0 B8R1.2 C#CC1=CC=CC=C1 P107030 [0,0,0,0,0,0|3,0,1]=4 1 B8R1.2 C#CC1=CC=CC=C1 P332820 [0,0,0,0,0,0|3,0,1]=4 2 B8R1.2 C#CC1=CC=CC=N1 E106166 [0,0,0,0,0,0|2,0,1]=3 3 B8R1.2 C#CC1=CN=CC=C1 E101379 [0,0,0,0,0,0|2,0,1]=3 4 B8R1.2 C#CC1=CN=CN=C1 E167509 [0,0,0,0,0,0|3,0,1]=4 5 B8R1.2 C#CC1=NC=CC=N1 E170018 [0,0,0,0,0,0|3,0,1]=4 6 B8R1.2 C1=C(C=NC=N1)C#N P176425 [0,0,0,0,0,0|4,0,0]=4 7 B8R1.2 C1=C(C=NC=N1)C=O P123455 [0,0,0,0,0,0|4,0,0]=4 8 B8R1.2 C1=CC(=CN=C1)C#N N104919 [0,0,0,0,0,0|3,0,0]=3 9 B8R1.2 C1=CC(=CN=C1)C=O P106877 [0,0,0,0,0,0|3,0,0]=3 10 B8R1.2 C1=CC(=CN=C1)CBr B137612 [0,0,0,0,0,0|3,0,0]=3 11 B8R1.2 C1=CC(=CN=C1)CCl P135883 [0,0,0,0,0,0|3,0,0]=3 12 B8R1.2 C1=CC(=CN=C1)CN P160053 [0,0,0,0,0,0|3,0,0]=3 13 B8R1.2 C1=CC(=CN=C1)CO P106580 [0,0,0,0,0,0|3,0,0]=3 14 B8R1.2 C1=CC(=NN=C1)C#N P170871 [0,0,0,0,0,0|4,0,0]=4 15 B8R1.2 C1=CC=C(C=C1)C#N B104457 [0,0,0,0,0,0|4,0,0]=4 16 B8R1.2 C1=CC=C(C=C1)C#N B104458 [0,0,0,0,0,0|4,0,0]=4 17 B8R1.2 C1=CC=C(C=C1)C#N B110114 [0,0,0,0,0,0|4,0,0]=4 18 B8R1.2 C1=CC=C(C=C1)C#N B113726 [0,0,0,0,0,0|4,0,0]=4 19 B8R1.2 C1=CC=C(C=C1)C#N B119686 [0,0,0,0,0,0|4,0,0]=4 20 B8R1.2 C1=CC=C(C=C1)C#N B121683 [0,0,0,0,0,0|4,0,0]=4 21 B8R1.2 C1=CC=C(C=C1)C=O B110459 [0,0,0,0,0,0|4,0,0]=4 22 B8R1.2 C1=CC=C(C=C1)C=O B110460 [0,0,0,0,0,0|4,0,0]=4 23 B8R1.2 C1=CC=C(C=C1)C=O B110463 [0,0,0,0,0,0|4,0,0]=4 24 B8R1.2 C1=CC=C(C=C1)C=O B110464 [0,0,0,0,0,0|4,0,0]=4 25 B8R1.2 C1=CC=C(C=C1)C=O B266083 [0,0,0,0,0,0|4,0,0]=4 26 B8R1.2 C1=CC=C(C=C1)C=O B420281 [0,0,0,0,0,0|4,0,0]=4 27 B8R1.2 C1=CC=C(C=C1)C=O B472001 [0,0,0,0,0,0|4,0,0]=4 28 B8R1.2 C1=CC=C(C=C1)CBr B108549 [0,0,0,0,0,0|4,0,0]=4 29 B8R1.2 C1=CC=C(C=C1)CBr B471999 [0,0,0,0,0,0|4,0,0]=4 30 B8R1.2 C1=CC=C(C=C1)CBr B472021 [0,0,0,0,0,0|4,0,0]=4 31 B8R1.2 C1=CC=C(C=C1)CCl B110580 [0,0,0,0,0,0|4,0,0]=4 32 B8R1.2 C1=CC=C(C=C1)CCl B110581 [0,0,0,0,0,0|4,0,0]=4 33 B8R1.2 C1=CC=C(C=C1)CCl B110582 [0,0,0,0,0,0|4,0,0]=4 34 B8R1.2 C1=CC=C(C=C1)CCl B141153 [0,0,0,0,0,0|4,0,0]=4 35 B8R1.2 C1=CC=C(C=C1)CCl B431204 [0,0,0,0,0,0|4,0,0]=4 36 B8R1.2 C1=CC=C(C=C1)CCl B472028 [0,0,0,0,0,0|4,0,0]=4 37 B8R1.2 C1=CC=C(C=C1)CCl B472041 [0,0,0,0,0,0|4,0,0]=4 38 B8R1.2 C1=CC=C(C=C1)CN A348464 [0,0,0,0,0,0|4,0,0]=4 39 B8R1.2 C1=CC=C(C=C1)CN B108477 [0,0,0,0,0,0|4,0,0]=4 40 B8R1.2 C1=CC=C(C=C1)CN B152179 [0,0,0,0,0,0|4,0,0]=4 41 B8R1.2 C1=CC=C(C=C1)CN B152887 [0,0,0,0,0,0|4,0,0]=4 42 B8R1.2 C1=CC=C(C=C1)CN B152949 [0,0,0,0,0,0|4,0,0]=4 43 B8R1.2 C1=CC=C(C=C1)CN B304428 [0,0,0,0,0,0|4,0,0]=4 44 B8R1.2 C1=CC=C(C=C1)CN B485378 [0,0,0,0,0,0|4,0,0]=4 45 B8R1.2 C1=CC=C(C=C1)CN P493007 [0,0,0,0,0,0|4,0,0]=4 46 B8R1.2 C1=CC=C(C=C1)CN P493016 [0,0,0,0,0,0|4,0,0]=4 47 B8R1.2 C1=CC=C(C=C1)CN P493100 [0,0,0,0,0,0|4,0,0]=4 48 B8R1.2 C1=CC=C(C=C1)CO B108199 [0,0,0,0,0,0|4,0,0]=4 49 B8R1.2 C1=CC=C(C=C1)CO B108202 [0,0,0,0,0,0|4,0,0]=4 50 B8R1.2 C1=CC=C(C=C1)CO B108203 [0,0,0,0,0,0|4,0,0]=4 51 B8R1.2 C1=CC=C(C=C1)CO B108204 [0,0,0,0,0,0|4,0,0]=4 52 B8R1.2 C1=CC=C(C=C1)CO B108205 [0,0,0,0,0,0|4,0,0]=4 53 B8R1.2 C1=CC=C(C=C1)CO B163018 [0,0,0,0,0,0|4,0,0]=4 54 B8R1.2 C1=CC=C(C=C1)CO B346959 [0,0,0,0,0,0|4,0,0]=4 55 B8R1.2 C1=CC=C(C=C1)CO B420278 [0,0,0,0,0,0|4,0,0]=4 56 B8R1.2 C1=CC=C(C=C1)CO B472101 [0,0,0,0,0,0|4,0,0]=4 57 B8R1.2 C1=CC=C(C=C1)CS B109256 [0,0,0,0,0,0|4,0,0]=4 58 B8R1.2 C1=CC=C(C=C1)I=O I157626 [0,0,0,0,0,0|4,0,0]=4 59 B8R1.2 C1=CC=C(C=C1)N=O N159156 [0,0,0,0,0,0|4,0,0]=4 60 B8R1.2 C1=CC=C(C=C1)NN P104684 [0,0,0,0,0,0|4,0,0]=4 61 B8R1.2 C1=CC=C(C=C1)NN P108563 [0,0,0,0,0,0|4,0,0]=4 62 B8R1.2 C1=CC=C(C=C1)NN P112739 [0,0,0,0,0,0|4,0,0]=4 63 B8R1.2 C1=CC=C(C=C1)NN P579459 [0,0,0,0,0,0|4,0,0]=4 64 B8R1.2 C1=CC=C(C=C1)NO N131374 [0,0,0,0,0,0|4,0,0]=4 65 B8R1.2 C1=CC=C(C=C1)ON O464484 [0,0,0,0,0,0|3,1,0]=4 66 B8R1.2 C1=CC=C(C=C1)[As]=O P336440 [0,0,0,0,0,0|4,0,0]=4 67 B8R1.2 C1=CC=C(C=C1)[Hg]Cl P598721 [0,0,0,0,0,0|4,0,0]=4 68 B8R1.2 C1=CC=C(C=C1)[Se]Cl P160704 [0,0,0,0,0,0|3,1,0]=4 69 B8R1.2 C1=CC=NC(=C1)C#N P106583 [0,0,0,0,0,0|3,0,0]=3 70 B8R1.2 C1=CC=NC(=C1)C=O P105912 [0,0,0,0,0,0|3,0,0]=3 71 B8R1.2 C1=CC=NC(=C1)CBr B169474 [0,0,0,0,0,0|3,0,0]=3 72 B8R1.2 C1=CC=NC(=C1)CCl C117226 [0,0,0,0,0,0|3,0,0]=3 73 B8R1.2 C1=CC=NC(=C1)CN P107146 [0,0,0,0,0,0|3,0,0]=3 74 B8R1.2 C1=CC=NC(=C1)CO P106578 [0,0,0,0,0,0|3,0,0]=3 75 B8R1.2 C1=CC=NC(=C1)NN H133458 [0,0,0,0,0,0|3,0,0]=3 76 B8R1.2 C1=CN=C(C=N1)C#N P121629 [0,0,0,0,0,0|2,0,0]=2 77 B8R1.2 C1=CN=C(C=N1)C=O P176847 [0,0,0,0,0,0|2,0,0]=2 78 B8R1.2 C1=CN=C(C=N1)CN P175485 [0,0,0,0,0,0|2,0,0]=2 79 B8R1.2 C1=CN=C(C=N1)NN H176751 [0,0,0,0,0,0|2,0,0]=2 80 B8R1.2 C1=CN=C(N=C1)C#N P121628 [0,0,0,0,0,0|4,0,0]=4 81 B8R1.2 C1=CN=C(N=C1)CN P176301 [0,0,0,0,0,0|4,0,0]=4 82 B8R1.2 C1=CN=C(N=C1)CO P176469 [0,0,0,0,0,0|4,0,0]=4 83 B8R1.2 C1=CN=C(N=C1)NN H186413 [0,0,0,0,0,0|4,0,0]=4 84 B8R1.2 C1=CN=CN=C1CO P176166 [0,0,0,0,0,0|4,0,0]=4 85 B8R1.2 C=CC1=CC=CC=C1 A304890 [0,0,0,0,0,0|3,0,1]=4 86 B8R1.2 C=CC1=CC=CC=C1 P107084 [0,0,0,0,0,0|3,0,1]=4 87 B8R1.2 C=CC1=CC=CC=C1 P107085 [0,0,0,0,0,0|3,0,1]=4 88 B8R1.2 C=CC1=CC=CC=C1 P107086 [0,0,0,0,0,0|3,0,1]=4 89 B8R1.2 C=CC1=CC=CC=C1 P107087 [0,0,0,0,0,0|3,0,1]=4 90 B8R1.2 C=CC1=CC=CC=C1 P107088 [0,0,0,0,0,0|3,0,1]=4 91 B8R1.2 C=CC1=CC=CC=C1 P107089 [0,0,0,0,0,0|3,0,1]=4 92 B8R1.2 C=CC1=CC=CC=C1 P107090 [0,0,0,0,0,0|3,0,1]=4 93 B8R1.2 C=CC1=CC=CC=C1 P107091 [0,0,0,0,0,0|3,0,1]=4 94 B8R1.2 C=CC1=CC=CC=C1 P107772 [0,0,0,0,0,0|3,0,1]=4 95 B8R1.2 C=CC1=CC=CC=C1 P107773 [0,0,0,0,0,0|3,0,1]=4 96 B8R1.2 C=CC1=CC=CC=C1 P107774 [0,0,0,0,0,0|3,0,1]=4 97 B8R1.2 C=CC1=CC=CC=C1 P107775 [0,0,0,0,0,0|3,0,1]=4 98 B8R1.2 C=CC1=CC=CC=C1 P107776 [0,0,0,0,0,0|3,0,1]=4 99 B8R1.2 C=CC1=CC=CC=C1 P107777 [0,0,0,0,0,0|3,0,1]=4 100 B8R1.2 C=CC1=CC=CC=C1 P107778 [0,0,0,0,0,0|3,0,1]=4 101 B8R1.2 C=CC1=CC=CC=C1 P107779 [0,0,0,0,0,0|3,0,1]=4 102 B8R1.2 C=CC1=CC=CC=C1 P107780 [0,0,0,0,0,0|3,0,1]=4 103 B8R1.2 C=CC1=CC=CC=C1 P107782 [0,0,0,0,0,0|3,0,1]=4 104 B8R1.2 C=CC1=CC=CC=C1 P107783 [0,0,0,0,0,0|3,0,1]=4 105 B8R1.2 C=CC1=CC=CC=C1 P107784 [0,0,0,0,0,0|3,0,1]=4 106 B8R1.2 C=CC1=CC=CC=C1 P107786 [0,0,0,0,0,0|3,0,1]=4 107 B8R1.2 C=CC1=CC=CC=C1 P107787 [0,0,0,0,0,0|3,0,1]=4 108 B8R1.2 C=CC1=CC=CC=C1 P107789 [0,0,0,0,0,0|3,0,1]=4 109 B8R1.2 C=CC1=CC=CC=C1 P107790 [0,0,0,0,0,0|3,0,1]=4 110 B8R1.2 C=CC1=CC=CC=C1 P107791 [0,0,0,0,0,0|3,0,1]=4 111 B8R1.2 C=CC1=CC=CC=C1 P107792 [0,0,0,0,0,0|3,0,1]=4 112 B8R1.2 C=CC1=CC=CC=C1 P107793 [0,0,0,0,0,0|3,0,1]=4 113 B8R1.2 C=CC1=CC=CC=C1 P107794 [0,0,0,0,0,0|3,0,1]=4 114 B8R1.2 C=CC1=CC=CC=C1 P107795 [0,0,0,0,0,0|3,0,1]=4 115 B8R1.2 C=CC1=CC=CC=C1 P107796 [0,0,0,0,0,0|3,0,1]=4 116 B8R1.2 C=CC1=CC=CC=C1 P107797 [0,0,0,0,0,0|3,0,1]=4 117 B8R1.2 C=CC1=CC=CC=C1 P107798 [0,0,0,0,0,0|3,0,1]=4 118 B8R1.2 C=CC1=CC=CC=C1 P107801 [0,0,0,0,0,0|3,0,1]=4 119 B8R1.2 C=CC1=CC=CC=C1 P107802 [0,0,0,0,0,0|3,0,1]=4 120 B8R1.2 C=CC1=CC=CC=C1 P107803 [0,0,0,0,0,0|3,0,1]=4 121 B8R1.2 C=CC1=CC=CC=C1 P107804 [0,0,0,0,0,0|3,0,1]=4 122 B8R1.2 C=CC1=CC=CC=C1 P107805 [0,0,0,0,0,0|3,0,1]=4 123 B8R1.2 C=CC1=CC=CC=C1 P107806 [0,0,0,0,0,0|3,0,1]=4 124 B8R1.2 C=CC1=CC=CC=C1 P107807 [0,0,0,0,0,0|3,0,1]=4 125 B8R1.2 C=CC1=CC=CC=C1 P107808 [0,0,0,0,0,0|3,0,1]=4 126 B8R1.2 C=CC1=CC=CC=C1 P107809 [0,0,0,0,0,0|3,0,1]=4 127 B8R1.2 C=CC1=CC=CC=C1 P107810 [0,0,0,0,0,0|3,0,1]=4 128 B8R1.2 C=CC1=CC=CC=C1 P107811 [0,0,0,0,0,0|3,0,1]=4 129 B8R1.2 C=CC1=CC=CC=C1 P107812 [0,0,0,0,0,0|3,0,1]=4 130 B8R1.2 C=CC1=CC=CC=C1 P107813 [0,0,0,0,0,0|3,0,1]=4 131 B8R1.2 C=CC1=CC=CC=C1 P107814 [0,0,0,0,0,0|3,0,1]=4 132 B8R1.2 C=CC1=CC=CC=C1 P119494 [0,0,0,0,0,0|3,0,1]=4 133 B8R1.2 C=CC1=CC=CC=C1 P119495 [0,0,0,0,0,0|3,0,1]=4 134 B8R1.2 C=CC1=CC=CC=C1 P119496 [0,0,0,0,0,0|3,0,1]=4 135 B8R1.2 C=CC1=CC=CC=C1 P119498 [0,0,0,0,0,0|3,0,1]=4 136 B8R1.2 C=CC1=CC=CC=C1 P119572 [0,0,0,0,0,0|3,0,1]=4 137 B8R1.2 C=CC1=CC=CC=C1 P304886 [0,0,0,0,0,0|3,0,1]=4 138 B8R1.2 C=CC1=CC=CC=C1 P304889 [0,0,0,0,0,0|3,0,1]=4 139 B8R1.2 C=CC1=CC=CC=C1 P434446 [0,0,0,0,0,0|3,0,1]=4 140 B8R1.2 C=CC1=CC=CC=C1 P434450 [0,0,0,0,0,0|3,0,1]=4 141 B8R1.2 C=CC1=CC=CC=C1 P434455 [0,0,0,0,0,0|3,0,1]=4 142 B8R1.2 C=CC1=CC=CC=C1 P476626 [0,0,0,0,0,0|3,0,1]=4 143 B8R1.2 C=CC1=CC=CC=C1 P490073 [0,0,0,0,0,0|3,0,1]=4 144 B8R1.2 C=CC1=CC=CC=C1 P638578 [0,0,0,0,0,0|3,0,1]=4 145 B8R1.2 C=CC1=CC=CC=C1 S110374 [0,0,0,0,0,0|3,0,1]=4 146 B8R1.2 C=CC1=CC=CC=C1 S110375 [0,0,0,0,0,0|3,0,1]=4 147 B8R1.2 C=CC1=CC=CC=C1 S110376 [0,0,0,0,0,0|3,0,1]=4 148 B8R1.2 C=CC1=CC=CC=C1 S110377 [0,0,0,0,0,0|3,0,1]=4 149 B8R1.2 C=CC1=CC=CC=C1 S110378 [0,0,0,0,0,0|3,0,1]=4 150 B8R1.2 C=CC1=CC=CC=C1 S121282 [0,0,0,0,0,0|3,0,1]=4 151 B8R1.2 C=CC1=CC=CC=N1 V106227 [0,0,0,0,0,0|2,0,1]=3 152 B8R1.2 C=CC1=CN=CC=C1 V138030 [0,0,0,0,0,0|2,0,1]=3 153 B8R1.2 CCC1=CC=CC=C1 E108144 [0,0,0,0,0,0|3,0,0]=3 154 B8R1.2 CCC1=CC=CC=C1 E108145 [0,0,0,0,0,0|3,0,0]=3 155 B8R1.2 CCC1=CC=CC=C1 E108146 [0,0,0,0,0,0|3,0,0]=3 156 B8R1.2 CCC1=CC=CC=C1 E108148 [0,0,0,0,0,0|3,0,0]=3 157 B8R1.2 CCC1=CC=CC=C1 E108149 [0,0,0,0,0,0|3,0,0]=3 158 B8R1.2 CCC1=CC=CC=C1 E117364 [0,0,0,0,0,0|3,0,0]=3 159 B8R1.2 CCC1=CC=CC=N1 E156565 [0,0,0,0,0,0|2,0,0]=2 160 B8R1.2 CCC1=CC=NC=C1 E106225 [0,0,0,0,0,0|4,0,0]=4 161 B8R1.2 CCC1=CN=CC=C1 E156048 [0,0,0,0,0,0|2,0,0]=2 162 B8R1.2 CCC1=NC=CN=C1 E156371 [0,0,0,0,0,0|1,0,0]=1 163 B8R1.2 CC[N+]1=CC=CC=C1 E102660 [0,0,0,0,0,0|4,0,0]=4 164 B8R1.2 CC[N+]1=CC=CC=C1 E102661 [0,0,0,0,0,0|4,0,0]=4 165 B8R1.2 CNC1=CC=CC=C1 M109539 [0,0,0,0,0,0|3,0,0]=3 166 B8R1.2 CNC1=CC=CC=C1 M109540 [0,0,0,0,0,0|3,0,0]=3 167 B8R1.2 CNC1=CC=CC=N1 M158828 [0,0,0,0,0,0|2,0,0]=2 168 B8R1.2 CNC1=CC=NC=C1 M119978 [0,0,0,0,0,0|4,0,0]=4 169 B8R1.2 CNC1=CN=CC=C1 M158833 [0,0,0,0,0,0|2,0,0]=2 170 B8R1.2 CNC1=NC=CC=N1 N339574 [0,0,0,0,0,0|3,0,0]=3 171 B8R1.2 COC1=CC=CC=C1 A103680 [0,0,0,0,0,0|2,1,0]=3 172 B8R1.2 COC1=CC=CC=C1 A103683 [0,0,0,0,0,0|2,1,0]=3 173 B8R1.2 COC1=CC=CC=C1 A103684 [0,0,0,0,0,0|2,1,0]=3 174 B8R1.2 COC1=CC=CC=C1 A105952 [0,0,0,0,0,0|2,1,0]=3 175 B8R1.2 COC1=CC=CC=C1 A472026 [0,0,0,0,0,0|2,1,0]=3 176 B8R1.2 COC1=CC=CC=N1 M120557 [0,0,0,0,0,0|1,1,0]=2 177 B8R1.2 COC1=CC=NC=C1 M120571 [0,0,0,0,0,0|3,1,0]=4 178 B8R1.2 COC1=CN=CC=C1 M134006 [0,0,0,0,0,0|1,1,0]=2 179 B8R1.2 COC1=CN=CN=C1 M303416 [0,0,0,0,0,0|2,1,0]=3 180 B8R1.2 COC1=NC=CN=C1 M136222 [0,0,0,0,0,0|0,1,0]=1 181 B8R1.2 COC1=NC=NC=C1 M158443 [0,0,0,0,0,0|2,1,0]=3 182 B8R1.2 COC1=NN=CC=C1 M157842 [0,0,0,0,0,0|2,1,0]=3 183 B8R1.2 CSC1=CC=CC=C1 T107511 [0,0,0,0,0,0|2,0,0]=2 184 B8R1.2 CSC1=CC=CC=N1 M132299 [0,0,0,0,0,0|1,0,0]=1 185 B8R1.2 CSC1=NC=CC=N1 M186764 [0,0,0,0,0,0|2,0,0]=2 186 B8R1.2 CSC1=NC=CN=C1 M132836 [0,0,0,0,0,0|0,0,0]=0 187 B8R1.2 CSC1=NC=CN=N1 M169273 [0,0,0,0,0,0|1,0,0]=1 188 B8R1.2 C[Si]C1=CC=CC=C1 M338232 [0,0,0,0,0,0|3,0,0]=3 189 B8R1.2 [C-]#CC1=CC=CC=C1 C282525 [0,0,0,0,0,0|3,0,1]=4 190 B8R1.2 [C-]#CC1=CC=CC=C1 P331408 [0,0,0,0,0,0|3,0,1]=4 191 B7R1.3 Brc1ccccc1 B128157 [1,0,0,0,0,0|3,0,0]=4 192 B7R1.3 C1=C(C=NC=N1)Br B107005 [1,0,0,0,0,0|3,0,0]=4 193 B7R1.3 C1=C(C=NC=N1)N A122551 [1,0,0,0,0,0|3,0,0]=4 194 B7R1.3 C1=C(C=NC=N1)O P175938 [1,0,0,0,0,0|2,1,0]=4 195 B7R1.3 C1=CC(=CN=C1)Br B106977 [1,0,0,0,0,0|2,0,0]=3 196 B7R1.3 C1=CC(=CN=C1)Cl C106490 [1,0,0,0,0,0|2,0,0]=3 197 B7R1.3 C1=CC(=CN=C1)F F119663 [1,0,0,0,0,0|2,0,0]=3 198 B7R1.3 C1=CC(=CN=C1)I I101566 [1,0,0,0,0,0|2,0,0]=3 199 B7R1.3 C1=CC(=CN=C1)N A107134 [1,0,0,0,0,0|2,0,0]=3 200 B7R1.3 C1=CC(=CN=C1)N A107135 [1,0,0,0,0,0|2,0,0]=3 201 B7R1.3 C1=CC(=CN=C1)O H106342 [1,0,0,0,0,0|1,1,0]=3 202 B7R1.3 C1=CC(=CN=C1)O H434905 [1,0,0,0,0,0|1,1,0]=3 203 B7R1.3 C1=CC(=NN=C1)Br B590520 [1,0,0,0,0,0|3,0,0]=4 204 B7R1.3 C1=CC(=NN=C1)Cl C177666 [1,0,0,0,0,0|3,0,0]=4 205 B7R1.3 C1=CC(=NN=C1)N A123467 [1,0,0,0,0,0|3,0,0]=4 206 B7R1.3 C1=CC(=O)NC=C1 H108693 [1,0,0,0,0,0|1,1,1]=4 207 B7R1.3 C1=CC(=O)NC=C1 H421556 [1,0,0,0,0,0|1,1,1]=4 208 B7R1.3 C1=CC(=O)NN=C1 P119352 [1,0,0,0,0,0|2,1,0]=4 209 B7R1.3 C1=CC(=O)OC=C1 A136345 [1,0,0,0,0,0|2,1,0]=4 210 B7R1.3 C1=CC(=S)NC=C1 M101871 [1,0,0,0,0,0|1,0,2]=4 211 B7R1.3 C1=CC=C(C=C1)Br B103388 [1,0,0,0,0,0|3,0,0]=4 212 B7R1.3 C1=CC=C(C=C1)Br B103389 [1,0,0,0,0,0|3,0,0]=4 213 B7R1.3 C1=CC=C(C=C1)Br B103390 [1,0,0,0,0,0|3,0,0]=4 214 B7R1.3 C1=CC=C(C=C1)Br B121294 [1,0,0,0,0,0|3,0,0]=4 215 B7R1.3 C1=CC=C(C=C1)Br B473807 [1,0,0,0,0,0|3,0,0]=4 216 B7R1.3 C1=CC=C(C=C1)Cl C105081 [1,0,0,0,0,0|3,0,0]=4 217 B7R1.3 C1=CC=C(C=C1)Cl C105082 [1,0,0,0,0,0|3,0,0]=4 218 B7R1.3 C1=CC=C(C=C1)Cl C105083 [1,0,0,0,0,0|3,0,0]=4 219 B7R1.3 C1=CC=C(C=C1)Cl C105084 [1,0,0,0,0,0|3,0,0]=4 220 B7R1.3 C1=CC=C(C=C1)Cl C119461 [1,0,0,0,0,0|3,0,0]=4 221 B7R1.3 C1=CC=C(C=C1)Cl C342726 [1,0,0,0,0,0|3,0,0]=4 222 B7R1.3 C1=CC=C(C=C1)Cl C431386 [1,0,0,0,0,0|3,0,0]=4 223 B7R1.3 C1=CC=C(C=C1)Cl C639739 [1,0,0,0,0,0|3,0,0]=4 224 B7R1.3 C1=CC=C(C=C1)F F107096 [1,0,0,0,0,0|3,0,0]=4 225 B7R1.3 C1=CC=C(C=C1)F F107098 [1,0,0,0,0,0|3,0,0]=4 226 B7R1.3 C1=CC=C(C=C1)F F107099 [1,0,0,0,0,0|3,0,0]=4 227 B7R1.3 C1=CC=C(C=C1)F F107100 [1,0,0,0,0,0|3,0,0]=4 228 B7R1.3 C1=CC=C(C=C1)F F128178 [1,0,0,0,0,0|3,0,0]=4 229 B7R1.3 C1=CC=C(C=C1)F F128179 [1,0,0,0,0,0|3,0,0]=4 230 B7R1.3 C1=CC=C(C=C1)I I104581 [1,0,0,0,0,0|3,0,0]=4 231 B7R1.3 C1=CC=C(C=C1)I I104582 [1,0,0,0,0,0|3,0,0]=4 232 B7R1.3 C1=CC=C(C=C1)N A108448 [1,0,0,0,0,0|3,0,0]=4 233 B7R1.3 C1=CC=C(C=C1)N A111640 [1,0,0,0,0,0|3,0,0]=4 234 B7R1.3 C1=CC=C(C=C1)N A112119 [1,0,0,0,0,0|3,0,0]=4 235 B7R1.3 C1=CC=C(C=C1)N A112120 [1,0,0,0,0,0|3,0,0]=4 236 B7R1.3 C1=CC=C(C=C1)N A112122 [1,0,0,0,0,0|3,0,0]=4 237 B7R1.3 C1=CC=C(C=C1)N A112123 [1,0,0,0,0,0|3,0,0]=4 238 B7R1.3 C1=CC=C(C=C1)N A112124 [1,0,0,0,0,0|3,0,0]=4 239 B7R1.3 C1=CC=C(C=C1)N A112125 [1,0,0,0,0,0|3,0,0]=4 240 B7R1.3 C1=CC=C(C=C1)N A117353 [1,0,0,0,0,0|3,0,0]=4 241 B7R1.3 C1=CC=C(C=C1)N A117354 [1,0,0,0,0,0|3,0,0]=4 242 B7R1.3 C1=CC=C(C=C1)N A117355 [1,0,0,0,0,0|3,0,0]=4 243 B7R1.3 C1=CC=C(C=C1)N A121681 [1,0,0,0,0,0|3,0,0]=4 244 B7R1.3 C1=CC=C(C=C1)N A133014 [1,0,0,0,0,0|3,0,0]=4 245 B7R1.3 C1=CC=C(C=C1)N A135834 [1,0,0,0,0,0|3,0,0]=4 246 B7R1.3 C1=CC=C(C=C1)N A151130 [1,0,0,0,0,0|3,0,0]=4 247 B7R1.3 C1=CC=C(C=C1)N A151150 [1,0,0,0,0,0|3,0,0]=4 248 B7R1.3 C1=CC=C(C=C1)N A283803 [1,0,0,0,0,0|3,0,0]=4 249 B7R1.3 C1=CC=C(C=C1)N A344406 [1,0,0,0,0,0|3,0,0]=4 250 B7R1.3 C1=CC=C(C=C1)N P492994 [1,0,0,0,0,0|3,0,0]=4 251 B7R1.3 C1=CC=C(C=C1)N P492999 [1,0,0,0,0,0|3,0,0]=4 252 B7R1.3 C1=CC=C(C=C1)O P100761 [1,0,0,0,0,0|2,1,0]=4 253 B7R1.3 C1=CC=C(C=C1)O P100762 [1,0,0,0,0,0|2,1,0]=4 254 B7R1.3 C1=CC=C(C=C1)O P100765 [1,0,0,0,0,0|2,1,0]=4 255 B7R1.3 C1=CC=C(C=C1)O P100767 [1,0,0,0,0,0|2,1,0]=4 256 B7R1.3 C1=CC=C(C=C1)O P100769 [1,0,0,0,0,0|2,1,0]=4 257 B7R1.3 C1=CC=C(C=C1)O P100770 [1,0,0,0,0,0|2,1,0]=4 258 B7R1.3 C1=CC=C(C=C1)O P121281 [1,0,0,0,0,0|2,1,0]=4 259 B7R1.3 C1=CC=C(C=C1)O P128316 [1,0,0,0,0,0|2,1,0]=4 260 B7R1.3 C1=CC=C(C=C1)O P397150 [1,0,0,0,0,0|2,1,0]=4 261 B7R1.3 C1=CC=C(C=C1)O P472012 [1,0,0,0,0,0|2,1,0]=4 262 B7R1.3 C1=CC=C(C=C1)[O-] P171611 [1,0,0,0,0,0|2,1,0]=4 263 B7R1.3 C1=CC=C(C=C1)[O-] S110499 [1,0,0,0,0,0|2,1,0]=4 264 B7R1.3 C1=CC=C(C=C1)[O-] S190796 [1,0,0,0,0,0|2,1,0]=4 265 B7R1.3 C1=CC=C(C=C1)[S-] C355238 [1,0,0,0,0,0|2,0,1]=4 266 B7R1.3 C1=CC=C(C=C1)[S-] S195897 [1,0,0,0,0,0|2,0,1]=4 267 B7R1.3 C1=CC=C(C=C1)[Se] B121193 [1,0,0,0,0,0|2,1,0]=4 268 B7R1.3 C1=CC=C(C=C1)[Si] P160608 [1,0,0,0,0,0|2,1,0]=4 269 B7R1.3 C1=CC=NC(=C1)Br B109679 [1,0,0,0,0,0|2,0,0]=3 270 B7R1.3 C1=CC=NC(=C1)Cl C104870 [1,0,0,0,0,0|2,0,0]=3 271 B7R1.3 C1=CC=NC(=C1)F F120342 [1,0,0,0,0,0|2,0,0]=3 272 B7R1.3 C1=CC=NC(=C1)I I111393 [1,0,0,0,0,0|2,0,0]=3 273 B7R1.3 C1=CC=NC(=C1)N A105221 [1,0,0,0,0,0|2,0,0]=3 274 B7R1.3 C1=CC=NC(=C1)N A105222 [1,0,0,0,0,0|2,0,0]=3 275 B7R1.3 C1=CN=C(C=N1)Br B135014 [1,0,0,0,0,0|1,0,0]=2 276 B7R1.3 C1=CN=C(C=N1)Cl C124227 [1,0,0,0,0,0|1,0,0]=2 277 B7R1.3 C1=CN=C(C=N1)F F119252 [1,0,0,0,0,0|1,0,0]=2 278 B7R1.3 C1=CN=C(C=N1)I I157423 [1,0,0,0,0,0|1,0,0]=2 279 B7R1.3 C1=CN=C(C=N1)N A111242 [1,0,0,0,0,0|1,0,0]=2 280 B7R1.3 C1=CN=C(N=C1)Br B120301 [1,0,0,0,0,0|3,0,0]=4 281 B7R1.3 C1=CN=C(N=C1)Cl C132282 [1,0,0,0,0,0|3,0,0]=4 282 B7R1.3 C1=CN=C(N=C1)I I404595 [1,0,0,0,0,0|3,0,0]=4 283 B7R1.3 C1=CN=C(N=C1)N A109732 [1,0,0,0,0,0|3,0,0]=4 284 B7R1.3 C1=CN=CC(=O)N1 H134514 [1,0,0,0,0,0|0,1,1]=3 285 B7R1.3 C1=CN=CC(=O)N1 P586771 [1,0,0,0,0,0|0,1,1]=3 286 B7R1.3 C1=CN=CC(=S)N1 M170065 [1,0,0,0,0,0|0,0,2]=3 287 B7R1.3 C1=CN=CN=C1N A151327 [1,0,0,0,0,0|3,0,0]=4 288 B7R1.3 C1=CN=C[N+](=C1)[O-] P338543 [1,0,0,0,0,0|2,1,0]=4 289 B7R1.3 C1=CN=NC(=N1)N A165953 [1,0,0,0,0,0|2,0,0]=3 290 B7R1.3 C1=CN=NC=C1N P132827 [1,0,0,0,0,0|3,0,0]=4 291 B7R1.3 C1=CNC(=O)N=C1 H111812 [1,0,0,0,0,0|2,1,0]=4 292 B7R1.3 C1=CNC(=O)N=C1 P303873 [1,0,0,0,0,0|2,1,0]=4 293 B7R1.3 C1=CNC(=S)N=C1 M158441 [1,0,0,0,0,0|2,0,1]=4 294 B7R1.3 C1=CNN=CC1=O H191985 [1,0,0,0,0,0|2,1,0]=4 295 B7R1.3 CC1=CC=CC=C1 T102274 [1,0,0,0,0,0|2,0,0]=3 296 B7R1.3 CC1=CC=CC=C1 T102275 [1,0,0,0,0,0|2,0,0]=3 297 B7R1.3 CC1=CC=CC=C1 T102276 [1,0,0,0,0,0|2,0,0]=3 298 B7R1.3 CC1=CC=CC=C1 T399619 [1,0,0,0,0,0|2,0,0]=3 299 B7R1.3 CC1=CC=CC=C1 T399633 [1,0,0,0,0,0|2,0,0]=3 300 B7R1.3 CC1=CC=CC=C1 T399640 [1,0,0,0,0,0|2,0,0]=3 301 B7R1.3 CC1=CC=CC=C1 T399643 [1,0,0,0,0,0|2,0,0]=3 302 B7R1.3 CC1=CC=CC=C1 T399652 [1,0,0,0,0,0|2,0,0]=3 303 B7R1.3 CC1=CC=CC=C1 T399677 [1,0,0,0,0,0|2,0,0]=3 304 B7R1.3 CC1=CC=CC=C1 T399681 [1,0,0,0,0,0|2,0,0]=3 305 B7R1.3 CC1=CC=CC=N1 M108694 [1,0,0,0,0,0|1,0,0]=2 306 B7R1.3 CC1=CC=CC=N1 M108695 [1,0,0,0,0,0|1,0,0]=2 307 B7R1.3 CC1=CC=CC=N1 P122349 [1,0,0,0,0,0|1,0,0]=2 308 B7R1.3 CC1=CC=NC=C1 P105226 [1,0,0,0,0,0|3,0,0]=4 309 B7R1.3 CC1=CCC=CC1 M113652 [1,0,0,0,0,0|2,0,0]=3 310 B7R1.3 CC1=CN=CC=C1 P109209 [1,0,0,0,0,0|1,0,0]=2 311 B7R1.3 CC1=CN=CC=C1 P109210 [1,0,0,0,0,0|1,0,0]=2 312 B7R1.3 CC1=CN=CN=C1 M132067 [1,0,0,0,0,0|2,0,0]=3 313 B7R1.3 CC1=CN=NC=C1 M157845 [1,0,0,0,0,0|2,0,0]=3 314 B7R1.3 CC1=NC=CN=C1 M158369 [1,0,0,0,0,0|0,0,0]=1 315 B7R1.3 CC1=NC=NC=C1 M134934 [1,0,0,0,0,0|2,0,0]=3 316 B7R1.3 CC1=NN=CC=C1 M131781 [1,0,0,0,0,0|2,0,0]=3 317 B7R1.3 C[N+]1=CC=CC=C1 M302265 [1,0,0,0,0,0|3,0,0]=4 318 B7R1.3 Cc1ccccn1 M141144 [1,0,0,0,0,0|1,0,0]=2 319 B7R1.3 Oc1ccccc1 BWY272999 [1,0,0,0,0,0|2,1,0]=4 320 B7R1.3 Oc1ccccc1 BWY273026 [1,0,0,0,0,0|2,1,0]=4 321 B7R1.3 Oc1ccccc1 P100768 [1,0,0,0,0,0|2,1,0]=4 322 B7R1.3 Oc1ccccc1 P117348 [1,0,0,0,0,0|2,1,0]=4 323 B7R1.3 [CH2-]C1=CC=CC=C1 B465975 [1,0,0,0,0,0|2,0,1]=4 324 B9R1.1 C#CC1=CN=C(C=C1)F E590351 [0,1,0,0,0,0|2,0,1]=4 325 B9R1.1 C#CC1=NC=C(C=C1)Br B152260 [0,1,0,0,0,0|2,0,1]=4 326 B9R1.1 C1=C(N=CC(=N1)Cl)CO C177296 [0,1,0,0,0,0|2,0,0]=3 327 B9R1.1 C1=CC(=NC=C1Br)C#N B107722 [0,1,0,0,0,0|3,0,0]=4 328 B9R1.1 C1=CC(=NC=C1Br)C=O B119147 [0,1,0,0,0,0|3,0,0]=4 329 B9R1.1 C1=CC(=NC=C1Br)CN B182096 [0,1,0,0,0,0|3,0,0]=4 330 B9R1.1 C1=CC(=NC=C1Br)CO B121986 [0,1,0,0,0,0|3,0,0]=4 331 B9R1.1 C1=CC(=NC=C1Br)NN B139270 [0,1,0,0,0,0|3,0,0]=4 332 B9R1.1 C1=CC(=NC=C1C#N)Br B151862 [0,1,0,0,0,0|3,0,0]=4 333 B9R1.1 C1=CC(=NC=C1C#N)Cl C123447 [0,1,0,0,0,0|3,0,0]=4 334 B9R1.1 C1=CC(=NC=C1C#N)F F176363 [0,1,0,0,0,0|3,0,0]=4 335 B9R1.1 C1=CC(=NC=C1C#N)N A151661 [0,1,0,0,0,0|3,0,0]=4 336 B9R1.1 C1=CC(=NC=C1C=O)Br B115763 [0,1,0,0,0,0|3,0,0]=4 337 B9R1.1 C1=CC(=NC=C1C=O)Cl C122666 [0,1,0,0,0,0|3,0,0]=4 338 B9R1.1 C1=CC(=NC=C1C=O)F F185975 [0,1,0,0,0,0|3,0,0]=4 339 B9R1.1 C1=CC(=NC=C1C=O)N A177224 [0,1,0,0,0,0|3,0,0]=4 340 B9R1.1 C1=CC(=NC=C1CBr)Cl B182268 [0,1,0,0,0,0|3,0,0]=4 341 B9R1.1 C1=CC(=NC=C1CCl)Cl C106558 [0,1,0,0,0,0|3,0,0]=4 342 B9R1.1 C1=CC(=NC=C1CN)Cl A113916 [0,1,0,0,0,0|3,0,0]=4 343 B9R1.1 C1=CC(=NC=C1CO)Br B123090 [0,1,0,0,0,0|3,0,0]=4 344 B9R1.1 C1=CC(=NC=C1CO)Cl C154056 [0,1,0,0,0,0|3,0,0]=4 345 B9R1.1 C1=CC(=NC=C1CO)F F184294 [0,1,0,0,0,0|3,0,0]=4 346 B9R1.1 C1=CC(=NC=C1CO)N A136079 [0,1,0,0,0,0|3,0,0]=4 347 B9R1.1 C1=CC(=NC=C1Cl)C#N C154079 [0,1,0,0,0,0|3,0,0]=4 348 B9R1.1 C1=CC(=NC=C1Cl)C=O C154077 [0,1,0,0,0,0|3,0,0]=4 349 B9R1.1 C1=CC(=NC=C1Cl)NN C183340 [0,1,0,0,0,0|3,0,0]=4 350 B9R1.1 C1=CC(=NC=C1F)C#N C119652 [0,1,0,0,0,0|3,0,0]=4 351 B9R1.1 C1=CC(=NC=C1F)CN A589490 [0,1,0,0,0,0|3,0,0]=4 352 B9R1.1 C1=CC(=NC=C1F)CO F177498 [0,1,0,0,0,0|3,0,0]=4 353 B9R1.1 C1=CC(=NC=C1N)C#N A123440 [0,1,0,0,0,0|3,0,0]=4 354 B9R1.1 C1=CC(=NC=C1O)C#N H177767 [0,1,0,0,0,0|3,0,0]=4 355 B9R1.1 C1=CC(=NC=C1O)C=O H192663 [0,1,0,0,0,0|3,0,0]=4 356 B9R1.1 CC1=CC=C(C=C1)NC N159024 [0,1,0,0,0,0|3,0,0]=4 357 B9R1.1 CC1=CC=C(C=C1)OC M106728 [0,1,0,0,0,0|2,1,0]=4 358 B9R1.1 CC1=CC=C(C=C1)SC M101848 [0,1,0,0,0,0|2,0,0]=3 359 B9R1.1 CC1=CN=C(C=C1)C#N C132411 [0,1,0,0,0,0|3,0,0]=4 360 B9R1.1 CC1=CN=C(C=C1)C=O M170606 [0,1,0,0,0,0|3,0,0]=4 361 B9R1.1 CC1=CN=C(C=C1)CN M589171 [0,1,0,0,0,0|3,0,0]=4 362 B9R1.1 CC1=CN=C(C=C1)OC M181247 [0,1,0,0,0,0|1,1,0]=3 363 B9R1.1 CC1=CN=C(C=N1)C=O M176646 [0,1,0,0,0,0|2,0,0]=3 364 B9R1.1 CC1=CN=C(C=N1)CN A151407 [0,1,0,0,0,0|2,0,0]=3 365 B9R1.1 CC1=NC=C(C=C1)C#N C140251 [0,1,0,0,0,0|3,0,0]=4 366 B9R1.1 CC1=NC=C(C=C1)C=O W134999 [0,1,0,0,0,0|3,0,0]=4 367 B9R1.1 CC1=NC=C(C=C1)CO W136158 [0,1,0,0,0,0|3,0,0]=4 368 B9R1.1 CC1=NN=C(C=C1)OC M587689 [0,1,0,0,0,0|2,1,0]=4 369 B9R1.1 CCC1=CC=C(C=C1)Br B101890 [0,1,0,0,0,0|3,0,0]=4 370 B9R1.1 CCC1=CC=C(C=C1)Br B141181 [0,1,0,0,0,0|3,0,0]=4 371 B9R1.1 CCC1=CC=C(C=C1)C E123489 [0,1,0,0,0,0|3,0,0]=4 372 B9R1.1 CCC1=CC=C(C=C1)Cl C171229 [0,1,0,0,0,0|3,0,0]=4 373 B9R1.1 CCC1=CC=C(C=C1)I E189089 [0,1,0,0,0,0|3,0,0]=4 374 B9R1.1 CCC1=CC=C(C=C1)N E102230 [0,1,0,0,0,0|3,0,0]=4 375 B9R1.1 CCC1=CC=C(C=C1)O E115497 [0,1,0,0,0,0|3,0,0]=4 376 B9R1.1 CCC1=CC=C(C=C1)S E156190 [0,1,0,0,0,0|3,0,0]=4 377 B9R1.1 CCC1=CN=C(C=C1)C E101695 [0,1,0,0,0,0|2,0,0]=3 378 B9R1.1 CCC1=CN=C(C=C1)N E587963 [0,1,0,0,0,0|2,0,0]=3 379 B9R1.1 CCC1=CN=C(N=C1)Cl C124060 [0,1,0,0,0,0|3,0,0]=4 380 B9R1.1 CCC1=NC=C(N=C1)C E302421 [0,1,0,0,0,0|1,0,0]=2 381 B9R1.1 CNC1=CC=C(C=C1)Br B304406 [0,1,0,0,0,0|3,0,0]=4 382 B9R1.1 CNC1=CC=C(C=C1)Cl C139458 [0,1,0,0,0,0|3,0,0]=4 383 B9R1.1 CNC1=CC=C(C=C1)F F170454 [0,1,0,0,0,0|3,0,0]=4 384 B9R1.1 CNC1=CC=C(C=C1)N N589686 [0,1,0,0,0,0|3,0,0]=4 385 B9R1.1 CNC1=CN=C(C=C1)Br B586167 [0,1,0,0,0,0|2,0,0]=3 386 B9R1.1 CNC1=NC=C(C=N1)Br B183617 [0,1,0,0,0,0|3,0,0]=4 387 B9R1.1 COC1=CC=C(C=C1)Br B108656 [0,1,0,0,0,0|2,1,0]=4 388 B9R1.1 COC1=CC=C(C=C1)Cl C113571 [0,1,0,0,0,0|2,1,0]=4 389 B9R1.1 COC1=CC=C(C=C1)F F123675 [0,1,0,0,0,0|2,1,0]=4 390 B9R1.1 COC1=CC=C(C=C1)I I107035 [0,1,0,0,0,0|2,1,0]=4 391 B9R1.1 COC1=CC=C(C=C1)I L359048 [0,1,0,0,0,0|2,1,0]=4 392 B9R1.1 COC1=CC=C(C=C1)N A106071 [0,1,0,0,0,0|2,1,0]=4 393 B9R1.1 COC1=CC=C(C=C1)N A615348 [0,1,0,0,0,0|2,1,0]=4 394 B9R1.1 COC1=CC=C(C=C1)N P160121 [0,1,0,0,0,0|2,1,0]=4 395 B9R1.1 COC1=CC=C(C=C1)O M104222 [0,1,0,0,0,0|2,1,0]=4 396 B9R1.1 COC1=CC=C(C=C1)S M101780 [0,1,0,0,0,0|2,1,0]=4 397 B9R1.1 COC1=CC=C(O)C=C1 M408201 [0,1,0,0,0,0|2,1,0]=4 398 B9R1.1 COC1=CN=C(C=C1)Br B179025 [0,1,0,0,0,0|1,1,0]=3 399 B9R1.1 COC1=CN=C(C=C1)Cl C190823 [0,1,0,0,0,0|1,1,0]=3 400 B9R1.1 COC1=CN=C(C=C1)F F190725 [0,1,0,0,0,0|1,1,0]=3 401 B9R1.1 COC1=CN=C(C=C1)N M171668 [0,1,0,0,0,0|1,1,0]=3 402 B9R1.1 COC1=CN=C(N=C1)Cl C123459 [0,1,0,0,0,0|2,1,0]=4 403 B9R1.1 COC1=CN=C(N=C1)N M173441 [0,1,0,0,0,0|2,1,0]=4 404 B9R1.1 COC1=NC=C(C=C1)Br B115758 [0,1,0,0,0,0|1,1,0]=3 405 B9R1.1 COC1=NC=C(C=C1)Cl C120716 [0,1,0,0,0,0|1,1,0]=3 406 B9R1.1 COC1=NC=C(C=C1)F F120714 [0,1,0,0,0,0|1,1,0]=3 407 B9R1.1 COC1=NC=C(C=C1)I I132230 [0,1,0,0,0,0|1,1,0]=3 408 B9R1.1 COC1=NC=C(C=C1)N A151664 [0,1,0,0,0,0|1,1,0]=3 409 B9R1.1 COC1=NC=C(C=C1)N A400674 [0,1,0,0,0,0|1,1,0]=3 410 B9R1.1 COC1=NC=C(C=C1)O H184927 [0,1,0,0,0,0|1,1,0]=3 411 B9R1.1 COC1=NC=C(C=N1)Br B123560 [0,1,0,0,0,0|2,1,0]=4 412 B9R1.1 COC1=NC=C(C=N1)Cl C193117 [0,1,0,0,0,0|2,1,0]=4 413 B9R1.1 COC1=NN=C(C=C1)Br B182084 [0,1,0,0,0,0|2,1,0]=4 414 B9R1.1 COC1=NN=C(C=C1)Cl C154051 [0,1,0,0,0,0|2,1,0]=4 415 B9R1.1 COC1=NN=C(C=C1)I I191532 [0,1,0,0,0,0|2,1,0]=4 416 B9R1.1 COC1=NN=C(C=C1)N A337871 [0,1,0,0,0,0|2,1,0]=4 417 B9R1.1 CSC1=CC=C(C=C1)Br B101844 [0,1,0,0,0,0|2,0,0]=3 418 B9R1.1 CSC1=CC=C(C=C1)Cl C101840 [0,1,0,0,0,0|2,0,0]=3 419 B9R1.1 CSC1=CC=C(C=C1)F F101837 [0,1,0,0,0,0|2,0,0]=3 420 B9R1.1 CSC1=CC=C(C=C1)N M101835 [0,1,0,0,0,0|2,0,0]=3 421 B9R1.1 CSC1=CC=C(C=C1)O M100813 [0,1,0,0,0,0|2,0,0]=3 422 B9R1.1 CSC1=CC=C(C=C1)S M101782 [0,1,0,0,0,0|2,0,0]=3 423 B9R1.1 CSC1=NC=C(C=C1)Br B122969 [0,1,0,0,0,0|1,0,0]=2 424 B9R1.1 CSC1=NC=C(C=N1)Br W131884 [0,1,0,0,0,0|2,0,0]=3 425 B9R1.1 CSC1=NC=C(C=N1)Cl C170048 [0,1,0,0,0,0|2,0,0]=3 426 B9R1.1 CSC1=NC=C(C=N1)F F338628 [0,1,0,0,0,0|2,0,0]=3 427 B9R1.2 C1=C(C=NC=C1Br)C#N B121801 [0,1,0,0,0,0|3,0,0]=4 428 B9R1.2 C1=C(C=NC=C1Br)C=O B111394 [0,1,0,0,0,0|3,0,0]=4 429 B9R1.2 C1=C(C=NC=C1Br)CO B124232 [0,1,0,0,0,0|3,0,0]=4 430 B9R1.2 C1=C(C=NC=C1Br)CO B494555 [0,1,0,0,0,0|3,0,0]=4 431 B9R1.2 C1=C(C=NC=C1Cl)C#N C193669 [0,1,0,0,0,0|3,0,0]=4 432 B9R1.2 C1=C(C=NC=C1Cl)C=O C165987 [0,1,0,0,0,0|3,0,0]=4 433 B9R1.2 C1=C(C=NC=C1Cl)CCl C177606 [0,1,0,0,0,0|3,0,0]=4 434 B9R1.2 C1=C(C=NC=C1Cl)CO C168770 [0,1,0,0,0,0|3,0,0]=4 435 B9R1.2 C1=C(C=NC=C1F)C=O F176383 [0,1,0,0,0,0|3,0,0]=4 436 B9R1.2 C1=C(C=NC=C1I)C=O I340108 [0,1,0,0,0,0|3,0,0]=4 437 B9R1.2 C1=C(C=NC=C1N)C#N A181298 [0,1,0,0,0,0|3,0,0]=4 438 B9R1.2 C1=C(N=C(C=N1)Cl)CO C586741 [0,1,0,0,0,0|2,0,0]=3 439 B9R1.2 C1=C(N=C(C=N1)Cl)NN C185693 [0,1,0,0,0,0|2,0,0]=3 440 B9R1.2 C1=CC(=NC(=C1)Br)C#N W132621 [0,1,0,0,0,0|3,0,0]=4 441 B9R1.2 C1=CC(=NC(=C1)Br)C=O B115762 [0,1,0,0,0,0|3,0,0]=4 442 B9R1.2 C1=CC(=NC(=C1)Br)CBr B186803 [0,1,0,0,0,0|3,0,0]=4 443 B9R1.2 C1=CC(=NC(=C1)Br)CN B191781 [0,1,0,0,0,0|3,0,0]=4 444 B9R1.2 C1=CC(=NC(=C1)Br)CN B195815 [0,1,0,0,0,0|3,0,0]=4 445 B9R1.2 C1=CC(=NC(=C1)Br)CO B115778 [0,1,0,0,0,0|3,0,0]=4 446 B9R1.2 C1=CC(=NC(=C1)Br)NN B152452 [0,1,0,0,0,0|3,0,0]=4 447 B9R1.2 C1=CC(=NC(=C1)Cl)C#N W136246 [0,1,0,0,0,0|3,0,0]=4 448 B9R1.2 C1=CC(=NC(=C1)Cl)C=O C154078 [0,1,0,0,0,0|3,0,0]=4 449 B9R1.2 C1=CC(=NC(=C1)Cl)CO C183811 [0,1,0,0,0,0|3,0,0]=4 450 B9R1.2 C1=CC(=NC(=C1)Cl)NN C153939 [0,1,0,0,0,0|3,0,0]=4 451 B9R1.2 C1=CC(=NC(=C1)F)C#N F138786 [0,1,0,0,0,0|3,0,0]=4 452 B9R1.2 C1=CC(=NC(=C1)F)C=O F182684 [0,1,0,0,0,0|3,0,0]=4 453 B9R1.2 C1=CC(=NC(=C1)N)C#N A588907 [0,1,0,0,0,0|3,0,0]=4 454 B9R1.2 C1=CC(=NC(=C1)N)CO A120737 [0,1,0,0,0,0|3,0,0]=4 455 B9R1.2 C1=CN=C(C=C1Br)C#N B136977 [0,1,0,0,0,0|3,0,0]=4 456 B9R1.2 C1=CN=C(C=C1Br)CN B177735 [0,1,0,0,0,0|3,0,0]=4 457 B9R1.2 C1=CN=C(C=C1Br)NN B586156 [0,1,0,0,0,0|3,0,0]=4 458 B9R1.2 C1=CN=C(C=C1Cl)C#N C120793 [0,1,0,0,0,0|3,0,0]=4 459 B9R1.2 C1=CN=C(C=C1Cl)C=O C176987 [0,1,0,0,0,0|3,0,0]=4 460 B9R1.2 C1=CN=C(C=C1Cl)CCl C189999 [0,1,0,0,0,0|3,0,0]=4 461 B9R1.2 C1=CN=C(C=C1Cl)CN C175147 [0,1,0,0,0,0|3,0,0]=4 462 B9R1.2 C1=CN=C(C=C1F)C#N F283598 [0,1,0,0,0,0|3,0,0]=4 463 B9R1.2 CC1=CC(=CC=C1)NC M107962 [0,1,0,0,0,0|3,0,0]=4 464 B9R1.2 CC1=CC(=CC=C1)OC M158111 [0,1,0,0,0,0|2,1,0]=4 465 B9R1.2 CC1=CC(=CC=C1)SC M351262 [0,1,0,0,0,0|2,0,0]=3 466 B9R1.2 CC1=CC(=CN=C1)C#N M170328 [0,1,0,0,0,0|3,0,0]=4 467 B9R1.2 CC1=CC(=CN=C1)CCl C178714 [0,1,0,0,0,0|3,0,0]=4 468 B9R1.2 CC1=CC(=NC=C1)C#N C132269 [0,1,0,0,0,0|3,0,0]=4 469 B9R1.2 CC1=CC(=NC=C1)C=O M124675 [0,1,0,0,0,0|3,0,0]=4 470 B9R1.2 CC1=CC(=NC=C1)CN M586928 [0,1,0,0,0,0|3,0,0]=4 471 B9R1.2 CC1=CC(=NC=C1)CN M588861 [0,1,0,0,0,0|3,0,0]=4 472 B9R1.2 CC1=CC(=NC=C1)NN H589250 [0,1,0,0,0,0|3,0,0]=4 473 B9R1.2 CC1=CC(=NC=C1)OC M122668 [0,1,0,0,0,0|1,1,0]=3 474 B9R1.2 CC1=NC(=CC=C1)C#N C107723 [0,1,0,0,0,0|3,0,0]=4 475 B9R1.2 CC1=NC(=CC=C1)C=O M101568 [0,1,0,0,0,0|3,0,0]=4 476 B9R1.2 CC1=NC(=CC=C1)CBr B589873 [0,1,0,0,0,0|3,0,0]=4 477 B9R1.2 CC1=NC(=CC=C1)CCl C405541 [0,1,0,0,0,0|3,0,0]=4 478 B9R1.2 CC1=NC(=CC=C1)CN M194459 [0,1,0,0,0,0|3,0,0]=4 479 B9R1.2 CC1=NC(=CC=C1)CO M115780 [0,1,0,0,0,0|3,0,0]=4 480 B9R1.2 CC1=NC(=CC=C1)OC M108062 [0,1,0,0,0,0|1,1,0]=3 481 B9R1.2 CC1=NC(=NC=C1)SC M124713 [0,1,0,0,0,0|2,0,0]=3 482 B9R1.2 CCC1=CC(=CC=C1)Br B101889 [0,1,0,0,0,0|3,0,0]=4 483 B9R1.2 CCC1=CC(=CC=C1)Cl C589677 [0,1,0,0,0,0|3,0,0]=4 484 B9R1.2 CCC1=CC(=CC=C1)I E587883 [0,1,0,0,0,0|3,0,0]=4 485 B9R1.2 CCC1=CC(=CC=C1)N E101873 [0,1,0,0,0,0|3,0,0]=4 486 B9R1.2 CCC1=CC(=CC=C1)O E156226 [0,1,0,0,0,0|3,0,0]=4 487 B9R1.2 CCC1=CC=CC(=C1)C E113367 [0,1,0,0,0,0|3,0,0]=4 488 B9R1.2 CCC1=NC(=NC=C1)N E586542 [0,1,0,0,0,0|3,0,0]=4 489 B9R1.2 CNC1=CC(=CC=C1)Br B194483 [0,1,0,0,0,0|3,0,0]=4 490 B9R1.2 CNC1=CC(=CC=C1)Cl C153906 [0,1,0,0,0,0|3,0,0]=4 491 B9R1.2 CNC1=CC(=CC=C1)F F168315 [0,1,0,0,0,0|3,0,0]=4 492 B9R1.2 CNC1=CC(=CC=C1)O M587311 [0,1,0,0,0,0|3,0,0]=4 493 B9R1.2 CNC1=CC(=NC=N1)Cl C194437 [0,1,0,0,0,0|3,0,0]=4 494 B9R1.2 CNC1=NC(=CC=C1)Cl C195623 [0,1,0,0,0,0|2,0,0]=3 495 B9R1.2 COC1=CC(=CC=C1)Br B100846 [0,1,0,0,0,0|2,1,0]=4 496 B9R1.2 COC1=CC(=CC=C1)Cl C106486 [0,1,0,0,0,0|2,1,0]=4 497 B9R1.2 COC1=CC(=CC=C1)F F120587 [0,1,0,0,0,0|2,1,0]=4 498 B9R1.2 COC1=CC(=CC=C1)I I123674 [0,1,0,0,0,0|2,1,0]=4 499 B9R1.2 COC1=CC(=CC=C1)S M101779 [0,1,0,0,0,0|2,1,0]=4 500 B9R1.2 COC1=CC(=CN=C1)Br B115755 [0,1,0,0,0,0|1,1,0]=3 501 B9R1.2 COC1=CC(=CN=C1)Cl C479903 [0,1,0,0,0,0|1,1,0]=3 502 B9R1.2 COC1=CC(=NC=N1)Cl C120232 [0,1,0,0,0,0|2,1,0]=4 503 B9R1.2 COC1=CC(=NN=C1)Cl C172842 [0,1,0,0,0,0|2,1,0]=4 504 B9R1.2 COC1=CC=CC(=C1)N A107482 [0,1,0,0,0,0|2,1,0]=4 505 B9R1.2 COC1=CC=CC(=C1)O M109432 [0,1,0,0,0,0|2,1,0]=4 506 B9R1.2 COC1=CC=CC(=C1)[CH2-] M300737 [0,1,0,0,0,0|2,1,0]=4 507 B9R1.2 COC1=CC=CC(=N1)N A119397 [0,1,0,0,0,0|1,1,0]=3 508 B9R1.2 COC1=CN=CC(=C1)O W132603 [0,1,0,0,0,0|1,1,0]=3 509 B9R1.2 COC1=NC(=CC=C1)Br B115753 [0,1,0,0,0,0|1,1,0]=3 510 B9R1.2 COC1=NC(=CC=C1)Cl C115751 [0,1,0,0,0,0|1,1,0]=3 511 B9R1.2 COC1=NC(=CC=C1)F F179764 [0,1,0,0,0,0|1,1,0]=3 512 B9R1.2 COC1=NC(=CC=C1)I I168070 [0,1,0,0,0,0|1,1,0]=3 513 B9R1.2 COC1=NC(=NC=C1)Cl C138524 [0,1,0,0,0,0|2,1,0]=4 514 B9R1.2 COC1=NC=CC(=C1)Br B178692 [0,1,0,0,0,0|1,1,0]=3 515 B9R1.2 COC1=NC=CC(=C1)Cl C186239 [0,1,0,0,0,0|1,1,0]=3 516 B9R1.2 COC1=NC=CC(=C1)N M119976 [0,1,0,0,0,0|1,1,0]=3 517 B9R1.2 COC1=NC=CC(=N1)N M176143 [0,1,0,0,0,0|2,1,0]=4 518 B9R1.2 COC1=NC=NC(=C1)N A333072 [0,1,0,0,0,0|2,1,0]=4 519 B9R1.2 CSC1=CC(=CC=C1)Br B101842 [0,1,0,0,0,0|2,0,0]=3 520 B9R1.2 CSC1=CC(=CC=C1)Cl C101839 [0,1,0,0,0,0|2,0,0]=3 521 B9R1.2 CSC1=CC(=NC=N1)Cl C136932 [0,1,0,0,0,0|2,0,0]=3 522 B9R1.2 CSC1=CC=CC(=C1)F F156685 [0,1,0,0,0,0|2,0,0]=3 523 B9R1.2 CSC1=CC=CC(=C1)N M101834 [0,1,0,0,0,0|2,0,0]=3 524 B9R1.2 CSC1=NC=CC(=N1)Cl C123212 [0,1,0,0,0,0|2,0,0]=3 525 B9R1.2 CSC1=NC=CC(=N1)N W135362 [0,1,0,0,0,0|2,0,0]=3 526 B9R1.2 CSC1=NC=CC(=O)N1 M139019 [0,1,0,0,0,0|2,0,0]=3 527 B9R1.6 B(C1=CC=CC=N1)(O)O P123314 [0,1,0,0,0,0|3,0,0]=4 528 B9R1.6 B(C1=CN=CC=C1)(O)O P106882 [0,1,0,0,0,0|3,0,0]=4 529 B9R1.6 B(C1=CN=CC=C1)(O)O P396303 [0,1,0,0,0,0|3,0,0]=4 530 B9R1.6 C1=CC(=CN=C1)C(=N)N P160050 [0,1,0,0,0,0|3,0,0]=4 531 B9R1.6 C1=CC(=CN=C1)C(=O)Cl N107157 [0,1,0,0,0,0|3,0,0]=4 532 B9R1.6 C1=CC(=CN=C1)C(=O)N BWY396895 [0,1,0,0,0,0|3,0,0]=4 533 B9R1.6 C1=CC(=CN=C1)C(=O)N BWY396901 [0,1,0,0,0,0|3,0,0]=4 534 B9R1.6 C1=CC(=CN=C1)C(=O)N N105042 [0,1,0,0,0,0|3,0,0]=4 535 B9R1.6 C1=CC(=CN=C1)C(=O)N N105043 [0,1,0,0,0,0|3,0,0]=4 536 B9R1.6 C1=CC(=CN=C1)C(=O)N N108086 [0,1,0,0,0,0|3,0,0]=4 537 B9R1.6 C1=CC(=CN=C1)C(=O)N N108087 [0,1,0,0,0,0|3,0,0]=4 538 B9R1.6 C1=CC(=CN=C1)C(=O)N N434628 [0,1,0,0,0,0|3,0,0]=4 539 B9R1.6 C1=CC(=CN=C1)C(=O)O N103652 [0,1,0,0,0,0|3,0,0]=4 540 B9R1.6 C1=CC(=CN=C1)C(=O)O N103654 [0,1,0,0,0,0|3,0,0]=4 541 B9R1.6 C1=CC(=CN=C1)C(=O)O N118655 [0,1,0,0,0,0|3,0,0]=4 542 B9R1.6 C1=CC(=CN=C1)C(=O)O N118656 [0,1,0,0,0,0|3,0,0]=4 543 B9R1.6 C1=CC(=CN=C1)C(=O)O N433033 [0,1,0,0,0,0|3,0,0]=4 544 B9R1.6 C1=CC(=CN=C1)C(=O)[O-] S161385 [0,1,0,0,0,0|3,0,0]=4 545 B9R1.6 C1=CC(=CN=C1)C(=S)N T161553 [0,1,0,0,0,0|3,0,0]=4 546 B9R1.6 C1=CC(=CN=C1)S(=O)[O-] S586711 [0,1,0,0,0,0|2,0,1]=4 547 B9R1.6 C1=CC=NC(=C1)C(=N)N A130010 [0,1,0,0,0,0|3,0,0]=4 548 B9R1.6 C1=CC=NC(=C1)C(=O)Cl P133422 [0,1,0,0,0,0|3,0,0]=4 549 B9R1.6 C1=CC=NC(=C1)C(=O)N P138238 [0,1,0,0,0,0|3,0,0]=4 550 B9R1.6 C1=CC=NC(=C1)C(=O)O D118689 [0,1,0,0,0,0|3,0,0]=4 551 B9R1.6 C1=CC=NC(=C1)C(=O)O P101920 [0,1,0,0,0,0|3,0,0]=4 552 B9R1.6 C1=CC=NC(=C1)C(=O)O P160049 [0,1,0,0,0,0|3,0,0]=4 553 B9R1.6 C1=CC=NC(=C1)C(=O)[O-] C101910 [0,1,0,0,0,0|3,0,0]=4 554 B9R1.6 C1=CC=NC(=C1)C(=O)[O-] C421694 [0,1,0,0,0,0|3,0,0]=4 555 B9R1.6 C1=CC=NC(=C1)C(F)F D166109 [0,1,0,0,0,0|3,0,0]=4 556 B9R1.6 C1=CC=NC(=C1)S(=O)[O-] S404833 [0,1,0,0,0,0|2,0,1]=4 557 B9R1.6 C1=CC=NC(=C1)[N+](=O)[O-] N167434 [0,1,0,0,0,0|3,0,0]=4 558 B9R1.6 C1=CN=C(C=N1)C(=N)N P344029 [0,1,0,0,0,0|2,0,0]=3 559 B9R1.6 C1=CN=C(C=N1)C(=O)N P129219 [0,1,0,0,0,0|2,0,0]=3 560 B9R1.6 C1=CN=C(C=N1)C(=O)O P106883 [0,1,0,0,0,0|2,0,0]=3 561 B9R1.6 C1=CN=C(C=N1)C(=S)N P170458 [0,1,0,0,0,0|2,0,0]=3 562 B9R1.6 CC(=C)C1=CC=CC=C1 M104900 [0,1,0,0,0,0|3,0,0]=4 563 B9R1.6 CC(=C)C1=CC=CC=C1 M104901 [0,1,0,0,0,0|3,0,0]=4 564 B9R1.6 CC(=C)C1=CC=CC=C1 P347730 [0,1,0,0,0,0|3,0,0]=4 565 B9R1.6 CC(=C)C1=CC=CC=C1 P491419 [0,1,0,0,0,0|3,0,0]=4 566 B9R1.6 CC(=O)C1=CC=CC=C1 A103666 [0,1,0,0,0,0|3,0,0]=4 567 B9R1.6 CC(=O)C1=CC=CC=C1 A103667 [0,1,0,0,0,0|3,0,0]=4 568 B9R1.6 CC(=O)C1=CC=CC=C1 A103669 [0,1,0,0,0,0|3,0,0]=4 569 B9R1.6 CC(=O)C1=CC=CC=C1 A427211 [0,1,0,0,0,0|3,0,0]=4 570 B9R1.6 CC(=O)C1=CC=CC=C1 A471960 [0,1,0,0,0,0|3,0,0]=4 571 B9R1.6 CC(=O)C1=CC=CC=C1 A474131 [0,1,0,0,0,0|3,0,0]=4 572 B9R1.6 CC(=O)C1=CC=CC=C1 A474138 [0,1,0,0,0,0|3,0,0]=4 573 B9R1.6 CC(=O)C1=CC=CC=N1 A106232 [0,1,0,0,0,0|2,0,0]=3 574 B9R1.6 CC(=O)C1=CC=CC=N1 A106233 [0,1,0,0,0,0|2,0,0]=3 575 B9R1.6 CC(=O)C1=CN=CC=C1 A106235 [0,1,0,0,0,0|2,0,0]=3 576 B9R1.6 CC(=O)C1=CN=CC=C1 A106236 [0,1,0,0,0,0|2,0,0]=3 577 B9R1.6 CC(=O)C1=CN=CN=C1 P171742 [0,1,0,0,0,0|3,0,0]=4 578 B9R1.6 CC(=O)C1=CN=NC=C1 P176647 [0,1,0,0,0,0|3,0,0]=4 579 B9R1.6 CC(=O)C1=NC=CC=N1 P176709 [0,1,0,0,0,0|3,0,0]=4 580 B9R1.6 CC(=O)C1=NC=CN=C1 A100996 [0,1,0,0,0,0|1,0,0]=2 581 B9R1.6 CC(C)C1=CC=CC=C1 I101049 [0,1,0,0,0,0|3,0,0]=4 582 B9R1.6 CC(C)C1=CC=CC=C1 I101050 [0,1,0,0,0,0|3,0,0]=4 583 B9R1.6 CC(C)C1=CC=CC=C1 I101052 [0,1,0,0,0,0|3,0,0]=4 584 B9R1.6 CC(C)C1=CC=CC=N1 I177046 [0,1,0,0,0,0|2,0,0]=3 585 B9R1.6 CC(C1=CC=CC=C1)Br B104540 [0,1,0,0,0,0|3,0,0]=4 586 B9R1.6 CC(C1=CC=CC=C1)Cl C107586 [0,1,0,0,0,0|3,0,0]=4 587 B9R1.6 CC(C1=CC=CC=C1)N M105678 [0,1,0,0,0,0|3,0,0]=4 588 B9R1.6 CC(C1=CC=CC=C1)N M105679 [0,1,0,0,0,0|3,0,0]=4 589 B9R1.6 CC(C1=CC=CC=C1)N M106714 [0,1,0,0,0,0|3,0,0]=4 590 B9R1.6 CC(C1=CC=CC=C1)N M141280 [0,1,0,0,0,0|3,0,0]=4 591 B9R1.6 CC(C1=CC=CC=C1)N R432669 [0,1,0,0,0,0|3,0,0]=4 592 B9R1.6 CC(C1=CC=CC=C1)N R432670 [0,1,0,0,0,0|3,0,0]=4 593 B9R1.6 CC(C1=CC=CC=C1)N R432682 [0,1,0,0,0,0|3,0,0]=4 594 B9R1.6 CC(C1=CC=CC=C1)N S135224 [0,1,0,0,0,0|3,0,0]=4 595 B9R1.6 CC(C1=CC=CC=C1)N S432505 [0,1,0,0,0,0|3,0,0]=4 596 B9R1.6 CC(C1=CC=CC=C1)O P100878 [0,1,0,0,0,0|3,0,0]=4 597 B9R1.6 CC(C1=CC=CC=C1)O P103660 [0,1,0,0,0,0|3,0,0]=4 598 B9R1.6 CC(C1=CC=CC=C1)O P113820 [0,1,0,0,0,0|3,0,0]=4 599 B9R1.6 CC(C1=CC=CC=C1)O P165285 [0,1,0,0,0,0|3,0,0]=4 600 B9R1.6 CC(C1=CC=CC=N1)N P589080 [0,1,0,0,0,0|2,0,0]=3 601 B9R1.6 CC(C1=CC=CC=N1)O P191765 [0,1,0,0,0,0|2,0,0]=3 602 B9R1.6 CC(C1=CC=CC=N1)O R404547 [0,1,0,0,0,0|2,0,0]=3 603 B9R1.6 CC(C1=CC=CC=N1)O S161029 [0,1,0,0,0,0|2,0,0]=3 604 B9R1.6 CC(C1=CN=CC=C1)N P193948 [0,1,0,0,0,0|2,0,0]=3 605 B9R1.6 CN(C)C1=CC=CC=C1 D100060 [0,1,0,0,0,0|3,0,0]=4 606 B9R1.6 CN(C)C1=CC=CC=C1 D100061 [0,1,0,0,0,0|3,0,0]=4 607 B9R1.6 CN(C)C1=CC=CC=C1 D100063 [0,1,0,0,0,0|3,0,0]=4 608 B9R1.6 CN(C)C1=CC=CC=N1 D154133 [0,1,0,0,0,0|2,0,0]=3 609 B9R1.6 CN(C1=CC=CC=C1)N M298692 [0,1,0,0,0,0|3,0,0]=4 610 B9R1.6 CP(C)C1=CC=CC=C1 C118698 [0,1,0,0,0,0|3,0,0]=4 611 B9R1.6 CP(C)C1=CC=CC=C1 D115603 [0,1,0,0,0,0|3,0,0]=4 612 B9R1.6 CS(=O)C1=CC=CC=C1 M158079 [0,1,0,0,0,0|2,0,1]=4 613 B9R1.6 CS(=O)C1=CC=CC=C1 M464276 [0,1,0,0,0,0|2,0,1]=4 614 B9R1.6 C[Si](=O)C1=CC=CC=C1 P331251 [0,1,0,0,0,0|3,0,0]=4 615 B9R1.6 C[Si](C)C1=CC=CC=C1 D111809 [0,1,0,0,0,0|3,0,0]=4 616 B9R1.6 C[Si](C)C1=CC=CC=N1 D331179 [0,1,0,0,0,0|2,0,0]=3 617 B9R1.6 NC(=O)C1=CC=CN=C1 N407906 [0,1,0,0,0,0|3,0,0]=4 618 B9R1.6 NC(=O)C1=NC=CN=C1 P408463 [0,1,0,0,0,0|2,0,0]=3 619 B9R1.6 OC(=O)C1=CC=CN=C1 N407808 [0,1,0,0,0,0|3,0,0]=4 620 B9R1.8 C1=CC(=CN=C1)C=NO P166345 [0,1,0,0,0,0|3,0,0]=4 621 B9R1.8 C1=CC(=CN=C1)CC#N P137656 [0,1,0,0,0,0|2,0,1]=4 622 B9R1.8 C1=CC(=CN=C1)CCN A151786 [0,1,0,0,0,0|2,0,0]=3 623 B9R1.8 C1=CC(=CN=C1)CCN A169450 [0,1,0,0,0,0|2,0,0]=3 624 B9R1.8 C1=CC(=CN=C1)N=C=S P140429 [0,1,0,0,0,0|2,0,1]=4 625 B9R1.8 C1=CC=C(C=C1)CCBr B106895 [0,1,0,0,0,0|3,0,0]=4 626 B9R1.8 C1=CC=C(C=C1)CCCl C136679 [0,1,0,0,0,0|3,0,0]=4 627 B9R1.8 C1=CC=C(C=C1)CCI I138375 [0,1,0,0,0,0|3,0,0]=4 628 B9R1.8 C1=CC=C(C=C1)CCN P105641 [0,1,0,0,0,0|3,0,0]=4 629 B9R1.8 C1=CC=C(C=C1)CCN P160641 [0,1,0,0,0,0|3,0,0]=4 630 B9R1.8 C1=CC=C(C=C1)CCN P290339 [0,1,0,0,0,0|3,0,0]=4 631 B9R1.8 C1=CC=C(C=C1)CCN P408003 [0,1,0,0,0,0|3,0,0]=4 632 B9R1.8 C1=CC=C(C=C1)CCN P421867 [0,1,0,0,0,0|3,0,0]=4 633 B9R1.8 C1=CC=C(C=C1)CCN P425250 [0,1,0,0,0,0|3,0,0]=4 634 B9R1.8 C1=CC=C(C=C1)CCN P491880 [0,1,0,0,0,0|3,0,0]=4 635 B9R1.8 C1=CC=C(C=C1)CCN P493037 [0,1,0,0,0,0|3,0,0]=4 636 B9R1.8 C1=CC=C(C=C1)CCN P493125 [0,1,0,0,0,0|3,0,0]=4 637 B9R1.8 C1=CC=C(C=C1)CCO P108195 [0,1,0,0,0,0|3,0,0]=4 638 B9R1.8 C1=CC=C(C=C1)CCO P108197 [0,1,0,0,0,0|3,0,0]=4 639 B9R1.8 C1=CC=C(C=C1)CCO P424995 [0,1,0,0,0,0|3,0,0]=4 640 B9R1.8 C1=CC=C(C=C1)CCS P160530 [0,1,0,0,0,0|3,0,0]=4 641 B9R1.8 C1=CC=C(C=C1)SCCl C101827 [0,1,0,0,0,0|2,0,0]=3 642 B9R1.8 C1=CC=NC(=C1)C=NO P160056 [0,1,0,0,0,0|3,0,0]=4 643 B9R1.8 C1=CC=NC(=C1)CC#N P160781 [0,1,0,0,0,0|2,0,1]=4 644 B9R1.8 C1=CC=NC(=C1)CCBr B186289 [0,1,0,0,0,0|2,0,0]=3 645 B9R1.8 C1=CC=NC(=C1)CCN A151790 [0,1,0,0,0,0|2,0,0]=3 646 B9R1.8 C1=CC=NC(=C1)CCO P160791 [0,1,0,0,0,0|2,0,0]=3 647 B9R1.8 C1=CN=C(C=N1)CCS M103122 [0,1,0,0,0,0|1,0,0]=2 648 B9R1.8 C=CSC1=CC=CC=C1 P101810 [0,1,0,0,0,0|2,0,1]=4 649 B9R1.8 CC#CC1=CC=CC=C1 P141240 [0,1,0,0,0,0|3,0,0]=4 650 B9R1.8 CC=CC1=CC=CC=C1 C153576 [0,1,0,0,0,0|3,0,0]=4 651 B9R1.8 CC=CC1=CC=CC=C1 M136687 [0,1,0,0,0,0|3,0,0]=4 652 B9R1.8 CC=CC1=CC=CC=C1 T134052 [0,1,0,0,0,0|3,0,0]=4 653 B9R1.8 CC=CC1=CC=CC=C1 T301941 [0,1,0,0,0,0|3,0,0]=4 654 B9R1.8 CCCC1=CC=CC=C1 P104621 [0,1,0,0,0,0|3,0,0]=4 655 B9R1.8 CCCC1=CC=CC=C1 P104624 [0,1,0,0,0,0|3,0,0]=4 656 B9R1.8 CCCC1=CC=CC=C1 P104625 [0,1,0,0,0,0|3,0,0]=4 657 B9R1.8 CCCC1=CC=CC=C1 P104626 [0,1,0,0,0,0|3,0,0]=4 658 B9R1.8 CCCC1=CC=CC=C1 P128158 [0,1,0,0,0,0|3,0,0]=4 659 B9R1.8 CCCC1=CC=CC=N1 P160637 [0,1,0,0,0,0|2,0,0]=3 660 B9R1.8 CCCC1=NC=CN=C1 P132679 [0,1,0,0,0,0|1,0,0]=2 661 B9R1.8 CCNC1=CC=CC=C1 E103974 [0,1,0,0,0,0|3,0,0]=4 662 B9R1.8 CCOC1=CC=CC=C1 E108654 [0,1,0,0,0,0|2,1,0]=4 663 B9R1.8 CCOC1=CC=CC=C1 E108655 [0,1,0,0,0,0|2,1,0]=4 664 B9R1.8 CCOC1=CC=CC=N1 E137467 [0,1,0,0,0,0|1,1,0]=3 665 B9R1.8 CCOC1=NC=CN=C1 E136587 [0,1,0,0,0,0|0,1,0]=2 666 B9R1.8 CCSC1=CC=CC=C1 E101809 [0,1,0,0,0,0|2,0,0]=3 667 B9R1.8 CNCC1=CC=CC=C1 B106919 [0,1,0,0,0,0|3,0,0]=4 668 B9R1.8 CNCC1=CC=CC=N1 M168526 [0,1,0,0,0,0|2,0,0]=3 669 B9R1.8 CNCC1=CN=CC=C1 M138441 [0,1,0,0,0,0|2,0,0]=3 670 B9R1.8 COCC1=CC=CC=C1 B103161 [0,1,0,0,0,0|2,1,0]=4 671 B9R1.8 COCC1=CC=CC=C1 B591251 [0,1,0,0,0,0|2,1,0]=4 672 B9R1.8 CSCC1=CC=CC=C1 B152510 [0,1,0,0,0,0|2,0,0]=3 673 B9R1.15 C#CC1=C(N=CC=C1)N E194525 [0,1,0,0,0,0|2,0,1]=4 674 B9R1.15 C#CC1=NC=CN=C1N A178706 [0,1,0,0,0,0|1,0,1]=3 675 B9R1.15 C1=CC(=C(N=C1)Br)C#N B182652 [0,1,0,0,0,0|3,0,0]=4 676 B9R1.15 C1=CC(=C(N=C1)Br)C=O B107726 [0,1,0,0,0,0|3,0,0]=4 677 B9R1.15 C1=CC(=C(N=C1)Br)CBr B123443 [0,1,0,0,0,0|3,0,0]=4 678 B9R1.15 C1=CC(=C(N=C1)Br)CO B151848 [0,1,0,0,0,0|3,0,0]=4 679 B9R1.15 C1=CC(=C(N=C1)C#N)Br B119398 [0,1,0,0,0,0|3,0,0]=4 680 B9R1.15 C1=CC(=C(N=C1)C#N)Cl C122677 [0,1,0,0,0,0|3,0,0]=4 681 B9R1.15 C1=CC(=C(N=C1)C#N)F F178583 [0,1,0,0,0,0|3,0,0]=4 682 B9R1.15 C1=CC(=C(N=C1)C#N)O C139454 [0,1,0,0,0,0|3,0,0]=4 683 B9R1.15 C1=CC(=C(N=C1)C=O)Br B482551 [0,1,0,0,0,0|3,0,0]=4 684 B9R1.15 C1=CC(=C(N=C1)C=O)Cl C182663 [0,1,0,0,0,0|3,0,0]=4 685 B9R1.15 C1=CC(=C(N=C1)C=O)F F121803 [0,1,0,0,0,0|3,0,0]=4 686 B9R1.15 C1=CC(=C(N=C1)C=O)O H175252 [0,1,0,0,0,0|3,0,0]=4 687 B9R1.15 C1=CC(=C(N=C1)CCl)Br B180455 [0,1,0,0,0,0|3,0,0]=4 688 B9R1.15 C1=CC(=C(N=C1)CO)Br B184967 [0,1,0,0,0,0|3,0,0]=4 689 B9R1.15 C1=CC(=C(N=C1)CO)F F176083 [0,1,0,0,0,0|3,0,0]=4 690 B9R1.15 C1=CC(=C(N=C1)Cl)C#N C119938 [0,1,0,0,0,0|3,0,0]=4 691 B9R1.15 C1=CC(=C(N=C1)Cl)C=O C107725 [0,1,0,0,0,0|3,0,0]=4 692 B9R1.15 C1=CC(=C(N=C1)Cl)C=O C639107 [0,1,0,0,0,0|3,0,0]=4 693 B9R1.15 C1=CC(=C(N=C1)Cl)CO C154080 [0,1,0,0,0,0|3,0,0]=4 694 B9R1.15 C1=CC(=C(N=C1)F)C#N C136305 [0,1,0,0,0,0|3,0,0]=4 695 B9R1.15 C1=CC(=C(N=C1)F)C=O F169927 [0,1,0,0,0,0|3,0,0]=4 696 B9R1.15 C1=CC(=C(N=C1)N)C#N A123148 [0,1,0,0,0,0|3,0,0]=4 697 B9R1.15 C1=CC(=C(N=C1)N)C=O A115308 [0,1,0,0,0,0|3,0,0]=4 698 B9R1.15 C1=CC(=C(N=C1)N)CO A119400 [0,1,0,0,0,0|3,0,0]=4 699 B9R1.15 C1=CC(=C(N=C1)NN)Cl C182994 [0,1,0,0,0,0|3,0,0]=4 700 B9R1.15 C1=CN=C(C(=N1)C#N)N A192366 [0,1,0,0,0,0|2,0,0]=3 701 B9R1.15 C1=CN=C(C(=N1)C=O)N A176139 [0,1,0,0,0,0|2,0,0]=3 702 B9R1.15 C1=CN=CC(=C1Cl)C=O C172130 [0,1,0,0,0,0|3,0,0]=4 703 B9R1.15 C1=CN=CC(=C1Cl)CO C587861 [0,1,0,0,0,0|3,0,0]=4 704 B9R1.15 C1=CN=CC(=C1N)C=O A479063 [0,1,0,0,0,0|3,0,0]=4 705 B9R1.15 C1=CN=CC(=C1N)CO A167140 [0,1,0,0,0,0|3,0,0]=4 706 B9R1.15 CC1=C(C=CC=N1)C#N M174953 [0,1,0,0,0,0|3,0,0]=4 707 B9R1.15 CC1=C(C=CC=N1)C=O M176904 [0,1,0,0,0,0|3,0,0]=4 708 B9R1.15 CC1=C(C=CC=N1)CO W136400 [0,1,0,0,0,0|3,0,0]=4 709 B9R1.15 CC1=C(C=NC=C1)C#N C135007 [0,1,0,0,0,0|3,0,0]=4 710 B9R1.15 CC1=C(N=CC=C1)C#N C108042 [0,1,0,0,0,0|3,0,0]=4 711 B9R1.15 CC1=C(N=CC=C1)C=O M120655 [0,1,0,0,0,0|3,0,0]=4 712 B9R1.15 CC1=C(N=CC=C1)CN A482619 [0,1,0,0,0,0|3,0,0]=4 713 B9R1.15 CC1=CC=CC=C1NC N159021 [0,1,0,0,0,0|3,0,0]=4 714 B9R1.15 CC1=CC=CC=C1OC M158113 [0,1,0,0,0,0|2,1,0]=4 715 B9R1.15 CC1=NC=CN=C1CO M174600 [0,1,0,0,0,0|2,0,0]=3 716 B9R1.15 CC1=NC=CN=C1OC M102551 [0,1,0,0,0,0|0,1,0]=2 717 B9R1.15 CC1=NC=CN=C1SC M102553 [0,1,0,0,0,0|0,0,0]=1 718 B9R1.15 CCC1=CC=CC=C1Br B138432 [0,1,0,0,0,0|3,0,0]=4 719 B9R1.15 CCC1=CC=CC=C1C E140581 [0,1,0,0,0,0|3,0,0]=4 720 B9R1.15 CCC1=CC=CC=C1I E189052 [0,1,0,0,0,0|3,0,0]=4 721 B9R1.15 CCC1=CC=CC=C1N E106226 [0,1,0,0,0,0|3,0,0]=4 722 B9R1.15 CCC1=CC=CC=C1O E156225 [0,1,0,0,0,0|3,0,0]=4 723 B9R1.15 CCC1=CC=CC=C1S E101792 [0,1,0,0,0,0|3,0,0]=4 724 B9R1.15 CCC1=NC=CN=C1C E105685 [0,1,0,0,0,0|1,0,0]=2 725 B9R1.15 CCC1=NC=NC=C1F E173725 [0,1,0,0,0,0|3,0,0]=4 726 B9R1.15 CNC1=C(C=CC=N1)N N589280 [0,1,0,0,0,0|2,0,0]=3 727 B9R1.15 CNC1=CC=CC=C1Br B186004 [0,1,0,0,0,0|3,0,0]=4 728 B9R1.15 CNC1=CC=CC=C1Cl C153908 [0,1,0,0,0,0|3,0,0]=4 729 B9R1.15 CNC1=CC=CC=C1F F132815 [0,1,0,0,0,0|3,0,0]=4 730 B9R1.15 CNC1=CC=CC=C1N I134172 [0,1,0,0,0,0|3,0,0]=4 731 B9R1.15 CNC1=CC=CC=C1N M106013 [0,1,0,0,0,0|3,0,0]=4 732 B9R1.15 CNC1=CC=CC=C1O M194184 [0,1,0,0,0,0|3,0,0]=4 733 B9R1.15 COC1=C(C=CC=N1)Br B120788 [0,1,0,0,0,0|1,1,0]=3 734 B9R1.15 COC1=C(C=CC=N1)Cl C153781 [0,1,0,0,0,0|1,1,0]=3 735 B9R1.15 COC1=C(C=CC=N1)F F195529 [0,1,0,0,0,0|1,1,0]=3 736 B9R1.15 COC1=C(C=CC=N1)I l102600 [0,1,0,0,0,0|1,1,0]=3 737 B9R1.15 COC1=C(C=CC=N1)N M102591 [0,1,0,0,0,0|1,1,0]=3 738 B9R1.15 COC1=C(C=CC=N1)O M587025 [0,1,0,0,0,0|1,1,0]=3 739 B9R1.15 COC1=C(N=CC=C1)Br B120786 [0,1,0,0,0,0|1,1,0]=3 740 B9R1.15 COC1=C(N=CC=C1)Cl C135954 [0,1,0,0,0,0|1,1,0]=3 741 B9R1.15 COC1=C(N=CC=C1)F F191342 [0,1,0,0,0,0|1,1,0]=3 742 B9R1.15 COC1=C(N=CC=C1)N A165482 [0,1,0,0,0,0|1,1,0]=3 743 B9R1.15 COC1=CC=CC=C1Br B109257 [0,1,0,0,0,0|2,1,0]=4 744 B9R1.15 COC1=CC=CC=C1Cl C110652 [0,1,0,0,0,0|2,1,0]=4 745 B9R1.15 COC1=CC=CC=C1F F120586 [0,1,0,0,0,0|2,1,0]=4 746 B9R1.15 COC1=CC=CC=C1I I101929 [0,1,0,0,0,0|2,1,0]=4 747 B9R1.15 COC1=CC=CC=C1N A103995 [0,1,0,0,0,0|2,1,0]=4 748 B9R1.15 COC1=CC=CC=C1N A103997 [0,1,0,0,0,0|2,1,0]=4 749 B9R1.15 COC1=CC=CC=C1N A141230 [0,1,0,0,0,0|2,1,0]=4 750 B9R1.15 COC1=CC=CC=C1N O160024 [0,1,0,0,0,0|2,1,0]=4 751 B9R1.15 COC1=CC=CC=C1O G112735 [0,1,0,0,0,0|2,1,0]=4 752 B9R1.15 COC1=CC=CC=C1O G426764 [0,1,0,0,0,0|2,1,0]=4 753 B9R1.15 COC1=CC=CC=C1S M101778 [0,1,0,0,0,0|2,1,0]=4 754 B9R1.15 COC1=CC=CNC1=O M168513 [0,1,0,0,0,0|1,1,1]=4 755 B9R1.15 COC1=NC=CN=C1Cl C193237 [0,1,0,0,0,0|0,1,0]=2 756 B9R1.15 COC1=NC=CN=C1N M589216 [0,1,0,0,0,0|0,1,0]=2 757 B9R1.15 CSC1=CC=CC=C1Br B101843 [0,1,0,0,0,0|2,0,0]=3 758 B9R1.15 CSC1=CC=CC=C1Cl C101838 [0,1,0,0,0,0|2,0,0]=3 759 B9R1.15 CSC1=CC=CC=C1F F101836 [0,1,0,0,0,0|2,0,0]=3 760 B9R1.15 CSC1=CC=CC=C1N M158418 [0,1,0,0,0,0|2,0,0]=3 761 B9R1.15 CSC1=CC=CC=C1O M101847 [0,1,0,0,0,0|2,0,0]=3 762 B7R0.1 CCC=CC=CC=O H102914 [0,0,1,0,0,0|3,0,0]=4 763 B7R0.3 COC(=O)C=CC=C M167458 [0,0,1,0,0,0|2,1,0]=4 764 B9R2.50 C1CC2=CC=CC=C21 B107638 [0,0,0,1,0,0|3,0,0]=4 765 B7R1.1 C#CC1=CC=CS1 E107746 [0,0,0,0,1,0|2,0,1]=4 766 B7R1.1 C#CC1=CC=NN1 E478860 [0,0,0,0,1,0|2,0,1]=4 767 B7R1.1 C#CC1=CNN=C1 E176824 [0,0,0,0,1,0|2,0,1]=4 768 B7R1.1 C#CC1=CSC=C1 E102747 [0,0,0,0,1,0|2,0,1]=4 769 B7R1.1 C#CC1=CSC=N1 E586383 [0,0,0,0,1,0|2,0,1]=4 770 B7R1.1 C1=C(C=NN1)C#N H138654 [0,0,0,0,1,0|3,0,0]=4 771 B7R1.1 C1=C(C=NN1)C=O H172485 [0,0,0,0,1,0|3,0,0]=4 772 B7R1.1 C1=C(C=NN1)C=O H176240 [0,0,0,0,1,0|3,0,0]=4 773 B7R1.1 C1=C(C=NN1)CO H175899 [0,0,0,0,1,0|3,0,0]=4 774 B7R1.1 C1=C(N=CO1)C=O O159993 [0,0,0,0,1,0|3,0,0]=4 775 B7R1.1 C1=C(N=CS1)C=O T135085 [0,0,0,0,1,0|3,0,0]=4 776 B7R1.1 C1=C(N=CS1)CCl C137365 [0,0,0,0,1,0|3,0,0]=4 777 B7R1.1 C1=C(NC=N1)C#N H185287 [0,0,0,0,1,0|2,0,1]=4 778 B7R1.1 C1=C(NC=N1)C=O I124241 [0,0,0,0,1,0|2,0,1]=4 779 B7R1.1 C1=C(NC=N1)CO H113059 [0,0,0,0,1,0|2,0,1]=4 780 B7R1.1 C1=C(NC=N1)CO I137052 [0,0,0,0,1,0|2,0,1]=4 781 B7R1.1 C1=C(NN=C1)C#N H193019 [0,0,0,0,1,0|3,0,0]=4 782 B7R1.1 C1=C(NN=C1)C=O P140216 [0,0,0,0,1,0|3,0,0]=4 783 B7R1.1 C1=C(NN=C1)CN P115816 [0,0,0,0,1,0|3,0,0]=4 784 B7R1.1 C1=C(SC=N1)C=O W132585 [0,0,0,0,1,0|3,0,0]=4 785 B7R1.1 C1=C(SC=N1)CCl C586959 [0,0,0,0,1,0|3,0,0]=4 786 B7R1.1 C1=C(SC=N1)CN T302352 [0,0,0,0,1,0|3,0,0]=4 787 B7R1.1 C1=C(SC=N1)CO T119309 [0,0,0,0,1,0|3,0,0]=4 788 B7R1.1 C1=CC(=C[CH]1)C#N C302322 [0,0,0,0,1,0|3,0,0]=4 789 B7R1.1 C1=CN(N=C1)CO H189712 [0,0,0,0,1,0|3,0,0]=4 790 B7R1.1 C1=CN=C(N1)CN A168767 [0,0,0,0,1,0|2,0,1]=4 791 B7R1.1 C1=CNC(=C1)C#N H134165 [0,0,0,0,1,0|2,0,1]=4 792 B7R1.1 C1=CNC(=C1)C=O P123130 [0,0,0,0,1,0|2,0,1]=4 793 B7R1.1 C1=COC(=C1)C#N F139092 [0,0,0,0,1,0|3,0,0]=4 794 B7R1.1 C1=COC(=C1)C=O F100546 [0,0,0,0,1,0|3,0,0]=4 795 B7R1.1 C1=COC(=C1)C=O F100547 [0,0,0,0,1,0|3,0,0]=4 796 B7R1.1 C1=COC(=C1)C=O F100548 [0,0,0,0,1,0|3,0,0]=4 797 B7R1.1 C1=COC(=C1)C=O F336820 [0,0,0,0,1,0|3,0,0]=4 798 B7R1.1 C1=COC(=C1)CN F111778 [0,0,0,0,1,0|3,0,0]=4 799 B7R1.1 C1=COC(=C1)CN F493732 [0,0,0,0,1,0|3,0,0]=4 800 B7R1.1 C1=COC(=C1)CO F110603 [0,0,0,0,1,0|3,0,0]=4 801 B7R1.1 C1=COC(=C1)CO F110604 [0,0,0,0,1,0|3,0,0]=4 802 B7R1.1 C1=COC(=C1)CS F102900 [0,0,0,0,1,0|3,0,0]=4 803 B7R1.1 C1=COC=C1C#N F469046 [0,0,0,0,1,0|3,0,0]=4 804 B7R1.1 C1=COC=C1C=O F122652 [0,0,0,0,1,0|3,0,0]=4 805 B7R1.1 C1=COC=C1CO F122642 [0,0,0,0,1,0|3,0,0]=4 806 B7R1.1 C1=CSC(=C1)C#N C153351 [0,0,0,0,1,0|3,0,0]=4 807 B7R1.1 C1=CSC(=C1)C=O T107122 [0,0,0,0,1,0|3,0,0]=4 808 B7R1.1 C1=CSC(=C1)CN T107120 [0,0,0,0,1,0|3,0,0]=4 809 B7R1.1 C1=CSC(=C1)CO T162809 [0,0,0,0,1,0|3,0,0]=4 810 B7R1.1 C1=CSC(=C1)CS T134394 [0,0,0,0,1,0|3,0,0]=4 811 B7R1.1 C1=CSC(=N1)C=O T107968 [0,0,0,0,1,0|3,0,0]=4 812 B7R1.1 C1=CSC(=N1)CO H157271 [0,0,0,0,1,0|3,0,0]=4 813 B7R1.1 C1=CSC=C1C#N C153346 [0,0,0,0,1,0|3,0,0]=4 814 B7R1.1 C1=CSC=C1C=O T115194 [0,0,0,0,1,0|3,0,0]=4 815 B7R1.1 C1=CSC=C1CBr B192902 [0,0,0,0,1,0|3,0,0]=4 816 B7R1.1 C1=CSC=C1CN T123094 [0,0,0,0,1,0|3,0,0]=4 817 B7R1.1 C1=CSC=C1CN T189819 [0,0,0,0,1,0|3,0,0]=4 818 B7R1.1 C1=CSC=C1CO T115329 [0,0,0,0,1,0|3,0,0]=4 819 B7R1.1 C1=NN(C=N1)CO H405086 [0,0,0,0,1,0|3,0,0]=4 820 B7R1.1 C1=NNC(=N1)C#N C193003 [0,0,0,0,1,0|3,0,0]=4 821 B7R1.1 C1=NNN=C1CN H332069 [0,0,0,0,1,0|3,0,0]=4 822 B7R1.1 C=CC1=CC=CS1 V305289 [0,0,0,0,1,0|2,0,1]=4 823 B7R1.1 C=CN1C=CN=C1 V109377 [0,0,0,0,1,0|2,0,1]=4 824 B7R1.1 CCC1=CC=CN1 E156214 [0,0,0,0,1,0|1,0,1]=3 825 B7R1.1 CCC1=CC=CO1 E102538 [0,0,0,0,1,0|2,0,0]=3 826 B7R1.1 CCC1=CC=CO1 E141264 [0,0,0,0,1,0|2,0,0]=3 827 B7R1.1 CCC1=CC=CS1 E101589 [0,0,0,0,1,0|2,0,0]=3 828 B7R1.1 CCC1=CC=C[CH-]1 D166828 [0,0,0,0,1,0|2,0,0]=3 829 B7R1.1 CCC1=CN=CN1 E156331 [0,0,0,0,1,0|1,0,1]=3 830 B7R1.1 CCC1=CNN=C1 E167848 [0,0,0,0,1,0|2,0,0]=3 831 B7R1.1 CCC1=CSC=C1 E156073 [0,0,0,0,1,0|2,0,0]=3 832 B7R1.1 CCC1=NC=CN1 E137989 [0,0,0,0,1,0|1,0,1]=3 833 B7R1.1 CCC1=[C-]CC=C1 B294778 [0,0,0,0,1,0|2,0,1]=4 834 B7R1.1 CCN1C=CC=C1 E156213 [0,0,0,0,1,0|3,0,0]=4 835 B7R1.1 CCN1C=CC=N1 E156393 [0,0,0,0,1,0|2,0,0]=3 836 B7R1.1 CCN1C=CN=C1 E139207 [0,0,0,0,1,0|2,0,0]=3 837 B7R1.1 CCN1C=NC=N1 E587605 [0,0,0,0,1,0|2,0,0]=3 838 B7R1.1 COC1=CC=CO1 M158540 [0,0,0,0,1,0|1,1,0]=3 839 B7R1.1 COC1=CC=CS1 M103170 [0,0,0,0,1,0|1,1,0]=3 840 B7R1.1 COC1=CC=NN1 M588136 [0,0,0,0,1,0|1,1,0]=3 841 B7R1.1 COC1=CSC=C1 M103169 [0,0,0,0,1,0|1,1,0]=3 842 B7R1.1 COC1=NC=CS1 M158486 [0,0,0,0,1,0|1,1,0]=3 843 B7R1.1 CSC1=CC=CS1 M123048 [0,0,0,0,1,0|1,0,0]=2 844 B7R1.1 CSC1=NC=CS1 M158485 [0,0,0,0,1,0|1,0,0]=2 845 B7R1.1 CSC1=NCCN1 M135977 [0,0,0,0,1,0|0,0,3]=4 846 B7R1.1 CSC1=NCCS1 M123595 [0,0,0,0,1,0|1,0,2]=4 847 B6R0.6 CC=CC=CC=O H156882 [1,0,1,0,0,0|2,0,0]=4 848 B6R1.1 C1=CC=CC=C1 B100912 [2,0,0,0,0,0|2,0,0]=4 849 B6R1.1 C1=CC=CC=C1 B100913 [2,0,0,0,0,0|2,0,0]=4 850 B6R1.1 C1=CC=CC=C1 B100914 [2,0,0,0,0,0|2,0,0]=4 851 B6R1.1 C1=CC=CC=C1 B100918 [2,0,0,0,0,0|2,0,0]=4 852 B6R1.1 C1=CC=CC=C1 B116185 [2,0,0,0,0,0|2,0,0]=4 853 B6R1.1 C1=CC=CC=C1 B116186 [2,0,0,0,0,0|2,0,0]=4 854 B6R1.1 C1=CC=CC=C1 B116187 [2,0,0,0,0,0|2,0,0]=4 855 B6R1.1 C1=CC=CC=C1 B116189 [2,0,0,0,0,0|2,0,0]=4 856 B6R1.1 C1=CC=CC=C1 B116191 [2,0,0,0,0,0|2,0,0]=4 857 B6R1.1 C1=CC=CC=C1 B116193 [2,0,0,0,0,0|2,0,0]=4 858 B6R1.1 C1=CC=CC=C1 B116194 [2,0,0,0,0,0|2,0,0]=4 859 B6R1.1 C1=CC=CC=C1 B117361 [2,0,0,0,0,0|2,0,0]=4 860 B6R1.1 C1=CC=CC=C1 B117363 [2,0,0,0,0,0|2,0,0]=4 861 B6R1.1 C1=CC=CC=C1 B117572 [2,0,0,0,0,0|2,0,0]=4 862 B6R1.1 C1=CC=CC=C1 B118501 [2,0,0,0,0,0|2,0,0]=4 863 B6R1.1 C1=CC=CC=C1 B119755 [2,0,0,0,0,0|2,0,0]=4 864 B6R1.1 C1=CC=CC=C1 B282385 [2,0,0,0,0,0|2,0,0]=4 865 B6R1.1 C1=CC=CC=C1 B464636 [2,0,0,0,0,0|2,0,0]=4 866 B6R1.1 C1=CC=NC=C1 C129172 [2,0,0,0,0,0|1,0,0]=3 867 B6R1.1 C1=CC=NC=C1 C339425 [2,0,0,0,0,0|1,0,0]=3 868 B6R1.1 C1=CC=NC=C1 D351854 [2,0,0,0,0,0|1,0,0]=3 869 B6R1.1 C1=CC=NC=C1 H107606 [2,0,0,0,0,0|1,0,0]=3 870 B6R1.1 C1=CC=NC=C1 P105950 [2,0,0,0,0,0|1,0,0]=3 871 B6R1.1 C1=CC=NC=C1 P111510 [2,0,0,0,0,0|1,0,0]=3 872 B6R1.1 C1=CC=NC=C1 P111511 [2,0,0,0,0,0|1,0,0]=3 873 B6R1.1 C1=CC=NC=C1 P111513 [2,0,0,0,0,0|1,0,0]=3 874 B6R1.1 C1=CC=NC=C1 P111515 [2,0,0,0,0,0|1,0,0]=3 875 B6R1.1 C1=CC=NC=C1 P111516 [2,0,0,0,0,0|1,0,0]=3 876 B6R1.1 C1=CC=NC=C1 P113720 [2,0,0,0,0,0|1,0,0]=3 877 B6R1.1 C1=CC=NC=C1 P113721 [2,0,0,0,0,0|1,0,0]=3 878 B6R1.1 C1=CC=NC=C1 P124051 [2,0,0,0,0,0|1,0,0]=3 879 B6R1.1 C1=CC=NC=C1 P140017 [2,0,0,0,0,0|1,0,0]=3 880 B6R1.1 C1=CC=NC=C1 P141169 [2,0,0,0,0,0|1,0,0]=3 881 B6R1.1 C1=CC=NC=C1 P160647 [2,0,0,0,0,0|1,0,0]=3 882 B6R1.1 C1=CC=NC=C1 P189108 [2,0,0,0,0,0|1,0,0]=3 883 B6R1.1 C1=CC=NC=C1 P333829 [2,0,0,0,0,0|1,0,0]=3 884 B6R1.1 C1=CC=NC=C1 P404936 [2,0,0,0,0,0|1,0,0]=3 885 B6R1.1 C1=CC=NC=C1 P431465 [2,0,0,0,0,0|1,0,0]=3 886 B6R1.1 C1=CC=NC=C1 P598447 [2,0,0,0,0,0|1,0,0]=3 887 B6R1.1 C1=CC=NC=C1 P598617 [2,0,0,0,0,0|1,0,0]=3 888 B6R1.1 C1=CC=NC=C1 P638603 [2,0,0,0,0,0|1,0,0]=3 889 B6R1.1 C1=CC=NC=C1 S106808 [2,0,0,0,0,0|1,0,0]=3 890 B6R1.1 C1=CC=NN=C1 P137565 [2,0,0,0,0,0|2,0,0]=4 891 B6R1.1 C1=CC=[C-]C=C1 D282549 [2,0,0,0,0,0|2,0,0]=4 892 B6R1.1 C1=CC=[C-]C=C1 P344682 [2,0,0,0,0,0|2,0,0]=4 893 B6R1.1 C1=CC=[NH+]C=C1 P124192 [2,0,0,0,0,0|1,0,1]=4 894 B6R1.1 C1=CC=[NH+]C=C1 P494032 [2,0,0,0,0,0|1,0,1]=4 895 B6R1.1 C1=CN=CC=N1 P109613 [2,0,0,0,0,0|0,0,0]=2 896 B6R1.1 C1=CN=CC=N1 P109614 [2,0,0,0,0,0|0,0,0]=2 897 B6R1.1 C1=CN=CC=N1 P346218 [2,0,0,0,0,0|0,0,0]=2 898 B6R1.1 C1=CN=CN=C1 P107069 [2,0,0,0,0,0|2,0,0]=4 899 B6R1.1 C1=CN=CN=C1 P107070 [2,0,0,0,0,0|2,0,0]=4 900 B6R1.1 C1=NN=CN=N1 T588596 [2,0,0,0,0,0|2,0,0]=4 901 B6R1.1 C1C=CCC=C1 C109678 [2,0,0,0,0,0|2,0,0]=4 902 B8R1.3 C1=C(N=CC(=N1)Br)Br D154926 [1,1,0,0,0,0|1,0,0]=3 903 B8R1.3 C1=C(N=CC(=N1)Br)N A115828 [1,1,0,0,0,0|1,0,0]=3 904 B8R1.3 C1=C(N=CC(=N1)Cl)Cl D175458 [1,1,0,0,0,0|1,0,0]=3 905 B8R1.3 C1=C(N=CC(=N1)Cl)N A122400 [1,1,0,0,0,0|1,0,0]=3 906 B8R1.3 C1=C(N=CC(=N1)I)Br B176964 [1,1,0,0,0,0|1,0,0]=3 907 B8R1.3 C1=C(N=CC(=N1)I)Cl C179057 [1,1,0,0,0,0|1,0,0]=3 908 B8R1.3 C1=C(N=CC(=O)N1)Br B115827 [1,1,0,0,0,0|0,1,1]=4 909 B8R1.3 C1=CC(=CC=C1F)S F101761 [1,1,0,0,0,0|2,0,0]=4 910 B8R1.3 C1=CC(=CC=C1N)S A107494 [1,1,0,0,0,0|2,0,0]=4 911 B8R1.3 C1=CC(=CC=C1N)S A163041 [1,1,0,0,0,0|2,0,0]=4 912 B8R1.3 C1=CC(=CC=C1O)S M101786 [1,1,0,0,0,0|2,0,0]=4 913 B8R1.3 C1=CC(=CC=C1S)Br B101773 [1,1,0,0,0,0|2,0,0]=4 914 B8R1.3 C1=CC(=CC=C1S)Cl C101766 [1,1,0,0,0,0|2,0,0]=4 915 B8R1.3 C1=CC(=CC=C1S)S B151928 [1,1,0,0,0,0|2,0,0]=4 916 B8R1.3 C1=CC(=NC=C1Br)Br D101561 [1,1,0,0,0,0|2,0,0]=4 917 B8R1.3 C1=CC(=NC=C1Br)Cl B123411 [1,1,0,0,0,0|2,0,0]=4 918 B8R1.3 C1=CC(=NC=C1Br)F B110259 [1,1,0,0,0,0|2,0,0]=4 919 B8R1.3 C1=CC(=NC=C1Br)I B120792 [1,1,0,0,0,0|2,0,0]=4 920 B8R1.3 C1=CC(=NC=C1Br)N A101197 [1,1,0,0,0,0|2,0,0]=4 921 B8R1.3 C1=CC(=NC=C1Cl)Br B102594 [1,1,0,0,0,0|2,0,0]=4 922 B8R1.3 C1=CC(=NC=C1Cl)Cl D120567 [1,1,0,0,0,0|2,0,0]=4 923 B8R1.3 C1=CC(=NC=C1Cl)F C110260 [1,1,0,0,0,0|2,0,0]=4 924 B8R1.3 C1=CC(=NC=C1Cl)I C168964 [1,1,0,0,0,0|2,0,0]=4 925 B8R1.3 C1=CC(=NC=C1Cl)N A107183 [1,1,0,0,0,0|2,0,0]=4 926 B8R1.3 C1=CC(=NC=C1F)Br B111195 [1,1,0,0,0,0|2,0,0]=4 927 B8R1.3 C1=CC(=NC=C1F)Cl C102598 [1,1,0,0,0,0|2,0,0]=4 928 B8R1.3 C1=CC(=NC=C1F)F D124342 [1,1,0,0,0,0|2,0,0]=4 929 B8R1.3 C1=CC(=NC=C1F)I F181837 [1,1,0,0,0,0|2,0,0]=4 930 B8R1.3 C1=CC(=NC=C1F)N A101607 [1,1,0,0,0,0|2,0,0]=4 931 B8R1.3 C1=CC(=NC=C1I)Br B122970 [1,1,0,0,0,0|2,0,0]=4 932 B8R1.3 C1=CC(=NC=C1I)Cl C119410 [1,1,0,0,0,0|2,0,0]=4 933 B8R1.3 C1=CC(=NC=C1I)F F119657 [1,1,0,0,0,0|2,0,0]=4 934 B8R1.3 C1=CC(=NC=C1I)I D166168 [1,1,0,0,0,0|2,0,0]=4 935 B8R1.3 C1=CC(=NC=C1I)N A129106 [1,1,0,0,0,0|2,0,0]=4 936 B8R1.3 C1=CC(=NC=C1N)Br A101199 [1,1,0,0,0,0|2,0,0]=4 937 B8R1.3 C1=CC(=NC=C1N)Cl A124240 [1,1,0,0,0,0|2,0,0]=4 938 B8R1.3 C1=CC(=NC=C1N)F A119632 [1,1,0,0,0,0|2,0,0]=4 939 B8R1.3 C1=CC(=NC=C1N)I A588630 [1,1,0,0,0,0|2,0,0]=4 940 B8R1.3 C1=CC(=NC=C1N)N D134973 [1,1,0,0,0,0|2,0,0]=4 941 B8R1.3 C1=CC(=NC=C1N)N D135606 [1,1,0,0,0,0|2,0,0]=4 942 B8R1.3 C1=CC(=NC=C1O)Br B102604 [1,1,0,0,0,0|1,1,0]=4 943 B8R1.3 C1=CC(=NC=C1O)Br B399634 [1,1,0,0,0,0|1,1,0]=4 944 B8R1.3 C1=CC(=NC=C1O)Cl C102603 [1,1,0,0,0,0|1,1,0]=4 945 B8R1.3 C1=CC(=NC=C1O)F F102601 [1,1,0,0,0,0|1,1,0]=4 946 B8R1.3 C1=CC(=NC=C1O)N A185200 [1,1,0,0,0,0|1,1,0]=4 947 B8R1.3 CC1=CC=C(C=C1)Br B108900 [1,1,0,0,0,0|2,0,0]=4 948 B8R1.3 CC1=CC=C(C=C1)C X103333 [1,1,0,0,0,0|2,0,0]=4 949 B8R1.3 CC1=CC=C(C=C1)C X103334 [1,1,0,0,0,0|2,0,0]=4 950 B8R1.3 CC1=CC=C(C=C1)C X103336 [1,1,0,0,0,0|2,0,0]=4 951 B8R1.3 CC1=CC=C(C=C1)C X103338 [1,1,0,0,0,0|2,0,0]=4 952 B8R1.3 CC1=CC=C(C=C1)C X103339 [1,1,0,0,0,0|2,0,0]=4 953 B8R1.3 CC1=CC=C(C=C1)C X103342 [1,1,0,0,0,0|2,0,0]=4 954 B8R1.3 CC1=CC=C(C=C1)C X119715 [1,1,0,0,0,0|2,0,0]=4 955 B8R1.3 CC1=CC=C(C=C1)C X128149 [1,1,0,0,0,0|2,0,0]=4 956 B8R1.3 CC1=CC=C(C=C1)Cl C104628 [1,1,0,0,0,0|2,0,0]=4 957 B8R1.3 CC1=CC=C(C=C1)Cl C104629 [1,1,0,0,0,0|2,0,0]=4 958 B8R1.3 CC1=CC=C(C=C1)Cl C113011 [1,1,0,0,0,0|2,0,0]=4 959 B8R1.3 CC1=CC=C(C=C1)Cl C113012 [1,1,0,0,0,0|2,0,0]=4 960 B8R1.3 CC1=CC=C(C=C1)Cl C128161 [1,1,0,0,0,0|2,0,0]=4 961 B8R1.3 CC1=CC=C(C=C1)F F107110 [1,1,0,0,0,0|2,0,0]=4 962 B8R1.3 CC1=CC=C(C=C1)I I118363 [1,1,0,0,0,0|2,0,0]=4 963 B8R1.3 CC1=CC=C(C=C1)N T108450 [1,1,0,0,0,0|2,0,0]=4 964 B8R1.3 CC1=CC=C(C=C1)N T108451 [1,1,0,0,0,0|2,0,0]=4 965 B8R1.3 CC1=CC=C(C=C1)N T111232 [1,1,0,0,0,0|2,0,0]=4 966 B8R1.3 CC1=CC=C(C=C1)O C108248 [1,1,0,0,0,0|2,0,0]=4 967 B8R1.3 CC1=CC=C(C=C1)O C108249 [1,1,0,0,0,0|2,0,0]=4 968 B8R1.3 CC1=CC=C(C=C1)O C108250 [1,1,0,0,0,0|2,0,0]=4 969 B8R1.3 CC1=CC=C(C=C1)O C108251 [1,1,0,0,0,0|2,0,0]=4 970 B8R1.3 CC1=CC=C(C=C1)O C108252 [1,1,0,0,0,0|2,0,0]=4 971 B8R1.3 CC1=CC=C(C=C1)O C108640 [1,1,0,0,0,0|2,0,0]=4 972 B8R1.3 CC1=CC=C(C=C1)O C108641 [1,1,0,0,0,0|2,0,0]=4 973 B8R1.3 CC1=CC=C(C=C1)O C128202 [1,1,0,0,0,0|2,0,0]=4 974 B8R1.3 CC1=CC=C(C=C1)S T109389 [1,1,0,0,0,0|2,0,0]=4 975 B8R1.3 CC1=CN=C(C=C1)Br B120720 [1,1,0,0,0,0|1,0,0]=3 976 B8R1.3 CC1=CN=C(C=C1)C L111803 [1,1,0,0,0,0|1,0,0]=3 977 B8R1.3 CC1=CN=C(C=C1)Cl C122971 [1,1,0,0,0,0|1,0,0]=3 978 B8R1.3 CC1=CN=C(C=C1)F F120713 [1,1,0,0,0,0|1,0,0]=3 979 B8R1.3 CC1=CN=C(C=C1)N A107505 [1,1,0,0,0,0|1,0,0]=3 980 B8R1.3 CC1=CN=C(C=N1)C D106345 [1,1,0,0,0,0|0,0,0]=2 981 B8R1.3 CC1=CN=C(C=N1)Cl C110233 [1,1,0,0,0,0|0,0,0]=2 982 B8R1.3 CC1=CN=C(C=N1)N M133886 [1,1,0,0,0,0|0,0,0]=2 983 B8R1.3 CC1=CN=C(N=C1)Cl C153537 [1,1,0,0,0,0|2,0,0]=4 984 B8R1.3 CC1=CNC(=O)C=C1 H107715 [1,1,0,0,0,0|1,0,1]=4 985 B8R1.3 CC1=CNC(=O)C=N1 M191984 [1,1,0,0,0,0|0,0,1]=3 986 B8R1.3 CC1=CNC(=S)C=C1 M405751 [1,1,0,0,0,0|1,0,1]=4 987 B8R1.3 CC1=NC=C(C=C1)Br B123445 [1,1,0,0,0,0|1,0,0]=3 988 B8R1.3 CC1=NC=C(C=C1)Cl C186235 [1,1,0,0,0,0|1,0,0]=3 989 B8R1.3 CC1=NC=C(C=C1)F F489688 [1,1,0,0,0,0|1,0,0]=3 990 B8R1.3 CC1=NC=C(C=C1)N A103049 [1,1,0,0,0,0|1,0,0]=3 991 B8R1.3 CC1=NC=C(C=C1)O H156935 [1,1,0,0,0,0|1,0,0]=3 992 B8R1.3 CC1=NC=C(C=N1)Br B152665 [1,1,0,0,0,0|2,0,0]=4 993 B8R1.3 CC1=NC=C(C=N1)N M176382 [1,1,0,0,0,0|2,0,0]=4 994 B8R1.3 CC1=NC=C(C=N1)O M588838 [1,1,0,0,0,0|2,0,0]=4 995 B8R1.3 CC1=NN=C(C=C1)Br B177071 [1,1,0,0,0,0|2,0,0]=4 996 B8R1.3 CC1=NN=C(C=C1)C D587537 [1,1,0,0,0,0|2,0,0]=4 997 B8R1.3 CC1=NN=C(C=C1)Cl C122392 [1,1,0,0,0,0|2,0,0]=4 998 B8R1.3 CC1=NN=C(N=N1)C D404324 [1,1,0,0,0,0|2,0,0]=4 999 B8R1.3 CC1=NNC(=O)C=C1 M157846 [1,1,0,0,0,0|2,0,0]=4 1000 B8R1.3 CC1=[C-]C=C(C=C1)F F579402 [1,1,0,0,0,0|2,0,0]=4 1001 B8R1.4 C1=C(C=NC=C1Br)Br D115760 [1,1,0,0,0,0|2,0,0]=4 1002 B8R1.4 C1=C(C=NC=C1Br)Cl B107720 [1,1,0,0,0,0|2,0,0]=4 1003 B8R1.4 C1=C(C=NC=C1Br)F B102596 [1,1,0,0,0,0|2,0,0]=4 1004 B8R1.4 C1=C(C=NC=C1Br)N A121802 [1,1,0,0,0,0|2,0,0]=4 1005 B8R1.4 C1=C(C=NC=C1Br)O B107719 [1,1,0,0,0,0|1,1,0]=4 1006 B8R1.4 C1=C(C=NC=C1Cl)Cl D119975 [1,1,0,0,0,0|2,0,0]=4 1007 B8R1.4 C1=C(C=NC=C1Cl)F C184888 [1,1,0,0,0,0|2,0,0]=4 1008 B8R1.4 C1=C(C=NC=C1Cl)N A124231 [1,1,0,0,0,0|2,0,0]=4 1009 B8R1.4 C1=C(C=NC=C1Cl)O C102606 [1,1,0,0,0,0|1,1,0]=4 1010 B8R1.4 C1=C(C=NC=C1F)F D186227 [1,1,0,0,0,0|2,0,0]=4 1011 B8R1.4 C1=C(C=NC=C1F)N A119622 [1,1,0,0,0,0|2,0,0]=4 1012 B8R1.4 C1=C(C=NC=C1F)O F102605 [1,1,0,0,0,0|1,1,0]=4 1013 B8R1.4 C1=C(C=NC=C1I)Br W132849 [1,1,0,0,0,0|2,0,0]=4 1014 B8R1.4 C1=C(C=NC=C1I)Cl C135299 [1,1,0,0,0,0|2,0,0]=4 1015 B8R1.4 C1=C(C=NC=C1I)F F186443 [1,1,0,0,0,0|2,0,0]=4 1016 B8R1.4 C1=C(C=NC=C1N)N P193393 [1,1,0,0,0,0|2,0,0]=4 1017 B8R1.4 C1=C(C=NC=C1O)O P588846 [1,1,0,0,0,0|1,1,0]=4 1018 B8R1.4 C1=C(N=C(C=N1)Br)Br D138534 [1,1,0,0,0,0|1,0,0]=3 1019 B8R1.4 C1=C(N=C(C=N1)Br)Cl B188248 [1,1,0,0,0,0|1,0,0]=3 1020 B8R1.4 C1=C(N=C(C=N1)Cl)Cl D123438 [1,1,0,0,0,0|1,0,0]=3 1021 B8R1.4 C1=C(N=C(C=N1)Cl)N A123436 [1,1,0,0,0,0|1,0,0]=3 1022 B8R1.4 C1=C(N=C(C=N1)I)I D185351 [1,1,0,0,0,0|1,0,0]=3 1023 B8R1.4 C1=C(NC(=O)C=N1)Cl C170573 [1,1,0,0,0,0|0,1,1]=4 1024 B8R1.4 C1=CC(=CC(=C1)Br)S B106987 [1,1,0,0,0,0|2,0,0]=4 1025 B8R1.4 C1=CC(=CC(=C1)Cl)S C101765 [1,1,0,0,0,0|2,0,0]=4 1026 B8R1.4 C1=CC(=CC(=C1)S)F F101760 [1,1,0,0,0,0|2,0,0]=4 1027 B8R1.4 C1=CC(=CC(=C1)S)N A107495 [1,1,0,0,0,0|2,0,0]=4 1028 B8R1.4 C1=CC(=CC(=C1)S)O M101785 [1,1,0,0,0,0|2,0,0]=4 1029 B8R1.4 C1=CC(=CC(=C1)S)S B152749 [1,1,0,0,0,0|2,0,0]=4 1030 B8R1.4 C1=CC(=NC(=C1)Br)Br D101563 [1,1,0,0,0,0|2,0,0]=4 1031 B8R1.4 C1=CC(=NC(=C1)Br)Cl B136352 [1,1,0,0,0,0|2,0,0]=4 1032 B8R1.4 C1=CC(=NC(=C1)Br)F B119637 [1,1,0,0,0,0|2,0,0]=4 1033 B8R1.4 C1=CC(=NC(=C1)Br)N A119408 [1,1,0,0,0,0|2,0,0]=4 1034 B8R1.4 C1=CC(=NC(=C1)Cl)Cl D105924 [1,1,0,0,0,0|2,0,0]=4 1035 B8R1.4 C1=CC(=NC(=C1)Cl)F C182701 [1,1,0,0,0,0|2,0,0]=4 1036 B8R1.4 C1=CC(=NC(=C1)Cl)N A101565 [1,1,0,0,0,0|2,0,0]=4 1037 B8R1.4 C1=CC(=NC(=C1)F)F D124337 [1,1,0,0,0,0|2,0,0]=4 1038 B8R1.4 C1=CC(=NC(=C1)F)N F132264 [1,1,0,0,0,0|2,0,0]=4 1039 B8R1.4 C1=CC(=NC(=C1)I)Br B120455 [1,1,0,0,0,0|2,0,0]=4 1040 B8R1.4 C1=CC(=NC(=C1)I)Cl C169092 [1,1,0,0,0,0|2,0,0]=4 1041 B8R1.4 C1=CC(=NC(=C1)I)N I195545 [1,1,0,0,0,0|2,0,0]=4 1042 B8R1.4 C1=CC(=NC(=C1)N)N D106446 [1,1,0,0,0,0|2,0,0]=4 1043 B8R1.4 C1=CN=C(C=C1Br)Br D124330 [1,1,0,0,0,0|2,0,0]=4 1044 B8R1.4 C1=CN=C(C=C1Br)Cl B102595 [1,1,0,0,0,0|2,0,0]=4 1045 B8R1.4 C1=CN=C(C=C1Br)F B120712 [1,1,0,0,0,0|2,0,0]=4 1046 B8R1.4 C1=CN=C(C=C1Br)N A123368 [1,1,0,0,0,0|2,0,0]=4 1047 B8R1.4 C1=CN=C(C=C1Cl)Br B120784 [1,1,0,0,0,0|2,0,0]=4 1048 B8R1.4 C1=CN=C(C=C1Cl)Cl D154414 [1,1,0,0,0,0|2,0,0]=4 1049 B8R1.4 C1=CN=C(C=C1Cl)F C183922 [1,1,0,0,0,0|2,0,0]=4 1050 B8R1.4 C1=CN=C(C=C1Cl)I C192180 [1,1,0,0,0,0|2,0,0]=4 1051 B8R1.4 C1=CN=C(C=C1Cl)N A107902 [1,1,0,0,0,0|2,0,0]=4 1052 B8R1.4 C1=CN=C(C=C1F)Br B119636 [1,1,0,0,0,0|2,0,0]=4 1053 B8R1.4 C1=CN=C(C=C1F)Cl C119640 [1,1,0,0,0,0|2,0,0]=4 1054 B8R1.4 C1=CN=C(C=C1F)F D124339 [1,1,0,0,0,0|2,0,0]=4 1055 B8R1.4 C1=CN=C(C=C1F)N F178407 [1,1,0,0,0,0|2,0,0]=4 1056 B8R1.4 C1=CN=C(C=C1I)Br B120725 [1,1,0,0,0,0|2,0,0]=4 1057 B8R1.4 C1=CN=C(C=C1I)Cl C120719 [1,1,0,0,0,0|2,0,0]=4 1058 B8R1.4 C1=CN=C(C=C1I)F F120711 [1,1,0,0,0,0|2,0,0]=4 1059 B8R1.4 C1=CN=C(C=C1I)N I176775 [1,1,0,0,0,0|2,0,0]=4 1060 B8R1.4 C1=CN=C(C=C1N)Br A103014 [1,1,0,0,0,0|2,0,0]=4 1061 B8R1.4 C1=CN=C(C=C1N)Cl A107152 [1,1,0,0,0,0|2,0,0]=4 1062 B8R1.4 C1=CN=C(C=C1N)F A137501 [1,1,0,0,0,0|2,0,0]=4 1063 B8R1.4 CC1=CC(=CC=C1)Br B104640 [1,1,0,0,0,0|2,0,0]=4 1064 B8R1.4 CC1=CC(=CC=C1)C X103345 [1,1,0,0,0,0|2,0,0]=4 1065 B8R1.4 CC1=CC(=CC=C1)C X103348 [1,1,0,0,0,0|2,0,0]=4 1066 B8R1.4 CC1=CC(=CC=C1)C X103350 [1,1,0,0,0,0|2,0,0]=4 1067 B8R1.4 CC1=CC(=CC=C1)C X119707 [1,1,0,0,0,0|2,0,0]=4 1068 B8R1.4 CC1=CC(=CC=C1)Cl C104627 [1,1,0,0,0,0|2,0,0]=4 1069 B8R1.4 CC1=CC(=CC=C1)F F123650 [1,1,0,0,0,0|2,0,0]=4 1070 B8R1.4 CC1=CC(=CC=C1)I I102000 [1,1,0,0,0,0|2,0,0]=4 1071 B8R1.4 CC1=CC(=CC=C1)N M158301 [1,1,0,0,0,0|2,0,0]=4 1072 B8R1.4 CC1=CC(=CC=C1)N T110548 [1,1,0,0,0,0|2,0,0]=4 1073 B8R1.4 CC1=CC(=CC=C1)N T110549 [1,1,0,0,0,0|2,0,0]=4 1074 B8R1.4 CC1=CC(=CC=C1)N T110550 [1,1,0,0,0,0|2,0,0]=4 1075 B8R1.4 CC1=CC(=CC=C1)O C108242 [1,1,0,0,0,0|2,0,0]=4 1076 B8R1.4 CC1=CC(=CC=C1)O C108243 [1,1,0,0,0,0|2,0,0]=4 1077 B8R1.4 CC1=CC(=CC=C1)O C108245 [1,1,0,0,0,0|2,0,0]=4 1078 B8R1.4 CC1=CC(=CC=C1)O C108246 [1,1,0,0,0,0|2,0,0]=4 1079 B8R1.4 CC1=CC(=CC=C1)O C108247 [1,1,0,0,0,0|2,0,0]=4 1080 B8R1.4 CC1=CC(=CC=C1)S M100575 [1,1,0,0,0,0|2,0,0]=4 1081 B8R1.4 CC1=CC(=CN=C1)Br B120789 [1,1,0,0,0,0|1,0,0]=3 1082 B8R1.4 CC1=CC(=CN=C1)C L106291 [1,1,0,0,0,0|1,0,0]=3 1083 B8R1.4 CC1=CC(=CN=C1)Cl C191816 [1,1,0,0,0,0|1,0,0]=3 1084 B8R1.4 CC1=CC(=CN=C1)F F184385 [1,1,0,0,0,0|1,0,0]=3 1085 B8R1.4 CC1=CC(=CN=C1)N A134931 [1,1,0,0,0,0|1,0,0]=3 1086 B8R1.4 CC1=CC(=CN=C1)O H129072 [1,1,0,0,0,0|1,0,0]=3 1087 B8R1.4 CC1=CC(=C[C-]=C1)C D140723 [1,1,0,0,0,0|2,0,0]=4 1088 B8R1.4 CC1=CC(=NC=C1)Br B115781 [1,1,0,0,0,0|2,0,0]=4 1089 B8R1.4 CC1=CC(=NC=C1)C L109206 [1,1,0,0,0,0|1,0,0]=3 1090 B8R1.4 CC1=CC(=NC=C1)Cl C119971 [1,1,0,0,0,0|2,0,0]=4 1091 B8R1.4 CC1=CC(=NC=C1)F F138875 [1,1,0,0,0,0|2,0,0]=4 1092 B8R1.4 CC1=CC(=NC=C1)N A107213 [1,1,0,0,0,0|2,0,0]=4 1093 B8R1.4 CC1=CC(=NC=C1)N A107214 [1,1,0,0,0,0|2,0,0]=4 1094 B8R1.4 CC1=CC(=NC=N1)C W132404 [1,1,0,0,0,0|2,0,0]=4 1095 B8R1.4 CC1=CC(=NN=C1)Cl C590591 [1,1,0,0,0,0|2,0,0]=4 1096 B8R1.4 CC1=CC(=O)NC=N1 H587427 [1,1,0,0,0,0|2,0,0]=4 1097 B8R1.4 CC1=CC(=O)NC=N1 W133669 [1,1,0,0,0,0|2,0,0]=4 1098 B8R1.4 CC1=CC=CC(=O)N1 H107721 [1,1,0,0,0,0|1,0,1]=4 1099 B8R1.4 CC1=CC=CC(=S)N1 M168093 [1,1,0,0,0,0|1,0,1]=4 1100 B8R1.4 CC1=CN=CC(=N1)Br B188210 [1,1,0,0,0,0|0,0,0]=2 1101 B8R1.4 CC1=CN=CC(=N1)C D154789 [1,1,0,0,0,0|0,0,0]=2 1102 B8R1.4 CC1=CN=CC(=N1)Cl C136298 [1,1,0,0,0,0|0,0,0]=2 1103 B8R1.4 CC1=CN=CC(=N1)N A185169 [1,1,0,0,0,0|0,0,0]=2 1104 B8R1.4 CC1=CN=CC(=O)N1 H111406 [1,1,0,0,0,0|0,0,1]=3 1105 B8R1.4 CC1=C[N+](=CC=C1)[O-] M124329 [1,1,0,0,0,0|1,0,1]=4 1106 B8R1.4 CC1=NC(=CC=C1)Br B101571 [1,1,0,0,0,0|1,0,0]=3 1107 B8R1.4 CC1=NC(=CC=C1)C L105811 [1,1,0,0,0,0|1,0,0]=3 1108 B8R1.4 CC1=NC(=CC=C1)C L105812 [1,1,0,0,0,0|1,0,0]=3 1109 B8R1.4 CC1=NC(=CC=C1)Cl C124344 [1,1,0,0,0,0|1,0,0]=3 1110 B8R1.4 CC1=NC(=CC=C1)F F119659 [1,1,0,0,0,0|1,0,0]=3 1111 B8R1.4 CC1=NC(=CC=C1)N A107178 [1,1,0,0,0,0|1,0,0]=3 1112 B8R1.4 CC1=NC(=NC=C1)Br B123490 [1,1,0,0,0,0|2,0,0]=4 1113 B8R1.4 CC1=NC(=NC=C1)Cl C120475 [1,1,0,0,0,0|2,0,0]=4 1114 B8R1.4 CC1=NC(=NC=C1)N A115152 [1,1,0,0,0,0|2,0,0]=4 1115 B8R1.4 CC1=NC=CC(=C1)Br B120727 [1,1,0,0,0,0|1,0,0]=3 1116 B8R1.4 CC1=NC=CC(=C1)Br B591103 [1,1,0,0,0,0|1,0,0]=3 1117 B8R1.4 CC1=NC=CC(=C1)Cl C133675 [1,1,0,0,0,0|1,0,0]=3 1118 B8R1.4 CC1=NC=CC(=C1)N A103053 [1,1,0,0,0,0|1,0,0]=3 1119 B8R1.4 CC1=NC=CC(=N1)Cl C153539 [1,1,0,0,0,0|2,0,0]=4 1120 B8R1.4 CC1=NC=CC(=N1)N M194871 [1,1,0,0,0,0|2,0,0]=4 1121 B8R1.4 CC1=NC=CC(=O)N1 M191883 [1,1,0,0,0,0|2,0,0]=4 1122 B8R1.5 C1=CC(=C(N=C1)Br)Br D138175 [1,1,0,0,0,0|2,0,0]=4 1123 B8R1.5 C1=CC(=C(N=C1)Br)Cl B139493 [1,1,0,0,0,0|2,0,0]=4 1124 B8R1.5 C1=CC(=C(N=C1)Br)F B119634 [1,1,0,0,0,0|2,0,0]=4 1125 B8R1.5 C1=CC(=C(N=C1)Br)I B120728 [1,1,0,0,0,0|2,0,0]=4 1126 B8R1.5 C1=CC(=C(N=C1)Br)N A151581 [1,1,0,0,0,0|2,0,0]=4 1127 B8R1.5 C1=CC(=C(N=C1)Br)O B110249 [1,1,0,0,0,0|1,1,0]=4 1128 B8R1.5 C1=CC(=C(N=C1)Cl)Br B102592 [1,1,0,0,0,0|2,0,0]=4 1129 B8R1.5 C1=CC(=C(N=C1)Cl)Cl D119974 [1,1,0,0,0,0|2,0,0]=4 1130 B8R1.5 C1=CC(=C(N=C1)Cl)F C102597 [1,1,0,0,0,0|2,0,0]=4 1131 B8R1.5 C1=CC(=C(N=C1)Cl)I C120717 [1,1,0,0,0,0|2,0,0]=4 1132 B8R1.5 C1=CC(=C(N=C1)Cl)N A151576 [1,1,0,0,0,0|2,0,0]=4 1133 B8R1.5 C1=CC(=C(N=C1)Cl)O C110320 [1,1,0,0,0,0|1,1,0]=4 1134 B8R1.5 C1=CC(=C(N=C1)F)Br B120726 [1,1,0,0,0,0|2,0,0]=4 1135 B8R1.5 C1=CC(=C(N=C1)F)Cl C119644 [1,1,0,0,0,0|2,0,0]=4 1136 B8R1.5 C1=CC(=C(N=C1)F)F D124348 [1,1,0,0,0,0|2,0,0]=4 1137 B8R1.5 C1=CC(=C(N=C1)F)I F120738 [1,1,0,0,0,0|2,0,0]=4 1138 B8R1.5 C1=CC(=C(N=C1)F)N A119619 [1,1,0,0,0,0|2,0,0]=4 1139 B8R1.5 C1=CC(=C(N=C1)F)O F102619 [1,1,0,0,0,0|1,1,0]=4 1140 B8R1.5 C1=CC(=C(N=C1)I)F F131983 [1,1,0,0,0,0|2,0,0]=4 1141 B8R1.5 C1=CC(=C(N=C1)I)O I119977 [1,1,0,0,0,0|1,1,0]=4 1142 B8R1.5 C1=CC(=C(N=C1)N)Br A167068 [1,1,0,0,0,0|2,0,0]=4 1143 B8R1.5 C1=CC(=C(N=C1)N)Cl A133692 [1,1,0,0,0,0|2,0,0]=4 1144 B8R1.5 C1=CC(=C(N=C1)N)F W133179 [1,1,0,0,0,0|2,0,0]=4 1145 B8R1.5 C1=CC(=C(N=C1)N)I A123901 [1,1,0,0,0,0|2,0,0]=4 1146 B8R1.5 C1=CC(=C(N=C1)N)N D103174 [1,1,0,0,0,0|2,0,0]=4 1147 B8R1.5 C1=CC(=C(N=C1)N)O A101241 [1,1,0,0,0,0|1,1,0]=4 1148 B8R1.5 C1=CC(=C(N=C1)N)O A493500 [1,1,0,0,0,0|1,1,0]=4 1149 B8R1.5 C1=CC=C(C(=C1)F)S F101759 [1,1,0,0,0,0|2,0,0]=4 1150 B8R1.5 C1=CC=C(C(=C1)N)S A107172 [1,1,0,0,0,0|2,0,0]=4 1151 B8R1.5 C1=CC=C(C(=C1)N)S A477048 [1,1,0,0,0,0|2,0,0]=4 1152 B8R1.5 C1=CC=C(C(=C1)O)S M101784 [1,1,0,0,0,0|2,0,0]=4 1153 B8R1.5 C1=CC=C(C(=C1)S)Br B101772 [1,1,0,0,0,0|2,0,0]=4 1154 B8R1.5 C1=CC=C(C(=C1)S)Cl C101764 [1,1,0,0,0,0|2,0,0]=4 1155 B8R1.5 C1=CC=C(C(=C1)S)Cl C639109 [1,1,0,0,0,0|2,0,0]=4 1156 B8R1.5 C1=CC=C(C(=C1)S)S B152759 [1,1,0,0,0,0|2,0,0]=4 1157 B8R1.5 C1=CN=C(C(=N1)Cl)Cl D123437 [1,1,0,0,0,0|1,0,0]=3 1158 B8R1.5 C1=CN=C(C(=N1)N)Cl A121861 [1,1,0,0,0,0|1,0,0]=3 1159 B8R1.5 C1=CN=C(C(=N1)N)Cl A469516 [1,1,0,0,0,0|1,0,0]=3 1160 B8R1.5 C1=CN=C(C(=N1)N)N D190531 [1,1,0,0,0,0|1,0,0]=3 1161 B8R1.5 C1=CN=C(C(=O)N1)N A184511 [1,1,0,0,0,0|0,1,1]=4 1162 B8R1.5 C1=CN=CC(=C1Br)Br D154412 [1,1,0,0,0,0|2,0,0]=4 1163 B8R1.5 C1=CN=CC(=C1Br)Cl B194810 [1,1,0,0,0,0|2,0,0]=4 1164 B8R1.5 C1=CN=CC(=C1Br)O B181861 [1,1,0,0,0,0|1,1,0]=4 1165 B8R1.5 C1=CN=CC(=C1Cl)Br B176292 [1,1,0,0,0,0|2,0,0]=4 1166 B8R1.5 C1=CN=CC(=C1Cl)Cl D193939 [1,1,0,0,0,0|2,0,0]=4 1167 B8R1.5 C1=CN=CC(=C1Cl)F C119649 [1,1,0,0,0,0|2,0,0]=4 1168 B8R1.5 C1=CN=CC(=C1Cl)I C139399 [1,1,0,0,0,0|2,0,0]=4 1169 B8R1.5 C1=CN=CC(=C1Cl)N A124742 [1,1,0,0,0,0|2,0,0]=4 1170 B8R1.5 C1=CN=CC(=C1Cl)O C128912 [1,1,0,0,0,0|1,1,0]=4 1171 B8R1.5 C1=CN=CC(=C1I)Br B590585 [1,1,0,0,0,0|2,0,0]=4 1172 B8R1.5 C1=CN=CC(=C1I)Cl C120555 [1,1,0,0,0,0|2,0,0]=4 1173 B8R1.5 C1=CN=CC(=C1I)F F588214 [1,1,0,0,0,0|2,0,0]=4 1174 B8R1.5 C1=CN=CC(=C1I)N A123932 [1,1,0,0,0,0|2,0,0]=4 1175 B8R1.5 C1=CN=CC(=C1N)Br A120721 [1,1,0,0,0,0|2,0,0]=4 1176 B8R1.5 C1=CN=CC(=C1N)Cl A132817 [1,1,0,0,0,0|2,0,0]=4 1177 B8R1.5 C1=CN=CC(=C1N)F A119629 [1,1,0,0,0,0|2,0,0]=4 1178 B8R1.5 C1=CN=CC(=C1N)I I107963 [1,1,0,0,0,0|2,0,0]=4 1179 B8R1.5 C1=CN=CC(=C1N)N D154393 [1,1,0,0,0,0|2,0,0]=4 1180 B8R1.5 C1=CN=CC(=C1N)N D424687 [1,1,0,0,0,0|2,0,0]=4 1181 B8R1.5 CC1=C(C=CC=N1)Br B120553 [1,1,0,0,0,0|1,0,0]=3 1182 B8R1.5 CC1=C(C=CC=N1)F F191212 [1,1,0,0,0,0|1,0,0]=3 1183 B8R1.5 CC1=C(C=CC=N1)N A103064 [1,1,0,0,0,0|1,0,0]=3 1184 B8R1.5 CC1=C(C=CC=N1)O H122390 [1,1,0,0,0,0|1,0,0]=3 1185 B8R1.5 CC1=C(C=CN=C1)Cl C138427 [1,1,0,0,0,0|1,0,0]=3 1186 B8R1.5 CC1=C(C=CN=C1)N M119392 [1,1,0,0,0,0|1,0,0]=3 1187 B8R1.5 CC1=C(C=NC=C1)Br B107960 [1,1,0,0,0,0|2,0,0]=4 1188 B8R1.5 CC1=C(C=NC=C1)Cl W134002 [1,1,0,0,0,0|2,0,0]=4 1189 B8R1.5 CC1=C(C=NC=C1)F F135625 [1,1,0,0,0,0|2,0,0]=4 1190 B8R1.5 CC1=C(C=NC=C1)I I588962 [1,1,0,0,0,0|2,0,0]=4 1191 B8R1.5 CC1=C(C=NC=C1)N A122386 [1,1,0,0,0,0|2,0,0]=4 1192 B8R1.5 CC1=C(C=NC=C1)O H179446 [1,1,0,0,0,0|1,1,0]=4 1193 B8R1.5 CC1=C(N=CC=C1)Br B110258 [1,1,0,0,0,0|1,0,0]=3 1194 B8R1.5 CC1=C(N=CC=C1)C L109204 [1,1,0,0,0,0|1,0,0]=3 1195 B8R1.5 CC1=C(N=CC=C1)Cl C124347 [1,1,0,0,0,0|1,0,0]=3 1196 B8R1.5 CC1=C(N=CC=C1)F F119658 [1,1,0,0,0,0|1,0,0]=3 1197 B8R1.5 CC1=C(N=CC=C1)N A107212 [1,1,0,0,0,0|1,0,0]=3 1198 B8R1.5 CC1=C(N=CC=C1)N A140869 [1,1,0,0,0,0|1,0,0]=3 1199 B8R1.5 CC1=CC=CC=C1Br B108526 [1,1,0,0,0,0|2,0,0]=4 1200 B8R1.5 CC1=CC=CC=C1C O102277 [1,1,0,0,0,0|2,0,0]=4 1201 B8R1.5 CC1=CC=CC=C1C X108969 [1,1,0,0,0,0|2,0,0]=4 1202 B8R1.5 CC1=CC=CC=C1C X108971 [1,1,0,0,0,0|2,0,0]=4 1203 B8R1.5 CC1=CC=CC=C1C X108972 [1,1,0,0,0,0|2,0,0]=4 1204 B8R1.5 CC1=CC=CC=C1C X117370 [1,1,0,0,0,0|2,0,0]=4 1205 B8R1.5 CC1=CC=CC=C1C X117372 [1,1,0,0,0,0|2,0,0]=4 1206 B8R1.5 CC1=CC=CC=C1C X119713 [1,1,0,0,0,0|2,0,0]=4 1207 B8R1.5 CC1=CC=CC=C1C X128150 [1,1,0,0,0,0|2,0,0]=4 1208 B8R1.5 CC1=CC=CC=C1Cl C108163 [1,1,0,0,0,0|2,0,0]=4 1209 B8R1.5 CC1=CC=CC=C1Cl C108164 [1,1,0,0,0,0|2,0,0]=4 1210 B8R1.5 CC1=CC=CC=C1Cl C108165 [1,1,0,0,0,0|2,0,0]=4 1211 B8R1.5 CC1=CC=CC=C1Cl C108168 [1,1,0,0,0,0|2,0,0]=4 1212 B8R1.5 CC1=CC=CC=C1F F123653 [1,1,0,0,0,0|2,0,0]=4 1213 B8R1.5 CC1=CC=CC=C1I I103584 [1,1,0,0,0,0|2,0,0]=4 1214 B8R1.5 CC1=CC=CC=C1N O333989 [1,1,0,0,0,0|2,0,0]=4 1215 B8R1.5 CC1=CC=CC=C1N T103926 [1,1,0,0,0,0|2,0,0]=4 1216 B8R1.5 CC1=CC=CC=C1N T103927 [1,1,0,0,0,0|2,0,0]=4 1217 B8R1.5 CC1=CC=CC=C1N T103928 [1,1,0,0,0,0|2,0,0]=4 1218 B8R1.5 CC1=CC=CC=C1O C108231 [1,1,0,0,0,0|2,0,0]=4 1219 B8R1.5 CC1=CC=CC=C1O C108233 [1,1,0,0,0,0|2,0,0]=4 1220 B8R1.5 CC1=CC=CC=C1O C108234 [1,1,0,0,0,0|2,0,0]=4 1221 B8R1.5 CC1=CC=CC=C1O C108235 [1,1,0,0,0,0|2,0,0]=4 1222 B8R1.5 CC1=CC=CC=C1O C108236 [1,1,0,0,0,0|2,0,0]=4 1223 B8R1.5 CC1=CC=CC=C1S M101295 [1,1,0,0,0,0|2,0,0]=4 1224 B8R1.5 CC1=CC=CC=[N+]1N A151482 [1,1,0,0,0,0|1,0,1]=4 1225 B8R1.5 CC1=CC=CC=[N+]1[O-] M158853 [1,1,0,0,0,0|1,0,1]=4 1226 B8R1.5 CC1=CC=CNC1=O H124768 [1,1,0,0,0,0|1,0,1]=4 1227 B8R1.5 CC1=CC=CNC1=S M404770 [1,1,0,0,0,0|1,0,1]=4 1228 B8R1.5 CC1=CNC=CC1=O H119394 [1,1,0,0,0,0|1,0,1]=4 1229 B8R1.5 CC1=NC=CN=C1C D106292 [1,1,0,0,0,0|0,0,0]=2 1230 B8R1.5 CC1=NC=CN=C1Cl C479894 [1,1,0,0,0,0|0,0,0]=2 1231 B8R1.5 CC1=NC=CNC1=O H132311 [1,1,0,0,0,0|0,0,1]=3 1232 B8R1.5 CC1=NC=NC=C1Br B181501 [1,1,0,0,0,0|2,0,0]=4 1233 B8R1.1 CC1=CC=C(O1)SC M133227 [0,1,0,0,1,0|1,0,0]=3 1234 B8R1.1 CCC1=CC(=NN1)N A587870 [0,1,0,0,1,0|2,0,0]=4 1235 B8R1.1 CCC1=NC(=CS1)C E124072 [0,1,0,0,1,0|2,0,0]=4 1236 B8R1.1 CCC1=NC(=NN1)N E168786 [0,1,0,0,1,0|2,0,0]=4 1237 B8R1.1 CCC1=NC=C(N1)C E104846 [0,1,0,0,1,0|1,0,1]=4 1238 B8R1.1 CCN1C=C(C=N1)Br B186185 [0,1,0,0,1,0|2,0,0]=4 1239 B8R1.1 COC1=NC(=CS1)Br B168930 [0,1,0,0,1,0|1,1,0]=4 1240 B8R1.1 CSC1=NC(=CS1)Br B182627 [0,1,0,0,1,0|1,0,0]=3 1241 B8R1.1 CSC1=NN=C(S1)N A170827 [0,1,0,0,1,0|2,0,0]=4 1242 B8R1.1 CSC1=NNC(=N1)N A151264 [0,1,0,0,1,0|1,0,0]=3 1243 B8R1.1 CSC1=NNC(=S)S1 M157874 [0,1,0,0,1,0|2,0,0]=4 1244 B8R1.7 CC(=C1C=CC=C1)C D168651 [0,1,0,0,1,0|2,0,0]=4 1245 B8R1.7 CC(=O)C1=CC=CN1 A113378 [0,1,0,0,1,0|1,0,1]=4 1246 B8R1.7 CC(=O)C1=CC=CO1 F106238 [0,1,0,0,1,0|2,0,0]=4 1247 B8R1.7 CC(=O)C1=CC=CS1 A109378 [0,1,0,0,1,0|2,0,0]=4 1248 B8R1.7 CC(=O)C1=CC=NN1 H588033 [0,1,0,0,1,0|2,0,0]=4 1249 B8R1.7 CC(=O)C1=CN=CN1 A194232 [0,1,0,0,1,0|1,0,1]=4 1250 B8R1.7 CC(=O)C1=CNC=C1 A179139 [0,1,0,0,1,0|1,0,1]=4 1251 B8R1.7 CC(=O)C1=CNN=C1 H175889 [0,1,0,0,1,0|2,0,0]=4 1252 B8R1.7 CC(=O)C1=CSC=C1 A111250 [0,1,0,0,1,0|2,0,0]=4 1253 B8R1.7 CC(=O)C1=NC=CS1 A124071 [0,1,0,0,1,0|2,0,0]=4 1254 B8R1.7 CC(=O)N1C=CN=C1 A100252 [0,1,0,0,1,0|2,0,0]=4 1255 B8R1.7 CC(C)C1=CC=NN1 I400398 [0,1,0,0,1,0|2,0,0]=4 1256 B8R1.7 CC(C)C1=NC=CN1 I136584 [0,1,0,0,1,0|1,0,1]=4 1257 B8R1.7 CC(C)N1C=CC=N1 I157629 [0,1,0,0,1,0|2,0,0]=4 1258 B8R1.7 CC(C)N1C=CN=C1 I157587 [0,1,0,0,1,0|2,0,0]=4 1259 B8R1.7 CC(C1=CC=CO1)O R588542 [0,1,0,0,1,0|2,0,0]=4 1260 B8R1.7 CC(C1=CC=CO1)O x170274 [0,1,0,0,1,0|2,0,0]=4 1261 B8R1.7 CC(C1=CSC=C1)N T166251 [0,1,0,0,1,0|2,0,0]=4 1262 B8R1.8 C1=C(C=NN1)CCCl C589127 [0,1,0,0,1,0|2,0,0]=4 1263 B8R1.8 C1=C(C=NN1)CCO H587730 [0,1,0,0,1,0|2,0,0]=4 1264 B8R1.8 C1=C(NC=N1)CCN H106192 [0,1,0,0,1,0|1,0,1]=4 1265 B8R1.8 C1=C(NC=N1)CCN H110868 [0,1,0,0,1,0|1,0,1]=4 1266 B8R1.8 C1=C(NC=N1)CCN H111796 [0,1,0,0,1,0|1,0,1]=4 1267 B8R1.8 C1=C(NC=N1)CCN H424422 [0,1,0,0,1,0|1,0,1]=4 1268 B8R1.8 C1=C(NC=N1)CCN H424438 [0,1,0,0,1,0|1,0,1]=4 1269 B8R1.8 C1=C(NC=N1)CCO H177821 [0,1,0,0,1,0|1,0,1]=4 1270 B8R1.8 C1=C(NN=C1)CCN B344644 [0,1,0,0,1,0|2,0,0]=4 1271 B8R1.8 C1=C(NN=C1)CCN B421467 [0,1,0,0,1,0|2,0,0]=4 1272 B8R1.8 C1=CN(C=N1)CCCl N342105 [0,1,0,0,1,0|2,0,0]=4 1273 B8R1.8 C1=CN(C=N1)CCN I304034 [0,1,0,0,1,0|2,0,0]=4 1274 B8R1.8 C1=CN(C=N1)CCO H140402 [0,1,0,0,1,0|2,0,0]=4 1275 B8R1.8 C1=CN(N=C1)CCO H185686 [0,1,0,0,1,0|2,0,0]=4 1276 B8R1.8 C1=CSC(=C1)CCN T107627 [0,1,0,0,1,0|2,0,0]=4 1277 B8R1.8 C1=CSC(=C1)CCN T493549 [0,1,0,0,1,0|2,0,0]=4 1278 B8R1.8 C1=CSC(=C1)CCO T107405 [0,1,0,0,1,0|2,0,0]=4 1279 B8R1.8 C1=CSC=C1CCN T176215 [0,1,0,0,1,0|2,0,0]=4 1280 B8R1.8 C1=CSC=C1CCN T337701 [0,1,0,0,1,0|2,0,0]=4 1281 B8R1.8 C1=CSC=C1CCO T162832 [0,1,0,0,1,0|2,0,0]=4 1282 B8R1.8 CCCC1=CC=CO1 P160277 [0,1,0,0,1,0|2,0,0]=4 1283 B8R1.8 CCCC1=CC=CS1 P167542 [0,1,0,0,1,0|2,0,0]=4 1284 B8R1.8 CCCC1=CSC=C1 P160669 [0,1,0,0,1,0|2,0,0]=4 1285 B8R1.8 CCCC1=NC=CN1 P135164 [0,1,0,0,1,0|1,0,1]=4 1286 B8R1.8 CCCC1=NC=CS1 P160319 [0,1,0,0,1,0|2,0,0]=4 1287 B8R1.8 CCCN1C=CN=C1 P135093 [0,1,0,0,1,0|2,0,0]=4 1288 B8R1.8 CCOC1=NC=CS1 E135543 [0,1,0,0,1,0|1,1,0]=4 1289 B8R1.8 CCSC1=NNN=N1 E111310 [0,1,0,0,1,0|2,0,0]=4 1290 B8R1.8 CNCC1=CC=CO1 I170508 [0,1,0,0,1,0|2,0,0]=4 1291 B8R1.8 COCN1C=CN=C1 M191910 [0,1,0,0,1,0|1,1,0]=4 1292 B8R1.8 CSCC1=CC=CO1 F102908 [0,1,0,0,1,0|1,0,0]=3 1293 B8R1.8 NCCC1=C[NH]C=N1 H408357 [0,1,0,0,1,0|1,0,1]=4 1294 B8R1.11 CC1=C(C=CO1)SC M102940 [0,1,0,0,1,0|1,0,0]=3 1295 B8R1.11 CCN1C(=CC=N1)N E133315 [0,1,0,0,1,0|2,0,0]=4 1296 B8R1.11 CCN1C=CN=C1C E588107 [0,1,0,0,1,0|2,0,0]=4 1297 B10R1.1 CCOC1=NC=C(C=C1)Br B122972 [0,2,0,0,0,0|1,1,0]=4 1298 B10R1.1 CCOC1=NC=C(C=C1)Cl C588198 [0,2,0,0,0,0|1,1,0]=4 1299 B10R1.3 C1=C(N=CC(=N1)C#N)C#N P588702 [0,2,0,0,0,0|2,0,0]=4 1300 B10R1.3 COC1=CC=C(C=C1)SC M101846 [0,2,0,0,0,0|2,0,0]=4 1301 B10R1.3 COC1=CN=C(C=C1)C#N M178084 [0,2,0,0,0,0|1,1,0]=4 1302 B10R1.3 COC1=CN=C(C=C1)C=O M182921 [0,2,0,0,0,0|1,1,0]=4 1303 B10R1.3 COC1=CN=C(C=C1)CO M190450 [0,2,0,0,0,0|1,1,0]=4 1304 B10R1.3 COC1=NC=C(C=C1)C#N M167622 [0,2,0,0,0,0|1,1,0]=4 1305 B10R1.3 COC1=NC=C(C=C1)C=O M115769 [0,2,0,0,0,0|1,1,0]=4 1306 B10R1.3 COC1=NC=C(C=C1)CN M177670 [0,2,0,0,0,0|1,1,0]=4 1307 B10R1.3 COC1=NC=C(C=C1)CO M176865 [0,2,0,0,0,0|1,1,0]=4 1308 B10R1.3 CSC1=CC=C(C=C1)C#N M101849 [0,2,0,0,0,0|2,0,0]=4 1309 B10R1.3 CSC1=CC=C(C=C1)C=O P133663 [0,2,0,0,0,0|2,0,0]=4 1310 B10R1.3 CSC1=CC=C(C=C1)CCl M101851 [0,2,0,0,0,0|2,0,0]=4 1311 B10R1.3 CSC1=CC=C(C=C1)CO M101850 [0,2,0,0,0,0|2,0,0]=4 1312 B10R1.3 CSC1=NC=C(C=N1)C=O M178139 [0,2,0,0,0,0|2,0,0]=4 1313 B10R1.3 CSC1=NN=C(N=N1)SC B463695 [0,2,0,0,0,0|2,0,0]=4 1314 B10R1.13 C1=C(N=CC(=N1)Cl)C(=O)N C182758 [0,2,0,0,0,0|2,0,0]=4 1315 B10R1.13 C1=C(N=CC(=N1)Cl)C(=O)O C154054 [0,2,0,0,0,0|2,0,0]=4 1316 B10R1.13 CC(=O)C1=CN=C(C=C1)Br B115765 [0,2,0,0,0,0|2,0,0]=4 1317 B10R1.13 CC(=O)C1=CN=C(C=C1)Cl A151743 [0,2,0,0,0,0|2,0,0]=4 1318 B10R1.13 CC(=O)C1=CN=C(C=C1)F F186855 [0,2,0,0,0,0|2,0,0]=4 1319 B10R1.13 CC(=O)C1=NC=C(C=C1)Br B182791 [0,2,0,0,0,0|2,0,0]=4 1320 B10R1.13 CC(=O)C1=NC=C(C=C1)O H194521 [0,2,0,0,0,0|2,0,0]=4 1321 B10R1.13 CC(C)C1=NC=C(C=C1)Br B586459 [0,2,0,0,0,0|2,0,0]=4 1322 B10R1.13 CC(C)C1=NC=C(C=C1)N P176415 [0,2,0,0,0,0|2,0,0]=4 1323 B10R1.13 CC(C1=CN=C(C=C1)Cl)N C489471 [0,2,0,0,0,0|2,0,0]=4 1324 B10R1.13 CC(C1=NC=C(C=C1)Br)N B489562 [0,2,0,0,0,0|2,0,0]=4 1325 B10R1.13 CC(C1=NC=C(C=C1)Br)N R489263 [0,2,0,0,0,0|2,0,0]=4 1326 B10R1.13 CC(C1=NC=C(C=C1)Br)N S489604 [0,2,0,0,0,0|2,0,0]=4 1327 B10R1.13 CC1=CN=C(C=C1)C(=O)C A185017 [0,2,0,0,0,0|2,0,0]=4 1328 B10R1.13 CC1=CN=C(C=N1)C(=O)O M106709 [0,2,0,0,0,0|2,0,0]=4 1329 B10R1.13 CC1=NC=C(C=C1)C(=O)C A123439 [0,2,0,0,0,0|2,0,0]=4 1330 B10R1.13 CN(C)C1=CN=C(C=C1)Br B588991 [0,2,0,0,0,0|2,0,0]=4 1331 B10R1.25 C1=C(N=C(C(=N1)C#N)Cl)Cl D176090 [0,2,0,0,0,0|2,0,0]=4 1332 B10R1.25 CC1=C(C=CC(=C1)O)SC M158095 [0,2,0,0,0,0|2,0,0]=4 1333 B10R1.25 CC1=CC(=C(N=C1)OC)Br B186222 [0,2,0,0,0,0|1,1,0]=4 1334 B10R1.25 CC1=CC(=CN=C1OC)N W136054 [0,2,0,0,0,0|1,1,0]=4 1335 B10R1.25 CCC1=NC=C(N=C1C)C E103761 [0,2,0,0,0,0|1,0,0]=3 1336 B10R1.25 CCC1=NC=C(N=C1C)C E133774 [0,2,0,0,0,0|1,0,0]=3 1337 B10R1.25 COC1=C(C=C(C=N1)Br)Br W131876 [0,2,0,0,0,0|1,1,0]=4 1338 B10R1.25 COC1=C(C=C(C=N1)Br)Cl B136789 [0,2,0,0,0,0|1,1,0]=4 1339 B10R1.25 COC1=C(C=C(C=N1)Br)F B180531 [0,2,0,0,0,0|1,1,0]=4 1340 B10R1.25 COC1=C(C=C(C=N1)Br)I B479205 [0,2,0,0,0,0|1,1,0]=4 1341 B10R1.25 COC1=C(C=C(C=N1)Br)N B590515 [0,2,0,0,0,0|1,1,0]=4 1342 B10R1.25 COC1=C(C=C(C=N1)Cl)Br B165529 [0,2,0,0,0,0|1,1,0]=4 1343 B10R1.25 COC1=C(C=C(C=N1)F)Br B187647 [0,2,0,0,0,0|1,1,0]=4 1344 B10R1.25 COC1=C(C=C(C=N1)F)F D133212 [0,2,0,0,0,0|1,1,0]=4 1345 B10R1.25 COC1=C(C=C(C=N1)N)Br A185025 [0,2,0,0,0,0|1,1,0]=4 1346 B10R1.25 COC1=C(C=C(C=N1)N)Cl C191174 [0,2,0,0,0,0|1,1,0]=4 1347 B10R1.25 COC1=C(N=C(C=C1)Br)Br D590202 [0,2,0,0,0,0|1,1,0]=4 1348 B10R1.25 COC1=C(N=C(C=C1)I)Br B169549 [0,2,0,0,0,0|1,1,0]=4 1349 B10R1.25 COC1=C(N=C(C=C1)I)I D170361 [0,2,0,0,0,0|1,1,0]=4 1350 B10R1.176 CC1=C(C=CC(=N1)OC)Br B120739 [0,2,0,0,0,0|1,1,0]=4 1351 B10R1.176 CC1=C(C=CC(=N1)OC)N A184948 [0,2,0,0,0,0|1,1,0]=4 1352 B10R1.176 CC1=CC(=NC=C1Br)OC W131917 [0,2,0,0,0,0|1,1,0]=4 1353 B10R1.176 CC1=CC(=NC=C1N)OC A185897 [0,2,0,0,0,0|1,1,0]=4 1354 B10R1.176 CC1=CN=C(N=C1Cl)SC C194179 [0,2,0,0,0,0|2,0,0]=4 1355 B10R1.176 CCC1=CN=C(C(=N1)C)C E156377 [0,2,0,0,0,0|1,0,0]=3 1356 B10R1.176 COC1=NC(=C(C=C1)Br)Cl B186590 [0,2,0,0,0,0|1,1,0]=4 1357 B10R1.176 COC1=NC(=C(C=C1)Br)F B586697 [0,2,0,0,0,0|1,1,0]=4 1358 B10R1.176 COC1=NC(=C(C=C1)Br)N B193667 [0,2,0,0,0,0|1,1,0]=4 1359 B10R1.176 COC1=NC(=C(C=C1)Cl)N A590054 [0,2,0,0,0,0|1,1,0]=4 1360 B10R1.176 COC1=NC(=C(C=C1)N)Br A181285 [0,2,0,0,0,0|1,1,0]=4 1361 B10R1.176 COC1=NC(=C(C=C1)N)Cl A169728 [0,2,0,0,0,0|1,1,0]=4 1362 B10R1.176 COC1=NC=C(C(=C1)F)Br B578685 [0,2,0,0,0,0|1,1,0]=4 1363 B10R1.176 CSC1=NC=C(C(=N1)Cl)Br B123113 [0,2,0,0,0,0|2,0,0]=4 1364 B10R1.2 CC1=C(C(=NC=C1)OC)Br B186221 [0,2,0,0,0,0|1,1,0]=4 1365 B10R1.2 COC1=NC=CC(=C1N)N B301204 [0,2,0,0,0,0|1,1,0]=4 1366 B10R1.8 CC1=CC(=NC(=N1)SC)C D189011 [0,2,0,0,0,0|2,0,0]=4 1367 B10R1.8 CC1=CC(=NC(=N1)SC)Cl C153536 [0,2,0,0,0,0|2,0,0]=4 1368 B10R1.8 CNC1=NC(=CC(=C1)Cl)Cl D587781 [0,2,0,0,0,0|2,0,0]=4 1369 B10R1.8 CSC1=CC(=CC(=C1)Cl)Cl D101841 [0,2,0,0,0,0|2,0,0]=4 1370 B10R1.8 CSC1=NC(=CC(=N1)Cl)Cl D110314 [0,2,0,0,0,0|2,0,0]=4 1371 B10R1.8 CSC1=NC(=CC(=N1)Cl)N A151269 [0,2,0,0,0,0|2,0,0]=4 1372 B10R1.8 CSC1=NC(=CC(=N1)N)N D302038 [0,2,0,0,0,0|2,0,0]=4 1373 B10R1.8 CSC1=NC(=CC(=O)N1)N A137424 [0,2,0,0,0,0|2,0,0]=4 1374 B10R1.8 CSC1=NC(=CC(=O)N1)O D108035 [0,2,0,0,0,0|2,0,0]=4 1375 B10R1.10 CCOC1=CC(=CN=C1)Br B152240 [0,2,0,0,0,0|1,1,0]=4 1376 B10R1.10 CCOC1=NC(=CC=C1)Cl C154060 [0,2,0,0,0,0|1,1,0]=4 1377 B10R1.10 CCOC1=NC=CC(=C1)N A187936 [0,2,0,0,0,0|1,1,0]=4 1378 B10R1.10 CCSC1=CC(=CC=C1)Br B168061 [0,2,0,0,0,0|2,0,0]=4 1379 B10R1.30 C#CC1=NC(=CN=C1N)Br A180121 [0,2,0,0,0,0|1,0,1]=4 1380 B10R1.30 C1=C(N=C(C(=N1)Cl)C#N)Cl D192967 [0,2,0,0,0,0|2,0,0]=4 1381 B10R1.30 C1=C(N=C(C(=N1)N)C#N)Br A182065 [0,2,0,0,0,0|2,0,0]=4 1382 B10R1.30 C1=C(N=C(C(=N1)N)C=O)Br A302544 [0,2,0,0,0,0|2,0,0]=4 1383 B10R1.30 CC1=CC(=C(N=C1)Cl)OC C166455 [0,2,0,0,0,0|1,1,0]=4 1384 B10R1.30 CC1=CN=C(C(=N1)OC)C M302692 [0,2,0,0,0,0|0,1,0]=3 1385 B10R1.30 CC1=NC(=C(C=C1)Br)OC B589982 [0,2,0,0,0,0|1,1,0]=4 1386 B10R1.30 CCC1=C(C=CC(=N1)C)O E134371 [0,2,0,0,0,0|2,0,0]=4 1387 B10R1.30 CCC1=C(C=CC(=N1)C)O E404399 [0,2,0,0,0,0|2,0,0]=4 1388 B10R1.30 COC1=C(C=CC(=N1)Br)N A187873 [0,2,0,0,0,0|1,1,0]=4 1389 B10R1.30 COC1=C(N=CC(=C1)Br)Cl B138607 [0,2,0,0,0,0|1,1,0]=4 1390 B10R1.30 COC1=C(N=CC(=C1)Br)I B188523 [0,2,0,0,0,0|1,1,0]=4 1391 B10R1.30 COC1=C(N=CC(=C1)Br)N B184471 [0,2,0,0,0,0|1,1,0]=4 1392 B10R1.30 COC1=NC(=CN=C1I)Br B193527 [0,2,0,0,0,0|0,1,0]=3 1393 B10R1.30 COC1=NC(=CN=C1N)Br A121884 [0,2,0,0,0,0|0,1,0]=3 1394 B10R1.30 CSC1=NC(=NC=C1F)Cl C177881 [0,2,0,0,0,0|2,0,0]=4 1395 B10R1.113 C1=C(N=C(C=N1)Cl)C(=O)O C154052 [0,2,0,0,0,0|2,0,0]=4 1396 B10R1.113 CC(=O)C1=CC(=CN=C1)Br B107717 [0,2,0,0,0,0|2,0,0]=4 1397 B10R1.113 CC(=O)C1=NC(=CC=C1)Br A115764 [0,2,0,0,0,0|2,0,0]=4 1398 B10R1.113 CC(=O)C1=NC=CC(=C1)Br B586273 [0,2,0,0,0,0|2,0,0]=4 1399 B10R1.113 CC(C1=NC(=CC=C1)Br)O B167167 [0,2,0,0,0,0|2,0,0]=4 1400 B10R1.113 CC1=CC(=NC=C1)C(=O)C A115766 [0,2,0,0,0,0|2,0,0]=4 1401 B10R1.113 CC1=CN=CC(=N1)C(=O)O M193891 [0,2,0,0,0,0|2,0,0]=4 1402 B10R1.113 CC1=NC(=CC=C1)C(=O)C A194623 [0,2,0,0,0,0|2,0,0]=4 1403 B10R1.113 CN(C)C1=NC(=CC=C1)Br B481531 [0,2,0,0,0,0|2,0,0]=4 1404 B10R1.113 CN(C)C1=NC=CC(=C1)Br B188536 [0,2,0,0,0,0|2,0,0]=4 1405 B10R1.172 CCC1=NC(=CC=C1)CC D195927 [0,2,0,0,0,0|2,0,0]=4 1406 B10R1.172 CCC1=NC=CC(=C1)C#N E191103 [0,2,0,0,0,0|2,0,0]=4 1407 B10R1.172 CNC1=NC(=CC=C1)OC M157814 [0,2,0,0,0,0|1,1,0]=4 1408 B10R1.172 COC1=CC(=CN=C1)OC D587836 [0,2,0,0,0,0|1,1,0]=4 1409 B10R1.172 COC1=CC(=NC=C1)OC D182331 [0,2,0,0,0,0|1,1,0]=4 1410 B10R1.172 COC1=CC=CC(=N1)C#N M195226 [0,2,0,0,0,0|1,1,0]=4 1411 B10R1.172 COC1=CC=CC(=N1)C=O M115767 [0,2,0,0,0,0|1,1,0]=4 1412 B10R1.172 COC1=CC=CC(=N1)CBr B191147 [0,2,0,0,0,0|1,1,0]=4 1413 B10R1.172 COC1=CC=CC(=N1)CO M194298 [0,2,0,0,0,0|1,1,0]=4 1414 B10R1.172 COC1=CN=CC(=C1)C#N M183504 [0,2,0,0,0,0|1,1,0]=4 1415 B10R1.172 COC1=CN=CC(=C1)C=O M115768 [0,2,0,0,0,0|1,1,0]=4 1416 B10R1.172 COC1=NC(=CC=C1)OC D120569 [0,2,0,0,0,0|1,1,0]=4 1417 B10R1.172 COC1=NC=CC(=C1)C=O M177294 [0,2,0,0,0,0|1,1,0]=4 1418 B10R1.172 COC1=NC=CC(=C1)CO M166644 [0,2,0,0,0,0|1,1,0]=4 1419 B10R1.172 CSC1=NC=CC(=N1)C=O M171907 [0,2,0,0,0,0|2,0,0]=4 1420 B10R1.15 C1=CC(=CN=C1)C(=O)CBr B131799 [0,2,0,0,0,0|2,0,0]=4 1421 B10R1.15 C1=CC=NC(=C1)C(=O)CBr B182147 [0,2,0,0,0,0|2,0,0]=4 1422 B10R1.15 C1=CN=C(C=N1)C(=NO)N P170695 [0,2,0,0,0,0|2,0,0]=4 1423 B10R1.15 C1=CN=C(C=N1)C(=O)NN P194980 [0,2,0,0,0,0|2,0,0]=4 1424 B10R1.15 CCC(=O)C1=CN=CC=C1 P131764 [0,2,0,0,0,0|2,0,0]=4 1425 B10R1.15 CCC(C1=CC=CC=N1)N P586083 [0,2,0,0,0,0|2,0,0]=4 1426 B10R1.15 CNC(=O)C1=CN=CC=C1 N159805 [0,2,0,0,0,0|2,0,0]=4 1427 B10R1.15 CNC(=O)C1=CN=CC=C1 N420708 [0,2,0,0,0,0|2,0,0]=4 1428 B10R1.15 COC(=N)C1=CC=CC=N1 M157825 [0,2,0,0,0,0|1,1,0]=4 1429 B10R1.15 COC(=O)C1=CC=CC=N1 M157799 [0,2,0,0,0,0|1,1,0]=4 1430 B10R1.15 COC(=O)C1=CN=CC=C1 M120395 [0,2,0,0,0,0|1,1,0]=4 1431 B10R1.15 COC(=O)C1=CN=CC=C1 M426993 [0,2,0,0,0,0|1,1,0]=4 1432 B10R1.15 COC(=O)C1=NC=CN=C1 M158371 [0,2,0,0,0,0|0,1,0]=3 1433 B10R1.28 C[Si](C)(C)C1=CC=CC=N1 T114545 [0,2,0,0,0,0|2,0,0]=4 1434 B10R1.61 C1=CN=C(C(=N1)C(=O)N)Cl C192033 [0,2,0,0,0,0|2,0,0]=4 1435 B10R1.61 C1=CN=C(C(=N1)C(=O)O)Cl C175973 [0,2,0,0,0,0|2,0,0]=4 1436 B10R1.61 C1=CN=C(C(=N1)C(=O)O)N A107498 [0,2,0,0,0,0|2,0,0]=4 1437 B10R1.61 CC(=O)C1=C(C=CC=N1)Cl C173299 [0,2,0,0,0,0|2,0,0]=4 1438 B10R1.61 CC(=O)C1=C(N=CC=C1)Br A128913 [0,2,0,0,0,0|2,0,0]=4 1439 B10R1.61 CC(=O)C1=C(N=CC=C1)Cl A138997 [0,2,0,0,0,0|2,0,0]=4 1440 B10R1.61 CC1=C(N=CC=C1)C(=O)C E491191 [0,2,0,0,0,0|2,0,0]=4 1441 B10R1.61 CC1=NC=CN=C1C(=O)C A113965 [0,2,0,0,0,0|1,0,0]=3 1442 B10R1.4 CCOC1=C(C=CC=N1)Br B139026 [0,2,0,0,0,0|1,1,0]=4 1443 B10R1.4 CCOC1=C(C=CC=N1)Cl C154075 [0,2,0,0,0,0|1,1,0]=4 1444 B10R1.4 CCOC1=C(C=CC=N1)I E134848 [0,2,0,0,0,0|1,1,0]=4 1445 B10R1.4 CCOC1=NC=CN=C1C E156373 [0,2,0,0,0,0|0,1,0]=3 1446 B10R1.17 C#CCSC1=CC=CC=C1 P101830 [0,2,0,0,0,0|2,0,0]=4 1447 B10R1.17 C1=CC=C(C=C1)SCC#N P160109 [0,2,0,0,0,0|2,0,0]=4 1448 B10R1.17 C1=CC=C(C=C1)SCCBr B152504 [0,2,0,0,0,0|2,0,0]=4 1449 B10R1.17 C1=CC=C(C=C1)SCCCl C101832 [0,2,0,0,0,0|2,0,0]=4 1450 B10R1.17 C1=CC=C(C=C1)SCCO P101545 [0,2,0,0,0,0|2,0,0]=4 1451 B10R1.17 C1=CC=NC(=C1)CCCO P133143 [0,2,0,0,0,0|2,0,0]=4 1452 B10R1.17 C=CCSC1=CC=CC=C1 A140290 [0,2,0,0,0,0|2,0,0]=4 1453 B10R1.17 CCCCC1=CN=CC=C1 B115782 [0,2,0,0,0,0|2,0,0]=4 1454 B10R1.17 CCNCC1=CC=CC=N1 N170728 [0,2,0,0,0,0|2,0,0]=4 1455 B10R1.17 CCNCC1=CC=CC=N1 N598953 [0,2,0,0,0,0|2,0,0]=4 1456 B10R1.17 CNCCC1=CC=CC=N1 B102783 [0,2,0,0,0,0|2,0,0]=4 1457 B10R1.17 CNCCC1=CC=CC=N1 B152161 [0,2,0,0,0,0|2,0,0]=4 1458 B10R1.17 CNCCC1=CC=CC=N1 B301305 [0,2,0,0,0,0|2,0,0]=4 1459 B10R1.17 CNCCC1=CC=CC=N1 B424673 [0,2,0,0,0,0|2,0,0]=4 1460 B10R1.17 CNCCC1=CC=CC=N1 M424771 [0,2,0,0,0,0|2,0,0]=4 1461 B10R1.17 COCCC1=CC=CC=N1 M157981 [0,2,0,0,0,0|1,1,0]=4 1462 B10R1.17 COCSC1=CC=CC=C1 M158419 [0,2,0,0,0,0|2,0,0]=4 1463 B10R1.18 CC(=O)CC1=CN=CC=C1 A355123 [0,2,0,0,0,0|2,0,0]=4 1464 B10R1.18 CC(=O)NC1=CC=CC=N1 A151788 [0,2,0,0,0,0|2,0,0]=4 1465 B10R1.18 CC(=O)NC1=CN=CC=C1 A151789 [0,2,0,0,0,0|2,0,0]=4 1466 B10R1.18 CC(=O)OC1=CN=CC=C1 A151785 [0,2,0,0,0,0|1,1,0]=4 1467 B10R1.18 CC(=O)SC1=CC=CC=C1 P101831 [0,2,0,0,0,0|2,0,0]=4 1468 B10R1.18 CC(C)OC1=CC=CC=N1 I191256 [0,2,0,0,0,0|1,1,0]=4 1469 B10R1.20 C1=CN=C(C(=N1)C#N)C#N D154791 [0,2,0,0,0,0|2,0,0]=4 1470 B10R1.20 CCC1=NC=CN=C1CC D154790 [0,2,0,0,0,0|1,0,0]=3 1471 B10R1.20 CCC1=NC=CN=C1OC E474282 [0,2,0,0,0,0|0,1,0]=3 1472 B10R1.20 CCC1=NC=CN=C1SC E156375 [0,2,0,0,0,0|0,0,0]=2 1473 B10R1.20 CNC1=C(C=CC=N1)CO M183687 [0,2,0,0,0,0|2,0,0]=4 1474 B10R1.20 COC1=C(C=CC=N1)C#N M186266 [0,2,0,0,0,0|1,1,0]=4 1475 B10R1.20 COC1=C(C=CC=N1)CO M172075 [0,2,0,0,0,0|1,1,0]=4 1476 B10R1.20 COC1=C(N=CC=C1)OC D133874 [0,2,0,0,0,0|1,1,0]=4 1477 B10R1.20 COC1=CC=CC=C1SC M101845 [0,2,0,0,0,0|2,0,0]=4 1478 B10R1.20 CSC1=CC=CC=C1C=O M157862 [0,2,0,0,0,0|2,0,0]=4 1479 B10R1.245 CC1=NC=CC(=C1OC)Cl C171910 [0,2,0,0,0,0|1,1,0]=4 1480 B10R2.7 C1=CNC2=NC=CN=C21 H176557 [0,1,0,1,0,0|1,0,1]=4 1481 B10R2.7 C1CC2=C(C1)N=CC=C2 C101917 [0,1,0,1,0,0|2,0,0]=4 1482 B10R2.7 C1CC2=C(C1)N=CC=C2 C616548 [0,1,0,1,0,0|2,0,0]=4 1483 B10R2.7 C1CNC2=C1C=CC=N2 D122895 [0,1,0,1,0,0|2,0,0]=4 1484 B6R1.2 C1=C(C=NN1)Br B119149 [1,0,0,0,1,0|2,0,0]=4 1485 B6R1.2 C1=C(C=NN1)Cl C153799 [1,0,0,0,1,0|2,0,0]=4 1486 B6R1.2 C1=C(C=NN1)I I157632 [1,0,0,0,1,0|2,0,0]=4 1487 B6R1.2 C1=C(C=NN1)N A135058 [1,0,0,0,1,0|2,0,0]=4 1488 B6R1.2 C1=C(C=NN1)N H176481 [1,0,0,0,1,0|2,0,0]=4 1489 B6R1.2 C1=C(C=NN1)O H589239 [1,0,0,0,1,0|1,1,0]=4 1490 B6R1.2 C1=C(C=NO1)I I590305 [1,0,0,0,1,0|2,0,0]=4 1491 B6R1.2 C1=C(C=NS1)N I304272 [1,0,0,0,1,0|2,0,0]=4 1492 B6R1.2 C1=C(N=CS1)Br B122730 [1,0,0,0,1,0|2,0,0]=4 1493 B6R1.2 C1=C(NC=N1)Br B119330 [1,0,0,0,1,0|1,0,1]=4 1494 B6R1.2 C1=C(NC=N1)F F176048 [1,0,0,0,1,0|1,0,1]=4 1495 B6R1.2 C1=C(NC=N1)I I115819 [1,0,0,0,1,0|1,0,1]=4 1496 B6R1.2 C1=C(NN=C1)Br B132639 [1,0,0,0,1,0|2,0,0]=4 1497 B6R1.2 C1=C(NN=C1)Br B586496 [1,0,0,0,1,0|2,0,0]=4 1498 B6R1.2 C1=C(NN=C1)F F174272 [1,0,0,0,1,0|2,0,0]=4 1499 B6R1.2 C1=C(NN=C1)I I157634 [1,0,0,0,1,0|2,0,0]=4 1500 B6R1.2 C1=C(NN=C1)I I586115 [1,0,0,0,1,0|2,0,0]=4 1501 B6R1.2 C1=C(NN=C1)N A105614 [1,0,0,0,1,0|2,0,0]=4 1502 B6R1.2 C1=C(NN=C1)N H304965 [1,0,0,0,1,0|2,0,0]=4 1503 B6R1.2 C1=C(NN=C1)N H586683 [1,0,0,0,1,0|2,0,0]=4 1504 B6R1.2 C1=C(ON=C1)N I587306 [1,0,0,0,1,0|2,0,0]=4 1505 B6R1.2 C1=C(SC=N1)Br B119307 [1,0,0,0,1,0|2,0,0]=4 1506 B6R1.2 C1=C(SC=N1)N A482119 [1,0,0,0,1,0|2,0,0]=4 1507 B6R1.2 C1=C(SC=N1)N T587693 [1,0,0,0,1,0|2,0,0]=4 1508 B6R1.2 C1=CN(N=C1)O H177521 [1,0,0,0,1,0|1,1,0]=4 1509 B6R1.2 C1=CN=C(N1)Br B123024 [1,0,0,0,1,0|1,0,1]=4 1510 B6R1.2 C1=CN=C(N1)Cl C153688 [1,0,0,0,1,0|1,0,1]=4 1511 B6R1.2 C1=CN=C(N1)I I169417 [1,0,0,0,1,0|1,0,1]=4 1512 B6R1.2 C1=CN=C(N1)N A129107 [1,0,0,0,1,0|1,0,1]=4 1513 B6R1.2 C1=CN=C(N1)N H186542 [1,0,0,0,1,0|1,0,1]=4 1514 B6R1.2 C1=COC(=C1)Br B152379 [1,0,0,0,1,0|2,0,0]=4 1515 B6R1.2 C1=COC(=N1)Br B586790 [1,0,0,0,1,0|2,0,0]=4 1516 B6R1.2 C1=COC(=N1)N A122648 [1,0,0,0,1,0|2,0,0]=4 1517 B6R1.2 C1=COC=C1Br B123116 [1,0,0,0,1,0|2,0,0]=4 1518 B6R1.2 C1=CON=C1Br B481858 [1,0,0,0,1,0|2,0,0]=4 1519 B6R1.2 C1=CON=C1N A124591 [1,0,0,0,1,0|2,0,0]=4 1520 B6R1.2 C1=CSC(=C1)Br B107006 [1,0,0,0,1,0|2,0,0]=4 1521 B6R1.2 C1=CSC(=C1)Cl C106575 [1,0,0,0,1,0|2,0,0]=4 1522 B6R1.2 C1=CSC(=C1)I I107041 [1,0,0,0,1,0|2,0,0]=4 1523 B6R1.2 C1=CSC(=C1)S T100899 [1,0,0,0,1,0|1,0,0]=3 1524 B6R1.2 C1=CSC(=N1)Br B123649 [1,0,0,0,1,0|2,0,0]=4 1525 B6R1.2 C1=CSC(=N1)Cl C121869 [1,0,0,0,1,0|2,0,0]=4 1526 B6R1.2 C1=CSC(=N1)N A104872 [1,0,0,0,1,0|2,0,0]=4 1527 B6R1.2 C1=CSC(=N1)N A418731 [1,0,0,0,1,0|2,0,0]=4 1528 B6R1.2 C1=CSC(=N1)N A418786 [1,0,0,0,1,0|2,0,0]=4 1529 B6R1.2 C1=CSC=C1Br B103164 [1,0,0,0,1,0|2,0,0]=4 1530 B6R1.2 C1=CSC=C1Cl C101614 [1,0,0,0,1,0|2,0,0]=4 1531 B6R1.2 C1=CSC=C1F F156769 [1,0,0,0,1,0|2,0,0]=4 1532 B6R1.2 C1=CSC=C1I I165643 [1,0,0,0,1,0|2,0,0]=4 1533 B6R1.2 C1=CSC=C1N D303790 [1,0,0,0,1,0|2,0,0]=4 1534 B6R1.2 C1=CSC=C1N T588427 [1,0,0,0,1,0|2,0,0]=4 1535 B6R1.2 C1=NNC(=N1)Br B177308 [1,0,0,0,1,0|2,0,0]=4 1536 B6R1.2 C1=NNC(=N1)Br B587371 [1,0,0,0,1,0|2,0,0]=4 1537 B6R1.2 C1=NNC(=N1)Br B589542 [1,0,0,0,1,0|2,0,0]=4 1538 B6R1.2 C1=NNC(=N1)Cl C136826 [1,0,0,0,1,0|2,0,0]=4 1539 B6R1.2 C1=NNC(=N1)N A107201 [1,0,0,0,1,0|2,0,0]=4 1540 B6R1.2 C1=NNC(=N1)N A107202 [1,0,0,0,1,0|2,0,0]=4 1541 B6R1.2 C1=NNN=C1Br B589054 [1,0,0,0,1,0|2,0,0]=4 1542 B6R1.2 C1=NNN=C1[S-] M139045 [1,0,0,0,1,0|1,0,1]=4 1543 B6R1.2 C1=NSC(=N1)Br B589113 [1,0,0,0,1,0|2,0,0]=4 1544 B6R1.2 CC1=CC=CN1 M185725 [1,0,0,0,1,0|0,0,1]=3 1545 B6R1.2 CC1=CC=CO1 M110932 [1,0,0,0,1,0|1,0,0]=3 1546 B6R1.2 CC1=CC=CS1 M109554 [1,0,0,0,1,0|1,0,0]=3 1547 B6R1.2 CC1=CC=NN1 M108005 [1,0,0,0,1,0|1,0,0]=3 1548 B6R1.2 CC1=CC=NO1 M158646 [1,0,0,0,1,0|1,0,0]=3 1549 B6R1.2 CC1=CN=CN1 M112296 [1,0,0,0,1,0|0,0,1]=3 1550 B6R1.2 CC1=CN=CS1 M124661 [1,0,0,0,1,0|1,0,0]=3 1551 B6R1.2 CC1=CNC=C1 M139090 [1,0,0,0,1,0|0,0,1]=3 1552 B6R1.2 CC1=CNN=C1 M158362 [1,0,0,0,1,0|1,0,0]=3 1553 B6R1.2 CC1=COC=C1 M158541 [1,0,0,0,1,0|1,0,0]=3 1554 B6R1.2 CC1=CSC=C1 M113676 [1,0,0,0,1,0|1,0,0]=3 1555 B6R1.2 CC1=CSC=N1 M103108 [1,0,0,0,1,0|1,0,0]=3 1556 B6R1.2 CC1=NC=CN1 M104839 [1,0,0,0,1,0|0,0,1]=3 1557 B6R1.2 CC1=NC=CS1 M299351 [1,0,0,0,1,0|1,0,0]=3 1558 B6R1.2 CC1=NC=C[N-]1 Z282555 [1,0,0,0,1,0|0,0,1]=3 1559 B6R1.2 CC1=NC=NN1 M177267 [1,0,0,0,1,0|1,0,0]=3 1560 B6R1.2 CC1=NNN=N1 M101657 [1,0,0,0,1,0|2,0,0]=4 1561 B6R1.2 CN1C=CC=C1 M100701 [1,0,0,0,1,0|2,0,0]=4 1562 B6R1.2 CN1C=CC=N1 M107967 [1,0,0,0,1,0|1,0,0]=3 1563 B6R1.2 CN1C=CN=C1 M109227 [1,0,0,0,1,0|1,0,0]=3 1564 B6R1.2 CN1C=CN=C1 M300816 [1,0,0,0,1,0|1,0,0]=3 1565 B6R1.2 CN1C=CN=C1 M342188 [1,0,0,0,1,0|1,0,0]=3 1566 B6R1.2 CN1C=NC=N1 M139070 [1,0,0,0,1,0|1,0,0]=3 1567 B6R1.2 CN1C=NN=C1 M586265 [1,0,0,0,1,0|2,0,0]=4 1568 B6R1.2 CN1C=NN=N1 M157962 [1,0,0,0,1,0|2,0,0]=4