0 B12R2.612 CC1=CC2=C(C=C1)C(=O)CC2 SY107054 [0,0,0,0,0,0|3,0,1]=4 1 B12R2.612 CC1=CC2=C(C=C1)C(=O)OC2 SY046065 [0,0,0,0,0,0|2,0,1]=3 2 B12R2.612 CC1=CC2=NOC(N)=C2C=C1 SY298694 [0,0,0,0,0,0|4,0,0]=4 3 B12R2.612 CC1=NOC2=CC(F)=CC=C21 SY298842 [0,0,0,0,0,0|4,0,0]=4 4 B12R2.612 NC1=C2C=CC(Br)=CC2=NO1 SY298579 [0,0,0,0,0,0|3,1,0]=4 5 B12R2.612 NC1=C2C=CC(Cl)=CC2=NO1 SY298564 [0,0,0,0,0,0|3,1,0]=4 6 B12R2.612 NC1=C2C=CC(F)=CC2=NO1 SY298688 [0,0,0,0,0,0|3,0,0]=3 7 B12R2.612 NC1=CC2=C(C=C1)C(=O)CC2 SY047054 [0,0,0,0,0,0|3,0,1]=4 8 B12R2.612 NC1=CC2=C(C=C1)C(=O)NC2 SY009635 [0,0,0,0,0,0|3,0,1]=4 9 B12R2.612 NC1=CC2=C(C=C1)C(=O)OC2 SY024775 [0,0,0,0,0,0|2,0,1]=3 10 B12R2.612 NC1=CC2=C(C=C1)C(O)=NN2 SY031802 [0,0,0,0,0,0|4,0,0]=4 11 B12R2.612 NC1=CC=C2B(O)OCC2=C1 SY019244 [0,0,0,0,0,0|1,0,0]=1 12 B12R2.612 NC1=NNC2=C1C=CC(F)=C2 SY007049 [0,0,0,0,0,0|4,0,0]=4 13 B12R2.612 NC1CCC2=C1C=CC(Br)=C2 SY249642 [0,0,0,0,0,0|3,1,0]=4 14 B12R2.612 O=C1CCC2=C1C=CC(Br)=C2 SY001016 [0,0,0,0,0,0|2,1,1]=4 15 B12R2.612 O=C1CCC2=C1C=CC(Cl)=C2 SY004428 [0,0,0,0,0,0|2,1,1]=4 16 B12R2.612 O=C1CCC2=C1C=CC(O)=C2 SY002061 [0,0,0,0,0,0|3,0,1]=4 17 B12R2.612 O=C1CCC2=CC(F)=CC=C12 SY017170 [0,0,0,0,0,0|2,0,1]=3 18 B12R2.612 O=C1COC2=CC(F)=CC=C12 SY011535 [0,0,0,0,0,0|3,0,1]=4 19 B12R2.612 O=C1NCC2=C1C=CC(Br)=C2 SY024144 [0,0,0,0,0,0|2,1,1]=4 20 B12R2.612 O=C1NCC2=C1C=CC(Cl)=C2 SY033496 [0,0,0,0,0,0|2,1,1]=4 21 B12R2.612 O=C1NCC2=C1C=CC(F)=C2 SY258649 [0,0,0,0,0,0|2,0,1]=3 22 B12R2.612 O=C1NCC2=C1C=CC(O)=C2 SY031206 [0,0,0,0,0,0|3,0,1]=4 23 B12R2.612 O=C1OCC2=C1C=CC(Br)=C2 SY020509 [0,0,0,0,0,0|1,1,1]=3 24 B12R2.612 O=C1OCC2=C1C=CC(O)=C2 SY244477 [0,0,0,0,0,0|2,0,1]=3 25 B12R2.612 OB1OCC2=CC(F)=CC=C12 SY038332 [0,0,0,0,0,0|0,0,0]=0 26 B12R2.612 OC1CCC2=C1N=CC(Cl)=C2 SY294775 [0,0,0,0,0,0|3,1,0]=4 27 B12R2.612 O[C@@H]1CCC2=C1C=CC(Br)=C2 SY123884 [0,0,0,0,0,0|2,1,0]=3 28 B12R2.612 O[C@H]1CCC2=C1C=CC(Br)=C2 SY258330 [0,0,0,0,0,0|2,1,0]=3 29 B11R2.1 C=C1CCC2=C1C=CC=C2 SY031740 [1,0,0,0,0,0|3,0,0]=4 30 B11R2.1 CC1=C2C=CC=CC2=NO1 SY246355 [1,0,0,0,0,0|3,0,0]=4 31 B11R2.1 NC1=C2C=CC=CC2=NO1 SY233373 [1,0,0,0,0,0|3,0,0]=4 32 B11R2.1 NC1=NCC2=C1C=CC=C2 SY027372 [1,0,0,0,0,0|3,0,0]=4 33 B11R2.1 NC1CCC2=C1C=CC=C2 SY004953 [1,0,0,0,0,0|3,0,0]=4 34 B11R2.1 NC1CCC2=CC=CC=C21 SY004234 [1,0,0,0,0,0|3,0,0]=4 35 B11R2.1 NN1CCC2=C1C=CC=C2 SY096651 [1,0,0,0,0,0|3,0,0]=4 36 B11R2.1 N[C@@H]1CCC2=C1C=CC=C2 SY030463 [1,0,0,0,0,0|3,0,0]=4 37 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 SY028017 [1,0,0,0,0,0|3,0,0]=4 38 B11R2.1 O=C1CCC2=C1C=CC=C2 SY001380 [1,0,0,0,0,0|2,0,1]=4 39 B11R2.1 O=C1NCC2=C1C=CC=C2 SY020116 [1,0,0,0,0,0|2,0,1]=4 40 B11R2.1 O=C1OCC2=C1C=CC=C2 SY001701 [1,0,0,0,0,0|1,0,1]=3 41 B11R2.1 O=C1OCC2=C1C=CN=C2 SY045272 [1,0,0,0,0,0|2,0,1]=4 42 B11R2.1 O=C1OCC2=NC=CC=C12 SY033776 [1,0,0,0,0,0|2,0,1]=4 43 B11R2.1 OB1OCC2=CC=CC=C12 SY025271 [1,0,0,0,0,0|0,0,0]=1 44 B11R2.1 OC1=NOC2=CC=CC=C21 SY031398 [1,0,0,0,0,0|3,0,0]=4 45 B11R2.1 OC1CCC2=C1C=CC=C2 SY014889 [1,0,0,0,0,0|2,0,0]=3 46 B11R2.1 OC1CCC2=C1N=CC=C2 SY017306 [1,0,0,0,0,0|3,0,0]=4 47 B11R2.1 ON1N=CC2=C1C=CC=C2 SY274261 [1,0,0,0,0,0|2,0,1]=4 48 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 SY275070 [1,0,0,0,0,0|2,0,0]=3 49 B11R2.1 [O-][N+]1=C2C=CC=CC2=NO1 SY020196 [1,0,0,0,0,0|2,0,1]=4 50 B11R2.36 BrC1=CC2=C(C=C1)CCC2 SY040210 [1,0,0,0,0,0|2,1,0]=4 51 B11R2.36 BrC1=CC2=C(C=C1)CNC2 SY027426 [1,0,0,0,0,0|2,1,0]=4 52 B11R2.36 BrC1=CC2=C(C=C1)CNC2 SY030731 [1,0,0,0,0,0|2,1,0]=4 53 B11R2.36 BrC1=CC2=C(C=C1)COC2 SY032751 [1,0,0,0,0,0|1,1,0]=3 54 B11R2.36 BrC1=CC2=C(C=C1)NCC2 SY017310 [1,0,0,0,0,0|2,1,0]=4 55 B11R2.36 BrC1=CC=C2OCCC2=C1 SY014915 [1,0,0,0,0,0|2,1,0]=4 56 B11R2.36 ClC1=CC2=C(C=C1)CNC2 SY024783 [1,0,0,0,0,0|2,1,0]=4 57 B11R2.36 ClC1=CC2=C(C=CC2)C=C1 SY298732 [1,0,0,0,0,0|2,1,0]=4 58 B11R2.36 FC1=CC2=C(C=C1)C=NN2 SY008889 [1,0,0,0,0,0|3,0,0]=4 59 B11R2.36 FC1=CC2=C(C=C1)CCN2 SY107270 [1,0,0,0,0,0|3,0,0]=4 60 B11R2.36 FC1=CC2=C(C=C1)CNC2 SY097472 [1,0,0,0,0,0|2,0,0]=3 61 B11R2.36 FC1=CC2=C(C=C1)NC=C2 SY003931 [1,0,0,0,0,0|2,0,1]=4 62 B11R2.36 FC1=CC2=C(C=CN2)C=C1 SY004098 [1,0,0,0,0,0|3,0,0]=4 63 B11R2.36 FC1=CC=C2N=COC2=C1 SY129982 [1,0,0,0,0,0|3,0,0]=4 64 B11R2.36 FC1=CC=C2NC=NC2=C1 SY113296 [1,0,0,0,0,0|3,0,0]=4 65 B11R2.36 FC1=CC=C2NN=CC2=C1 SY003897 [1,0,0,0,0,0|2,0,1]=4 66 B11R2.36 FC1=CC=C2OC=CC2=C1 SY045672 [1,0,0,0,0,0|2,0,1]=4 67 B11R2.36 FC1=CC=C2OC=NC2=C1 SY018733 [1,0,0,0,0,0|3,0,0]=4 68 B11R2.36 FC1=CC=C2OCOC2=C1 SY059734 [1,0,0,0,0,0|3,0,0]=4 69 B11R2.36 NC1=CC=C2OCCC2=C1 SY010729 [1,0,0,0,0,0|3,0,0]=4 70 B13R2.662 O\N=C1/CCC2=C1C=CC(Br)=C2 SY249641 [0,1,0,0,0,0|2,1,0]=4 71 B13R2.2130 COC1=CC2=C(C=C1)C(=O)OC2 SY103866 [0,1,0,0,0,0|2,0,1]=4 72 B13R2.2130 N#CC1=CC2=C(C=C1)C(=O)OC2 SY051382 [0,1,0,0,0,0|2,0,1]=4 73 B13R2.5180 CC1=C(F)C=CC2=C(N)ON=C12 SY298570 [0,1,0,0,0,0|3,0,0]=4 74 B13R2.5180 NC1=C2C=CC(F)=C(F)C2=NO1 SY298689 [0,1,0,0,0,0|3,0,0]=4 75 B13R2.5180 O=C1CCC2=C1C=CC(F)=C2F SY047083 [0,1,0,0,0,0|2,0,1]=4 76 B13R2.5187 O=C1OC(=O)C2=CC(F)=CC=C12 SY045297 [0,1,0,0,0,0|1,0,2]=4 77 B13R2.11634 NC1=C2C=C(Br)C(F)=CC2=NO1 SY298575 [0,1,0,0,0,0|3,0,0]=4 78 B13R2.11634 NC1=C2C=C(F)C(F)=CC2=NO1 SY298696 [0,1,0,0,0,0|3,0,0]=4 79 B13R2.11634 O=C1CCC2=C1C=C(F)C(F)=C2 SY067297 [0,1,0,0,0,0|2,0,1]=4 80 B13R2.11642 NC1=C2C(F)=CC(F)=CC2=NO1 SY298580 [0,1,0,0,0,0|3,0,0]=4 81 B13R2.11642 O=C1CCC2=C1C(F)=CC(F)=C2 SY110642 [0,1,0,0,0,0|2,0,1]=4 82 B13R2.11642 O=C1CCC2=CC(F)=CC(Br)=C12 SY020446 [0,1,0,0,0,0|2,0,1]=4 83 B11R1.22 C#CC(O)C1=CC=C(F)C=C1 SY045245 [0,0,1,0,0,0|2,0,1]=4 84 B11R1.22 COC(=N)C1=CC=C(Br)C=C1 SY028781 [0,0,1,0,0,0|2,1,0]=4 85 B11R1.22 COC(=O)C1=CC=C(Br)C=C1 SY001702 [0,0,1,0,0,0|1,1,1]=4 86 B11R1.22 COC(=O)C1=CC=C(Cl)C=C1 SY017140 [0,0,1,0,0,0|1,1,1]=4 87 B11R1.22 COC(=O)C1=CC=C(F)N=C1 SY022281 [0,0,1,0,0,0|2,0,1]=4 88 B11R1.22 COC(=O)C1=CC=C(O)C=C1 SY006626 [0,0,1,0,0,0|2,0,1]=4 89 B11R1.22 COC(=O)C1=NC=C(F)C=C1 SY096916 [0,0,1,0,0,0|2,0,1]=4 90 B11R1.24 CCNCC1=CC=CC(F)=C1 SY002642 [0,0,1,0,0,0|3,0,0]=4 91 B11R1.24 CNCCC1=CC=CC(F)=C1 SY002844 [0,0,1,0,0,0|3,0,0]=4 92 B11R1.37 COC1=CC=C(Br)C=C1CO SY034750 [0,0,1,0,0,0|2,1,0]=4 93 B11R1.37 COC1=CC=C(F)C=C1CO SY025581 [0,0,1,0,0,0|2,0,0]=3 94 B11R1.37 N#CC1=CC=C(F)C=C1CBr SY013096 [0,0,1,0,0,0|3,0,0]=4 95 B11R1.37 OCC1=CC=C(Br)C=C1CO SY103444 [0,0,1,0,0,0|1,1,0]=3 96 B11R1.37 OCC1=CC=C(Cl)N=C1CO SY036823 [0,0,1,0,0,0|2,1,0]=4 97 B11R1.166 CC1=C(B(O)O)C=CC(F)=C1 SY007804 [0,0,1,0,0,0|0,0,0]=1 98 B11R1.166 CC1=C(B(O)O)C=CC(F)=N1 SY022313 [0,0,1,0,0,0|1,0,0]=2 99 B11R1.166 CC1=C(B(O)O)C=NC(Cl)=C1 SY022317 [0,0,1,0,0,0|1,1,0]=3 100 B11R1.166 CC1=C(C(=O)O)C=CC(F)=N1 SY022260 [0,0,1,0,0,0|2,0,1]=4 101 B11R1.166 CC1=C(C(=O)O)C=CC(N)=C1 SY003329 [0,0,1,0,0,0|2,0,1]=4 102 B11R1.166 CC1=CC(Br)=CC=C1B(O)O SY103776 [0,0,1,0,0,0|0,1,0]=2 103 B11R1.166 CC1=CC(Br)=CC=C1C(=O)O SY004437 [0,0,1,0,0,0|1,1,1]=4 104 B11R1.166 CC1=CC(C)=C(B(O)O)C=C1 SY014633 [0,0,1,0,0,0|1,0,0]=2 105 B11R1.166 CC1=CC(Cl)=CC=C1C(=O)O SY017097 [0,0,1,0,0,0|1,1,1]=4 106 B11R1.166 CC1=CC(F)=C(B(O)O)C=C1 SY018047 [0,0,1,0,0,0|2,0,0]=3 107 B11R1.166 CC1=CC(F)=CC=C1C(=O)O SY006136 [0,0,1,0,0,0|1,0,1]=3 108 B11R1.166 CC1=CC(F)=CC=C1C(F)F SY265664 [0,0,1,0,0,0|3,0,0]=4 109 B11R1.166 CC1=CC(F)=CN=C1C(=O)O SY268386 [0,0,1,0,0,0|2,0,1]=4 110 B11R1.166 CC1=CC(F)=NC=C1B(O)O SY022312 [0,0,1,0,0,0|1,0,0]=2 111 B11R1.166 CC1=CC(F)=NC=C1C(=O)O SY065570 [0,0,1,0,0,0|2,0,1]=4 112 B11R1.166 CC1=CC(I)=CC=C1C(=O)O SY020057 [0,0,1,0,0,0|1,1,1]=4 113 B11R1.166 CC1=CC(O)=CC=C1C(=O)O SY014356 [0,0,1,0,0,0|2,0,1]=4 114 B11R1.166 CC1=CC=C(B(O)O)C(C)=N1 SY029371 [0,0,1,0,0,0|2,0,0]=3 115 B11R1.166 CC1=CC=C(B(O)O)C(Cl)=C1 SY014700 [0,0,1,0,0,0|2,0,0]=3 116 B11R1.166 CC1=CC=C(B(O)O)C(O)=N1 SY029537 [0,0,1,0,0,0|3,0,0]=4 117 B11R1.166 CC1=CC=C(C(=O)O)C(C)=C1 SY002565 [0,0,1,0,0,0|2,0,1]=4 118 B11R1.166 CC1=NC(Cl)=CC=C1B(O)O SY022316 [0,0,1,0,0,0|1,1,0]=3 119 B11R1.166 CC1=NC(O)=CC=C1B(O)O SY029536 [0,0,1,0,0,0|2,0,0]=3 120 B11R1.166 NC1=CC(F)=CC=C1C(=O)O SY001835 [0,0,1,0,0,0|2,0,1]=4 121 B11R1.166 O=C(O)C1=C(Cl)C=C(F)C=C1 SY005366 [0,0,1,0,0,0|2,0,1]=4 122 B11R1.166 O=C(O)C1=C(F)C=C(F)C=C1 SY003827 [0,0,1,0,0,0|2,0,1]=4 123 B11R1.166 O=C(O)C1=C(O)C=C(F)C=C1 SY012802 [0,0,1,0,0,0|2,0,1]=4 124 B11R1.166 O=C(O)C1=CC=C(F)C=C1Br SY011499 [0,0,1,0,0,0|2,0,1]=4 125 B11R1.166 O=C(O)C1=CC=C(F)C=C1I SY047057 [0,0,1,0,0,0|2,0,1]=4 126 B11R1.166 OB(O)C1=C(Cl)C=C(F)C=C1 SY019956 [0,0,1,0,0,0|1,0,0]=2 127 B11R1.166 OB(O)C1=C(F)C=C(Cl)C=C1 SY018837 [0,0,1,0,0,0|1,1,0]=3 128 B11R1.166 OB(O)C1=CC=C(Br)C=C1Cl SY105378 [0,0,1,0,0,0|1,1,0]=3 129 B11R1.166 OB(O)C1=CC=C(Br)C=C1F SY024487 [0,0,1,0,0,0|1,1,0]=3 130 B11R1.166 OB(O)C1=CC=C(Cl)C=C1Cl SY014919 [0,0,1,0,0,0|1,1,0]=3 131 B11R1.166 OB(O)C1=CC=C(Cl)C=C1O SY226886 [0,0,1,0,0,0|1,1,0]=3 132 B11R1.166 OB(O)C1=CC=C(Cl)N=C1Cl SY023633 [0,0,1,0,0,0|2,1,0]=4 133 B11R1.166 OB(O)C1=CC=C(F)C=C1F SY005771 [0,0,1,0,0,0|1,0,0]=2 134 B11R1.166 OB(O)C1=CC=C(F)C=C1O SY058760 [0,0,1,0,0,0|1,0,0]=2 135 B11R1.166 OB(O)C1=CC=C(F)N=C1F SY022309 [0,0,1,0,0,0|2,0,0]=3 136 B13R2.3683 CC1=CC=C2NC(=O)OCC2=C1 SY129172 [0,0,0,0,0,1|2,0,1]=4 137 B13R2.3683 NC1=CC=C2NC(=O)OCC2=C1 SY129160 [0,0,0,0,0,1|2,0,1]=4 138 B13R2.3683 O=C1NC2=CC=C(Br)C=C2CO1 SY059722 [0,0,0,0,0,1|1,1,1]=4 139 B13R2.3683 O=C1NC2=CC=C(F)C=C2CO1 SY129151 [0,0,0,0,0,1|1,0,1]=3 140 B13R2.3683 O=C1NC2=CC=C(I)C=C2CO1 SY129171 [0,0,0,0,0,1|1,1,1]=4 141 B13R2.3683 OC1=CC=C2C=C(F)C=CC2=C1 SY261520 [0,0,0,0,0,1|2,0,1]=4 142 B13R2.5179 NC1COCC2=CC(Br)=CC=C21 SY257848 [0,0,0,0,0,1|2,1,0]=4 143 B13R2.5179 O=C1CCCC2=C1C=CC(F)=C2 SY033451 [0,0,0,0,0,1|2,0,1]=4 144 B13R2.5179 O=C1CCOC2=C1C=CC(F)=C2 SY032000 [0,0,0,0,0,1|2,0,1]=4 145 B13R2.5179 O=C1COCC2=C1C=CC(Br)=C2 SY124506 [0,0,0,0,0,1|1,1,1]=4 146 B13R2.5179 O=C1NCCC2=C1C=CC(F)=C2 SY123746 [0,0,0,0,0,1|2,0,1]=4 147 B13R2.5179 OC1=C2C=CC(F)=CC2=NC=N1 SY038673 [0,0,0,0,0,1|2,0,1]=4 148 B13R2.5179 OC1COCC2=C1C=CC(Br)=C2 SY300524 [0,0,0,0,0,1|1,1,0]=3 149 B10R1.1 CNCC1=CC=C(F)C=C1 SY002630 [1,0,1,0,0,0|2,0,0]=4 150 B10R1.1 COCC1=CC=C(N)C=C1 SY003771 [1,0,1,0,0,0|2,0,0]=4 151 B10R1.1 COCC1=CC=C(O)C=C1 SY026430 [1,0,1,0,0,0|2,0,0]=4 152 B10R1.1 NOCC1=CC=C(F)C=C1 SY246091 [1,0,1,0,0,0|2,0,0]=4 153 B10R1.13 C1=CC(F)=CC=C1N(C)C SY246298 [1,0,1,0,0,0|2,0,0]=4 154 B10R1.13 C=C(C)C1=CC=C(F)C=C1 SY048549 [1,0,1,0,0,0|2,0,0]=4 155 B10R1.13 CC(Cl)C1=CC=C(F)C=C1 SY029740 [1,0,1,0,0,0|2,0,0]=4 156 B10R1.13 CC(N)C1=CC=C(F)C=C1 SY002633 [1,0,1,0,0,0|2,0,0]=4 157 B10R1.13 CC(O)C1=CC=C(Br)C=C1 SY005047 [1,0,1,0,0,0|1,1,0]=4 158 B10R1.13 CC(O)C1=CC=C(Cl)C=C1 SY005059 [1,0,1,0,0,0|1,1,0]=4 159 B10R1.13 CC(O)C1=CC=C(F)C=C1 SY005049 [1,0,1,0,0,0|1,0,0]=3 160 B10R1.13 CC1=CC=C(B(O)O)C=C1 SY002147 [1,0,1,0,0,0|1,0,0]=3 161 B10R1.13 CC1=CC=C(C(C)O)C=C1 SY005050 [1,0,1,0,0,0|2,0,0]=4 162 B10R1.13 CC1=NC=C(B(O)O)C=C1 SY019413 [1,0,1,0,0,0|2,0,0]=4 163 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 SY007454 [1,0,1,0,0,0|2,0,0]=4 164 B10R1.13 C[C@@H](O)C1=CC=C(Br)C=C1 SY024772 [1,0,1,0,0,0|1,1,0]=4 165 B10R1.13 C[C@@H](O)C1=CC=C(Cl)C=C1 SY116631 [1,0,1,0,0,0|1,1,0]=4 166 B10R1.13 C[C@@H](O)C1=CC=C(F)C=C1 SY009324 [1,0,1,0,0,0|1,0,0]=3 167 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 SY007451 [1,0,1,0,0,0|2,0,0]=4 168 B10R1.13 C[C@H](O)C1=CC=C(Br)C=C1 SY024771 [1,0,1,0,0,0|1,1,0]=4 169 B10R1.13 C[C@H](O)C1=CC=C(F)C=C1 SY009323 [1,0,1,0,0,0|1,0,0]=3 170 B10R1.13 NC1=CC=C(B(O)O)C=C1 SY017592 [1,0,1,0,0,0|1,0,0]=3 171 B10R1.13 NC1=CC=C(B(O)O)C=N1 SY029321 [1,0,1,0,0,0|2,0,0]=4 172 B10R1.13 NC1=CC=C(B(O)O)C=N1 SY157617 [1,0,1,0,0,0|2,0,0]=4 173 B10R1.13 O=C(O)C1=CC=C(F)C=C1 SY001592 [1,0,1,0,0,0|1,0,1]=4 174 B10R1.13 OB(O)C1=CC=C(Br)C=C1 SY013412 [1,0,1,0,0,0|0,1,0]=3 175 B10R1.13 OB(O)C1=CC=C(Br)N=C1 SY017261 [1,0,1,0,0,0|1,1,0]=4 176 B10R1.13 OB(O)C1=CC=C(Cl)C=C1 SY004529 [1,0,1,0,0,0|0,1,0]=3 177 B10R1.13 OB(O)C1=CC=C(F)C=C1 SY004349 [1,0,1,0,0,0|0,0,0]=2 178 B10R1.13 OB(O)C1=CC=C(F)N=C1 SY022130 [1,0,1,0,0,0|1,0,0]=3 179 B10R1.13 OB(O)C1=CC=C(I)C=C1 SY022131 [1,0,1,0,0,0|0,1,0]=3 180 B10R1.13 OB(O)C1=CC=C(O)C=C1 SY002870 [1,0,1,0,0,0|1,0,0]=3 181 B10R1.13 OB(O)C1=CC=C(O)N=C1 SY031077 [1,0,1,0,0,0|2,0,0]=4 182 B10R1.13 OB(O)C1=CN=C(Cl)C=C1 SY005490 [1,0,1,0,0,0|1,1,0]=4 183 B10R1.13 OB(O)C1=NC=C(Br)C=C1 SY047778 [1,0,1,0,0,0|1,1,0]=4 184 B10R1.13 OB(O)C1=NC=C(Cl)C=C1 SY009369 [1,0,1,0,0,0|1,1,0]=4 185 B10R1.15 CCC(O)C1=CC=CC=C1 SY020321 [1,0,1,0,0,0|2,0,0]=4 186 B10R1.15 COS(=O)C1=CC=CC=C1 SY050665 [1,0,1,0,0,0|1,0,1]=4 187 B10R1.10 CC1=CC(CCO)=CC=C1 SY051329 [1,0,1,0,0,0|2,0,0]=4 188 B10R1.10 CC1=CC(CON)=CC=C1 SY281673 [1,0,1,0,0,0|2,0,0]=4 189 B10R1.10 CC1=CC(CON)=CC=C1 SY281674 [1,0,1,0,0,0|2,0,0]=4 190 B10R1.10 CNCC1=CC=CC(F)=C1 SY002641 [1,0,1,0,0,0|2,0,0]=4 191 B10R1.10 COCC1=CC=CC(N)=C1 SY003772 [1,0,1,0,0,0|2,0,0]=4 192 B10R1.10 FC1=CC(CCBr)=CC=C1 SY035660 [1,0,1,0,0,0|2,0,0]=4 193 B10R1.10 FC1=CC=CC(OCCl)=C1 SY298336 [1,0,1,0,0,0|2,0,0]=4 194 B10R1.10 NC1=CC(CCO)=CC=C1 SY076026 [1,0,1,0,0,0|2,0,0]=4 195 B10R1.10 NNCC1=CC=CC(F)=C1 SY048077 [1,0,1,0,0,0|2,0,0]=4 196 B10R1.10 NOCC1=CC=CC(Br)=C1 SY281696 [1,0,1,0,0,0|1,1,0]=4 197 B10R1.10 NOCC1=CC=CC(Br)=C1 SY281697 [1,0,1,0,0,0|1,1,0]=4 198 B10R1.10 NOCC1=CC=CC(F)=C1 SY281567 [1,0,1,0,0,0|1,0,0]=3 199 B10R1.10 NOCC1=CC=CC(I)=C1 SY281770 [1,0,1,0,0,0|1,1,0]=4 200 B10R1.10 NOCC1=CC=CC(I)=C1 SY281771 [1,0,1,0,0,0|1,1,0]=4 201 B10R1.10 OCCC1=CC(Br)=CC=C1 SY006105 [1,0,1,0,0,0|1,1,0]=4 202 B10R1.10 OCCC1=CC(Cl)=CC=C1 SY005019 [1,0,1,0,0,0|1,1,0]=4 203 B10R1.10 OCCC1=CC(F)=CC=C1 SY015136 [1,0,1,0,0,0|1,0,0]=3 204 B10R1.10 OCCC1=CC=CC(O)=C1 SY011808 [1,0,1,0,0,0|2,0,0]=4 205 B10R1.17 C=COCC1=CC=CC=C1 SY097145 [1,0,1,0,0,0|2,0,0]=4 206 B10R1.17 ClCOCC1=CC=CC=C1 SY003069 [1,0,1,0,0,0|2,0,0]=4 207 B10R1.17 OCCCC1=CC=CC=C1 SY003672 [1,0,1,0,0,0|2,0,0]=4 208 B10R1.20 COC1=C(CO)C=CC=C1 SY019123 [1,0,1,0,0,0|2,0,0]=4 209 B10R1.20 N#CC1=CC=CC=C1CO SY025433 [1,0,1,0,0,0|2,0,0]=4 210 B10R1.20 NCC1=CC=CC=C1CO SY021933 [1,0,1,0,0,0|2,0,0]=4 211 B10R1.20 OCC1=CC=CC=C1CO SY026742 [1,0,1,0,0,0|1,0,0]=3 212 B10R1.25 CC1=C(C#N)C=CC(F)=C1 SY004460 [1,0,1,0,0,0|2,0,0]=4 213 B10R1.25 CC1=CC(F)=CC=C1C=O SY002362 [1,0,1,0,0,0|1,0,1]=4 214 B10R1.25 CC1=CC(F)=CC=C1ON SY282093 [1,0,1,0,0,0|2,0,0]=4 215 B10R1.25 CC1=CC(F)=CC=C1ON SY282094 [1,0,1,0,0,0|2,0,0]=4 216 B10R1.25 CC1=CC(N)=CC=C1CO SY026487 [1,0,1,0,0,0|2,0,0]=4 217 B10R1.25 CC1=CC=C(CO)C(C)=C1 SY049649 [1,0,1,0,0,0|2,0,0]=4 218 B10R1.25 COC1=C(O)C=C(F)C=C1 SY018596 [1,0,1,0,0,0|2,0,0]=4 219 B10R1.25 COC1=CC=C(F)C=C1C SY040560 [1,0,1,0,0,0|2,0,0]=4 220 B10R1.25 NC1=CC(F)=CC=C1CO SY129161 [1,0,1,0,0,0|2,0,0]=4 221 B10R1.25 O=CC1=CC=C(F)C=C1O SY030946 [1,0,1,0,0,0|1,0,1]=4 222 B10R1.25 OCC1=C(Br)C=C(F)C=C1 SY018199 [1,0,1,0,0,0|2,0,0]=4 223 B10R1.25 OCC1=C(Cl)C=C(F)C=C1 SY003745 [1,0,1,0,0,0|2,0,0]=4 224 B10R1.25 OCC1=C(F)C=C(F)C=C1 SY016333 [1,0,1,0,0,0|2,0,0]=4 225 B10R1.30 CC1=CC=C(Br)C=C1CO SY153594 [1,0,1,0,0,0|1,1,0]=4 226 B10R1.30 CC1=CC=C(I)C=C1CO SY225927 [1,0,1,0,0,0|1,1,0]=4 227 B10R1.30 CC1=CC=C(N)C(CO)=C1 SY005374 [1,0,1,0,0,0|2,0,0]=4 228 B10R1.30 CC1=CC=C(O)C=C1CO SY026141 [1,0,1,0,0,0|2,0,0]=4 229 B10R1.30 COC1=CC(F)=CC=C1O SY027495 [1,0,1,0,0,0|2,0,0]=4 230 B10R1.30 FC1=CC=C(Br)C(CCl)=C1 SY021377 [1,0,1,0,0,0|2,0,0]=4 231 B10R1.30 N#CC1=CC(F)=CC=C1O SY026609 [1,0,1,0,0,0|1,0,1]=4 232 B10R1.30 NC1=CC=C(Br)C=C1CO SY028919 [1,0,1,0,0,0|1,1,0]=4 233 B10R1.30 NC1=CC=C(Cl)C=C1CO SY107394 [1,0,1,0,0,0|1,1,0]=4 234 B10R1.30 NC1=CC=C(F)C(CO)=C1 SY056872 [1,0,1,0,0,0|2,0,0]=4 235 B10R1.30 NC1=CC=C(F)C=C1CO SY129144 [1,0,1,0,0,0|1,0,0]=3 236 B10R1.30 NC1=CC=C(I)C=C1CO SY129170 [1,0,1,0,0,0|1,1,0]=4 237 B10R1.30 NCC1=C(F)C=CC(F)=C1 SY012519 [1,0,1,0,0,0|2,0,0]=4 238 B10R1.30 NCC1=CC(F)=CC=C1Br SY025143 [1,0,1,0,0,0|2,0,0]=4 239 B10R1.30 NCC1=CC(F)=CC=C1Br SY025505 [1,0,1,0,0,0|2,0,0]=4 240 B10R1.30 O=CC1=C(O)C=CC(F)=C1 SY003760 [1,0,1,0,0,0|0,0,2]=4 241 B10R1.30 OCC1=C(Br)C=CC(F)=C1 SY014474 [1,0,1,0,0,0|1,0,0]=3 242 B10R1.30 OCC1=C(O)C=CC(Br)=C1 SY017692 [1,0,1,0,0,0|0,1,0]=3 243 B10R1.30 OCC1=CC(Br)=CC=C1Cl SY025163 [1,0,1,0,0,0|1,1,0]=4 244 B10R1.30 OCC1=CC(Br)=CC=C1F SY101274 [1,0,1,0,0,0|1,1,0]=4 245 B10R1.30 OCC1=CC(Cl)=CC=C1Br SY021843 [1,0,1,0,0,0|1,1,0]=4 246 B10R1.30 OCC1=CC(F)=NC=C1Br SY272159 [1,0,1,0,0,0|2,0,0]=4 247 B10R1.30 OCC1=CC(I)=CC=C1Br SY110675 [1,0,1,0,0,0|1,1,0]=4 248 B10R1.30 OCC1=NC(F)=CC=C1Br SY156787 [1,0,1,0,0,0|2,0,0]=4 249 B10R1.61 CC1=C(B(O)O)C=CN=C1 SY024861 [1,0,1,0,0,0|1,0,0]=3 250 B10R1.61 CC1=C(B(O)O)C=NC=C1 SY009608 [1,0,1,0,0,0|1,0,0]=3 251 B10R1.61 CC1=C(C(=O)O)C=CC=C1 SY008811 [1,0,1,0,0,0|1,0,1]=4 252 B10R1.61 CC1=C(C(C)O)C=CC=C1 SY005056 [1,0,1,0,0,0|2,0,0]=4 253 B10R1.61 CC1=CC=CC=C1B(O)O SY002865 [1,0,1,0,0,0|0,0,0]=2 254 B10R1.61 CC1=NC=CC=C1B(O)O SY013012 [1,0,1,0,0,0|1,0,0]=3 255 B10R1.61 CC1=NC=CC=C1B(O)O SY110016 [1,0,1,0,0,0|1,0,0]=3 256 B10R1.61 NC1=CC=CC=C1B(O)O SY022327 [1,0,1,0,0,0|1,0,0]=3 257 B10R1.61 NC1=CC=CC=C1B(O)O SY037284 [1,0,1,0,0,0|1,0,0]=3 258 B10R1.61 OB(O)C1=C(Cl)C=CN=C1 SY255224 [1,0,1,0,0,0|2,0,0]=4 259 B10R1.61 OB(O)C1=C(Cl)C=NC=C1 SY019383 [1,0,1,0,0,0|2,0,0]=4 260 B10R1.61 OB(O)C1=CC=CC=C1Br SY032663 [1,0,1,0,0,0|1,0,0]=3 261 B10R1.61 OB(O)C1=CC=CC=C1Cl SY007772 [1,0,1,0,0,0|1,0,0]=3 262 B10R1.61 OB(O)C1=CC=CC=C1F SY001055 [1,0,1,0,0,0|1,0,0]=3 263 B10R1.61 OB(O)C1=CC=CC=C1O SY006783 [1,0,1,0,0,0|1,0,0]=3 264 B10R1.61 OB(O)C1=CC=CN=C1Br SY029992 [1,0,1,0,0,0|2,0,0]=4 265 B10R1.61 OB(O)C1=CC=CN=C1Cl SY014063 [1,0,1,0,0,0|2,0,0]=4 266 B10R1.61 OB(O)C1=CC=CN=C1F SY014062 [1,0,1,0,0,0|2,0,0]=4 267 B10R1.61 OB(O)C1=CC=CN=C1O SY031727 [1,0,1,0,0,0|2,0,0]=4 268 B10R2.7 C1=CC2=C(C=C1)CNC2 SY006502 [2,0,0,0,0,0|2,0,0]=4 269 B10R2.7 C1=CC2=C(C=C1)NCC2 SY012760 [2,0,0,0,0,0|2,0,0]=4 270 B10R2.7 C1=CC2=C(C=C1)OCC2 SY003884 [2,0,0,0,0,0|2,0,0]=4 271 B10R2.7 C1=CC2=NON=C2C=C1 SY049993 [2,0,0,0,0,0|2,0,0]=4 272 B10R2.7 C1=CC=C2CNCC2=C1 SY006104 [2,0,0,0,0,0|2,0,0]=4 273 B10R2.7 C1=CC=C2CSCC2=C1 SY143431 [2,0,0,0,0,0|1,1,0]=4 274 B12R1.12 COC(OC)C1=CC=C(Br)C=C1 SY024052 [0,1,1,0,0,0|1,1,0]=4 275 B12R1.16 CCOC(=O)C1=CC=C(F)C=C1 SY003268 [0,1,1,0,0,0|1,0,1]=4 276 B12R1.367 COC(=O)C1=CC(Br)=C(F)C=C1 SY007213 [0,1,1,0,0,0|1,0,1]=4 277 B12R1.367 COC(=O)C1=CC=C(F)C(C)=C1 SY008036 [0,1,1,0,0,0|1,0,1]=4 278 B12R1.367 COC(=O)C1=CC=C(F)C(Cl)=C1 SY011950 [0,1,1,0,0,0|1,0,1]=4 279 B12R1.367 COC(=O)C1=CC=C(F)C(F)=C1 SY007296 [0,1,1,0,0,0|1,0,1]=4 280 B12R1.367 COC(=O)C1=CC=C(F)C(N)=C1 SY006270 [0,1,1,0,0,0|1,0,1]=4 281 B12R1.1703 CCC(O)C1=CC=C(F)C=C1Br SY298767 [0,1,1,0,0,0|2,0,0]=4 282 B12R1.1703 COC(=O)C1=C(F)C=C(F)C=C1 SY016252 [0,1,1,0,0,0|1,0,1]=4 283 B12R1.1703 COC(=O)C1=CC=C(F)C=C1C SY024505 [0,1,1,0,0,0|1,0,1]=4 284 B12R1.1703 COC(=O)C1=CC=C(F)C=C1Cl SY007294 [0,1,1,0,0,0|1,0,1]=4 285 B12R1.1703 COC(=O)C1=CC=C(F)C=C1N SY006271 [0,1,1,0,0,0|1,0,1]=4 286 B12R1.1703 COC(=O)C1=CC=C(F)C=C1O SY012803 [0,1,1,0,0,0|1,0,1]=4 287 B12R1.28 OCCCOC1=CC=CC(F)=C1 SY046394 [0,1,1,0,0,0|2,0,0]=4 288 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 SY017727 [0,1,1,0,0,0|2,0,0]=4 289 B12R1.57 COC1=CC(F)=CC=C1B(O)O SY015716 [0,1,1,0,0,0|2,0,0]=4 290 B12R1.57 N#CC1=CC(F)=CC=C1B(O)O SY104705 [0,1,1,0,0,0|1,0,1]=4 291 B12R1.57 O=[N+]([O-])C1=CC=C(F)C=C1CO SY031097 [0,1,1,0,0,0|1,0,1]=4 292 B12R1.268 COC1=CC=C(F)C=C1CON SY281854 [0,1,1,0,0,0|2,0,0]=4 293 B12R1.268 COC1=CC=C(F)C=C1CON SY281855 [0,1,1,0,0,0|2,0,0]=4 294 B12R1.232 CC1=C(Br)C=C(B(O)O)C(F)=C1 SY036639 [0,1,1,0,0,0|2,0,0]=4 295 B12R1.232 CC1=C(C(=O)O)C=C(F)C(F)=C1 SY018280 [0,1,1,0,0,0|1,0,1]=4 296 B12R1.232 CC1=CC(C)=C(C)C=C1B(O)O SY110352 [0,1,1,0,0,0|1,0,0]=3 297 B12R1.232 OB(O)C1=C(F)C=C(F)C(F)=C1 SY009073 [0,1,1,0,0,0|1,0,0]=3 298 B12R1.232 OB(O)C1=CC(Br)=C(F)C=C1F SY254026 [0,1,1,0,0,0|1,0,0]=3 299 B12R1.232 OB(O)C1=CC(Cl)=C(F)C=C1F SY103919 [0,1,1,0,0,0|1,0,0]=3 300 B12R1.232 OB(O)C1=CC(F)=C(Br)C=C1F SY109232 [0,1,1,0,0,0|1,1,0]=4 301 B12R1.452 CC1=CC(C#N)=CC=C1B(O)O SY029512 [0,1,1,0,0,0|1,0,0]=3 302 B12R1.452 COC1=CC=C(B(O)O)C(C)=C1 SY022825 [0,1,1,0,0,0|1,0,0]=3 303 B12R1.452 COC1=CC=C(B(O)O)C(C)=N1 SY029535 [0,1,1,0,0,0|2,0,0]=4 304 B12R1.452 COC1=CC=C(B(O)O)C(Cl)=C1 SY019957 [0,1,1,0,0,0|2,0,0]=4 305 B12R1.452 N#CC1=CC=C(B(O)O)C(Cl)=C1 SY025123 [0,1,1,0,0,0|2,0,0]=4 306 B12R1.452 N#CC1=CC=C(B(O)O)C(F)=C1 SY032566 [0,1,1,0,0,0|2,0,0]=4 307 B12R1.452 O=CC1=CC=C(B(O)O)C(Cl)=C1 SY104656 [0,1,1,0,0,0|2,0,0]=4 308 B12R1.452 O=CC1=CC=C(B(O)O)C(F)=C1 SY027920 [0,1,1,0,0,0|2,0,0]=4 309 B12R1.893 CC1=C(F)C(F)=CC=C1C(=O)O SY110167 [0,1,1,0,0,0|1,0,1]=4 310 B12R1.893 OB(O)C1=C(F)C(F)=C(F)C=C1 SY009116 [0,1,1,0,0,0|1,0,0]=3 311 B12R1.893 OB(O)C1=CC=C(Br)C(I)=C1F SY253969 [0,1,1,0,0,0|1,1,0]=4 312 B12R1.893 OB(O)C1=CC=C(F)C(I)=C1F SY253970 [0,1,1,0,0,0|1,0,0]=3 313 B12R1.1000 CC1=CC(C)=C(B(O)O)C(C)=C1 SY018033 [0,1,1,0,0,0|1,0,0]=3 314 B12R1.1000 OB(O)C1=C(F)C=C(Br)C=C1F SY046535 [0,1,1,0,0,0|1,1,0]=4 315 B12R1.1000 OB(O)C1=C(F)C=C(F)C=C1Br SY163237 [0,1,1,0,0,0|1,0,0]=3 316 B12R1.1000 OB(O)C1=C(F)C=C(F)C=C1F SY050268 [0,1,1,0,0,0|1,0,0]=3 317 B12R2.1 OCC1=C2C=CC=CC2=NO1 SY246813 [1,1,0,0,0,0|2,0,0]=4 318 B12R2.1 OCC1CCC2=C1C=CC=C2 SY030168 [1,1,0,0,0,0|2,0,0]=4 319 B12R2.18 O[C@@H]1C2=C(C=CC=C2)C[C@H]1Br SY015553 [1,1,0,0,0,0|2,0,0]=4 320 B12R2.132 NC1=CC=C2COB(O)C2=C1 SY019245 [1,1,0,0,0,0|0,0,0]=2 321 B12R2.132 O=C1OCC2=C1C=C(Br)C=C2 SY030534 [1,1,0,0,0,0|1,0,1]=4 322 B12R2.132 OC1CCC2=C1C=C(Br)C=C2 SY115499 [1,1,0,0,0,0|2,0,0]=4 323 B12R2.196 O=C1OCC2=C(Br)C=CC=C12 SY110693 [1,1,0,0,0,0|1,0,1]=4 324 B12R2.196 O=C1OCC2=C1C=CC=C2Cl SY001014 [1,1,0,0,0,0|1,0,1]=4 325 B12R2.196 O=C1OCC2=C1C=CC=C2O SY274862 [1,1,0,0,0,0|1,0,1]=4 326 B12R2.203 O=C1OCC2=C1C(Br)=CC=C2 SY272662 [1,1,0,0,0,0|1,0,1]=4 327 B12R2.203 O=C1OCC2=C1C(Cl)=CC=C2 SY001015 [1,1,0,0,0,0|1,0,1]=4 328 B12R2.2028 CC1OB(O)C2=CC=CC=C21 SY274016 [1,1,0,0,0,0|0,0,0]=2 329 B12R2.2028 O=C1OC(Br)C2=C1C=CC=C2 SY036169 [1,1,0,0,0,0|1,0,1]=4 330 B12R2.2028 O=C1OC(O)C2=C1C=CC=C2 SY270554 [1,1,0,0,0,0|1,0,1]=4 331 B12R2.2028 O=C1O[IH2](O)C2=CC=CC=C12 SY041374 [1,1,0,0,0,0|1,0,1]=4 332 B12R2.2403 CC1(C)OCC2=C1C=CC=C2 SY275437 [1,1,0,0,0,0|2,0,0]=4 333 B12R2.606 CC1CC2=C(C=CC(F)=C2)N1 SY034702 [1,1,0,0,0,0|2,0,0]=4 334 B12R2.606 O=C1CC2=C(C=CC(F)=C2)N1 SY002547 [1,1,0,0,0,0|2,0,0]=4 335 B14R2.8235 O=C1NC2=C(F)C=C(F)C=C2CO1 SY129206 [0,1,0,0,0,1|1,0,1]=4 336 B14R2.8239 O=C1NC2=CC(F)=C(F)C=C2CO1 SY129192 [0,1,0,0,0,1|1,0,1]=4 337 B14R2.5719 O=C(O)C1=CC=C2B(O)OCC2=C1 SY165792 [0,2,0,0,0,0|1,0,0]=3 338 B12R3.12 C1=CC2=C(C=C1)C3OC3C2 SY272668 [1,0,0,1,0,0|2,0,0]=4 339 B10R2.320 O=C1CC2=CC=CC=C12 SY031738 [1,0,0,0,1,0|1,0,1]=4 340 B10R2.31 BrC1=CC=C2CCC2=C1 SY030306 [1,0,0,0,1,0|1,1,0]=4 341 B12R1.49 COC(=O)CC1=CC=C(F)C=C1 SY041951 [0,0,1,0,0,1|1,0,1]=4