(=C1)F)Br)O B184569 [0,2,0,0,0,0|2,0,0]=4 2397 B9R1.3 C1=CC(=C(C(=C1)F)Cl)F C120667 [0,2,0,0,0,0|2,0,0]=4 2398 B9R1.3 C1=CC(=C(C(=C1)F)Cl)N C182770 [0,2,0,0,0,0|1,0,0]=3 2399 B9R1.3 C1=CC(=C(C(=C1)F)Cl)O C177721 [0,2,0,0,0,0|2,0,0]=4 2400 B9R1.3 C1=CC(=C(C(=C1)F)F)F T161890 [0,2,0,0,0,0|2,0,0]=4 2401 B9R1.3 C1=CC(=C(C(=C1)F)F)N D120643 [0,2,0,0,0,0|1,0,0]=3 2402 B9R1.3 C1=CC(=C(C(=C1)F)F)O D123506 [0,2,0,0,0,0|2,0,0]=4 2403 B9R1.3 C1=CC(=C(C(=C1)F)I)F D155241 [0,2,0,0,0,0|2,0,0]=4 2404 B9R1.3 C1=CC(=C(C(=C1)F)N)F D109435 [0,2,0,0,0,0|1,0,0]=3 2405 B9R1.3 C1=CC(=C(C(=C1)F)O)F D120668 [0,2,0,0,0,0|2,0,0]=4 2406 B9R1.3 C1=CC(=C(C(=C1)F)O)N F185090 [0,2,0,0,0,0|1,0,0]=3 2407 B9R1.3 C1=CC(=C(C(=C1)F)O)O F122610 [0,2,0,0,0,0|2,0,0]=4 2408 B9R1.3 C1=CC(=C(C(=C1)I)Cl)Br B589515 [0,2,0,0,0,0|2,0,0]=4 2409 B9R1.3 C1=CC(=C(C(=C1)I)Cl)Cl D102431 [0,2,0,0,0,0|2,0,0]=4 2410 B9R1.3 C1=CC(=C(C(=C1)I)F)Cl W134421 [0,2,0,0,0,0|2,0,0]=4 2411 B9R1.3 C1=CC(=C(C(=C1)I)F)F D589774 [0,2,0,0,0,0|2,0,0]=4 2412 B9R1.3 C1=CC(=C(C(=C1)I)O)Cl C588553 [0,2,0,0,0,0|2,0,0]=4 2413 B9R1.3 C1=CC(=C(C(=C1)O)Br)N A171600 [0,2,0,0,0,0|1,0,0]=3 2414 B9R1.3 C1=CC(=C(C(=C1)O)Br)O B139168 [0,2,0,0,0,0|2,0,0]=4 2415 B9R1.3 C1=CC(=C(C(=C1)O)Cl)O C171213 [0,2,0,0,0,0|2,0,0]=4 2416 B9R1.3 C1=CC(=C(C(=C1)O)I)O I157530 [0,2,0,0,0,0|2,0,0]=4 2417 B9R1.3 C1=CC(=C(C(=C1)O)N)N D171126 [0,2,0,0,0,0|1,0,0]=3 2418 B9R1.3 C1=CC(=C(C(=C1)O)N)O A192687 [0,2,0,0,0,0|1,0,0]=3 2419 B9R1.3 C1=CC(=C(C(=C1)O)O)O P104234 [0,2,0,0,0,0|2,0,0]=4 2420 B9R1.3 C1=CC(=C(C(=C1)O)O)O P104235 [0,2,0,0,0,0|2,0,0]=4 2421 B9R1.3 C1=CC(=C(C(=C1)O)O)O P426622 [0,2,0,0,0,0|2,0,0]=4 2422 B9R1.3 C1=CN=C(C(=C1Br)I)Cl B188240 [0,2,0,0,0,0|1,0,0]=3 2423 B9R1.3 C1=CN=C(C(=C1Br)N)Cl B587055 [0,2,0,0,0,0|1,0,0]=3 2424 B9R1.3 C1=CN=C(C(=C1Br)N)N B172769 [0,2,0,0,0,0|1,0,0]=3 2425 B9R1.3 C1=CN=C(C(=C1Cl)I)Cl D135088 [0,2,0,0,0,0|1,0,0]=3 2426 B9R1.3 C1=CN=C(C(=C1Cl)I)N C193340 [0,2,0,0,0,0|1,0,0]=3 2427 B9R1.3 C1=CN=C(C(=C1Cl)N)Cl A182093 [0,2,0,0,0,0|1,0,0]=3 2428 B9R1.3 C1=CN=C(C(=C1I)Cl)Cl D139398 [0,2,0,0,0,0|1,0,0]=3 2429 B9R1.3 C1=CN=C(C(=C1I)Cl)N C586448 [0,2,0,0,0,0|1,0,0]=3 2430 B9R1.3 C1=CN=C(C(=C1I)F)Cl C191032 [0,2,0,0,0,0|1,0,0]=3 2431 B9R1.3 C1=CN=C(C(=C1I)I)Cl C167501 [0,2,0,0,0,0|1,0,0]=3 2432 B9R1.3 C1=CN=C(C(=C1N)Br)Cl A120783 [0,2,0,0,0,0|0,0,0]=2 2433 B9R1.3 C1=CN=C(C(=C1N)I)Cl C195767 [0,2,0,0,0,0|0,0,0]=2 2434 B9R1.3 C1=CN=C(C(=C1N)N)Cl W134145 [0,2,0,0,0,0|0,0,0]=2 2435 B9R1.3 C1=NC(=C(C(=N1)Cl)Cl)Cl T133050 [0,2,0,0,0,0|2,0,0]=4 2436 B9R1.3 C1=NC(=C(C(=N1)Cl)Cl)N D183589 [0,2,0,0,0,0|1,0,0]=3 2437 B9R1.3 C1=NC(=C(C(=N1)Cl)F)Cl D137107 [0,2,0,0,0,0|2,0,0]=4 2438 B9R1.3 C1=NC(=C(C(=N1)Cl)I)N C588843 [0,2,0,0,0,0|1,0,0]=3 2439 B9R1.3 C1=NC(=C(C(=N1)Cl)N)Cl A113927 [0,2,0,0,0,0|2,0,0]=4 2440 B9R1.3 C1=NC(=C(C(=N1)Cl)N)N C136615 [0,2,0,0,0,0|1,0,0]=3 2441 B9R1.3 C1=NC(=C(C(=N1)Cl)O)Cl D589097 [0,2,0,0,0,0|2,0,0]=4 2442 B9R1.3 C1=NC(=C(C(=N1)F)Br)F B335681 [0,2,0,0,0,0|2,0,0]=4 2443 B9R1.3 C1=NC(=C(C(=O)N1)Br)O B294075 [0,2,0,0,0,0|2,0,0]=4 2444 B9R1.3 C1=NC(=C(C(=O)N1)Cl)Cl D590572 [0,2,0,0,0,0|2,0,0]=4 2445 B9R1.3 C1=NC(=C(C(=O)N1)N)N D155141 [0,2,0,0,0,0|1,0,1]=4 2446 B9R1.3 C1=NNC(=O)C(=C1Br)Br D122397 [0,2,0,0,0,0|2,0,0]=4 2447 B9R1.3 C1=NNC(=O)C(=C1Cl)Cl D122398 [0,2,0,0,0,0|2,0,0]=4 2448 B9R1.3 C1=NNC(=O)C(=C1N)Cl A194323 [0,2,0,0,0,0|1,0,1]=4 2449 B9R1.3 CC1=C(C(=CC=C1)Br)C B101911 [0,2,0,0,0,0|2,0,0]=4 2450 B9R1.3 CC1=C(C(=CC=C1)Br)Cl B188911 [0,2,0,0,0,0|2,0,0]=4 2451 B9R1.3 CC1=C(C(=CC=C1)Br)F B120733 [0,2,0,0,0,0|2,0,0]=4 2452 B9R1.3 CC1=C(C(=CC=C1)Br)I B195439 [0,2,0,0,0,0|2,0,0]=4 2453 B9R1.3 CC1=C(C(=CC=C1)Br)N B589399 [0,2,0,0,0,0|1,0,0]=3 2454 B9R1.3 CC1=C(C(=CC=C1)Br)O B152683 [0,2,0,0,0,0|2,0,0]=4 2455 B9R1.3 CC1=C(C(=CC=C1)C)Br B104490 [0,2,0,0,0,0|2,0,0]=4 2456 B9R1.3 CC1=C(C(=CC=C1)C)C T109305 [0,2,0,0,0,0|2,0,0]=4 2457 B9R1.3 CC1=C(C(=CC=C1)C)C T109306 [0,2,0,0,0,0|2,0,0]=4 2458 B9R1.3 CC1=C(C(=CC=C1)C)Cl C123661 [0,2,0,0,0,0|2,0,0]=4 2459 B9R1.3 CC1=C(C(=CC=C1)C)F F122688 [0,2,0,0,0,0|2,0,0]=4 2460 B9R1.3 CC1=C(C(=CC=C1)C)I I100573 [0,2,0,0,0,0|2,0,0]=4 2461 B9R1.3 CC1=C(C(=CC=C1)C)N D105633 [0,2,0,0,0,0|1,0,0]=3 2462 B9R1.3 CC1=C(C(=CC=C1)C)N D105634 [0,2,0,0,0,0|1,0,0]=3 2463 B9R1.3 CC1=C(C(=CC=C1)C)N D154322 [0,2,0,0,0,0|1,0,0]=3 2464 B9R1.3 CC1=C(C(=CC=C1)C)O D104339 [0,2,0,0,0,0|2,0,0]=4 2465 B9R1.3 CC1=C(C(=CC=C1)C)O D104340 [0,2,0,0,0,0|2,0,0]=4 2466 B9R1.3 CC1=C(C(=CC=C1)C)O D104341 [0,2,0,0,0,0|2,0,0]=4 2467 B9R1.3 CC1=C(C(=CC=C1)C)S D103093 [0,2,0,0,0,0|2,0,0]=4 2468 B9R1.3 CC1=C(C(=CC=C1)Cl)Br B186055 [0,2,0,0,0,0|2,0,0]=4 2469 B9R1.3 CC1=C(C(=CC=C1)Cl)C C123664 [0,2,0,0,0,0|2,0,0]=4 2470 B9R1.3 CC1=C(C(=CC=C1)Cl)Cl D113530 [0,2,0,0,0,0|2,0,0]=4 2471 B9R1.3 CC1=C(C(=CC=C1)Cl)Cl D113531 [0,2,0,0,0,0|2,0,0]=4 2472 B9R1.3 CC1=C(C(=CC=C1)Cl)I C405512 [0,2,0,0,0,0|2,0,0]=4 2473 B9R1.3 CC1=C(C(=CC=C1)Cl)N C136919 [0,2,0,0,0,0|1,0,0]=3 2474 B9R1.3 CC1=C(C(=CC=C1)Cl)O C134880 [0,2,0,0,0,0|2,0,0]=4 2475 B9R1.3 CC1=C(C(=CC=C1)F)Br B123575 [0,2,0,0,0,0|2,0,0]=4 2476 B9R1.3 CC1=C(C(=CC=C1)F)C F122684 [0,2,0,0,0,0|2,0,0]=4 2477 B9R1.3 CC1=C(C(=CC=C1)F)F D120695 [0,2,0,0,0,0|2,0,0]=4 2478 B9R1.3 CC1=C(C(=CC=C1)F)N F120703 [0,2,0,0,0,0|1,0,0]=3 2479 B9R1.3 CC1=C(C(=CC=C1)I)C I123659 [0,2,0,0,0,0|2,0,0]=4 2480 B9R1.3 CC1=C(C(=CC=C1)N)Br B124234 [0,2,0,0,0,0|1,0,0]=3 2481 B9R1.3 CC1=C(C(=CC=C1)N)C D107663 [0,2,0,0,0,0|1,0,0]=3 2482 B9R1.3 CC1=C(C(=CC=C1)N)C D154700 [0,2,0,0,0,0|1,0,0]=3 2483 B9R1.3 CC1=C(C(=CC=C1)N)Cl C588592 [0,2,0,0,0,0|1,0,0]=3 2484 B9R1.3 CC1=C(C(=CC=C1)N)F F120700 [0,2,0,0,0,0|1,0,0]=3 2485 B9R1.3 CC1=C(C(=CC=C1)N)I I590627 [0,2,0,0,0,0|1,0,0]=3 2486 B9R1.3 CC1=C(C(=CC=C1)N)N D122777 [0,2,0,0,0,0|1,0,0]=3 2487 B9R1.3 CC1=C(C(=CC=C1)N)O A121702 [0,2,0,0,0,0|1,0,0]=3 2488 B9R1.3 CC1=C(C(=CC=C1)O)Br B182885 [0,2,0,0,0,0|2,0,0]=4 2489 B9R1.3 CC1=C(C(=CC=C1)O)C D104325 [0,2,0,0,0,0|2,0,0]=4 2490 B9R1.3 CC1=C(C(=CC=C1)O)C D104326 [0,2,0,0,0,0|2,0,0]=4 2491 B9R1.3 CC1=C(C(=CC=C1)O)C D117386 [0,2,0,0,0,0|2,0,0]=4 2492 B9R1.3 CC1=C(C(=CC=C1)O)F F358560 [0,2,0,0,0,0|2,0,0]=4 2493 B9R1.3 CC1=C(C(=CC=C1)O)N A151257 [0,2,0,0,0,0|1,0,0]=3 2494 B9R1.3 CC1=C(C(=CC=C1)O)O M124478 [0,2,0,0,0,0|2,0,0]=4 2495 B9R1.3 CC1=C(C(=NC=C1)Br)F B187641 [0,2,0,0,0,0|1,0,0]=3 2496 B9R1.3 CC1=C(C(=NC=C1)Br)N A180938 [0,2,0,0,0,0|1,0,0]=3 2497 B9R1.3 CC1=C(C(=NC=C1)Cl)N A101604 [0,2,0,0,0,0|1,0,0]=3 2498 B9R1.3 CC1=C(C(=NC=C1)F)N F191537 [0,2,0,0,0,0|1,0,0]=3 2499 B9R1.3 CC1=C(C(=NC=N1)Cl)F C195685 [0,2,0,0,0,0|2,0,0]=4 2500 B9R1.3 CC1=C(C(=O)C=CO1)O M107518 [0,2,0,0,0,0|2,0,0]=4 2501 B9R1.3 CC1=C(C(=O)C=CO1)O M420823 [0,2,0,0,0,0|2,0,0]=4 2502 B9R1.3 CC1=C(C(=O)C=CO1)[O-] B341886 [0,2,0,0,0,0|2,0,0]=4 2503 B9R1.3 CC1=C(C(=O)NC=C1)Br B168094 [0,2,0,0,0,0|1,0,1]=4 2504 B9R1.3 CC1=C(C=CC=C1Br)Cl B136437 [0,2,0,0,0,0|2,0,0]=4 2505 B9R1.3 CC1=C(C=CC=C1Br)F B120724 [0,2,0,0,0,0|2,0,0]=4 2506 B9R1.3 CC1=C(C=CC=C1Br)N B113778 [0,2,0,0,0,0|1,0,0]=3 2507 B9R1.3 CC1=C(C=CC=C1Br)O B186587 [0,2,0,0,0,0|2,0,0]=4 2508 B9R1.3 CC1=C(C=CC=C1Cl)Cl D112665 [0,2,0,0,0,0|2,0,0]=4 2509 B9R1.3 CC1=C(C=CC=C1Cl)F C120756 [0,2,0,0,0,0|2,0,0]=4 2510 B9R1.3 CC1=C(C=CC=C1Cl)N C107650 [0,2,0,0,0,0|1,0,0]=3 2511 B9R1.3 CC1=C(C=CC=C1Cl)O C192741 [0,2,0,0,0,0|2,0,0]=4 2512 B9R1.3 CC1=C(C=CC=C1F)F D121015 [0,2,0,0,0,0|2,0,0]=4 2513 B9R1.3 CC1=C(C=CC=C1F)N F120704 [0,2,0,0,0,0|1,0,0]=3 2514 B9R1.3 CC1=C(C=CC=C1F)O F589138 [0,2,0,0,0,0|2,0,0]=4 2515 B9R1.3 CC1=C(C=CC=C1I)Cl C113587 [0,2,0,0,0,0|2,0,0]=4 2516 B9R1.3 CC1=C(C=CC=C1I)F F122780 [0,2,0,0,0,0|2,0,0]=4 2517 B9R1.3 CC1=C(C=CC=C1N)N D103021 [0,2,0,0,0,0|1,0,0]=3 2518 B9R1.3 CC1=C(C=CC=C1O)N A151256 [0,2,0,0,0,0|1,0,0]=3 2519 B9R1.3 CC1=C(C=CC=C1O)O M133940 [0,2,0,0,0,0|2,0,0]=4 2520 B9R1.3 CC1=C(C=CC=C1O)O M135030 [0,2,0,0,0,0|2,0,0]=4 2521 B9R1.3 CC1=C(C=CN=C1Cl)F C586689 [0,2,0,0,0,0|1,0,0]=3 2522 B9R1.3 CC1=C(C=CN=C1Cl)I C120730 [0,2,0,0,0,0|1,0,0]=3 2523 B9R1.3 CC1=C(C=CN=C1Cl)N C590194 [0,2,0,0,0,0|0,0,0]=2 2524 B9R1.3 CC1=C(C=CN=C1F)Br B173203 [0,2,0,0,0,0|1,0,0]=3 2525 B9R1.3 CC1=C(C=CN=C1F)I F181696 [0,2,0,0,0,0|1,0,0]=3 2526 B9R1.3 CC1=C(C=NC=C1Br)Br D124729 [0,2,0,0,0,0|1,0,0]=3 2527 B9R1.3 CC1=C(C=NC=C1Cl)Br B586827 [0,2,0,0,0,0|1,0,0]=3 2528 B9R1.3 CC1=C(N=CN=C1Cl)Cl D119254 [0,2,0,0,0,0|2,0,0]=4 2529 B9R1.3 CC1=C(N=CNC1=O)Cl C132296 [0,2,0,0,0,0|2,0,0]=4 2530 B9R1.3 CC1=C(N=CNC1=O)O D119142 [0,2,0,0,0,0|2,0,0]=4 2531 B9R1.3 CC1=NC=CC(=C1F)Br B586620 [0,2,0,0,0,0|1,0,0]=3 2532 B9R1.3 CN1C=CC=C(C1=O)N A588770 [0,2,0,0,0,0|2,0,0]=4 2533 B9R1.34 C1(=NC(=NC(=N1)Cl)N)N C106499 [0,2,0,0,0,0|2,0,0]=4 2534 B9R1.34 C1(=NC(=NC(=N1)Cl)N)N C106500 [0,2,0,0,0,0|2,0,0]=4 2535 B9R1.34 C1(=NC(=NC(=N1)Cl)N)N D346338 [0,2,0,0,0,0|2,0,0]=4 2536 B9R1.34 C1(=NC(=NC(=N1)N)N)N M108433 [0,2,0,0,0,0|2,0,0]=4 2537 B9R1.34 C1(=NC(=NC(=N1)N)N)N M108434 [0,2,0,0,0,0|2,0,0]=4 2538 B9R1.34 C1(=NC(=NC(=N1)N)N)N M191925 [0,2,0,0,0,0|2,0,0]=4 2539 B9R1.34 C1(=NC(=NC(=N1)N)N)N M302999 [0,2,0,0,0,0|2,0,0]=4 2540 B9R1.34 C1(=NC(=NC(=N1)N)N)N M303597 [0,2,0,0,0,0|2,0,0]=4 2541 B9R1.34 C1(=NC(=NC(=N1)N)N)N M420556 [0,2,0,0,0,0|2,0,0]=4 2542 B9R1.34 C1(=NC(=NC(=N1)N)N)N T431382 [0,2,0,0,0,0|2,0,0]=4 2543 B9R1.34 C1(=NC(=NC(=O)N1)N)N A151174 [0,2,0,0,0,0|2,0,0]=4 2544 B9R1.34 C1=C(C=C(C=C1Br)Br)Br T104699 [0,2,0,0,0,0|2,0,0]=4 2545 B9R1.34 C1=C(C=C(C=C1Br)Br)Cl C122662 [0,2,0,0,0,0|2,0,0]=4 2546 B9R1.34 C1=C(C=C(C=C1Br)Br)F D122725 [0,2,0,0,0,0|2,0,0]=4 2547 B9R1.34 C1=C(C=C(C=C1Br)Br)N D154506 [0,2,0,0,0,0|1,0,0]=3 2548 B9R1.34 C1=C(C=C(C=C1Br)Br)O D139101 [0,2,0,0,0,0|2,0,0]=4 2549 B9R1.34 C1=C(C=C(C=C1Br)I)Br D191874 [0,2,0,0,0,0|2,0,0]=4 2550 B9R1.34 C1=C(C=C(C=C1Br)I)Cl B181089 [0,2,0,0,0,0|2,0,0]=4 2551 B9R1.34 C1=C(C=C(C=C1Cl)Br)Cl B115093 [0,2,0,0,0,0|2,0,0]=4 2552 B9R1.34 C1=C(C=C(C=C1Cl)Br)F B122631 [0,2,0,0,0,0|2,0,0]=4 2553 B9R1.34 C1=C(C=C(C=C1Cl)Br)N B188898 [0,2,0,0,0,0|1,0,0]=3 2554 B9R1.34 C1=C(C=C(C=C1Cl)Cl)Cl T104660 [0,2,0,0,0,0|2,0,0]=4 2555 B9R1.34 C1=C(C=C(C=C1Cl)Cl)F D120641 [0,2,0,0,0,0|2,0,0]=4 2556 B9R1.34 C1=C(C=C(C=C1Cl)Cl)N D154511 [0,2,0,0,0,0|1,0,0]=3 2557 B9R1.34 C1=C(C=C(C=C1Cl)Cl)O D106522 [0,2,0,0,0,0|2,0,0]=4 2558 B9R1.34 C1=C(C=C(C=C1Cl)Cl)O D106523 [0,2,0,0,0,0|2,0,0]=4 2559 B9R1.34 C1=C(C=C(C=C1Cl)Cl)S D101771 [0,2,0,0,0,0|2,0,0]=4 2560 B9R1.34 C1=C(C=C(C=C1Cl)I)Cl D103591 [0,2,0,0,0,0|2,0,0]=4 2561 B9R1.34 C1=C(C=C(C=C1F)Br)F B123501 [0,2,0,0,0,0|2,0,0]=4 2562 B9R1.34 C1=C(C=C(C=C1F)Br)N B132631 [0,2,0,0,0,0|1,0,0]=3 2563 B9R1.34 C1=C(C=C(C=C1F)Br)O B120799 [0,2,0,0,0,0|2,0,0]=4 2564 B9R1.34 C1=C(C=C(C=C1F)Cl)F C122647 [0,2,0,0,0,0|2,0,0]=4 2565 B9R1.34 C1=C(C=C(C=C1F)Cl)N C122486 [0,2,0,0,0,0|1,0,0]=3 2566 B9R1.34 C1=C(C=C(C=C1F)Cl)O C588005 [0,2,0,0,0,0|2,0,0]=4 2567 B9R1.34 C1=C(C=C(C=C1F)F)F T161824 [0,2,0,0,0,0|2,0,0]=4 2568 B9R1.34 C1=C(C=C(C=C1F)F)N D123407 [0,2,0,0,0,0|1,0,0]=3 2569 B9R1.34 C1=C(C=C(C=C1F)F)O D122596 [0,2,0,0,0,0|2,0,0]=4 2570 B9R1.34 C1=C(C=C(C=C1F)I)F D121032 [0,2,0,0,0,0|2,0,0]=4 2571 B9R1.34 C1=C(C=C(C=C1F)I)N F122494 [0,2,0,0,0,0|1,0,0]=3 2572 B9R1.34 C1=C(C=C(C=C1F)S)F D590898 [0,2,0,0,0,0|2,0,0]=4 2573 B9R1.34 C1=C(C=C(C=C1I)I)Br B405189 [0,2,0,0,0,0|2,0,0]=4 2574 B9R1.34 C1=C(C=C(C=C1I)I)I T194268 [0,2,0,0,0,0|2,0,0]=4 2575 B9R1.34 C1=C(C=C(C=C1N)N)N B302177 [0,2,0,0,0,0|1,0,0]=3 2576 B9R1.34 C1=C(C=C(C=C1O)Br)O B152694 [0,2,0,0,0,0|2,0,0]=4 2577 B9R1.34 C1=C(C=C(C=C1O)Cl)N A195521 [0,2,0,0,0,0|1,0,0]=3 2578 B9R1.34 C1=C(C=C(C=C1O)F)O F156742 [0,2,0,0,0,0|2,0,0]=4 2579 B9R1.34 C1=C(C=C(C=C1O)O)N A304217 [0,2,0,0,0,0|1,0,0]=3 2580 B9R1.34 C1=C(C=C(C=C1O)O)O P104096 [0,2,0,0,0,0|2,0,0]=4 2581 B9R1.34 C1=C(C=C(C=C1O)O)O P104098 [0,2,0,0,0,0|2,0,0]=4 2582 B9R1.34 C1=C(C=C(C=C1O)O)O P105611 [0,2,0,0,0,0|2,0,0]=4 2583 B9R1.34 C1=C(C=C(N=C1Br)Br)Br T161586 [0,2,0,0,0,0|1,0,0]=3 2584 B9R1.34 C1=C(C=C(N=C1Cl)Cl)Br B188926 [0,2,0,0,0,0|1,0,0]=3 2585 B9R1.34 C1=C(C=C(N=C1Cl)Cl)Cl T587485 [0,2,0,0,0,0|1,0,0]=3 2586 B9R1.34 C1=C(C=C(N=C1Cl)Cl)I D124050 [0,2,0,0,0,0|1,0,0]=3 2587 B9R1.34 C1=C(C=C(N=C1Cl)Cl)N A113924 [0,2,0,0,0,0|0,0,0]=2 2588 B9R1.34 C1=C(C=C(N=C1F)F)F T176222 [0,2,0,0,0,0|1,0,0]=3 2589 B9R1.34 C1=C(C=C(N=C1F)F)I D589878 [0,2,0,0,0,0|1,0,0]=3 2590 B9R1.34 C1=C(C=C(N=C1N)Cl)Cl A179785 [0,2,0,0,0,0|1,0,0]=3 2591 B9R1.34 C1=C(N=C(N=C1Br)Br)Br T169947 [0,2,0,0,0,0|2,0,0]=4 2592 B9R1.34 C1=C(N=C(N=C1Cl)Cl)Cl T102746 [0,2,0,0,0,0|2,0,0]=4 2593 B9R1.34 C1=C(N=C(N=C1Cl)Cl)N A151268 [0,2,0,0,0,0|1,0,0]=3 2594 B9R1.34 C1=C(N=C(N=C1Cl)N)Cl A113926 [0,2,0,0,0,0|2,0,0]=4 2595 B9R1.34 C1=C(N=C(N=C1Cl)N)N D108045 [0,2,0,0,0,0|1,0,0]=3 2596 B9R1.34 C1=C(N=C(N=C1N)N)N T123280 [0,2,0,0,0,0|1,0,0]=3 2597 B9R1.34 C1=C(N=C(NC1=O)N)Cl A151266 [0,2,0,0,0,0|2,0,0]=4 2598 B9R1.34 C1=C(N=C(NC1=O)N)N D155148 [0,2,0,0,0,0|1,0,1]=4 2599 B9R1.34 C1=C(N=C(NC1=O)N)N D189290 [0,2,0,0,0,0|1,0,1]=4 2600 B9R1.34 C1=C(N=C(NC1=O)N)O A123505 [0,2,0,0,0,0|2,0,0]=4 2601 B9R1.34 C1=C(NC(=CC1=O)Br)Br D588190 [0,2,0,0,0,0|1,0,1]=4 2602 B9R1.34 C1=C(NC(=CC1=O)Cl)Cl D182061 [0,2,0,0,0,0|1,0,1]=4 2603 B9R1.34 C1=C(NC(=O)NC1=O)N A107382 [0,2,0,0,0,0|1,0,1]=4 2604 B9R1.34 C1=C(NC(=S)N=C1N)N D155134 [0,2,0,0,0,0|1,0,0]=3 2605 B9R1.34 C1=C(NC(=S)NC1=O)N A151319 [0,2,0,0,0,0|1,0,1]=4 2606 B9R1.34 C1=C(NC(=S)NC1=O)N A189279 [0,2,0,0,0,0|1,0,1]=4 2607 B9R1.34 CC1=CC(=CC(=C1)Br)Br D123551 [0,2,0,0,0,0|2,0,0]=4 2608 B9R1.34 CC1=CC(=CC(=C1)Br)C B106980 [0,2,0,0,0,0|2,0,0]=4 2609 B9R1.34 CC1=CC(=CC(=C1)Br)F B123571 [0,2,0,0,0,0|2,0,0]=4 2610 B9R1.34 CC1=CC(=CC(=C1)Br)N B137355 [0,2,0,0,0,0|1,0,0]=3 2611 B9R1.34 CC1=CC(=CC(=C1)Br)O B186360 [0,2,0,0,0,0|2,0,0]=4 2612 B9R1.34 CC1=CC(=CC(=C1)C)C D124686 [0,2,0,0,0,0|2,0,0]=4 2613 B9R1.34 CC1=CC(=CC(=C1)C)C M472043 [0,2,0,0,0,0|2,0,0]=4 2614 B9R1.34 CC1=CC(=CC(=C1)C)C T105012 [0,2,0,0,0,0|2,0,0]=4 2615 B9R1.34 CC1=CC(=CC(=C1)C)C T105015 [0,2,0,0,0,0|2,0,0]=4 2616 B9R1.34 CC1=CC(=CC(=C1)C)C T123871 [0,2,0,0,0,0|2,0,0]=4 2617 B9R1.34 CC1=CC(=CC(=C1)C)C T139982 [0,2,0,0,0,0|2,0,0]=4 2618 B9R1.34 CC1=CC(=CC(=C1)C)C T140692 [0,2,0,0,0,0|2,0,0]=4 2619 B9R1.34 CC1=CC(=CC(=C1)C)C T140693 [0,2,0,0,0,0|2,0,0]=4 2620 B9R1.34 CC1=CC(=CC(=C1)Cl)N C183467 [0,2,0,0,0,0|1,0,0]=3 2621 B9R1.34 CC1=CC(=CC(=C1)F)C F122689 [0,2,0,0,0,0|2,0,0]=4 2622 B9R1.34 CC1=CC(=CC(=C1)F)F D189894 [0,2,0,0,0,0|2,0,0]=4 2623 B9R1.34 CC1=CC(=CC(=C1)F)N F184957 [0,2,0,0,0,0|1,0,0]=3 2624 B9R1.34 CC1=CC(=CC(=C1)F)O F332427 [0,2,0,0,0,0|2,0,0]=4 2625 B9R1.34 CC1=CC(=CC(=C1)I)C I123656 [0,2,0,0,0,0|2,0,0]=4 2626 B9R1.34 CC1=CC(=CC(=C1)I)F F122781 [0,2,0,0,0,0|2,0,0]=4 2627 B9R1.34 CC1=CC(=CC(=C1)O)C D106360 [0,2,0,0,0,0|2,0,0]=4 2628 B9R1.34 CC1=CC(=CC(=C1)O)C D106361 [0,2,0,0,0,0|2,0,0]=4 2629 B9R1.34 CC1=CC(=CC(=C1)O)N A194971 [0,2,0,0,0,0|1,0,0]=3 2630 B9R1.34 CC1=CC(=CC(=C1)O)O D112666 [0,2,0,0,0,0|2,0,0]=4 2631 B9R1.34 CC1=CC(=CC(=C1)O)O D424340 [0,2,0,0,0,0|2,0,0]=4 2632 B9R1.34 CC1=CC(=CC(=C1)O)O O100406 [0,2,0,0,0,0|2,0,0]=4 2633 B9R1.34 CC1=CC(=CC(=C1)S)C D101802 [0,2,0,0,0,0|2,0,0]=4 2634 B9R1.34 CC1=CC(=CC(=N1)Br)Br D590192 [0,2,0,0,0,0|1,0,0]=3 2635 B9R1.34 CC1=CC(=CC(=N1)C)Br W133463 [0,2,0,0,0,0|1,0,0]=3 2636 B9R1.34 CC1=CC(=CC(=N1)C)Cl C183933 [0,2,0,0,0,0|1,0,0]=3 2637 B9R1.34 CC1=CC(=CC(=N1)C)N A138719 [0,2,0,0,0,0|0,0,0]=2 2638 B9R1.34 CC1=CC(=CC(=N1)Cl)Cl D170314 [0,2,0,0,0,0|1,0,0]=3 2639 B9R1.34 CC1=CC(=CC(=N1)N)Br B589364 [0,2,0,0,0,0|1,0,0]=3 2640 B9R1.34 CC1=CC(=CC(=N1)N)Cl A184035 [0,2,0,0,0,0|1,0,0]=3 2641 B9R1.34 CC1=CC(=CC(=O)N1)O D154391 [0,2,0,0,0,0|1,0,1]=4 2642 B9R1.34 CC1=CC(=CC(=O)O1)O H118325 [0,2,0,0,0,0|2,0,0]=4 2643 B9R1.34 CC1=CC(=NC(=C1)Br)Br D194790 [0,2,0,0,0,0|1,0,0]=3 2644 B9R1.34 CC1=CC(=NC(=C1)Br)C B184756 [0,2,0,0,0,0|1,0,0]=3 2645 B9R1.34 CC1=CC(=NC(=C1)Br)F B182230 [0,2,0,0,0,0|1,0,0]=3 2646 B9R1.34 CC1=CC(=NC(=C1)C)C T108942 [0,2,0,0,0,0|1,0,0]=3 2647 B9R1.34 CC1=CC(=NC(=C1)Cl)C C183580 [0,2,0,0,0,0|1,0,0]=3 2648 B9R1.34 CC1=CC(=NC(=C1)Cl)Cl D133693 [0,2,0,0,0,0|1,0,0]=3 2649 B9R1.34 CC1=CC(=NC(=C1)N)C A123441 [0,2,0,0,0,0|1,0,0]=3 2650 B9R1.34 CC1=CC(=NC(=N1)C)N A151326 [0,2,0,0,0,0|1,0,0]=3 2651 B9R1.34 CC1=CC(=NC(=N1)Cl)C C138853 [0,2,0,0,0,0|2,0,0]=4 2652 B9R1.34 CC1=CC(=NC(=N1)Cl)Cl D121814 [0,2,0,0,0,0|2,0,0]=4 2653 B9R1.34 CC1=CC(=NC(=N1)Cl)N C174239 [0,2,0,0,0,0|1,0,0]=3 2654 B9R1.34 CC1=CC(=NC(=N1)N)C A113922 [0,2,0,0,0,0|2,0,0]=4 2655 B9R1.34 CC1=CC(=NC(=N1)N)Cl A113871 [0,2,0,0,0,0|2,0,0]=4 2656 B9R1.34 CC1=CC(=NC(=O)N1)C D136258 [0,2,0,0,0,0|2,0,0]=4 2657 B9R1.34 CC1=CC(=NC(=O)N1)C D138006 [0,2,0,0,0,0|2,0,0]=4 2658 B9R1.34 CC1=CC(=NC(=S)N1)C D106353 [0,2,0,0,0,0|2,0,0]=4 2659 B9R1.34 CC1=CC(=O)C=C(N1)C D138177 [0,2,0,0,0,0|1,0,1]=4 2660 B9R1.34 CC1=CC(=O)C=C(O1)C D107654 [0,2,0,0,0,0|2,0,0]=4 2661 B9R1.34 CC1=CC(=O)NC(=N1)C H139154 [0,2,0,0,0,0|2,0,0]=4 2662 B9R1.34 CC1=CC(=O)NC(=N1)N A151322 [0,2,0,0,0,0|2,0,0]=4 2663 B9R1.34 CC1=CC(=[C-]C(=C1)C)C M466136 [0,2,0,0,0,0|2,0,0]=4 2664 B9R1.34 CC1=CC(=[O+]C(=C1)C)C T162518 [0,2,0,0,0,0|2,0,0]=4 2665 B9R1.34 CC1=NC(=CC(=N1)Cl)Cl D102943 [0,2,0,0,0,0|2,0,0]=4 2666 B9R1.34 CC1=NC(=CC(=O)N1)Cl C167948 [0,2,0,0,0,0|2,0,0]=4 2667 B9R1.34 CC1=NC(=CC(=O)N1)N A151324 [0,2,0,0,0,0|1,0,1]=4 2668 B9R1.34 CC1=NC(=CC(=O)N1)O D123504 [0,2,0,0,0,0|2,0,0]=4 2669 B9R1.34 CC1=NC(=CC(=O)N1)O M190000 [0,2,0,0,0,0|2,0,0]=4 2670 B9R1.34 CC1=NC(=NC(=N1)N)N A106445 [0,2,0,0,0,0|2,0,0]=4 2671 B9R1.34 Cc1cc(C)cc(O)c1 D117390 [0,2,0,0,0,0|2,0,0]=4 2672 B9R1.34 Clc1cc(Cl)cc(Cl)c1 T104661 [0,2,0,0,0,0|2,0,0]=4 2673 B9R1.34 Oc1cc(O)cc(O)c1 P104097 [0,2,0,0,0,0|2,0,0]=4 2674 B7R1.24 C1=CC=C[CH+]C=C1 T162512 [0,0,1,1,0,0|2,0,0]=4 2675 B7R1.24 C1C=CC=CC=C1 C135183 [0,0,1,1,0,0|2,0,0]=4 2676 B7R1.24 C1C=CC=CC=C1 C282631 [0,0,1,1,0,0|2,0,0]=4 2677 B9R2.50 C1CC2=CC=CC=C21 B107638 [0,1,0,1,0,0|2,0,0]=4 2678 B5R1.1 C1=CN=CN1 I108704 [1,0,0,0,1,0|1,0,0]=3 2679 B5R1.1 C1=CN=CN1 I108705 [1,0,0,0,1,0|1,0,0]=3 2680 B5R1.1 C1=CN=CN1 I108706 [1,0,0,0,1,0|1,0,0]=3 2681 B5R1.1 C1=CN=CN1 I108707 [1,0,0,0,1,0|1,0,0]=3 2682 B5R1.1 C1=CN=CN1 I119539 [1,0,0,0,1,0|1,0,0]=3 2683 B5R1.1 C1=CN=CN1 I120637 [1,0,0,0,1,0|1,0,0]=3 2684 B5R1.1 C1=CN=CN1 I157487 [1,0,0,0,1,0|1,0,0]=3 2685 B5R1.1 C1=CN=CN1 I157495 [1,0,0,0,1,0|1,0,0]=3 2686 B5R1.1 C1=CN=CN1 I423011 [1,0,0,0,1,0|1,0,0]=3 2687 B5R1.1 C1=CN=CN1 I432537 [1,0,0,0,1,0|1,0,0]=3 2688 B5R1.1 C1=CN=CN1 I432539 [1,0,0,0,1,0|1,0,0]=3 2689 B5R1.1 C1=CN=CN1 I432546 [1,0,0,0,1,0|1,0,0]=3 2690 B5R1.1 C1=CN=CN1 I485681 [1,0,0,0,1,0|1,0,0]=3 2691 B5R1.1 C1=CNC=C1 P104877 [1,0,0,0,1,0|0,0,1]=3 2692 B5R1.1 C1=CNC=C1 P104878 [1,0,0,0,1,0|0,0,1]=3 2693 B5R1.1 C1=CNC=C1 P104879 [1,0,0,0,1,0|0,0,1]=3 2694 B5R1.1 C1=CNC=C1 P476183 [1,0,0,0,1,0|0,0,1]=3 2695 B5R1.1 C1=CNC=C1 P476334 [1,0,0,0,1,0|0,0,1]=3 2696 B5R1.1 C1=CNN=C1 P100994 [1,0,0,0,1,0|1,0,0]=3 2697 B5R1.1 C1=CNN=C1 P423007 [1,0,0,0,1,0|1,0,0]=3 2698 B5R1.1 C1=COC=N1 O100893 [1,0,0,0,1,0|1,0,0]=3 2699 B5R1.1 C1=CON=C1 I133354 [1,0,0,0,1,0|1,0,0]=3 2700 B5R1.1 C1=CSC=C1 T108258 [1,0,0,0,1,0|1,0,0]=3 2701 B5R1.1 C1=CSC=C1 T108259 [1,0,0,0,1,0|1,0,0]=3 2702 B5R1.1 C1=CSC=N1 T122421 [1,0,0,0,1,0|1,0,0]=3 2703 B5R1.1 C1=CSN=C1 I157521 [1,0,0,0,1,0|1,0,0]=3 2704 B5R1.1 C1=NC=NN1 T100645 [1,0,0,0,1,0|2,0,0]=4 2705 B5R1.1 C1=NC=N[N-]1 S161116 [1,0,0,0,1,0|2,0,0]=4 2706 B5R1.1 C1=NNN=C1 H157233 [1,0,0,0,1,0|2,0,0]=4 2707 B5R1.1 C1=NNN=C1 H588581 [1,0,0,0,1,0|2,0,0]=4 2708 B5R1.1 C1C=CC=[C-]1 B283543 [1,0,0,0,1,0|0,0,2]=4 2709 B5R1.1 C1C=CC=[C-]1 H157415 [1,0,0,0,1,0|0,0,2]=4 2710 B5R1.1 C1C=CC=[C-]1 T106759 [1,0,0,0,1,0|0,0,2]=4 2711 B5R1.1 [CH-]1C=CC=C1 B115565 [1,0,0,0,1,0|0,0,1]=3 2712 B5R1.1 [CH-]1C=CC=C1 C113788 [1,0,0,0,1,0|0,0,1]=3 2713 B5R1.1 [CH-]1C=CC=C1 C299989 [1,0,0,0,1,0|0,0,1]=3 2714 B5R1.1 [CH-]1C=CC=C1 F108389 [1,0,0,0,1,0|0,0,1]=3 2715 B5R1.1 [CH-]1C=CC=C1 F108390 [1,0,0,0,1,0|0,0,1]=3 2716 B5R1.1 [CH-]1C=CC=C1 T283036 [1,0,0,0,1,0|0,0,1]=3 2717 B5R1.1 [CH-]1C=CC=C1 Z103200 [1,0,0,0,1,0|0,0,1]=3