0 B12R2.1081 C1=CC(=C2C=CC=NC2=C1)N A120009 [0,0,0,0,0,0|3,0,0]=3 1 B12R2.1081 C1=CC2=C(C(=C1)Br)N=CC=C2 B107744 [0,0,0,0,0,0|1,0,0]=1 2 B12R2.1081 C1=CC2=C(C(=C1)Cl)N=CC=C2 C153510 [0,0,0,0,0,0|1,0,0]=1 3 B12R2.1081 C1=CC2=C(C(=C1)F)N=CC=C2 F345154 [0,0,0,0,0,0|1,0,0]=1 4 B12R2.1081 C1=CC2=C(C(=C1)I)N=CC=C2 I157529 [0,0,0,0,0,0|1,0,0]=1 5 B12R2.1081 C1=CC2=C(C(=C1)N)N=CC=C2 A105027 [0,0,0,0,0,0|1,0,0]=1 6 B12R2.1081 C1=CC2=C(C(=C1)O)N=CC=C2 H104638 [0,0,0,0,0,0|0,0,0]=0 7 B12R2.1081 C1=CC2=C(C(=C1)O)N=CC=C2 H104639 [0,0,0,0,0,0|0,0,0]=0 8 B12R2.1081 C1=CC2=C(C(=C1)O)N=CC=C2 H110062 [0,0,0,0,0,0|0,0,0]=0 9 B12R2.1081 C1=CC2=C(C(=C1)O)N=CC=C2 H110063 [0,0,0,0,0,0|0,0,0]=0 10 B12R2.1081 C1=CC2=C(C(=C1)O)N=CC=C2 H113449 [0,0,0,0,0,0|0,0,0]=0 11 B12R2.1081 C1=CC2=C(C(=C1)O)N=CC=C2 H119327 [0,0,0,0,0,0|0,0,0]=0 12 B12R2.1081 C1=CC2=C(C(=C1)O)N=CC=C2 H137099 [0,0,0,0,0,0|0,0,0]=0 13 B12R2.1081 C1=CC2=C(C(=C1)O)N=CC=C2 H421736 [0,0,0,0,0,0|0,0,0]=0 14 B12R2.1081 C1=CC2=C(C(=C1)S)N=CC=C2 M158024 [0,0,0,0,0,0|0,1,0]=1 15 B12R2.1081 C1=CC2=C(C(=C1)[O-])N=CC=C2 Q160815 [0,0,0,0,0,0|0,0,1]=1 16 B12R2.1081 C1=CC2=C(C(=NC=C2)N)N=C1 N182213 [0,0,0,0,0,0|2,0,0]=2 17 B12R2.1081 C1=CC2=C(C(=NC=N2)Cl)N=C1 C176667 [0,0,0,0,0,0|3,0,0]=3 18 B12R2.1081 C1=CC2=C(C=CC=N2)C(=C1)Br B120007 [0,0,0,0,0,0|3,0,0]=3 19 B12R2.1081 C1=CC2=C(C=CC=N2)C(=C1)Cl C122693 [0,0,0,0,0,0|3,0,0]=3 20 B12R2.1081 C1=CC2=C(C=CC=N2)C(=C1)O H120008 [0,0,0,0,0,0|2,0,0]=2 21 B12R2.1081 C1=CC2=C(C=CN=C2)C(=C1)Br B102307 [0,0,0,0,0,0|3,0,0]=3 22 B12R2.1081 C1=CC2=C(C=CN=C2)C(=C1)Cl C135973 [0,0,0,0,0,0|3,0,0]=3 23 B12R2.1081 C1=CC2=C(C=CN=C2)C(=C1)I I194049 [0,0,0,0,0,0|3,0,0]=3 24 B12R2.1081 C1=CC2=C(C=CN=C2)C(=C1)N A136406 [0,0,0,0,0,0|3,0,0]=3 25 B12R2.1081 C1=CC2=C(C=CN=C2)C(=C1)N A151038 [0,0,0,0,0,0|3,0,0]=3 26 B12R2.1081 C1=CC2=C(C=CN=C2)C(=C1)O H157389 [0,0,0,0,0,0|2,0,0]=2 27 B12R2.1081 C1=CC2=C(C=CNC2=O)N=C1 N588319 [0,0,0,0,0,0|3,0,1]=4 28 B12R2.1081 C1=CC2=C(C=NC=C2)C(=C1)Br B135052 [0,0,0,0,0,0|3,0,0]=3 29 B12R2.1081 C1=CC2=C(C=NC=C2)C(=C1)Cl C183901 [0,0,0,0,0,0|3,0,0]=3 30 B12R2.1081 C1=CC2=C(C=NC=C2)C(=C1)N A183056 [0,0,0,0,0,0|3,0,0]=3 31 B12R2.1081 C1=CC2=NC=CN=C2C(=C1)O H132676 [0,0,0,0,0,0|1,0,0]=1 32 B12R2.1081 C1=CC2=NC=NC=C2C(=C1)Br B178547 [0,0,0,0,0,0|4,0,0]=4 33 B12R2.1081 C1=CC=C2C(=C1)C(=CC=N2)Br B123566 [0,0,0,0,0,0|3,0,0]=3 34 B12R2.1081 C1=CC=C2C(=C1)C(=CC=N2)Cl C123219 [0,0,0,0,0,0|3,0,0]=3 35 B12R2.1081 C1=CC=C2C(=C1)C(=CC=N2)N A151254 [0,0,0,0,0,0|3,0,0]=3 36 B12R2.1081 C1=CC=C2C(=C1)C(=NC=N2)Cl C123527 [0,0,0,0,0,0|4,0,0]=4 37 B12R2.1081 C1=CC=C2C(=C1)C(=NC=N2)N Q167437 [0,0,0,0,0,0|4,0,0]=4 38 B12R2.1081 C1=CC=C2C(=C1)C(=O)C=CN2 Q160821 [0,0,0,0,0,0|2,0,1]=3 39 B12R2.1081 C1=CC=C2C(=C1)C(=O)C=CO2 C170570 [0,0,0,0,0,0|2,0,1]=3 40 B12R2.1081 C1=CC=C2C(=C1)C(=O)NC=N2 H157172 [0,0,0,0,0,0|3,0,1]=4 41 B12R2.1081 C1=CC=C2C(=C1)C=CC=C2Br B109259 [0,0,0,0,0,0|2,0,0]=2 42 B12R2.1081 C1=CC=C2C(=C1)C=CC=C2Cl C104849 [0,0,0,0,0,0|2,0,0]=2 43 B12R2.1081 C1=CC=C2C(=C1)C=CC=C2Cl C104850 [0,0,0,0,0,0|2,0,0]=2 44 B12R2.1081 C1=CC=C2C(=C1)C=CC=C2F F115808 [0,0,0,0,0,0|2,0,0]=2 45 B12R2.1081 C1=CC=C2C(=C1)C=CC=C2I I108083 [0,0,0,0,0,0|2,0,0]=2 46 B12R2.1081 C1=CC=C2C(=C1)C=CC=C2N N103784 [0,0,0,0,0,0|2,0,0]=2 47 B12R2.1081 C1=CC=C2C(=C1)C=CC=C2N N103786 [0,0,0,0,0,0|2,0,0]=2 48 B12R2.1081 C1=CC=C2C(=C1)C=CC=C2N N108419 [0,0,0,0,0,0|2,0,0]=2 49 B12R2.1081 C1=CC=C2C(=C1)C=CC=C2N N108420 [0,0,0,0,0,0|2,0,0]=2 50 B12R2.1081 C1=CC=C2C(=C1)C=CC=C2O N103797 [0,0,0,0,0,0|1,0,0]=1 51 B12R2.1081 C1=CC=C2C(=C1)C=CC=C2O N103798 [0,0,0,0,0,0|1,0,0]=1 52 B12R2.1081 C1=CC=C2C(=C1)C=CC=C2O N128915 [0,0,0,0,0,0|1,0,0]=1 53 B12R2.1081 C1=CC=C2C(=C1)C=CC=[N+]2[O-] Q160820 [0,0,0,0,0,0|2,0,1]=3 54 B12R2.1081 C1=CC=C2C(=C1)C=CC=[N+]2[O-] Q189042 [0,0,0,0,0,0|2,0,1]=3 55 B12R2.1081 C1=CC=C2C(=C1)C=CN=C2Br B120013 [0,0,0,0,0,0|3,0,0]=3 56 B12R2.1081 C1=CC=C2C(=C1)C=CN=C2Cl C103592 [0,0,0,0,0,0|3,0,0]=3 57 B12R2.1081 C1=CC=C2C(=C1)C=CN=C2Cl C598621 [0,0,0,0,0,0|3,0,0]=3 58 B12R2.1081 C1=CC=C2C(=C1)C=CN=C2I I157443 [0,0,0,0,0,0|3,0,0]=3 59 B12R2.1081 C1=CC=C2C(=C1)C=CN=C2N A122683 [0,0,0,0,0,0|3,0,0]=3 60 B12R2.1081 C1=CC=C2C(=C1)C=CNC2=O I119399 [0,0,0,0,0,0|2,0,1]=3 61 B12R2.1081 C1=CC=C2C(=C1)C=NC=C2Br B123611 [0,0,0,0,0,0|3,0,0]=3 62 B12R2.1081 C1=CC=C2C(=C1)C=NC=C2F F404471 [0,0,0,0,0,0|3,0,0]=3 63 B12R2.1081 C1=CC=C2C(=C1)C=NC=C2N I133193 [0,0,0,0,0,0|3,0,0]=3 64 B12R2.1081 C1=CC=C2C(=C1)C=NC=C2O H183785 [0,0,0,0,0,0|2,0,0]=2 65 B12R2.1081 C1=CC=C2C(=C1)C=NN=C2Cl C589546 [0,0,0,0,0,0|4,0,0]=4 66 B12R2.1081 C1=CC=C2C(=C1)C=NNC2=O P138088 [0,0,0,0,0,0|3,0,1]=4 67 B12R2.1081 C1=CC=C2C(=C1)N=CC=[N+]2[O-] Q340444 [0,0,0,0,0,0|3,0,1]=4 68 B12R2.1081 C1=CN=C(C2=NC=CN=C21)Cl C182771 [0,0,0,0,0,0|3,0,0]=3 69 B12R2.1081 C1=CNC(=O)C2=C1C=NC=C2 N590231 [0,0,0,0,0,0|3,0,1]=4 70 B12R2.1081 C1CC2=C(C(=CC=C2)O)NC1 T194472 [0,0,0,0,0,0|0,0,4]=4 71 B12R2.1081 C1CCC2=C(C1)C=CC=C2O T162494 [0,0,0,0,0,0|1,0,3]=4 72 B12R2.1081 CC1=C2C(=CC=C1)C=CC=N2 M110222 [0,0,0,0,0,0|1,0,0]=1 73 B12R2.1081 CC1=C2C(=CC=C1)N=CC=N2 M158444 [0,0,0,0,0,0|2,0,0]=2 74 B12R2.1081 CC1=C2C=CC=NC2=CC=C1 M194970 [0,0,0,0,0,0|3,0,0]=3 75 B12R2.1081 CC1=CC=CC2=CC=CC=C12 M104855 [0,0,0,0,0,0|2,0,0]=2 76 B12R2.1081 CC1=CC=CC2=CC=CC=C12 M104856 [0,0,0,0,0,0|2,0,0]=2 77 B12R2.1081 CC1=CC=CC2=CC=CC=C12 M104858 [0,0,0,0,0,0|2,0,0]=2 78 B12R2.1081 CC1=CC=CC2=CC=CC=C12 M190561 [0,0,0,0,0,0|2,0,0]=2 79 B12R2.1081 CC1=CC=NC2=CC=CC=C12 M106749 [0,0,0,0,0,0|3,0,0]=3 80 B12R2.1081 CC1=NC=CC2=CC=CC=C12 M157781 [0,0,0,0,0,0|3,0,0]=3 81 B11R2.20 C1=CC2=C(C=CC=N2)N=C1 N133086 [1,0,0,0,0,0|1,0,0]=2 82 B11R2.20 C1=CC2=C(N=C1)N=CC=C2 N133764 [1,0,0,0,0,0|1,0,0]=2 83 B11R2.20 C1=CC=C2C(=C1)C=CC=N2 Q110656 [1,0,0,0,0,0|0,0,0]=1 84 B11R2.20 C1=CC=C2C(=C1)C=CC=N2 Q110657 [1,0,0,0,0,0|0,0,0]=1 85 B11R2.20 C1=CC=C2C(=C1)C=CC=N2 Q110658 [1,0,0,0,0,0|0,0,0]=1 86 B11R2.20 C1=CC=C2C(=C1)C=CC=N2 Q134192 [1,0,0,0,0,0|0,0,0]=1 87 B11R2.20 C1=CC=C2C(=C1)C=CC=[NH+]2 Q160825 [1,0,0,0,0,0|0,0,1]=2 88 B11R2.20 C1=CC=C2C(=C1)C=NC=N2 Q107983 [1,0,0,0,0,0|1,0,0]=2 89 B11R2.20 C1=CC=C2C(=C1)N=CC=N2 Q160826 [1,0,0,0,0,0|1,0,0]=2 90 B11R2.20 C1=CC=C2C=CC=CC2=C1 N110796 [1,0,0,0,0,0|1,0,0]=2 91 B11R2.20 C1=CC=C2C=CC=CC2=C1 N110798 [1,0,0,0,0,0|1,0,0]=2 92 B11R2.20 C1=CC=C2C=CC=CC2=C1 N110799 [1,0,0,0,0,0|1,0,0]=2 93 B11R2.20 C1=CC=C2C=CC=CC2=C1 N110801 [1,0,0,0,0,0|1,0,0]=2 94 B11R2.20 C1=CC=C2C=CC=CC2=C1 N114091 [1,0,0,0,0,0|1,0,0]=2 95 B11R2.20 C1=CC=C2C=CC=CC2=C1 N119547 [1,0,0,0,0,0|1,0,0]=2 96 B11R2.20 C1=CC=C2C=CC=CC2=C1 N128175 [1,0,0,0,0,0|1,0,0]=2 97 B11R2.20 C1=CC=C2C=CC=CC2=C1 N141241 [1,0,0,0,0,0|1,0,0]=2 98 B11R2.20 C1=CC=C2C=NC=CC2=C1 I105573 [1,0,0,0,0,0|2,0,0]=3 99 B11R2.20 C1=CC=C2C=NN=CC2=C1 P160145 [1,0,0,0,0,0|3,0,0]=4 100 B11R2.20 C1=CC=C2C=[C-]C=CC2=C1 N140702 [1,0,0,0,0,0|1,0,1]=3 101 B11R2.20 C1=CC=C2[C-]=CC=CC2=C1 N140777 [1,0,0,0,0,0|1,0,0]=2 102 B11R2.20 C1C=CCC2=CC=CC=C21 D155281 [1,0,0,0,0,0|1,0,1]=3 103 B11R2.20 C1CC2=CC=CC=C2C=C1 D155011 [1,0,0,0,0,0|1,0,1]=3 104 B11R2.20 C1CN=CC2=CC=CC=C21 D169557 [1,0,0,0,0,0|2,0,1]=4 105 B13R2.32 C1=CC2=C(C(=C(C=C2)Br)O)N=C1 B468672 [0,1,0,0,0,0|0,0,0]=1 106 B13R2.32 C1=CC2=C(C(=C(C=C2)F)F)N=C1 D587283 [0,1,0,0,0,0|1,0,0]=2 107 B13R2.32 C1=CC2=C(C=CC(=C2Br)N)N=C1 B589285 [0,1,0,0,0,0|3,0,0]=4 108 B13R2.32 C1=CC2=C(C=CC(=C2N)Cl)N=C1 A183833 [0,1,0,0,0,0|3,0,0]=4 109 B13R2.32 C1=CC2=NC=CN=C2C(=C1N)Br A151240 [0,1,0,0,0,0|2,0,0]=3 110 B13R2.32 C1=CC=C2C(=C1)C(=C(C=N2)Br)Cl B479435 [0,1,0,0,0,0|3,0,0]=4 111 B13R2.32 C1=CC=C2C(=C1)C(=C(C=N2)Br)N A184061 [0,1,0,0,0,0|3,0,0]=4 112 B13R2.32 C1=CC=C2C(=C1)C(=O)C(=CN2)Br B177058 [0,1,0,0,0,0|2,0,1]=4 113 B13R2.32 C1=CC=C2C(=C1)C(=O)C(=CN2)I I139143 [0,1,0,0,0,0|2,0,1]=4 114 B13R2.32 C1=CC=C2C(=C1)C=CC(=C2Br)N B587992 [0,1,0,0,0,0|2,0,0]=3 115 B13R2.32 C1=CC=C2C(=C1)C=CC(=C2Br)O B113799 [0,1,0,0,0,0|2,0,0]=3 116 B13R2.32 C1=CC=C2C(=C1)C=CC(=C2Cl)N C587556 [0,1,0,0,0,0|2,0,0]=3 117 B13R2.32 C1=CC=C2C(=C1)C=CC(=C2Cl)O C405501 [0,1,0,0,0,0|2,0,0]=3 118 B13R2.32 C1=CC=C2C(=C1)C=CC(=C2I)O I168379 [0,1,0,0,0,0|2,0,0]=3 119 B13R2.32 C1=CC=C2C(=C1)C=CC(=C2N)Br A151779 [0,1,0,0,0,0|2,0,0]=3 120 B13R2.32 C1=CC=C2C(=C1)C=CC(=C2N)O A113869 [0,1,0,0,0,0|2,0,0]=3 121 B13R2.32 C1=CC=C2C(=C1)C=CC(=C2O)O D156000 [0,1,0,0,0,0|1,0,0]=2 122 B13R2.32 C1=CC=C2C(=C1)C=CC(=O)C2=O N113473 [0,1,0,0,0,0|1,0,1]=3 123 B13R2.32 CC1=C(C2=C(C=C1)C=NC=C2)Br B331979 [0,1,0,0,0,0|3,0,0]=4 124 B13R2.32 CC1=C(C2=C(C=C1)N=CC=C2)N A170637 [0,1,0,0,0,0|3,0,0]=4 125 B13R2.32 CC1=C(C2=CC=CC=C2C=C1)Br B133089 [0,1,0,0,0,0|2,0,0]=3 126 B13R2.32 CC1=C(C2=CC=CC=C2C=C1)C D155010 [0,1,0,0,0,0|2,0,0]=3 127 B13R2.32 CC1=C(C2=CC=CC=C2C=C1)N A111244 [0,1,0,0,0,0|2,0,0]=3 128 B13R2.32 CC1=C(C2=CC=CC=C2C=C1)O M355650 [0,1,0,0,0,0|1,0,0]=2 129 B13R2.32 CC1=C(C=CC2=C1C=CC=N2)Br B407441 [0,1,0,0,0,0|3,0,0]=4 130 B13R2.32 CC1=C(C=CC2=C1N=CC=C2)Br B186707 [0,1,0,0,0,0|1,0,0]=2 131 B13R2.32 CC1=C(C=CC2=C1N=CC=C2)Cl C186641 [0,1,0,0,0,0|1,0,0]=2 132 B13R2.32 CC1=C(C=CC2=CC=CC=C12)O M586324 [0,1,0,0,0,0|2,0,0]=3 133 B13R2.32 CC1=[N+](C2=CC=CC=C2C=C1)[O-] M405749 [0,1,0,0,0,0|2,0,1]=4 134 B13R2.32 CN1C=CC2=CC=CC=C2C1=O M589178 [0,1,0,0,0,0|2,0,1]=4 135 B13R2.162 C1=CC(=CC2=C1C=CN=C2Cl)Br B133069 [0,1,0,0,0,0|3,0,0]=4 136 B13R2.162 C1=CC(=CC2=C1C=CNC2=O)Br B588226 [0,1,0,0,0,0|2,0,1]=4 137 B13R2.162 C1=CC(=NC2=C1N=CN=C2Cl)Cl D174994 [0,1,0,0,0,0|3,0,0]=4 138 B13R2.162 C1=CC2=C(C(=C1)Br)N=C(C=C2)Cl B181907 [0,1,0,0,0,0|1,0,0]=2 139 B13R2.162 C1=CC2=C(C(=C1)Cl)N=C(C=C2)Cl D124597 [0,1,0,0,0,0|1,0,0]=2 140 B13R2.162 C1=CC2=C(C(=C1)Cl)NC(=O)C=C2 C168922 [0,1,0,0,0,0|1,0,1]=3 141 B13R2.162 C1=CC2=C(C(=C1)F)N=C(C=C2)Cl C166675 [0,1,0,0,0,0|1,0,0]=2 142 B13R2.162 C1=CC2=C(C(=C1)O)N=C(C=C2)N A136838 [0,1,0,0,0,0|0,0,0]=1 143 B13R2.162 C1=CC2=C(C(=C1)O)NC(=O)C=C2 H137479 [0,1,0,0,0,0|0,0,1]=2 144 B13R2.162 C1=CC2=C(C=C(C=C2)Br)C(=C1)N B587086 [0,1,0,0,0,0|2,0,0]=3 145 B13R2.162 C1=CC2=C(C=C(C=C2)F)C(=C1)O F588686 [0,1,0,0,0,0|1,0,0]=2 146 B13R2.162 C1=CC2=C(C=C(C=C2)N)C(=C1)Br B587599 [0,1,0,0,0,0|2,0,0]=3 147 B13R2.162 C1=CC2=C(C=C(C=C2)O)C(=C1)N A115390 [0,1,0,0,0,0|2,0,0]=3 148 B13R2.162 C1=CC2=C(C=C(C=C2)O)C(=C1)N A196891 [0,1,0,0,0,0|2,0,0]=3 149 B13R2.162 C1=CC2=C(C=C(C=C2)O)C(=C1)O D156007 [0,1,0,0,0,0|1,0,0]=2 150 B13R2.162 C1=CC2=C(C=C(C=N2)Br)C(=C1)O B189728 [0,1,0,0,0,0|2,0,0]=3 151 B13R2.162 C1=CC2=C(C=C1Br)C(=O)C=CN2 B120086 [0,1,0,0,0,0|2,0,1]=4 152 B13R2.162 C1=CC2=C(C=C1Br)C(=O)C=CN2 B588755 [0,1,0,0,0,0|2,0,1]=4 153 B13R2.162 C1=CC2=C(C=C1Br)C(=O)C=CO2 B153020 [0,1,0,0,0,0|2,0,1]=4 154 B13R2.162 C1=CC2=C(C=C1Cl)C(=O)C=CN2 C153518 [0,1,0,0,0,0|2,0,1]=4 155 B13R2.162 C1=CC2=C(C=C1Cl)C(=O)C=CO2 C153611 [0,1,0,0,0,0|2,0,1]=4 156 B13R2.162 C1=CC2=C(C=C1F)C(=O)C=CN2 F349582 [0,1,0,0,0,0|2,0,1]=4 157 B13R2.162 C1=CC2=C(C=C1F)C(=O)C=CO2 F156696 [0,1,0,0,0,0|2,0,1]=4 158 B13R2.162 C1=CC2=NC=CC(=C2C=C1Br)Cl B134716 [0,1,0,0,0,0|3,0,0]=4 159 B13R2.162 C1=CC2=NC=CC(=C2C=C1Br)I B188321 [0,1,0,0,0,0|3,0,0]=4 160 B13R2.162 C1=CC2=NC=CC(=C2C=C1Br)N B135251 [0,1,0,0,0,0|3,0,0]=4 161 B13R2.162 C1=CC2=NC=CC(=C2C=C1Cl)Cl D134967 [0,1,0,0,0,0|3,0,0]=4 162 B13R2.162 C1=CC2=NC=CC(=C2C=C1F)Br B479331 [0,1,0,0,0,0|3,0,0]=4 163 B13R2.162 C1=CC2=NC=CC(=C2C=C1F)Cl C170089 [0,1,0,0,0,0|3,0,0]=4 164 B13R2.162 CC1=C2C=C(C=CC2=NC=C1)Br B137599 [0,1,0,0,0,0|3,0,0]=4 165 B13R2.162 CC1=CC2=C(C=C1)NC=CC2=O H168855 [0,1,0,0,0,0|2,0,1]=4 166 B13R2.162 CC1=CC2=C(C=C1)OC=CC2=O M158437 [0,1,0,0,0,0|2,0,1]=4 167 B13R2.162 CC1=CC2=C(C=CC=C2N)C=C1 M194622 [0,1,0,0,0,0|2,0,0]=3 168 B13R2.162 CC1=CC2=C(C=CN=C2C=C1)Cl C153505 [0,1,0,0,0,0|3,0,0]=4 169 B13R2.162 CC1=NC2=C(C=CC=C2Br)C=C1 B123549 [0,1,0,0,0,0|1,0,0]=2 170 B13R2.162 CC1=NC2=C(C=CC=C2Cl)C=C1 C169413 [0,1,0,0,0,0|1,0,0]=2 171 B13R2.162 CC1=NC2=C(C=CC=C2N)C=C1 A151248 [0,1,0,0,0,0|1,0,0]=2 172 B13R2.162 CC1=NC2=C(C=CC=C2O)C=C1 H111087 [0,1,0,0,0,0|0,0,0]=1 173 B13R2.328 C1=CC2=C(C(=NC(=N2)Cl)Cl)N=C1 D176372 [0,1,0,0,0,0|3,0,0]=4 174 B13R2.328 C1=CC2=CC(=CC(=C2N=C1)Cl)Br B587574 [0,1,0,0,0,0|1,0,0]=2 175 B13R2.328 C1=CC2=CC(=CC(=C2N=C1)Cl)O C191677 [0,1,0,0,0,0|1,0,0]=2 176 B13R2.328 C1=CC2=CC(=CC(=C2N=C1)F)Br B182883 [0,1,0,0,0,0|1,0,0]=2 177 B13R2.328 C1=CC2=CC(=CC(=C2N=C1)O)Br B587141 [0,1,0,0,0,0|0,0,0]=1 178 B13R2.328 C1=CC=C2C(=C1)C(=CC(=N2)Br)Br D468912 [0,1,0,0,0,0|3,0,0]=4 179 B13R2.328 C1=CC=C2C(=C1)C(=CC(=N2)Cl)Cl D135675 [0,1,0,0,0,0|3,0,0]=4 180 B13R2.328 C1=CC=C2C(=C1)C(=CC(=O)N2)O Q102244 [0,1,0,0,0,0|2,0,0]=3 181 B13R2.328 C1=CC=C2C(=C1)C(=CC(=O)O2)O H107607 [0,1,0,0,0,0|2,0,0]=3 182 B13R2.328 C1=CC=C2C(=C1)C(=O)C=C(N2)N B301240 [0,1,0,0,0,0|2,0,1]=4 183 B13R2.328 C1=CC=C2C(=C1)C=C(C=C2Br)O B589453 [0,1,0,0,0,0|2,0,0]=3 184 B13R2.328 C1=CC=C2C(=C1)C=C(C=C2O)O D106385 [0,1,0,0,0,0|1,0,0]=2 185 B13R2.328 C1=CC=C2C(=C1)C=C(N=C2Br)N B586969 [0,1,0,0,0,0|3,0,0]=4 186 B13R2.328 C1=CC=C2C(=C1)C=C(N=C2Cl)Cl D119411 [0,1,0,0,0,0|3,0,0]=4 187 B13R2.328 C1=CN=C2C(=CC(=CC2=N1)Br)F B190098 [0,1,0,0,0,0|2,0,0]=3 188 B13R2.328 CC1=CC(=NC2=CC=CC=C12)C D123636 [0,1,0,0,0,0|3,0,0]=4 189 B13R2.328 CC1=CC(=NC2=CC=CC=C12)Cl C123556 [0,1,0,0,0,0|3,0,0]=4 190 B13R2.328 CC1=CC(=NC2=CC=CC=C12)Cl C400404 [0,1,0,0,0,0|3,0,0]=4 191 B13R2.328 CC1=CC(=O)C2=CC=CC=C2N1 H120274 [0,1,0,0,0,0|2,0,1]=4 192 B13R2.328 CC1=CC(=O)C2=CC=CC=C2O1 M589535 [0,1,0,0,0,0|2,0,1]=4 193 B13R2.328 CC1=CC(=O)NC2=CC=CC=C12 M158110 [0,1,0,0,0,0|3,0,0]=4 194 B13R2.328 CC1=CC(=O)OC2=CC=CC=C12 M404694 [0,1,0,0,0,0|3,0,0]=4 195 B13R2.328 CC1=CC2=CC=CC=C2C(=C1)C D155003 [0,1,0,0,0,0|2,0,0]=3 196 B13R2.328 CC1=NC2=CC=CC=C2C(=C1)Br B193623 [0,1,0,0,0,0|3,0,0]=4 197 B13R2.328 CC1=NC2=CC=CC=C2C(=C1)Cl C139382 [0,1,0,0,0,0|3,0,0]=4 198 B13R2.328 CC1=NC2=CC=CC=C2C(=C1)N A113940 [0,1,0,0,0,0|3,0,0]=4 199 B13R2.342 C1=CC2=C(C(=C1)Br)NC=CC2=O W133925 [0,1,0,0,0,0|1,0,1]=3 200 B13R2.342 C1=CC2=C(C(=C1)F)N=CN=C2Cl C586748 [0,1,0,0,0,0|2,0,0]=3 201 B13R2.342 C1=CC2=C(C(=C1)F)NC=CC2=O F135045 [0,1,0,0,0,0|1,0,1]=3 202 B13R2.342 C1=CC2=C(C=CC=C2Br)C(=C1)Br D136763 [0,1,0,0,0,0|2,0,0]=3 203 B13R2.342 C1=CC2=C(C=CC=C2Br)C(=C1)F B588696 [0,1,0,0,0,0|2,0,0]=3 204 B13R2.342 C1=CC2=C(C=CC=C2Br)C(=C1)N B193528 [0,1,0,0,0,0|2,0,0]=3 205 B13R2.342 C1=CC2=C(C=CC=C2Cl)C(=C1)N C588523 [0,1,0,0,0,0|2,0,0]=3 206 B13R2.342 C1=CC2=C(C=CC=C2N)C(=C1)N D135799 [0,1,0,0,0,0|2,0,0]=3 207 B13R2.342 C1=CC2=C(C=CC=C2O)C(=C1)N A115198 [0,1,0,0,0,0|1,0,0]=2 208 B13R2.342 C1=CC2=C(C=CC=C2O)C(=C1)O D109042 [0,1,0,0,0,0|1,0,0]=2 209 B13R2.342 C1=CC2=C(C=CC=C2S)C(=C1)S D155417 [0,1,0,0,0,0|1,1,0]=3 210 B13R2.342 C1=CC2=C(C=CN=C2C(=C1)Br)Br D586304 [0,1,0,0,0,0|1,0,0]=2 211 B13R2.342 C1=CC2=C(C=CN=C2C(=C1)Br)Cl B479317 [0,1,0,0,0,0|1,0,0]=2 212 B13R2.342 C1=CC2=C(C=CN=C2C(=C1)Br)N A185831 [0,1,0,0,0,0|1,0,0]=2 213 B13R2.342 C1=CC2=C(C=CN=C2C(=C1)Cl)Br B188319 [0,1,0,0,0,0|1,0,0]=2 214 B13R2.342 C1=CC2=C(C=CN=C2C(=C1)Cl)Cl D588143 [0,1,0,0,0,0|1,0,0]=2 215 B13R2.342 C1=CC2=C(C=CN=C2C(=C1)F)Br B188318 [0,1,0,0,0,0|1,0,0]=2 216 B13R2.342 C1=CC2=C(C=CN=C2C(=C1)F)Cl C405495 [0,1,0,0,0,0|1,0,0]=2 217 B13R2.342 C1=CC2=C(C=CN=C2Cl)C(=C1)Br B183878 [0,1,0,0,0,0|3,0,0]=4 218 B13R2.342 C1=CC2=C(C=CNC2=O)C(=C1)Br B175352 [0,1,0,0,0,0|2,0,1]=4 219 B13R2.342 C1=CC2=C(C=CNC2=O)C(=C1)N A188364 [0,1,0,0,0,0|2,0,1]=4 220 B13R2.342 C1CC2=C(C=CC=C2O)C(=O)C1 H102207 [0,1,0,0,0,0|1,0,2]=4 221 B13R2.342 CC1=C2C(=CC=C1)C(=O)NC=N2 M182414 [0,1,0,0,0,0|2,0,0]=3 222 B13R2.342 CC1=C2C=CC=C(C2=CC=C1)C D155021 [0,1,0,0,0,0|2,0,0]=3 223 B13R2.342 C[N+]1=CC=CC2=C(C=CC=C21)N N288820 [0,1,0,0,0,0|3,0,0]=4 224 B13R2.371 C1=CC(=C2C(=C1Br)N=CC=N2)Br D167396 [0,1,0,0,0,0|2,0,0]=3 225 B13R2.371 C1=CC(=C2C=CN=CC2=C1N)Br A188021 [0,1,0,0,0,0|3,0,0]=4 226 B13R2.371 C1=CC(=C2C=NC=CC2=C1Br)Br D186711 [0,1,0,0,0,0|3,0,0]=4 227 B13R2.371 C1=CC2=C(C(=NN=C2Cl)Cl)N=C1 D177237 [0,1,0,0,0,0|3,0,0]=4 228 B13R2.371 C1=CC2=C(C=CC(=C2N=C1)Br)Br D186728 [0,1,0,0,0,0|1,0,0]=2 229 B13R2.371 C1=CC2=C(C=CC(=C2N=C1)Br)N B586474 [0,1,0,0,0,0|1,0,0]=2 230 B13R2.371 C1=CC2=C(C=CC(=C2N=C1)Cl)N A186442 [0,1,0,0,0,0|1,0,0]=2 231 B13R2.371 C1=CC2=C(C=CC(=C2N=C1)N)Br B303919 [0,1,0,0,0,0|1,0,0]=2 232 B13R2.371 C1=CC2=C(C=CC(=C2N=C1)O)Br B138092 [0,1,0,0,0,0|0,0,0]=1 233 B13R2.371 C1=CC2=C(C=CC(=C2N=C1)O)Cl C118366 [0,1,0,0,0,0|0,0,0]=1 234 B13R2.371 C1=CC2=C(C=CC(=C2N=C1)O)F F121527 [0,1,0,0,0,0|0,0,0]=1 235 B13R2.371 C1=CC2=C(C=CC(=C2N=C1)O)N A151249 [0,1,0,0,0,0|0,0,0]=1 236 B13R2.371 C1=CC=C2C(=C1)C(=CC=C2Br)Br D101014 [0,1,0,0,0,0|2,0,0]=3 237 B13R2.371 C1=CC=C2C(=C1)C(=CC=C2Br)F B123099 [0,1,0,0,0,0|2,0,0]=3 238 B13R2.371 C1=CC=C2C(=C1)C(=CC=C2Br)N A124442 [0,1,0,0,0,0|2,0,0]=3 239 B13R2.371 C1=CC=C2C(=C1)C(=CC=C2Br)O B171039 [0,1,0,0,0,0|1,0,0]=2 240 B13R2.371 C1=CC=C2C(=C1)C(=CC=C2Cl)O C109038 [0,1,0,0,0,0|1,0,0]=2 241 B13R2.371 C1=CC=C2C(=C1)C(=CC=C2I)Br B152880 [0,1,0,0,0,0|2,0,0]=3 242 B13R2.371 C1=CC=C2C(=C1)C(=CC=C2N)N D468967 [0,1,0,0,0,0|2,0,0]=3 243 B13R2.371 C1=CC=C2C(=C1)C(=CC=C2O)N A151160 [0,1,0,0,0,0|1,0,0]=2 244 B13R2.371 C1=CC=C2C(=C1)C(=CC=C2O)O D476960 [0,1,0,0,0,0|1,0,0]=2 245 B13R2.371 C1=CC=C2C(=C1)C(=CC=[N+]2[O-])Cl C405553 [0,1,0,0,0,0|2,0,1]=4 246 B13R2.371 C1=CC=C2C(=C1)C(=CN=C2Cl)Br B185912 [0,1,0,0,0,0|3,0,0]=4 247 B13R2.371 C1=CC=C2C(=C1)C(=CN=C2Cl)O C124730 [0,1,0,0,0,0|2,0,0]=3 248 B13R2.371 C1=CC=C2C(=C1)C(=CNC2=O)Br B170112 [0,1,0,0,0,0|2,0,1]=4 249 B13R2.371 C1=CC=C2C(=O)C=CC(=O)C2=C1 N106403 [0,1,0,0,0,0|1,0,1]=3 250 B13R2.371 C1=CC=C2C(=O)C=CC(=O)C2=C1 N421176 [0,1,0,0,0,0|1,0,1]=3 251 B13R2.371 CC1=C2C(=C(C=C1)Cl)C=CC=N2 C186642 [0,1,0,0,0,0|1,0,0]=2 252 B13R2.371 CC1=C2C=CC=NC2=C(C=C1)O M193905 [0,1,0,0,0,0|0,0,0]=1 253 B13R2.371 CC1=CC=C(C2=CC=CC=C12)Br B185890 [0,1,0,0,0,0|2,0,0]=3 254 B13R2.371 CC1=CC=C(C2=CC=CC=C12)C D155046 [0,1,0,0,0,0|2,0,0]=3 255 B13R2.371 CC1=CC=C(C2=CC=CC=C12)O M586172 [0,1,0,0,0,0|1,0,0]=2 256 B13R2.1613 C#CC1=CC=CC2=CC=CC=C21 E303011 [0,1,0,0,0,0|2,0,0]=3 257 B13R2.1613 C1=CC2=C(C(=C1)C=O)N=CC=C2 Q123921 [0,1,0,0,0,0|0,0,1]=2 258 B13R2.1613 C1=CC2=C(C(=C1)CBr)N=CC=C2 W136862 [0,1,0,0,0,0|1,0,0]=2 259 B13R2.1613 C1=CC2=C(C=NC=C2)C(=C1)C=O I186636 [0,1,0,0,0,0|2,0,1]=4 260 B13R2.1613 C1=CC=C2C(=C1)C(=CC=N2)C=O Q123539 [0,1,0,0,0,0|2,0,1]=4 261 B13R2.1613 C1=CC=C2C(=C1)C=CC=C2C#N N104556 [0,1,0,0,0,0|2,0,0]=3 262 B13R2.1613 C1=CC=C2C(=C1)C=CC=C2C=O N111813 [0,1,0,0,0,0|1,0,1]=3 263 B13R2.1613 C1=CC=C2C(=C1)C=CC=C2CBr B152874 [0,1,0,0,0,0|2,0,0]=3 264 B13R2.1613 C1=CC=C2C(=C1)C=CC=C2CCl C135697 [0,1,0,0,0,0|2,0,0]=3 265 B13R2.1613 C1=CC=C2C(=C1)C=CC=C2CN N109421 [0,1,0,0,0,0|2,0,0]=3 266 B13R2.1613 C1=CC=C2C(=C1)C=CC=C2CN N196606 [0,1,0,0,0,0|2,0,0]=3 267 B13R2.1613 C1=CC=C2C(=C1)C=CC=C2CN N303625 [0,1,0,0,0,0|2,0,0]=3 268 B13R2.1613 C1=CC=C2C(=C1)C=CC=C2CN N491987 [0,1,0,0,0,0|2,0,0]=3 269 B13R2.1613 C1=CC=C2C(=C1)C=CC=C2CO N102029 [0,1,0,0,0,0|1,0,0]=2 270 B13R2.1613 C1=CC=C2C(=C1)C=CC=C2NN N133744 [0,1,0,0,0,0|2,0,0]=3 271 B13R2.1613 C1=CC=C2C(=C1)C=CN=C2C#N I166383 [0,1,0,0,0,0|3,0,0]=4 272 B13R2.1613 C1=CC=C2C(=C1)C=CN=C2C=O I589155 [0,1,0,0,0,0|2,0,1]=4 273 B13R2.1613 C1=CC=C2C(=C1)C=NC=C2C=O I123206 [0,1,0,0,0,0|2,0,1]=4 274 B13R2.1613 C1CC2=C(C(=NO)C1)N=CC=C2 D589565 [0,1,0,0,0,0|0,0,3]=4 275 B13R2.1613 C=CC1=CC=CC2=CC=CC=C21 V136897 [0,1,0,0,0,0|2,0,0]=3 276 B13R2.1613 CCC1=CC=CC2=CC=CC=C21 E122580 [0,1,0,0,0,0|2,0,0]=3 277 B13R2.1613 CC[N+]1=CC=CC2=CC=CC=C21 Q160823 [0,1,0,0,0,0|3,0,0]=4 278 B13R2.1613 CNC1=CC=CC2=CC=CC=C21 N192127 [0,1,0,0,0,0|2,0,0]=3 279 B13R2.1613 CNC1=CC=CC2=CC=CC=C21 N196607 [0,1,0,0,0,0|2,0,0]=3 280 B13R2.1613 COC1=CC=CC2=C1C=CC=N2 M186066 [0,1,0,0,0,0|2,0,0]=3 281 B13R2.1613 COC1=CC=CC2=C1C=CN=C2 M195758 [0,1,0,0,0,0|2,0,0]=3 282 B13R2.1613 COC1=CC=CC2=C1N=CC=C2 M158099 [0,1,0,0,0,0|0,0,0]=1 283 B13R2.1613 COC1=CC=CC2=CC=CC=C21 M107755 [0,1,0,0,0,0|1,0,0]=2 284 B13R2.1613 COC1=CC=NC2=CC=CC=C21 M589632 [0,1,0,0,0,0|2,0,0]=3 285 B13R2.1613 COC1=CN=CC2=CC=CC=C21 M192983 [0,1,0,0,0,0|2,0,0]=3 286 B13R2.4818 C1=CC2=C(C(=C1)Br)C(=CC=C2)Br D155585 [0,1,0,0,0,0|2,0,0]=3 287 B13R2.4818 C1=CC2=C(C(=C1)Br)C(=CC=C2)I B405214 [0,1,0,0,0,0|2,0,0]=3 288 B13R2.4818 C1=CC2=C(C(=C1)Br)C(=NC=C2)Cl B586716 [0,1,0,0,0,0|3,0,0]=4 289 B13R2.4818 C1=CC2=C(C(=C1)Br)C(=O)NC=C2 B184677 [0,1,0,0,0,0|2,0,1]=4 290 B13R2.4818 C1=CC2=C(C(=C1)I)C(=CC=C2)I D465160 [0,1,0,0,0,0|2,0,0]=3 291 B13R2.4818 C1=CC2=C(C(=C1)N)C(=CC=C2)Br B589695 [0,1,0,0,0,0|2,0,0]=3 292 B13R2.4818 C1=CC2=C(C(=C1)N)C(=CC=C2)Cl A589587 [0,1,0,0,0,0|2,0,0]=3 293 B13R2.4818 C1=CC2=C(C(=C1)N)C(=CC=C2)N D105921 [0,1,0,0,0,0|2,0,0]=3 294 B13R2.4818 C1=CC2=C(C(=C1)O)C(=CC=C2)O D139008 [0,1,0,0,0,0|1,0,0]=2 295 B13R2.4818 C1=CC2=C(C(=C1)O)[N+](=CC=C2)[O-] Q123637 [0,1,0,0,0,0|0,0,1]=2 296 B13R2.4818 C1=CC2=NC=CC(=C2C(=C1)Cl)Cl D192062 [0,1,0,0,0,0|3,0,0]=4 297 B13R2.4818 CC1=C2C(=CC=C1)C=CC=C2N M586942 [0,1,0,0,0,0|2,0,0]=3 298 B13R2.4818 CC1=C2C(=CC=C1)C=CC=[N+]2[O-] M487076 [0,1,0,0,0,0|1,0,1]=3 299 B13R2.4818 CC1=C2C(=CC=CC2=CC=C1)C D300347 [0,1,0,0,0,0|2,0,0]=3 300 B13R2.4818 CC1=NC=CC2=C1C(=CC=C2)F F400394 [0,1,0,0,0,0|3,0,0]=4 301 B13R2.5179 C1=C(C=NC2=C1N=CNC2=O)Br N139016 [0,1,0,0,0,0|2,0,1]=4 302 B13R2.5179 C1=CC2=C(C=C1Br)NC=CC2=O W133604 [0,1,0,0,0,0|2,0,1]=4 303 B13R2.5179 C1=CC2=C(C=C1Br)OC=CC2=O B167821 [0,1,0,0,0,0|2,0,1]=4 304 B13R2.5179 C1=CC2=C(C=C1Cl)NC=CC2=O C124656 [0,1,0,0,0,0|2,0,1]=4 305 B13R2.5179 C1=CC2=C(C=C1F)NC=CC2=O F170091 [0,1,0,0,0,0|2,0,1]=4 306 B13R2.5179 C1=CC2=C(C=C1F)OC=CC2=O F166159 [0,1,0,0,0,0|2,0,1]=4 307 B13R2.5179 C1=CC2=C(C=C1O)OC=CC2=O H171133 [0,1,0,0,0,0|2,0,1]=4 308 B13R2.5179 C1=CC2=C(C=CC(=C2)Br)C(=C1)O B590694 [0,1,0,0,0,0|1,0,0]=2 309 B13R2.5179 C1=CC2=C(C=CC(=C2)O)C(=C1)N A136056 [0,1,0,0,0,0|2,0,0]=3 310 B13R2.5179 C1=CC2=C(C=CC(=C2)O)C(=C1)O D154708 [0,1,0,0,0,0|1,0,0]=2 311 B13R2.5179 C1=CC2=C(C=CC(=N2)Cl)C(=C1)Cl D194107 [0,1,0,0,0,0|3,0,0]=4 312 B13R2.5179 C1=CC2=C(C=CC(=O)N2)C(=C1)O H192683 [0,1,0,0,0,0|2,0,0]=3 313 B13R2.5179 C1=CC2=C(C=CN=C2C=C1Br)Cl B136768 [0,1,0,0,0,0|3,0,0]=4 314 B13R2.5179 C1=CC2=C(C=CN=C2C=C1Cl)Br B196146 [0,1,0,0,0,0|3,0,0]=4 315 B13R2.5179 C1=CC2=C(C=CN=C2C=C1Cl)Cl D155356 [0,1,0,0,0,0|3,0,0]=4 316 B13R2.5179 C1=CC2=C(C=CN=C2C=C1Cl)I C469927 [0,1,0,0,0,0|3,0,0]=4 317 B13R2.5179 C1=CC2=C(C=CN=C2C=C1Cl)N A166386 [0,1,0,0,0,0|3,0,0]=4 318 B13R2.5179 C1=CC2=C(C=CN=C2Cl)C=C1Br B182635 [0,1,0,0,0,0|3,0,0]=4 319 B13R2.5179 C1=CC2=C(C=CN=C2Cl)C=C1Cl D589726 [0,1,0,0,0,0|3,0,0]=4 320 B13R2.5179 C1=CC2=C(C=CN=C2Cl)C=C1F C588123 [0,1,0,0,0,0|3,0,0]=4 321 B13R2.5179 C1=CC2=C(C=CNC2=O)C=C1Br B177538 [0,1,0,0,0,0|2,0,1]=4 322 B13R2.5179 C1=CC2=CC(=CN=C2C(=C1)N)Br B407399 [0,1,0,0,0,0|1,0,0]=2 323 B13R2.5179 C1CC(=O)NC2=C1C(=CC=C2)O H183551 [0,1,0,0,0,0|2,0,1]=4 324 B13R2.5179 CC1=C2C=CC(=CC2=NC=C1)Br B190848 [0,1,0,0,0,0|3,0,0]=4 325 B13R2.5179 CC1=CC2=C(C=C1)C(=O)C=CN2 M337111 [0,1,0,0,0,0|2,0,1]=4 326 B13R2.5179 CC1=CC2=CC=CC(=C2C=C1)C D171060 [0,1,0,0,0,0|2,0,0]=3 327 B13R2.5179 CC1=CC2=NC=CC(=C2C=C1)Cl C479278 [0,1,0,0,0,0|3,0,0]=4 328 B13R2.5179 CC1=NC2=CC=CC(=C2C=C1)N M193854 [0,1,0,0,0,0|3,0,0]=4 329 B11R1.16 C=CCC(C1=CC=CC=C1)O P160315 [0,0,1,0,0,0|1,0,2]=4 330 B11R1.16 C=COC(=O)C1=CC=CC=C1 V162943 [0,0,1,0,0,0|2,0,1]=4 331 B11R1.16 CC=CC(=O)C1=CC=CC=C1 P122944 [0,0,1,0,0,0|1,0,2]=4 332 B11R1.17 C1=CC=C(C(=C1)C=CC=O)Br E302788 [0,0,1,0,0,0|3,0,0]=4 333 B11R1.17 C1=CC=C(C(=C1)C=CC=O)O H157419 [0,0,1,0,0,0|2,0,0]=3 334 B11R1.17 CC1=CC=CC=C1OCC=C A354200 [0,0,1,0,0,0|2,0,1]=4 335 B11R1.24 CC1=CC(=CC=C1)C=CC=O E590785 [0,0,1,0,0,0|2,0,0]=3 336 B11R1.53 B(C1=CC=CC=C1C=C)(O)O V138269 [0,0,1,0,0,0|3,0,0]=4 337 B11R1.53 C1=CC=C(C(=C1)C=O)C(=O)O P160758 [0,0,1,0,0,0|3,0,0]=4 338 B11R1.53 COC1=C(N=CC=C1)C(=O)O M181926 [0,0,1,0,0,0|2,0,1]=4 339 B11R1.265 COC1=C(C=CC=C1O)C=O D304323 [0,0,1,0,0,0|2,0,1]=4 340 B13R3.1962 C1=CC=C2C3C=CC(C2=C1)O3 E122460 [0,0,0,1,0,0|1,0,2]=4 341 B11R2.1 C1=CC2=C(C(=CN2)Br)N=C1 B588326 [0,0,0,0,1,0|2,0,0]=3 342 B11R2.1 C1=CC2=C(N=C1)N(N=N2)O H109328 [0,0,0,0,1,0|3,0,0]=4 343 B11R2.1 C1=CC2=NC=C(N2N=C1)Br B151870 [0,0,0,0,1,0|3,0,0]=4 344 B11R2.1 C1=CC2=NNC(=C2N=C1)Br B176994 [0,0,0,0,1,0|3,0,0]=4 345 B11R2.1 C1=CC=C2C(=C1)C(=CO2)Br B194097 [0,0,0,0,1,0|3,0,0]=4 346 B11R2.1 C1=CC=C2C(=C1)C(=CS2)Br B189193 [0,0,0,0,1,0|3,0,0]=4 347 B11R2.1 C1=CN2C(=C(C=N2)Br)N=C1 B170959 [0,0,0,0,1,0|3,0,0]=4 348 B11R2.1 CC1=CNC2=CC=CC=C12 M426157 [0,0,0,0,1,0|3,0,0]=4 349 B11R2.1 CC1=CNC2=CC=CC=C12 S104736 [0,0,0,0,1,0|3,0,0]=4 350 B11R2.1 CC1=CSC2=CC=CC=C12 M101861 [0,0,0,0,1,0|3,0,0]=4 351 B11R2.1 CN1C=CC2=CC=CC=C21 M108007 [0,0,0,0,1,0|3,0,0]=4 352 B11R2.106 C1=CC(=C2C(=C1)NC=N2)N H184526 [0,0,0,0,1,0|2,0,0]=3 353 B11R2.106 C1=CC(=C2C(=C1)SC=N2)F F578842 [0,0,0,0,1,0|2,0,0]=3 354 B11R2.106 C1=CC(=C2C(=C1)SC=N2)O B590049 [0,0,0,0,1,0|1,0,0]=2 355 B11R2.106 C1=CC(=C2C=CNC2=C1)N A115486 [0,0,0,0,1,0|2,0,0]=3 356 B11R2.106 C1=CC2=C(C(=C1)Br)N=CN2 B186835 [0,0,0,0,1,0|2,0,0]=3 357 B11R2.106 C1=CC2=C(C(=C1)Br)NC=C2 B119150 [0,0,0,0,1,0|1,0,1]=3 358 B11R2.106 C1=CC2=C(C(=C1)Br)NN=C2 B122430 [0,0,0,0,1,0|2,0,1]=4 359 B11R2.106 C1=CC2=C(C(=C1)Br)OC=C2 B181230 [0,0,0,0,1,0|2,0,0]=3 360 B11R2.106 C1=CC2=C(C(=C1)Br)OC=N2 B195547 [0,0,0,0,1,0|3,0,0]=4 361 B11R2.106 C1=CC2=C(C(=C1)Br)SC=C2 B152829 [0,0,0,0,1,0|2,0,0]=3 362 B11R2.106 C1=CC2=C(C(=C1)Br)SC=N2 B590129 [0,0,0,0,1,0|3,0,0]=4 363 B11R2.106 C1=CC2=C(C(=C1)Cl)N=CS2 C183557 [0,0,0,0,1,0|2,0,0]=3 364 B11R2.106 C1=CC2=C(C(=C1)Cl)NC=C2 C119151 [0,0,0,0,1,0|1,0,1]=3 365 B11R2.106 C1=CC2=C(C(=C1)F)NC=C2 F111469 [0,0,0,0,1,0|1,0,1]=3 366 B11R2.106 C1=CC2=C(C(=C1)F)OC=C2 F588369 [0,0,0,0,1,0|2,0,0]=3 367 B11R2.106 C1=CC2=C(C(=C1)I)NN=C2 I178431 [0,0,0,0,1,0|2,0,1]=4 368 B11R2.106 C1=CC2=C(C(=C1)N)NC=C2 A103196 [0,0,0,0,1,0|1,0,1]=3 369 B11R2.106 C1=CC2=C(C(=C1)N)NN=C2 A135356 [0,0,0,0,1,0|2,0,1]=4 370 B11R2.106 C1=CC2=C(C(=C1)O)N=CN2 H404541 [0,0,0,0,1,0|1,0,0]=2 371 B11R2.106 C1=CC2=C(C=CN2)C(=C1)Br B111478 [0,0,0,0,1,0|2,0,0]=3 372 B11R2.106 C1=CC2=C(C=CN2)C(=C1)Cl C107955 [0,0,0,0,1,0|2,0,0]=3 373 B11R2.106 C1=CC2=C(C=CN2)C(=C1)F F111476 [0,0,0,0,1,0|2,0,0]=3 374 B11R2.106 C1=CC2=C(C=CN2)C(=C1)O H105121 [0,0,0,0,1,0|1,0,0]=2 375 B11R2.106 C1=CC2=C(C=CS2)C(=C1)Br B176654 [0,0,0,0,1,0|2,0,0]=3 376 B11R2.106 C1=CC2=C(C=NN2)C(=C1)Br B132684 [0,0,0,0,1,0|3,0,0]=4 377 B11R2.106 C1=CC2=C(C=NN2)C(=C1)Cl C166913 [0,0,0,0,1,0|3,0,0]=4 378 B11R2.106 C1=CC2=C(C=NN2)C(=C1)F F176182 [0,0,0,0,1,0|3,0,0]=4 379 B11R2.106 C1=CC2=CC=NN2C(=C1)Br B590529 [0,0,0,0,1,0|2,0,0]=3 380 B11R2.106 C1=CC2=NC=CN2C(=C1)Br B121864 [0,0,0,0,1,0|3,0,0]=4 381 B11R2.106 C1=CC2=NC=CN2C(=C1)N I177106 [0,0,0,0,1,0|3,0,0]=4 382 B11R2.106 C1=CC2=NNN=C2C(=C1)O H169156 [0,0,0,0,1,0|2,0,0]=3 383 B11R2.106 C1=CC2=NON=C2C(=C1)Cl C153435 [0,0,0,0,1,0|3,0,0]=4 384 B11R2.106 C1=CC2=NSN=C2C(=C1)Br B354486 [0,0,0,0,1,0|3,0,0]=4 385 B11R2.106 C1=CC2=NSN=C2C(=C1)N A151012 [0,0,0,0,1,0|3,0,0]=4 386 B11R2.106 C1=CN(C2=NC=CC2=C1)O A468619 [0,0,0,0,1,0|1,0,0]=2 387 B11R2.106 C1=CN(C2=NC=CC2=C1)O O176769 [0,0,0,0,1,0|1,0,0]=2 388 B11R2.106 C1=CN2C(=NC=N2)C(=C1)Br B177761 [0,0,0,0,1,0|3,0,0]=4 389 B11R2.106 C1=CN2C(=NC=N2)C(=C1)Cl C587218 [0,0,0,0,1,0|3,0,0]=4 390 B11R2.106 C1=CN2C=CN=C(C2=N1)Cl C177198 [0,0,0,0,1,0|3,0,0]=4 391 B11R2.106 C1=CN2C=CN=C2C(=C1)Br B186960 [0,0,0,0,1,0|2,0,0]=3 392 B11R2.106 C1=CN2C=CN=C2C(=C1)N I186303 [0,0,0,0,1,0|2,0,0]=3 393 B11R2.106 C1=CN2C=NN=C2C(=C1)Cl C184801 [0,0,0,0,1,0|3,0,0]=4 394 B11R2.106 C1=CN=C(C2=C1NC=N2)N H177164 [0,0,0,0,1,0|3,0,0]=4 395 B11R2.106 C1=CN=C(C2=C1OC=C2)Cl C183603 [0,0,0,0,1,0|3,0,0]=4 396 B11R2.106 C1=CN=C(C2=C1SC=C2)Cl C124450 [0,0,0,0,1,0|3,0,0]=4 397 B11R2.106 C1=CN=C2C(=C1Cl)C=CS2 C589683 [0,0,0,0,1,0|3,0,0]=4 398 B11R2.106 C1=CN=C2C=CSC2=C1Cl C177208 [0,0,0,0,1,0|3,0,0]=4 399 B11R2.106 C1=CNC(=O)C2=C1NC=N2 H588731 [0,0,0,0,1,0|2,0,1]=4 400 B11R2.106 C1=CNC(=O)C2=C1OC=C2 H175953 [0,0,0,0,1,0|2,0,1]=4 401 B11R2.106 C1=CNC2=C(C1=O)SC=C2 T132099 [0,0,0,0,1,0|2,0,1]=4 402 B11R2.106 C1=CNC2=C(C=CN=C21)Br B586535 [0,0,0,0,1,0|2,0,1]=4 403 B11R2.106 C1=CNC2=C1C(=O)C=CN2 H137025 [0,0,0,0,1,0|2,0,1]=4 404 B11R2.106 C1=CNC2=C1C=CN=C2Br B467147 [0,0,0,0,1,0|2,0,1]=4 405 B11R2.106 C1=CNC2=C1C=CN=C2Cl C122923 [0,0,0,0,1,0|2,0,1]=4 406 B11R2.106 C1=CNC2=NC=CC(=C21)Br B122933 [0,0,0,0,1,0|3,0,0]=4 407 B11R2.106 C1=CNC2=NC=CC(=C21)Cl C122894 [0,0,0,0,1,0|3,0,0]=4 408 B11R2.106 C1=CNC2=NC=CC(=C21)F F177031 [0,0,0,0,1,0|3,0,0]=4 409 B11R2.106 C1=CNC2=NC=CC(=C21)I I138668 [0,0,0,0,1,0|3,0,0]=4 410 B11R2.106 C1=CNC2=NC=CC(=C21)N D135283 [0,0,0,0,1,0|3,0,0]=4 411 B11R2.106 C1C=CC2=C1C(=CC=C2)Br B138348 [0,0,0,0,1,0|1,0,1]=3 412 B11R2.106 C1CC2=C(C1)C(=CC=C2)O I191362 [0,0,0,0,1,0|0,0,3]=4 413 B11R2.106 CC1=C2C(=CC=C1)C=CN2 M107954 [0,0,0,0,1,0|1,0,1]=3 414 B11R2.106 CC1=C2C(=CC=C1)C=NN2 M192694 [0,0,0,0,1,0|2,0,1]=4 415 B11R2.106 CC1=C2C=CNC2=CC=C1 M107956 [0,0,0,0,1,0|2,0,0]=3 416 B11R2.106 CC1=C2C=CNC2=NC=C1 M177530 [0,0,0,0,1,0|3,0,0]=4 417 B11R2.106 CC1=C2C=NNC2=CC=C1 M169525 [0,0,0,0,1,0|3,0,0]=4 418 B10R1.2 C1=CC(=C(C(=C1)O)Br)C=O B182471 [1,0,1,0,0,0|2,0,0]=4 419 B10R1.2 C1=CC(=C(C(=C1)O)Cl)C=O C193994 [1,0,1,0,0,0|2,0,0]=4 420 B10R1.2 C1=CC(=C(C(=C1)O)F)C=O F586213 [1,0,1,0,0,0|2,0,0]=4 421 B10R1.2 C1=CC(=C(C(=C1)O)O)C=O D122910 [1,0,1,0,0,0|2,0,0]=4 422 B10R1.4 C1=CC=C(C(=C1)C=NO)O S100325 [1,0,1,0,0,0|2,0,0]=4 423 B10R1.4 C=CCC1=CC=CC=C1Br A467291 [1,0,1,0,0,0|1,0,1]=4 424 B10R1.4 C=CCC1=CC=CC=C1N A151777 [1,0,1,0,0,0|0,0,2]=4 425 B10R1.4 C=CCC1=CC=CC=C1O A151090 [1,0,1,0,0,0|0,0,1]=3 426 B10R1.4 CC1=CC=CC=C1CC=C A167621 [1,0,1,0,0,0|1,0,1]=4 427 B10R1.10 CC1=CC(=CC=C1)CC=C A169645 [1,0,1,0,0,0|1,0,1]=4 428 B10R1.15 C=CC(=O)C1=CC=CC=C1 P304587 [1,0,1,0,0,0|1,0,1]=4 429 B10R1.15 C=CC(C1=CC=CC=C1)O V189138 [1,0,1,0,0,0|1,0,1]=4 430 B10R1.17 C1=CC(=CN=C1)C=CC=O T347360 [1,0,1,0,0,0|0,0,1]=3 431 B10R1.17 C1=CC=C(C=C1)C=CC#N C107581 [1,0,1,0,0,0|0,0,2]=4 432 B10R1.17 C1=CC=C(C=C1)C=CC=O C108630 [1,0,1,0,0,0|1,0,0]=3 433 B10R1.17 C1=CC=C(C=C1)C=CC=O C108631 [1,0,1,0,0,0|1,0,0]=3 434 B10R1.17 C1=CC=C(C=C1)C=CC=O C110083 [1,0,1,0,0,0|1,0,0]=3 435 B10R1.17 C1=CC=C(C=C1)C=CC=O C110084 [1,0,1,0,0,0|1,0,0]=3 436 B10R1.17 C1=CC=C(C=C1)C=CC=O T421609 [1,0,1,0,0,0|1,0,0]=3 437 B10R1.17 C1=CC=C(C=C1)C=CCBr B163067 [1,0,1,0,0,0|1,0,1]=4 438 B10R1.17 C1=CC=C(C=C1)C=CCCl C102165 [1,0,1,0,0,0|1,0,1]=4 439 B10R1.17 C1=CC=C(C=C1)C=CCO C110605 [1,0,1,0,0,0|1,0,1]=4 440 B10R1.17 C1=CC=C(C=C1)C=CCO C110606 [1,0,1,0,0,0|1,0,1]=4 441 B10R1.17 C1=CC=C(C=C1)C=CCO E303728 [1,0,1,0,0,0|1,0,1]=4 442 B10R1.17 C=CC=CC1=CC=CC=C1 P305147 [1,0,1,0,0,0|1,0,0]=3 443 B10R1.17 C=CCCC1=CC=CC=C1 P160313 [1,0,1,0,0,0|1,0,1]=4 444 B10R1.17 C=CCNC1=CC=CC=C1 N159240 [1,0,1,0,0,0|0,0,2]=4 445 B10R1.17 C=CCOC1=CC=CC=C1 A101096 [1,0,1,0,0,0|1,0,1]=4 446 B10R1.17 C=CCSC1=CC=CC=C1 A140290 [1,0,1,0,0,0|1,0,1]=4 447 B10R1.17 C=COCC1=CC=CC=C1 B178307 [1,0,1,0,0,0|2,0,0]=4 448 B10R1.20 C=CC1=CC=CC=C1C=C A109917 [1,0,1,0,0,0|1,0,0]=3 449 B10R1.20 C=CC1=CC=CC=C1C=C D103376 [1,0,1,0,0,0|1,0,0]=3 450 B10R1.20 C=CC1=CC=CC=C1C=C D103378 [1,0,1,0,0,0|1,0,0]=3 451 B10R1.20 C=CC1=CC=CC=C1C=C P434560 [1,0,1,0,0,0|1,0,0]=3 452 B10R1.20 CCC1=CC=CC=C1C=C D123847 [1,0,1,0,0,0|1,0,1]=4 453 B10R1.20 CCC1=CC=CC=C1C=C D123848 [1,0,1,0,0,0|1,0,1]=4 454 B10R1.20 CCC1=CC=CC=C1C=C D123850 [1,0,1,0,0,0|1,0,1]=4 455 B10R1.20 CCC1=CC=CC=C1C=C D123852 [1,0,1,0,0,0|1,0,1]=4 456 B10R1.20 CCC1=CC=CC=C1C=C D123854 [1,0,1,0,0,0|1,0,1]=4 457 B10R1.20 CCC1=CC=CC=C1C=C D123856 [1,0,1,0,0,0|1,0,1]=4 458 B10R1.20 CCC1=CC=CC=C1C=C D123857 [1,0,1,0,0,0|1,0,1]=4 459 B10R1.20 CCC1=CC=CC=C1C=C D492376 [1,0,1,0,0,0|1,0,1]=4 460 B10R1.61 C1=CC(=C(N=C1)C(=O)O)Br B176068 [1,0,1,0,0,0|2,0,0]=4 461 B10R1.61 C1=CC(=C(N=C1)C(=O)O)Cl C139011 [1,0,1,0,0,0|2,0,0]=4 462 B10R1.61 C1=CC(=C(N=C1)C(=O)O)F F132148 [1,0,1,0,0,0|2,0,0]=4 463 B10R1.61 C1=CC(=C(N=C1)C(=O)O)N A174297 [1,0,1,0,0,0|2,0,0]=4 464 B10R1.61 C1=CC(=C(N=C1)C(=O)O)O H137085 [1,0,1,0,0,0|2,0,0]=4 465 B10R1.61 C1=CC(=C(N=C1)C(=O)O)O H426608 [1,0,1,0,0,0|2,0,0]=4 466 B10R1.61 C1=CC(=C(N=C1)C(=O)O)O V275230 [1,0,1,0,0,0|2,0,0]=4 467 B10R1.61 CC1=C(N=CC=C1)C(=O)O M140254 [1,0,1,0,0,0|1,0,1]=4 468 B10R1.245 C1=CC(=C(C(=C1)Br)C=O)O B182965 [1,0,1,0,0,0|2,0,0]=4 469 B10R1.245 C1=CC(=C(C(=C1)Cl)C=O)O C124148 [1,0,1,0,0,0|2,0,0]=4 470 B10R1.245 C1=CC(=C(C(=C1)F)C=O)O F124153 [1,0,1,0,0,0|2,0,0]=4 471 B10R1.245 C1=CC(=C(C(=C1)O)C=O)O D193136 [1,0,1,0,0,0|2,0,0]=4 472 B10R1.245 C=CC1=C(C=CC=C1Cl)Cl D474285 [1,0,1,0,0,0|2,0,0]=4 473 B10R1.245 C=CC1=C(C=CC=C1F)F D475019 [1,0,1,0,0,0|2,0,0]=4 474 B12R1.121 COC1=CC=CC=C1C=CC=O M414411 [0,1,1,0,0,0|2,0,0]=4 475 B12R1.125 C1=CC=C(C(=C1)C=CC(=O)O)O H113425 [0,1,1,0,0,0|2,0,0]=4 476 B12R1.226 C1=CC(=CC(=C1)Br)C=CC(=O)O B101938 [0,1,1,0,0,0|2,0,0]=4 477 B12R1.226 C1=CC(=CC(=C1)Br)C=CC(=O)O T162205 [0,1,1,0,0,0|2,0,0]=4 478 B12R1.226 C1=CC(=CC(=C1)Cl)C=CC(=O)O C101735 [0,1,1,0,0,0|2,0,0]=4 479 B12R1.226 C1=CC(=CC(=C1)Cl)C=CC(=O)O C485689 [0,1,1,0,0,0|2,0,0]=4 480 B12R1.226 C1=CC(=CC(=C1)F)C=CC(=O)O F156726 [0,1,1,0,0,0|2,0,0]=4 481 B12R1.226 C1=CC(=CC(=C1)F)C=CC(=O)O I168436 [0,1,1,0,0,0|2,0,0]=4 482 B12R1.226 C1=CC(=CC(=C1)N)C=CC(=O)O E405645 [0,1,1,0,0,0|2,0,0]=4 483 B12R1.226 C1=CC(=CC(=C1)O)C=CC(=O)O H100569 [0,1,1,0,0,0|1,0,0]=3 484 B12R1.226 CC1=CC(=CC=C1)C=CC(=O)O M158083 [0,1,1,0,0,0|2,0,0]=4 485 B12R1.252 C1=CC=C(C=C1)C=CCC(=O)O I168223 [0,1,1,0,0,0|1,0,1]=4 486 B12R1.261 C1=CC(=C(N=C1)C(=O)O)C(=O)O P100814 [0,1,1,0,0,0|2,0,0]=4 487 B12R1.261 C1=CC(=C(N=C1)C(=O)O)C(=O)O P140270 [0,1,1,0,0,0|2,0,0]=4 488 B12R1.261 C1=CC(=C(N=C1)C(=O)O)C(=O)O P347087 [0,1,1,0,0,0|2,0,0]=4 489 B12R1.261 C1=CC(=C(N=C1)C(=O)O)C(=O)O P426696 [0,1,1,0,0,0|2,0,0]=4 490 B12R2.24 C1=CC(=CC2=C1C=CN=C2)Br B152696 [1,1,0,0,0,0|2,0,0]=4 491 B12R2.24 C1=CC(=CC2=C1C=CN=C2)O H136867 [1,1,0,0,0,0|2,0,0]=4 492 B12R2.24 C1=CC2=C(C=C(C=C2)Br)N=C1 B152697 [1,1,0,0,0,0|0,0,0]=2 493 B12R2.24 C1=CC2=C(C=C(C=C2)Cl)N=C1 C153507 [1,1,0,0,0,0|0,0,0]=2 494 B12R2.24 C1=CC2=C(C=C(C=C2)N)N=C1 A180566 [1,1,0,0,0,0|0,0,0]=2 495 B12R2.24 C1=CC2=C(C=C(C=C2)N)N=C1 A185350 [1,1,0,0,0,0|0,0,0]=2 496 B12R2.24 C1=CC2=C(C=C(C=C2)O)N=C1 H121631 [1,1,0,0,0,0|0,0,0]=2 497 B12R2.24 C1=CC2=C(C=C(C=N2)Br)N=C1 B182212 [1,1,0,0,0,0|1,0,0]=3 498 B12R2.24 C1=CC2=C(C=C(C=N2)I)N=C1 I166626 [1,1,0,0,0,0|1,0,0]=3 499 B12R2.24 C1=CC2=C(C=C(C=N2)N)N=C1 N167379 [1,1,0,0,0,0|1,0,0]=3 500 B12R2.24 C1=CC2=C(C=CC(=C2)Br)N=C1 B101593 [1,1,0,0,0,0|0,0,0]=2 501 B12R2.24 C1=CC2=C(C=CC(=C2)Cl)N=C1 C136969 [1,1,0,0,0,0|0,0,0]=2 502 B12R2.24 C1=CC2=C(C=CC(=C2)F)N=C1 F121640 [1,1,0,0,0,0|0,0,0]=2 503 B12R2.24 C1=CC2=C(C=CC(=C2)I)N=C1 I157528 [1,1,0,0,0,0|0,0,0]=2 504 B12R2.24 C1=CC2=C(C=CC(=C2)N)N=C1 A115315 [1,1,0,0,0,0|0,0,0]=2 505 B12R2.24 C1=CC2=C(C=CC(=C2)O)N=C1 H101596 [1,1,0,0,0,0|0,0,0]=2 506 B12R2.24 C1=CC2=C(C=CN=C2)C=C1Br B134936 [1,1,0,0,0,0|2,0,0]=4 507 B12R2.24 C1=CC2=C(C=CN=C2)C=C1Cl C407460 [1,1,0,0,0,0|2,0,0]=4 508 B12R2.24 C1=CC2=C(C=CN=C2)C=C1N I175855 [1,1,0,0,0,0|2,0,0]=4 509 B12R2.24 C1=CC2=CN=C(N=C2N=C1)Cl C586280 [1,1,0,0,0,0|2,0,0]=4 510 B12R2.24 C1=CC2=CN=CN=C2C=C1N Q586143 [1,1,0,0,0,0|1,0,0]=3 511 B12R2.24 C1=CC2=NC=CN=C2C=C1Br B123525 [1,1,0,0,0,0|1,0,0]=3 512 B12R2.24 C1=CC2=NC=CN=C2C=C1Cl C185120 [1,1,0,0,0,0|1,0,0]=3 513 B12R2.24 C1=CC2=NC=CN=C2C=C1F F181919 [1,1,0,0,0,0|1,0,0]=3 514 B12R2.24 C1=CC2=NC=CN=C2C=C1N A102246 [1,1,0,0,0,0|1,0,0]=3 515 B12R2.24 C1=CC2=NC=CN=C2C=C1O Q160827 [1,1,0,0,0,0|1,0,0]=3 516 B12R2.24 C1=CC=C2C(=C1)C=C(C=N2)Br B113800 [1,1,0,0,0,0|0,0,0]=2 517 B12R2.24 C1=CC=C2C(=C1)C=C(C=N2)Cl C185561 [1,1,0,0,0,0|0,0,0]=2 518 B12R2.24 C1=CC=C2C(=C1)C=C(C=N2)N A151247 [1,1,0,0,0,0|0,0,0]=2 519 B12R2.24 C1=CC=C2C(=C1)C=C(C=N2)O H102245 [1,1,0,0,0,0|0,0,0]=2 520 B12R2.24 C1=CC=C2C(=C1)C=CC(=N2)Br B123564 [1,1,0,0,0,0|0,0,0]=2 521 B12R2.24 C1=CC=C2C(=C1)C=CC(=N2)Cl C110279 [1,1,0,0,0,0|0,0,0]=2 522 B12R2.24 C1=CC=C2C(=C1)C=CC(=N2)N A136404 [1,1,0,0,0,0|0,0,0]=2 523 B12R2.24 C1=CC=C2C(=C1)C=CC(=O)N2 Q160822 [1,1,0,0,0,0|0,0,1]=3 524 B12R2.24 C1=CC=C2C(=C1)C=CC(=O)O2 C104161 [1,1,0,0,0,0|1,0,0]=3 525 B12R2.24 C1=CC=C2C(=C1)C=CC(=O)O2 C104165 [1,1,0,0,0,0|1,0,0]=3 526 B12R2.24 C1=CC=C2C(=C1)C=CC(=O)O2 C104166 [1,1,0,0,0,0|1,0,0]=3 527 B12R2.24 C1=CC=C2C(=C1)C=CC(=O)O2 C357823 [1,1,0,0,0,0|1,0,0]=3 528 B12R2.24 C1=CC=C2C(=C1)C=CC(=O)O2 C426918 [1,1,0,0,0,0|1,0,0]=3 529 B12R2.24 C1=CC=C2C(=C1)N=CC(=N2)Br B123033 [1,1,0,0,0,0|1,0,0]=3 530 B12R2.24 C1=CC=C2C(=C1)N=CC(=N2)Cl C132475 [1,1,0,0,0,0|1,0,0]=3 531 B12R2.24 C1=CC=C2C(=C1)NC(=O)C=N2 Q102233 [1,1,0,0,0,0|1,0,0]=3 532 B12R2.24 C1=CC=C2C=C(C=CC2=C1)Br B122362 [1,1,0,0,0,0|1,0,0]=3 533 B12R2.24 C1=CC=C2C=C(C=CC2=C1)Cl C304963 [1,1,0,0,0,0|1,0,0]=3 534 B12R2.24 C1=CC=C2C=C(C=CC2=C1)I I171169 [1,1,0,0,0,0|1,0,0]=3 535 B12R2.24 C1=CC=C2C=C(C=CC2=C1)N N113461 [1,1,0,0,0,0|1,0,0]=3 536 B12R2.24 C1=CC=C2C=C(C=CC2=C1)N N140874 [1,1,0,0,0,0|1,0,0]=3 537 B12R2.24 C1=CC=C2C=C(C=CC2=C1)O N108421 [1,1,0,0,0,0|1,0,0]=3 538 B12R2.24 C1=CC=C2C=C(C=CC2=C1)O N108422 [1,1,0,0,0,0|1,0,0]=3 539 B12R2.24 C1=CC=C2C=C(C=CC2=C1)O N108423 [1,1,0,0,0,0|1,0,0]=3 540 B12R2.24 C1=CC=C2C=C(C=CC2=C1)O N421336 [1,1,0,0,0,0|1,0,0]=3 541 B12R2.24 C1=CC=C2C=C(C=CC2=C1)S N101787 [1,1,0,0,0,0|1,0,0]=3 542 B12R2.24 C1=CC=C2C=C(C=CC2=C1)[NH3+] N493715 [1,1,0,0,0,0|1,0,0]=3 543 B12R2.24 C1=CC=C2C=NC(=CC2=C1)Cl C182458 [1,1,0,0,0,0|2,0,0]=4 544 B12R2.24 C1=CC=C2C=NC(=CC2=C1)N I135729 [1,1,0,0,0,0|2,0,0]=4 545 B12R2.24 C1=CC=C2C=[N+](C=CC2=C1)[O-] I167508 [1,1,0,0,0,0|2,0,0]=4 546 B12R2.24 C1=CN=C2C(=N1)C=C(C=N2)Br B184963 [1,1,0,0,0,0|2,0,0]=4 547 B12R2.24 CC1=CC2=C(C=C1)C=NC=C2 M184470 [1,1,0,0,0,0|2,0,0]=4 548 B12R2.24 CC1=CC2=C(C=C1)N=CC=C2 M109545 [1,1,0,0,0,0|0,0,0]=2 549 B12R2.24 CC1=CC2=C(C=CC=N2)C=C1 M110340 [1,1,0,0,0,0|0,0,0]=2 550 B12R2.24 CC1=CC2=CC=CC=C2C=C1 M104862 [1,1,0,0,0,0|1,0,0]=3 551 B12R2.24 CC1=CC2=CC=CC=C2C=C1 M119488 [1,1,0,0,0,0|1,0,0]=3 552 B12R2.24 CC1=CC2=CC=CC=C2C=N1 M165965 [1,1,0,0,0,0|2,0,0]=4 553 B12R2.24 CC1=CC2=CC=CC=C2N=C1 M103608 [1,1,0,0,0,0|0,0,0]=2 554 B12R2.24 CC1=CC2=NC=CN=C2C=C1 M185714 [1,1,0,0,0,0|1,0,0]=3 555 B12R2.24 CC1=NC2=C(C=C1)N=CC=C2 M177403 [1,1,0,0,0,0|1,0,0]=3 556 B12R2.24 CC1=NC2=C(C=CC=N2)C=C1 M138309 [1,1,0,0,0,0|1,0,0]=3 557 B12R2.24 CC1=NC2=CC=CC=C2C=C1 Q107985 [1,1,0,0,0,0|0,0,0]=2 558 B12R2.24 CC1=NC2=CC=CC=C2N=C1 M123517 [1,1,0,0,0,0|1,0,0]=3 559 B12R2.1 C1=CC=C2C(=C1)C(=CN2)CO I105220 [0,1,0,0,1,0|2,0,0]=4 560 B12R2.132 C1=CC(=NC2=C1SC=C2Br)Cl B178162 [0,1,0,0,1,0|2,0,0]=4 561 B12R2.612 C1=C(C=NC2=C1NC=C2I)Br B188679 [0,1,0,0,1,0|2,0,0]=4 562 B12R2.612 CN1C=CC2=CC(=CN=C21)Br B175236 [0,1,0,0,1,0|2,0,0]=4 563 B12R2.2028 C1=CC2=C(C(=O)NC2=O)N=C1 H193499 [0,1,0,0,1,0|1,0,1]=4 564 B12R2.2028 C1=CC2=C(C(=O)OC2=O)N=C1 P119980 [0,1,0,0,1,0|1,0,1]=4 565 B12R2.2028 CN1C=C(C2=C1N=CC=C2)Br B169243 [0,1,0,0,1,0|2,0,0]=4 566 B12R2.82 C1=CC(=C(C2=C1NC=C2)Br)Cl B586537 [0,1,0,0,1,0|2,0,0]=4 567 B12R2.82 C1=CC(=C(C2=C1NC=C2)Cl)Br B588162 [0,1,0,0,1,0|2,0,0]=4 568 B12R2.82 C1=CC(=C(C2=C1NC=C2)F)Br B176198 [0,1,0,0,1,0|2,0,0]=4 569 B12R2.82 C1=CC(=C(C2=C1NC=C2)F)F D588395 [0,1,0,0,1,0|2,0,0]=4 570 B12R2.82 CC1=C(C=CC2=C1NC=C2)Br B469990 [0,1,0,0,1,0|1,0,1]=4 571 B12R2.202 C1=CC(=C2C(=C1)SC(=N2)Cl)F C182260 [0,1,0,0,1,0|2,0,0]=4 572 B12R2.202 C1=CC(=C2C(=C1)SC(=N2)N)F A191942 [0,1,0,0,1,0|2,0,0]=4 573 B12R2.202 C1=CC(=C2C(=C1)SC(=N2)N)O A151222 [0,1,0,0,1,0|1,0,0]=3 574 B12R2.202 C1=CC2=C(C(=C1)Br)N=C(N2)N B586868 [0,1,0,0,1,0|2,0,0]=4 575 B12R2.202 C1=CC2=C(C(=C1)Br)N=C(S2)Cl C182261 [0,1,0,0,1,0|2,0,0]=4 576 B12R2.202 C1=CC2=C(C(=C1)Br)N=C(S2)N A182605 [0,1,0,0,1,0|2,0,0]=4 577 B12R2.202 C1=CC2=C(C(=C1)Cl)N=C(S2)Cl D184028 [0,1,0,0,1,0|2,0,0]=4 578 B12R2.202 C1=CC2=C(C(=C1)Cl)N=C(S2)N A151196 [0,1,0,0,1,0|2,0,0]=4 579 B12R2.202 CC1=C2C(=CC=C1)C=C(N2)C D589496 [0,1,0,0,1,0|1,0,1]=4 580 B12R2.202 CC1=C2C(=CC=C1)NC(=N2)C D588296 [0,1,0,0,1,0|2,0,0]=4 581 B12R2.202 CC1=C2C(=CC=C1)SC(=N2)C D193754 [0,1,0,0,1,0|2,0,0]=4 582 B12R2.202 CC1=C2C(=CC=C1)SC(=N2)Cl C192994 [0,1,0,0,1,0|2,0,0]=4 583 B12R2.202 CC1=C2C(=CC=C1)SC(=N2)N A119301 [0,1,0,0,1,0|2,0,0]=4 584 B12R2.221 C1=CC(=C2C(=C1Br)NC=N2)Br H302933 [0,1,0,0,1,0|2,0,0]=4 585 B12R2.221 C1=CC(=C2C(=C1Cl)C=CN2)Br B586876 [0,1,0,0,1,0|1,0,1]=4 586 B12R2.221 C1=CC(=C2C(=C1F)C=CN2)Br B124812 [0,1,0,0,1,0|1,0,1]=4 587 B12R2.221 CC1=CC=C(C2=NC=CN12)Br B344062 [0,1,0,0,1,0|2,0,0]=4 588 B12R2.246 C1=CN2C=C(C=C(C2=N1)Cl)Cl D469753 [0,1,0,0,1,0|2,0,0]=4 589 B12R2.246 C1=CN2C=C(C=C(C2=N1)F)Br B589209 [0,1,0,0,1,0|2,0,0]=4 590 B12R2.246 C1=CN2C=C(C=C(C2=N1)I)Br B480386 [0,1,0,0,1,0|2,0,0]=4 591 B12R2.246 C1=CNC2=C(C=C(C=C21)Br)Br D169902 [0,1,0,0,1,0|1,0,1]=4 592 B12R2.246 C1=CNC2=C(C=C(C=C21)Br)N A336371 [0,1,0,0,1,0|1,0,1]=4 593 B12R2.246 C1=CNC2=C(C=C(C=C21)F)F D176052 [0,1,0,0,1,0|1,0,1]=4 594 B12R2.246 C1=CNC2=CC(=CC(=C21)N)Cl C193389 [0,1,0,0,1,0|2,0,0]=4 595 B12R2.246 C1=COC2=C(C=C(C=C21)F)Br B356427 [0,1,0,0,1,0|2,0,0]=4 596 B12R2.246 CC1=CC(=CN2C1=NC=C2)Br B588157 [0,1,0,0,1,0|2,0,0]=4 597 B12R2.315 C1=CC(=C2C(=C1)NC=N2)C=O H174267 [0,1,0,0,1,0|1,0,1]=4 598 B12R2.315 C1=CC(=C2C=CNC2=C1)C#N C107982 [0,1,0,0,1,0|2,0,0]=4 599 B12R2.315 C1=CC(=C2C=CNC2=C1)C=O I119317 [0,1,0,0,1,0|1,0,1]=4 600 B12R2.315 C1=CC(=C2C=CNC2=C1)CN A169751 [0,1,0,0,1,0|2,0,0]=4 601 B12R2.315 C1=CC(=C2C=CNC2=C1)CO I179292 [0,1,0,0,1,0|1,0,0]=3 602 B12R2.315 C1=CC2=C(C(=C1)C=O)NC=C2 I122940 [0,1,0,0,1,0|0,0,2]=4 603 B12R2.315 C1=CC2=C(C(=C1)CO)NC=C2 H171908 [0,1,0,0,1,0|0,0,1]=3 604 B12R2.315 C1=CC2=CC=NN2C(=C1)C=O P169916 [0,1,0,0,1,0|1,0,1]=4 605 B12R2.315 CCC1=CC=CC2=C1NC=C2 E119113 [0,1,0,0,1,0|1,0,1]=4 606 B12R2.315 COC1=C2C(=CC=C1)SC=N2 M588648 [0,1,0,0,1,0|1,0,0]=3 607 B12R2.315 COC1=CC=CC2=C1C=CN2 M123499 [0,1,0,0,1,0|1,0,0]=3 608 B12R2.315 COC1=CC=CC2=C1NC=C2 M123430 [0,1,0,0,1,0|0,0,1]=3 609 B12R2.315 COC1=NC=CC2=C1C=CN2 M178417 [0,1,0,0,1,0|2,0,0]=4 610 B12R2.315 COC1=NC=CC2=C1NC=C2 M167672 [0,1,0,0,1,0|1,0,1]=4 611 B14R2.92 C1=CC=C2C(=C1)C=CC(=C2Br)C=O B151872 [0,2,0,0,0,0|2,0,0]=4 612 B14R2.92 C1=CC=C2C(=C1)C=CC(=C2Br)CBr B170002 [0,2,0,0,0,0|2,0,0]=4 613 B14R2.92 C1=CC=C2C(=C1)C=CC(=C2O)C=O H156877 [0,2,0,0,0,0|1,0,0]=3 614 B14R2.92 C1=CC=C2C(=C1)C=CC(=C2O)N=O N100987 [0,2,0,0,0,0|1,0,0]=3 615 B14R2.92 COC1=C(C2=C(C=CC=N2)C=C1)Br B407347 [0,2,0,0,0,0|1,0,0]=3 616 B14R2.92 COC1=C(C2=CC=CC=C2C=C1)Br B189114 [0,2,0,0,0,0|2,0,0]=4 617 B14R2.203 C1=CC=C2C(=C1)C=CC(=C2C=O)O H106363 [0,2,0,0,0,0|1,0,1]=4 618 B14R2.203 C1=CC=C2C(=C1)C=CC(=C2N=O)O N100734 [0,2,0,0,0,0|1,0,1]=4 619 B14R2.203 CC1=C(C2=CC=CC=C2C=C1)C=O M469126 [0,2,0,0,0,0|1,0,1]=4 620 B14R2.203 COC1=C(C=CC2=CC=CC=C21)Br B589676 [0,2,0,0,0,0|1,0,0]=3 621 B14R2.4513 C1=CC(=C(C2=C1C=CC(=O)O2)O)O D155111 [0,2,0,0,0,0|1,0,0]=3 622 B14R2.4513 OC1=CC=C2C=CC(=O)OC2=C1O D408432 [0,2,0,0,0,0|1,0,0]=3 623 B14R2.7724 C1=CC2=C(C(=C(C=C2Br)Br)O)N=C1 D123533 [0,2,0,0,0,0|0,0,0]=2 624 B14R2.7724 C1=CC2=C(C(=C(C=C2Br)Br)O)N=C1 D424470 [0,2,0,0,0,0|0,0,0]=2 625 B14R2.7724 C1=CC2=C(C(=C(C=C2Cl)Br)O)N=C1 B137360 [0,2,0,0,0,0|0,0,0]=2 626 B14R2.7724 C1=CC2=C(C(=C(C=C2Cl)Cl)O)N=C1 D121525 [0,2,0,0,0,0|0,0,0]=2 627 B14R2.7724 C1=CC2=C(C(=C(C=C2Cl)I)O)N=C1 C123531 [0,2,0,0,0,0|0,0,0]=2 628 B14R2.7724 C1=CC2=C(C(=C(C=C2Cl)I)O)N=C1 C421179 [0,2,0,0,0,0|0,0,0]=2 629 B14R2.7724 C1=CC2=C(C(=C(C=C2I)I)O)N=C1 D592266 [0,2,0,0,0,0|0,0,0]=2 630 B14R2.7724 C1=CC=C2C(=C1)C(=CC(=C2N)Br)Br D168361 [0,2,0,0,0,0|2,0,0]=4 631 B14R2.7724 C1=CC=C2C(=C1)C(=CC(=C2O)Br)Br D155557 [0,2,0,0,0,0|1,0,0]=3 632 B14R2.7724 C1=CC=C2C(=C1)C(=CC(=O)C2=O)O H121701 [0,2,0,0,0,0|1,0,0]=3 633 B14R2.7724 C1=CC=C2C(=C1)C(=CC(=O)C2=O)O H426171 [0,2,0,0,0,0|1,0,0]=3 634 B14R2.7724 C1=CC=C2C(=C1)C(=O)C=C(C2=O)Cl C154067 [0,2,0,0,0,0|1,0,1]=4 635 B14R2.7724 CC1=CC(=O)C2=CC=CC=C2C1=O M104151 [0,2,0,0,0,0|1,0,1]=4 636 B14R2.7724 CC1=CC(=O)C2=CC=CC=C2C1=O M104154 [0,2,0,0,0,0|1,0,1]=4 637 B14R2.7724 CC1=CC(=O)C2=CC=CC=C2C1=O M408896 [0,2,0,0,0,0|1,0,1]=4 638 B14R2.7724 CN1C2=CC=CC=C2C(=CC1=O)O H157242 [0,2,0,0,0,0|2,0,0]=4 639 B14R2.7724 OC1=C(Cl)C=C(Cl)C2=C1N=CC=C2 C408824 [0,2,0,0,0,0|0,0,0]=2 640 B14R2.8038 C1=CC(=C(C2=C1C(=O)C=CN2)F)F D166105 [0,2,0,0,0,0|1,0,1]=4 641 B14R2.8038 C1=CC(=C(C2=NC=CC(=C21)Cl)Cl)Cl T168025 [0,2,0,0,0,0|1,0,0]=3 642 B14R2.8038 C1=CC2=C(C(=C1)Br)NC=C(C2=O)Br D166495 [0,2,0,0,0,0|1,0,1]=4 643 B14R2.8038 C1=CC2=C(C(=C1)F)NC=C(C2=O)Br B165704 [0,2,0,0,0,0|1,0,1]=4 644 B14R2.8038 CC1=C(C2=C(C=C1)C(=O)C=CN2)C D168003 [0,2,0,0,0,0|1,0,1]=4 645 B14R2.8038 CC1=C(C=CC2=C(C=CN=C12)Cl)Br B166312 [0,2,0,0,0,0|1,0,0]=3 646 B14R2.8038 CC1=C(C=CC2=C(C=CN=C12)Cl)Cl D185769 [0,2,0,0,0,0|1,0,0]=3 647 B14R2.29369 C1=CC2=C(C=CC(=C2Br)O)C=C1Br D155556 [0,2,0,0,0,0|2,0,0]=4 648 B14R2.142 C1=CC2=C(C(=C1)Cl)N=C(C=C2)C=O C344855 [0,2,0,0,0,0|1,0,0]=3 649 B14R2.142 C1=CC2=C(C(=C1)F)N=C(C=C2)C=O F343983 [0,2,0,0,0,0|1,0,0]=3 650 B14R2.142 C1=CC2=C(C(=C1)O)N=C(C=C2)C#N H465330 [0,2,0,0,0,0|0,0,0]=2 651 B14R2.142 C1=CC2=C(C(=C1)O)N=C(C=C2)C=O W132390 [0,2,0,0,0,0|0,0,0]=2 652 B14R2.8045 C1=CC2=C(C(=C1)Br)N=C(N=C2Cl)Cl B183757 [0,2,0,0,0,0|2,0,0]=4 653 B14R2.8045 C1=CN=C2C(=CC(=CC2=C1Cl)F)F C168917 [0,2,0,0,0,0|1,0,0]=3 654 B14R2.8045 C1=CN=C2C(=CC(=CC2=C1N)Cl)Cl A480630 [0,2,0,0,0,0|1,0,0]=3 655 B14R2.8045 C1=CNC2=C(C1=O)C=C(C=C2Cl)Cl H171076 [0,2,0,0,0,0|1,0,1]=4 656 B14R2.8045 CC1=C2C(=CC=C1)C(=CC(=N2)C)Cl C478958 [0,2,0,0,0,0|1,0,0]=3 657 B14R2.8045 CC1=C2C(=CC=C1)C(=CC(=N2)C)N A479134 [0,2,0,0,0,0|1,0,0]=3 658 B14R2.8045 CC1=C2C(=CC=C1)C(=NC(=N2)Cl)Cl D293867 [0,2,0,0,0,0|2,0,0]=4 659 B14R2.8045 CC1=C2C(=CC=C1)C(=O)C=C(N2)C D181768 [0,2,0,0,0,0|1,0,1]=4 660 B14R2.8045 CC1=C2C=C(C=C(C2=NC=C1)C)C T162271 [0,2,0,0,0,0|1,0,0]=3 661 B14R2.8045 CC1=CC(=C2C(=C1)C(=O)C=CN2)C D168391 [0,2,0,0,0,0|1,0,1]=4 662 B14R2.8045 CC1=CC(=C2C=CC=C(C2=N1)Br)Br D165722 [0,2,0,0,0,0|1,0,0]=3 663 B14R2.8045 CC1=CC(=C2C=CC=C(C2=N1)Br)Cl B166398 [0,2,0,0,0,0|1,0,0]=3 664 B14R2.8045 CC1=CC(=C2C=CC=C(C2=N1)Br)N A169284 [0,2,0,0,0,0|1,0,0]=3 665 B14R2.8045 CC1=CC(=C2C=CC=C(C2=N1)F)N F169282 [0,2,0,0,0,0|1,0,0]=3 666 B14R2.8045 CC1=CC(=CC2=C(C=CN=C12)Cl)Br B337922 [0,2,0,0,0,0|1,0,0]=3 667 B14R2.8045 CC1=CC(=CC2=C1NC=CC2=O)Cl C168388 [0,2,0,0,0,0|1,0,1]=4 668 B14R2.8045 CC1=CC(=O)C2=C(N1)C(=CC=C2)Br B166399 [0,2,0,0,0,0|1,0,1]=4 669 B14R2.8045 CC1=CC(=O)C2=C(N1)C(=CC=C2)F F170808 [0,2,0,0,0,0|1,0,1]=4 670 B14R2.8045 CC1=CC2=C(C(=C1)Cl)NC=CC2=O C344518 [0,2,0,0,0,0|1,0,1]=4 671 B14R2.8045 CC1=CC2=C(C=CN=C2C(=C1)Br)Cl B166143 [0,2,0,0,0,0|1,0,0]=3 672 B14R2.8045 CC1=CC2=C(C=CN=C2C(=C1)C)Cl C168296 [0,2,0,0,0,0|1,0,0]=3 673 B14R2.8045 CC1=NC2=C(C=CC=C2O)C(=O)N1 H136756 [0,2,0,0,0,0|1,0,0]=3 674 B14R2.8235 C1=CC2=C(C=C1Br)C(=CC(=O)N2)O B193864 [0,2,0,0,0,0|2,0,0]=4 675 B14R2.8235 C1=CC2=C(C=C1Br)C(=CC(=O)N2)O B588247 [0,2,0,0,0,0|2,0,0]=4 676 B14R2.8235 C1=CC2=C(C=C1Br)C(=CC(=O)O2)O B170240 [0,2,0,0,0,0|2,0,0]=4 677 B14R2.8235 C1=CC2=C(C=C1Cl)C(=CC(=O)O2)O C153982 [0,2,0,0,0,0|2,0,0]=4 678 B14R2.8235 C1=CC2=C(C=C1F)C(=CC(=O)O2)O F156587 [0,2,0,0,0,0|2,0,0]=4 679 B14R2.8235 CC1=CC2=C(C=C1)OC(=O)C=C2O H156926 [0,2,0,0,0,0|2,0,0]=4 680 B14R2.8751 CC1=CC2=C(C=C1)C(=O)C=CC2=O M355743 [0,2,0,0,0,0|1,0,1]=4 681 B14R2.11684 CC1=NC2=C(C=CC=C2OC)C=C1 M158106 [0,2,0,0,0,0|0,0,0]=2 682 B14R2.11684 CCC1=CC=CC2=C1N=C(C=C2)C E344839 [0,2,0,0,0,0|1,0,0]=3 683 B14R2.11684 COC1=CC=CC2=CN=C(C=C21)Cl C587613 [0,2,0,0,0,0|2,0,0]=4 684 B14R2.1019 COC1=CC(=C2C(=C1)C=CC=N2)Cl C407404 [0,2,0,0,0,0|1,0,0]=3 685 B14R2.1019 COC1=CC(=C2C(=C1)C=CC=N2)N A188001 [0,2,0,0,0,0|1,0,0]=3 686 B14R2.1019 COC1=CC(=C2C(=C1)C=CC=N2)N A469070 [0,2,0,0,0,0|1,0,0]=3 687 B14R2.1019 COC1=CC2=CC=CC=C2C(=C1)Br B589314 [0,2,0,0,0,0|2,0,0]=4 688 B14R2.1146 COC1=NC(=CC2=CC=CC=C21)Cl C468993 [0,2,0,0,0,0|2,0,0]=4 689 B14R2.28480 C1=COC2=CC(=CC(=C2C1=O)O)O D420023 [0,2,0,0,0,0|2,0,0]=4 690 B14R2.29365 C1=CC(=O)OC2=CC(=CC(=C21)O)O D192466 [0,2,0,0,0,0|2,0,0]=4 691 B14R2.29365 C1=CC2=C(C=C1Br)OC(=O)C=C2O B486814 [0,2,0,0,0,0|2,0,0]=4 692 B14R2.29365 C1=CC2=C(C=C1F)OC(=O)C=C2O F486887 [0,2,0,0,0,0|2,0,0]=4 693 B14R2.29365 C1=CC2=C(C=C1O)OC(=O)C=C2O D404194 [0,2,0,0,0,0|2,0,0]=4 694 B14R2.29365 CC1=CC2=C(C=C1)C(=CC(=O)O2)O H305265 [0,2,0,0,0,0|2,0,0]=4 695 B14R2.1078 COC1=CC=CC2=C(C=CN=C21)Br W132340 [0,2,0,0,0,0|0,0,0]=2 696 B14R2.1078 COC1=CC=CC2=C(C=CN=C21)Cl C478740 [0,2,0,0,0,0|0,0,0]=2 697 B14R2.1078 COC1=CC=CC2=C1NC=CC2=O H182755 [0,2,0,0,0,0|0,0,1]=3 698 B14R2.8051 C1=CC2=C(C(=O)C=CC2=O)C(=C1)O H136625 [0,2,0,0,0,0|1,0,0]=3 699 B14R2.8051 C1=CC2=C(C(=O)C=CC2=O)C(=C1)O H424179 [0,2,0,0,0,0|1,0,0]=3 700 B14R2.1131 C1=CC2=C(C=CC(=C2N=C1)O)C=O H478893 [0,2,0,0,0,0|0,0,0]=2 701 B14R2.1131 C1=CC2=C(C=CC(=C2N=C1)O)N=O N136164 [0,2,0,0,0,0|0,0,0]=2 702 B14R2.1131 C1=CC=C2C(=C1)C(=CC=C2Br)CBr B186678 [0,2,0,0,0,0|2,0,0]=4 703 B14R2.1131 C1=CC=C2C(=C1)C(=CC=C2N)C#N A350356 [0,2,0,0,0,0|2,0,0]=4 704 B14R2.1131 C1=CC=C2C(=C1)C(=CC=C2O)C=O H472630 [0,2,0,0,0,0|1,0,0]=3 705 B14R2.1131 CC1=CC=C(C2=CC=CC=C12)C#N C300819 [0,2,0,0,0,0|2,0,0]=4 706 B14R2.1131 CC1=CC=C(C2=CC=CC=C12)C=O M300775 [0,2,0,0,0,0|1,0,1]=4 707 B14R2.1131 CC1=CC=C(C2=CC=CC=C12)OC M404677 [0,2,0,0,0,0|1,0,0]=3 708 B14R2.1131 COC1=C2C(=C(C=C1)F)C=CC=N2 F404465 [0,2,0,0,0,0|0,0,0]=2 709 B14R2.1131 COC1=C2C=CC=NC2=C(C=C1)N M192632 [0,2,0,0,0,0|1,0,0]=3 710 B14R2.1131 COC1=CC=C(C2=CC=CC=C21)Br B405449 [0,2,0,0,0,0|1,0,0]=3 711 B14R2.1131 COC1=CC=C(C2=CC=CC=C21)N M590741 [0,2,0,0,0,0|1,0,0]=3 712 B14R2.1131 COC1=CC=C(C2=CC=CC=C21)O M158049 [0,2,0,0,0,0|1,0,0]=3 713 B14R2.1131 COC1=NC=C(C2=CC=CC=C21)Br B186391 [0,2,0,0,0,0|2,0,0]=4 714 B14R2.1073 COC1=C2C=CC(=CC2=NC=C1)Br B586292 [0,2,0,0,0,0|2,0,0]=4 715 B14R2.7150 C1=CC=C2C(=C1)C=CC=C2CC#N N158914 [0,2,0,0,0,0|2,0,0]=4 716 B14R2.7150 C1=CC=C2C(=C1)C=CC=C2CCBr B167109 [0,2,0,0,0,0|2,0,0]=4 717 B14R2.7150 C1=CC=C2C(=C1)C=CC=C2CCCl N135133 [0,2,0,0,0,0|2,0,0]=4 718 B14R2.7150 C1=CC=C2C(=C1)C=CC=C2CCO N136877 [0,2,0,0,0,0|1,0,0]=3 719 B14R2.7150 C1=CC=C2C(=C1)C=CC=C2N=C=O N159793 [0,2,0,0,0,0|1,0,1]=4 720 B14R2.7150 C1=CC=C2C(=C1)C=CC=C2N=C=S N106389 [0,2,0,0,0,0|1,1,0]=4 721 B14R2.7150 C1=CC=C2C(=C1)C=CC=C2N=C=S N137779 [0,2,0,0,0,0|1,1,0]=4 722 B14R2.7150 C1=CC=C2C(=C1)C=CC=C2NC=O N159410 [0,2,0,0,0,0|1,0,1]=4 723 B14R2.7150 C=CCC1=CC=CC2=CC=CC=C21 A133081 [0,2,0,0,0,0|2,0,0]=4 724 B14R2.7150 CCNC1=CC=CC2=CC=CC=C21 N159293 [0,2,0,0,0,0|2,0,0]=4 725 B14R2.7150 CCNC1=CC=CC2=CC=CC=C21 N334192 [0,2,0,0,0,0|2,0,0]=4 726 B14R2.7150 CCOC1=CC=CC2=CC=CC=C21 E156095 [0,2,0,0,0,0|1,0,0]=3 727 B14R2.7150 CNCC1=CC=CC2=CC=CC=C21 M114375 [0,2,0,0,0,0|2,0,0]=4 728 B14R2.7150 CNCC1=CC=CC2=CC=CC=C21 N119591 [0,2,0,0,0,0|2,0,0]=4 729 B14R2.31359 B(C1=C2C(=CC=C1)C=CC=N2)(O)O Q123563 [0,2,0,0,0,0|0,0,0]=2 730 B14R2.31359 B(C1=C2C=CC=NC2=CC=C1)(O)O Q123557 [0,2,0,0,0,0|2,0,0]=4 731 B14R2.31359 B(C1=C2C=CN=CC2=CC=C1)(O)O I184084 [0,2,0,0,0,0|2,0,0]=4 732 B14R2.31359 B(C1=CC=CC2=CC=CC=C12)(O)O N106400 [0,2,0,0,0,0|1,0,0]=3 733 B14R2.31359 B(C1=CC=CC2=CC=CC=C12)(O)O N396120 [0,2,0,0,0,0|1,0,0]=3 734 B14R2.31359 B(C1=CC=NC2=CC=CC=C12)(O)O Q193041 [0,2,0,0,0,0|2,0,0]=4 735 B14R2.31359 B(C1=CN=CC2=CC=CC=C12)(O)O I100784 [0,2,0,0,0,0|2,0,0]=4 736 B14R2.31359 B(C1=CN=CC2=CC=CC=C12)(O)O I120135 [0,2,0,0,0,0|2,0,0]=4 737 B14R2.31359 C1=CC(=C2C=CC=NC2=C1)C(=O)O Q113504 [0,2,0,0,0,0|2,0,0]=4 738 B14R2.31359 C1=CC2=C(C(=C1)C(=O)O)N=CC=C2 Q123569 [0,2,0,0,0,0|0,0,0]=2 739 B14R2.31359 C1=CC2=C(C(=C1)[N+](=O)[O-])N=CC=C2 N122691 [0,2,0,0,0,0|0,0,1]=3 740 B14R2.31359 C1=CC2=C(C=CN=C2)C(=C1)C(=O)O I124463 [0,2,0,0,0,0|2,0,0]=4 741 B14R2.31359 C1=CC=C2C(=C1)C(=CC=N2)C(=O)O Q123917 [0,2,0,0,0,0|2,0,0]=4 742 B14R2.31359 C1=CC=C2C(=C1)C=CC=C2C(=O)Cl N101692 [0,2,0,0,0,0|1,0,1]=4 743 B14R2.31359 C1=CC=C2C(=C1)C=CC=C2C(=O)O N106387 [0,2,0,0,0,0|1,0,0]=3 744 B14R2.31359 C1=CC=C2C(=C1)C=CC=C2C(F)F D589394 [0,2,0,0,0,0|2,0,0]=4 745 B14R2.31359 C1=CC=C2C(=C1)C=CC=C2[N+](=O)[O-] N100999 [0,2,0,0,0,0|1,0,1]=4 746 B14R2.31359 C1=CC=C2C(=C1)C=CC=C2[N+](=O)[O-] N101000 [0,2,0,0,0,0|1,0,1]=4 747 B14R2.31359 C1=CC=C2C(=C1)C=CN=C2C(=O)O I111156 [0,2,0,0,0,0|2,0,0]=4 748 B14R2.31359 CC(=O)C1=CC=CC2=CC=CC=C21 A105215 [0,2,0,0,0,0|1,0,1]=4 749 B14R2.31359 CC(C)C1=CC=CC2=CC=CC=C21 I157620 [0,2,0,0,0,0|2,0,0]=4 750 B14R2.31359 CC(C1=CC=CC2=CC=CC=C21)N M117174 [0,2,0,0,0,0|2,0,0]=4 751 B14R2.31359 CC(C1=CC=CC2=CC=CC=C21)N N122375 [0,2,0,0,0,0|2,0,0]=4 752 B14R2.31359 CC(C1=CC=CC2=CC=CC=C21)N R469712 [0,2,0,0,0,0|2,0,0]=4 753 B14R2.31359 CC(C1=CC=CC2=CC=CC=C21)N S161209 [0,2,0,0,0,0|2,0,0]=4 754 B14R2.31359 CC(C1=CC=CC2=CC=CC=C21)O I134969 [0,2,0,0,0,0|1,0,0]=3 755 B14R2.31359 CC(C1=CC=CC2=CC=CC=C21)O N158972 [0,2,0,0,0,0|1,0,0]=3 756 B14R2.31359 CC(C1=CC=CC2=CC=CC=C21)O S132786 [0,2,0,0,0,0|1,0,0]=3 757 B14R2.31359 CN(C)C1=CC=CC2=CC=CC=C21 N159179 [0,2,0,0,0,0|2,0,0]=4 758 B12R2.2 C1=CC=C(C=C1)C2=CC=CN2 P588646 [0,0,1,1,0,0|2,0,0]=4 759 B12R2.2 C1=CC=C(C=C1)C2=CC=CS2 P123203 [0,0,1,1,0,0|1,1,0]=4 760 B12R2.2 C1=CC=C(C=C1)C2=CC=NO2 P160176 [0,0,1,1,0,0|2,0,0]=4 761 B12R2.2 C1=CC=NC(=C1)C2=CC=CN2 H587650 [0,0,1,1,0,0|1,0,0]=3 762 B12R2.2 C1=CC=NC(=C1)C2=CC=CS2 T133377 [0,0,1,1,0,0|0,1,0]=3 763 B12R2.2 C1=CC=NC(=C1)C2=CC=NN2 H136864 [0,0,1,1,0,0|2,0,0]=4 764 B12R2.2 C1=CC=NC(=C1)C2=CSC=C2 T132077 [0,0,1,1,0,0|2,0,0]=4 765 B12R2.2 C1=CC=NC(=C1)C2=NC=CN2 I132038 [0,0,1,1,0,0|2,0,0]=4 766 B12R2.2 C1=CC=NC(=C1)N2C=CC=N2 P160634 [0,0,1,1,0,0|2,0,0]=4 767 B12R2.32 C1=CC=C2C(=C1)C=C(O2)C=O B469207 [0,0,1,1,0,0|2,0,0]=4 768 B12R2.32 C1=CC=C2C(=C1)N=C(O2)CCl C184408 [0,0,1,1,0,0|1,0,1]=4 769 B12R2.32 C1=CC=C2C(=C1)N=C(S2)C=O B134105 [0,0,1,1,0,0|1,1,0]=4 770 B12R2.32 CSC1=NC2=CC=CC=C2O1 M157959 [0,0,1,1,0,0|1,0,1]=4 771 B12R2.1041 C1=CC=C2C=C(C=C2C=C1)N A193621 [0,0,1,1,0,0|2,0,0]=4 772 B14R3.164 C1=CC2=C3C(=C1)C=CC3=CC=C2 A112968 [0,1,0,1,0,0|2,0,0]=4 773 B14R3.164 C1=CC2=C3C(=C1)C=CC3=CC=C2 A118667 [0,1,0,1,0,0|2,0,0]=4 774 B14R3.164 C1=CC2=C3C(=C1)C=CC3=CC=C2 A141131 [0,1,0,1,0,0|2,0,0]=4 775 B14R3.164 C1=CC2=C3C(=C1)C=CC3=CC=C2 A301739 [0,1,0,1,0,0|2,0,0]=4 776 B14R3.164 C1CC2=CC=CC3=C2C1=CC=C3 A105203 [0,1,0,1,0,0|2,0,0]=4 777 B14R3.164 C1CC2=CC=CC3=C2C1=CC=C3 A105205 [0,1,0,1,0,0|2,0,0]=4 778 B14R3.164 C1CC2=CC=CC3=C2C1=CC=C3 A105207 [0,1,0,1,0,0|2,0,0]=4 779 B10R2.7 C1=CC2=C(C=CN2)N=C1 H135749 [1,0,0,0,1,0|1,0,0]=3 780 B10R2.7 C1=CC2=C(C=NN2)N=C1 I169192 [1,0,0,0,1,0|2,0,0]=4 781 B10R2.7 C1=CC2=C(N=C1)N=CN2 A113516 [1,0,0,0,1,0|2,0,0]=4 782 B10R2.7 C1=CC2=C(NC=C2)N=C1 A124841 [1,0,0,0,1,0|1,0,0]=3 783 B10R2.7 C1=CC2=C(NN=C2)N=C1 P123108 [1,0,0,0,1,0|2,0,0]=4 784 B10R2.7 C1=CC2=CC=NN2C=C1 P588518 [1,0,0,0,1,0|1,0,0]=3 785 B10R2.7 C1=CC2=CN=CN2C=C1 I157599 [1,0,0,0,1,0|2,0,0]=4 786 B10R2.7 C1=CC2=CON=C2C=C1 A151655 [1,0,0,0,1,0|1,0,0]=3 787 B10R2.7 C1=CC2=NC=CN2C=C1 I124710 [1,0,0,0,1,0|1,0,0]=3 788 B10R2.7 C1=CC2=NC=CN2N=C1 I124056 [1,0,0,0,1,0|2,0,0]=4 789 B10R2.7 C1=CC2=NC=NN2C=C1 T169203 [1,0,0,0,1,0|2,0,0]=4 790 B10R2.7 C1=CC2=NN=CN2C=C1 T192477 [1,0,0,0,1,0|2,0,0]=4 791 B10R2.7 C1=CC2=NNN=C2C=C1 B101002 [1,0,0,0,1,0|2,0,0]=4 792 B10R2.7 C1=CC2=NNN=C2C=C1 B101003 [1,0,0,0,1,0|2,0,0]=4 793 B10R2.7 C1=CC2=NON=C2C=C1 B135418 [1,0,0,0,1,0|2,0,0]=4 794 B10R2.7 C1=CC2=NSN=C2C=C1 B120063 [1,0,0,0,1,0|2,0,0]=4 795 B10R2.7 C1=CC2=N[Se]N=C2C=C1 B152832 [1,0,0,0,1,0|2,0,0]=4 796 B10R2.7 C1=CC=C2C(=C1)C=CN2 I104724 [1,0,0,0,1,0|0,0,1]=3 797 B10R2.7 C1=CC=C2C(=C1)C=CN2 I104725 [1,0,0,0,1,0|0,0,1]=3 798 B10R2.7 C1=CC=C2C(=C1)C=CN2 I104726 [1,0,0,0,1,0|0,0,1]=3 799 B10R2.7 C1=CC=C2C(=C1)C=CN2 I104728 [1,0,0,0,1,0|0,0,1]=3 800 B10R2.7 C1=CC=C2C(=C1)C=CN2 I420909 [1,0,0,0,1,0|0,0,1]=3 801 B10R2.7 C1=CC=C2C(=C1)C=CO2 B107470 [1,0,0,0,1,0|1,0,0]=3 802 B10R2.7 C1=CC=C2C(=C1)C=CS2 B107023 [1,0,0,0,1,0|1,0,0]=3 803 B10R2.7 C1=CC=C2C(=C1)C=NN2 I157585 [1,0,0,0,1,0|1,0,1]=4 804 B10R2.7 C1=CC=C2C(=C1)C=NO2 B151955 [1,0,0,0,1,0|2,0,0]=4 805 B10R2.7 C1=CC=C2C(=C1)N=CO2 B152628 [1,0,0,0,1,0|1,0,0]=3 806 B10R2.7 C1=CC=C2C(=C1)N=CS2 B104851 [1,0,0,0,1,0|1,0,0]=3 807 B10R2.7 C1=CC=C2C(=C1)N=CS2 B104852 [1,0,0,0,1,0|1,0,0]=3 808 B10R2.7 C1=CC=C2C(=C1)N=CS2 B104854 [1,0,0,0,1,0|1,0,0]=3 809 B10R2.7 C1=CC=C2C(=C1)N=NS2 B491199 [1,0,0,0,1,0|2,0,0]=4 810 B10R2.7 C1=CC=C2C(=C1)NC=N2 B106095 [1,0,0,0,1,0|1,0,0]=3 811 B10R2.7 C1=CN2C=CN=C2C=N1 I169202 [1,0,0,0,1,0|2,0,0]=4 812 B10R2.7 C1=CN2C=CN=C2N=C1 I138600 [1,0,0,0,1,0|2,0,0]=4 813 B10R2.7 C1=CN=CC2=C1N=CN2 H175962 [1,0,0,0,1,0|2,0,0]=4 814 B10R2.7 C1=CNC2=C1C=CN=C2 A140209 [1,0,0,0,1,0|1,0,1]=4 815 B10R2.7 C1=CNC2=C1C=NC=C2 P120087 [1,0,0,0,1,0|1,0,1]=4 816 B10R2.7 C1=CNC2=NC=CN=C21 H176557 [1,0,0,0,1,0|2,0,0]=4 817 B10R2.7 C1=CNC2=NC=NC=C21 P120450 [1,0,0,0,1,0|2,0,0]=4 818 B10R2.7 C1C=CC2=CC=CC=C21 I105567 [1,0,0,0,1,0|0,0,1]=3 819 B10R2.7 C1C=CC2=CC=CC=C21 I105568 [1,0,0,0,1,0|0,0,1]=3 820 B10R2.7 C1C=CC2=CC=CC=C21 I105569 [1,0,0,0,1,0|0,0,1]=3