0 B8R1.2 C#CC1=CC=CC=C1 P107030 [0,0,0,0,0,0|2,0,1]=3 1 B8R1.2 C#CC1=CC=CC=C1 P332820 [0,0,0,0,0,0|2,0,1]=3 2 B8R1.2 C#CC1=CC=CC=N1 E106166 [0,0,0,0,0,0|1,0,1]=2 3 B8R1.2 C#CC1=CC=NC=C1 E115761 [0,0,0,0,0,0|3,0,1]=4 4 B8R1.2 C#CC1=CC=NC=C1 E156047 [0,0,0,0,0,0|3,0,1]=4 5 B8R1.2 C#CC1=CN=CC=C1 E101379 [0,0,0,0,0,0|3,0,1]=4 6 B8R1.2 C#CC1=NC=CC=N1 E170018 [0,0,0,0,0,0|2,0,1]=3 7 B8R1.2 C1=CC(=CN=C1)C#N N104919 [0,0,0,0,0,0|3,0,1]=4 8 B8R1.2 C1=CC(=CN=C1)C=O P106877 [0,0,0,0,0,0|2,1,1]=4 9 B8R1.2 C1=CC(=CN=C1)CBr B137612 [0,0,0,0,0,0|3,0,0]=3 10 B8R1.2 C1=CC(=CN=C1)CCl P135883 [0,0,0,0,0,0|3,0,0]=3 11 B8R1.2 C1=CC(=CN=C1)CN P160053 [0,0,0,0,0,0|3,0,0]=3 12 B8R1.2 C1=CC(=CN=C1)CO P106580 [0,0,0,0,0,0|2,1,0]=3 13 B8R1.2 C1=CC(=NN=C1)C#N P170871 [0,0,0,0,0,0|2,0,1]=3 14 B8R1.2 C1=CC=C(C=C1)C#N B104457 [0,0,0,0,0,0|2,0,1]=3 15 B8R1.2 C1=CC=C(C=C1)C#N B104458 [0,0,0,0,0,0|2,0,1]=3 16 B8R1.2 C1=CC=C(C=C1)C#N B110114 [0,0,0,0,0,0|2,0,1]=3 17 B8R1.2 C1=CC=C(C=C1)C#N B113726 [0,0,0,0,0,0|2,0,1]=3 18 B8R1.2 C1=CC=C(C=C1)C#N B119686 [0,0,0,0,0,0|2,0,1]=3 19 B8R1.2 C1=CC=C(C=C1)C#N B121683 [0,0,0,0,0,0|2,0,1]=3 20 B8R1.2 C1=CC=C(C=C1)C=O B110459 [0,0,0,0,0,0|1,1,1]=3 21 B8R1.2 C1=CC=C(C=C1)C=O B110460 [0,0,0,0,0,0|1,1,1]=3 22 B8R1.2 C1=CC=C(C=C1)C=O B110463 [0,0,0,0,0,0|1,1,1]=3 23 B8R1.2 C1=CC=C(C=C1)C=O B110464 [0,0,0,0,0,0|1,1,1]=3 24 B8R1.2 C1=CC=C(C=C1)C=O B266083 [0,0,0,0,0,0|1,1,1]=3 25 B8R1.2 C1=CC=C(C=C1)C=O B420281 [0,0,0,0,0,0|1,1,1]=3 26 B8R1.2 C1=CC=C(C=C1)C=O B472001 [0,0,0,0,0,0|1,1,1]=3 27 B8R1.2 C1=CC=C(C=C1)CBr B108549 [0,0,0,0,0,0|2,0,0]=2 28 B8R1.2 C1=CC=C(C=C1)CBr B471999 [0,0,0,0,0,0|2,0,0]=2 29 B8R1.2 C1=CC=C(C=C1)CBr B472021 [0,0,0,0,0,0|2,0,0]=2 30 B8R1.2 C1=CC=C(C=C1)CCl B110580 [0,0,0,0,0,0|2,0,0]=2 31 B8R1.2 C1=CC=C(C=C1)CCl B110581 [0,0,0,0,0,0|2,0,0]=2 32 B8R1.2 C1=CC=C(C=C1)CCl B110582 [0,0,0,0,0,0|2,0,0]=2 33 B8R1.2 C1=CC=C(C=C1)CCl B141153 [0,0,0,0,0,0|2,0,0]=2 34 B8R1.2 C1=CC=C(C=C1)CCl B431204 [0,0,0,0,0,0|2,0,0]=2 35 B8R1.2 C1=CC=C(C=C1)CCl B472028 [0,0,0,0,0,0|2,0,0]=2 36 B8R1.2 C1=CC=C(C=C1)CCl B472041 [0,0,0,0,0,0|2,0,0]=2 37 B8R1.2 C1=CC=C(C=C1)CN A348464 [0,0,0,0,0,0|2,0,0]=2 38 B8R1.2 C1=CC=C(C=C1)CN B108477 [0,0,0,0,0,0|2,0,0]=2 39 B8R1.2 C1=CC=C(C=C1)CN B152179 [0,0,0,0,0,0|2,0,0]=2 40 B8R1.2 C1=CC=C(C=C1)CN B152887 [0,0,0,0,0,0|2,0,0]=2 41 B8R1.2 C1=CC=C(C=C1)CN B152949 [0,0,0,0,0,0|2,0,0]=2 42 B8R1.2 C1=CC=C(C=C1)CN B304428 [0,0,0,0,0,0|2,0,0]=2 43 B8R1.2 C1=CC=C(C=C1)CN B485378 [0,0,0,0,0,0|2,0,0]=2 44 B8R1.2 C1=CC=C(C=C1)CN P493007 [0,0,0,0,0,0|2,0,0]=2 45 B8R1.2 C1=CC=C(C=C1)CN P493016 [0,0,0,0,0,0|2,0,0]=2 46 B8R1.2 C1=CC=C(C=C1)CN P493100 [0,0,0,0,0,0|2,0,0]=2 47 B8R1.2 C1=CC=C(C=C1)CO B108199 [0,0,0,0,0,0|1,1,0]=2 48 B8R1.2 C1=CC=C(C=C1)CO B108202 [0,0,0,0,0,0|1,1,0]=2 49 B8R1.2 C1=CC=C(C=C1)CO B108203 [0,0,0,0,0,0|1,1,0]=2 50 B8R1.2 C1=CC=C(C=C1)CO B108204 [0,0,0,0,0,0|1,1,0]=2 51 B8R1.2 C1=CC=C(C=C1)CO B108205 [0,0,0,0,0,0|1,1,0]=2 52 B8R1.2 C1=CC=C(C=C1)CO B163018 [0,0,0,0,0,0|1,1,0]=2 53 B8R1.2 C1=CC=C(C=C1)CO B346959 [0,0,0,0,0,0|1,1,0]=2 54 B8R1.2 C1=CC=C(C=C1)CO B420278 [0,0,0,0,0,0|1,1,0]=2 55 B8R1.2 C1=CC=C(C=C1)CO B472101 [0,0,0,0,0,0|1,1,0]=2 56 B8R1.2 C1=CC=C(C=C1)CS B109256 [0,0,0,0,0,0|1,0,0]=1 57 B8R1.2 C1=CC=C(C=C1)I=O I157626 [0,0,0,0,0,0|2,1,0]=3 58 B8R1.2 C1=CC=C(C=C1)N=O N159156 [0,0,0,0,0,0|2,1,0]=3 59 B8R1.2 C1=CC=C(C=C1)NN P104684 [0,0,0,0,0,0|3,0,0]=3 60 B8R1.2 C1=CC=C(C=C1)NN P108563 [0,0,0,0,0,0|3,0,0]=3 61 B8R1.2 C1=CC=C(C=C1)NN P112739 [0,0,0,0,0,0|3,0,0]=3 62 B8R1.2 C1=CC=C(C=C1)NN P579459 [0,0,0,0,0,0|3,0,0]=3 63 B8R1.2 C1=CC=C(C=C1)NO N131374 [0,0,0,0,0,0|2,1,0]=3 64 B8R1.2 C1=CC=C(C=C1)ON O464484 [0,0,0,0,0,0|3,0,0]=3 65 B8R1.2 C1=CC=C(C=C1)[As]=O P336440 [0,0,0,0,0,0|2,1,0]=3 66 B8R1.2 C1=CC=C(C=C1)[Hg]Cl P598721 [0,0,0,0,0,0|3,0,0]=3 67 B8R1.2 C1=CC=C(C=C1)[Se]Cl P160704 [0,0,0,0,0,0|3,0,0]=3 68 B8R1.2 C1=CC=NC(=C1)C#N P106583 [0,0,0,0,0,0|1,0,1]=2 69 B8R1.2 C1=CC=NC(=C1)C=O P105912 [0,0,0,0,0,0|0,1,1]=2 70 B8R1.2 C1=CC=NC(=C1)CBr B169474 [0,0,0,0,0,0|1,0,0]=1 71 B8R1.2 C1=CC=NC(=C1)CCl C117226 [0,0,0,0,0,0|1,0,0]=1 72 B8R1.2 C1=CC=NC(=C1)CN P107146 [0,0,0,0,0,0|1,0,0]=1 73 B8R1.2 C1=CC=NC(=C1)CO P106578 [0,0,0,0,0,0|0,1,0]=1 74 B8R1.2 C1=CC=NC(=C1)NN H133458 [0,0,0,0,0,0|2,0,0]=2 75 B8R1.2 C1=CN=C(C=N1)C#N P121629 [0,0,0,0,0,0|2,0,1]=3 76 B8R1.2 C1=CN=C(C=N1)C=O P176847 [0,0,0,0,0,0|1,1,1]=3 77 B8R1.2 C1=CN=C(C=N1)CN P175485 [0,0,0,0,0,0|2,0,0]=2 78 B8R1.2 C1=CN=C(C=N1)NN H176751 [0,0,0,0,0,0|3,0,0]=3 79 B8R1.2 C1=CN=C(N=C1)C#N P121628 [0,0,0,0,0,0|2,0,1]=3 80 B8R1.2 C1=CN=C(N=C1)CN P176301 [0,0,0,0,0,0|2,0,0]=2 81 B8R1.2 C1=CN=C(N=C1)CO P176469 [0,0,0,0,0,0|1,1,0]=2 82 B8R1.2 C1=CN=C(N=C1)NN H186413 [0,0,0,0,0,0|3,0,0]=3 83 B8R1.2 C1=CN=CC=C1C#N P110335 [0,0,0,0,0,0|3,0,1]=4 84 B8R1.2 C1=CN=CC=C1C=O P105913 [0,0,0,0,0,0|2,1,1]=4 85 B8R1.2 C1=CN=CC=C1CBr B135280 [0,0,0,0,0,0|3,0,0]=3 86 B8R1.2 C1=CN=CC=C1CCl C107154 [0,0,0,0,0,0|3,0,0]=3 87 B8R1.2 C1=CN=CC=C1CN A107215 [0,0,0,0,0,0|3,0,0]=3 88 B8R1.2 C1=CN=CC=C1CN P194376 [0,0,0,0,0,0|3,0,0]=3 89 B8R1.2 C1=CN=CC=C1CO P107414 [0,0,0,0,0,0|2,1,0]=3 90 B8R1.2 C1=CN=CC=C1NN H175681 [0,0,0,0,0,0|4,0,0]=4 91 B8R1.2 C1=CN=CN=C1CO P176166 [0,0,0,0,0,0|1,1,0]=2 92 B8R1.2 C=CC1=CC=CC=C1 A304890 [0,0,0,0,0,0|2,0,1]=3 93 B8R1.2 C=CC1=CC=CC=C1 P107084 [0,0,0,0,0,0|2,0,1]=3 94 B8R1.2 C=CC1=CC=CC=C1 P107085 [0,0,0,0,0,0|2,0,1]=3 95 B8R1.2 C=CC1=CC=CC=C1 P107086 [0,0,0,0,0,0|2,0,1]=3 96 B8R1.2 C=CC1=CC=CC=C1 P107087 [0,0,0,0,0,0|2,0,1]=3 97 B8R1.2 C=CC1=CC=CC=C1 P107088 [0,0,0,0,0,0|2,0,1]=3 98 B8R1.2 C=CC1=CC=CC=C1 P107089 [0,0,0,0,0,0|2,0,1]=3 99 B8R1.2 C=CC1=CC=CC=C1 P107090 [0,0,0,0,0,0|2,0,1]=3 100 B8R1.2 C=CC1=CC=CC=C1 P107091 [0,0,0,0,0,0|2,0,1]=3 101 B8R1.2 C=CC1=CC=CC=C1 P107772 [0,0,0,0,0,0|2,0,1]=3 102 B8R1.2 C=CC1=CC=CC=C1 P107773 [0,0,0,0,0,0|2,0,1]=3 103 B8R1.2 C=CC1=CC=CC=C1 P107774 [0,0,0,0,0,0|2,0,1]=3 104 B8R1.2 C=CC1=CC=CC=C1 P107775 [0,0,0,0,0,0|2,0,1]=3 105 B8R1.2 C=CC1=CC=CC=C1 P107776 [0,0,0,0,0,0|2,0,1]=3 106 B8R1.2 C=CC1=CC=CC=C1 P107777 [0,0,0,0,0,0|2,0,1]=3 107 B8R1.2 C=CC1=CC=CC=C1 P107778 [0,0,0,0,0,0|2,0,1]=3 108 B8R1.2 C=CC1=CC=CC=C1 P107779 [0,0,0,0,0,0|2,0,1]=3 109 B8R1.2 C=CC1=CC=CC=C1 P107780 [0,0,0,0,0,0|2,0,1]=3 110 B8R1.2 C=CC1=CC=CC=C1 P107782 [0,0,0,0,0,0|2,0,1]=3 111 B8R1.2 C=CC1=CC=CC=C1 P107783 [0,0,0,0,0,0|2,0,1]=3 112 B8R1.2 C=CC1=CC=CC=C1 P107784 [0,0,0,0,0,0|2,0,1]=3 113 B8R1.2 C=CC1=CC=CC=C1 P107786 [0,0,0,0,0,0|2,0,1]=3 114 B8R1.2 C=CC1=CC=CC=C1 P107787 [0,0,0,0,0,0|2,0,1]=3 115 B8R1.2 C=CC1=CC=CC=C1 P107789 [0,0,0,0,0,0|2,0,1]=3 116 B8R1.2 C=CC1=CC=CC=C1 P107790 [0,0,0,0,0,0|2,0,1]=3 117 B8R1.2 C=CC1=CC=CC=C1 P107791 [0,0,0,0,0,0|2,0,1]=3 118 B8R1.2 C=CC1=CC=CC=C1 P107792 [0,0,0,0,0,0|2,0,1]=3 119 B8R1.2 C=CC1=CC=CC=C1 P107793 [0,0,0,0,0,0|2,0,1]=3 120 B8R1.2 C=CC1=CC=CC=C1 P107794 [0,0,0,0,0,0|2,0,1]=3 121 B8R1.2 C=CC1=CC=CC=C1 P107795 [0,0,0,0,0,0|2,0,1]=3 122 B8R1.2 C=CC1=CC=CC=C1 P107796 [0,0,0,0,0,0|2,0,1]=3 123 B8R1.2 C=CC1=CC=CC=C1 P107797 [0,0,0,0,0,0|2,0,1]=3 124 B8R1.2 C=CC1=CC=CC=C1 P107798 [0,0,0,0,0,0|2,0,1]=3 125 B8R1.2 C=CC1=CC=CC=C1 P107801 [0,0,0,0,0,0|2,0,1]=3 126 B8R1.2 C=CC1=CC=CC=C1 P107802 [0,0,0,0,0,0|2,0,1]=3 127 B8R1.2 C=CC1=CC=CC=C1 P107803 [0,0,0,0,0,0|2,0,1]=3 128 B8R1.2 C=CC1=CC=CC=C1 P107804 [0,0,0,0,0,0|2,0,1]=3 129 B8R1.2 C=CC1=CC=CC=C1 P107805 [0,0,0,0,0,0|2,0,1]=3 130 B8R1.2 C=CC1=CC=CC=C1 P107806 [0,0,0,0,0,0|2,0,1]=3 131 B8R1.2 C=CC1=CC=CC=C1 P107807 [0,0,0,0,0,0|2,0,1]=3 132 B8R1.2 C=CC1=CC=CC=C1 P107808 [0,0,0,0,0,0|2,0,1]=3 133 B8R1.2 C=CC1=CC=CC=C1 P107809 [0,0,0,0,0,0|2,0,1]=3 134 B8R1.2 C=CC1=CC=CC=C1 P107810 [0,0,0,0,0,0|2,0,1]=3 135 B8R1.2 C=CC1=CC=CC=C1 P107811 [0,0,0,0,0,0|2,0,1]=3 136 B8R1.2 C=CC1=CC=CC=C1 P107812 [0,0,0,0,0,0|2,0,1]=3 137 B8R1.2 C=CC1=CC=CC=C1 P107813 [0,0,0,0,0,0|2,0,1]=3 138 B8R1.2 C=CC1=CC=CC=C1 P107814 [0,0,0,0,0,0|2,0,1]=3 139 B8R1.2 C=CC1=CC=CC=C1 P119494 [0,0,0,0,0,0|2,0,1]=3 140 B8R1.2 C=CC1=CC=CC=C1 P119495 [0,0,0,0,0,0|2,0,1]=3 141 B8R1.2 C=CC1=CC=CC=C1 P119496 [0,0,0,0,0,0|2,0,1]=3 142 B8R1.2 C=CC1=CC=CC=C1 P119498 [0,0,0,0,0,0|2,0,1]=3 143 B8R1.2 C=CC1=CC=CC=C1 P119572 [0,0,0,0,0,0|2,0,1]=3 144 B8R1.2 C=CC1=CC=CC=C1 P304886 [0,0,0,0,0,0|2,0,1]=3 145 B8R1.2 C=CC1=CC=CC=C1 P304889 [0,0,0,0,0,0|2,0,1]=3 146 B8R1.2 C=CC1=CC=CC=C1 P434446 [0,0,0,0,0,0|2,0,1]=3 147 B8R1.2 C=CC1=CC=CC=C1 P434450 [0,0,0,0,0,0|2,0,1]=3 148 B8R1.2 C=CC1=CC=CC=C1 P434455 [0,0,0,0,0,0|2,0,1]=3 149 B8R1.2 C=CC1=CC=CC=C1 P476626 [0,0,0,0,0,0|2,0,1]=3 150 B8R1.2 C=CC1=CC=CC=C1 P490073 [0,0,0,0,0,0|2,0,1]=3 151 B8R1.2 C=CC1=CC=CC=C1 P638578 [0,0,0,0,0,0|2,0,1]=3 152 B8R1.2 C=CC1=CC=CC=C1 S110374 [0,0,0,0,0,0|2,0,1]=3 153 B8R1.2 C=CC1=CC=CC=C1 S110375 [0,0,0,0,0,0|2,0,1]=3 154 B8R1.2 C=CC1=CC=CC=C1 S110376 [0,0,0,0,0,0|2,0,1]=3 155 B8R1.2 C=CC1=CC=CC=C1 S110377 [0,0,0,0,0,0|2,0,1]=3 156 B8R1.2 C=CC1=CC=CC=C1 S110378 [0,0,0,0,0,0|2,0,1]=3 157 B8R1.2 C=CC1=CC=CC=C1 S121282 [0,0,0,0,0,0|2,0,1]=3 158 B8R1.2 C=CC1=CC=CC=N1 V106227 [0,0,0,0,0,0|1,0,1]=2 159 B8R1.2 C=CC1=CC=NC=C1 P303219 [0,0,0,0,0,0|3,0,1]=4 160 B8R1.2 C=CC1=CC=NC=C1 P303220 [0,0,0,0,0,0|3,0,1]=4 161 B8R1.2 C=CC1=CC=NC=C1 P466518 [0,0,0,0,0,0|3,0,1]=4 162 B8R1.2 C=CC1=CC=NC=C1 V105595 [0,0,0,0,0,0|3,0,1]=4 163 B8R1.2 C=CC1=CN=CC=C1 V138030 [0,0,0,0,0,0|3,0,1]=4 164 B8R1.2 CCC1=CC=CC=C1 E108144 [0,0,0,0,0,0|2,0,0]=2 165 B8R1.2 CCC1=CC=CC=C1 E108145 [0,0,0,0,0,0|2,0,0]=2 166 B8R1.2 CCC1=CC=CC=C1 E108146 [0,0,0,0,0,0|2,0,0]=2 167 B8R1.2 CCC1=CC=CC=C1 E108148 [0,0,0,0,0,0|2,0,0]=2 168 B8R1.2 CCC1=CC=CC=C1 E108149 [0,0,0,0,0,0|2,0,0]=2 169 B8R1.2 CCC1=CC=CC=C1 E117364 [0,0,0,0,0,0|2,0,0]=2 170 B8R1.2 CCC1=CC=CC=N1 E156565 [0,0,0,0,0,0|1,0,0]=1 171 B8R1.2 CCC1=CC=NC=C1 E106225 [0,0,0,0,0,0|3,0,0]=3 172 B8R1.2 CCC1=CN=CC=C1 E156048 [0,0,0,0,0,0|3,0,0]=3 173 B8R1.2 CCC1=NC=CN=C1 E156371 [0,0,0,0,0,0|2,0,0]=2 174 B8R1.2 CC[N+]1=CC=CC=C1 E102660 [0,0,0,0,0,0|3,0,0]=3 175 B8R1.2 CC[N+]1=CC=CC=C1 E102661 [0,0,0,0,0,0|3,0,0]=3 176 B8R1.2 CNC1=CC=CC=C1 M109539 [0,0,0,0,0,0|3,0,0]=3 177 B8R1.2 CNC1=CC=CC=C1 M109540 [0,0,0,0,0,0|3,0,0]=3 178 B8R1.2 CNC1=CC=CC=N1 M158828 [0,0,0,0,0,0|2,0,0]=2 179 B8R1.2 CNC1=CC=NC=C1 M119978 [0,0,0,0,0,0|4,0,0]=4 180 B8R1.2 CNC1=CN=CC=C1 M158833 [0,0,0,0,0,0|4,0,0]=4 181 B8R1.2 CNC1=NC=CC=N1 N339574 [0,0,0,0,0,0|3,0,0]=3 182 B8R1.2 COC1=CC=CC=C1 A103680 [0,0,0,0,0,0|3,0,0]=3 183 B8R1.2 COC1=CC=CC=C1 A103683 [0,0,0,0,0,0|3,0,0]=3 184 B8R1.2 COC1=CC=CC=C1 A103684 [0,0,0,0,0,0|3,0,0]=3 185 B8R1.2 COC1=CC=CC=C1 A105952 [0,0,0,0,0,0|3,0,0]=3 186 B8R1.2 COC1=CC=CC=C1 A472026 [0,0,0,0,0,0|3,0,0]=3 187 B8R1.2 COC1=CC=CC=N1 M120557 [0,0,0,0,0,0|2,0,0]=2 188 B8R1.2 COC1=CC=NC=C1 M120571 [0,0,0,0,0,0|4,0,0]=4 189 B8R1.2 COC1=CN=CC=C1 M134006 [0,0,0,0,0,0|4,0,0]=4 190 B8R1.2 COC1=NC=CN=C1 M136222 [0,0,0,0,0,0|3,0,0]=3 191 B8R1.2 COC1=NC=NC=C1 M158443 [0,0,0,0,0,0|3,0,0]=3 192 B8R1.2 COC1=NN=CC=C1 M157842 [0,0,0,0,0,0|3,0,0]=3 193 B8R1.2 CSC1=CC=CC=C1 T107511 [0,0,0,0,0,0|3,0,0]=3 194 B8R1.2 CSC1=CC=CC=N1 M132299 [0,0,0,0,0,0|2,0,0]=2 195 B8R1.2 CSC1=NC=CC=N1 M186764 [0,0,0,0,0,0|3,0,0]=3 196 B8R1.2 CSC1=NC=CN=C1 M132836 [0,0,0,0,0,0|3,0,0]=3 197 B8R1.2 CSC1=NC=CN=N1 M169273 [0,0,0,0,0,0|4,0,0]=4 198 B8R1.2 C[Si]C1=CC=CC=C1 M338232 [0,0,0,0,0,0|2,1,0]=3 199 B8R1.2 [C-]#CC1=CC=CC=C1 C282525 [0,0,0,0,0,0|2,0,1]=3 200 B8R1.2 [C-]#CC1=CC=CC=C1 P331408 [0,0,0,0,0,0|2,0,1]=3 201 B7R1.3 Brc1ccccc1 B128157 [1,0,0,0,0,0|2,0,0]=3 202 B7R1.3 C1=CC(=CN=C1)Br B106977 [1,0,0,0,0,0|3,0,0]=4 203 B7R1.3 C1=CC(=CN=C1)Cl C106490 [1,0,0,0,0,0|3,0,0]=4 204 B7R1.3 C1=CC(=CN=C1)F F119663 [1,0,0,0,0,0|3,0,0]=4 205 B7R1.3 C1=CC(=CN=C1)I I101566 [1,0,0,0,0,0|3,0,0]=4 206 B7R1.3 C1=CC(=CN=C1)N A107134 [1,0,0,0,0,0|3,0,0]=4 207 B7R1.3 C1=CC(=CN=C1)N A107135 [1,0,0,0,0,0|3,0,0]=4 208 B7R1.3 C1=CC(=CN=C1)O H106342 [1,0,0,0,0,0|2,1,0]=4 209 B7R1.3 C1=CC(=CN=C1)O H434905 [1,0,0,0,0,0|2,1,0]=4 210 B7R1.3 C1=CC(=NN=C1)Br B590520 [1,0,0,0,0,0|2,0,0]=3 211 B7R1.3 C1=CC(=NN=C1)Cl C177666 [1,0,0,0,0,0|2,0,0]=3 212 B7R1.3 C1=CC(=NN=C1)N A123467 [1,0,0,0,0,0|2,0,0]=3 213 B7R1.3 C1=CC(=O)NC=C1 H108693 [1,0,0,0,0,0|0,1,1]=3 214 B7R1.3 C1=CC(=O)NC=C1 H421556 [1,0,0,0,0,0|0,1,1]=3 215 B7R1.3 C1=CC(=O)NN=C1 P119352 [1,0,0,0,0,0|1,1,1]=4 216 B7R1.3 C1=CC(=O)OC=C1 A136345 [1,0,0,0,0,0|1,1,0]=3 217 B7R1.3 C1=CC(=S)NC=C1 M101871 [1,0,0,0,0,0|0,0,2]=3 218 B7R1.3 C1=CC=C(C=C1)Br B103388 [1,0,0,0,0,0|2,0,0]=3 219 B7R1.3 C1=CC=C(C=C1)Br B103389 [1,0,0,0,0,0|2,0,0]=3 220 B7R1.3 C1=CC=C(C=C1)Br B103390 [1,0,0,0,0,0|2,0,0]=3 221 B7R1.3 C1=CC=C(C=C1)Br B121294 [1,0,0,0,0,0|2,0,0]=3 222 B7R1.3 C1=CC=C(C=C1)Br B473807 [1,0,0,0,0,0|2,0,0]=3 223 B7R1.3 C1=CC=C(C=C1)Cl C105081 [1,0,0,0,0,0|2,0,0]=3 224 B7R1.3 C1=CC=C(C=C1)Cl C105082 [1,0,0,0,0,0|2,0,0]=3 225 B7R1.3 C1=CC=C(C=C1)Cl C105083 [1,0,0,0,0,0|2,0,0]=3 226 B7R1.3 C1=CC=C(C=C1)Cl C105084 [1,0,0,0,0,0|2,0,0]=3 227 B7R1.3 C1=CC=C(C=C1)Cl C119461 [1,0,0,0,0,0|2,0,0]=3 228 B7R1.3 C1=CC=C(C=C1)Cl C342726 [1,0,0,0,0,0|2,0,0]=3 229 B7R1.3 C1=CC=C(C=C1)Cl C431386 [1,0,0,0,0,0|2,0,0]=3 230 B7R1.3 C1=CC=C(C=C1)Cl C639739 [1,0,0,0,0,0|2,0,0]=3 231 B7R1.3 C1=CC=C(C=C1)F F107096 [1,0,0,0,0,0|2,0,0]=3 232 B7R1.3 C1=CC=C(C=C1)F F107098 [1,0,0,0,0,0|2,0,0]=3 233 B7R1.3 C1=CC=C(C=C1)F F107099 [1,0,0,0,0,0|2,0,0]=3 234 B7R1.3 C1=CC=C(C=C1)F F107100 [1,0,0,0,0,0|2,0,0]=3 235 B7R1.3 C1=CC=C(C=C1)F F128178 [1,0,0,0,0,0|2,0,0]=3 236 B7R1.3 C1=CC=C(C=C1)F F128179 [1,0,0,0,0,0|2,0,0]=3 237 B7R1.3 C1=CC=C(C=C1)I I104581 [1,0,0,0,0,0|2,0,0]=3 238 B7R1.3 C1=CC=C(C=C1)I I104582 [1,0,0,0,0,0|2,0,0]=3 239 B7R1.3 C1=CC=C(C=C1)N A108448 [1,0,0,0,0,0|2,0,0]=3 240 B7R1.3 C1=CC=C(C=C1)N A111640 [1,0,0,0,0,0|2,0,0]=3 241 B7R1.3 C1=CC=C(C=C1)N A112119 [1,0,0,0,0,0|2,0,0]=3 242 B7R1.3 C1=CC=C(C=C1)N A112120 [1,0,0,0,0,0|2,0,0]=3 243 B7R1.3 C1=CC=C(C=C1)N A112122 [1,0,0,0,0,0|2,0,0]=3 244 B7R1.3 C1=CC=C(C=C1)N A112123 [1,0,0,0,0,0|2,0,0]=3 245 B7R1.3 C1=CC=C(C=C1)N A112124 [1,0,0,0,0,0|2,0,0]=3 246 B7R1.3 C1=CC=C(C=C1)N A112125 [1,0,0,0,0,0|2,0,0]=3 247 B7R1.3 C1=CC=C(C=C1)N A117353 [1,0,0,0,0,0|2,0,0]=3 248 B7R1.3 C1=CC=C(C=C1)N A117354 [1,0,0,0,0,0|2,0,0]=3 249 B7R1.3 C1=CC=C(C=C1)N A117355 [1,0,0,0,0,0|2,0,0]=3 250 B7R1.3 C1=CC=C(C=C1)N A121681 [1,0,0,0,0,0|2,0,0]=3 251 B7R1.3 C1=CC=C(C=C1)N A133014 [1,0,0,0,0,0|2,0,0]=3 252 B7R1.3 C1=CC=C(C=C1)N A135834 [1,0,0,0,0,0|2,0,0]=3 253 B7R1.3 C1=CC=C(C=C1)N A151130 [1,0,0,0,0,0|2,0,0]=3 254 B7R1.3 C1=CC=C(C=C1)N A151150 [1,0,0,0,0,0|2,0,0]=3 255 B7R1.3 C1=CC=C(C=C1)N A283803 [1,0,0,0,0,0|2,0,0]=3 256 B7R1.3 C1=CC=C(C=C1)N A344406 [1,0,0,0,0,0|2,0,0]=3 257 B7R1.3 C1=CC=C(C=C1)N P492994 [1,0,0,0,0,0|2,0,0]=3 258 B7R1.3 C1=CC=C(C=C1)N P492999 [1,0,0,0,0,0|2,0,0]=3 259 B7R1.3 C1=CC=C(C=C1)O P100761 [1,0,0,0,0,0|1,1,0]=3 260 B7R1.3 C1=CC=C(C=C1)O P100762 [1,0,0,0,0,0|1,1,0]=3 261 B7R1.3 C1=CC=C(C=C1)O P100765 [1,0,0,0,0,0|1,1,0]=3 262 B7R1.3 C1=CC=C(C=C1)O P100767 [1,0,0,0,0,0|1,1,0]=3 263 B7R1.3 C1=CC=C(C=C1)O P100769 [1,0,0,0,0,0|1,1,0]=3 264 B7R1.3 C1=CC=C(C=C1)O P100770 [1,0,0,0,0,0|1,1,0]=3 265 B7R1.3 C1=CC=C(C=C1)O P121281 [1,0,0,0,0,0|1,1,0]=3 266 B7R1.3 C1=CC=C(C=C1)O P128316 [1,0,0,0,0,0|1,1,0]=3 267 B7R1.3 C1=CC=C(C=C1)O P397150 [1,0,0,0,0,0|1,1,0]=3 268 B7R1.3 C1=CC=C(C=C1)O P472012 [1,0,0,0,0,0|1,1,0]=3 269 B7R1.3 C1=CC=C(C=C1)[O-] P171611 [1,0,0,0,0,0|1,1,0]=3 270 B7R1.3 C1=CC=C(C=C1)[O-] S110499 [1,0,0,0,0,0|1,1,0]=3 271 B7R1.3 C1=CC=C(C=C1)[O-] S190796 [1,0,0,0,0,0|1,1,0]=3 272 B7R1.3 C1=CC=C(C=C1)[S-] C355238 [1,0,0,0,0,0|1,0,1]=3 273 B7R1.3 C1=CC=C(C=C1)[S-] S195897 [1,0,0,0,0,0|1,0,1]=3 274 B7R1.3 C1=CC=C(C=C1)[Se] B121193 [1,0,0,0,0,0|1,1,0]=3 275 B7R1.3 C1=CC=C(C=C1)[Si] P160608 [1,0,0,0,0,0|1,1,0]=3 276 B7R1.3 C1=CC=NC(=C1)Br B109679 [1,0,0,0,0,0|1,0,0]=2 277 B7R1.3 C1=CC=NC(=C1)Cl C104870 [1,0,0,0,0,0|1,0,0]=2 278 B7R1.3 C1=CC=NC(=C1)F F120342 [1,0,0,0,0,0|1,0,0]=2 279 B7R1.3 C1=CC=NC(=C1)I I111393 [1,0,0,0,0,0|1,0,0]=2 280 B7R1.3 C1=CC=NC(=C1)N A105221 [1,0,0,0,0,0|1,0,0]=2 281 B7R1.3 C1=CC=NC(=C1)N A105222 [1,0,0,0,0,0|1,0,0]=2 282 B7R1.3 C1=CC=[N+](C=C1)F F156747 [1,0,0,0,0,0|3,0,0]=4 283 B7R1.3 C1=CC=[N+](C=C1)N A151659 [1,0,0,0,0,0|3,0,0]=4 284 B7R1.3 C1=CC=[N+](C=C1)[O-] P119965 [1,0,0,0,0,0|2,1,0]=4 285 B7R1.3 C1=CC=[N+](C=C1)[O-] P165276 [1,0,0,0,0,0|2,1,0]=4 286 B7R1.3 C1=CN=C(C=N1)Br B135014 [1,0,0,0,0,0|2,0,0]=3 287 B7R1.3 C1=CN=C(C=N1)Cl C124227 [1,0,0,0,0,0|2,0,0]=3 288 B7R1.3 C1=CN=C(C=N1)F F119252 [1,0,0,0,0,0|2,0,0]=3 289 B7R1.3 C1=CN=C(C=N1)I I157423 [1,0,0,0,0,0|2,0,0]=3 290 B7R1.3 C1=CN=C(C=N1)N A111242 [1,0,0,0,0,0|2,0,0]=3 291 B7R1.3 C1=CN=C(N=C1)Br B120301 [1,0,0,0,0,0|2,0,0]=3 292 B7R1.3 C1=CN=C(N=C1)Cl C132282 [1,0,0,0,0,0|2,0,0]=3 293 B7R1.3 C1=CN=C(N=C1)I I404595 [1,0,0,0,0,0|2,0,0]=3 294 B7R1.3 C1=CN=C(N=C1)N A109732 [1,0,0,0,0,0|2,0,0]=3 295 B7R1.3 C1=CN=CC(=O)N1 H134514 [1,0,0,0,0,0|1,1,1]=4 296 B7R1.3 C1=CN=CC(=O)N1 P586771 [1,0,0,0,0,0|1,1,1]=4 297 B7R1.3 C1=CN=CC(=S)N1 M170065 [1,0,0,0,0,0|1,0,2]=4 298 B7R1.3 C1=CN=CC=C1Br B102732 [1,0,0,0,0,0|3,0,0]=4 299 B7R1.3 C1=CN=CC=C1Br B152112 [1,0,0,0,0,0|3,0,0]=4 300 B7R1.3 C1=CN=CC=C1Br B302216 [1,0,0,0,0,0|3,0,0]=4 301 B7R1.3 C1=CN=CC=C1Cl C118400 [1,0,0,0,0,0|3,0,0]=4 302 B7R1.3 C1=CN=CC=C1Cl C119940 [1,0,0,0,0,0|3,0,0]=4 303 B7R1.3 C1=CN=CC=C1I I100877 [1,0,0,0,0,0|3,0,0]=4 304 B7R1.3 C1=CN=CC=C1N A113920 [1,0,0,0,0,0|3,0,0]=4 305 B7R1.3 C1=CN=CN=C1N A151327 [1,0,0,0,0,0|2,0,0]=3 306 B7R1.3 C1=CN=CNC1=O H135948 [1,0,0,0,0,0|1,1,1]=4 307 B7R1.3 C1=CN=CNC1=O P589344 [1,0,0,0,0,0|1,1,1]=4 308 B7R1.3 C1=CN=CNC1=S P587278 [1,0,0,0,0,0|1,0,2]=4 309 B7R1.3 C1=CN=NC(=N1)N A165953 [1,0,0,0,0,0|3,0,0]=4 310 B7R1.3 C1=CNC(=O)N=C1 H111812 [1,0,0,0,0,0|1,1,0]=3 311 B7R1.3 C1=CNC(=O)N=C1 P303873 [1,0,0,0,0,0|1,1,0]=3 312 B7R1.3 C1=CNC(=S)N=C1 M158441 [1,0,0,0,0,0|1,0,1]=3 313 B7R1.3 C1=CNC=CC1=O H106341 [1,0,0,0,0,0|2,1,0]=4 314 B7R1.3 C1=CNC=CC1=S M118290 [1,0,0,0,0,0|2,0,1]=4 315 B7R1.3 C1=COC=CC1=O H157137 [1,0,0,0,0,0|2,1,0]=4 316 B7R1.3 CC1=CC=CC=C1 T102274 [1,0,0,0,0,0|1,0,0]=2 317 B7R1.3 CC1=CC=CC=C1 T102275 [1,0,0,0,0,0|1,0,0]=2 318 B7R1.3 CC1=CC=CC=C1 T102276 [1,0,0,0,0,0|1,0,0]=2 319 B7R1.3 CC1=CC=CC=C1 T399619 [1,0,0,0,0,0|1,0,0]=2 320 B7R1.3 CC1=CC=CC=C1 T399633 [1,0,0,0,0,0|1,0,0]=2 321 B7R1.3 CC1=CC=CC=C1 T399640 [1,0,0,0,0,0|1,0,0]=2 322 B7R1.3 CC1=CC=CC=C1 T399643 [1,0,0,0,0,0|1,0,0]=2 323 B7R1.3 CC1=CC=CC=C1 T399652 [1,0,0,0,0,0|1,0,0]=2 324 B7R1.3 CC1=CC=CC=C1 T399677 [1,0,0,0,0,0|1,0,0]=2 325 B7R1.3 CC1=CC=CC=C1 T399681 [1,0,0,0,0,0|1,0,0]=2 326 B7R1.3 CC1=CC=CC=N1 M108694 [1,0,0,0,0,0|0,0,0]=1 327 B7R1.3 CC1=CC=CC=N1 M108695 [1,0,0,0,0,0|0,0,0]=1 328 B7R1.3 CC1=CC=CC=N1 P122349 [1,0,0,0,0,0|0,0,0]=1 329 B7R1.3 CC1=CC=NC=C1 P105226 [1,0,0,0,0,0|2,0,0]=3 330 B7R1.3 CC1=CCC=CC1 M113652 [1,0,0,0,0,0|1,0,1]=3 331 B7R1.3 CC1=CN=CC=C1 P109209 [1,0,0,0,0,0|2,0,0]=3 332 B7R1.3 CC1=CN=CC=C1 P109210 [1,0,0,0,0,0|2,0,0]=3 333 B7R1.3 CC1=CN=CN=C1 M132067 [1,0,0,0,0,0|3,0,0]=4 334 B7R1.3 CC1=CN=NC=C1 M157845 [1,0,0,0,0,0|3,0,0]=4 335 B7R1.3 CC1=NC=CN=C1 M158369 [1,0,0,0,0,0|1,0,0]=2 336 B7R1.3 CC1=NC=NC=C1 M134934 [1,0,0,0,0,0|1,0,0]=2 337 B7R1.3 CC1=NN=CC=C1 M131781 [1,0,0,0,0,0|1,0,0]=2 338 B7R1.3 C[N+]1=CC=CC=C1 M302265 [1,0,0,0,0,0|2,0,0]=3 339 B7R1.3 Cc1ccccn1 M141144 [1,0,0,0,0,0|0,0,0]=1 340 B7R1.3 Oc1ccccc1 BWY272999 [1,0,0,0,0,0|1,1,0]=3 341 B7R1.3 Oc1ccccc1 BWY273026 [1,0,0,0,0,0|1,1,0]=3 342 B7R1.3 Oc1ccccc1 P100768 [1,0,0,0,0,0|1,1,0]=3 343 B7R1.3 Oc1ccccc1 P117348 [1,0,0,0,0,0|1,1,0]=3 344 B7R1.3 [CH2-]C1=CC=CC=C1 B465975 [1,0,0,0,0,0|1,0,1]=3 345 B9R1.1 C#CC1=CC=C(C=C1)Br B100857 [0,1,0,0,0,0|2,0,1]=4 346 B9R1.1 C#CC1=CC=C(C=C1)Cl C115544 [0,1,0,0,0,0|2,0,1]=4 347 B9R1.1 C#CC1=CC=C(C=C1)F E115545 [0,1,0,0,0,0|2,0,1]=4 348 B9R1.1 C#CC1=CC=C(C=C1)N E156336 [0,1,0,0,0,0|2,0,1]=4 349 B9R1.1 C#CC1=NC=C(C=C1)Br B152260 [0,1,0,0,0,0|1,0,1]=3 350 B9R1.1 C1=C(C=NC(=N1)C#N)Br B176337 [0,1,0,0,0,0|2,0,1]=4 351 B9R1.1 C1=C(C=NC(=N1)C#N)Cl C176336 [0,1,0,0,0,0|2,0,1]=4 352 B9R1.1 C1=C(C=NC(=N1)CO)Br B175796 [0,1,0,0,0,0|1,1,0]=3 353 B9R1.1 C1=C(C=NC(=N1)NN)Br B186770 [0,1,0,0,0,0|3,0,0]=4 354 B9R1.1 C1=C(N=CC(=N1)Cl)CO C177296 [0,1,0,0,0,0|1,1,0]=3 355 B9R1.1 C1=CC(=CC=C1C#N)Br B152383 [0,1,0,0,0,0|2,0,1]=4 356 B9R1.1 C1=CC(=CC=C1C#N)Cl C105375 [0,1,0,0,0,0|2,0,1]=4 357 B9R1.1 C1=CC(=CC=C1C#N)F F120871 [0,1,0,0,0,0|2,0,1]=4 358 B9R1.1 C1=CC(=CC=C1C#N)I I103578 [0,1,0,0,0,0|2,0,1]=4 359 B9R1.1 C1=CC(=CC=C1C#N)N A107274 [0,1,0,0,0,0|2,0,1]=4 360 B9R1.1 C1=CC(=CC=C1C#N)O H115122 [0,1,0,0,0,0|2,0,1]=4 361 B9R1.1 C1=CC(=CC=C1C#N)O H115123 [0,1,0,0,0,0|2,0,1]=4 362 B9R1.1 C1=CC(=CC=C1C#N)S M184058 [0,1,0,0,0,0|2,0,1]=4 363 B9R1.1 C1=CC(=CC=C1C=O)Br B109177 [0,1,0,0,0,0|1,1,1]=4 364 B9R1.1 C1=CC(=CC=C1C=O)Br B419287 [0,1,0,0,0,0|1,1,1]=4 365 B9R1.1 C1=CC(=CC=C1C=O)Cl C104155 [0,1,0,0,0,0|1,1,1]=4 366 B9R1.1 C1=CC(=CC=C1C=O)F F109178 [0,1,0,0,0,0|1,1,1]=4 367 B9R1.1 C1=CC(=CC=C1C=O)I I138274 [0,1,0,0,0,0|1,1,1]=4 368 B9R1.1 C1=CC(=CC=C1C=O)N A303975 [0,1,0,0,0,0|1,1,1]=4 369 B9R1.1 C1=CC(=CC=C1C=O)N A405596 [0,1,0,0,0,0|1,1,1]=4 370 B9R1.1 C1=CC(=CC=C1C=O)O H100420 [0,1,0,0,0,0|1,1,1]=4 371 B9R1.1 C1=CC(=CC=C1C=O)O H100421 [0,1,0,0,0,0|1,1,1]=4 372 B9R1.1 C1=CC(=CC=C1C=O)O H431620 [0,1,0,0,0,0|1,1,1]=4 373 B9R1.1 C1=CC(=CC=C1CBr)Br B171105 [0,1,0,0,0,0|2,0,0]=3 374 B9R1.1 C1=CC(=CC=C1CBr)Cl C135867 [0,1,0,0,0,0|2,0,0]=3 375 B9R1.1 C1=CC(=CC=C1CBr)F F120595 [0,1,0,0,0,0|2,0,0]=3 376 B9R1.1 C1=CC(=CC=C1CBr)I I122909 [0,1,0,0,0,0|2,0,0]=3 377 B9R1.1 C1=CC(=CC=C1CCl)Br B113785 [0,1,0,0,0,0|2,0,0]=3 378 B9R1.1 C1=CC(=CC=C1CCl)Cl C106513 [0,1,0,0,0,0|2,0,0]=3 379 B9R1.1 C1=CC(=CC=C1CCl)F F100905 [0,1,0,0,0,0|2,0,0]=3 380 B9R1.1 C1=CC(=CC=C1CN)Br B133133 [0,1,0,0,0,0|2,0,0]=3 381 B9R1.1 C1=CC(=CC=C1CN)Br B136595 [0,1,0,0,0,0|2,0,0]=3 382 B9R1.1 C1=CC(=CC=C1CN)Cl C117222 [0,1,0,0,0,0|2,0,0]=3 383 B9R1.1 C1=CC(=CC=C1CN)Cl C493514 [0,1,0,0,0,0|2,0,0]=3 384 B9R1.1 C1=CC(=CC=C1CN)F F111212 [0,1,0,0,0,0|2,0,0]=3 385 B9R1.1 C1=CC(=CC=C1CN)F F292633 [0,1,0,0,0,0|2,0,0]=3 386 B9R1.1 C1=CC(=CC=C1CN)F F292646 [0,1,0,0,0,0|2,0,0]=3 387 B9R1.1 C1=CC(=CC=C1CN)F F404486 [0,1,0,0,0,0|2,0,0]=3 388 B9R1.1 C1=CC(=CC=C1CN)I I171122 [0,1,0,0,0,0|2,0,0]=3 389 B9R1.1 C1=CC(=CC=C1CN)N A151636 [0,1,0,0,0,0|2,0,0]=3 390 B9R1.1 C1=CC(=CC=C1CN)N A193875 [0,1,0,0,0,0|2,0,0]=3 391 B9R1.1 C1=CC(=CC=C1CN)O A139192 [0,1,0,0,0,0|2,0,0]=3 392 B9R1.1 C1=CC(=CC=C1CN)O A187992 [0,1,0,0,0,0|2,0,0]=3 393 B9R1.1 C1=CC(=CC=C1CO)Br B139372 [0,1,0,0,0,0|1,1,0]=3 394 B9R1.1 C1=CC(=CC=C1CO)Cl C109479 [0,1,0,0,0,0|1,1,0]=3 395 B9R1.1 C1=CC(=CC=C1CO)F F156598 [0,1,0,0,0,0|1,1,0]=3 396 B9R1.1 C1=CC(=CC=C1CO)I I138398 [0,1,0,0,0,0|1,1,0]=3 397 B9R1.1 C1=CC(=CC=C1CO)N A107272 [0,1,0,0,0,0|1,1,0]=3 398 B9R1.1 C1=CC(=CC=C1CO)O H107912 [0,1,0,0,0,0|1,1,0]=3 399 B9R1.1 C1=CC(=CC=C1CS)Br B101799 [0,1,0,0,0,0|1,0,0]=2 400 B9R1.1 C1=CC(=CC=C1CS)Cl C101789 [0,1,0,0,0,0|1,0,0]=2 401 B9R1.1 C1=CC(=CC=C1CS)F F101796 [0,1,0,0,0,0|1,0,0]=2 402 B9R1.1 C1=CC(=CC=C1N=O)O N159523 [0,1,0,0,0,0|2,1,0]=4 403 B9R1.1 C1=CC(=CC=C1NN)Br B109685 [0,1,0,0,0,0|3,0,0]=4 404 B9R1.1 C1=CC(=CC=C1NN)Br B141295 [0,1,0,0,0,0|3,0,0]=4 405 B9R1.1 C1=CC(=CC=C1NN)Br B185411 [0,1,0,0,0,0|3,0,0]=4 406 B9R1.1 C1=CC(=CC=C1NN)Br B193346 [0,1,0,0,0,0|3,0,0]=4 407 B9R1.1 C1=CC(=CC=C1NN)Cl C110269 [0,1,0,0,0,0|3,0,0]=4 408 B9R1.1 C1=CC(=CC=C1NN)Cl C153656 [0,1,0,0,0,0|3,0,0]=4 409 B9R1.1 C1=CC(=CC=C1NN)F F110267 [0,1,0,0,0,0|3,0,0]=4 410 B9R1.1 C1=CC(=CC=C1NN)I I166921 [0,1,0,0,0,0|3,0,0]=4 411 B9R1.1 C1=CC(=CC=C1NN)I I194278 [0,1,0,0,0,0|3,0,0]=4 412 B9R1.1 C1=CC(=CC=C1[N+]#N)Br B152895 [0,1,0,0,0,0|3,0,0]=4 413 B9R1.1 C1=CC(=NC=C1Br)C#N B107722 [0,1,0,0,0,0|1,0,1]=3 414 B9R1.1 C1=CC(=NC=C1Br)C=O B119147 [0,1,0,0,0,0|0,1,1]=3 415 B9R1.1 C1=CC(=NC=C1Br)CN B182096 [0,1,0,0,0,0|1,0,0]=2 416 B9R1.1 C1=CC(=NC=C1Br)CO B121986 [0,1,0,0,0,0|0,1,0]=2 417 B9R1.1 C1=CC(=NC=C1Br)NN B139270 [0,1,0,0,0,0|2,0,0]=3 418 B9R1.1 C1=CC(=NC=C1CBr)Cl B182268 [0,1,0,0,0,0|3,0,0]=4 419 B9R1.1 C1=CC(=NC=C1CCl)Cl C106558 [0,1,0,0,0,0|3,0,0]=4 420 B9R1.1 C1=CC(=NC=C1CN)Cl A113916 [0,1,0,0,0,0|3,0,0]=4 421 B9R1.1 C1=CC(=NC=C1CO)Br B123090 [0,1,0,0,0,0|2,1,0]=4 422 B9R1.1 C1=CC(=NC=C1CO)Cl C154056 [0,1,0,0,0,0|2,1,0]=4 423 B9R1.1 C1=CC(=NC=C1CO)F F184294 [0,1,0,0,0,0|2,1,0]=4 424 B9R1.1 C1=CC(=NC=C1CO)N A136079 [0,1,0,0,0,0|2,1,0]=4 425 B9R1.1 C1=CC(=NC=C1Cl)C#N C154079 [0,1,0,0,0,0|1,0,1]=3 426 B9R1.1 C1=CC(=NC=C1Cl)C=O C154077 [0,1,0,0,0,0|0,1,1]=3 427 B9R1.1 C1=CC(=NC=C1Cl)NN C183340 [0,1,0,0,0,0|2,0,0]=3 428 B9R1.1 C1=CC(=NC=C1F)C#N C119652 [0,1,0,0,0,0|1,0,1]=3 429 B9R1.1 C1=CC(=NC=C1F)CN A589490 [0,1,0,0,0,0|1,0,0]=2 430 B9R1.1 C1=CC(=NC=C1F)CO F177498 [0,1,0,0,0,0|0,1,0]=2 431 B9R1.1 C1=CC(=NC=C1N)C#N A123440 [0,1,0,0,0,0|1,0,1]=3 432 B9R1.1 C1=CC(=NC=C1O)C#N H177767 [0,1,0,0,0,0|1,0,1]=3 433 B9R1.1 C1=CC(=NC=C1O)C=O H192663 [0,1,0,0,0,0|0,1,1]=3 434 B9R1.1 C1=CC(=NN=C1C#N)Cl C176250 [0,1,0,0,0,0|2,0,1]=4 435 B9R1.1 C1=CC(=NN=C1NN)Cl W132179 [0,1,0,0,0,0|3,0,0]=4 436 B9R1.1 C1=C[N+](=CC=C1CO)[O-] P168730 [0,1,0,0,0,0|2,1,0]=4 437 B9R1.1 C=CC1=CC=C(C=C1)Br B102167 [0,1,0,0,0,0|2,0,1]=4 438 B9R1.1 C=CC1=CC=C(C=C1)Cl C121719 [0,1,0,0,0,0|2,0,1]=4 439 B9R1.1 C=CC1=CC=C(C=C1)F F107117 [0,1,0,0,0,0|2,0,1]=4 440 B9R1.1 C=CC1=CC=C(C=C1)F F407667 [0,1,0,0,0,0|2,0,1]=4 441 B9R1.1 C=CC1=CC=C(C=C1)N A151485 [0,1,0,0,0,0|2,0,1]=4 442 B9R1.1 C=CC1=CC=C(C=C1)O H189096 [0,1,0,0,0,0|2,0,1]=4 443 B9R1.1 CC1=CC=C(C=C1)C#C E106375 [0,1,0,0,0,0|2,0,1]=4 444 B9R1.1 CC1=CC=C(C=C1)C#N P160229 [0,1,0,0,0,0|2,0,1]=4 445 B9R1.1 CC1=CC=C(C=C1)C=C M158348 [0,1,0,0,0,0|2,0,1]=4 446 B9R1.1 CC1=CC=C(C=C1)C=O M105910 [0,1,0,0,0,0|1,1,1]=4 447 B9R1.1 CC1=CC=C(C=C1)CBr M109534 [0,1,0,0,0,0|2,0,0]=3 448 B9R1.1 CC1=CC=C(C=C1)CCl A101683 [0,1,0,0,0,0|2,0,0]=3 449 B9R1.1 CC1=CC=C(C=C1)CCl A164460 [0,1,0,0,0,0|2,0,0]=3 450 B9R1.1 CC1=CC=C(C=C1)CN M158669 [0,1,0,0,0,0|2,0,0]=3 451 B9R1.1 CC1=CC=C(C=C1)CO M113648 [0,1,0,0,0,0|1,1,0]=3 452 B9R1.1 CC1=CC=C(C=C1)CS M113646 [0,1,0,0,0,0|1,0,0]=2 453 B9R1.1 CC1=CC=C(C=C1)NC N159024 [0,1,0,0,0,0|3,0,0]=4 454 B9R1.1 CC1=CC=C(C=C1)NN T109603 [0,1,0,0,0,0|3,0,0]=4 455 B9R1.1 CC1=CC=C(C=C1)OC M106728 [0,1,0,0,0,0|3,0,0]=4 456 B9R1.1 CC1=CC=C(C=C1)SC M101848 [0,1,0,0,0,0|3,0,0]=4 457 B9R1.1 CC1=CN=C(C=C1)C#N C132411 [0,1,0,0,0,0|1,0,1]=3 458 B9R1.1 CC1=CN=C(C=C1)C=O M170606 [0,1,0,0,0,0|0,1,1]=3 459 B9R1.1 CC1=CN=C(C=C1)CN M589171 [0,1,0,0,0,0|1,0,0]=2 460 B9R1.1 CC1=CN=C(C=C1)OC M181247 [0,1,0,0,0,0|2,0,0]=3 461 B9R1.1 CC1=CN=C(C=N1)C=O M176646 [0,1,0,0,0,0|1,1,1]=4 462 B9R1.1 CC1=CN=C(C=N1)CN A151407 [0,1,0,0,0,0|2,0,0]=3 463 B9R1.1 CC1=NC=C(C=C1)CO W136158 [0,1,0,0,0,0|2,1,0]=4 464 B9R1.1 CC1=NN=C(C=C1)NN H193151 [0,1,0,0,0,0|3,0,0]=4 465 B9R1.1 CC1=NN=C(C=C1)OC M587689 [0,1,0,0,0,0|3,0,0]=4 466 B9R1.1 CCC1=CC=C(C=C1)Br B101890 [0,1,0,0,0,0|2,0,0]=3 467 B9R1.1 CCC1=CC=C(C=C1)Br B141181 [0,1,0,0,0,0|2,0,0]=3 468 B9R1.1 CCC1=CC=C(C=C1)C E123489 [0,1,0,0,0,0|2,0,0]=3 469 B9R1.1 CCC1=CC=C(C=C1)Cl C171229 [0,1,0,0,0,0|2,0,0]=3 470 B9R1.1 CCC1=CC=C(C=C1)I E189089 [0,1,0,0,0,0|2,0,0]=3 471 B9R1.1 CCC1=CC=C(C=C1)N E102230 [0,1,0,0,0,0|2,0,0]=3 472 B9R1.1 CCC1=CC=C(C=C1)O E115497 [0,1,0,0,0,0|2,0,0]=3 473 B9R1.1 CCC1=CC=C(C=C1)S E156190 [0,1,0,0,0,0|2,0,0]=3 474 B9R1.1 CCC1=CN=C(C=C1)C E101695 [0,1,0,0,0,0|3,0,0]=4 475 B9R1.1 CCC1=CN=C(C=C1)N E587963 [0,1,0,0,0,0|3,0,0]=4 476 B9R1.1 CCC1=NC=C(N=C1)C E302421 [0,1,0,0,0,0|2,0,0]=3 477 B9R1.1 CC[N+]1=CC=C(C=C1)C E303436 [0,1,0,0,0,0|3,0,0]=4 478 B9R1.1 CNC1=CC=C(C=C1)Br B304406 [0,1,0,0,0,0|3,0,0]=4 479 B9R1.1 CNC1=CC=C(C=C1)Cl C139458 [0,1,0,0,0,0|3,0,0]=4 480 B9R1.1 CNC1=CC=C(C=C1)F F170454 [0,1,0,0,0,0|3,0,0]=4 481 B9R1.1 CNC1=CC=C(C=C1)N N589686 [0,1,0,0,0,0|3,0,0]=4 482 B9R1.1 CNC1=NC=C(C=N1)Br B183617 [0,1,0,0,0,0|3,0,0]=4 483 B9R1.1 COC1=CC=C(C=C1)Br B108656 [0,1,0,0,0,0|3,0,0]=4 484 B9R1.1 COC1=CC=C(C=C1)Cl C113571 [0,1,0,0,0,0|3,0,0]=4 485 B9R1.1 COC1=CC=C(C=C1)F F123675 [0,1,0,0,0,0|3,0,0]=4 486 B9R1.1 COC1=CC=C(C=C1)I I107035 [0,1,0,0,0,0|3,0,0]=4 487 B9R1.1 COC1=CC=C(C=C1)I L359048 [0,1,0,0,0,0|3,0,0]=4 488 B9R1.1 COC1=CC=C(C=C1)N A106071 [0,1,0,0,0,0|3,0,0]=4 489 B9R1.1 COC1=CC=C(C=C1)N A615348 [0,1,0,0,0,0|3,0,0]=4 490 B9R1.1 COC1=CC=C(C=C1)N P160121 [0,1,0,0,0,0|3,0,0]=4 491 B9R1.1 COC1=CC=C(C=C1)O M104222 [0,1,0,0,0,0|3,0,0]=4 492 B9R1.1 COC1=CC=C(C=C1)S M101780 [0,1,0,0,0,0|3,0,0]=4 493 B9R1.1 COC1=CC=C(O)C=C1 M408201 [0,1,0,0,0,0|3,0,0]=4 494 B9R1.1 COC1=NC=C(C=C1)Br B115758 [0,1,0,0,0,0|2,0,0]=3 495 B9R1.1 COC1=NC=C(C=C1)Cl C120716 [0,1,0,0,0,0|2,0,0]=3 496 B9R1.1 COC1=NC=C(C=C1)F F120714 [0,1,0,0,0,0|2,0,0]=3 497 B9R1.1 COC1=NC=C(C=C1)I I132230 [0,1,0,0,0,0|2,0,0]=3 498 B9R1.1 COC1=NC=C(C=C1)N A151664 [0,1,0,0,0,0|2,0,0]=3 499 B9R1.1 COC1=NC=C(C=C1)N A400674 [0,1,0,0,0,0|2,0,0]=3 500 B9R1.1 COC1=NC=C(C=C1)O H184927 [0,1,0,0,0,0|2,0,0]=3 501 B9R1.1 COC1=NC=C(C=N1)Br B123560 [0,1,0,0,0,0|3,0,0]=4 502 B9R1.1 COC1=NC=C(C=N1)Cl C193117 [0,1,0,0,0,0|3,0,0]=4 503 B9R1.1 COC1=NN=C(C=C1)Br B182084 [0,1,0,0,0,0|3,0,0]=4 504 B9R1.1 COC1=NN=C(C=C1)Cl C154051 [0,1,0,0,0,0|3,0,0]=4 505 B9R1.1 COC1=NN=C(C=C1)I I191532 [0,1,0,0,0,0|3,0,0]=4 506 B9R1.1 COC1=NN=C(C=C1)N A337871 [0,1,0,0,0,0|3,0,0]=4 507 B9R1.1 CSC1=CC=C(C=C1)Br B101844 [0,1,0,0,0,0|3,0,0]=4 508 B9R1.1 CSC1=CC=C(C=C1)Cl C101840 [0,1,0,0,0,0|3,0,0]=4 509 B9R1.1 CSC1=CC=C(C=C1)F F101837 [0,1,0,0,0,0|3,0,0]=4 510 B9R1.1 CSC1=CC=C(C=C1)N M101835 [0,1,0,0,0,0|3,0,0]=4 511 B9R1.1 CSC1=CC=C(C=C1)O M100813 [0,1,0,0,0,0|3,0,0]=4 512 B9R1.1 CSC1=CC=C(C=C1)S M101782 [0,1,0,0,0,0|3,0,0]=4 513 B9R1.1 CSC1=NC=C(C=C1)Br B122969 [0,1,0,0,0,0|2,0,0]=3 514 B9R1.1 CSC1=NC=C(C=N1)Br W131884 [0,1,0,0,0,0|3,0,0]=4 515 B9R1.1 CSC1=NC=C(C=N1)Cl C170048 [0,1,0,0,0,0|3,0,0]=4 516 B9R1.1 CSC1=NC=C(C=N1)F F338628 [0,1,0,0,0,0|3,0,0]=4 517 B9R1.1 [C-]#[N+]C1=CC=C(C=C1)Br B303469 [0,1,0,0,0,0|3,0,0]=4 518 B9R1.1 [C-]#[N+]C1=CC=C(C=C1)F F300626 [0,1,0,0,0,0|3,0,0]=4 519 B9R1.2 C#CC1=CC(=CC=C1)Br B304581 [0,1,0,0,0,0|2,0,1]=4 520 B9R1.2 C#CC1=CC(=CC=C1)Cl C110226 [0,1,0,0,0,0|2,0,1]=4 521 B9R1.2 C#CC1=CC(=CC=C1)F W137137 [0,1,0,0,0,0|2,0,1]=4 522 B9R1.2 C#CC1=CC(=CC=C1)N E109740 [0,1,0,0,0,0|2,0,1]=4 523 B9R1.2 C#CC1=CC(=CC=C1)N E588043 [0,1,0,0,0,0|2,0,1]=4 524 B9R1.2 C#CC1=CC(=CC=C1)O H113416 [0,1,0,0,0,0|2,0,1]=4 525 B9R1.2 C1=C(C=NC=C1Br)CO B124232 [0,1,0,0,0,0|2,1,0]=4 526 B9R1.2 C1=C(C=NC=C1Br)CO B494555 [0,1,0,0,0,0|2,1,0]=4 527 B9R1.2 C1=C(C=NC=C1Cl)CCl C177606 [0,1,0,0,0,0|3,0,0]=4 528 B9R1.2 C1=C(C=NC=C1Cl)CO C168770 [0,1,0,0,0,0|2,1,0]=4 529 B9R1.2 C1=C(N=C(C=N1)Cl)CO C586741 [0,1,0,0,0,0|1,1,0]=3 530 B9R1.2 C1=C(N=C(C=N1)Cl)NN C185693 [0,1,0,0,0,0|3,0,0]=4 531 B9R1.2 C1=C(N=CNC1=O)NN H183514 [0,1,0,0,0,0|3,0,0]=4 532 B9R1.2 C1=CC(=CC(=C1)Br)C#N B103597 [0,1,0,0,0,0|2,0,1]=4 533 B9R1.2 C1=CC(=CC(=C1)Br)C=O B108056 [0,1,0,0,0,0|1,1,1]=4 534 B9R1.2 C1=CC(=CC(=C1)Br)CBr B135903 [0,1,0,0,0,0|2,0,0]=3 535 B9R1.2 C1=CC(=CC(=C1)Br)CCl B139457 [0,1,0,0,0,0|2,0,0]=3 536 B9R1.2 C1=CC(=CC(=C1)Br)CN B131936 [0,1,0,0,0,0|2,0,0]=3 537 B9R1.2 C1=CC(=CC(=C1)Br)CN B136310 [0,1,0,0,0,0|2,0,0]=3 538 B9R1.2 C1=CC(=CC(=C1)Br)CO B103188 [0,1,0,0,0,0|1,1,0]=3 539 B9R1.2 C1=CC(=CC(=C1)Br)NN B101715 [0,1,0,0,0,0|3,0,0]=4 540 B9R1.2 C1=CC(=CC(=C1)Cl)C#N C137691 [0,1,0,0,0,0|2,0,1]=4 541 B9R1.2 C1=CC(=CC(=C1)Cl)C=O C154036 [0,1,0,0,0,0|1,1,1]=4 542 B9R1.2 C1=CC(=CC(=C1)Cl)CBr C106489 [0,1,0,0,0,0|2,0,0]=3 543 B9R1.2 C1=CC(=CC(=C1)Cl)CCl C189170 [0,1,0,0,0,0|2,0,0]=3 544 B9R1.2 C1=CC(=CC(=C1)Cl)CN C135515 [0,1,0,0,0,0|2,0,0]=3 545 B9R1.2 C1=CC(=CC(=C1)Cl)CO C106488 [0,1,0,0,0,0|1,1,0]=3 546 B9R1.2 C1=CC(=CC(=C1)Cl)NN C110270 [0,1,0,0,0,0|3,0,0]=4 547 B9R1.2 C1=CC(=CC(=C1)F)C#N F120870 [0,1,0,0,0,0|2,0,1]=4 548 B9R1.2 C1=CC(=CC(=C1)F)C=O F107121 [0,1,0,0,0,0|1,1,1]=4 549 B9R1.2 C1=CC(=CC(=C1)F)CBr F107112 [0,1,0,0,0,0|2,0,0]=3 550 B9R1.2 C1=CC(=CC(=C1)F)CCl F123352 [0,1,0,0,0,0|2,0,0]=3 551 B9R1.2 C1=CC(=CC(=C1)F)CN F107964 [0,1,0,0,0,0|2,0,0]=3 552 B9R1.2 C1=CC(=CC(=C1)F)CO F156601 [0,1,0,0,0,0|1,1,0]=3 553 B9R1.2 C1=CC(=CC(=C1)F)NN F102558 [0,1,0,0,0,0|3,0,0]=4 554 B9R1.2 C1=CC(=CC(=C1)I)C#N I103577 [0,1,0,0,0,0|2,0,1]=4 555 B9R1.2 C1=CC(=CC(=C1)I)C=O I135884 [0,1,0,0,0,0|1,1,1]=4 556 B9R1.2 C1=CC(=CC(=C1)I)CBr I133459 [0,1,0,0,0,0|2,0,0]=3 557 B9R1.2 C1=CC(=CC(=C1)I)CN I113819 [0,1,0,0,0,0|2,0,0]=3 558 B9R1.2 C1=CC(=CC(=C1)I)CN I468184 [0,1,0,0,0,0|2,0,0]=3 559 B9R1.2 C1=CC(=CC(=C1)I)CO I157442 [0,1,0,0,0,0|1,1,0]=3 560 B9R1.2 C1=CC(=CC(=C1)N)C#N A107198 [0,1,0,0,0,0|2,0,1]=4 561 B9R1.2 C1=CC(=CC(=C1)N)CN A151635 [0,1,0,0,0,0|2,0,0]=3 562 B9R1.2 C1=CC(=CC(=C1)N)CO A151125 [0,1,0,0,0,0|1,1,0]=3 563 B9R1.2 C1=CC(=CC(=C1)O)C#N C139371 [0,1,0,0,0,0|2,0,1]=4 564 B9R1.2 C1=CC(=CC(=C1)O)C=O H104163 [0,1,0,0,0,0|1,1,1]=4 565 B9R1.2 C1=CC(=CC(=C1)O)CN H407384 [0,1,0,0,0,0|2,0,0]=3 566 B9R1.2 C1=CC(=CC(=C1)O)CO H137304 [0,1,0,0,0,0|1,1,0]=3 567 B9R1.2 C1=CC(=CC(=C1)O)CO H501150 [0,1,0,0,0,0|1,1,0]=3 568 B9R1.2 C1=CC(=C[N+](=C1)[O-])CO M418531 [0,1,0,0,0,0|2,1,0]=4 569 B9R1.2 C1=CC(=NC(=C1)Br)C#N W132621 [0,1,0,0,0,0|1,0,1]=3 570 B9R1.2 C1=CC(=NC(=C1)Br)C=O B115762 [0,1,0,0,0,0|0,1,1]=3 571 B9R1.2 C1=CC(=NC(=C1)Br)CBr B186803 [0,1,0,0,0,0|1,0,0]=2 572 B9R1.2 C1=CC(=NC(=C1)Br)CN B191781 [0,1,0,0,0,0|1,0,0]=2 573 B9R1.2 C1=CC(=NC(=C1)Br)CN B195815 [0,1,0,0,0,0|1,0,0]=2 574 B9R1.2 C1=CC(=NC(=C1)Br)CO B115778 [0,1,0,0,0,0|0,1,0]=2 575 B9R1.2 C1=CC(=NC(=C1)Br)NN B152452 [0,1,0,0,0,0|2,0,0]=3 576 B9R1.2 C1=CC(=NC(=C1)Cl)C#N W136246 [0,1,0,0,0,0|1,0,1]=3 577 B9R1.2 C1=CC(=NC(=C1)Cl)C=O C154078 [0,1,0,0,0,0|0,1,1]=3 578 B9R1.2 C1=CC(=NC(=C1)Cl)CO C183811 [0,1,0,0,0,0|0,1,0]=2 579 B9R1.2 C1=CC(=NC(=C1)Cl)NN C153939 [0,1,0,0,0,0|2,0,0]=3 580 B9R1.2 C1=CC(=NC(=C1)F)C#N F138786 [0,1,0,0,0,0|1,0,1]=3 581 B9R1.2 C1=CC(=NC(=C1)F)C=O F182684 [0,1,0,0,0,0|0,1,1]=3 582 B9R1.2 C1=CC(=NC(=C1)N)C#N A588907 [0,1,0,0,0,0|1,0,1]=3 583 B9R1.2 C1=CC(=NC(=C1)N)CO A120737 [0,1,0,0,0,0|0,1,0]=2 584 B9R1.2 C1=CN=C(C=C1Br)C#N B136977 [0,1,0,0,0,0|1,0,1]=3 585 B9R1.2 C1=CN=C(C=C1Br)CN B177735 [0,1,0,0,0,0|1,0,0]=2 586 B9R1.2 C1=CN=C(C=C1Br)NN B586156 [0,1,0,0,0,0|2,0,0]=3 587 B9R1.2 C1=CN=C(C=C1CCl)Cl C171686 [0,1,0,0,0,0|3,0,0]=4 588 B9R1.2 C1=CN=C(C=C1CCl)N A586528 [0,1,0,0,0,0|3,0,0]=4 589 B9R1.2 C1=CN=C(C=C1CO)Br B124237 [0,1,0,0,0,0|2,1,0]=4 590 B9R1.2 C1=CN=C(C=C1CO)Cl C124765 [0,1,0,0,0,0|2,1,0]=4 591 B9R1.2 C1=CN=C(C=C1CO)N A120732 [0,1,0,0,0,0|2,1,0]=4 592 B9R1.2 C1=CN=C(C=C1Cl)C#N C120793 [0,1,0,0,0,0|1,0,1]=3 593 B9R1.2 C1=CN=C(C=C1Cl)C=O C176987 [0,1,0,0,0,0|0,1,1]=3 594 B9R1.2 C1=CN=C(C=C1Cl)CCl C189999 [0,1,0,0,0,0|1,0,0]=2 595 B9R1.2 C1=CN=C(C=C1Cl)CN C175147 [0,1,0,0,0,0|1,0,0]=2 596 B9R1.2 C1=CN=C(C=C1F)C#N F283598 [0,1,0,0,0,0|1,0,1]=3 597 B9R1.2 C1=CN=C(N=C1C#N)Cl C135685 [0,1,0,0,0,0|2,0,1]=4 598 B9R1.2 C1=CN=C(N=C1C#N)N A176265 [0,1,0,0,0,0|2,0,1]=4 599 B9R1.2 C=CC1=CC(=CC=C1)Br B121722 [0,1,0,0,0,0|2,0,1]=4 600 B9R1.2 C=CC1=CC(=CC=C1)Cl C121720 [0,1,0,0,0,0|2,0,1]=4 601 B9R1.2 C=CC1=CC(=CC=C1)Cl C140515 [0,1,0,0,0,0|2,0,1]=4 602 B9R1.2 C=CC1=CC(=CC=C1)F F121724 [0,1,0,0,0,0|2,0,1]=4 603 B9R1.2 C=CC1=CC(=CC=C1)N V138287 [0,1,0,0,0,0|2,0,1]=4 604 B9R1.2 CC1=CC(=CC=C1)C#C E107733 [0,1,0,0,0,0|2,0,1]=4 605 B9R1.2 CC1=CC(=CC=C1)C#N T100294 [0,1,0,0,0,0|2,0,1]=4 606 B9R1.2 CC1=CC(=CC=C1)C=C M158347 [0,1,0,0,0,0|2,0,1]=4 607 B9R1.2 CC1=CC(=CC=C1)C=O M157831 [0,1,0,0,0,0|1,1,1]=4 608 B9R1.2 CC1=CC(=CC=C1)CBr B405679 [0,1,0,0,0,0|2,0,0]=3 609 B9R1.2 CC1=CC(=CC=C1)CCl M101677 [0,1,0,0,0,0|2,0,0]=3 610 B9R1.2 CC1=CC(=CC=C1)CN M158668 [0,1,0,0,0,0|2,0,0]=3 611 B9R1.2 CC1=CC(=CC=C1)CO M157904 [0,1,0,0,0,0|1,1,0]=3 612 B9R1.2 CC1=CC(=CC=C1)CS M588442 [0,1,0,0,0,0|1,0,0]=2 613 B9R1.2 CC1=CC(=CC=C1)NC M107962 [0,1,0,0,0,0|3,0,0]=4 614 B9R1.2 CC1=CC(=CC=C1)NN T101274 [0,1,0,0,0,0|3,0,0]=4 615 B9R1.2 CC1=CC(=CC=C1)OC M158111 [0,1,0,0,0,0|3,0,0]=4 616 B9R1.2 CC1=CC(=CC=C1)SC M351262 [0,1,0,0,0,0|3,0,0]=4 617 B9R1.2 CC1=CC(=CN=C1)CCl C178714 [0,1,0,0,0,0|3,0,0]=4 618 B9R1.2 CC1=CC(=NC=C1)C#N C132269 [0,1,0,0,0,0|1,0,1]=3 619 B9R1.2 CC1=CC(=NC=C1)C=O M124675 [0,1,0,0,0,0|0,1,1]=3 620 B9R1.2 CC1=CC(=NC=C1)CN M586928 [0,1,0,0,0,0|1,0,0]=2 621 B9R1.2 CC1=CC(=NC=C1)CN M588861 [0,1,0,0,0,0|1,0,0]=2 622 B9R1.2 CC1=CC(=NC=C1)NN H589250 [0,1,0,0,0,0|2,0,0]=3 623 B9R1.2 CC1=CC(=NC=C1)OC M122668 [0,1,0,0,0,0|2,0,0]=3 624 B9R1.2 CC1=NC(=CC=C1)C#N C107723 [0,1,0,0,0,0|1,0,1]=3 625 B9R1.2 CC1=NC(=CC=C1)C=O M101568 [0,1,0,0,0,0|0,1,1]=3 626 B9R1.2 CC1=NC(=CC=C1)CBr B589873 [0,1,0,0,0,0|1,0,0]=2 627 B9R1.2 CC1=NC(=CC=C1)CCl C405541 [0,1,0,0,0,0|1,0,0]=2 628 B9R1.2 CC1=NC(=CC=C1)CN M194459 [0,1,0,0,0,0|1,0,0]=2 629 B9R1.2 CC1=NC(=CC=C1)CO M115780 [0,1,0,0,0,0|0,1,0]=2 630 B9R1.2 CC1=NC(=CC=C1)OC M108062 [0,1,0,0,0,0|2,0,0]=3 631 B9R1.2 CC1=NC(=NC=C1)SC M124713 [0,1,0,0,0,0|3,0,0]=4 632 B9R1.2 CC1=NC=CC(=C1)CO M573438 [0,1,0,0,0,0|2,1,0]=4 633 B9R1.2 CCC1=CC(=CC=C1)Br B101889 [0,1,0,0,0,0|2,0,0]=3 634 B9R1.2 CCC1=CC(=CC=C1)Cl C589677 [0,1,0,0,0,0|2,0,0]=3 635 B9R1.2 CCC1=CC(=CC=C1)I E587883 [0,1,0,0,0,0|2,0,0]=3 636 B9R1.2 CCC1=CC(=CC=C1)N E101873 [0,1,0,0,0,0|2,0,0]=3 637 B9R1.2 CCC1=CC(=CC=C1)O E156226 [0,1,0,0,0,0|2,0,0]=3 638 B9R1.2 CCC1=CC(=NC=C1)N A123353 [0,1,0,0,0,0|3,0,0]=4 639 B9R1.2 CCC1=CC=CC(=C1)C E113367 [0,1,0,0,0,0|2,0,0]=3 640 B9R1.2 CCC1=NC(=NC=C1)N E586542 [0,1,0,0,0,0|2,0,0]=3 641 B9R1.2 CC[N+]1=CC=CC(=C1)C E121235 [0,1,0,0,0,0|3,0,0]=4 642 B9R1.2 CC[N+]1=CC=CC(=C1)O E472644 [0,1,0,0,0,0|3,0,0]=4 643 B9R1.2 CNC1=CC(=CC=C1)Br B194483 [0,1,0,0,0,0|3,0,0]=4 644 B9R1.2 CNC1=CC(=CC=C1)Cl C153906 [0,1,0,0,0,0|3,0,0]=4 645 B9R1.2 CNC1=CC(=CC=C1)F F168315 [0,1,0,0,0,0|3,0,0]=4 646 B9R1.2 CNC1=CC(=CC=C1)O M587311 [0,1,0,0,0,0|3,0,0]=4 647 B9R1.2 CNC1=CC(=NC=N1)Cl C194437 [0,1,0,0,0,0|3,0,0]=4 648 B9R1.2 CNC1=NC(=CC=C1)Cl C195623 [0,1,0,0,0,0|2,0,0]=3 649 B9R1.2 COC1=CC(=CC=C1)Br B100846 [0,1,0,0,0,0|3,0,0]=4 650 B9R1.2 COC1=CC(=CC=C1)Cl C106486 [0,1,0,0,0,0|3,0,0]=4 651 B9R1.2 COC1=CC(=CC=C1)F F120587 [0,1,0,0,0,0|3,0,0]=4 652 B9R1.2 COC1=CC(=CC=C1)I I123674 [0,1,0,0,0,0|3,0,0]=4 653 B9R1.2 COC1=CC(=CC=C1)S M101779 [0,1,0,0,0,0|3,0,0]=4 654 B9R1.2 COC1=CC(=NC=N1)Cl C120232 [0,1,0,0,0,0|3,0,0]=4 655 B9R1.2 COC1=CC=CC(=C1)N A107482 [0,1,0,0,0,0|3,0,0]=4 656 B9R1.2 COC1=CC=CC(=C1)O M109432 [0,1,0,0,0,0|3,0,0]=4 657 B9R1.2 COC1=CC=CC(=C1)[CH2-] M300737 [0,1,0,0,0,0|3,0,0]=4 658 B9R1.2 COC1=CC=CC(=N1)N A119397 [0,1,0,0,0,0|2,0,0]=3 659 B9R1.2 COC1=NC(=CC=C1)Br B115753 [0,1,0,0,0,0|2,0,0]=3 660 B9R1.2 COC1=NC(=CC=C1)Cl C115751 [0,1,0,0,0,0|2,0,0]=3 661 B9R1.2 COC1=NC(=CC=C1)F F179764 [0,1,0,0,0,0|2,0,0]=3 662 B9R1.2 COC1=NC(=CC=C1)I I168070 [0,1,0,0,0,0|2,0,0]=3 663 B9R1.2 COC1=NC(=NC=C1)Cl C138524 [0,1,0,0,0,0|3,0,0]=4 664 B9R1.2 COC1=NC=CC(=C1)Br B178692 [0,1,0,0,0,0|2,0,0]=3 665 B9R1.2 COC1=NC=CC(=C1)Cl C186239 [0,1,0,0,0,0|2,0,0]=3 666 B9R1.2 COC1=NC=CC(=C1)N M119976 [0,1,0,0,0,0|2,0,0]=3 667 B9R1.2 COC1=NC=CC(=N1)N M176143 [0,1,0,0,0,0|3,0,0]=4 668 B9R1.2 COC1=NC=NC(=C1)N A333072 [0,1,0,0,0,0|3,0,0]=4 669 B9R1.2 CSC1=CC(=CC=C1)Br B101842 [0,1,0,0,0,0|3,0,0]=4 670 B9R1.2 CSC1=CC(=CC=C1)Cl C101839 [0,1,0,0,0,0|3,0,0]=4 671 B9R1.2 CSC1=CC(=NC=N1)Cl C136932 [0,1,0,0,0,0|3,0,0]=4 672 B9R1.2 CSC1=CC=CC(=C1)F F156685 [0,1,0,0,0,0|3,0,0]=4 673 B9R1.2 CSC1=CC=CC(=C1)N M101834 [0,1,0,0,0,0|3,0,0]=4 674 B9R1.2 CSC1=NC=CC(=N1)Cl C123212 [0,1,0,0,0,0|3,0,0]=4 675 B9R1.2 CSC1=NC=CC(=N1)N W135362 [0,1,0,0,0,0|3,0,0]=4 676 B9R1.2 CSC1=NC=CC(=O)N1 M139019 [0,1,0,0,0,0|3,0,0]=4 677 B9R1.2 [CH2-]C1=CC(=CC=C1)C#N C331829 [0,1,0,0,0,0|2,0,1]=4 678 B9R1.6 B(C1=CC=CC=C1)(Cl)Cl D155799 [0,1,0,0,0,0|3,0,0]=4 679 B9R1.6 B(C1=CC=CC=C1)(O)O P107045 [0,1,0,0,0,0|2,1,0]=4 680 B9R1.6 B(C1=CC=CC=C1)(O)O P168612 [0,1,0,0,0,0|2,1,0]=4 681 B9R1.6 B(C1=CC=CC=C1)(O)O P396095 [0,1,0,0,0,0|2,1,0]=4 682 B9R1.6 B(C1=CC=CC=N1)(O)O P123314 [0,1,0,0,0,0|1,1,0]=3 683 B9R1.6 C1=CC(=NN=C1)C(=O)O P168630 [0,1,0,0,0,0|1,1,1]=4 684 B9R1.6 C1=CC=C(C=C1)C(=N)N B100938 [0,1,0,0,0,0|2,0,1]=4 685 B9R1.6 C1=CC=C(C=C1)C(=N)N B100967 [0,1,0,0,0,0|2,0,1]=4 686 B9R1.6 C1=CC=C(C=C1)C(=N)N B349126 [0,1,0,0,0,0|2,0,1]=4 687 B9R1.6 C1=CC=C(C=C1)C(=N)N B422069 [0,1,0,0,0,0|2,0,1]=4 688 B9R1.6 C1=CC=C(C=C1)C(=O)Br B152056 [0,1,0,0,0,0|1,1,1]=4 689 B9R1.6 C1=CC=C(C=C1)C(=O)Cl B104565 [0,1,0,0,0,0|1,1,1]=4 690 B9R1.6 C1=CC=C(C=C1)C(=O)Cl B104566 [0,1,0,0,0,0|1,1,1]=4 691 B9R1.6 C1=CC=C(C=C1)C(=O)Cl B305868 [0,1,0,0,0,0|1,1,1]=4 692 B9R1.6 C1=CC=C(C=C1)C(=O)F B152051 [0,1,0,0,0,0|1,1,1]=4 693 B9R1.6 C1=CC=C(C=C1)C(=O)N B110551 [0,1,0,0,0,0|1,1,1]=4 694 B9R1.6 C1=CC=C(C=C1)C(=O)N B110552 [0,1,0,0,0,0|1,1,1]=4 695 B9R1.6 C1=CC=C(C=C1)C(=O)N B118608 [0,1,0,0,0,0|1,1,1]=4 696 B9R1.6 C1=CC=C(C=C1)C(=O)O B116254 [0,1,0,0,0,0|1,1,1]=4 697 B9R1.6 C1=CC=C(C=C1)C(=O)O B116255 [0,1,0,0,0,0|1,1,1]=4 698 B9R1.6 C1=CC=C(C=C1)C(=O)O B116256 [0,1,0,0,0,0|1,1,1]=4 699 B9R1.6 C1=CC=C(C=C1)C(=O)O B116259 [0,1,0,0,0,0|1,1,1]=4 700 B9R1.6 C1=CC=C(C=C1)C(=O)O B116260 [0,1,0,0,0,0|1,1,1]=4 701 B9R1.6 C1=CC=C(C=C1)C(=O)O B116262 [0,1,0,0,0,0|1,1,1]=4 702 B9R1.6 C1=CC=C(C=C1)C(=O)O B117657 [0,1,0,0,0,0|1,1,1]=4 703 B9R1.6 C1=CC=C(C=C1)C(=O)O B119541 [0,1,0,0,0,0|1,1,1]=4 704 B9R1.6 C1=CC=C(C=C1)C(=O)O B291747 [0,1,0,0,0,0|1,1,1]=4 705 B9R1.6 C1=CC=C(C=C1)C(=O)O B302170 [0,1,0,0,0,0|1,1,1]=4 706 B9R1.6 C1=CC=C(C=C1)C(=O)O B425323 [0,1,0,0,0,0|1,1,1]=4 707 B9R1.6 C1=CC=C(C=C1)C(=O)O B433248 [0,1,0,0,0,0|1,1,1]=4 708 B9R1.6 C1=CC=C(C=C1)C(=O)S T161810 [0,1,0,0,0,0|1,0,1]=3 709 B9R1.6 C1=CC=C(C=C1)C(=O)[O-] A112559 [0,1,0,0,0,0|1,1,1]=4 710 B9R1.6 C1=CC=C(C=C1)C(=O)[O-] A112561 [0,1,0,0,0,0|1,1,1]=4 711 B9R1.6 C1=CC=C(C=C1)C(=O)[O-] C347199 [0,1,0,0,0,0|1,1,1]=4 712 B9R1.6 C1=CC=C(C=C1)C(=O)[O-] C349185 [0,1,0,0,0,0|1,1,1]=4 713 B9R1.6 C1=CC=C(C=C1)C(=O)[O-] L102020 [0,1,0,0,0,0|1,1,1]=4 714 B9R1.6 C1=CC=C(C=C1)C(=O)[O-] P104052 [0,1,0,0,0,0|1,1,1]=4 715 B9R1.6 C1=CC=C(C=C1)C(=O)[O-] S104124 [0,1,0,0,0,0|1,1,1]=4 716 B9R1.6 C1=CC=C(C=C1)C(=O)[O-] S104125 [0,1,0,0,0,0|1,1,1]=4 717 B9R1.6 C1=CC=C(C=C1)C(=O)[O-] S104127 [0,1,0,0,0,0|1,1,1]=4 718 B9R1.6 C1=CC=C(C=C1)C(=O)[O-] S104128 [0,1,0,0,0,0|1,1,1]=4 719 B9R1.6 C1=CC=C(C=C1)C(=O)[O-] S124683 [0,1,0,0,0,0|1,1,1]=4 720 B9R1.6 C1=CC=C(C=C1)C(=O)[O-] S424558 [0,1,0,0,0,0|1,1,1]=4 721 B9R1.6 C1=CC=C(C=C1)C(=S)N T111125 [0,1,0,0,0,0|1,0,2]=4 722 B9R1.6 C1=CC=C(C=C1)C(Br)Br D300412 [0,1,0,0,0,0|2,0,0]=3 723 B9R1.6 C1=CC=C(C=C1)C(F)F D404169 [0,1,0,0,0,0|2,0,0]=3 724 B9R1.6 C1=CC=C(C=C1)P(Cl)Cl P103165 [0,1,0,0,0,0|3,0,0]=4 725 B9R1.6 C1=CC=C(C=C1)S(=O)O B589671 [0,1,0,0,0,0|2,1,0]=4 726 B9R1.6 C1=CC=C(C=C1)S(=O)[O-] B111697 [0,1,0,0,0,0|2,1,0]=4 727 B9R1.6 C1=CC=C(C=C1)S(=O)[O-] S131677 [0,1,0,0,0,0|2,1,0]=4 728 B9R1.6 C1=CC=C(C=C1)[N+](=O)[O-] N116216 [0,1,0,0,0,0|2,1,0]=4 729 B9R1.6 C1=CC=C(C=C1)[N+](=O)[O-] N116217 [0,1,0,0,0,0|2,1,0]=4 730 B9R1.6 C1=CC=C(C=C1)[N+](=O)[O-] N116219 [0,1,0,0,0,0|2,1,0]=4 731 B9R1.6 C1=CC=C(C=C1)[N+](=O)[O-] N116220 [0,1,0,0,0,0|2,1,0]=4 732 B9R1.6 C1=CC=C(C=C1)[N+](=O)[O-] N116222 [0,1,0,0,0,0|2,1,0]=4 733 B9R1.6 C1=CC=C(C=C1)[N+](=O)[O-] N123719 [0,1,0,0,0,0|2,1,0]=4 734 B9R1.6 C1=CC=C(C=C1)[N+](=O)[O-] N346210 [0,1,0,0,0,0|2,1,0]=4 735 B9R1.6 C1=CC=C(C=C1)[P+](=O)O P160701 [0,1,0,0,0,0|2,1,0]=4 736 B9R1.6 C1=CC=C(C=C1)[Se](=O)O B152925 [0,1,0,0,0,0|2,1,0]=4 737 B9R1.6 C1=CC=NC(=C1)C(=N)N A130010 [0,1,0,0,0,0|1,0,1]=3 738 B9R1.6 C1=CC=NC(=C1)C(=O)Cl P133422 [0,1,0,0,0,0|0,1,1]=3 739 B9R1.6 C1=CC=NC(=C1)C(=O)N P138238 [0,1,0,0,0,0|0,1,1]=3 740 B9R1.6 C1=CC=NC(=C1)C(=O)O D118689 [0,1,0,0,0,0|0,1,1]=3 741 B9R1.6 C1=CC=NC(=C1)C(=O)O P101920 [0,1,0,0,0,0|0,1,1]=3 742 B9R1.6 C1=CC=NC(=C1)C(=O)O P160049 [0,1,0,0,0,0|0,1,1]=3 743 B9R1.6 C1=CC=NC(=C1)C(=O)[O-] C101910 [0,1,0,0,0,0|0,1,1]=3 744 B9R1.6 C1=CC=NC(=C1)C(=O)[O-] C421694 [0,1,0,0,0,0|0,1,1]=3 745 B9R1.6 C1=CC=NC(=C1)C(F)F D166109 [0,1,0,0,0,0|1,0,0]=2 746 B9R1.6 C1=CC=NC(=C1)S(=O)[O-] S404833 [0,1,0,0,0,0|1,1,0]=3 747 B9R1.6 C1=CC=NC(=C1)[N+](=O)[O-] N167434 [0,1,0,0,0,0|1,1,0]=3 748 B9R1.6 C1=CN=C(C=N1)C(=N)N P344029 [0,1,0,0,0,0|2,0,1]=4 749 B9R1.6 C1=CN=C(C=N1)C(=O)N P129219 [0,1,0,0,0,0|1,1,1]=4 750 B9R1.6 C1=CN=C(C=N1)C(=O)O P106883 [0,1,0,0,0,0|1,1,1]=4 751 B9R1.6 C1=CN=C(C=N1)C(=S)N P170458 [0,1,0,0,0,0|1,0,2]=4 752 B9R1.6 C1=CN=C(N=C1)C(=N)N A189006 [0,1,0,0,0,0|2,0,1]=4 753 B9R1.6 C1=CN=C(N=C1)C(=O)O P120474 [0,1,0,0,0,0|1,1,1]=4 754 B9R1.6 C1=CN=CN=C1C(=O)O P133791 [0,1,0,0,0,0|1,1,1]=4 755 B9R1.6 C=C(C1=CC=CC=C1)Br A189239 [0,1,0,0,0,0|2,0,1]=4 756 B9R1.6 CC(=C)C1=CC=CC=C1 M104900 [0,1,0,0,0,0|2,0,1]=4 757 B9R1.6 CC(=C)C1=CC=CC=C1 M104901 [0,1,0,0,0,0|2,0,1]=4 758 B9R1.6 CC(=C)C1=CC=CC=C1 P347730 [0,1,0,0,0,0|2,0,1]=4 759 B9R1.6 CC(=C)C1=CC=CC=C1 P491419 [0,1,0,0,0,0|2,0,1]=4 760 B9R1.6 CC(=O)C1=CC=CC=C1 A103666 [0,1,0,0,0,0|1,1,1]=4 761 B9R1.6 CC(=O)C1=CC=CC=C1 A103667 [0,1,0,0,0,0|1,1,1]=4 762 B9R1.6 CC(=O)C1=CC=CC=C1 A103669 [0,1,0,0,0,0|1,1,1]=4 763 B9R1.6 CC(=O)C1=CC=CC=C1 A427211 [0,1,0,0,0,0|1,1,1]=4 764 B9R1.6 CC(=O)C1=CC=CC=C1 A471960 [0,1,0,0,0,0|1,1,1]=4 765 B9R1.6 CC(=O)C1=CC=CC=C1 A474131 [0,1,0,0,0,0|1,1,1]=4 766 B9R1.6 CC(=O)C1=CC=CC=C1 A474138 [0,1,0,0,0,0|1,1,1]=4 767 B9R1.6 CC(=O)C1=CC=CC=N1 A106232 [0,1,0,0,0,0|0,1,1]=3 768 B9R1.6 CC(=O)C1=CC=CC=N1 A106233 [0,1,0,0,0,0|0,1,1]=3 769 B9R1.6 CC(=O)C1=NC=CC=N1 P176709 [0,1,0,0,0,0|1,1,1]=4 770 B9R1.6 CC(=O)C1=NC=CN=C1 A100996 [0,1,0,0,0,0|1,1,1]=4 771 B9R1.6 CC(C)C1=CC=CC=C1 I101049 [0,1,0,0,0,0|2,0,0]=3 772 B9R1.6 CC(C)C1=CC=CC=C1 I101050 [0,1,0,0,0,0|2,0,0]=3 773 B9R1.6 CC(C)C1=CC=CC=C1 I101052 [0,1,0,0,0,0|2,0,0]=3 774 B9R1.6 CC(C)C1=CC=CC=N1 I177046 [0,1,0,0,0,0|1,0,0]=2 775 B9R1.6 CC(C)C1=CC=NC=C1 I136834 [0,1,0,0,0,0|3,0,0]=4 776 B9R1.6 CC(C1=CC=CC=C1)Br B104540 [0,1,0,0,0,0|2,0,0]=3 777 B9R1.6 CC(C1=CC=CC=C1)Cl C107586 [0,1,0,0,0,0|2,0,0]=3 778 B9R1.6 CC(C1=CC=CC=C1)N M105678 [0,1,0,0,0,0|2,0,0]=3 779 B9R1.6 CC(C1=CC=CC=C1)N M105679 [0,1,0,0,0,0|2,0,0]=3 780 B9R1.6 CC(C1=CC=CC=C1)N M106714 [0,1,0,0,0,0|2,0,0]=3 781 B9R1.6 CC(C1=CC=CC=C1)N M141280 [0,1,0,0,0,0|2,0,0]=3 782 B9R1.6 CC(C1=CC=CC=C1)N R432669 [0,1,0,0,0,0|2,0,0]=3 783 B9R1.6 CC(C1=CC=CC=C1)N R432670 [0,1,0,0,0,0|2,0,0]=3 784 B9R1.6 CC(C1=CC=CC=C1)N R432682 [0,1,0,0,0,0|2,0,0]=3 785 B9R1.6 CC(C1=CC=CC=C1)N S135224 [0,1,0,0,0,0|2,0,0]=3 786 B9R1.6 CC(C1=CC=CC=C1)N S432505 [0,1,0,0,0,0|2,0,0]=3 787 B9R1.6 CC(C1=CC=CC=C1)O P100878 [0,1,0,0,0,0|1,1,0]=3 788 B9R1.6 CC(C1=CC=CC=C1)O P103660 [0,1,0,0,0,0|1,1,0]=3 789 B9R1.6 CC(C1=CC=CC=C1)O P113820 [0,1,0,0,0,0|1,1,0]=3 790 B9R1.6 CC(C1=CC=CC=C1)O P165285 [0,1,0,0,0,0|1,1,0]=3 791 B9R1.6 CC(C1=CC=CC=N1)N P589080 [0,1,0,0,0,0|1,0,0]=2 792 B9R1.6 CC(C1=CC=CC=N1)O P191765 [0,1,0,0,0,0|0,1,0]=2 793 B9R1.6 CC(C1=CC=CC=N1)O R404547 [0,1,0,0,0,0|0,1,0]=2 794 B9R1.6 CC(C1=CC=CC=N1)O S161029 [0,1,0,0,0,0|0,1,0]=2 795 B9R1.6 CC(C1=CC=NC=C1)N A467309 [0,1,0,0,0,0|3,0,0]=4 796 B9R1.6 CC(C1=CC=NC=C1)O I170921 [0,1,0,0,0,0|2,1,0]=4 797 B9R1.6 CC(C1=CC=NC=C1)O R192493 [0,1,0,0,0,0|2,1,0]=4 798 B9R1.6 CC(C1=CN=CC=C1)N P193948 [0,1,0,0,0,0|3,0,0]=4 799 B9R1.6 CN(C)C1=CC=CC=C1 D100060 [0,1,0,0,0,0|3,0,0]=4 800 B9R1.6 CN(C)C1=CC=CC=C1 D100061 [0,1,0,0,0,0|3,0,0]=4 801 B9R1.6 CN(C)C1=CC=CC=C1 D100063 [0,1,0,0,0,0|3,0,0]=4 802 B9R1.6 CN(C)C1=CC=CC=N1 D154133 [0,1,0,0,0,0|2,0,0]=3 803 B9R1.6 CN(C1=CC=CC=C1)N M298692 [0,1,0,0,0,0|3,0,0]=4 804 B9R1.6 CP(C)C1=CC=CC=C1 C118698 [0,1,0,0,0,0|3,0,0]=4 805 B9R1.6 CP(C)C1=CC=CC=C1 D115603 [0,1,0,0,0,0|3,0,0]=4 806 B9R1.6 CS(=O)C1=CC=CC=C1 M158079 [0,1,0,0,0,0|2,1,0]=4 807 B9R1.6 CS(=O)C1=CC=CC=C1 M464276 [0,1,0,0,0,0|2,1,0]=4 808 B9R1.6 C[Si](=O)C1=CC=CC=C1 P331251 [0,1,0,0,0,0|1,2,0]=4 809 B9R1.6 C[Si](C)C1=CC=CC=C1 D111809 [0,1,0,0,0,0|2,1,0]=4 810 B9R1.6 C[Si](C)C1=CC=CC=N1 D331179 [0,1,0,0,0,0|1,1,0]=3 811 B9R1.6 NC(=O)C1=NC=CN=C1 P408463 [0,1,0,0,0,0|1,1,1]=4 812 B9R1.8 C1=CC(=CN=C1)CC#N P137656 [0,1,0,0,0,0|3,0,0]=4 813 B9R1.8 C1=CC(=CN=C1)CCN A151786 [0,1,0,0,0,0|3,0,0]=4 814 B9R1.8 C1=CC(=CN=C1)CCN A169450 [0,1,0,0,0,0|3,0,0]=4 815 B9R1.8 C1=CC=C(C=C1)C#CBr B464040 [0,1,0,0,0,0|2,0,1]=4 816 B9R1.8 C1=CC=C(C=C1)C#CCl C464026 [0,1,0,0,0,0|2,0,1]=4 817 B9R1.8 C1=CC=C(C=C1)C=CBr B152003 [0,1,0,0,0,0|2,0,1]=4 818 B9R1.8 C1=CC=C(C=C1)C=NN B589372 [0,1,0,0,0,0|2,0,1]=4 819 B9R1.8 C1=CC=C(C=C1)C=NO T135657 [0,1,0,0,0,0|1,1,1]=4 820 B9R1.8 C1=CC=C(C=C1)CC=O P105078 [0,1,0,0,0,0|1,1,0]=3 821 B9R1.8 C1=CC=C(C=C1)CC=O P105080 [0,1,0,0,0,0|1,1,0]=3 822 B9R1.8 C1=CC=C(C=C1)CC=O P420978 [0,1,0,0,0,0|1,1,0]=3 823 B9R1.8 C1=CC=C(C=C1)CCBr B106895 [0,1,0,0,0,0|2,0,0]=3 824 B9R1.8 C1=CC=C(C=C1)CCCl C136679 [0,1,0,0,0,0|2,0,0]=3 825 B9R1.8 C1=CC=C(C=C1)CCI I138375 [0,1,0,0,0,0|2,0,0]=3 826 B9R1.8 C1=CC=C(C=C1)CCN P105641 [0,1,0,0,0,0|2,0,0]=3 827 B9R1.8 C1=CC=C(C=C1)CCN P160641 [0,1,0,0,0,0|2,0,0]=3 828 B9R1.8 C1=CC=C(C=C1)CCN P290339 [0,1,0,0,0,0|2,0,0]=3 829 B9R1.8 C1=CC=C(C=C1)CCN P408003 [0,1,0,0,0,0|2,0,0]=3 830 B9R1.8 C1=CC=C(C=C1)CCN P421867 [0,1,0,0,0,0|2,0,0]=3 831 B9R1.8 C1=CC=C(C=C1)CCN P425250 [0,1,0,0,0,0|2,0,0]=3 832 B9R1.8 C1=CC=C(C=C1)CCN P491880 [0,1,0,0,0,0|2,0,0]=3 833 B9R1.8 C1=CC=C(C=C1)CCN P493037 [0,1,0,0,0,0|2,0,0]=3 834 B9R1.8 C1=CC=C(C=C1)CCN P493125 [0,1,0,0,0,0|2,0,0]=3 835 B9R1.8 C1=CC=C(C=C1)CCO P108195 [0,1,0,0,0,0|1,1,0]=3 836 B9R1.8 C1=CC=C(C=C1)CCO P108197 [0,1,0,0,0,0|1,1,0]=3 837 B9R1.8 C1=CC=C(C=C1)CCO P424995 [0,1,0,0,0,0|1,1,0]=3 838 B9R1.8 C1=CC=C(C=C1)CCS P160530 [0,1,0,0,0,0|1,0,0]=2 839 B9R1.8 C1=CC=C(C=C1)CNN B122576 [0,1,0,0,0,0|2,0,0]=3 840 B9R1.8 C1=CC=C(C=C1)CNN B137990 [0,1,0,0,0,0|2,0,0]=3 841 B9R1.8 C1=CC=C(C=C1)CNN B464175 [0,1,0,0,0,0|2,0,0]=3 842 B9R1.8 C1=CC=C(C=C1)CNO I137166 [0,1,0,0,0,0|1,1,0]=3 843 B9R1.8 C1=CC=C(C=C1)CON O159948 [0,1,0,0,0,0|1,1,0]=3 844 B9R1.8 C1=CC=C(C=C1)CON O189173 [0,1,0,0,0,0|1,1,0]=3 845 B9R1.8 C1=CC=C(C=C1)N=C=O P304914 [0,1,0,0,0,0|1,1,1]=4 846 B9R1.8 C1=CC=C(C=C1)N=C=S P110634 [0,1,0,0,0,0|1,0,2]=4 847 B9R1.8 C1=CC=C(C=C1)N=C=S P110635 [0,1,0,0,0,0|1,0,2]=4 848 B9R1.8 C1=CC=C(C=C1)N=C=S P110636 [0,1,0,0,0,0|1,0,2]=4 849 B9R1.8 C1=CC=C(C=C1)N=S=O N159148 [0,1,0,0,0,0|2,0,1]=4 850 B9R1.8 C1=CC=C(C=C1)N=[N+]=[N-] A462925 [0,1,0,0,0,0|3,0,0]=4 851 B9R1.8 C1=CC=C(C=C1)NC=O F112354 [0,1,0,0,0,0|1,1,1]=4 852 B9R1.8 C1=CC=C(C=C1)OC=O P305264 [0,1,0,0,0,0|1,1,1]=4 853 B9R1.8 C1=CC=C(C=C1)SCCl C101827 [0,1,0,0,0,0|2,0,0]=3 854 B9R1.8 C1=CC=C(C=C1)[Se]C#N P168654 [0,1,0,0,0,0|2,0,1]=4 855 B9R1.8 C1=CC=NC(=C1)C=NO P160056 [0,1,0,0,0,0|0,1,1]=3 856 B9R1.8 C1=CC=NC(=C1)CC#N P160781 [0,1,0,0,0,0|1,0,0]=2 857 B9R1.8 C1=CC=NC(=C1)CCBr B186289 [0,1,0,0,0,0|1,0,0]=2 858 B9R1.8 C1=CC=NC(=C1)CCN A151790 [0,1,0,0,0,0|1,0,0]=2 859 B9R1.8 C1=CC=NC(=C1)CCO P160791 [0,1,0,0,0,0|0,1,0]=2 860 B9R1.8 C1=CC=[N+](C=C1)CC#N C154126 [0,1,0,0,0,0|3,0,0]=4 861 B9R1.8 C1=CN=C(C=N1)CCS M103122 [0,1,0,0,0,0|1,0,0]=2 862 B9R1.8 C1=CN=CC=C1CC#N D302357 [0,1,0,0,0,0|3,0,0]=4 863 B9R1.8 C1=CN=CC=C1CC#N P304979 [0,1,0,0,0,0|3,0,0]=4 864 B9R1.8 C1=CN=CC=C1CCN A109738 [0,1,0,0,0,0|3,0,0]=4 865 B9R1.8 C1=CN=CC=C1CCS P134707 [0,1,0,0,0,0|2,0,0]=3 866 B9R1.8 C1=CN=CC=C1CCS P478833 [0,1,0,0,0,0|2,0,0]=3 867 B9R1.8 C=CCC1=CC=CC=C1 A101037 [0,1,0,0,0,0|2,0,0]=3 868 B9R1.8 C=CSC1=CC=CC=C1 P101810 [0,1,0,0,0,0|2,0,1]=4 869 B9R1.8 C=C[CH-]C1=CC=CC=C1 P129181 [0,1,0,0,0,0|2,0,1]=4 870 B9R1.8 CC#CC1=CC=CC=C1 P141240 [0,1,0,0,0,0|2,0,1]=4 871 B9R1.8 CC=CC1=CC=CC=C1 C153576 [0,1,0,0,0,0|2,0,1]=4 872 B9R1.8 CC=CC1=CC=CC=C1 M136687 [0,1,0,0,0,0|2,0,1]=4 873 B9R1.8 CC=CC1=CC=CC=C1 T134052 [0,1,0,0,0,0|2,0,1]=4 874 B9R1.8 CC=CC1=CC=CC=C1 T301941 [0,1,0,0,0,0|2,0,1]=4 875 B9R1.8 CCCC1=CC=CC=C1 P104621 [0,1,0,0,0,0|2,0,0]=3 876 B9R1.8 CCCC1=CC=CC=C1 P104624 [0,1,0,0,0,0|2,0,0]=3 877 B9R1.8 CCCC1=CC=CC=C1 P104625 [0,1,0,0,0,0|2,0,0]=3 878 B9R1.8 CCCC1=CC=CC=C1 P104626 [0,1,0,0,0,0|2,0,0]=3 879 B9R1.8 CCCC1=CC=CC=C1 P128158 [0,1,0,0,0,0|2,0,0]=3 880 B9R1.8 CCCC1=CC=CC=N1 P160637 [0,1,0,0,0,0|1,0,0]=2 881 B9R1.8 CCCC1=CC=NC=C1 P160632 [0,1,0,0,0,0|3,0,0]=4 882 B9R1.8 CCCC1=NC=CN=C1 P132679 [0,1,0,0,0,0|2,0,0]=3 883 B9R1.8 CCC[N+]1=CC=CC=C1 P404861 [0,1,0,0,0,0|3,0,0]=4 884 B9R1.8 CCNC1=CC=CC=C1 E103974 [0,1,0,0,0,0|2,0,0]=3 885 B9R1.8 CCOC1=CC=CC=C1 E108654 [0,1,0,0,0,0|2,0,0]=3 886 B9R1.8 CCOC1=CC=CC=C1 E108655 [0,1,0,0,0,0|2,0,0]=3 887 B9R1.8 CCOC1=CC=CC=N1 E137467 [0,1,0,0,0,0|1,0,0]=2 888 B9R1.8 CCOC1=NC=CN=C1 E136587 [0,1,0,0,0,0|2,0,0]=3 889 B9R1.8 CCSC1=CC=CC=C1 E101809 [0,1,0,0,0,0|2,0,0]=3 890 B9R1.8 CNCC1=CC=CC=C1 B106919 [0,1,0,0,0,0|2,0,0]=3 891 B9R1.8 CNCC1=CC=CC=N1 M168526 [0,1,0,0,0,0|1,0,0]=2 892 B9R1.8 CNCC1=CN=CC=C1 M138441 [0,1,0,0,0,0|3,0,0]=4 893 B9R1.8 COCC1=CC=CC=C1 B103161 [0,1,0,0,0,0|1,1,0]=3 894 B9R1.8 COCC1=CC=CC=C1 B591251 [0,1,0,0,0,0|1,1,0]=3 895 B9R1.8 CSCC1=CC=CC=C1 B152510 [0,1,0,0,0,0|1,0,0]=2 896 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 B153177 [0,1,0,0,0,0|2,0,0]=3 897 B9R1.15 C#CC1=CC=CC=C1Br B405186 [0,1,0,0,0,0|2,0,1]=4 898 B9R1.15 C#CC1=CC=CC=C1Cl W134592 [0,1,0,0,0,0|2,0,1]=4 899 B9R1.15 C#CC1=CC=CC=C1F E135295 [0,1,0,0,0,0|2,0,1]=4 900 B9R1.15 C#CC1=CC=CC=C1N E176686 [0,1,0,0,0,0|2,0,1]=4 901 B9R1.15 C#CC1=NC=CN=C1N A178706 [0,1,0,0,0,0|2,0,1]=4 902 B9R1.15 C1=CC(=C(N=C1)Br)CBr B123443 [0,1,0,0,0,0|3,0,0]=4 903 B9R1.15 C1=CC(=C(N=C1)Br)CO B151848 [0,1,0,0,0,0|2,1,0]=4 904 B9R1.15 C1=CC(=C(N=C1)C#N)Br B119398 [0,1,0,0,0,0|1,0,1]=3 905 B9R1.15 C1=CC(=C(N=C1)C#N)Cl C122677 [0,1,0,0,0,0|1,0,1]=3 906 B9R1.15 C1=CC(=C(N=C1)C#N)F F178583 [0,1,0,0,0,0|1,0,1]=3 907 B9R1.15 C1=CC(=C(N=C1)C#N)O C139454 [0,1,0,0,0,0|1,0,1]=3 908 B9R1.15 C1=CC(=C(N=C1)C=O)Br B482551 [0,1,0,0,0,0|0,1,1]=3 909 B9R1.15 C1=CC(=C(N=C1)C=O)Cl C182663 [0,1,0,0,0,0|0,1,1]=3 910 B9R1.15 C1=CC(=C(N=C1)C=O)F F121803 [0,1,0,0,0,0|0,1,1]=3 911 B9R1.15 C1=CC(=C(N=C1)C=O)O H175252 [0,1,0,0,0,0|0,1,1]=3 912 B9R1.15 C1=CC(=C(N=C1)CCl)Br B180455 [0,1,0,0,0,0|1,0,0]=2 913 B9R1.15 C1=CC(=C(N=C1)CO)Br B184967 [0,1,0,0,0,0|0,1,0]=2 914 B9R1.15 C1=CC(=C(N=C1)CO)F F176083 [0,1,0,0,0,0|0,1,0]=2 915 B9R1.15 C1=CC(=C(N=C1)Cl)CO C154080 [0,1,0,0,0,0|2,1,0]=4 916 B9R1.15 C1=CC(=C(N=C1)N)CO A119400 [0,1,0,0,0,0|2,1,0]=4 917 B9R1.15 C1=CC(=C(N=C1)NN)Cl C182994 [0,1,0,0,0,0|2,0,0]=3 918 B9R1.15 C1=CC=C(C(=C1)C#N)Br B113773 [0,1,0,0,0,0|2,0,1]=4 919 B9R1.15 C1=CC=C(C(=C1)C#N)Cl C105958 [0,1,0,0,0,0|2,0,1]=4 920 B9R1.15 C1=CC=C(C(=C1)C#N)F F120868 [0,1,0,0,0,0|2,0,1]=4 921 B9R1.15 C1=CC=C(C(=C1)C#N)I I103576 [0,1,0,0,0,0|2,0,1]=4 922 B9R1.15 C1=CC=C(C(=C1)C#N)I I130037 [0,1,0,0,0,0|2,0,1]=4 923 B9R1.15 C1=CC=C(C(=C1)C#N)N A107481 [0,1,0,0,0,0|2,0,1]=4 924 B9R1.15 C1=CC=C(C(=C1)C#N)O H103175 [0,1,0,0,0,0|2,0,1]=4 925 B9R1.15 C1=CC=C(C(=C1)C=O)Br B109684 [0,1,0,0,0,0|1,1,1]=4 926 B9R1.15 C1=CC=C(C(=C1)C=O)Cl C108294 [0,1,0,0,0,0|1,1,1]=4 927 B9R1.15 C1=CC=C(C(=C1)C=O)Cl C108295 [0,1,0,0,0,0|1,1,1]=4 928 B9R1.15 C1=CC=C(C(=C1)C=O)Cl C108296 [0,1,0,0,0,0|1,1,1]=4 929 B9R1.15 C1=CC=C(C(=C1)C=O)F F107119 [0,1,0,0,0,0|1,1,1]=4 930 B9R1.15 C1=CC=C(C(=C1)C=O)I I124157 [0,1,0,0,0,0|1,1,1]=4 931 B9R1.15 C1=CC=C(C(=C1)C=O)N A100686 [0,1,0,0,0,0|1,1,1]=4 932 B9R1.15 C1=CC=C(C(=C1)C=O)O S103742 [0,1,0,0,0,0|1,1,1]=4 933 B9R1.15 C1=CC=C(C(=C1)C=O)O S103743 [0,1,0,0,0,0|1,1,1]=4 934 B9R1.15 C1=CC=C(C(=C1)C=O)O S103745 [0,1,0,0,0,0|1,1,1]=4 935 B9R1.15 C1=CC=C(C(=C1)C=O)O S103746 [0,1,0,0,0,0|1,1,1]=4 936 B9R1.15 C1=CC=C(C(=C1)CBr)Br B124758 [0,1,0,0,0,0|2,0,0]=3 937 B9R1.15 C1=CC=C(C(=C1)CBr)Cl C135217 [0,1,0,0,0,0|2,0,0]=3 938 B9R1.15 C1=CC=C(C(=C1)CBr)F F107111 [0,1,0,0,0,0|2,0,0]=3 939 B9R1.15 C1=CC=C(C(=C1)CBr)I I101707 [0,1,0,0,0,0|2,0,0]=3 940 B9R1.15 C1=CC=C(C(=C1)CBr)I I131028 [0,1,0,0,0,0|2,0,0]=3 941 B9R1.15 C1=CC=C(C(=C1)CCl)Cl C136424 [0,1,0,0,0,0|2,0,0]=3 942 B9R1.15 C1=CC=C(C(=C1)CCl)F F104448 [0,1,0,0,0,0|2,0,0]=3 943 B9R1.15 C1=CC=C(C(=C1)CCl)I I472524 [0,1,0,0,0,0|2,0,0]=3 944 B9R1.15 C1=CC=C(C(=C1)CN)Br B136382 [0,1,0,0,0,0|2,0,0]=3 945 B9R1.15 C1=CC=C(C(=C1)CN)Br B184269 [0,1,0,0,0,0|2,0,0]=3 946 B9R1.15 C1=CC=C(C(=C1)CN)Cl C100661 [0,1,0,0,0,0|2,0,0]=3 947 B9R1.15 C1=CC=C(C(=C1)CN)Cl C298505 [0,1,0,0,0,0|2,0,0]=3 948 B9R1.15 C1=CC=C(C(=C1)CN)F F122768 [0,1,0,0,0,0|2,0,0]=3 949 B9R1.15 C1=CC=C(C(=C1)CN)O A195905 [0,1,0,0,0,0|2,0,0]=3 950 B9R1.15 C1=CC=C(C(=C1)CO)Br B135325 [0,1,0,0,0,0|1,1,0]=3 951 B9R1.15 C1=CC=C(C(=C1)CO)Cl C101747 [0,1,0,0,0,0|1,1,0]=3 952 B9R1.15 C1=CC=C(C(=C1)CO)F F156600 [0,1,0,0,0,0|1,1,0]=3 953 B9R1.15 C1=CC=C(C(=C1)CO)I I157441 [0,1,0,0,0,0|1,1,0]=3 954 B9R1.15 C1=CC=C(C(=C1)CO)N A151122 [0,1,0,0,0,0|1,1,0]=3 955 B9R1.15 C1=CC=C(C(=C1)CO)O H106789 [0,1,0,0,0,0|1,1,0]=3 956 B9R1.15 C1=CC=C(C(=C1)CO)O H426756 [0,1,0,0,0,0|1,1,0]=3 957 B9R1.15 C1=CC=C(C(=C1)CS)Br B101794 [0,1,0,0,0,0|1,0,0]=2 958 B9R1.15 C1=CC=C(C(=C1)CS)Cl C101788 [0,1,0,0,0,0|1,0,0]=2 959 B9R1.15 C1=CC=C(C(=C1)NN)Br B101712 [0,1,0,0,0,0|3,0,0]=4 960 B9R1.15 C1=CC=C(C(=C1)NN)Cl C106485 [0,1,0,0,0,0|3,0,0]=4 961 B9R1.15 C1=CC=C(C(=C1)NN)F F101710 [0,1,0,0,0,0|3,0,0]=4 962 B9R1.15 C1=CN=C(C(=N1)C#N)N A192366 [0,1,0,0,0,0|2,0,1]=4 963 B9R1.15 C1=CN=C(C(=N1)C=O)N A176139 [0,1,0,0,0,0|1,1,1]=4 964 B9R1.15 C1=CN=CC(=C1CO)Br B132477 [0,1,0,0,0,0|2,1,0]=4 965 B9R1.15 C1=CN=CC(=C1CO)F F177786 [0,1,0,0,0,0|2,1,0]=4 966 B9R1.15 C1=CN=CC(=C1CO)N A167487 [0,1,0,0,0,0|2,1,0]=4 967 B9R1.15 C1=CN=CC(=C1Cl)CO C587861 [0,1,0,0,0,0|2,1,0]=4 968 B9R1.15 C1=CN=CC(=C1N)CO A167140 [0,1,0,0,0,0|2,1,0]=4 969 B9R1.15 C1=CNC(=O)C(=C1)CO H176459 [0,1,0,0,0,0|2,1,0]=4 970 B9R1.15 C=CC1=CC=CC=C1Br B102182 [0,1,0,0,0,0|2,0,1]=4 971 B9R1.15 C=CC1=CC=CC=C1Br B140775 [0,1,0,0,0,0|2,0,1]=4 972 B9R1.15 C=CC1=CC=CC=C1Cl C121721 [0,1,0,0,0,0|2,0,1]=4 973 B9R1.15 C=CC1=CC=CC=C1Cl C492343 [0,1,0,0,0,0|2,0,1]=4 974 B9R1.15 C=CC1=CC=CC=C1F F121723 [0,1,0,0,0,0|2,0,1]=4 975 B9R1.15 C=CC1=CC=CC=C1F F398479 [0,1,0,0,0,0|2,0,1]=4 976 B9R1.15 C=CC1=CC=CC=C1N V303619 [0,1,0,0,0,0|2,0,1]=4 977 B9R1.15 CC1=C(C=CC=N1)CO W136400 [0,1,0,0,0,0|2,1,0]=4 978 B9R1.15 CC1=C(N=CC=C1)C#N C108042 [0,1,0,0,0,0|1,0,1]=3 979 B9R1.15 CC1=C(N=CC=C1)C=O M120655 [0,1,0,0,0,0|0,1,1]=3 980 B9R1.15 CC1=C(N=CC=C1)CN A482619 [0,1,0,0,0,0|1,0,0]=2 981 B9R1.15 CC1=CC=CC=C1C#C E117998 [0,1,0,0,0,0|2,0,1]=4 982 B9R1.15 CC1=CC=CC=C1C#N T103037 [0,1,0,0,0,0|2,0,1]=4 983 B9R1.15 CC1=CC=CC=C1C=C M100795 [0,1,0,0,0,0|2,0,1]=4 984 B9R1.15 CC1=CC=CC=C1C=O O159892 [0,1,0,0,0,0|1,1,1]=4 985 B9R1.15 CC1=CC=CC=C1CBr M139409 [0,1,0,0,0,0|2,0,0]=3 986 B9R1.15 CC1=CC=CC=C1CCl M101671 [0,1,0,0,0,0|2,0,0]=3 987 B9R1.15 CC1=CC=CC=C1CN M158667 [0,1,0,0,0,0|2,0,0]=3 988 B9R1.15 CC1=CC=CC=C1CO M157901 [0,1,0,0,0,0|1,1,0]=3 989 B9R1.15 CC1=CC=CC=C1CS M300495 [0,1,0,0,0,0|1,0,0]=2 990 B9R1.15 CC1=CC=CC=C1NC N159021 [0,1,0,0,0,0|3,0,0]=4 991 B9R1.15 CC1=CC=CC=C1NN T101278 [0,1,0,0,0,0|3,0,0]=4 992 B9R1.15 CC1=CC=CC=C1OC M158113 [0,1,0,0,0,0|3,0,0]=4 993 B9R1.15 CC1=NC=CN=C1CO M174600 [0,1,0,0,0,0|1,1,0]=3 994 B9R1.15 CC1=NC=CN=C1OC M102551 [0,1,0,0,0,0|3,0,0]=4 995 B9R1.15 CC1=NC=CN=C1SC M102553 [0,1,0,0,0,0|3,0,0]=4 996 B9R1.15 CCC1=CC=CC=C1Br B138432 [0,1,0,0,0,0|2,0,0]=3 997 B9R1.15 CCC1=CC=CC=C1C E140581 [0,1,0,0,0,0|2,0,0]=3 998 B9R1.15 CCC1=CC=CC=C1I E189052 [0,1,0,0,0,0|2,0,0]=3 999 B9R1.15 CCC1=CC=CC=C1N E106226 [0,1,0,0,0,0|2,0,0]=3 1000 B9R1.15 CCC1=CC=CC=C1O E156225 [0,1,0,0,0,0|2,0,0]=3 1001 B9R1.15 CCC1=CC=CC=C1S E101792 [0,1,0,0,0,0|2,0,0]=3 1002 B9R1.15 CCC1=NC=CN=C1C E105685 [0,1,0,0,0,0|2,0,0]=3 1003 B9R1.15 CCC1=NC=NC=C1F E173725 [0,1,0,0,0,0|2,0,0]=3 1004 B9R1.15 CC[N+]1=CC=CC=C1C E303437 [0,1,0,0,0,0|3,0,0]=4 1005 B9R1.15 CNC1=C(C=CC=N1)N N589280 [0,1,0,0,0,0|2,0,0]=3 1006 B9R1.15 CNC1=CC=CC=C1Br B186004 [0,1,0,0,0,0|3,0,0]=4 1007 B9R1.15 CNC1=CC=CC=C1Cl C153908 [0,1,0,0,0,0|3,0,0]=4 1008 B9R1.15 CNC1=CC=CC=C1F F132815 [0,1,0,0,0,0|3,0,0]=4 1009 B9R1.15 CNC1=CC=CC=C1N I134172 [0,1,0,0,0,0|3,0,0]=4 1010 B9R1.15 CNC1=CC=CC=C1N M106013 [0,1,0,0,0,0|3,0,0]=4 1011 B9R1.15 CNC1=CC=CC=C1O M194184 [0,1,0,0,0,0|3,0,0]=4 1012 B9R1.15 COC1=C(C=CC=N1)Br B120788 [0,1,0,0,0,0|2,0,0]=3 1013 B9R1.15 COC1=C(C=CC=N1)Cl C153781 [0,1,0,0,0,0|2,0,0]=3 1014 B9R1.15 COC1=C(C=CC=N1)F F195529 [0,1,0,0,0,0|2,0,0]=3 1015 B9R1.15 COC1=C(C=CC=N1)I l102600 [0,1,0,0,0,0|2,0,0]=3 1016 B9R1.15 COC1=C(C=CC=N1)N M102591 [0,1,0,0,0,0|2,0,0]=3 1017 B9R1.15 COC1=C(C=CC=N1)O M587025 [0,1,0,0,0,0|2,0,0]=3 1018 B9R1.15 COC1=CC=CC=C1Br B109257 [0,1,0,0,0,0|3,0,0]=4 1019 B9R1.15 COC1=CC=CC=C1Cl C110652 [0,1,0,0,0,0|3,0,0]=4 1020 B9R1.15 COC1=CC=CC=C1F F120586 [0,1,0,0,0,0|3,0,0]=4 1021 B9R1.15 COC1=CC=CC=C1I I101929 [0,1,0,0,0,0|3,0,0]=4 1022 B9R1.15 COC1=CC=CC=C1N A103995 [0,1,0,0,0,0|3,0,0]=4 1023 B9R1.15 COC1=CC=CC=C1N A103997 [0,1,0,0,0,0|3,0,0]=4 1024 B9R1.15 COC1=CC=CC=C1N A141230 [0,1,0,0,0,0|3,0,0]=4 1025 B9R1.15 COC1=CC=CC=C1N O160024 [0,1,0,0,0,0|3,0,0]=4 1026 B9R1.15 COC1=CC=CC=C1O G112735 [0,1,0,0,0,0|3,0,0]=4 1027 B9R1.15 COC1=CC=CC=C1O G426764 [0,1,0,0,0,0|3,0,0]=4 1028 B9R1.15 COC1=CC=CC=C1S M101778 [0,1,0,0,0,0|3,0,0]=4 1029 B9R1.15 COC1=NC=CN=C1Cl C193237 [0,1,0,0,0,0|3,0,0]=4 1030 B9R1.15 COC1=NC=CN=C1N M589216 [0,1,0,0,0,0|3,0,0]=4 1031 B9R1.15 CSC1=CC=CC=C1Br B101843 [0,1,0,0,0,0|3,0,0]=4 1032 B9R1.15 CSC1=CC=CC=C1Cl C101838 [0,1,0,0,0,0|3,0,0]=4 1033 B9R1.15 CSC1=CC=CC=C1F F101836 [0,1,0,0,0,0|3,0,0]=4 1034 B9R1.15 CSC1=CC=CC=C1N M158418 [0,1,0,0,0,0|3,0,0]=4 1035 B9R1.15 CSC1=CC=CC=C1O M101847 [0,1,0,0,0,0|3,0,0]=4 1036 B9R1.15 [C-]#[N+]C1=CC=CC=C1Cl C299739 [0,1,0,0,0,0|3,0,0]=4 1037 B7R0.1 CCC=CC=CC=O H102914 [0,0,1,0,0,0|2,0,0]=3 1038 B7R0.3 COC(=O)C=CC=C M167458 [0,0,1,0,0,0|3,0,0]=4 1039 B9R2.50 C1CC2=CC=CC=C21 B107638 [0,0,0,1,0,0|2,0,0]=3 1040 B7R1.1 C#CC1=CC=CS1 E107746 [0,0,0,0,1,0|2,0,1]=4 1041 B7R1.1 C#CC1=CSC=C1 E102747 [0,0,0,0,1,0|2,0,1]=4 1042 B7R1.1 C#CC1=CSC=N1 E586383 [0,0,0,0,1,0|2,0,1]=4 1043 B7R1.1 C1=C(C=NN1)CO H175899 [0,0,0,0,1,0|2,1,0]=4 1044 B7R1.1 C1=C(N=CO1)C=O O159993 [0,0,0,0,1,0|1,1,1]=4 1045 B7R1.1 C1=C(N=CS1)C=O T135085 [0,0,0,0,1,0|1,1,1]=4 1046 B7R1.1 C1=C(N=CS1)CCl C137365 [0,0,0,0,1,0|2,0,0]=3 1047 B7R1.1 C1=C(NC=N1)CO H113059 [0,0,0,0,1,0|1,1,1]=4 1048 B7R1.1 C1=C(NC=N1)CO I137052 [0,0,0,0,1,0|1,1,1]=4 1049 B7R1.1 C1=C(NN=C1)CN P115816 [0,0,0,0,1,0|2,0,1]=4 1050 B7R1.1 C1=C(SC=N1)CCl C586959 [0,0,0,0,1,0|3,0,0]=4 1051 B7R1.1 C1=C(SC=N1)CN T302352 [0,0,0,0,1,0|3,0,0]=4 1052 B7R1.1 C1=C(SC=N1)CO T119309 [0,0,0,0,1,0|2,1,0]=4 1053 B7R1.1 C1=CC(=C[CH]1)C#N C302322 [0,0,0,0,1,0|1,0,2]=4 1054 B7R1.1 C1=CN(N=C1)CO H189712 [0,0,0,0,1,0|1,1,0]=3 1055 B7R1.1 C1=CN=C(N1)CN A168767 [0,0,0,0,1,0|2,0,0]=3 1056 B7R1.1 C1=CNC(=C1)C#N H134165 [0,0,0,0,1,0|1,0,2]=4 1057 B7R1.1 C1=CNC(=C1)C=O P123130 [0,0,0,0,1,0|0,1,2]=4 1058 B7R1.1 C1=COC(=C1)C#N F139092 [0,0,0,0,1,0|2,0,1]=4 1059 B7R1.1 C1=COC(=C1)C=O F100546 [0,0,0,0,1,0|1,1,1]=4 1060 B7R1.1 C1=COC(=C1)C=O F100547 [0,0,0,0,1,0|1,1,1]=4 1061 B7R1.1 C1=COC(=C1)C=O F100548 [0,0,0,0,1,0|1,1,1]=4 1062 B7R1.1 C1=COC(=C1)C=O F336820 [0,0,0,0,1,0|1,1,1]=4 1063 B7R1.1 C1=COC(=C1)CN F111778 [0,0,0,0,1,0|2,0,0]=3 1064 B7R1.1 C1=COC(=C1)CN F493732 [0,0,0,0,1,0|2,0,0]=3 1065 B7R1.1 C1=COC(=C1)CO F110603 [0,0,0,0,1,0|1,1,0]=3 1066 B7R1.1 C1=COC(=C1)CO F110604 [0,0,0,0,1,0|1,1,0]=3 1067 B7R1.1 C1=COC(=C1)CS F102900 [0,0,0,0,1,0|1,0,0]=2 1068 B7R1.1 C1=COC=C1C#N F469046 [0,0,0,0,1,0|2,0,1]=4 1069 B7R1.1 C1=COC=C1C=O F122652 [0,0,0,0,1,0|1,1,1]=4 1070 B7R1.1 C1=COC=C1CO F122642 [0,0,0,0,1,0|1,1,0]=3 1071 B7R1.1 C1=CSC(=C1)C#N C153351 [0,0,0,0,1,0|2,0,1]=4 1072 B7R1.1 C1=CSC(=C1)C=O T107122 [0,0,0,0,1,0|1,1,1]=4 1073 B7R1.1 C1=CSC(=C1)CN T107120 [0,0,0,0,1,0|2,0,0]=3 1074 B7R1.1 C1=CSC(=C1)CO T162809 [0,0,0,0,1,0|1,1,0]=3 1075 B7R1.1 C1=CSC(=C1)CS T134394 [0,0,0,0,1,0|1,0,0]=2 1076 B7R1.1 C1=CSC(=N1)C=O T107968 [0,0,0,0,1,0|1,1,1]=4 1077 B7R1.1 C1=CSC(=N1)CO H157271 [0,0,0,0,1,0|1,1,0]=3 1078 B7R1.1 C1=CSC=C1C#N C153346 [0,0,0,0,1,0|2,0,1]=4 1079 B7R1.1 C1=CSC=C1C=O T115194 [0,0,0,0,1,0|1,1,1]=4 1080 B7R1.1 C1=CSC=C1CBr B192902 [0,0,0,0,1,0|2,0,0]=3 1081 B7R1.1 C1=CSC=C1CN T123094 [0,0,0,0,1,0|2,0,0]=3 1082 B7R1.1 C1=CSC=C1CN T189819 [0,0,0,0,1,0|2,0,0]=3 1083 B7R1.1 C1=CSC=C1CO T115329 [0,0,0,0,1,0|1,1,0]=3 1084 B7R1.1 C1=NN(C=N1)CO H405086 [0,0,0,0,1,0|2,1,0]=4 1085 B7R1.1 C1=NNN=C1CN H332069 [0,0,0,0,1,0|3,0,0]=4 1086 B7R1.1 C=CC1=CC=CS1 V305289 [0,0,0,0,1,0|2,0,1]=4 1087 B7R1.1 CCC1=CC=CN1 E156214 [0,0,0,0,1,0|1,0,1]=3 1088 B7R1.1 CCC1=CC=CO1 E102538 [0,0,0,0,1,0|2,0,0]=3 1089 B7R1.1 CCC1=CC=CO1 E141264 [0,0,0,0,1,0|2,0,0]=3 1090 B7R1.1 CCC1=CC=CS1 E101589 [0,0,0,0,1,0|2,0,0]=3 1091 B7R1.1 CCC1=CC=C[CH-]1 D166828 [0,0,0,0,1,0|1,0,1]=3 1092 B7R1.1 CCC1=CN=CN1 E156331 [0,0,0,0,1,0|2,0,1]=4 1093 B7R1.1 CCC1=CNN=C1 E167848 [0,0,0,0,1,0|3,0,0]=4 1094 B7R1.1 CCC1=CSC=C1 E156073 [0,0,0,0,1,0|2,0,0]=3 1095 B7R1.1 CCC1=NC=CN1 E137989 [0,0,0,0,1,0|2,0,0]=3 1096 B7R1.1 CCC1=[C-]CC=C1 B294778 [0,0,0,0,1,0|1,0,2]=4 1097 B7R1.1 CCN1C=CC=C1 E156213 [0,0,0,0,1,0|2,0,0]=3 1098 B7R1.1 CCN1C=CC=N1 E156393 [0,0,0,0,1,0|2,0,0]=3 1099 B7R1.1 CCN1C=CN=C1 E139207 [0,0,0,0,1,0|3,0,0]=4 1100 B7R1.1 CCN1C=NC=N1 E587605 [0,0,0,0,1,0|3,0,0]=4 1101 B7R1.1 COC1=CC=CO1 M158540 [0,0,0,0,1,0|3,0,0]=4 1102 B7R1.1 COC1=CC=CS1 M103170 [0,0,0,0,1,0|3,0,0]=4 1103 B7R1.1 COC1=CSC=C1 M103169 [0,0,0,0,1,0|3,0,0]=4 1104 B7R1.1 COC1=NC=CS1 M158486 [0,0,0,0,1,0|3,0,0]=4 1105 B7R1.1 CSC1=CC=CS1 M123048 [0,0,0,0,1,0|3,0,0]=4 1106 B7R1.1 CSC1=NC=CS1 M158485 [0,0,0,0,1,0|3,0,0]=4 1107 B6R0.6 CC=CC=CC=O H156882 [1,0,1,0,0,0|1,0,0]=3 1108 B6R0.6 CC=CC=CCO I167855 [1,0,1,0,0,0|0,1,1]=4 1109 B6R0.6 CC=CC=CCO T470463 [1,0,1,0,0,0|0,1,1]=4 1110 B6R1.1 C1=CC=CC=C1 B100912 [2,0,0,0,0,0|1,0,0]=3 1111 B6R1.1 C1=CC=CC=C1 B100913 [2,0,0,0,0,0|1,0,0]=3 1112 B6R1.1 C1=CC=CC=C1 B100914 [2,0,0,0,0,0|1,0,0]=3 1113 B6R1.1 C1=CC=CC=C1 B100918 [2,0,0,0,0,0|1,0,0]=3 1114 B6R1.1 C1=CC=CC=C1 B116185 [2,0,0,0,0,0|1,0,0]=3 1115 B6R1.1 C1=CC=CC=C1 B116186 [2,0,0,0,0,0|1,0,0]=3 1116 B6R1.1 C1=CC=CC=C1 B116187 [2,0,0,0,0,0|1,0,0]=3 1117 B6R1.1 C1=CC=CC=C1 B116189 [2,0,0,0,0,0|1,0,0]=3 1118 B6R1.1 C1=CC=CC=C1 B116191 [2,0,0,0,0,0|1,0,0]=3 1119 B6R1.1 C1=CC=CC=C1 B116193 [2,0,0,0,0,0|1,0,0]=3 1120 B6R1.1 C1=CC=CC=C1 B116194 [2,0,0,0,0,0|1,0,0]=3 1121 B6R1.1 C1=CC=CC=C1 B117361 [2,0,0,0,0,0|1,0,0]=3 1122 B6R1.1 C1=CC=CC=C1 B117363 [2,0,0,0,0,0|1,0,0]=3 1123 B6R1.1 C1=CC=CC=C1 B117572 [2,0,0,0,0,0|1,0,0]=3 1124 B6R1.1 C1=CC=CC=C1 B118501 [2,0,0,0,0,0|1,0,0]=3 1125 B6R1.1 C1=CC=CC=C1 B119755 [2,0,0,0,0,0|1,0,0]=3 1126 B6R1.1 C1=CC=CC=C1 B282385 [2,0,0,0,0,0|1,0,0]=3 1127 B6R1.1 C1=CC=CC=C1 B464636 [2,0,0,0,0,0|1,0,0]=3 1128 B6R1.1 C1=CC=NC=C1 C129172 [2,0,0,0,0,0|0,0,0]=2 1129 B6R1.1 C1=CC=NC=C1 C339425 [2,0,0,0,0,0|0,0,0]=2 1130 B6R1.1 C1=CC=NC=C1 D351854 [2,0,0,0,0,0|0,0,0]=2 1131 B6R1.1 C1=CC=NC=C1 H107606 [2,0,0,0,0,0|0,0,0]=2 1132 B6R1.1 C1=CC=NC=C1 P105950 [2,0,0,0,0,0|0,0,0]=2 1133 B6R1.1 C1=CC=NC=C1 P111510 [2,0,0,0,0,0|0,0,0]=2 1134 B6R1.1 C1=CC=NC=C1 P111511 [2,0,0,0,0,0|0,0,0]=2 1135 B6R1.1 C1=CC=NC=C1 P111513 [2,0,0,0,0,0|0,0,0]=2 1136 B6R1.1 C1=CC=NC=C1 P111515 [2,0,0,0,0,0|0,0,0]=2 1137 B6R1.1 C1=CC=NC=C1 P111516 [2,0,0,0,0,0|0,0,0]=2 1138 B6R1.1 C1=CC=NC=C1 P113720 [2,0,0,0,0,0|0,0,0]=2 1139 B6R1.1 C1=CC=NC=C1 P113721 [2,0,0,0,0,0|0,0,0]=2 1140 B6R1.1 C1=CC=NC=C1 P124051 [2,0,0,0,0,0|0,0,0]=2 1141 B6R1.1 C1=CC=NC=C1 P140017 [2,0,0,0,0,0|0,0,0]=2 1142 B6R1.1 C1=CC=NC=C1 P141169 [2,0,0,0,0,0|0,0,0]=2 1143 B6R1.1 C1=CC=NC=C1 P160647 [2,0,0,0,0,0|0,0,0]=2 1144 B6R1.1 C1=CC=NC=C1 P189108 [2,0,0,0,0,0|0,0,0]=2 1145 B6R1.1 C1=CC=NC=C1 P333829 [2,0,0,0,0,0|0,0,0]=2 1146 B6R1.1 C1=CC=NC=C1 P404936 [2,0,0,0,0,0|0,0,0]=2 1147 B6R1.1 C1=CC=NC=C1 P431465 [2,0,0,0,0,0|0,0,0]=2 1148 B6R1.1 C1=CC=NC=C1 P598447 [2,0,0,0,0,0|0,0,0]=2 1149 B6R1.1 C1=CC=NC=C1 P598617 [2,0,0,0,0,0|0,0,0]=2 1150 B6R1.1 C1=CC=NC=C1 P638603 [2,0,0,0,0,0|0,0,0]=2 1151 B6R1.1 C1=CC=NC=C1 S106808 [2,0,0,0,0,0|0,0,0]=2 1152 B6R1.1 C1=CC=NN=C1 P137565 [2,0,0,0,0,0|1,0,0]=3 1153 B6R1.1 C1=CC=[C-]C=C1 D282549 [2,0,0,0,0,0|1,0,0]=3 1154 B6R1.1 C1=CC=[C-]C=C1 P344682 [2,0,0,0,0,0|1,0,0]=3 1155 B6R1.1 C1=CC=[NH+]C=C1 P124192 [2,0,0,0,0,0|0,0,1]=3 1156 B6R1.1 C1=CC=[NH+]C=C1 P494032 [2,0,0,0,0,0|0,0,1]=3 1157 B6R1.1 C1=CN=CC=N1 P109613 [2,0,0,0,0,0|1,0,0]=3 1158 B6R1.1 C1=CN=CC=N1 P109614 [2,0,0,0,0,0|1,0,0]=3 1159 B6R1.1 C1=CN=CC=N1 P346218 [2,0,0,0,0,0|1,0,0]=3 1160 B6R1.1 C1=CN=CN=C1 P107069 [2,0,0,0,0,0|1,0,0]=3 1161 B6R1.1 C1=CN=CN=C1 P107070 [2,0,0,0,0,0|1,0,0]=3 1162 B6R1.1 C1=NC=NC=N1 T162480 [2,0,0,0,0,0|2,0,0]=4 1163 B6R1.1 C1C=CCC=C1 C109678 [2,0,0,0,0,0|1,0,1]=4 1164 B6R1.1 C1CC=CC=C1 C189164 [2,0,0,0,0,0|1,0,1]=4 1165 B8R1.3 C1=C(C=NC(=N1)Br)Br D121632 [1,1,0,0,0,0|2,0,0]=4 1166 B8R1.3 C1=C(C=NC(=N1)Br)F B178446 [1,1,0,0,0,0|2,0,0]=4 1167 B8R1.3 C1=C(C=NC(=N1)Br)N A185256 [1,1,0,0,0,0|2,0,0]=4 1168 B8R1.3 C1=C(C=NC(=N1)Br)O B172861 [1,1,0,0,0,0|2,0,0]=4 1169 B8R1.3 C1=C(C=NC(=N1)Cl)Br B113805 [1,1,0,0,0,0|2,0,0]=4 1170 B8R1.3 C1=C(C=NC(=N1)Cl)Cl D123559 [1,1,0,0,0,0|2,0,0]=4 1171 B8R1.3 C1=C(C=NC(=N1)Cl)F C102638 [1,1,0,0,0,0|2,0,0]=4 1172 B8R1.3 C1=C(C=NC(=N1)Cl)I C153606 [1,1,0,0,0,0|2,0,0]=4 1173 B8R1.3 C1=C(C=NC(=N1)Cl)N A481967 [1,1,0,0,0,0|2,0,0]=4 1174 B8R1.3 C1=C(C=NC(=N1)Cl)O C176622 [1,1,0,0,0,0|2,0,0]=4 1175 B8R1.3 C1=C(C=NC(=N1)F)Br B123109 [1,1,0,0,0,0|2,0,0]=4 1176 B8R1.3 C1=C(C=NC(=N1)I)Br W131810 [1,1,0,0,0,0|2,0,0]=4 1177 B8R1.3 C1=C(C=NC(=N1)N)Br A123409 [1,1,0,0,0,0|2,0,0]=4 1178 B8R1.3 C1=C(C=NC(=N1)N)Cl A113872 [1,1,0,0,0,0|2,0,0]=4 1179 B8R1.3 C1=C(C=NC(=N1)N)F A181981 [1,1,0,0,0,0|2,0,0]=4 1180 B8R1.3 C1=C(C=NC(=N1)N)I A167314 [1,1,0,0,0,0|2,0,0]=4 1181 B8R1.3 C1=C(C=NC(=O)N1)Br B120278 [1,1,0,0,0,0|1,1,0]=4 1182 B8R1.3 C1=C(C=NC(=O)N1)F W136119 [1,1,0,0,0,0|1,1,0]=4 1183 B8R1.3 C1=C(N=CC(=N1)Br)Br D154926 [1,1,0,0,0,0|2,0,0]=4 1184 B8R1.3 C1=C(N=CC(=N1)Br)N A115828 [1,1,0,0,0,0|2,0,0]=4 1185 B8R1.3 C1=C(N=CC(=N1)Cl)Cl D175458 [1,1,0,0,0,0|2,0,0]=4 1186 B8R1.3 C1=C(N=CC(=N1)Cl)N A122400 [1,1,0,0,0,0|2,0,0]=4 1187 B8R1.3 C1=C(N=CC(=N1)I)Br B176964 [1,1,0,0,0,0|2,0,0]=4 1188 B8R1.3 C1=C(N=CC(=N1)I)Cl C179057 [1,1,0,0,0,0|2,0,0]=4 1189 B8R1.3 C1=C(N=CC(=O)N1)Br B115827 [1,1,0,0,0,0|2,0,0]=4 1190 B8R1.3 C1=CC(=CC=C1Br)Br D104691 [1,1,0,0,0,0|2,0,0]=4 1191 B8R1.3 C1=CC(=CC=C1Br)Br D104693 [1,1,0,0,0,0|2,0,0]=4 1192 B8R1.3 C1=CC(=CC=C1Br)Br D121273 [1,1,0,0,0,0|2,0,0]=4 1193 B8R1.3 C1=CC(=CC=C1Br)I B107004 [1,1,0,0,0,0|2,0,0]=4 1194 B8R1.3 C1=CC(=CC=C1Cl)Br B106076 [1,1,0,0,0,0|2,0,0]=4 1195 B8R1.3 C1=CC(=CC=C1Cl)Br B106077 [1,1,0,0,0,0|2,0,0]=4 1196 B8R1.3 C1=CC(=CC=C1Cl)Cl D104666 [1,1,0,0,0,0|2,0,0]=4 1197 B8R1.3 C1=CC(=CC=C1Cl)Cl D104668 [1,1,0,0,0,0|2,0,0]=4 1198 B8R1.3 C1=CC(=CC=C1Cl)Cl D104670 [1,1,0,0,0,0|2,0,0]=4 1199 B8R1.3 C1=CC(=CC=C1Cl)Cl D104676 [1,1,0,0,0,0|2,0,0]=4 1200 B8R1.3 C1=CC(=CC=C1Cl)Cl D115108 [1,1,0,0,0,0|2,0,0]=4 1201 B8R1.3 C1=CC(=CC=C1Cl)Cl D123306 [1,1,0,0,0,0|2,0,0]=4 1202 B8R1.3 C1=CC(=CC=C1Cl)I C101940 [1,1,0,0,0,0|2,0,0]=4 1203 B8R1.3 C1=CC(=CC=C1F)Br B107758 [1,1,0,0,0,0|2,0,0]=4 1204 B8R1.3 C1=CC(=CC=C1F)Cl C122649 [1,1,0,0,0,0|2,0,0]=4 1205 B8R1.3 C1=CC(=CC=C1F)F D113734 [1,1,0,0,0,0|2,0,0]=4 1206 B8R1.3 C1=CC(=CC=C1F)I F100907 [1,1,0,0,0,0|2,0,0]=4 1207 B8R1.3 C1=CC(=CC=C1F)S F101761 [1,1,0,0,0,0|1,0,0]=3 1208 B8R1.3 C1=CC(=CC=C1I)I D111116 [1,1,0,0,0,0|2,0,0]=4 1209 B8R1.3 C1=CC(=CC=C1N)Br B103946 [1,1,0,0,0,0|2,0,0]=4 1210 B8R1.3 C1=CC(=CC=C1N)Cl C103934 [1,1,0,0,0,0|2,0,0]=4 1211 B8R1.3 C1=CC(=CC=C1N)Cl C103935 [1,1,0,0,0,0|2,0,0]=4 1212 B8R1.3 C1=CC(=CC=C1N)Cl C103936 [1,1,0,0,0,0|2,0,0]=4 1213 B8R1.3 C1=CC(=CC=C1N)Cl C103945 [1,1,0,0,0,0|2,0,0]=4 1214 B8R1.3 C1=CC(=CC=C1N)Cl C141217 [1,1,0,0,0,0|2,0,0]=4 1215 B8R1.3 C1=CC(=CC=C1N)F F103204 [1,1,0,0,0,0|2,0,0]=4 1216 B8R1.3 C1=CC(=CC=C1N)F F404104 [1,1,0,0,0,0|2,0,0]=4 1217 B8R1.3 C1=CC(=CC=C1N)F F404490 [1,1,0,0,0,0|2,0,0]=4 1218 B8R1.3 C1=CC(=CC=C1N)I I107029 [1,1,0,0,0,0|2,0,0]=4 1219 B8R1.3 C1=CC(=CC=C1N)N D117081 [1,1,0,0,0,0|2,0,0]=4 1220 B8R1.3 C1=CC(=CC=C1N)N P108424 [1,1,0,0,0,0|2,0,0]=4 1221 B8R1.3 C1=CC(=CC=C1N)N P108425 [1,1,0,0,0,0|2,0,0]=4 1222 B8R1.3 C1=CC(=CC=C1N)N P108426 [1,1,0,0,0,0|2,0,0]=4 1223 B8R1.3 C1=CC(=CC=C1N)N P128784 [1,1,0,0,0,0|2,0,0]=4 1224 B8R1.3 C1=CC(=CC=C1N)N P292856 [1,1,0,0,0,0|2,0,0]=4 1225 B8R1.3 C1=CC(=CC=C1N)N P302258 [1,1,0,0,0,0|2,0,0]=4 1226 B8R1.3 C1=CC(=CC=C1N)N p115806 [1,1,0,0,0,0|2,0,0]=4 1227 B8R1.3 C1=CC(=CC=C1N)O A100496 [1,1,0,0,0,0|1,1,0]=4 1228 B8R1.3 C1=CC(=CC=C1N)O A110564 [1,1,0,0,0,0|1,1,0]=4 1229 B8R1.3 C1=CC(=CC=C1N)O A110566 [1,1,0,0,0,0|1,1,0]=4 1230 B8R1.3 C1=CC(=CC=C1N)S A107494 [1,1,0,0,0,0|1,0,0]=3 1231 B8R1.3 C1=CC(=CC=C1N)S A163041 [1,1,0,0,0,0|1,0,0]=3 1232 B8R1.3 C1=CC(=CC=C1O)Br B100691 [1,1,0,0,0,0|1,1,0]=4 1233 B8R1.3 C1=CC(=CC=C1O)Br B100692 [1,1,0,0,0,0|1,1,0]=4 1234 B8R1.3 C1=CC(=CC=C1O)Cl C108253 [1,1,0,0,0,0|1,1,0]=4 1235 B8R1.3 C1=CC(=CC=C1O)Cl C108254 [1,1,0,0,0,0|1,1,0]=4 1236 B8R1.3 C1=CC(=CC=C1O)Cl C108255 [1,1,0,0,0,0|1,1,0]=4 1237 B8R1.3 C1=CC(=CC=C1O)Cl C108256 [1,1,0,0,0,0|1,1,0]=4 1238 B8R1.3 C1=CC(=CC=C1O)F F107127 [1,1,0,0,0,0|1,1,0]=4 1239 B8R1.3 C1=CC(=CC=C1O)I I107037 [1,1,0,0,0,0|1,1,0]=4 1240 B8R1.3 C1=CC(=CC=C1O)O H108945 [1,1,0,0,0,0|1,1,0]=4 1241 B8R1.3 C1=CC(=CC=C1O)O H108946 [1,1,0,0,0,0|1,1,0]=4 1242 B8R1.3 C1=CC(=CC=C1O)O H108947 [1,1,0,0,0,0|1,1,0]=4 1243 B8R1.3 C1=CC(=CC=C1O)O H431621 [1,1,0,0,0,0|1,1,0]=4 1244 B8R1.3 C1=CC(=CC=C1O)S M101786 [1,1,0,0,0,0|1,0,0]=3 1245 B8R1.3 C1=CC(=CC=C1S)Br B101773 [1,1,0,0,0,0|1,0,0]=3 1246 B8R1.3 C1=CC(=CC=C1S)Cl C101766 [1,1,0,0,0,0|1,0,0]=3 1247 B8R1.3 C1=CC(=CC=C1S)S B151928 [1,1,0,0,0,0|1,0,0]=3 1248 B8R1.3 C1=CC(=NC=C1Br)Br D101561 [1,1,0,0,0,0|1,0,0]=3 1249 B8R1.3 C1=CC(=NC=C1Br)Cl B123411 [1,1,0,0,0,0|1,0,0]=3 1250 B8R1.3 C1=CC(=NC=C1Br)F B110259 [1,1,0,0,0,0|1,0,0]=3 1251 B8R1.3 C1=CC(=NC=C1Br)I B120792 [1,1,0,0,0,0|1,0,0]=3 1252 B8R1.3 C1=CC(=NC=C1Br)N A101197 [1,1,0,0,0,0|1,0,0]=3 1253 B8R1.3 C1=CC(=NC=C1Cl)Br B102594 [1,1,0,0,0,0|1,0,0]=3 1254 B8R1.3 C1=CC(=NC=C1Cl)Cl D120567 [1,1,0,0,0,0|1,0,0]=3 1255 B8R1.3 C1=CC(=NC=C1Cl)F C110260 [1,1,0,0,0,0|1,0,0]=3 1256 B8R1.3 C1=CC(=NC=C1Cl)I C168964 [1,1,0,0,0,0|1,0,0]=3 1257 B8R1.3 C1=CC(=NC=C1Cl)N A107183 [1,1,0,0,0,0|1,0,0]=3 1258 B8R1.3 C1=CC(=NC=C1F)Br B111195 [1,1,0,0,0,0|1,0,0]=3 1259 B8R1.3 C1=CC(=NC=C1F)Cl C102598 [1,1,0,0,0,0|1,0,0]=3 1260 B8R1.3 C1=CC(=NC=C1F)F D124342 [1,1,0,0,0,0|1,0,0]=3 1261 B8R1.3 C1=CC(=NC=C1F)I F181837 [1,1,0,0,0,0|1,0,0]=3 1262 B8R1.3 C1=CC(=NC=C1F)N A101607 [1,1,0,0,0,0|1,0,0]=3 1263 B8R1.3 C1=CC(=NC=C1I)Br B122970 [1,1,0,0,0,0|1,0,0]=3 1264 B8R1.3 C1=CC(=NC=C1I)Cl C119410 [1,1,0,0,0,0|1,0,0]=3 1265 B8R1.3 C1=CC(=NC=C1I)F F119657 [1,1,0,0,0,0|1,0,0]=3 1266 B8R1.3 C1=CC(=NC=C1I)I D166168 [1,1,0,0,0,0|1,0,0]=3 1267 B8R1.3 C1=CC(=NC=C1I)N A129106 [1,1,0,0,0,0|1,0,0]=3 1268 B8R1.3 C1=CC(=NC=C1N)Br A101199 [1,1,0,0,0,0|1,0,0]=3 1269 B8R1.3 C1=CC(=NC=C1N)Cl A124240 [1,1,0,0,0,0|1,0,0]=3 1270 B8R1.3 C1=CC(=NC=C1N)F A119632 [1,1,0,0,0,0|1,0,0]=3 1271 B8R1.3 C1=CC(=NC=C1N)I A588630 [1,1,0,0,0,0|1,0,0]=3 1272 B8R1.3 C1=CC(=NC=C1N)N D134973 [1,1,0,0,0,0|1,0,0]=3 1273 B8R1.3 C1=CC(=NC=C1N)N D135606 [1,1,0,0,0,0|1,0,0]=3 1274 B8R1.3 C1=CC(=NC=C1O)Br B102604 [1,1,0,0,0,0|1,0,0]=3 1275 B8R1.3 C1=CC(=NC=C1O)Br B399634 [1,1,0,0,0,0|1,0,0]=3 1276 B8R1.3 C1=CC(=NC=C1O)Cl C102603 [1,1,0,0,0,0|1,0,0]=3 1277 B8R1.3 C1=CC(=NC=C1O)F F102601 [1,1,0,0,0,0|1,0,0]=3 1278 B8R1.3 C1=CC(=NC=C1O)N A185200 [1,1,0,0,0,0|1,0,0]=3 1279 B8R1.3 C1=CC(=NN=C1Br)Br D123209 [1,1,0,0,0,0|2,0,0]=4 1280 B8R1.3 C1=CC(=NN=C1Cl)Br B187829 [1,1,0,0,0,0|2,0,0]=4 1281 B8R1.3 C1=CC(=NN=C1Cl)Cl D154248 [1,1,0,0,0,0|2,0,0]=4 1282 B8R1.3 C1=CC(=NN=C1Cl)I C167062 [1,1,0,0,0,0|2,0,0]=4 1283 B8R1.3 C1=CC(=NN=C1F)Br B587053 [1,1,0,0,0,0|2,0,0]=4 1284 B8R1.3 C1=CC(=NN=C1I)I D191979 [1,1,0,0,0,0|2,0,0]=4 1285 B8R1.3 C1=CC(=NN=C1N)Br B177923 [1,1,0,0,0,0|2,0,0]=4 1286 B8R1.3 C1=CC(=NN=C1N)Cl C113874 [1,1,0,0,0,0|2,0,0]=4 1287 B8R1.3 C1=CC(=NNC1=O)Br B193678 [1,1,0,0,0,0|2,0,0]=4 1288 B8R1.3 C1=CC(=NNC1=O)Cl C132941 [1,1,0,0,0,0|2,0,0]=4 1289 B8R1.3 C1=CC(=NNC1=S)Cl C349932 [1,1,0,0,0,0|2,0,0]=4 1290 B8R1.3 C1=CC(=O)C=CC1=O B108670 [1,1,0,0,0,0|1,1,0]=4 1291 B8R1.3 C1=CC(=O)C=CC1=O B108671 [1,1,0,0,0,0|1,1,0]=4 1292 B8R1.3 C1=CC(=O)C=CC1=O B108672 [1,1,0,0,0,0|1,1,0]=4 1293 B8R1.3 C1=CC(=O)C=CC1=O Q104677 [1,1,0,0,0,0|1,1,0]=4 1294 B8R1.3 C1=CC(=O)NC=C1Br B152104 [1,1,0,0,0,0|0,1,1]=4 1295 B8R1.3 C1=CC(=O)NC=C1Cl C136324 [1,1,0,0,0,0|0,1,1]=4 1296 B8R1.3 C1=CC(=O)NC=C1F F102599 [1,1,0,0,0,0|0,1,1]=4 1297 B8R1.3 C1=CC(=O)NC=C1I W131730 [1,1,0,0,0,0|0,1,1]=4 1298 B8R1.3 C1=CC(=O)NC=C1N A120454 [1,1,0,0,0,0|0,1,1]=4 1299 B8R1.3 CC1=CC=C(C=C1)Br B108900 [1,1,0,0,0,0|1,0,0]=3 1300 B8R1.3 CC1=CC=C(C=C1)C X103333 [1,1,0,0,0,0|1,0,0]=3 1301 B8R1.3 CC1=CC=C(C=C1)C X103334 [1,1,0,0,0,0|1,0,0]=3 1302 B8R1.3 CC1=CC=C(C=C1)C X103336 [1,1,0,0,0,0|1,0,0]=3 1303 B8R1.3 CC1=CC=C(C=C1)C X103338 [1,1,0,0,0,0|1,0,0]=3 1304 B8R1.3 CC1=CC=C(C=C1)C X103339 [1,1,0,0,0,0|1,0,0]=3 1305 B8R1.3 CC1=CC=C(C=C1)C X103342 [1,1,0,0,0,0|1,0,0]=3 1306 B8R1.3 CC1=CC=C(C=C1)C X119715 [1,1,0,0,0,0|1,0,0]=3 1307 B8R1.3 CC1=CC=C(C=C1)C X128149 [1,1,0,0,0,0|1,0,0]=3 1308 B8R1.3 CC1=CC=C(C=C1)Cl C104628 [1,1,0,0,0,0|1,0,0]=3 1309 B8R1.3 CC1=CC=C(C=C1)Cl C104629 [1,1,0,0,0,0|1,0,0]=3 1310 B8R1.3 CC1=CC=C(C=C1)Cl C113011 [1,1,0,0,0,0|1,0,0]=3 1311 B8R1.3 CC1=CC=C(C=C1)Cl C113012 [1,1,0,0,0,0|1,0,0]=3 1312 B8R1.3 CC1=CC=C(C=C1)Cl C128161 [1,1,0,0,0,0|1,0,0]=3 1313 B8R1.3 CC1=CC=C(C=C1)F F107110 [1,1,0,0,0,0|1,0,0]=3 1314 B8R1.3 CC1=CC=C(C=C1)I I118363 [1,1,0,0,0,0|1,0,0]=3 1315 B8R1.3 CC1=CC=C(C=C1)N T108450 [1,1,0,0,0,0|1,0,0]=3 1316 B8R1.3 CC1=CC=C(C=C1)N T108451 [1,1,0,0,0,0|1,0,0]=3 1317 B8R1.3 CC1=CC=C(C=C1)N T111232 [1,1,0,0,0,0|1,0,0]=3 1318 B8R1.3 CC1=CC=C(C=C1)O C108248 [1,1,0,0,0,0|1,0,0]=3 1319 B8R1.3 CC1=CC=C(C=C1)O C108249 [1,1,0,0,0,0|1,0,0]=3 1320 B8R1.3 CC1=CC=C(C=C1)O C108250 [1,1,0,0,0,0|1,0,0]=3 1321 B8R1.3 CC1=CC=C(C=C1)O C108251 [1,1,0,0,0,0|1,0,0]=3 1322 B8R1.3 CC1=CC=C(C=C1)O C108252 [1,1,0,0,0,0|1,0,0]=3 1323 B8R1.3 CC1=CC=C(C=C1)O C108640 [1,1,0,0,0,0|1,0,0]=3 1324 B8R1.3 CC1=CC=C(C=C1)O C108641 [1,1,0,0,0,0|1,0,0]=3 1325 B8R1.3 CC1=CC=C(C=C1)O C128202 [1,1,0,0,0,0|1,0,0]=3 1326 B8R1.3 CC1=CC=C(C=C1)S T109389 [1,1,0,0,0,0|1,0,0]=3 1327 B8R1.3 CC1=CC=[N+](C=C1)C D588274 [1,1,0,0,0,0|2,0,0]=4 1328 B8R1.3 CC1=CC=[N+](C=C1)[O-] M158852 [1,1,0,0,0,0|2,0,0]=4 1329 B8R1.3 CC1=CN=C(C=C1)Br B120720 [1,1,0,0,0,0|1,0,0]=3 1330 B8R1.3 CC1=CN=C(C=C1)C L111803 [1,1,0,0,0,0|0,0,0]=2 1331 B8R1.3 CC1=CN=C(C=C1)Cl C122971 [1,1,0,0,0,0|1,0,0]=3 1332 B8R1.3 CC1=CN=C(C=C1)F F120713 [1,1,0,0,0,0|1,0,0]=3 1333 B8R1.3 CC1=CN=C(C=C1)N A107505 [1,1,0,0,0,0|1,0,0]=3 1334 B8R1.3 CC1=CN=C(C=N1)C D106345 [1,1,0,0,0,0|1,0,0]=3 1335 B8R1.3 CC1=CN=C(C=N1)Cl C110233 [1,1,0,0,0,0|1,0,0]=3 1336 B8R1.3 CC1=CN=C(C=N1)N M133886 [1,1,0,0,0,0|1,0,0]=3 1337 B8R1.3 CC1=CN=C(N=C1)Cl C153537 [1,1,0,0,0,0|2,0,0]=4 1338 B8R1.3 CC1=CNC(=O)C=C1 H107715 [1,1,0,0,0,0|0,1,1]=4 1339 B8R1.3 CC1=CNC(=O)C=N1 M191984 [1,1,0,0,0,0|1,0,0]=3 1340 B8R1.3 CC1=CNC(=S)C=C1 M405751 [1,1,0,0,0,0|0,0,2]=4 1341 B8R1.3 CC1=NC=C(C=C1)Br B123445 [1,1,0,0,0,0|0,0,0]=2 1342 B8R1.3 CC1=NC=C(C=C1)Cl C186235 [1,1,0,0,0,0|0,0,0]=2 1343 B8R1.3 CC1=NC=C(C=C1)F F489688 [1,1,0,0,0,0|0,0,0]=2 1344 B8R1.3 CC1=NC=C(C=C1)N A103049 [1,1,0,0,0,0|0,0,0]=2 1345 B8R1.3 CC1=NC=C(C=C1)O H156935 [1,1,0,0,0,0|0,0,0]=2 1346 B8R1.3 CC1=NC=C(C=N1)Br B152665 [1,1,0,0,0,0|1,0,0]=3 1347 B8R1.3 CC1=NC=C(C=N1)N M176382 [1,1,0,0,0,0|1,0,0]=3 1348 B8R1.3 CC1=NC=C(C=N1)O M588838 [1,1,0,0,0,0|1,0,0]=3 1349 B8R1.3 CC1=NN=C(C=C1)Br B177071 [1,1,0,0,0,0|1,0,0]=3 1350 B8R1.3 CC1=NN=C(C=C1)C D587537 [1,1,0,0,0,0|1,0,0]=3 1351 B8R1.3 CC1=NN=C(C=C1)Cl C122392 [1,1,0,0,0,0|1,0,0]=3 1352 B8R1.3 CC1=NNC(=O)C=C1 M157846 [1,1,0,0,0,0|1,0,0]=3 1353 B8R1.3 CC1=[C-]C=C(C=C1)F F579402 [1,1,0,0,0,0|1,0,0]=3 1354 B8R1.4 C1=C(C=NN=C1Cl)Cl D154249 [1,1,0,0,0,0|2,0,0]=4 1355 B8R1.4 C1=C(N=C(C=N1)Br)Br D138534 [1,1,0,0,0,0|2,0,0]=4 1356 B8R1.4 C1=C(N=C(C=N1)Br)Cl B188248 [1,1,0,0,0,0|2,0,0]=4 1357 B8R1.4 C1=C(N=C(C=N1)Cl)Cl D123438 [1,1,0,0,0,0|2,0,0]=4 1358 B8R1.4 C1=C(N=C(C=N1)Cl)N A123436 [1,1,0,0,0,0|2,0,0]=4 1359 B8R1.4 C1=C(N=C(C=N1)I)I D185351 [1,1,0,0,0,0|2,0,0]=4 1360 B8R1.4 C1=C(N=CN=C1Br)Br D138750 [1,1,0,0,0,0|2,0,0]=4 1361 B8R1.4 C1=C(N=CN=C1Cl)Cl D106524 [1,1,0,0,0,0|2,0,0]=4 1362 B8R1.4 C1=C(N=CN=C1Cl)N A101736 [1,1,0,0,0,0|2,0,0]=4 1363 B8R1.4 C1=C(N=CN=C1F)F D478925 [1,1,0,0,0,0|2,0,0]=4 1364 B8R1.4 C1=C(N=CN=C1I)I D168291 [1,1,0,0,0,0|2,0,0]=4 1365 B8R1.4 C1=C(N=CN=C1N)N D123503 [1,1,0,0,0,0|2,0,0]=4 1366 B8R1.4 C1=C(N=CNC1=O)Br B179335 [1,1,0,0,0,0|2,0,0]=4 1367 B8R1.4 C1=C(N=CNC1=O)Cl C136624 [1,1,0,0,0,0|2,0,0]=4 1368 B8R1.4 C1=C(N=CNC1=O)N A138085 [1,1,0,0,0,0|2,0,0]=4 1369 B8R1.4 C1=C(N=CNC1=O)O D111105 [1,1,0,0,0,0|1,1,0]=4 1370 B8R1.4 C1=C(NC(=O)N=C1)N C104336 [1,1,0,0,0,0|1,1,0]=4 1371 B8R1.4 C1=C(NC(=O)N=C1)N C425633 [1,1,0,0,0,0|1,1,0]=4 1372 B8R1.4 C1=C(NC(=S)N=C1)N T169649 [1,1,0,0,0,0|1,0,1]=4 1373 B8R1.4 C1=CC(=CC(=C1)Br)Br D110983 [1,1,0,0,0,0|2,0,0]=4 1374 B8R1.4 C1=CC(=CC(=C1)Br)Cl B106999 [1,1,0,0,0,0|2,0,0]=4 1375 B8R1.4 C1=CC(=CC(=C1)Br)F B109686 [1,1,0,0,0,0|2,0,0]=4 1376 B8R1.4 C1=CC(=CC(=C1)Br)N B103950 [1,1,0,0,0,0|2,0,0]=4 1377 B8R1.4 C1=CC(=CC(=C1)Br)O B106994 [1,1,0,0,0,0|1,1,0]=4 1378 B8R1.4 C1=CC(=CC(=C1)Br)O B106995 [1,1,0,0,0,0|1,1,0]=4 1379 B8R1.4 C1=CC(=CC(=C1)Br)S B106987 [1,1,0,0,0,0|1,0,0]=3 1380 B8R1.4 C1=CC(=CC(=C1)Cl)Cl D108531 [1,1,0,0,0,0|2,0,0]=4 1381 B8R1.4 C1=CC(=CC(=C1)Cl)Cl D108532 [1,1,0,0,0,0|2,0,0]=4 1382 B8R1.4 C1=CC(=CC(=C1)Cl)Cl D108536 [1,1,0,0,0,0|2,0,0]=4 1383 B8R1.4 C1=CC(=CC(=C1)Cl)Cl D108538 [1,1,0,0,0,0|2,0,0]=4 1384 B8R1.4 C1=CC(=CC(=C1)Cl)F C120580 [1,1,0,0,0,0|2,0,0]=4 1385 B8R1.4 C1=CC(=CC(=C1)Cl)N C103948 [1,1,0,0,0,0|2,0,0]=4 1386 B8R1.4 C1=CC(=CC(=C1)Cl)O C104273 [1,1,0,0,0,0|1,1,0]=4 1387 B8R1.4 C1=CC(=CC(=C1)Cl)O C104276 [1,1,0,0,0,0|1,1,0]=4 1388 B8R1.4 C1=CC(=CC(=C1)Cl)S C101765 [1,1,0,0,0,0|1,0,0]=3 1389 B8R1.4 C1=CC(=CC(=C1)F)F D154172 [1,1,0,0,0,0|2,0,0]=4 1390 B8R1.4 C1=CC(=CC(=C1)F)N F107123 [1,1,0,0,0,0|2,0,0]=4 1391 B8R1.4 C1=CC(=CC(=C1)F)O F120588 [1,1,0,0,0,0|1,1,0]=4 1392 B8R1.4 C1=CC(=CC(=C1)I)Br B103587 [1,1,0,0,0,0|2,0,0]=4 1393 B8R1.4 C1=CC(=CC(=C1)I)Cl C124310 [1,1,0,0,0,0|2,0,0]=4 1394 B8R1.4 C1=CC(=CC(=C1)I)F F115539 [1,1,0,0,0,0|2,0,0]=4 1395 B8R1.4 C1=CC(=CC(=C1)I)I D185637 [1,1,0,0,0,0|2,0,0]=4 1396 B8R1.4 C1=CC(=CC(=C1)I)N I103150 [1,1,0,0,0,0|2,0,0]=4 1397 B8R1.4 C1=CC(=CC(=C1)I)O I103144 [1,1,0,0,0,0|1,1,0]=4 1398 B8R1.4 C1=CC(=CC(=C1)N)N P101105 [1,1,0,0,0,0|2,0,0]=4 1399 B8R1.4 C1=CC(=CC(=C1)N)N P111631 [1,1,0,0,0,0|2,0,0]=4 1400 B8R1.4 C1=CC(=CC(=C1)N)N P111632 [1,1,0,0,0,0|2,0,0]=4 1401 B8R1.4 C1=CC(=CC(=C1)N)N P113284 [1,1,0,0,0,0|2,0,0]=4 1402 B8R1.4 C1=CC(=CC(=C1)O)N A108481 [1,1,0,0,0,0|1,1,0]=4 1403 B8R1.4 C1=CC(=CC(=C1)O)N A108482 [1,1,0,0,0,0|1,1,0]=4 1404 B8R1.4 C1=CC(=CC(=C1)O)N A113896 [1,1,0,0,0,0|1,1,0]=4 1405 B8R1.4 C1=CC(=CC(=C1)O)N A301746 [1,1,0,0,0,0|1,1,0]=4 1406 B8R1.4 C1=CC(=CC(=C1)O)O R111662 [1,1,0,0,0,0|1,1,0]=4 1407 B8R1.4 C1=CC(=CC(=C1)O)O R111663 [1,1,0,0,0,0|1,1,0]=4 1408 B8R1.4 C1=CC(=CC(=C1)S)F F101760 [1,1,0,0,0,0|1,0,0]=3 1409 B8R1.4 C1=CC(=CC(=C1)S)N A107495 [1,1,0,0,0,0|1,0,0]=3 1410 B8R1.4 C1=CC(=CC(=C1)S)O M101785 [1,1,0,0,0,0|1,0,0]=3 1411 B8R1.4 C1=CC(=CC(=C1)S)S B152749 [1,1,0,0,0,0|1,0,0]=3 1412 B8R1.4 C1=CC(=NC(=C1)Br)Br D101563 [1,1,0,0,0,0|1,0,0]=3 1413 B8R1.4 C1=CC(=NC(=C1)Br)Cl B136352 [1,1,0,0,0,0|1,0,0]=3 1414 B8R1.4 C1=CC(=NC(=C1)Br)F B119637 [1,1,0,0,0,0|1,0,0]=3 1415 B8R1.4 C1=CC(=NC(=C1)Br)N A119408 [1,1,0,0,0,0|1,0,0]=3 1416 B8R1.4 C1=CC(=NC(=C1)Cl)Cl D105924 [1,1,0,0,0,0|1,0,0]=3 1417 B8R1.4 C1=CC(=NC(=C1)Cl)F C182701 [1,1,0,0,0,0|1,0,0]=3 1418 B8R1.4 C1=CC(=NC(=C1)Cl)N A101565 [1,1,0,0,0,0|1,0,0]=3 1419 B8R1.4 C1=CC(=NC(=C1)F)F D124337 [1,1,0,0,0,0|1,0,0]=3 1420 B8R1.4 C1=CC(=NC(=C1)F)N F132264 [1,1,0,0,0,0|1,0,0]=3 1421 B8R1.4 C1=CC(=NC(=C1)I)Br B120455 [1,1,0,0,0,0|1,0,0]=3 1422 B8R1.4 C1=CC(=NC(=C1)I)Cl C169092 [1,1,0,0,0,0|1,0,0]=3 1423 B8R1.4 C1=CC(=NC(=C1)I)N I195545 [1,1,0,0,0,0|1,0,0]=3 1424 B8R1.4 C1=CC(=NC(=C1)N)N D106446 [1,1,0,0,0,0|1,0,0]=3 1425 B8R1.4 C1=CC(=O)NC(=C1)Br B151966 [1,1,0,0,0,0|0,1,1]=4 1426 B8R1.4 C1=CC(=O)NC(=C1)Cl C153927 [1,1,0,0,0,0|0,1,1]=4 1427 B8R1.4 C1=CC(=O)NC(=C1)F F184843 [1,1,0,0,0,0|0,1,1]=4 1428 B8R1.4 C1=CC(=O)NC(=C1)N A184895 [1,1,0,0,0,0|0,1,1]=4 1429 B8R1.4 C1=CC(=O)NC(=C1)N A589594 [1,1,0,0,0,0|0,1,1]=4 1430 B8R1.4 C1=CC(=O)NC(=C1)O D165567 [1,1,0,0,0,0|0,1,1]=4 1431 B8R1.4 C1=CN=C(C=C1Br)Br D124330 [1,1,0,0,0,0|1,0,0]=3 1432 B8R1.4 C1=CN=C(C=C1Br)Cl B102595 [1,1,0,0,0,0|1,0,0]=3 1433 B8R1.4 C1=CN=C(C=C1Br)F B120712 [1,1,0,0,0,0|1,0,0]=3 1434 B8R1.4 C1=CN=C(C=C1Br)N A123368 [1,1,0,0,0,0|1,0,0]=3 1435 B8R1.4 C1=CN=C(C=C1Cl)Br B120784 [1,1,0,0,0,0|1,0,0]=3 1436 B8R1.4 C1=CN=C(C=C1Cl)Cl D154414 [1,1,0,0,0,0|1,0,0]=3 1437 B8R1.4 C1=CN=C(C=C1Cl)F C183922 [1,1,0,0,0,0|1,0,0]=3 1438 B8R1.4 C1=CN=C(C=C1Cl)I C192180 [1,1,0,0,0,0|1,0,0]=3 1439 B8R1.4 C1=CN=C(C=C1Cl)N A107902 [1,1,0,0,0,0|1,0,0]=3 1440 B8R1.4 C1=CN=C(C=C1F)Br B119636 [1,1,0,0,0,0|1,0,0]=3 1441 B8R1.4 C1=CN=C(C=C1F)Cl C119640 [1,1,0,0,0,0|1,0,0]=3 1442 B8R1.4 C1=CN=C(C=C1F)F D124339 [1,1,0,0,0,0|1,0,0]=3 1443 B8R1.4 C1=CN=C(C=C1F)N F178407 [1,1,0,0,0,0|1,0,0]=3 1444 B8R1.4 C1=CN=C(C=C1I)Br B120725 [1,1,0,0,0,0|1,0,0]=3 1445 B8R1.4 C1=CN=C(C=C1I)Cl C120719 [1,1,0,0,0,0|1,0,0]=3 1446 B8R1.4 C1=CN=C(C=C1I)F F120711 [1,1,0,0,0,0|1,0,0]=3 1447 B8R1.4 C1=CN=C(C=C1I)N I176775 [1,1,0,0,0,0|1,0,0]=3 1448 B8R1.4 C1=CN=C(C=C1N)Br A103014 [1,1,0,0,0,0|1,0,0]=3 1449 B8R1.4 C1=CN=C(C=C1N)Cl A107152 [1,1,0,0,0,0|1,0,0]=3 1450 B8R1.4 C1=CN=C(C=C1N)F A137501 [1,1,0,0,0,0|1,0,0]=3 1451 B8R1.4 C1=CN=C(N=C1Br)Cl B590540 [1,1,0,0,0,0|2,0,0]=4 1452 B8R1.4 C1=CN=C(N=C1Cl)Br B177979 [1,1,0,0,0,0|2,0,0]=4 1453 B8R1.4 C1=CN=C(N=C1Cl)Cl D103228 [1,1,0,0,0,0|2,0,0]=4 1454 B8R1.4 C1=CN=C(N=C1Cl)N A119322 [1,1,0,0,0,0|2,0,0]=4 1455 B8R1.4 C1=CN=C(N=C1F)F D169237 [1,1,0,0,0,0|2,0,0]=4 1456 B8R1.4 C1=CN=C(N=C1I)Cl C588981 [1,1,0,0,0,0|2,0,0]=4 1457 B8R1.4 C1=CN=C(N=C1N)Cl A123454 [1,1,0,0,0,0|2,0,0]=4 1458 B8R1.4 C1=CN=C(N=C1N)N D155135 [1,1,0,0,0,0|2,0,0]=4 1459 B8R1.4 C1=CN=C(NC1=O)Cl C193933 [1,1,0,0,0,0|2,0,0]=4 1460 B8R1.4 C1=CN=C(NC1=O)N I122417 [1,1,0,0,0,0|2,0,0]=4 1461 B8R1.4 C1=CNC(=CC1=O)Br B184069 [1,1,0,0,0,0|1,0,1]=4 1462 B8R1.4 C1=CNC(=CC1=O)Cl C153940 [1,1,0,0,0,0|1,0,1]=4 1463 B8R1.4 C1=CNC(=CC1=O)F F192141 [1,1,0,0,0,0|1,0,1]=4 1464 B8R1.4 C1=CNC(=CC1=O)N A124105 [1,1,0,0,0,0|1,0,1]=4 1465 B8R1.4 C1=CNC(=O)C=C1Br B129073 [1,1,0,0,0,0|0,1,1]=4 1466 B8R1.4 C1=CNC(=O)C=C1Cl C153941 [1,1,0,0,0,0|0,1,1]=4 1467 B8R1.4 C1=CNC(=O)C=C1F F188894 [1,1,0,0,0,0|0,1,1]=4 1468 B8R1.4 C1=CNC(=O)C=C1N A176346 [1,1,0,0,0,0|0,1,1]=4 1469 B8R1.4 C1=CNC(=O)C=C1O D110324 [1,1,0,0,0,0|0,1,1]=4 1470 B8R1.4 CC1=CC(=CC=C1)Br B104640 [1,1,0,0,0,0|1,0,0]=3 1471 B8R1.4 CC1=CC(=CC=C1)C X103345 [1,1,0,0,0,0|1,0,0]=3 1472 B8R1.4 CC1=CC(=CC=C1)C X103348 [1,1,0,0,0,0|1,0,0]=3 1473 B8R1.4 CC1=CC(=CC=C1)C X103350 [1,1,0,0,0,0|1,0,0]=3 1474 B8R1.4 CC1=CC(=CC=C1)C X119707 [1,1,0,0,0,0|1,0,0]=3 1475 B8R1.4 CC1=CC(=CC=C1)Cl C104627 [1,1,0,0,0,0|1,0,0]=3 1476 B8R1.4 CC1=CC(=CC=C1)F F123650 [1,1,0,0,0,0|1,0,0]=3 1477 B8R1.4 CC1=CC(=CC=C1)I I102000 [1,1,0,0,0,0|1,0,0]=3 1478 B8R1.4 CC1=CC(=CC=C1)N M158301 [1,1,0,0,0,0|1,0,0]=3 1479 B8R1.4 CC1=CC(=CC=C1)N T110548 [1,1,0,0,0,0|1,0,0]=3 1480 B8R1.4 CC1=CC(=CC=C1)N T110549 [1,1,0,0,0,0|1,0,0]=3 1481 B8R1.4 CC1=CC(=CC=C1)N T110550 [1,1,0,0,0,0|1,0,0]=3 1482 B8R1.4 CC1=CC(=CC=C1)O C108242 [1,1,0,0,0,0|1,0,0]=3 1483 B8R1.4 CC1=CC(=CC=C1)O C108243 [1,1,0,0,0,0|1,0,0]=3 1484 B8R1.4 CC1=CC(=CC=C1)O C108245 [1,1,0,0,0,0|1,0,0]=3 1485 B8R1.4 CC1=CC(=CC=C1)O C108246 [1,1,0,0,0,0|1,0,0]=3 1486 B8R1.4 CC1=CC(=CC=C1)O C108247 [1,1,0,0,0,0|1,0,0]=3 1487 B8R1.4 CC1=CC(=CC=C1)S M100575 [1,1,0,0,0,0|1,0,0]=3 1488 B8R1.4 CC1=CC(=CN=C1)Br B120789 [1,1,0,0,0,0|2,0,0]=4 1489 B8R1.4 CC1=CC(=CN=C1)C L106291 [1,1,0,0,0,0|2,0,0]=4 1490 B8R1.4 CC1=CC(=CN=C1)Cl C191816 [1,1,0,0,0,0|2,0,0]=4 1491 B8R1.4 CC1=CC(=CN=C1)F F184385 [1,1,0,0,0,0|2,0,0]=4 1492 B8R1.4 CC1=CC(=CN=C1)N A134931 [1,1,0,0,0,0|2,0,0]=4 1493 B8R1.4 CC1=CC(=CN=C1)O H129072 [1,1,0,0,0,0|2,0,0]=4 1494 B8R1.4 CC1=CC(=C[C-]=C1)C D140723 [1,1,0,0,0,0|1,0,1]=4 1495 B8R1.4 CC1=CC(=NC=C1)Br B115781 [1,1,0,0,0,0|1,0,0]=3 1496 B8R1.4 CC1=CC(=NC=C1)C L109206 [1,1,0,0,0,0|0,0,0]=2 1497 B8R1.4 CC1=CC(=NC=C1)Cl C119971 [1,1,0,0,0,0|1,0,0]=3 1498 B8R1.4 CC1=CC(=NC=C1)F F138875 [1,1,0,0,0,0|1,0,0]=3 1499 B8R1.4 CC1=CC(=NC=C1)N A107213 [1,1,0,0,0,0|1,0,0]=3 1500 B8R1.4 CC1=CC(=NC=C1)N A107214 [1,1,0,0,0,0|1,0,0]=3 1501 B8R1.4 CC1=CC(=NC=N1)C W132404 [1,1,0,0,0,0|1,0,0]=3 1502 B8R1.4 CC1=CC(=NN=C1)Cl C590591 [1,1,0,0,0,0|2,0,0]=4 1503 B8R1.4 CC1=CC(=O)NC=C1 H115748 [1,1,0,0,0,0|0,1,1]=4 1504 B8R1.4 CC1=CC(=O)NC=N1 H587427 [1,1,0,0,0,0|1,0,0]=3 1505 B8R1.4 CC1=CC(=O)NC=N1 W133669 [1,1,0,0,0,0|1,0,0]=3 1506 B8R1.4 CC1=CC(=S)NC=C1 M404771 [1,1,0,0,0,0|0,0,2]=4 1507 B8R1.4 CC1=CC=CC(=O)N1 H107721 [1,1,0,0,0,0|0,0,1]=3 1508 B8R1.4 CC1=CC=CC(=S)N1 M168093 [1,1,0,0,0,0|0,0,1]=3 1509 B8R1.4 CC1=CC=NC(=O)N1 H138956 [1,1,0,0,0,0|1,0,1]=4 1510 B8R1.4 CC1=CC=NC(=S)N1 M139190 [1,1,0,0,0,0|1,0,1]=4 1511 B8R1.4 CC1=CN=CC(=N1)Br B188210 [1,1,0,0,0,0|1,0,0]=3 1512 B8R1.4 CC1=CN=CC(=N1)C D154789 [1,1,0,0,0,0|1,0,0]=3 1513 B8R1.4 CC1=CN=CC(=N1)Cl C136298 [1,1,0,0,0,0|1,0,0]=3 1514 B8R1.4 CC1=CN=CC(=N1)N A185169 [1,1,0,0,0,0|1,0,0]=3 1515 B8R1.4 CC1=CN=CC(=O)N1 H111406 [1,1,0,0,0,0|1,0,1]=4 1516 B8R1.4 CC1=C[N+](=CC=C1)[O-] M124329 [1,1,0,0,0,0|2,0,0]=4 1517 B8R1.4 CC1=NC(=CC=C1)Br B101571 [1,1,0,0,0,0|0,0,0]=2 1518 B8R1.4 CC1=NC(=CC=C1)C L105811 [1,1,0,0,0,0|0,0,0]=2 1519 B8R1.4 CC1=NC(=CC=C1)C L105812 [1,1,0,0,0,0|0,0,0]=2 1520 B8R1.4 CC1=NC(=CC=C1)Cl C124344 [1,1,0,0,0,0|0,0,0]=2 1521 B8R1.4 CC1=NC(=CC=C1)F F119659 [1,1,0,0,0,0|0,0,0]=2 1522 B8R1.4 CC1=NC(=CC=C1)N A107178 [1,1,0,0,0,0|0,0,0]=2 1523 B8R1.4 CC1=NC(=NC=C1)Br B123490 [1,1,0,0,0,0|1,0,0]=3 1524 B8R1.4 CC1=NC(=NC=C1)Cl C120475 [1,1,0,0,0,0|1,0,0]=3 1525 B8R1.4 CC1=NC(=NC=C1)N A115152 [1,1,0,0,0,0|1,0,0]=3 1526 B8R1.4 CC1=NC=CC(=C1)Br B120727 [1,1,0,0,0,0|0,0,0]=2 1527 B8R1.4 CC1=NC=CC(=C1)Br B591103 [1,1,0,0,0,0|0,0,0]=2 1528 B8R1.4 CC1=NC=CC(=C1)Cl C133675 [1,1,0,0,0,0|0,0,0]=2 1529 B8R1.4 CC1=NC=CC(=C1)N A103053 [1,1,0,0,0,0|0,0,0]=2 1530 B8R1.4 CC1=NC=CC(=N1)Cl C153539 [1,1,0,0,0,0|1,0,0]=3 1531 B8R1.4 CC1=NC=CC(=N1)N M194871 [1,1,0,0,0,0|1,0,0]=3 1532 B8R1.4 CC1=NC=CC(=O)N1 M191883 [1,1,0,0,0,0|1,0,0]=3 1533 B8R1.4 Oc1cccc(O)c1 R111664 [1,1,0,0,0,0|1,1,0]=4 1534 B8R1.5 C1=C(C(=NC=N1)Cl)Cl D194423 [1,1,0,0,0,0|2,0,0]=4 1535 B8R1.5 C1=C(C(=NC=N1)Cl)N A151271 [1,1,0,0,0,0|2,0,0]=4 1536 B8R1.5 C1=C(C(=NC=N1)N)N D138191 [1,1,0,0,0,0|2,0,0]=4 1537 B8R1.5 C1=CC(=C(N=C1)Br)Br D138175 [1,1,0,0,0,0|1,0,0]=3 1538 B8R1.5 C1=CC(=C(N=C1)Br)Cl B139493 [1,1,0,0,0,0|1,0,0]=3 1539 B8R1.5 C1=CC(=C(N=C1)Br)F B119634 [1,1,0,0,0,0|1,0,0]=3 1540 B8R1.5 C1=CC(=C(N=C1)Br)I B120728 [1,1,0,0,0,0|1,0,0]=3 1541 B8R1.5 C1=CC(=C(N=C1)Br)N A151581 [1,1,0,0,0,0|1,0,0]=3 1542 B8R1.5 C1=CC(=C(N=C1)Br)O B110249 [1,1,0,0,0,0|1,0,0]=3 1543 B8R1.5 C1=CC(=C(N=C1)Cl)Br B102592 [1,1,0,0,0,0|1,0,0]=3 1544 B8R1.5 C1=CC(=C(N=C1)Cl)Cl D119974 [1,1,0,0,0,0|1,0,0]=3 1545 B8R1.5 C1=CC(=C(N=C1)Cl)F C102597 [1,1,0,0,0,0|1,0,0]=3 1546 B8R1.5 C1=CC(=C(N=C1)Cl)I C120717 [1,1,0,0,0,0|1,0,0]=3 1547 B8R1.5 C1=CC(=C(N=C1)Cl)N A151576 [1,1,0,0,0,0|1,0,0]=3 1548 B8R1.5 C1=CC(=C(N=C1)Cl)O C110320 [1,1,0,0,0,0|1,0,0]=3 1549 B8R1.5 C1=CC(=C(N=C1)F)Br B120726 [1,1,0,0,0,0|1,0,0]=3 1550 B8R1.5 C1=CC(=C(N=C1)F)Cl C119644 [1,1,0,0,0,0|1,0,0]=3 1551 B8R1.5 C1=CC(=C(N=C1)F)F D124348 [1,1,0,0,0,0|1,0,0]=3 1552 B8R1.5 C1=CC(=C(N=C1)F)I F120738 [1,1,0,0,0,0|1,0,0]=3 1553 B8R1.5 C1=CC(=C(N=C1)F)N A119619 [1,1,0,0,0,0|1,0,0]=3 1554 B8R1.5 C1=CC(=C(N=C1)F)O F102619 [1,1,0,0,0,0|1,0,0]=3 1555 B8R1.5 C1=CC(=C(N=C1)I)F F131983 [1,1,0,0,0,0|1,0,0]=3 1556 B8R1.5 C1=CC(=C(N=C1)I)O I119977 [1,1,0,0,0,0|1,0,0]=3 1557 B8R1.5 C1=CC(=C(N=C1)N)Br A167068 [1,1,0,0,0,0|1,0,0]=3 1558 B8R1.5 C1=CC(=C(N=C1)N)Cl A133692 [1,1,0,0,0,0|1,0,0]=3 1559 B8R1.5 C1=CC(=C(N=C1)N)F W133179 [1,1,0,0,0,0|1,0,0]=3 1560 B8R1.5 C1=CC(=C(N=C1)N)I A123901 [1,1,0,0,0,0|1,0,0]=3 1561 B8R1.5 C1=CC(=C(N=C1)N)N D103174 [1,1,0,0,0,0|1,0,0]=3 1562 B8R1.5 C1=CC(=C(N=C1)N)O A101241 [1,1,0,0,0,0|1,0,0]=3 1563 B8R1.5 C1=CC(=C(N=C1)N)O A493500 [1,1,0,0,0,0|1,0,0]=3 1564 B8R1.5 C1=CC(=N)N(C=C1)O A151660 [1,1,0,0,0,0|1,0,1]=4 1565 B8R1.5 C1=CC(=O)N(C=C1)O P103097 [1,1,0,0,0,0|0,1,1]=4 1566 B8R1.5 C1=CC(=S)N(C=C1)O M158842 [1,1,0,0,0,0|0,0,2]=4 1567 B8R1.5 C1=CC(=S)N(C=C1)[O-] B302941 [1,1,0,0,0,0|0,0,2]=4 1568 B8R1.5 C1=CC(=S)N(C=C1)[O-] M111101 [1,1,0,0,0,0|0,0,2]=4 1569 B8R1.5 C1=CC(=S)N(C=C1)[O-] M111102 [1,1,0,0,0,0|0,0,2]=4 1570 B8R1.5 C1=CC=C(C(=C1)Br)Br D107944 [1,1,0,0,0,0|2,0,0]=4 1571 B8R1.5 C1=CC=C(C(=C1)Br)I B118364 [1,1,0,0,0,0|2,0,0]=4 1572 B8R1.5 C1=CC=C(C(=C1)Cl)Br B111197 [1,1,0,0,0,0|2,0,0]=4 1573 B8R1.5 C1=CC=C(C(=C1)Cl)Br B111198 [1,1,0,0,0,0|2,0,0]=4 1574 B8R1.5 C1=CC=C(C(=C1)Cl)Cl D102257 [1,1,0,0,0,0|2,0,0]=4 1575 B8R1.5 C1=CC=C(C(=C1)Cl)Cl D108132 [1,1,0,0,0,0|2,0,0]=4 1576 B8R1.5 C1=CC=C(C(=C1)Cl)Cl D108133 [1,1,0,0,0,0|2,0,0]=4 1577 B8R1.5 C1=CC=C(C(=C1)Cl)Cl D108134 [1,1,0,0,0,0|2,0,0]=4 1578 B8R1.5 C1=CC=C(C(=C1)Cl)Cl D108135 [1,1,0,0,0,0|2,0,0]=4 1579 B8R1.5 C1=CC=C(C(=C1)Cl)Cl D108140 [1,1,0,0,0,0|2,0,0]=4 1580 B8R1.5 C1=CC=C(C(=C1)Cl)Cl D108143 [1,1,0,0,0,0|2,0,0]=4 1581 B8R1.5 C1=CC=C(C(=C1)Cl)Cl D119675 [1,1,0,0,0,0|2,0,0]=4 1582 B8R1.5 C1=CC=C(C(=C1)Cl)I C102013 [1,1,0,0,0,0|2,0,0]=4 1583 B8R1.5 C1=CC=C(C(=C1)F)Br B113794 [1,1,0,0,0,0|2,0,0]=4 1584 B8R1.5 C1=CC=C(C(=C1)F)Cl C120578 [1,1,0,0,0,0|2,0,0]=4 1585 B8R1.5 C1=CC=C(C(=C1)F)Cl C128181 [1,1,0,0,0,0|2,0,0]=4 1586 B8R1.5 C1=CC=C(C(=C1)F)F D155287 [1,1,0,0,0,0|2,0,0]=4 1587 B8R1.5 C1=CC=C(C(=C1)F)I F103134 [1,1,0,0,0,0|2,0,0]=4 1588 B8R1.5 C1=CC=C(C(=C1)F)S F101759 [1,1,0,0,0,0|1,0,0]=3 1589 B8R1.5 C1=CC=C(C(=C1)I)I D136973 [1,1,0,0,0,0|2,0,0]=4 1590 B8R1.5 C1=CC=C(C(=C1)N)Br B108449 [1,1,0,0,0,0|2,0,0]=4 1591 B8R1.5 C1=CC=C(C(=C1)N)Br B405677 [1,1,0,0,0,0|2,0,0]=4 1592 B8R1.5 C1=CC=C(C(=C1)N)Cl C103931 [1,1,0,0,0,0|2,0,0]=4 1593 B8R1.5 C1=CC=C(C(=C1)N)Cl C103932 [1,1,0,0,0,0|2,0,0]=4 1594 B8R1.5 C1=CC=C(C(=C1)N)Cl C153888 [1,1,0,0,0,0|2,0,0]=4 1595 B8R1.5 C1=CC=C(C(=C1)N)F F107841 [1,1,0,0,0,0|2,0,0]=4 1596 B8R1.5 C1=CC=C(C(=C1)N)I I100873 [1,1,0,0,0,0|2,0,0]=4 1597 B8R1.5 C1=CC=C(C(=C1)N)N P100830 [1,1,0,0,0,0|2,0,0]=4 1598 B8R1.5 C1=CC=C(C(=C1)N)N P103811 [1,1,0,0,0,0|2,0,0]=4 1599 B8R1.5 C1=CC=C(C(=C1)N)N P103813 [1,1,0,0,0,0|2,0,0]=4 1600 B8R1.5 C1=CC=C(C(=C1)N)N P107882 [1,1,0,0,0,0|2,0,0]=4 1601 B8R1.5 C1=CC=C(C(=C1)N)O A104087 [1,1,0,0,0,0|1,1,0]=4 1602 B8R1.5 C1=CC=C(C(=C1)N)O A104088 [1,1,0,0,0,0|1,1,0]=4 1603 B8R1.5 C1=CC=C(C(=C1)N)O A104089 [1,1,0,0,0,0|1,1,0]=4 1604 B8R1.5 C1=CC=C(C(=C1)N)O A151616 [1,1,0,0,0,0|1,1,0]=4 1605 B8R1.5 C1=CC=C(C(=C1)N)S A107172 [1,1,0,0,0,0|1,0,0]=3 1606 B8R1.5 C1=CC=C(C(=C1)N)S A477048 [1,1,0,0,0,0|1,0,0]=3 1607 B8R1.5 C1=CC=C(C(=C1)O)Br B109688 [1,1,0,0,0,0|1,1,0]=4 1608 B8R1.5 C1=CC=C(C(=C1)O)Br B109689 [1,1,0,0,0,0|1,1,0]=4 1609 B8R1.5 C1=CC=C(C(=C1)O)Cl C110430 [1,1,0,0,0,0|1,1,0]=4 1610 B8R1.5 C1=CC=C(C(=C1)O)Cl C110432 [1,1,0,0,0,0|1,1,0]=4 1611 B8R1.5 C1=CC=C(C(=C1)O)Cl C110433 [1,1,0,0,0,0|1,1,0]=4 1612 B8R1.5 C1=CC=C(C(=C1)O)Cl C110434 [1,1,0,0,0,0|1,1,0]=4 1613 B8R1.5 C1=CC=C(C(=C1)O)Cl C110435 [1,1,0,0,0,0|1,1,0]=4 1614 B8R1.5 C1=CC=C(C(=C1)O)F F123546 [1,1,0,0,0,0|1,1,0]=4 1615 B8R1.5 C1=CC=C(C(=C1)O)F F123547 [1,1,0,0,0,0|1,1,0]=4 1616 B8R1.5 C1=CC=C(C(=C1)O)I I107036 [1,1,0,0,0,0|1,1,0]=4 1617 B8R1.5 C1=CC=C(C(=C1)O)O C110637 [1,1,0,0,0,0|1,1,0]=4 1618 B8R1.5 C1=CC=C(C(=C1)O)O C110639 [1,1,0,0,0,0|1,1,0]=4 1619 B8R1.5 C1=CC=C(C(=C1)O)O P431588 [1,1,0,0,0,0|1,1,0]=4 1620 B8R1.5 C1=CC=C(C(=C1)O)S M101784 [1,1,0,0,0,0|1,0,0]=3 1621 B8R1.5 C1=CC=C(C(=C1)S)Br B101772 [1,1,0,0,0,0|1,0,0]=3 1622 B8R1.5 C1=CC=C(C(=C1)S)Cl C101764 [1,1,0,0,0,0|1,0,0]=3 1623 B8R1.5 C1=CC=C(C(=C1)S)Cl C639109 [1,1,0,0,0,0|1,0,0]=3 1624 B8R1.5 C1=CC=C(C(=C1)S)S B152759 [1,1,0,0,0,0|1,0,0]=3 1625 B8R1.5 C1=CC=[N+](C(=C1)Cl)[O-] C119972 [1,1,0,0,0,0|1,0,1]=4 1626 B8R1.5 C1=CC=[N+](C(=C1)Cl)[O-] C135385 [1,1,0,0,0,0|1,0,1]=4 1627 B8R1.5 C1=CN=C(C(=N1)Cl)Cl D123437 [1,1,0,0,0,0|2,0,0]=4 1628 B8R1.5 C1=CN=C(C(=N1)N)Cl A121861 [1,1,0,0,0,0|2,0,0]=4 1629 B8R1.5 C1=CN=C(C(=N1)N)Cl A469516 [1,1,0,0,0,0|2,0,0]=4 1630 B8R1.5 C1=CN=C(C(=N1)N)N D190531 [1,1,0,0,0,0|2,0,0]=4 1631 B8R1.5 C1=CN=C(C(=O)N1)N A184511 [1,1,0,0,0,0|2,0,0]=4 1632 B8R1.5 C1=CNC(=O)C(=C1)Br B102610 [1,1,0,0,0,0|0,1,1]=4 1633 B8R1.5 C1=CNC(=O)C(=C1)Cl C102609 [1,1,0,0,0,0|0,1,1]=4 1634 B8R1.5 C1=CNC(=O)C(=C1)F F102607 [1,1,0,0,0,0|0,1,1]=4 1635 B8R1.5 C1=CNC(=O)C(=C1)I I586377 [1,1,0,0,0,0|0,1,1]=4 1636 B8R1.5 C1=CNC(=O)C(=C1)N A151666 [1,1,0,0,0,0|0,1,1]=4 1637 B8R1.5 C1=CNC(=O)C(=C1)O D119960 [1,1,0,0,0,0|0,1,1]=4 1638 B8R1.5 C1=COC(=O)C(=C1)O H193578 [1,1,0,0,0,0|1,1,0]=4 1639 B8R1.5 CC1=C(C=CC=N1)Br B120553 [1,1,0,0,0,0|0,0,0]=2 1640 B8R1.5 CC1=C(C=CC=N1)F F191212 [1,1,0,0,0,0|0,0,0]=2 1641 B8R1.5 CC1=C(C=CC=N1)N A103064 [1,1,0,0,0,0|0,0,0]=2 1642 B8R1.5 CC1=C(C=CC=N1)O H122390 [1,1,0,0,0,0|0,0,0]=2 1643 B8R1.5 CC1=C(C=CN=C1)Cl C138427 [1,1,0,0,0,0|2,0,0]=4 1644 B8R1.5 CC1=C(C=CN=C1)N M119392 [1,1,0,0,0,0|2,0,0]=4 1645 B8R1.5 CC1=C(C=NC=C1)Br B107960 [1,1,0,0,0,0|2,0,0]=4 1646 B8R1.5 CC1=C(C=NC=C1)Cl W134002 [1,1,0,0,0,0|2,0,0]=4 1647 B8R1.5 CC1=C(C=NC=C1)F F135625 [1,1,0,0,0,0|2,0,0]=4 1648 B8R1.5 CC1=C(C=NC=C1)I I588962 [1,1,0,0,0,0|2,0,0]=4 1649 B8R1.5 CC1=C(C=NC=C1)N A122386 [1,1,0,0,0,0|2,0,0]=4 1650 B8R1.5 CC1=C(C=NC=C1)O H179446 [1,1,0,0,0,0|2,0,0]=4 1651 B8R1.5 CC1=C(N=CC=C1)Br B110258 [1,1,0,0,0,0|1,0,0]=3 1652 B8R1.5 CC1=C(N=CC=C1)C L109204 [1,1,0,0,0,0|0,0,0]=2 1653 B8R1.5 CC1=C(N=CC=C1)Cl C124347 [1,1,0,0,0,0|1,0,0]=3 1654 B8R1.5 CC1=C(N=CC=C1)F F119658 [1,1,0,0,0,0|1,0,0]=3 1655 B8R1.5 CC1=C(N=CC=C1)N A107212 [1,1,0,0,0,0|1,0,0]=3 1656 B8R1.5 CC1=C(N=CC=C1)N A140869 [1,1,0,0,0,0|1,0,0]=3 1657 B8R1.5 CC1=CC=CC=C1Br B108526 [1,1,0,0,0,0|1,0,0]=3 1658 B8R1.5 CC1=CC=CC=C1C O102277 [1,1,0,0,0,0|1,0,0]=3 1659 B8R1.5 CC1=CC=CC=C1C X108969 [1,1,0,0,0,0|1,0,0]=3 1660 B8R1.5 CC1=CC=CC=C1C X108971 [1,1,0,0,0,0|1,0,0]=3 1661 B8R1.5 CC1=CC=CC=C1C X108972 [1,1,0,0,0,0|1,0,0]=3 1662 B8R1.5 CC1=CC=CC=C1C X117370 [1,1,0,0,0,0|1,0,0]=3 1663 B8R1.5 CC1=CC=CC=C1C X117372 [1,1,0,0,0,0|1,0,0]=3 1664 B8R1.5 CC1=CC=CC=C1C X119713 [1,1,0,0,0,0|1,0,0]=3 1665 B8R1.5 CC1=CC=CC=C1C X128150 [1,1,0,0,0,0|1,0,0]=3 1666 B8R1.5 CC1=CC=CC=C1Cl C108163 [1,1,0,0,0,0|1,0,0]=3 1667 B8R1.5 CC1=CC=CC=C1Cl C108164 [1,1,0,0,0,0|1,0,0]=3 1668 B8R1.5 CC1=CC=CC=C1Cl C108165 [1,1,0,0,0,0|1,0,0]=3 1669 B8R1.5 CC1=CC=CC=C1Cl C108168 [1,1,0,0,0,0|1,0,0]=3 1670 B8R1.5 CC1=CC=CC=C1F F123653 [1,1,0,0,0,0|1,0,0]=3 1671 B8R1.5 CC1=CC=CC=C1I I103584 [1,1,0,0,0,0|1,0,0]=3 1672 B8R1.5 CC1=CC=CC=C1N O333989 [1,1,0,0,0,0|1,0,0]=3 1673 B8R1.5 CC1=CC=CC=C1N T103926 [1,1,0,0,0,0|1,0,0]=3 1674 B8R1.5 CC1=CC=CC=C1N T103927 [1,1,0,0,0,0|1,0,0]=3 1675 B8R1.5 CC1=CC=CC=C1N T103928 [1,1,0,0,0,0|1,0,0]=3 1676 B8R1.5 CC1=CC=CC=C1O C108231 [1,1,0,0,0,0|1,0,0]=3 1677 B8R1.5 CC1=CC=CC=C1O C108233 [1,1,0,0,0,0|1,0,0]=3 1678 B8R1.5 CC1=CC=CC=C1O C108234 [1,1,0,0,0,0|1,0,0]=3 1679 B8R1.5 CC1=CC=CC=C1O C108235 [1,1,0,0,0,0|1,0,0]=3 1680 B8R1.5 CC1=CC=CC=C1O C108236 [1,1,0,0,0,0|1,0,0]=3 1681 B8R1.5 CC1=CC=CC=C1S M101295 [1,1,0,0,0,0|1,0,0]=3 1682 B8R1.5 CC1=CC=CC=[N+]1N A151482 [1,1,0,0,0,0|0,0,1]=3 1683 B8R1.5 CC1=CC=CC=[N+]1[O-] M158853 [1,1,0,0,0,0|0,0,1]=3 1684 B8R1.5 CC1=CC=CNC1=O H124768 [1,1,0,0,0,0|0,1,1]=4 1685 B8R1.5 CC1=CC=CNC1=S M404770 [1,1,0,0,0,0|0,0,2]=4 1686 B8R1.5 CC1=CNC=CC1=O H119394 [1,1,0,0,0,0|2,0,0]=4 1687 B8R1.5 CC1=NC=CN=C1C D106292 [1,1,0,0,0,0|1,0,0]=3 1688 B8R1.5 CC1=NC=CN=C1Cl C479894 [1,1,0,0,0,0|1,0,0]=3 1689 B8R1.5 CC1=NC=CNC1=O H132311 [1,1,0,0,0,0|1,0,0]=3 1690 B8R1.5 CC1=NC=NC=C1Br B181501 [1,1,0,0,0,0|1,0,0]=3 1691 B8R1.5 CN1C=CC=CC1=O M158822 [1,1,0,0,0,0|0,1,1]=4 1692 B8R1.5 C[N+]1=CC=CC=C1Cl C154059 [1,1,0,0,0,0|1,0,1]=4 1693 B8R1.5 Oc1ccccc1O C117392 [1,1,0,0,0,0|1,1,0]=4 1694 B8R1.5 [CH2-]C1=CC=CC=C1F F169483 [1,1,0,0,0,0|1,0,1]=4 1695 B8R1.1 C1=C(N=C(S1)Br)CO B170760 [0,1,0,0,1,0|1,1,0]=4 1696 B8R1.1 C1=C(SC(=C1)Br)CN B171578 [0,1,0,0,1,0|2,0,0]=4 1697 B8R1.1 C1=C(SC(=C1)Cl)CN A489444 [0,1,0,0,1,0|2,0,0]=4 1698 B8R1.1 C1=C(SC(=C1)Cl)CN C176759 [0,1,0,0,1,0|2,0,0]=4 1699 B8R1.1 C1=C(SC(=C1)Cl)CO C177325 [0,1,0,0,1,0|1,1,0]=4 1700 B8R1.1 C1=C(SC=C1Br)CN B193540 [0,1,0,0,1,0|2,0,0]=4 1701 B8R1.1 C1=C(SC=C1Br)CO B186670 [0,1,0,0,1,0|1,1,0]=4 1702 B8R1.1 CC1=CC(=NN1)CO M588591 [0,1,0,0,1,0|1,1,0]=4 1703 B8R1.1 CC1=CC(=NO1)CO M136270 [0,1,0,0,1,0|1,1,0]=4 1704 B8R1.1 CC1=CC=C(O1)CN M158539 [0,1,0,0,1,0|2,0,0]=4 1705 B8R1.1 CC1=CC=C(O1)CO M189133 [0,1,0,0,1,0|1,1,0]=4 1706 B8R1.1 CCC1=NC(=CS1)C E124072 [0,1,0,0,1,0|2,0,0]=4 1707 B8R1.1 CCC1=NC=C(N1)C E104846 [0,1,0,0,1,0|2,0,0]=4 1708 B8R1.1 CCN1C=C(C=N1)Br B186185 [0,1,0,0,1,0|2,0,0]=4 1709 B8R1.1 CN1C=C(N=C1)CO M305172 [0,1,0,0,1,0|1,1,0]=4 1710 B8R1.1 CN1C=CC(=N1)CN M589648 [0,1,0,0,1,0|2,0,0]=4 1711 B8R1.1 CN1C=CC(=N1)CO M177588 [0,1,0,0,1,0|1,1,0]=4 1712 B8R1.7 CC(=C1C=CC=C1)C D168651 [0,1,0,0,1,0|1,0,1]=4 1713 B8R1.7 CC(C)C1=NC=CN1 I136584 [0,1,0,0,1,0|2,0,0]=4 1714 B8R1.7 CC(C)N1C=CC=N1 I157629 [0,1,0,0,1,0|2,0,0]=4 1715 B8R1.7 CC(C)[C-]1C=CC=C1 S281762 [0,1,0,0,1,0|1,0,1]=4 1716 B8R1.7 CC(C1=CC=CO1)O R588542 [0,1,0,0,1,0|1,1,0]=4 1717 B8R1.7 CC(C1=CC=CO1)O x170274 [0,1,0,0,1,0|1,1,0]=4 1718 B8R1.7 CC(C1=CSC=C1)N T166251 [0,1,0,0,1,0|2,0,0]=4 1719 B8R1.8 C1=CN(C=C1)CCBr B152722 [0,1,0,0,1,0|2,0,0]=4 1720 B8R1.8 C1=CN(C=C1)CCCl C153496 [0,1,0,0,1,0|2,0,0]=4 1721 B8R1.8 C1=CN(C=C1)CCN H169363 [0,1,0,0,1,0|2,0,0]=4 1722 B8R1.8 C1=CN(C=C1)CCO H140284 [0,1,0,0,1,0|1,1,0]=4 1723 B8R1.8 C1=CN(N=C1)CCO H185686 [0,1,0,0,1,0|1,1,0]=4 1724 B8R1.8 C1=CSC(=C1)CC#N T117284 [0,1,0,0,1,0|2,0,0]=4 1725 B8R1.8 C1=CSC(=C1)CCN T107627 [0,1,0,0,1,0|2,0,0]=4 1726 B8R1.8 C1=CSC(=C1)CCN T493549 [0,1,0,0,1,0|2,0,0]=4 1727 B8R1.8 C1=CSC(=C1)CCO T107405 [0,1,0,0,1,0|1,1,0]=4 1728 B8R1.8 C1=CSC=C1CC#N T162812 [0,1,0,0,1,0|2,0,0]=4 1729 B8R1.8 C1=CSC=C1CCN T176215 [0,1,0,0,1,0|2,0,0]=4 1730 B8R1.8 C1=CSC=C1CCN T337701 [0,1,0,0,1,0|2,0,0]=4 1731 B8R1.8 C1=CSC=C1CCO T162832 [0,1,0,0,1,0|1,1,0]=4 1732 B8R1.8 CCCC1=CC=CO1 P160277 [0,1,0,0,1,0|2,0,0]=4 1733 B8R1.8 CCCC1=CC=CS1 P167542 [0,1,0,0,1,0|2,0,0]=4 1734 B8R1.8 CCCC1=CSC=C1 P160669 [0,1,0,0,1,0|2,0,0]=4 1735 B8R1.8 CCCC1=NC=CN1 P135164 [0,1,0,0,1,0|2,0,0]=4 1736 B8R1.8 CCCC1=NC=CS1 P160319 [0,1,0,0,1,0|2,0,0]=4 1737 B8R1.8 CCOC1=NC=CS1 E135543 [0,1,0,0,1,0|2,0,0]=4 1738 B8R1.8 CNCC1=CC=CO1 I170508 [0,1,0,0,1,0|2,0,0]=4 1739 B8R1.8 CSCC1=CC=CO1 F102908 [0,1,0,0,1,0|1,0,0]=3 1740 B8R1.8 NCCC1=C[NH]C=N1 H408357 [0,1,0,0,1,0|2,0,0]=4 1741 B8R1.11 CC1=C(N=CN1)CO H136151 [0,1,0,0,1,0|1,1,0]=4 1742 B8R1.11 CC1=C(N=CN1)CO H157127 [0,1,0,0,1,0|1,1,0]=4 1743 B8R1.11 CCN1C(=CC=N1)N E133315 [0,1,0,0,1,0|2,0,0]=4 1744 B8R1.11 CN1C=CN=C1CCl C186629 [0,1,0,0,1,0|2,0,0]=4 1745 B8R1.11 CN1C=CN=C1CN M586747 [0,1,0,0,1,0|2,0,0]=4 1746 B8R1.11 CN1C=CN=C1CO H157128 [0,1,0,0,1,0|1,1,0]=4 1747 B10R1.1 C1=CC(=CC=C1CC#N)Br B100849 [0,2,0,0,0,0|2,0,0]=4 1748 B10R1.1 C1=CC(=CC=C1CC#N)Cl C124714 [0,2,0,0,0,0|2,0,0]=4 1749 B10R1.1 C1=CC(=CC=C1CC#N)F F156616 [0,2,0,0,0,0|2,0,0]=4 1750 B10R1.1 C1=CC(=CC=C1CC#N)I I170725 [0,2,0,0,0,0|2,0,0]=4 1751 B10R1.1 C1=CC(=CC=C1CC#N)N A107271 [0,2,0,0,0,0|2,0,0]=4 1752 B10R1.1 C1=CC(=CC=C1CC#N)O H121848 [0,2,0,0,0,0|2,0,0]=4 1753 B10R1.1 C1=CC(=CC=C1CCBr)Br B167924 [0,2,0,0,0,0|2,0,0]=4 1754 B10R1.1 C1=CC(=CC=C1CCBr)Cl C121844 [0,2,0,0,0,0|2,0,0]=4 1755 B10R1.1 C1=CC(=CC=C1CCBr)F F121611 [0,2,0,0,0,0|2,0,0]=4 1756 B10R1.1 C1=CC(=CC=C1CCBr)O H167212 [0,2,0,0,0,0|2,0,0]=4 1757 B10R1.1 C1=CC(=CC=C1CCCl)F F156671 [0,2,0,0,0,0|2,0,0]=4 1758 B10R1.1 C1=CC(=CC=C1CCN)Br B101709 [0,2,0,0,0,0|2,0,0]=4 1759 B10R1.1 C1=CC(=CC=C1CCN)Br B494194 [0,2,0,0,0,0|2,0,0]=4 1760 B10R1.1 C1=CC(=CC=C1CCN)Br B494196 [0,2,0,0,0,0|2,0,0]=4 1761 B10R1.1 C1=CC(=CC=C1CCN)Cl C153968 [0,2,0,0,0,0|2,0,0]=4 1762 B10R1.1 C1=CC(=CC=C1CCN)Cl C493551 [0,2,0,0,0,0|2,0,0]=4 1763 B10R1.1 C1=CC(=CC=C1CCN)F F131906 [0,2,0,0,0,0|2,0,0]=4 1764 B10R1.1 C1=CC(=CC=C1CCN)F F292669 [0,2,0,0,0,0|2,0,0]=4 1765 B10R1.1 C1=CC(=CC=C1CCN)F F302836 [0,2,0,0,0,0|2,0,0]=4 1766 B10R1.1 C1=CC(=CC=C1CCN)F F493198 [0,2,0,0,0,0|2,0,0]=4 1767 B10R1.1 C1=CC(=CC=C1CCN)N A151503 [0,2,0,0,0,0|2,0,0]=4 1768 B10R1.1 C1=CC(=CC=C1CCN)O T105543 [0,2,0,0,0,0|2,0,0]=4 1769 B10R1.1 C1=CC(=CC=C1CCN)O T107153 [0,2,0,0,0,0|2,0,0]=4 1770 B10R1.1 C1=CC(=CC=C1CCN)O T424437 [0,2,0,0,0,0|2,0,0]=4 1771 B10R1.1 C1=CC(=CC=C1CCO)Br B153115 [0,2,0,0,0,0|1,1,0]=4 1772 B10R1.1 C1=CC(=CC=C1CCO)Cl C121856 [0,2,0,0,0,0|1,1,0]=4 1773 B10R1.1 C1=CC(=CC=C1CCO)F F136730 [0,2,0,0,0,0|1,1,0]=4 1774 B10R1.1 C1=CC(=CC=C1CCO)N A151120 [0,2,0,0,0,0|1,1,0]=4 1775 B10R1.1 C1=CC(=CC=C1CCO)O H106325 [0,2,0,0,0,0|1,1,0]=4 1776 B10R1.1 C1=CC(=CC=C1CCO)O H118576 [0,2,0,0,0,0|1,1,0]=4 1777 B10R1.1 C1=CC(=CC=C1CCO)O H424324 [0,2,0,0,0,0|1,1,0]=4 1778 B10R1.1 C1=CC(=CC=C1CON)F A184897 [0,2,0,0,0,0|1,1,0]=4 1779 B10R1.1 C1=CC(=NC=C1Br)CC#N B176084 [0,2,0,0,0,0|1,0,0]=3 1780 B10R1.1 C=CCC1=CC=C(C=C1)O A589273 [0,2,0,0,0,0|2,0,0]=4 1781 B10R1.1 CC1=CC=C(C=C1)CC#N P160068 [0,2,0,0,0,0|2,0,0]=4 1782 B10R1.1 CC1=CC=C(C=C1)CC=C A169644 [0,2,0,0,0,0|2,0,0]=4 1783 B10R1.1 CC1=CC=C(C=C1)CC=O P586228 [0,2,0,0,0,0|1,1,0]=4 1784 B10R1.1 CC1=CC=C(C=C1)CCBr M469504 [0,2,0,0,0,0|2,0,0]=4 1785 B10R1.1 CC1=CC=C(C=C1)CCN M493506 [0,2,0,0,0,0|2,0,0]=4 1786 B10R1.1 CC1=CC=C(C=C1)CCN P101999 [0,2,0,0,0,0|2,0,0]=4 1787 B10R1.1 CC1=CC=C(C=C1)CCO I135268 [0,2,0,0,0,0|1,1,0]=4 1788 B10R1.1 CC1=CC=C(C=C1)CNC N300479 [0,2,0,0,0,0|2,0,0]=4 1789 B10R1.1 CCCC1=CC=C(C=C1)Br B101884 [0,2,0,0,0,0|2,0,0]=4 1790 B10R1.1 CCCC1=CC=C(C=C1)C P160392 [0,2,0,0,0,0|2,0,0]=4 1791 B10R1.1 CCCC1=CC=C(C=C1)Cl C303901 [0,2,0,0,0,0|2,0,0]=4 1792 B10R1.1 CCCC1=CC=C(C=C1)N P136525 [0,2,0,0,0,0|2,0,0]=4 1793 B10R1.1 CCCC1=CC=C(C=C1)O P136692 [0,2,0,0,0,0|2,0,0]=4 1794 B10R1.1 CCNC1=CC=C(C=C1)C N158982 [0,2,0,0,0,0|2,0,0]=4 1795 B10R1.1 CCNC1=NN=C(C=C1)Cl C349279 [0,2,0,0,0,0|2,0,0]=4 1796 B10R1.1 CCOC1=CC=C(C=C1)Br B113334 [0,2,0,0,0,0|2,0,0]=4 1797 B10R1.1 CCOC1=CC=C(C=C1)Cl C304178 [0,2,0,0,0,0|2,0,0]=4 1798 B10R1.1 CCOC1=CC=C(C=C1)F F156673 [0,2,0,0,0,0|2,0,0]=4 1799 B10R1.1 CCOC1=CC=C(C=C1)I I111883 [0,2,0,0,0,0|2,0,0]=4 1800 B10R1.1 CCOC1=CC=C(C=C1)N E108459 [0,2,0,0,0,0|2,0,0]=4 1801 B10R1.1 CCOC1=CC=C(C=C1)N P160470 [0,2,0,0,0,0|2,0,0]=4 1802 B10R1.1 CCOC1=CC=C(C=C1)O E124314 [0,2,0,0,0,0|2,0,0]=4 1803 B10R1.1 CCOC1=NC=C(C=C1)Br B122972 [0,2,0,0,0,0|1,0,0]=3 1804 B10R1.1 CCOC1=NC=C(C=C1)Cl C588198 [0,2,0,0,0,0|1,0,0]=3 1805 B10R1.1 CCOC1=NN=C(C=C1)N E184272 [0,2,0,0,0,0|2,0,0]=4 1806 B10R1.1 CNCC1=CC=C(C=C1)Br B186104 [0,2,0,0,0,0|2,0,0]=4 1807 B10R1.1 CNCC1=CC=C(C=C1)Cl C153967 [0,2,0,0,0,0|2,0,0]=4 1808 B10R1.1 CNCC1=CC=C(C=C1)F F156709 [0,2,0,0,0,0|2,0,0]=4 1809 B10R1.1 COCC1=CC=C(C=C1)Br B181671 [0,2,0,0,0,0|1,1,0]=4 1810 B10R1.1 COCC1=CC=C(C=C1)O M170858 [0,2,0,0,0,0|1,1,0]=4 1811 B10R1.3 C#CC1=CC=C(C=C1)CCl C586270 [0,2,0,0,0,0|2,0,0]=4 1812 B10R1.3 C#CC1=CC=C(C=C1)CO E302152 [0,2,0,0,0,0|1,1,0]=4 1813 B10R1.3 C#CC1=CN=C(C=C1)C#C D404161 [0,2,0,0,0,0|1,0,1]=4 1814 B10R1.3 C1=CC(=CC=C1CBr)C#N C153839 [0,2,0,0,0,0|2,0,0]=4 1815 B10R1.3 C1=CC(=CC=C1CBr)C=O B184885 [0,2,0,0,0,0|2,0,0]=4 1816 B10R1.3 C1=CC(=CC=C1CBr)CBr D100654 [0,2,0,0,0,0|2,0,0]=4 1817 B10R1.3 C1=CC(=CC=C1CCl)C#N C101656 [0,2,0,0,0,0|2,0,0]=4 1818 B10R1.3 C1=CC(=CC=C1CCl)C=O C194802 [0,2,0,0,0,0|2,0,0]=4 1819 B10R1.3 C1=CC(=CC=C1CCl)CCl D104515 [0,2,0,0,0,0|2,0,0]=4 1820 B10R1.3 C1=CC(=CC=C1CN)C#N A132657 [0,2,0,0,0,0|2,0,0]=4 1821 B10R1.3 C1=CC(=CC=C1CN)CN P292859 [0,2,0,0,0,0|2,0,0]=4 1822 B10R1.3 C1=CC(=CC=C1CN)CN X113802 [0,2,0,0,0,0|2,0,0]=4 1823 B10R1.3 C1=CC(=CC=C1CN)CO A184295 [0,2,0,0,0,0|1,1,0]=4 1824 B10R1.3 C1=CC(=CC=C1CO)C#N H124046 [0,2,0,0,0,0|1,1,0]=4 1825 B10R1.3 C1=CC(=CC=C1CO)C=O H193722 [0,2,0,0,0,0|1,1,0]=4 1826 B10R1.3 C1=CC(=CC=C1CO)CCl W131919 [0,2,0,0,0,0|1,1,0]=4 1827 B10R1.3 C1=CC(=CC=C1CO)CO B107001 [0,2,0,0,0,0|1,1,0]=4 1828 B10R1.3 C1=CC(=CC=C1CS)CS B101791 [0,2,0,0,0,0|1,0,0]=3 1829 B10R1.3 C1=CC(=NC=C1C#N)C#N P588046 [0,2,0,0,0,0|1,0,1]=4 1830 B10R1.3 C1=CC(=NC=C1C#N)CBr B587456 [0,2,0,0,0,0|1,0,0]=3 1831 B10R1.3 C1=CC(=NC=C1C=O)C#N F181154 [0,2,0,0,0,0|1,0,1]=4 1832 B10R1.3 C1=CC(=NC=C1CBr)C#N B588663 [0,2,0,0,0,0|1,0,1]=4 1833 B10R1.3 C=CC1=CC=C(C=C1)CCl V141224 [0,2,0,0,0,0|2,0,0]=4 1834 B10R1.3 C=CC1=CC=C(C=C1)CCl V592268 [0,2,0,0,0,0|2,0,0]=4 1835 B10R1.3 C=CC1=CC=C(C=C1)CN V123986 [0,2,0,0,0,0|2,0,0]=4 1836 B10R1.3 CCC1=CC=C(C=C1)C#C E115541 [0,2,0,0,0,0|2,0,0]=4 1837 B10R1.3 CCC1=CC=C(C=C1)C#N E169049 [0,2,0,0,0,0|2,0,0]=4 1838 B10R1.3 CCC1=CC=C(C=C1)C=O E102795 [0,2,0,0,0,0|2,0,0]=4 1839 B10R1.3 CCC1=CC=C(C=C1)CC D107652 [0,2,0,0,0,0|2,0,0]=4 1840 B10R1.3 CCC1=CC=C(C=C1)CC D107653 [0,2,0,0,0,0|2,0,0]=4 1841 B10R1.3 CCC1=CC=C(C=C1)CCl E299918 [0,2,0,0,0,0|2,0,0]=4 1842 B10R1.3 CCC1=CC=C(C=C1)CCl E399766 [0,2,0,0,0,0|2,0,0]=4 1843 B10R1.3 CCC1=CC=C(C=C1)CO E156110 [0,2,0,0,0,0|1,1,0]=4 1844 B10R1.3 CCC1=CC=C(C=C1)NN E185066 [0,2,0,0,0,0|2,0,0]=4 1845 B10R1.3 CCC1=CC=C(C=C1)OC E137475 [0,2,0,0,0,0|2,0,0]=4 1846 B10R1.3 COC1=CC=C(C=C1)CCl M491599 [0,2,0,0,0,0|2,0,0]=4 1847 B10R1.3 COC1=CC=C(C=C1)CN M123767 [0,2,0,0,0,0|2,0,0]=4 1848 B10R1.3 COC1=CC=C(C=C1)CO M107568 [0,2,0,0,0,0|1,1,0]=4 1849 B10R1.3 COC1=CC=C(C=C1)CS M101790 [0,2,0,0,0,0|1,0,0]=3 1850 B10R1.3 COC1=CC=C(C=C1)CS M414622 [0,2,0,0,0,0|1,0,0]=3 1851 B10R1.3 COC1=CN=C(C=C1)C#N M178084 [0,2,0,0,0,0|1,0,1]=4 1852 B10R1.3 COC1=CN=C(C=C1)C=O M182921 [0,2,0,0,0,0|0,1,1]=4 1853 B10R1.3 COC1=CN=C(C=C1)CO M190450 [0,2,0,0,0,0|0,1,0]=3 1854 B10R1.3 COC1=NC=C(C=C1)C#N M167622 [0,2,0,0,0,0|2,0,0]=4 1855 B10R1.3 COC1=NC=C(C=C1)C=O M115769 [0,2,0,0,0,0|2,0,0]=4 1856 B10R1.3 COC1=NC=C(C=C1)CN M177670 [0,2,0,0,0,0|2,0,0]=4 1857 B10R1.3 COC1=NC=C(C=C1)CO M176865 [0,2,0,0,0,0|2,0,0]=4 1858 B10R1.3 CSC1=CC=C(C=C1)CCl M101851 [0,2,0,0,0,0|2,0,0]=4 1859 B10R1.3 CSC1=CC=C(C=C1)CO M101850 [0,2,0,0,0,0|1,1,0]=4 1860 B10R1.13 C1=CC(=CC=C1C(Cl)Cl)F F156706 [0,2,0,0,0,0|2,0,0]=4 1861 B10R1.13 C1=CC(=CC=C1C(F)F)Br B184912 [0,2,0,0,0,0|2,0,0]=4 1862 B10R1.13 C1=CC(=NC=C1Br)C(=O)O B151859 [0,2,0,0,0,0|0,1,1]=4 1863 B10R1.13 C1=CC(=NC=C1Br)C(F)F B186884 [0,2,0,0,0,0|1,0,0]=3 1864 B10R1.13 C1=CC(=NC=C1Br)[N+](=O)[O-] B121644 [0,2,0,0,0,0|1,1,0]=4 1865 B10R1.13 C1=CC(=NC=C1Cl)C(=O)O C137081 [0,2,0,0,0,0|0,1,1]=4 1866 B10R1.13 C1=CC(=NC=C1Cl)[N+](=O)[O-] N134993 [0,2,0,0,0,0|1,1,0]=4 1867 B10R1.13 C1=CC(=NC=C1F)C(=O)O F137992 [0,2,0,0,0,0|0,1,1]=4 1868 B10R1.13 C1=CC(=NC=C1F)[N+](=O)[O-] F186598 [0,2,0,0,0,0|1,1,0]=4 1869 B10R1.13 C1=CC(=NC=C1N)C(=O)O A123111 [0,2,0,0,0,0|0,1,1]=4 1870 B10R1.13 C1=CC(=NC=C1N)C(=S)N A471765 [0,2,0,0,0,0|0,0,2]=4 1871 B10R1.13 C1=CC(=NC=C1O)C(=O)O H156934 [0,2,0,0,0,0|0,1,1]=4 1872 B10R1.13 C1=CC(=NC=C1O)[N+](=O)[O-] H191090 [0,2,0,0,0,0|1,1,0]=4 1873 B10R1.13 CC(=O)C1=NC=C(C=C1)Br B182791 [0,2,0,0,0,0|0,1,1]=4 1874 B10R1.13 CC(=O)C1=NC=C(C=C1)O H194521 [0,2,0,0,0,0|0,1,1]=4 1875 B10R1.13 CC(C)C1=CC=C(C=C1)Br B102079 [0,2,0,0,0,0|2,0,0]=4 1876 B10R1.13 CC(C)C1=CC=C(C=C1)I I587659 [0,2,0,0,0,0|2,0,0]=4 1877 B10R1.13 CC(C)C1=CC=C(C=C1)N I101369 [0,2,0,0,0,0|2,0,0]=4 1878 B10R1.13 CC(C)C1=CC=C(C=C1)N I106863 [0,2,0,0,0,0|2,0,0]=4 1879 B10R1.13 CC(C)C1=CC=C(C=C1)O I101756 [0,2,0,0,0,0|2,0,0]=4 1880 B10R1.13 CC(C)C1=CC=C(C=C1)S I101777 [0,2,0,0,0,0|2,0,0]=4 1881 B10R1.13 CC(C)C1=NC=C(C=C1)Br B586459 [0,2,0,0,0,0|1,0,0]=3 1882 B10R1.13 CC(C)C1=NC=C(C=C1)N P176415 [0,2,0,0,0,0|1,0,0]=3 1883 B10R1.13 CC(C1=CC=C(C=C1)Br)N B113790 [0,2,0,0,0,0|2,0,0]=4 1884 B10R1.13 CC(C1=CC=C(C=C1)Br)N B151926 [0,2,0,0,0,0|2,0,0]=4 1885 B10R1.13 CC(C1=CC=C(C=C1)Br)N R138868 [0,2,0,0,0,0|2,0,0]=4 1886 B10R1.13 CC(C1=CC=C(C=C1)Br)N R409459 [0,2,0,0,0,0|2,0,0]=4 1887 B10R1.13 CC(C1=CC=C(C=C1)Br)O B153117 [0,2,0,0,0,0|1,1,0]=4 1888 B10R1.13 CC(C1=CC=C(C=C1)Br)O I131837 [0,2,0,0,0,0|1,1,0]=4 1889 B10R1.13 CC(C1=CC=C(C=C1)Cl)N C111118 [0,2,0,0,0,0|2,0,0]=4 1890 B10R1.13 CC(C1=CC=C(C=C1)Cl)N C171312 [0,2,0,0,0,0|2,0,0]=4 1891 B10R1.13 CC(C1=CC=C(C=C1)Cl)N C185668 [0,2,0,0,0,0|2,0,0]=4 1892 B10R1.13 CC(C1=CC=C(C=C1)Cl)N R588512 [0,2,0,0,0,0|2,0,0]=4 1893 B10R1.13 CC(C1=CC=C(C=C1)Cl)O C153305 [0,2,0,0,0,0|1,1,0]=4 1894 B10R1.13 CC(C1=CC=C(C=C1)Cl)O S196166 [0,2,0,0,0,0|1,1,0]=4 1895 B10R1.13 CC(C1=CC=C(C=C1)F)N F122770 [0,2,0,0,0,0|2,0,0]=4 1896 B10R1.13 CC(C1=CC=C(C=C1)F)N R303591 [0,2,0,0,0,0|2,0,0]=4 1897 B10R1.13 CC(C1=CC=C(C=C1)F)O F156599 [0,2,0,0,0,0|1,1,0]=4 1898 B10R1.13 CC(C1=CC=C(C=C1)I)N I195715 [0,2,0,0,0,0|2,0,0]=4 1899 B10R1.13 CC(C1=CC=C(C=C1)I)N L489513 [0,2,0,0,0,0|2,0,0]=4 1900 B10R1.13 CC(C1=CC=C(C=C1)I)N R489522 [0,2,0,0,0,0|2,0,0]=4 1901 B10R1.13 CC(C1=CC=C(C=C1)I)N S489515 [0,2,0,0,0,0|2,0,0]=4 1902 B10R1.13 CC(C1=CC=C(C=C1)N)O H167342 [0,2,0,0,0,0|1,1,0]=4 1903 B10R1.13 CC(C1=CC=C(C=C1)O)O H192225 [0,2,0,0,0,0|1,1,0]=4 1904 B10R1.13 CC(C1=NC=C(C=C1)Br)N B489562 [0,2,0,0,0,0|1,0,0]=3 1905 B10R1.13 CC(C1=NC=C(C=C1)Br)N R489263 [0,2,0,0,0,0|1,0,0]=3 1906 B10R1.13 CC(C1=NC=C(C=C1)Br)N S489604 [0,2,0,0,0,0|1,0,0]=3 1907 B10R1.13 CC1=CC=C(C=C1)C(C)C D102667 [0,2,0,0,0,0|2,0,0]=4 1908 B10R1.13 CC1=CC=C(C=C1)C(C)C D118512 [0,2,0,0,0,0|2,0,0]=4 1909 B10R1.13 CC1=CC=C(C=C1)C(C)C I105448 [0,2,0,0,0,0|2,0,0]=4 1910 B10R1.13 CC1=CC=C(C=C1)C(C)C I105449 [0,2,0,0,0,0|2,0,0]=4 1911 B10R1.13 CC1=CC=C(C=C1)C(C)C I105451 [0,2,0,0,0,0|2,0,0]=4 1912 B10R1.13 CC1=CC=C(C=C1)C(C)N D113666 [0,2,0,0,0,0|2,0,0]=4 1913 B10R1.13 CC1=CC=C(C=C1)C(C)N P160184 [0,2,0,0,0,0|2,0,0]=4 1914 B10R1.13 CC1=CC=C(C=C1)C(C)N R160847 [0,2,0,0,0,0|2,0,0]=4 1915 B10R1.13 CC1=CC=C(C=C1)C(C)O P160711 [0,2,0,0,0,0|1,1,0]=4 1916 B10R1.13 CC1=CN=C(C=C1)C(=O)C A185017 [0,2,0,0,0,0|0,1,1]=4 1917 B10R1.13 CC1=CN=C(C=C1)C(=O)O M193433 [0,2,0,0,0,0|0,1,1]=4 1918 B10R1.13 CC1=CN=C(C=C1)[N+](=O)[O-] N179288 [0,2,0,0,0,0|1,1,0]=4 1919 B10R1.25 C1=C(C=NC(=C1Br)C#N)F B188570 [0,2,0,0,0,0|1,0,1]=4 1920 B10R1.25 C1=C(C=NC(=C1Cl)C#N)Br B188530 [0,2,0,0,0,0|1,0,1]=4 1921 B10R1.25 C1=C(C=NC(=C1Cl)C#N)Cl D134044 [0,2,0,0,0,0|1,0,1]=4 1922 B10R1.25 C1=C(C=NC(=C1F)C#N)F C119653 [0,2,0,0,0,0|1,0,1]=4 1923 B10R1.25 C1=C(C=NC(=C1F)CO)Br B172546 [0,2,0,0,0,0|0,1,0]=3 1924 B10R1.25 C1=C(C=NC(=C1N)C#N)Br A185306 [0,2,0,0,0,0|1,0,1]=4 1925 B10R1.25 C1=C(C=NC(=C1N)C=O)Br A173233 [0,2,0,0,0,0|0,1,1]=4 1926 B10R1.25 C1=C(C=NC(=C1N)CO)Br A173629 [0,2,0,0,0,0|0,1,0]=3 1927 B10R1.25 C1=CC(=C(C=C1Br)Br)CO D154156 [0,2,0,0,0,0|1,1,0]=4 1928 B10R1.25 C1=CC(=C(C=C1Br)Cl)CO B182302 [0,2,0,0,0,0|1,1,0]=4 1929 B10R1.25 C1=CC(=C(C=C1Br)F)CBr B120594 [0,2,0,0,0,0|2,0,0]=4 1930 B10R1.25 C1=CC(=C(C=C1Br)F)CCl B152645 [0,2,0,0,0,0|2,0,0]=4 1931 B10R1.25 C1=CC(=C(C=C1Br)F)CO B168173 [0,2,0,0,0,0|1,1,0]=4 1932 B10R1.25 C1=CC(=C(C=C1Br)N)CO A188537 [0,2,0,0,0,0|1,1,0]=4 1933 B10R1.25 C1=CC(=C(C=C1Cl)Cl)CBr B191953 [0,2,0,0,0,0|2,0,0]=4 1934 B10R1.25 C1=CC(=C(C=C1Cl)Cl)CCl D405586 [0,2,0,0,0,0|2,0,0]=4 1935 B10R1.25 C1=CC(=C(C=C1Cl)Cl)CN D154480 [0,2,0,0,0,0|2,0,0]=4 1936 B10R1.25 C1=CC(=C(C=C1Cl)Cl)CO D154151 [0,2,0,0,0,0|1,1,0]=4 1937 B10R1.25 C1=CC(=C(C=C1Cl)Cl)CO D422163 [0,2,0,0,0,0|1,1,0]=4 1938 B10R1.25 C1=CC(=C(C=C1Cl)Cl)CS D155416 [0,2,0,0,0,0|1,0,0]=3 1939 B10R1.25 C1=CC(=C(C=C1Cl)F)CBr C153563 [0,2,0,0,0,0|2,0,0]=4 1940 B10R1.25 C1=CC(=C(C=C1Cl)F)CO C185242 [0,2,0,0,0,0|1,1,0]=4 1941 B10R1.25 C1=CC(=C(C=C1Cl)N)CO A169996 [0,2,0,0,0,0|1,1,0]=4 1942 B10R1.25 C1=CC(=C(C=C1F)Br)CO B133187 [0,2,0,0,0,0|1,1,0]=4 1943 B10R1.25 C1=CC(=C(C=C1F)Cl)CBr C123478 [0,2,0,0,0,0|2,0,0]=4 1944 B10R1.25 C1=CC(=C(C=C1F)Cl)CCl C153561 [0,2,0,0,0,0|2,0,0]=4 1945 B10R1.25 C1=CC(=C(C=C1F)Cl)CN C124426 [0,2,0,0,0,0|2,0,0]=4 1946 B10R1.25 C1=CC(=C(C=C1F)Cl)CO C133066 [0,2,0,0,0,0|1,1,0]=4 1947 B10R1.25 C1=CC(=C(C=C1F)F)CBr D120599 [0,2,0,0,0,0|2,0,0]=4 1948 B10R1.25 C1=CC(=C(C=C1F)F)CCl D122811 [0,2,0,0,0,0|2,0,0]=4 1949 B10R1.25 C1=CC(=C(C=C1F)F)CN D122767 [0,2,0,0,0,0|2,0,0]=4 1950 B10R1.25 C1=CC(=C(C=C1F)F)CO D154518 [0,2,0,0,0,0|1,1,0]=4 1951 B10R1.25 CC1=C(C=CC(=C1)Br)CN B193071 [0,2,0,0,0,0|2,0,0]=4 1952 B10R1.25 CC1=C(C=CC(=C1)Br)CN M491375 [0,2,0,0,0,0|2,0,0]=4 1953 B10R1.25 CC1=C(C=CC(=C1)Br)CO B153118 [0,2,0,0,0,0|1,1,0]=4 1954 B10R1.25 CC1=C(C=CC(=C1)Cl)CO C153314 [0,2,0,0,0,0|1,1,0]=4 1955 B10R1.25 CC1=C(C=CC(=C1)F)CBr F137397 [0,2,0,0,0,0|2,0,0]=4 1956 B10R1.25 CC1=CC(=C(C=C1)CCl)C D304725 [0,2,0,0,0,0|2,0,0]=4 1957 B10R1.25 CC1=CC(=C(C=C1)CO)C D155716 [0,2,0,0,0,0|1,1,0]=4 1958 B10R1.25 CC1=CC(=C(C=C1)CO)Cl C588985 [0,2,0,0,0,0|1,1,0]=4 1959 B10R1.25 CC1=CC(=C(N=C1)C#N)C D469646 [0,2,0,0,0,0|1,0,1]=4 1960 B10R1.25 CC1=CC(=C(N=C1)CCl)C C590035 [0,2,0,0,0,0|1,0,0]=3 1961 B10R1.25 CC1=CC(=C(N=C1)OC)Br B186222 [0,2,0,0,0,0|2,0,0]=4 1962 B10R1.25 CC1=CC(=CN=C1C#N)Br B181763 [0,2,0,0,0,0|1,0,1]=4 1963 B10R1.25 CC1=CC(=CN=C1C=O)Br B355007 [0,2,0,0,0,0|0,1,1]=4 1964 B10R1.25 CC1=CC(=CN=C1OC)N W136054 [0,2,0,0,0,0|2,0,0]=4 1965 B10R1.25 CCC1=C(C=C(C=C1)C)C E156304 [0,2,0,0,0,0|2,0,0]=4 1966 B10R1.25 CCC1=C(C=C(C=C1)O)O E100551 [0,2,0,0,0,0|2,0,0]=4 1967 B10R1.25 CCC1=NC=C(N=C1C)C E103761 [0,2,0,0,0,0|2,0,0]=4 1968 B10R1.25 CCC1=NC=C(N=C1C)C E133774 [0,2,0,0,0,0|2,0,0]=4 1969 B10R1.25 COC1=C(C=C(C=N1)Br)Br W131876 [0,2,0,0,0,0|2,0,0]=4 1970 B10R1.25 COC1=C(C=C(C=N1)Br)Cl B136789 [0,2,0,0,0,0|2,0,0]=4 1971 B10R1.25 COC1=C(C=C(C=N1)Br)F B180531 [0,2,0,0,0,0|2,0,0]=4 1972 B10R1.25 COC1=C(C=C(C=N1)Br)I B479205 [0,2,0,0,0,0|2,0,0]=4 1973 B10R1.25 COC1=C(C=C(C=N1)Br)N B590515 [0,2,0,0,0,0|2,0,0]=4 1974 B10R1.25 COC1=C(C=C(C=N1)Cl)Br B165529 [0,2,0,0,0,0|2,0,0]=4 1975 B10R1.25 COC1=C(C=C(C=N1)F)Br B187647 [0,2,0,0,0,0|2,0,0]=4 1976 B10R1.25 COC1=C(C=C(C=N1)F)F D133212 [0,2,0,0,0,0|2,0,0]=4 1977 B10R1.25 COC1=C(C=C(C=N1)N)Br A185025 [0,2,0,0,0,0|2,0,0]=4 1978 B10R1.25 COC1=C(C=C(C=N1)N)Cl C191174 [0,2,0,0,0,0|2,0,0]=4 1979 B10R1.176 C1=C(OC=C(C1=O)O)CO K105452 [0,2,0,0,0,0|1,1,0]=4 1980 B10R1.176 C1=C(OC=C(C1=O)O)CO K140848 [0,2,0,0,0,0|1,1,0]=4 1981 B10R1.176 C1=C(OC=C(C1=O)O)CO K424322 [0,2,0,0,0,0|1,1,0]=4 1982 B10R1.176 C1=CC(=C(C=C1CBr)Br)F B134543 [0,2,0,0,0,0|2,0,0]=4 1983 B10R1.176 C1=CC(=C(C=C1CBr)Cl)Cl D182371 [0,2,0,0,0,0|2,0,0]=4 1984 B10R1.176 C1=CC(=C(C=C1CBr)Cl)F C122802 [0,2,0,0,0,0|2,0,0]=4 1985 B10R1.176 C1=CC(=C(C=C1CBr)F)Br B132624 [0,2,0,0,0,0|2,0,0]=4 1986 B10R1.176 C1=CC(=C(C=C1CBr)F)Cl C122818 [0,2,0,0,0,0|2,0,0]=4 1987 B10R1.176 C1=CC(=C(C=C1CBr)F)F D120602 [0,2,0,0,0,0|2,0,0]=4 1988 B10R1.176 C1=CC(=C(C=C1CCl)Cl)Cl D165515 [0,2,0,0,0,0|2,0,0]=4 1989 B10R1.176 C1=CC(=C(C=C1CCl)F)F D120478 [0,2,0,0,0,0|2,0,0]=4 1990 B10R1.176 C1=CC(=C(C=C1CN)Cl)Cl D122964 [0,2,0,0,0,0|2,0,0]=4 1991 B10R1.176 C1=CC(=C(C=C1CN)Cl)F C113579 [0,2,0,0,0,0|2,0,0]=4 1992 B10R1.176 C1=CC(=C(C=C1CN)F)Br B589556 [0,2,0,0,0,0|2,0,0]=4 1993 B10R1.176 C1=CC(=C(C=C1CN)F)Cl C194761 [0,2,0,0,0,0|2,0,0]=4 1994 B10R1.176 C1=CC(=C(C=C1CN)F)F D155250 [0,2,0,0,0,0|2,0,0]=4 1995 B10R1.176 C1=CC(=C(C=C1CN)O)O D167718 [0,2,0,0,0,0|2,0,0]=4 1996 B10R1.176 C1=CC(=C(C=C1CO)Br)Cl B183729 [0,2,0,0,0,0|1,1,0]=4 1997 B10R1.176 C1=CC(=C(C=C1CO)Br)F B122794 [0,2,0,0,0,0|1,1,0]=4 1998 B10R1.176 C1=CC(=C(C=C1CO)Br)O B133783 [0,2,0,0,0,0|1,1,0]=4 1999 B10R1.176 C1=CC(=C(C=C1CO)Cl)Cl D154150 [0,2,0,0,0,0|1,1,0]=4 2000 B10R1.176 C1=CC(=C(C=C1CO)Cl)F C137482 [0,2,0,0,0,0|1,1,0]=4 2001 B10R1.176 C1=CC(=C(C=C1CO)F)Br B135371 [0,2,0,0,0,0|1,1,0]=4 2002 B10R1.176 C1=CC(=C(C=C1CO)F)Cl C182593 [0,2,0,0,0,0|1,1,0]=4 2003 B10R1.176 C1=CC(=C(C=C1CO)F)F D122815 [0,2,0,0,0,0|1,1,0]=4 2004 B10R1.176 C1=CC(=C(C=C1CO)O)O D155345 [0,2,0,0,0,0|1,1,0]=4 2005 B10R1.176 CC1=C(C=C(C=C1)CCl)C C189378 [0,2,0,0,0,0|2,0,0]=4 2006 B10R1.176 CC1=C(C=C(C=C1)CN)C D132092 [0,2,0,0,0,0|2,0,0]=4 2007 B10R1.176 CC1=C(C=C(C=C1)CO)C D331591 [0,2,0,0,0,0|1,1,0]=4 2008 B10R1.176 CC1=C(C=C(C=C1)CO)N A151061 [0,2,0,0,0,0|1,1,0]=4 2009 B10R1.176 CC1=C(C=CC(=C1)CBr)F F129140 [0,2,0,0,0,0|2,0,0]=4 2010 B10R1.176 CC1=C(C=CC(=C1)CN)F F122788 [0,2,0,0,0,0|2,0,0]=4 2011 B10R1.176 CC1=C(C=CC(=C1)CO)Br B181609 [0,2,0,0,0,0|1,1,0]=4 2012 B10R1.176 CC1=C(C=CC(=C1)CO)F F183255 [0,2,0,0,0,0|1,1,0]=4 2013 B10R1.176 CC1=C(C=CC(=N1)OC)Br B120739 [0,2,0,0,0,0|2,0,0]=4 2014 B10R1.176 CC1=C(C=CC(=N1)OC)N A184948 [0,2,0,0,0,0|2,0,0]=4 2015 B10R1.176 CC1=CC(=NC=C1Br)C#N B187712 [0,2,0,0,0,0|1,0,1]=4 2016 B10R1.176 CC1=CC(=NC=C1Br)OC W131917 [0,2,0,0,0,0|2,0,0]=4 2017 B10R1.176 CC1=CC(=NC=C1N)OC A185897 [0,2,0,0,0,0|2,0,0]=4 2018 B10R1.176 CCC1=CC(=C(C=C1)O)Br B589769 [0,2,0,0,0,0|2,0,0]=4 2019 B10R1.176 CCC1=CC(=C(C=C1)O)O E165960 [0,2,0,0,0,0|2,0,0]=4 2020 B10R1.176 CCC1=CN=C(C(=N1)C)C E156377 [0,2,0,0,0,0|2,0,0]=4 2021 B10R1.176 COC1=NC(=C(C=C1)Br)Cl B186590 [0,2,0,0,0,0|2,0,0]=4 2022 B10R1.176 COC1=NC(=C(C=C1)Br)F B586697 [0,2,0,0,0,0|2,0,0]=4 2023 B10R1.176 COC1=NC(=C(C=C1)Br)N B193667 [0,2,0,0,0,0|2,0,0]=4 2024 B10R1.176 COC1=NC(=C(C=C1)Cl)N A590054 [0,2,0,0,0,0|2,0,0]=4 2025 B10R1.176 COC1=NC(=C(C=C1)N)Br A181285 [0,2,0,0,0,0|2,0,0]=4 2026 B10R1.176 COC1=NC(=C(C=C1)N)Cl A169728 [0,2,0,0,0,0|2,0,0]=4 2027 B10R1.176 COC1=NC=C(C(=C1)F)Br B578685 [0,2,0,0,0,0|2,0,0]=4 2028 B10R1.2 C1=CC(=C(C(=C1)Br)F)CO B152063 [0,2,0,0,0,0|1,1,0]=4 2029 B10R1.2 C1=CC(=C(C(=C1)Cl)Cl)CBr D139027 [0,2,0,0,0,0|2,0,0]=4 2030 B10R1.2 C1=CC(=C(C(=C1)Cl)Cl)CCl D404144 [0,2,0,0,0,0|2,0,0]=4 2031 B10R1.2 C1=CC(=C(C(=C1)Cl)Cl)CN D136303 [0,2,0,0,0,0|2,0,0]=4 2032 B10R1.2 C1=CC(=C(C(=C1)Cl)Cl)CO D154154 [0,2,0,0,0,0|1,1,0]=4 2033 B10R1.2 C1=CC(=C(C(=C1)Cl)F)CBr C122801 [0,2,0,0,0,0|2,0,0]=4 2034 B10R1.2 C1=CC(=C(C(=C1)Cl)N)CO A194203 [0,2,0,0,0,0|1,1,0]=4 2035 B10R1.2 C1=CC(=C(C(=C1)F)Br)CBr B586517 [0,2,0,0,0,0|2,0,0]=4 2036 B10R1.2 C1=CC(=C(C(=C1)F)F)CBr D120598 [0,2,0,0,0,0|2,0,0]=4 2037 B10R1.2 C1=CC(=C(C(=C1)F)F)CN W136023 [0,2,0,0,0,0|2,0,0]=4 2038 B10R1.2 C1=CC(=C(C(=C1)F)F)CN W638566 [0,2,0,0,0,0|2,0,0]=4 2039 B10R1.2 C1=CC(=C(C(=C1)F)F)CO D124111 [0,2,0,0,0,0|1,1,0]=4 2040 B10R1.2 CC1=C(C(=CC=C1)CBr)F F299937 [0,2,0,0,0,0|2,0,0]=4 2041 B10R1.2 CC1=C(C(=CC=C1)CCl)C D302497 [0,2,0,0,0,0|2,0,0]=4 2042 B10R1.2 CC1=C(C(=CC=C1)CO)C D155715 [0,2,0,0,0,0|1,1,0]=4 2043 B10R1.2 CC1=C(C(=CC=C1)CO)N A350887 [0,2,0,0,0,0|1,1,0]=4 2044 B10R1.2 CC1=C(C(=NC=C1)C#N)Br B589981 [0,2,0,0,0,0|1,0,1]=4 2045 B10R1.2 CC1=C(C(=NC=C1)OC)Br B186221 [0,2,0,0,0,0|2,0,0]=4 2046 B10R1.2 CC1=C(C=CC=C1Br)CO B590279 [0,2,0,0,0,0|1,1,0]=4 2047 B10R1.2 CC1=C(C=CC=C1N)CO A349955 [0,2,0,0,0,0|1,1,0]=4 2048 B10R1.2 CCC1=C(C(=NC=N1)Cl)F C173724 [0,2,0,0,0,0|2,0,0]=4 2049 B10R1.2 CCC1=C(C(=O)C=CO1)O E117522 [0,2,0,0,0,0|2,0,0]=4 2050 B10R1.2 CCC1=C(C(=O)C=CO1)O E424264 [0,2,0,0,0,0|2,0,0]=4 2051 B10R1.2 CCC1=C(C(=O)NC=N1)F E181348 [0,2,0,0,0,0|2,0,0]=4 2052 B10R1.2 CCC1=CC=CC(=C1C)C E156303 [0,2,0,0,0,0|2,0,0]=4 2053 B10R1.2 CCC1=CC=CC(=C1N)C M113273 [0,2,0,0,0,0|2,0,0]=4 2054 B10R1.2 CCC1=CC=CC(=C1O)C E156227 [0,2,0,0,0,0|2,0,0]=4 2055 B10R1.2 COC1=NC=CC(=C1N)N B301204 [0,2,0,0,0,0|2,0,0]=4 2056 B10R1.8 C1=C(C=C(C=C1Br)Br)CBr D139007 [0,2,0,0,0,0|2,0,0]=4 2057 B10R1.8 C1=C(C=C(C=C1Br)Br)CO D302903 [0,2,0,0,0,0|1,1,0]=4 2058 B10R1.8 C1=C(C=C(C=C1Cl)Cl)CCl D192762 [0,2,0,0,0,0|2,0,0]=4 2059 B10R1.8 C1=C(C=C(C=C1Cl)Cl)CN D113534 [0,2,0,0,0,0|2,0,0]=4 2060 B10R1.8 C1=C(C=C(C=C1Cl)Cl)CO D139056 [0,2,0,0,0,0|1,1,0]=4 2061 B10R1.8 C1=C(C=C(C=C1F)Br)CBr B405238 [0,2,0,0,0,0|2,0,0]=4 2062 B10R1.8 C1=C(C=C(C=C1F)Br)CO B588148 [0,2,0,0,0,0|1,1,0]=4 2063 B10R1.8 C1=C(C=C(C=C1F)Cl)CBr C122804 [0,2,0,0,0,0|2,0,0]=4 2064 B10R1.8 C1=C(C=C(C=C1F)Cl)CO C133600 [0,2,0,0,0,0|1,1,0]=4 2065 B10R1.8 C1=C(C=C(C=C1F)F)CBr D120479 [0,2,0,0,0,0|2,0,0]=4 2066 B10R1.8 C1=C(C=C(C=C1F)F)CCl D182868 [0,2,0,0,0,0|2,0,0]=4 2067 B10R1.8 C1=C(C=C(C=C1F)F)CN D113488 [0,2,0,0,0,0|2,0,0]=4 2068 B10R1.8 C1=C(C=C(C=C1F)F)CO D122816 [0,2,0,0,0,0|1,1,0]=4 2069 B10R1.8 C1=C(C=C(C=C1O)O)CO D123605 [0,2,0,0,0,0|1,1,0]=4 2070 B10R1.8 CC1=CC(=CC(=C1)CBr)C D111807 [0,2,0,0,0,0|2,0,0]=4 2071 B10R1.8 CC1=CC(=CC(=C1)CO)C D169187 [0,2,0,0,0,0|1,1,0]=4 2072 B10R1.8 CCC1=CC(=CC(=C1)C)C E156311 [0,2,0,0,0,0|2,0,0]=4 2073 B10R1.8 CCC1=CC(=CC(=C1)F)F E156301 [0,2,0,0,0,0|2,0,0]=4 2074 B10R1.8 CNC1=NC(=CC(=C1)Cl)Cl D587781 [0,2,0,0,0,0|2,0,0]=4 2075 B10R1.10 C1=CC(=CC(=C1)Br)CC#N B122843 [0,2,0,0,0,0|2,0,0]=4 2076 B10R1.10 C1=CC(=CC(=C1)Br)CCN B101708 [0,2,0,0,0,0|2,0,0]=4 2077 B10R1.10 C1=CC(=CC(=C1)Br)CCO B102008 [0,2,0,0,0,0|1,1,0]=4 2078 B10R1.10 C1=CC(=CC(=C1)Cl)CC#N C132151 [0,2,0,0,0,0|2,0,0]=4 2079 B10R1.10 C1=CC(=CC(=C1)Cl)CCBr C167806 [0,2,0,0,0,0|2,0,0]=4 2080 B10R1.10 C1=CC(=CC(=C1)Cl)CCN C153963 [0,2,0,0,0,0|2,0,0]=4 2081 B10R1.10 C1=CC(=CC(=C1)Cl)CCO C153312 [0,2,0,0,0,0|1,1,0]=4 2082 B10R1.10 C1=CC(=CC(=C1)F)CC#N F122867 [0,2,0,0,0,0|2,0,0]=4 2083 B10R1.10 C1=CC(=CC(=C1)F)CCBr F135723 [0,2,0,0,0,0|2,0,0]=4 2084 B10R1.10 C1=CC(=CC(=C1)F)CCN W133696 [0,2,0,0,0,0|2,0,0]=4 2085 B10R1.10 C1=CC(=CC(=C1)F)CCO F156602 [0,2,0,0,0,0|1,1,0]=4 2086 B10R1.10 C1=CC(=CC(=C1)I)CC#N I157675 [0,2,0,0,0,0|2,0,0]=4 2087 B10R1.10 C1=CC(=CC(=C1)N)CCO A589356 [0,2,0,0,0,0|1,1,0]=4 2088 B10R1.10 C1=CC(=CC(=C1)O)CC#N M350354 [0,2,0,0,0,0|2,0,0]=4 2089 B10R1.10 C1=CC(=CC(=C1)O)CCO H167016 [0,2,0,0,0,0|1,1,0]=4 2090 B10R1.10 CC1=CC(=CC=C1)CC#N M158779 [0,2,0,0,0,0|2,0,0]=4 2091 B10R1.10 CC1=CC(=CC=C1)CC=C A169645 [0,2,0,0,0,0|2,0,0]=4 2092 B10R1.10 CC1=CC(=CC=C1)CCBr M332837 [0,2,0,0,0,0|2,0,0]=4 2093 B10R1.10 CC1=CC(=CC=C1)CCCl C193160 [0,2,0,0,0,0|2,0,0]=4 2094 B10R1.10 CC1=CC(=CC=C1)CCN M170979 [0,2,0,0,0,0|2,0,0]=4 2095 B10R1.10 CC1=CC(=CC=C1)CCO M157912 [0,2,0,0,0,0|1,1,0]=4 2096 B10R1.10 CC1=CC(=CC=C1)CNC M158625 [0,2,0,0,0,0|2,0,0]=4 2097 B10R1.10 CCCC1=CC=CC(=C1)C P160391 [0,2,0,0,0,0|2,0,0]=4 2098 B10R1.10 CCNC1=CC=CC(=C1)C E140164 [0,2,0,0,0,0|2,0,0]=4 2099 B10R1.10 CCNC1=NC(=NC=C1)Cl C195400 [0,2,0,0,0,0|2,0,0]=4 2100 B10R1.10 CCOC1=CC(=CC=C1)Br B136517 [0,2,0,0,0,0|2,0,0]=4 2101 B10R1.10 CCOC1=CC(=CC=C1)S E101783 [0,2,0,0,0,0|2,0,0]=4 2102 B10R1.10 CCOC1=CC=CC(=C1)N E101872 [0,2,0,0,0,0|2,0,0]=4 2103 B10R1.10 CCOC1=CC=CC(=C1)O E156223 [0,2,0,0,0,0|2,0,0]=4 2104 B10R1.10 CCOC1=NC(=CC=C1)Cl C154060 [0,2,0,0,0,0|1,0,0]=3 2105 B10R1.10 CCOC1=NC=CC(=C1)N A187936 [0,2,0,0,0,0|1,0,0]=3 2106 B10R1.10 CCOC1=NC=NC(=C1)C E339561 [0,2,0,0,0,0|2,0,0]=4 2107 B10R1.10 CCSC1=CC(=CC=C1)Br B168061 [0,2,0,0,0,0|2,0,0]=4 2108 B10R1.10 CNCC1=CC(=CC=C1)Br B121859 [0,2,0,0,0,0|2,0,0]=4 2109 B10R1.10 CNCC1=CC(=CC=C1)Br B140813 [0,2,0,0,0,0|2,0,0]=4 2110 B10R1.10 CNCC1=CC(=CC=C1)Cl C170092 [0,2,0,0,0,0|2,0,0]=4 2111 B10R1.10 CNCC1=CC(=CC=C1)F F156708 [0,2,0,0,0,0|2,0,0]=4 2112 B10R1.10 CNCC1=CC(=CC=C1)N A151692 [0,2,0,0,0,0|2,0,0]=4 2113 B10R1.30 C1=CC(=C(C=C1Br)CN)F B168372 [0,2,0,0,0,0|2,0,0]=4 2114 B10R1.30 C1=CC(=C(C=C1Br)CO)Cl B122792 [0,2,0,0,0,0|1,1,0]=4 2115 B10R1.30 C1=CC(=C(C=C1Br)CO)F B188962 [0,2,0,0,0,0|1,1,0]=4 2116 B10R1.30 C1=CC(=C(C=C1Br)CO)N A168462 [0,2,0,0,0,0|1,1,0]=4 2117 B10R1.30 C1=CC(=C(C=C1Br)CO)O B133074 [0,2,0,0,0,0|1,1,0]=4 2118 B10R1.30 C1=CC(=C(C=C1Cl)CBr)Br B589819 [0,2,0,0,0,0|2,0,0]=4 2119 B10R1.30 C1=CC(=C(C=C1Cl)CBr)Cl D136909 [0,2,0,0,0,0|2,0,0]=4 2120 B10R1.30 C1=CC(=C(C=C1Cl)CBr)F C133570 [0,2,0,0,0,0|2,0,0]=4 2121 B10R1.30 C1=CC(=C(C=C1Cl)CCl)Cl D137555 [0,2,0,0,0,0|2,0,0]=4 2122 B10R1.30 C1=CC(=C(C=C1Cl)CN)F C153582 [0,2,0,0,0,0|2,0,0]=4 2123 B10R1.30 C1=CC(=C(C=C1Cl)CO)Cl D300782 [0,2,0,0,0,0|1,1,0]=4 2124 B10R1.30 C1=CC(=C(C=C1Cl)CO)O C170839 [0,2,0,0,0,0|1,1,0]=4 2125 B10R1.30 C1=CC(=C(C=C1F)CBr)Br B122795 [0,2,0,0,0,0|2,0,0]=4 2126 B10R1.30 C1=CC(=C(C=C1F)CBr)Cl C153562 [0,2,0,0,0,0|2,0,0]=4 2127 B10R1.30 C1=CC(=C(C=C1F)CBr)F D120601 [0,2,0,0,0,0|2,0,0]=4 2128 B10R1.30 C1=CC(=C(C=C1F)CCl)F D155239 [0,2,0,0,0,0|2,0,0]=4 2129 B10R1.30 C1=CC(=C(C=C1F)CN)Cl C122765 [0,2,0,0,0,0|2,0,0]=4 2130 B10R1.30 C1=CC(=C(C=C1F)CN)F D136497 [0,2,0,0,0,0|2,0,0]=4 2131 B10R1.30 C1=CC(=C(C=C1F)CO)Br B122634 [0,2,0,0,0,0|1,1,0]=4 2132 B10R1.30 C1=CC(=C(C=C1F)CO)Cl C133132 [0,2,0,0,0,0|1,1,0]=4 2133 B10R1.30 C1=CC(=C(C=C1F)CO)F D122812 [0,2,0,0,0,0|1,1,0]=4 2134 B10R1.30 C1=CC(=C(C=C1F)CO)N F186404 [0,2,0,0,0,0|1,1,0]=4 2135 B10R1.30 C1=CC(=C(C=C1I)CO)Br B196012 [0,2,0,0,0,0|1,1,0]=4 2136 B10R1.30 C1=CC(=C(C=C1N)CO)Cl A349954 [0,2,0,0,0,0|1,1,0]=4 2137 B10R1.30 C1=CC(=NC(=C1Br)C#N)Cl B165673 [0,2,0,0,0,0|1,0,1]=4 2138 B10R1.30 C1=CC(=NC(=C1Br)CO)Cl M491309 [0,2,0,0,0,0|0,1,0]=3 2139 B10R1.30 C1=CC(=NC(=C1Cl)C#N)Cl D587626 [0,2,0,0,0,0|1,0,1]=4 2140 B10R1.30 C1=CC(=NC(=C1F)C=O)Br B177927 [0,2,0,0,0,0|0,1,1]=4 2141 B10R1.30 C1=CC(=NC(=C1F)C=O)Cl C195531 [0,2,0,0,0,0|0,1,1]=4 2142 B10R1.30 CC1=C(C=C(C=C1)Br)CO B405196 [0,2,0,0,0,0|1,1,0]=4 2143 B10R1.30 CC1=C(C=C(C=C1)F)CBr F122821 [0,2,0,0,0,0|2,0,0]=4 2144 B10R1.30 CC1=C(C=C(C=C1)F)CCl F122820 [0,2,0,0,0,0|2,0,0]=4 2145 B10R1.30 CC1=CC(=C(C=C1)N)CO A169771 [0,2,0,0,0,0|1,1,0]=4 2146 B10R1.30 CC1=NC(=C(C=C1)Br)OC B589982 [0,2,0,0,0,0|2,0,0]=4 2147 B10R1.30 CC1=NC(=C(C=C1)O)CO L170275 [0,2,0,0,0,0|0,1,0]=3 2148 B10R1.30 CCC1=C(C=CC(=C1)Br)N B301247 [0,2,0,0,0,0|2,0,0]=4 2149 B10R1.30 CCC1=C(C=CC(=C1)C)C E404389 [0,2,0,0,0,0|2,0,0]=4 2150 B10R1.30 CCC1=C(C=CC(=C1)F)O E170137 [0,2,0,0,0,0|2,0,0]=4 2151 B10R1.30 CCC1=C(C=CC(=C1)O)Cl C153527 [0,2,0,0,0,0|2,0,0]=4 2152 B10R1.30 CCC1=C(C=CC(=N1)C)O E134371 [0,2,0,0,0,0|1,0,0]=3 2153 B10R1.30 CCC1=C(C=CC(=N1)C)O E404399 [0,2,0,0,0,0|1,0,0]=3 2154 B10R1.30 COC1=C(C=CC(=N1)Br)N A187873 [0,2,0,0,0,0|2,0,0]=4 2155 B10R1.113 C1=CC(=CC(=C1)Br)C(F)F B183508 [0,2,0,0,0,0|2,0,0]=4 2156 B10R1.113 C1=CC(=NC(=C1)Br)C(=O)N B183154 [0,2,0,0,0,0|0,1,1]=4 2157 B10R1.113 C1=CC(=NC(=C1)Br)C(=O)O B151857 [0,2,0,0,0,0|0,1,1]=4 2158 B10R1.113 C1=CC(=NC(=C1)Br)[N+](=O)[O-] B182748 [0,2,0,0,0,0|1,1,0]=4 2159 B10R1.113 C1=CC(=NC(=C1)Cl)C(=O)N C186147 [0,2,0,0,0,0|0,1,1]=4 2160 B10R1.113 C1=CC(=NC(=C1)Cl)C(=O)O C117221 [0,2,0,0,0,0|0,1,1]=4 2161 B10R1.113 C1=CC(=NC(=C1)F)C(=O)O F122664 [0,2,0,0,0,0|0,1,1]=4 2162 B10R1.113 C1=CC(=NC(=C1)I)C(=O)O I170942 [0,2,0,0,0,0|0,1,1]=4 2163 B10R1.113 C1=CC(=NC(=C1)N)C(=O)O A120659 [0,2,0,0,0,0|0,1,1]=4 2164 B10R1.113 C1=CN=C(C=C1Br)C(=O)N B176958 [0,2,0,0,0,0|0,1,1]=4 2165 B10R1.113 C1=CN=C(C=C1Br)C(=O)O B151863 [0,2,0,0,0,0|0,1,1]=4 2166 B10R1.113 C1=CN=C(C=C1Br)C(F)F B586618 [0,2,0,0,0,0|1,0,0]=3 2167 B10R1.113 C1=CN=C(C=C1Cl)C(=O)N C124193 [0,2,0,0,0,0|0,1,1]=4 2168 B10R1.113 C1=CN=C(C=C1Cl)C(=O)O C107903 [0,2,0,0,0,0|0,1,1]=4 2169 B10R1.113 C1=CN=C(C=C1Cl)[N+](=O)[O-] C185834 [0,2,0,0,0,0|1,1,0]=4 2170 B10R1.113 C1=CN=C(C=C1I)C(=O)O I176420 [0,2,0,0,0,0|0,1,1]=4 2171 B10R1.113 C1=CN=C(C=C1N)C(=O)N A586082 [0,2,0,0,0,0|0,1,1]=4 2172 B10R1.113 C1=CN=C(C=C1N)C(=O)O A165325 [0,2,0,0,0,0|0,1,1]=4 2173 B10R1.113 CC(=O)C1=NC(=CC=C1)Br A115764 [0,2,0,0,0,0|0,1,1]=4 2174 B10R1.113 CC(=O)C1=NC=CC(=C1)Br B586273 [0,2,0,0,0,0|0,1,1]=4 2175 B10R1.113 CC(C)C1=CC(=CC=C1)Br B134202 [0,2,0,0,0,0|2,0,0]=4 2176 B10R1.113 CC(C)C1=CC(=CC=C1)N I107961 [0,2,0,0,0,0|2,0,0]=4 2177 B10R1.113 CC(C)C1=CC(=CC=C1)O I136677 [0,2,0,0,0,0|2,0,0]=4 2178 B10R1.113 CC(C1=CC(=CC=C1)Br)N I132915 [0,2,0,0,0,0|2,0,0]=4 2179 B10R1.113 CC(C1=CC(=CC=C1)Br)N I133228 [0,2,0,0,0,0|2,0,0]=4 2180 B10R1.113 CC(C1=CC(=CC=C1)Br)O D303896 [0,2,0,0,0,0|1,1,0]=4 2181 B10R1.113 CC(C1=CC(=CC=C1)Br)O S587024 [0,2,0,0,0,0|1,1,0]=4 2182 B10R1.113 CC(C1=CC(=CC=C1)Cl)O C153311 [0,2,0,0,0,0|1,1,0]=4 2183 B10R1.113 CC(C1=CC(=CC=C1)F)N R194943 [0,2,0,0,0,0|2,0,0]=4 2184 B10R1.113 CC(C1=CC(=CC=C1)F)N S193436 [0,2,0,0,0,0|2,0,0]=4 2185 B10R1.113 CC(C1=CC(=CC=C1)F)O E492423 [0,2,0,0,0,0|1,1,0]=4 2186 B10R1.113 CC(C1=CC(=CC=C1)F)O R586867 [0,2,0,0,0,0|1,1,0]=4 2187 B10R1.113 CC(C1=CC(=CC=C1)O)O H157331 [0,2,0,0,0,0|1,1,0]=4 2188 B10R1.113 CC(C1=NC(=CC=C1)Br)O B167167 [0,2,0,0,0,0|0,1,0]=3 2189 B10R1.113 CC1=CC(=CC=C1)C(C)C M158019 [0,2,0,0,0,0|2,0,0]=4 2190 B10R1.113 CC1=CC(=CC=C1)C(C)N M194671 [0,2,0,0,0,0|2,0,0]=4 2191 B10R1.113 CC1=CC(=NC=C1)C(=O)C A115766 [0,2,0,0,0,0|0,1,1]=4 2192 B10R1.113 CC1=NC(=CC=C1)C(=O)C A194623 [0,2,0,0,0,0|0,1,1]=4 2193 B10R1.113 CC1=NC(=CC=C1)C(=O)O M120707 [0,2,0,0,0,0|0,1,1]=4 2194 B10R1.113 CN(C)C1=NC(=CC=C1)Br B481531 [0,2,0,0,0,0|2,0,0]=4 2195 B10R1.113 CN(C)C1=NC=CC(=C1)Br B188536 [0,2,0,0,0,0|2,0,0]=4 2196 B10R1.172 C#CC1=NC(=CC=C1)C#C D155618 [0,2,0,0,0,0|1,0,1]=4 2197 B10R1.172 C1=CC(=CC(=C1)C#N)CBr B152141 [0,2,0,0,0,0|2,0,0]=4 2198 B10R1.172 C1=CC(=CC(=C1)C#N)CCl C153841 [0,2,0,0,0,0|2,0,0]=4 2199 B10R1.172 C1=CC(=CC(=C1)C#N)CN C178989 [0,2,0,0,0,0|2,0,0]=4 2200 B10R1.172 C1=CC(=CC(=C1)C#N)CO H124030 [0,2,0,0,0,0|1,1,0]=4 2201 B10R1.172 C1=CC(=CC(=C1)C=O)CBr B186757 [0,2,0,0,0,0|2,0,0]=4 2202 B10R1.172 C1=CC(=CC(=C1)CBr)CBr A133958 [0,2,0,0,0,0|2,0,0]=4 2203 B10R1.172 C1=CC(=CC(=C1)CBr)CO B186756 [0,2,0,0,0,0|1,1,0]=4 2204 B10R1.172 C1=CC(=CC(=C1)CCl)CCl D106501 [0,2,0,0,0,0|2,0,0]=4 2205 B10R1.172 C1=CC(=CC(=C1)CN)CN X107227 [0,2,0,0,0,0|2,0,0]=4 2206 B10R1.172 C1=CC(=CC(=C1)CO)CN A183846 [0,2,0,0,0,0|1,1,0]=4 2207 B10R1.172 C1=CC(=CC(=C1)CO)CO B153087 [0,2,0,0,0,0|1,1,0]=4 2208 B10R1.172 C1=CC(=CC(=C1)CS)CS B101800 [0,2,0,0,0,0|1,0,0]=3 2209 B10R1.172 C1=CC(=NC(=C1)C#N)C#N P138611 [0,2,0,0,0,0|1,0,1]=4 2210 B10R1.172 C1=CC(=NC(=C1)C=O)C=O P123453 [0,2,0,0,0,0|0,1,1]=4 2211 B10R1.172 C1=CC(=NC(=C1)CBr)CBr B151845 [0,2,0,0,0,0|1,0,0]=3 2212 B10R1.172 C1=CC(=NC(=C1)CBr)CO B405145 [0,2,0,0,0,0|0,1,0]=3 2213 B10R1.172 C1=CC(=NC(=C1)CCl)CCl B151850 [0,2,0,0,0,0|1,0,0]=3 2214 B10R1.172 C1=CC(=NC(=C1)CCl)CCl B189159 [0,2,0,0,0,0|1,0,0]=3 2215 B10R1.172 C1=CC(=NC(=C1)CN)CN B281510 [0,2,0,0,0,0|1,0,0]=3 2216 B10R1.172 C1=CC(=NC(=C1)CO)CO P107906 [0,2,0,0,0,0|0,1,0]=3 2217 B10R1.172 C1=CN=C(C=C1C#N)C#N P169323 [0,2,0,0,0,0|1,0,1]=4 2218 B10R1.172 C1=CN=C(C=C1C#N)CO C350351 [0,2,0,0,0,0|0,1,0]=3 2219 B10R1.172 CCC1=CC(=CC=C1)C=O E192849 [0,2,0,0,0,0|2,0,0]=4 2220 B10R1.172 CCC1=CC(=CC=C1)CC D155005 [0,2,0,0,0,0|2,0,0]=4 2221 B10R1.172 CCC1=NC(=CC=C1)CC D195927 [0,2,0,0,0,0|1,0,0]=3 2222 B10R1.172 CCC1=NC=CC(=C1)C#N E191103 [0,2,0,0,0,0|1,0,0]=3 2223 B10R1.172 CNC1=NC(=CC=C1)OC M157814 [0,2,0,0,0,0|2,0,0]=4 2224 B10R1.172 COC1=CC(=NC=C1)C#N M184013 [0,2,0,0,0,0|1,0,1]=4 2225 B10R1.172 COC1=CC(=NC=C1)CN M191852 [0,2,0,0,0,0|1,0,0]=3 2226 B10R1.172 COC1=CC(=NC=C1)CO M167781 [0,2,0,0,0,0|0,1,0]=3 2227 B10R1.172 COC1=CC(=NC=C1)OC D182331 [0,2,0,0,0,0|2,0,0]=4 2228 B10R1.172 COC1=CC=CC(=C1)CBr M299353 [0,2,0,0,0,0|2,0,0]=4 2229 B10R1.172 COC1=CC=CC(=C1)CCl M123139 [0,2,0,0,0,0|2,0,0]=4 2230 B10R1.172 COC1=CC=CC(=C1)CN M113479 [0,2,0,0,0,0|2,0,0]=4 2231 B10R1.172 COC1=CC=CC(=C1)CO M123137 [0,2,0,0,0,0|1,1,0]=4 2232 B10R1.172 COC1=CC=CC(=N1)C#N M195226 [0,2,0,0,0,0|1,0,1]=4 2233 B10R1.172 COC1=CC=CC(=N1)C=O M115767 [0,2,0,0,0,0|0,1,1]=4 2234 B10R1.172 COC1=CC=CC(=N1)CBr B191147 [0,2,0,0,0,0|1,0,0]=3 2235 B10R1.172 COC1=CC=CC(=N1)CO M194298 [0,2,0,0,0,0|0,1,0]=3 2236 B10R1.172 COC1=NC(=CC=C1)OC D120569 [0,2,0,0,0,0|2,0,0]=4 2237 B10R1.172 COC1=NC=CC(=C1)C=O M177294 [0,2,0,0,0,0|2,0,0]=4 2238 B10R1.172 COC1=NC=CC(=C1)CO M166644 [0,2,0,0,0,0|2,0,0]=4 2239 B10R1.15 C#CC(C1=CC=CC=C1)O P107039 [0,2,0,0,0,0|1,1,0]=4 2240 B10R1.15 C1=CC=C(C=C1)C(=O)CBr B103328 [0,2,0,0,0,0|2,0,0]=4 2241 B10R1.15 C1=CC=C(C=C1)C(=O)CBr B131582 [0,2,0,0,0,0|2,0,0]=4 2242 B10R1.15 C1=CC=C(C=C1)C(=O)CCl C475739 [0,2,0,0,0,0|2,0,0]=4 2243 B10R1.15 C1=CC=C(C=C1)C(=O)CN A123237 [0,2,0,0,0,0|2,0,0]=4 2244 B10R1.15 C1=CC=C(C=C1)C(=O)CO H102370 [0,2,0,0,0,0|1,1,0]=4 2245 B10R1.15 C1=CC=C(C=C1)C(C#N)N P170863 [0,2,0,0,0,0|2,0,0]=4 2246 B10R1.15 C1=CC=C(C=C1)C(CBr)Br D304999 [0,2,0,0,0,0|2,0,0]=4 2247 B10R1.15 C1=CC=C(C=C1)C(CBr)O B192257 [0,2,0,0,0,0|1,1,0]=4 2248 B10R1.15 C1=CC=C(C=C1)C(CCl)O R304018 [0,2,0,0,0,0|1,1,0]=4 2249 B10R1.15 C1=CC=C(C=C1)C(CCl)O S304439 [0,2,0,0,0,0|1,1,0]=4 2250 B10R1.15 C1=CC=C(C=C1)C(CN)O A102440 [0,2,0,0,0,0|1,1,0]=4 2251 B10R1.15 C1=CC=C(C=C1)C(CN)O A151123 [0,2,0,0,0,0|1,1,0]=4 2252 B10R1.15 C1=CC=C(C=C1)C(CN)O R138565 [0,2,0,0,0,0|1,1,0]=4 2253 B10R1.15 C1=CC=C(C=C1)C(CO)N P109343 [0,2,0,0,0,0|1,1,0]=4 2254 B10R1.15 C1=CC=C(C=C1)C(CO)N P117139 [0,2,0,0,0,0|1,1,0]=4 2255 B10R1.15 C1=CC=C(C=C1)C(CO)N P160161 [0,2,0,0,0,0|1,1,0]=4 2256 B10R1.15 C1=CC=C(C=C1)C(CO)O P100518 [0,2,0,0,0,0|1,1,0]=4 2257 B10R1.15 C1=CC=C(C=C1)C(CO)O P100519 [0,2,0,0,0,0|1,1,0]=4 2258 B10R1.15 C1=CC=C(C=C1)C(CO)O P112689 [0,2,0,0,0,0|1,1,0]=4 2259 B10R1.15 C1=CC=NC(=C1)C(=NO)N P167968 [0,2,0,0,0,0|0,1,1]=4 2260 B10R1.15 C1=CC=NC(=C1)C(=O)CBr B182147 [0,2,0,0,0,0|1,0,0]=3 2261 B10R1.15 C1=CC=NC(=C1)C(=O)NN P123196 [0,2,0,0,0,0|0,1,1]=4 2262 B10R1.15 C1=CN=C(N=C1)C(=O)CBr B174576 [0,2,0,0,0,0|2,0,0]=4 2263 B10R1.15 C=CC(C1=CC=CC=C1)Cl V303368 [0,2,0,0,0,0|2,0,0]=4 2264 B10R1.15 C=CC(C1=CC=CC=C1)O V189138 [0,2,0,0,0,0|1,1,0]=4 2265 B10R1.15 CC(C#N)C1=CC=CC=C1 M468313 [0,2,0,0,0,0|2,0,0]=4 2266 B10R1.15 CC(C1=CC=CC=C1)NC I168221 [0,2,0,0,0,0|2,0,0]=4 2267 B10R1.15 CC(C1=CC=CC=C1)NC I171118 [0,2,0,0,0,0|2,0,0]=4 2268 B10R1.15 CC(C1=CC=CC=C1)NC I286935 [0,2,0,0,0,0|2,0,0]=4 2269 B10R1.15 CC(C1=CC=CC=C1)[N+]#[C-] B300007 [0,2,0,0,0,0|2,0,0]=4 2270 B10R1.15 CC(C=O)C1=CC=CC=C1 P160754 [0,2,0,0,0,0|1,1,0]=4 2271 B10R1.15 CC(CN)C1=CC=CC=C1 P191947 [0,2,0,0,0,0|2,0,0]=4 2272 B10R1.15 CC(CN)C1=CC=CC=C1 R160849 [0,2,0,0,0,0|2,0,0]=4 2273 B10R1.15 CC(CO)C1=CC=CC=C1 P160710 [0,2,0,0,0,0|1,1,0]=4 2274 B10R1.15 CC(CO)C1=CC=CC=C1 R489486 [0,2,0,0,0,0|1,1,0]=4 2275 B10R1.15 CCC(=C)C1=CC=CC=C1 B302726 [0,2,0,0,0,0|2,0,0]=4 2276 B10R1.15 CCC(C)C1=CC=CC=C1 B100253 [0,2,0,0,0,0|2,0,0]=4 2277 B10R1.15 CCC(C)C1=CC=CC=C1 B100254 [0,2,0,0,0,0|2,0,0]=4 2278 B10R1.15 CCC(C)C1=CC=CC=C1 B128164 [0,2,0,0,0,0|2,0,0]=4 2279 B10R1.15 CCC(C1=CC=CC=C1)N E334013 [0,2,0,0,0,0|2,0,0]=4 2280 B10R1.15 CCC(C1=CC=CC=C1)N R138647 [0,2,0,0,0,0|2,0,0]=4 2281 B10R1.15 CCC(C1=CC=CC=C1)N R639496 [0,2,0,0,0,0|2,0,0]=4 2282 B10R1.15 CCC(C1=CC=CC=C1)N S135110 [0,2,0,0,0,0|2,0,0]=4 2283 B10R1.15 CCC(C1=CC=CC=C1)O P107008 [0,2,0,0,0,0|1,1,0]=4 2284 B10R1.15 CCC(C1=CC=CC=C1)O R138307 [0,2,0,0,0,0|1,1,0]=4 2285 B10R1.15 CCC(C1=CC=CC=C1)O S161360 [0,2,0,0,0,0|1,1,0]=4 2286 B10R1.15 CCC(C1=CC=CC=N1)N P586083 [0,2,0,0,0,0|1,0,0]=3 2287 B10R1.15 CCN(C)C1=CC=CC=C1 N589658 [0,2,0,0,0,0|2,0,0]=4 2288 B10R1.15 COC(=N)C1=CC=CC=N1 M157825 [0,2,0,0,0,0|0,1,1]=4 2289 B10R1.15 COC(=O)C1=CC=CC=N1 M157799 [0,2,0,0,0,0|0,1,1]=4 2290 B10R1.15 C[C@H](CO)C1=CC=CC=C1 S489449 [0,2,0,0,0,0|1,1,0]=4 2291 B10R1.28 C1=CC=C(C=C1)C(Cl)(Cl)Cl T111457 [0,2,0,0,0,0|2,0,0]=4 2292 B10R1.28 C1=CC=C(C=C1)C(F)(F)F T106030 [0,2,0,0,0,0|2,0,0]=4 2293 B10R1.28 C1=CC=C(C=C1)C(F)(F)F T119684 [0,2,0,0,0,0|2,0,0]=4 2294 B10R1.28 C1=CC=C(C=C1)C(F)(F)F T128624 [0,2,0,0,0,0|2,0,0]=4 2295 B10R1.28 C1=CC=NC(=C1)C(F)(F)F T122680 [0,2,0,0,0,0|1,0,0]=3 2296 B10R1.28 C1=CC=NC(=C1)S(=O)(=O)F P160051 [0,2,0,0,0,0|1,1,0]=4 2297 B10R1.28 C1=CC=NC(=C1)S(=O)(=O)O P136099 [0,2,0,0,0,0|1,1,0]=4 2298 B10R1.28 CC(C)(C)C1=CC=CC=C1 B103381 [0,2,0,0,0,0|2,0,0]=4 2299 B10R1.28 CC(C)(C)C1=CC=CC=C1 B103382 [0,2,0,0,0,0|2,0,0]=4 2300 B10R1.28 CC(C)(C)C1=CC=CC=C1 B103383 [0,2,0,0,0,0|2,0,0]=4 2301 B10R1.28 CC(C)(C)C1=CC=CC=C1 B103384 [0,2,0,0,0,0|2,0,0]=4 2302 B10R1.28 CC(C)(C)C1=CC=CC=C1 B128162 [0,2,0,0,0,0|2,0,0]=4 2303 B10R1.28 CC(C)(C1=CC=CC=C1)N C154098 [0,2,0,0,0,0|2,0,0]=4 2304 B10R1.28 CC(C)(C1=CC=CC=C1)O P107040 [0,2,0,0,0,0|1,1,0]=4 2305 B10R1.28 CC(C)([CH2-])C1=CC=CC=C1 M465867 [0,2,0,0,0,0|2,0,0]=4 2306 B10R1.28 C[Si](C)(C)C1=CC=CC=N1 T114545 [0,2,0,0,0,0|1,1,0]=4 2307 B10R1.61 C1=CC(=C(N=C1)C(=O)N)O H156936 [0,2,0,0,0,0|0,1,1]=4 2308 B10R1.61 C1=CC(=C(N=C1)C(=O)O)Br B176068 [0,2,0,0,0,0|0,1,1]=4 2309 B10R1.61 C1=CC(=C(N=C1)C(=O)O)Cl C139011 [0,2,0,0,0,0|0,1,1]=4 2310 B10R1.61 C1=CC(=C(N=C1)C(=O)O)F F132148 [0,2,0,0,0,0|0,1,1]=4 2311 B10R1.61 C1=CC(=C(N=C1)C(=O)O)N A174297 [0,2,0,0,0,0|0,1,1]=4 2312 B10R1.61 C1=CC(=C(N=C1)C(=O)O)O H137085 [0,2,0,0,0,0|0,1,1]=4 2313 B10R1.61 C1=CC(=C(N=C1)C(=O)O)O H426608 [0,2,0,0,0,0|0,1,1]=4 2314 B10R1.61 C1=CC(=C(N=C1)C(=O)O)O V275230 [0,2,0,0,0,0|0,1,1]=4 2315 B10R1.61 C1=CC(=C(N=C1)C(F)F)Br B166525 [0,2,0,0,0,0|1,0,0]=3 2316 B10R1.61 C1=CC(=C(N=C1)[N+](=O)[O-])Br B120791 [0,2,0,0,0,0|1,1,0]=4 2317 B10R1.61 C1=CC(=C(N=C1)[N+](=O)[O-])Cl C135970 [0,2,0,0,0,0|1,1,0]=4 2318 B10R1.61 C1=CC(=C(N=C1)[N+](=O)[O-])F F121070 [0,2,0,0,0,0|1,1,0]=4 2319 B10R1.61 C1=CC(=C(N=C1)[N+](=O)[O-])N A138155 [0,2,0,0,0,0|1,1,0]=4 2320 B10R1.61 C1=CC(=C(N=C1)[N+](=O)[O-])O H119963 [0,2,0,0,0,0|1,1,0]=4 2321 B10R1.61 C1=CC=C(C(=C1)C(F)F)Br B186886 [0,2,0,0,0,0|2,0,0]=4 2322 B10R1.61 CC(=O)C1=C(C=CC=N1)Cl C173299 [0,2,0,0,0,0|0,1,1]=4 2323 B10R1.61 CC(C)C1=CC=CC=C1Br B304453 [0,2,0,0,0,0|2,0,0]=4 2324 B10R1.61 CC(C)C1=CC=CC=C1I I189064 [0,2,0,0,0,0|2,0,0]=4 2325 B10R1.61 CC(C)C1=CC=CC=C1N I106819 [0,2,0,0,0,0|2,0,0]=4 2326 B10R1.61 CC(C)C1=CC=CC=C1O I157538 [0,2,0,0,0,0|2,0,0]=4 2327 B10R1.61 CC(C)C1=NC=NC=C1Br B188594 [0,2,0,0,0,0|2,0,0]=4 2328 B10R1.61 CC(C1=CC=CC=C1Br)N I167195 [0,2,0,0,0,0|2,0,0]=4 2329 B10R1.61 CC(C1=CC=CC=C1Br)O B102256 [0,2,0,0,0,0|1,1,0]=4 2330 B10R1.61 CC(C1=CC=CC=C1Br)O B170894 [0,2,0,0,0,0|1,1,0]=4 2331 B10R1.61 CC(C1=CC=CC=C1Br)O B301118 [0,2,0,0,0,0|1,1,0]=4 2332 B10R1.61 CC(C1=CC=CC=C1Cl)N C193213 [0,2,0,0,0,0|2,0,0]=4 2333 B10R1.61 CC(C1=CC=CC=C1Cl)O C153308 [0,2,0,0,0,0|1,1,0]=4 2334 B10R1.61 CC(C1=CC=CC=C1Cl)O R132216 [0,2,0,0,0,0|1,1,0]=4 2335 B10R1.61 CC(C1=CC=CC=C1Cl)O S132117 [0,2,0,0,0,0|1,1,0]=4 2336 B10R1.61 CC(C1=CC=CC=C1F)Br B589033 [0,2,0,0,0,0|2,0,0]=4 2337 B10R1.61 CC(C1=CC=CC=C1F)N R182303 [0,2,0,0,0,0|2,0,0]=4 2338 B10R1.61 CC(C1=CC=CC=C1F)O F589149 [0,2,0,0,0,0|1,1,0]=4 2339 B10R1.61 CC(C1=CC=CC=C1F)O S191492 [0,2,0,0,0,0|1,1,0]=4 2340 B10R1.61 CC(C1=CC=CC=C1N)O A405641 [0,2,0,0,0,0|1,1,0]=4 2341 B10R1.61 CC1=C(N=CC=C1)C(=O)C E491191 [0,2,0,0,0,0|0,1,1]=4 2342 B10R1.61 CC1=C(N=CC=C1)C(=O)O M140254 [0,2,0,0,0,0|0,1,1]=4 2343 B10R1.61 CC1=CC=CC=C1C(C)C O159927 [0,2,0,0,0,0|2,0,0]=4 2344 B10R1.61 CC1=CC=CC=C1C(C)C O301082 [0,2,0,0,0,0|2,0,0]=4 2345 B10R1.4 C1=CC=C(C(=C1)CC#N)Br B468900 [0,2,0,0,0,0|2,0,0]=4 2346 B10R1.4 C1=CC=C(C(=C1)CC#N)Cl C140252 [0,2,0,0,0,0|2,0,0]=4 2347 B10R1.4 C1=CC=C(C(=C1)CC#N)F F133645 [0,2,0,0,0,0|2,0,0]=4 2348 B10R1.4 C1=CC=C(C(=C1)CC#N)I I170176 [0,2,0,0,0,0|2,0,0]=4 2349 B10R1.4 C1=CC=C(C(=C1)CC#N)N A133628 [0,2,0,0,0,0|2,0,0]=4 2350 B10R1.4 C1=CC=C(C(=C1)CCBr)Cl C167804 [0,2,0,0,0,0|2,0,0]=4 2351 B10R1.4 C1=CC=C(C(=C1)CCBr)F F469846 [0,2,0,0,0,0|2,0,0]=4 2352 B10R1.4 C1=CC=C(C(=C1)CCN)Br B122727 [0,2,0,0,0,0|2,0,0]=4 2353 B10R1.4 C1=CC=C(C(=C1)CCN)Cl C153971 [0,2,0,0,0,0|2,0,0]=4 2354 B10R1.4 C1=CC=C(C(=C1)CCN)F F292844 [0,2,0,0,0,0|2,0,0]=4 2355 B10R1.4 C1=CC=C(C(=C1)CCN)F W135956 [0,2,0,0,0,0|2,0,0]=4 2356 B10R1.4 C1=CC=C(C(=C1)CCN)N A189849 [0,2,0,0,0,0|2,0,0]=4 2357 B10R1.4 C1=CC=C(C(=C1)CCN)O A191948 [0,2,0,0,0,0|2,0,0]=4 2358 B10R1.4 C1=CC=C(C(=C1)CCO)Br B102011 [0,2,0,0,0,0|1,1,0]=4 2359 B10R1.4 C1=CC=C(C(=C1)CCO)Cl C135333 [0,2,0,0,0,0|1,1,0]=4 2360 B10R1.4 C1=CC=C(C(=C1)CCO)F F134481 [0,2,0,0,0,0|1,1,0]=4 2361 B10R1.4 C1=CC=C(C(=C1)CCO)N A151124 [0,2,0,0,0,0|1,1,0]=4 2362 B10R1.4 C1=CC=C(C(=C1)CCO)O H139263 [0,2,0,0,0,0|1,1,0]=4 2363 B10R1.4 C1=CC=C(C(=C1)CON)F O192052 [0,2,0,0,0,0|1,1,0]=4 2364 B10R1.4 C=CCC1=CC=CC=C1Br A467291 [0,2,0,0,0,0|2,0,0]=4 2365 B10R1.4 C=CCC1=CC=CC=C1N A151777 [0,2,0,0,0,0|2,0,0]=4 2366 B10R1.4 C=CCC1=CC=CC=C1O A151090 [0,2,0,0,0,0|2,0,0]=4 2367 B10R1.4 CC1=CC=CC=C1CC#N O160033 [0,2,0,0,0,0|2,0,0]=4 2368 B10R1.4 CC1=CC=CC=C1CC=C A167621 [0,2,0,0,0,0|2,0,0]=4 2369 B10R1.4 CC1=CC=CC=C1CCBr B587606 [0,2,0,0,0,0|2,0,0]=4 2370 B10R1.4 CC1=CC=CC=C1CCO O159910 [0,2,0,0,0,0|1,1,0]=4 2371 B10R1.4 CC1=CC=CC=C1CNC B301431 [0,2,0,0,0,0|2,0,0]=4 2372 B10R1.4 CCCC1=CC=CC=C1C P160377 [0,2,0,0,0,0|2,0,0]=4 2373 B10R1.4 CCCC1=CC=CC=C1N P160189 [0,2,0,0,0,0|2,0,0]=4 2374 B10R1.4 CCCC1=CC=CC=C1O P160564 [0,2,0,0,0,0|2,0,0]=4 2375 B10R1.4 CCNC1=CC=CC=C1C N158979 [0,2,0,0,0,0|2,0,0]=4 2376 B10R1.4 CCOC1=C(C=CC=N1)Br B139026 [0,2,0,0,0,0|1,0,0]=3 2377 B10R1.4 CCOC1=C(C=CC=N1)Cl C154075 [0,2,0,0,0,0|1,0,0]=3 2378 B10R1.4 CCOC1=C(C=CC=N1)I E134848 [0,2,0,0,0,0|1,0,0]=3 2379 B10R1.4 CCOC1=CC=CC=C1Cl C405475 [0,2,0,0,0,0|2,0,0]=4 2380 B10R1.4 CCOC1=CC=CC=C1N E100407 [0,2,0,0,0,0|2,0,0]=4 2381 B10R1.4 CCOC1=CC=CC=C1O E156224 [0,2,0,0,0,0|2,0,0]=4 2382 B10R1.4 CCOC1=NC=CN=C1C E156373 [0,2,0,0,0,0|2,0,0]=4 2383 B10R1.4 CNCC1=CC=CC=C1Br B194652 [0,2,0,0,0,0|2,0,0]=4 2384 B10R1.4 CNCC1=CC=CC=C1Cl C469889 [0,2,0,0,0,0|2,0,0]=4 2385 B10R1.4 CNCC1=CC=CC=C1O H156922 [0,2,0,0,0,0|2,0,0]=4 2386 B10R1.17 C#CCCC1=CC=CC=C1 P160653 [0,2,0,0,0,0|2,0,0]=4 2387 B10R1.17 C#CCOC1=CC=CC=C1 P113824 [0,2,0,0,0,0|2,0,0]=4 2388 B10R1.17 C#CCSC1=CC=CC=C1 P101830 [0,2,0,0,0,0|2,0,0]=4 2389 B10R1.17 C1=CC=C(C=C1)C#CCCl C101885 [0,2,0,0,0,0|2,0,0]=4 2390 B10R1.17 C1=CC=C(C=C1)C#CCN P353326 [0,2,0,0,0,0|2,0,0]=4 2391 B10R1.17 C1=CC=C(C=C1)C#CCO P111395 [0,2,0,0,0,0|1,1,0]=4 2392 B10R1.17 C1=CC=C(C=C1)C=CCBr B163067 [0,2,0,0,0,0|2,0,0]=4 2393 B10R1.17 C1=CC=C(C=C1)C=CCCl C102165 [0,2,0,0,0,0|2,0,0]=4 2394 B10R1.17 C1=CC=C(C=C1)C=CCO C110605 [0,2,0,0,0,0|1,1,0]=4 2395 B10R1.17 C1=CC=C(C=C1)C=CCO C110606 [0,2,0,0,0,0|1,1,0]=4 2396 B10R1.17 C1=CC=C(C=C1)C=CCO E303728 [0,2,0,0,0,0|1,1,0]=4 2397 B10R1.17 C1=CC=C(C=C1)CCC#N P160077 [0,2,0,0,0,0|2,0,0]=4 2398 B10R1.17 C1=CC=C(C=C1)CCC=O P109695 [0,2,0,0,0,0|1,1,0]=4 2399 B10R1.17 C1=CC=C(C=C1)CCCBr B106986 [0,2,0,0,0,0|2,0,0]=4 2400 B10R1.17 C1=CC=C(C=C1)CCCCl C122445 [0,2,0,0,0,0|2,0,0]=4 2401 B10R1.17 C1=CC=C(C=C1)CCCI I469194 [0,2,0,0,0,0|2,0,0]=4 2402 B10R1.17 C1=CC=C(C=C1)CCCN P109694 [0,2,0,0,0,0|2,0,0]=4 2403 B10R1.17 C1=CC=C(C=C1)CCCN P292870 [0,2,0,0,0,0|2,0,0]=4 2404 B10R1.17 C1=CC=C(C=C1)CCCO P103663 [0,2,0,0,0,0|1,1,0]=4 2405 B10R1.17 C1=CC=C(C=C1)CCNN P132003 [0,2,0,0,0,0|2,0,0]=4 2406 B10R1.17 C1=CC=C(C=C1)CCNN P421872 [0,2,0,0,0,0|2,0,0]=4 2407 B10R1.17 C1=CC=C(C=C1)CN=C=O B133636 [0,2,0,0,0,0|1,1,0]=4 2408 B10R1.17 C1=CC=C(C=C1)CN=C=S B140288 [0,2,0,0,0,0|1,0,1]=4 2409 B10R1.17 C1=CC=C(C=C1)CN=C=S B425154 [0,2,0,0,0,0|1,0,1]=4 2410 B10R1.17 C1=CC=C(C=C1)CN=[N+]=[N-] B189174 [0,2,0,0,0,0|2,0,0]=4 2411 B10R1.17 C1=CC=C(C=C1)CNC=O N159287 [0,2,0,0,0,0|1,1,0]=4 2412 B10R1.17 C1=CC=C(C=C1)COC=O B152855 [0,2,0,0,0,0|1,1,0]=4 2413 B10R1.17 C1=CC=C(C=C1)COCCl B107578 [0,2,0,0,0,0|1,1,0]=4 2414 B10R1.17 C1=CC=C(C=C1)CSC#N B152183 [0,2,0,0,0,0|1,0,0]=3 2415 B10R1.17 C1=CC=C(C=C1)NCC#N P192616 [0,2,0,0,0,0|2,0,0]=4 2416 B10R1.17 C1=CC=C(C=C1)NCCN N159346 [0,2,0,0,0,0|2,0,0]=4 2417 B10R1.17 C1=CC=C(C=C1)NCCO N140440 [0,2,0,0,0,0|1,1,0]=4 2418 B10R1.17 C1=CC=C(C=C1)OCC#N P160111 [0,2,0,0,0,0|2,0,0]=4 2419 B10R1.17 C1=CC=C(C=C1)OCCBr B100876 [0,2,0,0,0,0|2,0,0]=4 2420 B10R1.17 C1=CC=C(C=C1)OCCCl B135225 [0,2,0,0,0,0|2,0,0]=4 2421 B10R1.17 C1=CC=C(C=C1)OCCN P132517 [0,2,0,0,0,0|2,0,0]=4 2422 B10R1.17 C1=CC=C(C=C1)OCCO E109367 [0,2,0,0,0,0|1,1,0]=4 2423 B10R1.17 C1=CC=C(C=C1)OCCO E109368 [0,2,0,0,0,0|1,1,0]=4 2424 B10R1.17 C1=CC=C(C=C1)OCCO E109369 [0,2,0,0,0,0|1,1,0]=4 2425 B10R1.17 C1=CC=C(C=C1)OCCO E109370 [0,2,0,0,0,0|1,1,0]=4 2426 B10R1.17 C1=CC=C(C=C1)OCCO P407596 [0,2,0,0,0,0|1,1,0]=4 2427 B10R1.17 C1=CC=C(C=C1)SCC#N P160109 [0,2,0,0,0,0|2,0,0]=4 2428 B10R1.17 C1=CC=C(C=C1)SCCBr B152504 [0,2,0,0,0,0|2,0,0]=4 2429 B10R1.17 C1=CC=C(C=C1)SCCCl C101832 [0,2,0,0,0,0|2,0,0]=4 2430 B10R1.17 C1=CC=C(C=C1)SCCO P101545 [0,2,0,0,0,0|1,1,0]=4 2431 B10R1.17 C1=CC=NC(=C1)CCCO P133143 [0,2,0,0,0,0|0,1,0]=3 2432 B10R1.17 C=CCCC1=CC=CC=C1 P160313 [0,2,0,0,0,0|2,0,0]=4 2433 B10R1.17 C=CCNC1=CC=CC=C1 N159240 [0,2,0,0,0,0|2,0,0]=4 2434 B10R1.17 C=CCOC1=CC=CC=C1 A101096 [0,2,0,0,0,0|2,0,0]=4 2435 B10R1.17 C=CCSC1=CC=CC=C1 A140290 [0,2,0,0,0,0|2,0,0]=4 2436 B10R1.17 C=COCC1=CC=CC=C1 B178307 [0,2,0,0,0,0|1,1,0]=4 2437 B10R1.17 CCC#CC1=CC=CC=C1 P107031 [0,2,0,0,0,0|2,0,0]=4 2438 B10R1.17 CCCCC1=CC=CC=C1 B100020 [0,2,0,0,0,0|2,0,0]=4 2439 B10R1.17 CCCCC1=CC=CC=C1 B100021 [0,2,0,0,0,0|2,0,0]=4 2440 B10R1.17 CCCCC1=CC=CC=C1 B128171 [0,2,0,0,0,0|2,0,0]=4 2441 B10R1.17 CCCOC1=CC=CC=C1 P405762 [0,2,0,0,0,0|2,0,0]=4 2442 B10R1.17 CCNCC1=CC=CC=C1 E113368 [0,2,0,0,0,0|2,0,0]=4 2443 B10R1.17 CCNCC1=CC=CC=N1 N170728 [0,2,0,0,0,0|1,0,0]=3 2444 B10R1.17 CCNCC1=CC=CC=N1 N598953 [0,2,0,0,0,0|1,0,0]=3 2445 B10R1.17 CCOCC1=CC=CC=C1 E193820 [0,2,0,0,0,0|1,1,0]=4 2446 B10R1.17 CNCCC1=CC=CC=C1 N159074 [0,2,0,0,0,0|2,0,0]=4 2447 B10R1.17 CNCCC1=CC=CC=N1 B102783 [0,2,0,0,0,0|1,0,0]=3 2448 B10R1.17 CNCCC1=CC=CC=N1 B152161 [0,2,0,0,0,0|1,0,0]=3 2449 B10R1.17 CNCCC1=CC=CC=N1 B301305 [0,2,0,0,0,0|1,0,0]=3 2450 B10R1.17 CNCCC1=CC=CC=N1 B424673 [0,2,0,0,0,0|1,0,0]=3 2451 B10R1.17 CNCCC1=CC=CC=N1 M424771 [0,2,0,0,0,0|1,0,0]=3 2452 B10R1.17 COCCC1=CC=CC=C1 P160567 [0,2,0,0,0,0|1,1,0]=4 2453 B10R1.17 COCCC1=CC=CC=N1 M157981 [0,2,0,0,0,0|0,1,0]=3 2454 B10R1.17 COCSC1=CC=CC=C1 M158419 [0,2,0,0,0,0|1,1,0]=4 2455 B10R1.18 C1=CC=C(C=C1)CC(=N)N P192301 [0,2,0,0,0,0|2,0,0]=4 2456 B10R1.18 C1=CC=C(C=C1)CC(=O)Cl P109202 [0,2,0,0,0,0|1,1,0]=4 2457 B10R1.18 C1=CC=C(C=C1)CC(=O)N P160461 [0,2,0,0,0,0|1,1,0]=4 2458 B10R1.18 C1=CC=C(C=C1)CC(=O)N P420433 [0,2,0,0,0,0|1,1,0]=4 2459 B10R1.18 C1=CC=C(C=C1)CC(=O)O P346939 [0,2,0,0,0,0|1,1,0]=4 2460 B10R1.18 C1=CC=C(C=C1)CC(=S)N P160307 [0,2,0,0,0,0|1,0,1]=4 2461 B10R1.18 C1=CC=C(C=C1)C[N+](=O)[O-] N171226 [0,2,0,0,0,0|1,1,0]=4 2462 B10R1.18 C1=CC=C(C=C1)OC(F)F D404170 [0,2,0,0,0,0|2,0,0]=4 2463 B10R1.18 C1=CC=NC(=C1)CC(=O)O P106866 [0,2,0,0,0,0|0,1,0]=3 2464 B10R1.18 C1=CC=NC(=C1)NC(=S)N N138220 [0,2,0,0,0,0|0,0,2]=4 2465 B10R1.18 CC(=O)NC1=CC=CC=N1 A151788 [0,2,0,0,0,0|0,1,1]=4 2466 B10R1.18 CC(C)CC1=CC=CC=C1 I108918 [0,2,0,0,0,0|2,0,0]=4 2467 B10R1.18 CC(C)CC1=CC=CC=C1 I108919 [0,2,0,0,0,0|2,0,0]=4 2468 B10R1.18 CC(C)CC1=CC=CC=C1 I108920 [0,2,0,0,0,0|2,0,0]=4 2469 B10R1.18 CC(C)NC1=CC=CC=C1 I101922 [0,2,0,0,0,0|2,0,0]=4 2470 B10R1.18 CC(C)NC1=CC=CC=C1 I101923 [0,2,0,0,0,0|2,0,0]=4 2471 B10R1.18 CC(C)OC1=CC=CC=C1 I183364 [0,2,0,0,0,0|2,0,0]=4 2472 B10R1.18 CC(C)OC1=CC=CC=N1 I191256 [0,2,0,0,0,0|1,0,0]=3 2473 B10R1.18 CC(CC1=CC=CC=C1)Br B168545 [0,2,0,0,0,0|2,0,0]=4 2474 B10R1.18 CC(CC1=CC=CC=C1)O P160708 [0,2,0,0,0,0|1,1,0]=4 2475 B10R1.18 CN(C)CC1=CC=CC=C1 D110949 [0,2,0,0,0,0|2,0,0]=4 2476 B10R1.18 CN(C)CC1=CC=CC=C1 D110950 [0,2,0,0,0,0|2,0,0]=4 2477 B10R1.18 CN(C)CC1=CC=CC=[C-]1 D129151 [0,2,0,0,0,0|2,0,0]=4 2478 B10R1.18 CS(=O)CC1=CC=CC=C1 M334699 [0,2,0,0,0,0|1,0,1]=4 2479 B10R1.18 C[Si](C)CC1=CC=CC=C1 B305093 [0,2,0,0,0,0|2,0,0]=4 2480 B10R1.20 C#CC1=CC=CC=C1CO E467035 [0,2,0,0,0,0|1,1,0]=4 2481 B10R1.20 C1=CC(=C(N=C1)C#N)C#N P134323 [0,2,0,0,0,0|1,0,1]=4 2482 B10R1.20 C1=CC=C(C(=C1)CBr)C#N B102364 [0,2,0,0,0,0|2,0,0]=4 2483 B10R1.20 C1=CC=C(C(=C1)CBr)CBr D122697 [0,2,0,0,0,0|2,0,0]=4 2484 B10R1.20 C1=CC=C(C(=C1)CCl)C#N C139078 [0,2,0,0,0,0|2,0,0]=4 2485 B10R1.20 C1=CC=C(C(=C1)CCl)CCl A136426 [0,2,0,0,0,0|2,0,0]=4 2486 B10R1.20 C1=CC=C(C(=C1)CN)C#N A588803 [0,2,0,0,0,0|2,0,0]=4 2487 B10R1.20 C1=CC=C(C(=C1)CN)CN I167888 [0,2,0,0,0,0|2,0,0]=4 2488 B10R1.20 C1=CC=C(C(=C1)CN)CN I168565 [0,2,0,0,0,0|2,0,0]=4 2489 B10R1.20 C1=CC=C(C(=C1)CO)CBr B349692 [0,2,0,0,0,0|1,1,0]=4 2490 B10R1.20 C1=CC=C(C(=C1)CO)CO B152171 [0,2,0,0,0,0|1,1,0]=4 2491 B10R1.20 CCC1=CC=CC=C1C#N E472414 [0,2,0,0,0,0|2,0,0]=4 2492 B10R1.20 CCC1=CC=CC=C1C=C D123847 [0,2,0,0,0,0|2,0,0]=4 2493 B10R1.20 CCC1=CC=CC=C1C=C D123848 [0,2,0,0,0,0|2,0,0]=4 2494 B10R1.20 CCC1=CC=CC=C1C=C D123850 [0,2,0,0,0,0|2,0,0]=4 2495 B10R1.20 CCC1=CC=CC=C1C=C D123852 [0,2,0,0,0,0|2,0,0]=4 2496 B10R1.20 CCC1=CC=CC=C1C=C D123854 [0,2,0,0,0,0|2,0,0]=4 2497 B10R1.20 CCC1=CC=CC=C1C=C D123856 [0,2,0,0,0,0|2,0,0]=4 2498 B10R1.20 CCC1=CC=CC=C1C=C D123857 [0,2,0,0,0,0|2,0,0]=4 2499 B10R1.20 CCC1=CC=CC=C1C=C D492376 [0,2,0,0,0,0|2,0,0]=4 2500 B10R1.20 CCC1=CC=CC=C1C=O E486931 [0,2,0,0,0,0|2,0,0]=4 2501 B10R1.20 CCC1=CC=CC=C1CC D108906 [0,2,0,0,0,0|2,0,0]=4 2502 B10R1.20 CCC1=CC=CC=C1CC D130062 [0,2,0,0,0,0|2,0,0]=4 2503 B10R1.20 CCC1=CC=CC=C1CC D299535 [0,2,0,0,0,0|2,0,0]=4 2504 B10R1.20 CCC1=CC=CC=C1CO E337904 [0,2,0,0,0,0|1,1,0]=4 2505 B10R1.20 CCC1=CC=CC=C1NN E124743 [0,2,0,0,0,0|2,0,0]=4 2506 B10R1.20 CCC1=CC=CC=C1NN E156300 [0,2,0,0,0,0|2,0,0]=4 2507 B10R1.20 CCC1=CC=CC=C1OC E156216 [0,2,0,0,0,0|2,0,0]=4 2508 B10R1.20 CCC1=NC=CN=C1CC D154790 [0,2,0,0,0,0|2,0,0]=4 2509 B10R1.20 CCC1=NC=CN=C1OC E474282 [0,2,0,0,0,0|2,0,0]=4 2510 B10R1.20 CCC1=NC=CN=C1SC E156375 [0,2,0,0,0,0|2,0,0]=4 2511 B10R1.20 CNC1=C(C=CC=N1)CO M183687 [0,2,0,0,0,0|2,0,0]=4 2512 B10R1.20 COC1=C(C=CC=N1)C#N M186266 [0,2,0,0,0,0|2,0,0]=4 2513 B10R1.20 COC1=C(C=CC=N1)CO M172075 [0,2,0,0,0,0|2,0,0]=4 2514 B10R1.20 COC1=C(N=CC=C1)OC D133874 [0,2,0,0,0,0|2,0,0]=4 2515 B10R1.20 COC1=CC=CC=C1CN M113482 [0,2,0,0,0,0|2,0,0]=4 2516 B10R1.20 COC1=CC=CC=C1CO M104885 [0,2,0,0,0,0|1,1,0]=4 2517 B10R1.245 C1=CC(=C(C(=C1)Br)CO)Br D586139 [0,2,0,0,0,0|1,1,0]=4 2518 B10R1.245 C1=CC(=C(C(=C1)Cl)CBr)Cl D138452 [0,2,0,0,0,0|2,0,0]=4 2519 B10R1.245 C1=CC(=C(C(=C1)Cl)CBr)F C122800 [0,2,0,0,0,0|2,0,0]=4 2520 B10R1.245 C1=CC(=C(C(=C1)Cl)CCl)Cl D100629 [0,2,0,0,0,0|2,0,0]=4 2521 B10R1.245 C1=CC(=C(C(=C1)Cl)CCl)Cl D100630 [0,2,0,0,0,0|2,0,0]=4 2522 B10R1.245 C1=CC(=C(C(=C1)Cl)CCl)F C123995 [0,2,0,0,0,0|2,0,0]=4 2523 B10R1.245 C1=CC(=C(C(=C1)Cl)CN)Cl D154483 [0,2,0,0,0,0|2,0,0]=4 2524 B10R1.245 C1=CC(=C(C(=C1)Cl)CN)F C132396 [0,2,0,0,0,0|2,0,0]=4 2525 B10R1.245 C1=CC(=C(C(=C1)Cl)CO)Cl D154149 [0,2,0,0,0,0|1,1,0]=4 2526 B10R1.245 C1=CC(=C(C(=C1)Cl)CO)F C135015 [0,2,0,0,0,0|1,1,0]=4 2527 B10R1.245 C1=CC(=C(C(=C1)Cl)CO)N A193209 [0,2,0,0,0,0|1,1,0]=4 2528 B10R1.245 C1=CC(=C(C(=C1)F)CBr)F D101702 [0,2,0,0,0,0|2,0,0]=4 2529 B10R1.245 C1=CC(=C(C(=C1)F)CCl)F D122814 [0,2,0,0,0,0|2,0,0]=4 2530 B10R1.245 C1=CC(=C(C(=C1)F)CN)F D123484 [0,2,0,0,0,0|2,0,0]=4 2531 B10R1.245 C1=CC(=C(C(=C1)F)CO)F D122813 [0,2,0,0,0,0|1,1,0]=4 2532 B10R1.245 CC1=C(C(=CC=C1)C)CCl D122817 [0,2,0,0,0,0|2,0,0]=4 2533 B10R1.245 CC1=C(C(=CC=C1)C)CO D194249 [0,2,0,0,0,0|1,1,0]=4 2534 B10R2.31 C1CC2=C1C=CC(=C2)Br B132442 [0,1,0,1,0,0|2,0,0]=4 2535 B10R2.6 C1C(N1)C2=CC=CC=C2 P357784 [0,1,0,1,0,0|2,0,0]=4 2536 B10R2.6 C1C(O1)C2=CC=CC=C2 I132554 [0,1,0,1,0,0|1,1,0]=4 2537 B10R2.6 C1C(O1)C2=CC=CC=C2 I133271 [0,1,0,1,0,0|1,1,0]=4 2538 B10R2.6 C1C(O1)C2=CC=CC=C2 I137101 [0,1,0,1,0,0|1,1,0]=4 2539 B10R2.6 C1C(O1)C2=CC=CC=C2 S106990 [0,1,0,1,0,0|1,1,0]=4 2540 B10R2.6 C1C(O1)C2=CC=CC=C2 S165282 [0,1,0,1,0,0|1,1,0]=4 2541 B10R2.6 C1CC1C2=CC=CC=C2 C300934 [0,1,0,1,0,0|2,0,0]=4 2542 B10R2.320 C1C(C2=CC=CC=C21)Br W132718 [0,1,0,1,0,0|2,0,0]=4 2543 B10R2.7 C1=CC2=C(C=CN2)N=C1 H135749 [0,1,0,1,0,0|1,0,1]=4 2544 B10R2.7 C1=CC2=C(C=NN2)N=C1 I169192 [0,1,0,1,0,0|1,0,1]=4 2545 B10R2.7 C1=CC2=C(N=C1)N=CN2 A113516 [0,1,0,1,0,0|1,0,1]=4 2546 B10R2.7 C1=CC2=C(NC=C2)N=C1 A124841 [0,1,0,1,0,0|1,0,1]=4 2547 B10R2.7 C1=CC2=C(NN=C2)N=C1 P123108 [0,1,0,1,0,0|2,0,0]=4 2548 B10R2.7 C1=CC2=NNN=C2N=C1 H157243 [0,1,0,1,0,0|2,0,0]=4 2549 B10R2.7 C1=CC2=NSN=C2C=C1 B120063 [0,1,0,1,0,0|2,0,0]=4 2550 B10R2.7 C1=CC=C2C(=C1)C=CS2 B107023 [0,1,0,1,0,0|1,0,1]=4 2551 B10R2.7 C1=CC=C2C(=C1)N=CS2 B104851 [0,1,0,1,0,0|1,0,1]=4 2552 B10R2.7 C1=CC=C2C(=C1)N=CS2 B104852 [0,1,0,1,0,0|1,0,1]=4 2553 B10R2.7 C1=CC=C2C(=C1)N=CS2 B104854 [0,1,0,1,0,0|1,0,1]=4 2554 B10R2.7 C1=CC=C2C(=C1)N=NS2 B491199 [0,1,0,1,0,0|2,0,0]=4 2555 B10R2.7 C1C2=CC=CC=C2CN1 I102308 [0,1,0,1,0,0|2,0,0]=4 2556 B10R2.7 C1C2=CC=CC=C2CN1 I123491 [0,1,0,1,0,0|2,0,0]=4 2557 B10R2.7 C1C=CC2=CC=CC=C21 I105567 [0,1,0,1,0,0|2,0,0]=4 2558 B10R2.7 C1C=CC2=CC=CC=C21 I105568 [0,1,0,1,0,0|2,0,0]=4 2559 B10R2.7 C1C=CC2=CC=CC=C21 I105569 [0,1,0,1,0,0|2,0,0]=4 2560 B10R2.7 C1CC2=C(C1)N=CC=C2 C101917 [0,1,0,1,0,0|1,0,0]=3 2561 B10R2.7 C1CC2=C(C1)N=CC=C2 C616548 [0,1,0,1,0,0|1,0,0]=3 2562 B10R2.7 C1CC2=CC=CC=C2C1 I105445 [0,1,0,1,0,0|2,0,0]=4 2563 B10R2.7 C1CNC2=C1C=CC=N2 D122895 [0,1,0,1,0,0|1,0,0]=3 2564 B10R2.7 C1CNC2=CC=CC=C21 I103557 [0,1,0,1,0,0|2,0,0]=4 2565 B10R2.7 C1COC2=CC=CC=C21 D170588 [0,1,0,1,0,0|1,1,0]=4 2566 B10R2.7 C1OC2=CC=CC=C2O1 B101357 [0,1,0,1,0,0|1,1,0]=4 2567 B6R1.2 C1=C(N=CS1)Br B122730 [1,0,0,0,1,0|2,0,0]=4 2568 B6R1.2 C1=CN(C=C1)N A151234 [1,0,0,0,1,0|2,0,0]=4 2569 B6R1.2 C1=CN(N=C1)O H177521 [1,0,0,0,1,0|1,1,0]=4 2570 B6R1.2 C1=CN=C(N1)Br B123024 [1,0,0,0,1,0|2,0,0]=4 2571 B6R1.2 C1=CN=C(N1)Cl C153688 [1,0,0,0,1,0|2,0,0]=4 2572 B6R1.2 C1=CN=C(N1)I I169417 [1,0,0,0,1,0|2,0,0]=4 2573 B6R1.2 C1=CN=C(N1)N A129107 [1,0,0,0,1,0|2,0,0]=4 2574 B6R1.2 C1=CN=C(N1)N H186542 [1,0,0,0,1,0|2,0,0]=4 2575 B6R1.2 C1=COC(=C1)Br B152379 [1,0,0,0,1,0|2,0,0]=4 2576 B6R1.2 C1=COC(=N1)Br B586790 [1,0,0,0,1,0|2,0,0]=4 2577 B6R1.2 C1=COC(=N1)N A122648 [1,0,0,0,1,0|2,0,0]=4 2578 B6R1.2 C1=COC=C1Br B123116 [1,0,0,0,1,0|2,0,0]=4 2579 B6R1.2 C1=CON=C1Br B481858 [1,0,0,0,1,0|2,0,0]=4 2580 B6R1.2 C1=CON=C1N A124591 [1,0,0,0,1,0|2,0,0]=4 2581 B6R1.2 C1=CSC(=C1)Br B107006 [1,0,0,0,1,0|2,0,0]=4 2582 B6R1.2 C1=CSC(=C1)Cl C106575 [1,0,0,0,1,0|2,0,0]=4 2583 B6R1.2 C1=CSC(=C1)I I107041 [1,0,0,0,1,0|2,0,0]=4 2584 B6R1.2 C1=CSC(=C1)S T100899 [1,0,0,0,1,0|1,0,0]=3 2585 B6R1.2 C1=CSC(=N1)Br B123649 [1,0,0,0,1,0|2,0,0]=4 2586 B6R1.2 C1=CSC(=N1)Cl C121869 [1,0,0,0,1,0|2,0,0]=4 2587 B6R1.2 C1=CSC(=N1)N A104872 [1,0,0,0,1,0|2,0,0]=4 2588 B6R1.2 C1=CSC(=N1)N A418731 [1,0,0,0,1,0|2,0,0]=4 2589 B6R1.2 C1=CSC(=N1)N A418786 [1,0,0,0,1,0|2,0,0]=4 2590 B6R1.2 C1=CSC=C1Br B103164 [1,0,0,0,1,0|2,0,0]=4 2591 B6R1.2 C1=CSC=C1Cl C101614 [1,0,0,0,1,0|2,0,0]=4 2592 B6R1.2 C1=CSC=C1F F156769 [1,0,0,0,1,0|2,0,0]=4 2593 B6R1.2 C1=CSC=C1I I165643 [1,0,0,0,1,0|2,0,0]=4 2594 B6R1.2 C1=CSC=C1N D303790 [1,0,0,0,1,0|2,0,0]=4 2595 B6R1.2 C1=CSC=C1N T588427 [1,0,0,0,1,0|2,0,0]=4 2596 B6R1.2 CC1=CC=CN1 M185725 [1,0,0,0,1,0|0,0,1]=3 2597 B6R1.2 CC1=CC=CO1 M110932 [1,0,0,0,1,0|1,0,0]=3 2598 B6R1.2 CC1=CC=CS1 M109554 [1,0,0,0,1,0|1,0,0]=3 2599 B6R1.2 CC1=CC=NN1 M108005 [1,0,0,0,1,0|1,0,1]=4 2600 B6R1.2 CC1=CC=NO1 M158646 [1,0,0,0,1,0|2,0,0]=4 2601 B6R1.2 CC1=CN=CN1 M112296 [1,0,0,0,1,0|1,0,1]=4 2602 B6R1.2 CC1=CN=CS1 M124661 [1,0,0,0,1,0|2,0,0]=4 2603 B6R1.2 CC1=CNC=C1 M139090 [1,0,0,0,1,0|1,0,0]=3 2604 B6R1.2 CC1=CNN=C1 M158362 [1,0,0,0,1,0|2,0,0]=4 2605 B6R1.2 CC1=COC=C1 M158541 [1,0,0,0,1,0|1,0,0]=3 2606 B6R1.2 CC1=CSC=C1 M113676 [1,0,0,0,1,0|1,0,0]=3 2607 B6R1.2 CC1=CSC=N1 M103108 [1,0,0,0,1,0|1,0,0]=3 2608 B6R1.2 CC1=NC=CN1 M104839 [1,0,0,0,1,0|1,0,0]=3 2609 B6R1.2 CC1=NC=CS1 M299351 [1,0,0,0,1,0|1,0,0]=3 2610 B6R1.2 CC1=NC=C[N-]1 Z282555 [1,0,0,0,1,0|1,0,0]=3 2611 B6R1.2 CC1=NC=NN1 M177267 [1,0,0,0,1,0|2,0,0]=4 2612 B6R1.2 CN1C=CC=C1 M100701 [1,0,0,0,1,0|1,0,0]=3 2613 B6R1.2 CN1C=CC=N1 M107967 [1,0,0,0,1,0|1,0,0]=3 2614 B6R1.2 CN1C=CN=C1 M109227 [1,0,0,0,1,0|2,0,0]=4 2615 B6R1.2 CN1C=CN=C1 M300816 [1,0,0,0,1,0|2,0,0]=4 2616 B6R1.2 CN1C=CN=C1 M342188 [1,0,0,0,1,0|2,0,0]=4 2617 B6R1.2 CN1C=NC=N1 M139070 [1,0,0,0,1,0|2,0,0]=4