0 B13R1.17 C1=CC(=CC=C1C(=O)CCCCl)F C108051 [0,0,0,0,0,0|3,0,0]=3 1 B13R1.17 C1=CC(=CC=C1C(=O)OCCO)O H157339 [0,0,0,0,0,0|1,0,0]=1 2 B13R1.17 C1=CC(=NC=C1Cl)C(=O)NCCN L287023 [0,0,0,0,0,0|4,0,0]=4 3 B13R1.17 C1=CC(=NC=C1Cl)C(=O)NCCN L418544 [0,0,0,0,0,0|4,0,0]=4 4 B13R1.17 C1=CC(=NC=C1Cl)C(=O)NCCN L420435 [0,0,0,0,0,0|4,0,0]=4 5 B13R1.17 C=CCOC(=O)C1=CC=C(C=C1)O A151097 [0,0,0,0,0,0|0,0,2]=2 6 B13R1.17 CCCCC(=O)C1=CC=C(C=C1)Br B133573 [0,0,0,0,0,0|2,0,0]=2 7 B13R1.17 CCCCC(=O)C1=CC=C(C=C1)Cl C133286 [0,0,0,0,0,0|2,0,0]=2 8 B13R1.17 CCCCC(=O)C1=CC=C(C=C1)O H103147 [0,0,0,0,0,0|1,0,0]=1 9 B13R1.17 CCCOC(=O)C1=CC=C(C=C1)C D292379 [0,0,0,0,0,0|1,0,0]=1 10 B13R1.17 CCCOC(=O)C1=CC=C(C=C1)C D292396 [0,0,0,0,0,0|1,0,0]=1 11 B13R1.17 CCCOC(=O)C1=CC=C(C=C1)C D292404 [0,0,0,0,0,0|1,0,0]=1 12 B13R1.17 CCCOC(=O)C1=CC=C(C=C1)C D347531 [0,0,0,0,0,0|1,0,0]=1 13 B13R1.17 CCCOC(=O)C1=CC=C(C=C1)N P160146 [0,0,0,0,0,0|1,0,0]=1 14 B13R1.17 CCCOC(=O)C1=CC=C(C=C1)O P105152 [0,0,0,0,0,0|0,0,0]=0 15 B13R1.17 CCCOC(=O)C1=CC=C(C=C1)O P105155 [0,0,0,0,0,0|0,0,0]=0 16 B13R1.17 CCCOC(=O)C1=CC=C(C=C1)O P105157 [0,0,0,0,0,0|0,0,0]=0 17 B13R1.17 CCCOC(=O)C1=CC=C(C=C1)O P427012 [0,0,0,0,0,0|0,0,0]=0 18 B13R1.17 CCCOC(=O)C1=CC=C(C=C1)[O-] P101304 [0,0,0,0,0,0|0,0,1]=1 19 B12R1.1 CCCCCC1=CC=C(C=C1)Br P115517 [1,0,0,0,0,0|2,0,1]=4 20 B12R1.1 CCCCCC1=CC=C(C=C1)N A151044 [1,0,0,0,0,0|2,0,1]=4 21 B12R1.1 CCCCCC1=CC=C(C=C1)O A131897 [1,0,0,0,0,0|1,0,1]=3 22 B12R1.1 CCCCOC1=CC=C(C=C1)N B151816 [1,0,0,0,0,0|3,0,0]=4 23 B12R1.1 CCCCOC1=CC=C(C=C1)O B152847 [1,0,0,0,0,0|2,0,0]=3 24 B12R1.16 C1=CC(=CC=C1C(=O)CC#N)Br B123303 [1,0,0,0,0,0|2,0,1]=4 25 B12R1.16 C1=CC(=CC=C1C(=O)CC#N)Cl C123305 [1,0,0,0,0,0|2,0,1]=4 26 B12R1.16 C1=CC(=CC=C1C(=O)CC#N)F F123307 [1,0,0,0,0,0|2,0,1]=4 27 B12R1.16 C1=CC(=CC=C1C(=O)CCCl)Br B123235 [1,0,0,0,0,0|2,0,0]=3 28 B12R1.16 C1=CC(=CC=C1C(=O)CCCl)Cl D137588 [1,0,0,0,0,0|2,0,0]=3 29 B12R1.16 C1=CC(=CC=C1C(=O)CCCl)F C123479 [1,0,0,0,0,0|2,0,0]=3 30 B12R1.16 CC1=CC=C(C=C1)C(=O)CC#N M186346 [1,0,0,0,0,0|2,0,1]=4 31 B12R1.16 CC1=CC=C(C=C1)C(=O)CCCl M123481 [1,0,0,0,0,0|2,0,0]=3 32 B12R1.16 CCCC(=O)C1=CC=C(C=C1)Cl C154065 [1,0,0,0,0,0|1,0,0]=2 33 B12R1.16 CCCC(=O)C1=CC=C(C=C1)F F194057 [1,0,0,0,0,0|1,0,0]=2 34 B12R1.16 CCCC(=O)C1=CC=C(C=C1)O H156888 [1,0,0,0,0,0|0,0,0]=1 35 B12R1.16 CCOC(=O)C1=CC=C(C=C1)Br E139030 [1,0,0,0,0,0|1,0,0]=2 36 B12R1.16 CCOC(=O)C1=CC=C(C=C1)C E102804 [1,0,0,0,0,0|1,0,0]=2 37 B12R1.16 CCOC(=O)C1=CC=C(C=C1)Cl E133577 [1,0,0,0,0,0|1,0,0]=2 38 B12R1.16 CCOC(=O)C1=CC=C(C=C1)F F102053 [1,0,0,0,0,0|1,0,0]=2 39 B12R1.16 CCOC(=O)C1=CC=C(C=C1)I E103133 [1,0,0,0,0,0|1,0,0]=2 40 B12R1.16 CCOC(=O)C1=CC=C(C=C1)N B339999 [1,0,0,0,0,0|1,0,0]=2 41 B12R1.16 CCOC(=O)C1=CC=C(C=C1)N B413165 [1,0,0,0,0,0|1,0,0]=2 42 B12R1.16 CCOC(=O)C1=CC=C(C=C1)N B422751 [1,0,0,0,0,0|1,0,0]=2 43 B12R1.16 CCOC(=O)C1=CC=C(C=C1)N D110733 [1,0,0,0,0,0|1,0,0]=2 44 B12R1.16 CCOC(=O)C1=CC=C(C=C1)N D274248 [1,0,0,0,0,0|1,0,0]=2 45 B12R1.16 CCOC(=O)C1=CC=C(C=C1)N D292253 [1,0,0,0,0,0|1,0,0]=2 46 B12R1.16 CCOC(=O)C1=CC=C(C=C1)N D397439 [1,0,0,0,0,0|1,0,0]=2 47 B12R1.16 CCOC(=O)C1=CC=C(C=C1)N D397448 [1,0,0,0,0,0|1,0,0]=2 48 B12R1.16 CCOC(=O)C1=CC=C(C=C1)N D397464 [1,0,0,0,0,0|1,0,0]=2 49 B12R1.16 CCOC(=O)C1=CC=C(C=C1)N D397468 [1,0,0,0,0,0|1,0,0]=2 50 B12R1.16 CCOC(=O)C1=CC=C(C=C1)N D397487 [1,0,0,0,0,0|1,0,0]=2 51 B12R1.16 CCOC(=O)C1=CC=C(C=C1)N D420136 [1,0,0,0,0,0|1,0,0]=2 52 B12R1.16 CCOC(=O)C1=CC=C(C=C1)N E107204 [1,0,0,0,0,0|1,0,0]=2 53 B12R1.16 CCOC(=O)C1=CC=C(C=C1)N E107205 [1,0,0,0,0,0|1,0,0]=2 54 B12R1.16 CCOC(=O)C1=CC=C(C=C1)N E427010 [1,0,0,0,0,0|1,0,0]=2 55 B12R1.16 CCOC(=O)C1=CC=C(C=C1)O C100456 [1,0,0,0,0,0|0,0,0]=1 56 B12R1.16 CCOC(=O)C1=CC=C(C=C1)O C128522 [1,0,0,0,0,0|0,0,0]=1 57 B12R1.16 CCOC(=O)C1=CC=C(C=C1)O C128525 [1,0,0,0,0,0|0,0,0]=1 58 B12R1.16 CCOC(=O)C1=CC=C(C=C1)O C128526 [1,0,0,0,0,0|0,0,0]=1 59 B12R1.16 CCOC(=O)C1=CC=C(C=C1)O C163049 [1,0,0,0,0,0|0,0,0]=1 60 B12R1.16 CCOC(=O)C1=CC=C(C=C1)O E105141 [1,0,0,0,0,0|0,0,0]=1 61 B12R1.16 CCOC(=O)C1=CC=C(C=C1)O E105142 [1,0,0,0,0,0|0,0,0]=1 62 B12R1.16 CCOC(=O)C1=CC=C(C=C1)O E105144 [1,0,0,0,0,0|0,0,0]=1 63 B12R1.16 CCOC(=O)C1=CC=C(C=C1)O E420899 [1,0,0,0,0,0|0,0,0]=1 64 B12R1.16 CCOC(=O)C1=CC=C(C=C1)[O-] S303517 [1,0,0,0,0,0|0,0,1]=2 65 B12R1.16 CCOC(=O)C1=CN=C(C=C1)Br B181171 [1,0,0,0,0,0|2,0,0]=3 66 B12R1.16 CCOC(=O)C1=CN=C(C=C1)C E175747 [1,0,0,0,0,0|2,0,0]=3 67 B12R1.16 CCOC(=O)C1=CN=C(C=C1)Cl E119969 [1,0,0,0,0,0|2,0,0]=3 68 B12R1.16 CCOC(=O)C1=CN=C(C=C1)N E170125 [1,0,0,0,0,0|2,0,0]=3 69 B12R1.16 CCOC(=O)C1=CN=C(C=N1)Cl E589405 [1,0,0,0,0,0|3,0,0]=4 70 B12R1.16 CCOC(=O)C1=CN=C(N=C1)C E175727 [1,0,0,0,0,0|3,0,0]=4 71 B12R1.16 CCOC(=O)C1=CN=C(N=C1)Cl E178082 [1,0,0,0,0,0|3,0,0]=4 72 B12R1.16 CCOC(=O)C1=CNC(=O)C=C1 H182312 [1,0,0,0,0,0|1,0,1]=3 73 B12R1.16 CCOC(=O)C1=NC=C(C=N1)Br E180035 [1,0,0,0,0,0|3,0,0]=4 74 B12R1.16 CCOC(=O)C1=NN=C(C=C1)Cl E186439 [1,0,0,0,0,0|3,0,0]=4 75 B12R1.16 CNCC(C1=CC=C(C=C1)O)O S107339 [1,0,0,0,0,0|1,0,2]=4 76 B12R1.16 CNCC(C1=CC=C(C=C1)O)O S107340 [1,0,0,0,0,0|1,0,2]=4 77 B12R1.16 CNCC(C1=CC=C(C=C1)O)O S129817 [1,0,0,0,0,0|1,0,2]=4 78 B12R1.16 CNCC(C1=CC=C(C=C1)O)O S161302 [1,0,0,0,0,0|1,0,2]=4 79 B12R1.16 CNCC(C1=CC=C(C=C1)O)O S427007 [1,0,0,0,0,0|1,0,2]=4 80 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 S408033 [1,0,0,0,0,0|1,0,2]=4 81 B12R1.30 C1=CC=C(C=C1)C(=O)OCCBr B152726 [1,0,0,0,0,0|1,0,0]=2 82 B12R1.30 C1=CC=C(C=C1)C(=O)OCCCl B140414 [1,0,0,0,0,0|1,0,0]=2 83 B12R1.30 C1=CC=NC(=C1)C(=O)NCCO N419977 [1,0,0,0,0,0|3,0,0]=4 84 B12R1.30 C=CCOC(=O)C1=CC=CC=C1 A151101 [1,0,0,0,0,0|0,0,2]=3 85 B12R1.30 CCCCC(=O)C1=CC=CC=C1 V107009 [1,0,0,0,0,0|1,0,0]=2 86 B12R1.30 CCCCC(C1=CC=CC=C1)O P160160 [1,0,0,0,0,0|1,0,2]=4 87 B12R1.30 CCCCC(C1=CC=CC=C1)O P424881 [1,0,0,0,0,0|1,0,2]=4 88 B12R1.30 CCCOC(=O)C1=CC=CC=C1 P160151 [1,0,0,0,0,0|0,0,0]=1 89 B14R1.10 COC(=O)CC(=O)C1=CC=C(C=C1)O M158717 [0,1,0,0,0,0|2,0,1]=4 90 B14R1.19 CCCCCC(=O)C1=CC=C(C=C1)C P587587 [0,1,0,0,0,0|2,0,0]=3 91 B14R1.19 CCCCCC(=O)C1=CC=C(C=C1)O H156990 [0,1,0,0,0,0|1,0,0]=2 92 B14R1.19 CCCCOC(=O)C1=CC=C(C=C1)N B102205 [0,1,0,0,0,0|1,0,0]=2 93 B14R1.19 CCCCOC(=O)C1=CC=C(C=C1)N B427020 [0,1,0,0,0,0|1,0,0]=2 94 B14R1.19 CCCCOC(=O)C1=CC=C(C=C1)O B108966 [0,1,0,0,0,0|0,0,0]=1 95 B14R1.19 CCCCOC(=O)C1=CC=C(C=C1)O B108967 [0,1,0,0,0,0|0,0,0]=1 96 B14R1.19 CCCCOC(=O)C1=CC=C(C=C1)O B108968 [0,1,0,0,0,0|0,0,0]=1 97 B14R1.19 CCCCOC(=O)C1=CC=C(C=C1)O B427021 [0,1,0,0,0,0|0,0,0]=1 98 B14R1.35 CCOC(=O)C(=O)C1=CC=C(C=C1)Br E357936 [0,1,0,0,0,0|3,0,0]=4 99 B14R1.35 CCOC(=O)C(=O)C1=CC=C(C=C1)C E589464 [0,1,0,0,0,0|3,0,0]=4 100 B14R1.35 CCOC(=O)C(=O)C1=CC=C(C=C1)Cl E192909 [0,1,0,0,0,0|3,0,0]=4 101 B14R1.125 CC1=CC=C(C=C1)S(=O)(=O)OCCCl C153676 [0,1,0,0,0,0|3,0,0]=4 102 B14R1.125 CC1=CC=C(C=C1)S(=O)(=O)OCCF F156661 [0,1,0,0,0,0|3,0,0]=4 103 B14R1.125 CC1=CC=C(C=C1)S(=O)(=O)OCCO M303704 [0,1,0,0,0,0|3,0,0]=4 104 B14R1.125 CCCOS(=O)(=O)C1=CC=C(C=C1)C P160252 [0,1,0,0,0,0|2,0,0]=3 105 B14R1.678 CC(C)COC(=O)C1=CC=C(C=C1)O I111810 [0,1,0,0,0,0|0,0,0]=1 106 B14R1.678 CC(C)COC(=O)C1=CC=C(C=C1)O I140599 [0,1,0,0,0,0|0,0,0]=1 107 B14R1.678 CN(C)CCC(=O)C1=CC=C(C=C1)Cl C294582 [0,1,0,0,0,0|3,0,0]=4 108 B14R1.2523 CCCCC(=O)C1=C(C=C(C=C1)Cl)Cl D135652 [0,1,0,0,0,0|2,0,0]=3 109 B14R2.68 C1CCC(CC1)C2=CC=C(C=C2)O C153437 [0,0,0,1,0,0|2,0,1]=4 110 B14R2.933 C1CC1NC(=O)C2=CC=C(C=C2)I W418241 [0,0,0,1,0,0|2,0,0]=3 111 B11R1.1 C1=CC(=CC=C1CCCO)O W132591 [2,0,0,0,0,0|1,0,1]=4 112 B11R1.1 C1=CC(=CC=C1OCCBr)Cl B152802 [2,0,0,0,0,0|2,0,0]=4 113 B11R1.1 C1=CC(=CC=C1OCCBr)F F136245 [2,0,0,0,0,0|2,0,0]=4 114 B11R1.1 C1=CC(=CC=C1OCCO)Br B140261 [2,0,0,0,0,0|2,0,0]=4 115 B11R1.1 C1=CC(=CC=C1OCCO)Cl C140392 [2,0,0,0,0,0|2,0,0]=4 116 B11R1.1 CC1=CC=C(C=C1)OCCO E140276 [2,0,0,0,0,0|2,0,0]=4 117 B11R1.1 CCCCC1=CC=C(C=C1)Br B115516 [2,0,0,0,0,0|1,0,1]=4 118 B11R1.1 CCCCC1=CC=C(C=C1)Cl B167540 [2,0,0,0,0,0|1,0,1]=4 119 B11R1.1 CCCCC1=CC=C(C=C1)I B124312 [2,0,0,0,0,0|1,0,1]=4 120 B11R1.1 CCCCC1=CC=C(C=C1)N B100731 [2,0,0,0,0,0|1,0,1]=4 121 B11R1.1 CCCCC1=CC=C(C=C1)O B152848 [2,0,0,0,0,0|0,0,1]=3 122 B11R1.1 CCCOC1=CC=C(C=C1)Br B138795 [2,0,0,0,0,0|1,0,0]=3 123 B11R1.1 CCCOC1=CC=C(C=C1)N P420032 [2,0,0,0,0,0|1,0,0]=3 124 B11R1.1 CCCOC1=CC=C(C=C1)O P132532 [2,0,0,0,0,0|0,0,0]=2 125 B11R1.1 CCOCC1=CC=C(C=C1)O E194029 [2,0,0,0,0,0|0,0,1]=3 126 B11R1.1 COCCC1=CC=C(C=C1)O M136398 [2,0,0,0,0,0|1,0,1]=4 127 B11R1.28 C1=CC=C(C=C1)COCCBr B107737 [2,0,0,0,0,0|1,0,1]=4 128 B11R1.28 C1=CC=C(C=C1)COCCCl B132425 [2,0,0,0,0,0|1,0,1]=4 129 B11R1.28 C1=CC=C(C=C1)COCCN B193115 [2,0,0,0,0,0|1,0,1]=4 130 B11R1.28 C1=CC=C(C=C1)COCCO B111396 [2,0,0,0,0,0|1,0,1]=4 131 B11R1.28 CCCC#CC1=CC=CC=C1 P404844 [2,0,0,0,0,0|1,0,1]=4 132 B11R1.28 CCCCCC1=CC=CC=C1 A151374 [2,0,0,0,0,0|1,0,1]=4 133 B11R1.28 CCCCNC1=CC=CC=C1 B140175 [2,0,0,0,0,0|2,0,0]=4 134 B11R1.28 CCCCNC1=CC=CC=C1 N590954 [2,0,0,0,0,0|2,0,0]=4 135 B11R1.28 CCCCOC1=CC=CC=C1 B153006 [2,0,0,0,0,0|2,0,0]=4 136 B11R1.28 CCCNCC1=CC=CC=C1 N191934 [2,0,0,0,0,0|1,0,1]=4 137 B11R1.16 C1=CC=C(C=C1)C(=O)CC#N B151981 [2,0,0,0,0,0|1,0,1]=4 138 B11R1.16 C1=CC=C(C=C1)C(=O)CCCl C154064 [2,0,0,0,0,0|1,0,0]=3 139 B11R1.16 C1=CC=C(C=C1)C(=O)OCCl C331582 [2,0,0,0,0,0|1,0,0]=3 140 B11R1.16 C=COC(=O)C1=CC=CC=C1 V162943 [2,0,0,0,0,0|0,0,2]=4 141 B11R1.16 CC=CC(=O)C1=CC=CC=C1 P122944 [2,0,0,0,0,0|0,0,2]=4 142 B11R1.16 CCCC(=O)C1=CC=CC=C1 B100860 [2,0,0,0,0,0|0,0,0]=2 143 B11R1.16 CCCC(=O)C1=CC=CC=N1 B588269 [2,0,0,0,0,0|1,0,0]=3 144 B11R1.16 CCCC(C1=CC=CC=C1)O P160157 [2,0,0,0,0,0|0,0,2]=4 145 B11R1.16 CCCC(C1=CC=CC=C1)O R468963 [2,0,0,0,0,0|0,0,2]=4 146 B11R1.16 CCCC(C1=CC=CC=C1)O S468962 [2,0,0,0,0,0|0,0,2]=4 147 B11R1.16 CCNC(=O)C1=CN=CC=C1 N159628 [2,0,0,0,0,0|2,0,0]=4 148 B11R1.16 CCOC(=N)C1=CC=CC=C1 E170842 [2,0,0,0,0,0|1,0,0]=3 149 B11R1.16 CCOC(=O)C1=CC=CC=C1 E103424 [2,0,0,0,0,0|0,0,0]=2 150 B11R1.16 CCOC(=O)C1=CC=CC=C1 E103425 [2,0,0,0,0,0|0,0,0]=2 151 B11R1.16 CCOC(=O)C1=CC=CC=C1 E103426 [2,0,0,0,0,0|0,0,0]=2 152 B11R1.16 CCOC(=O)C1=CC=CC=N1 E133202 [2,0,0,0,0,0|1,0,0]=3 153 B11R1.16 CCOC(=O)C1=CC=NC=C1 E123188 [2,0,0,0,0,0|1,0,0]=3 154 B11R1.16 CCOC(=O)C1=CN=CC=C1 E104496 [2,0,0,0,0,0|1,0,0]=3 155 B11R1.16 CCOC(=O)C1=NC=CC=N1 E184499 [2,0,0,0,0,0|2,0,0]=4 156 B11R1.16 CCOC(=O)C1=NC=NC=C1 E156273 [2,0,0,0,0,0|2,0,0]=4 157 B11R1.16 CCO[P+](=O)C1=CC=CC=C1 E133085 [2,0,0,0,0,0|1,0,0]=3 158 B11R1.16 CNOC(=O)C1=CC=CC=C1 O159914 [2,0,0,0,0,0|1,0,0]=3 159 B11R1.22 C1=CC(=CC=C1C(=O)CBr)Br D113568 [2,0,0,0,0,0|2,0,0]=4 160 B11R1.22 C1=CC(=CC=C1C(=O)CBr)Br D128625 [2,0,0,0,0,0|2,0,0]=4 161 B11R1.22 C1=CC(=CC=C1C(=O)CBr)Cl B135176 [2,0,0,0,0,0|2,0,0]=4 162 B11R1.22 C1=CC(=CC=C1C(=O)CBr)F B123244 [2,0,0,0,0,0|2,0,0]=4 163 B11R1.22 C1=CC(=CC=C1C(=O)CBr)O B151940 [2,0,0,0,0,0|1,0,0]=3 164 B11R1.22 C1=CC(=CC=C1C(=O)CCl)Br B122004 [2,0,0,0,0,0|2,0,0]=4 165 B11R1.22 C1=CC(=CC=C1C(=O)CCl)F C138866 [2,0,0,0,0,0|2,0,0]=4 166 B11R1.22 C1=CC(=CC=C1C(=O)CCl)O C123253 [2,0,0,0,0,0|1,0,0]=3 167 B11R1.22 C1=CC(=CC=C1C(=O)CN)Br A136664 [2,0,0,0,0,0|2,0,0]=4 168 B11R1.22 C1=CC(=CC=C1C(=O)CN)F A184615 [2,0,0,0,0,0|2,0,0]=4 169 B11R1.22 C1=CC(=CC=C1C(=O)NN)O H106356 [2,0,0,0,0,0|2,0,0]=4 170 B11R1.22 CC1=CC=C(C=C1)C(=O)CBr M113665 [2,0,0,0,0,0|2,0,0]=4 171 B11R1.22 CC1=CC=C(C=C1)C(=O)OC M110633 [2,0,0,0,0,0|1,0,0]=3 172 B11R1.22 CC1=CN=C(C=C1)C(=O)OC M192593 [2,0,0,0,0,0|2,0,0]=4 173 B11R1.22 CC1=NC=C(C=C1)C(=O)OC M128103 [2,0,0,0,0,0|2,0,0]=4 174 B11R1.22 CCC(=O)C1=CC=C(C=C1)Br B137954 [2,0,0,0,0,0|1,0,0]=3 175 B11R1.22 CCC(=O)C1=CC=C(C=C1)C M102232 [2,0,0,0,0,0|1,0,0]=3 176 B11R1.22 CCC(=O)C1=CC=C(C=C1)Cl C109480 [2,0,0,0,0,0|1,0,0]=3 177 B11R1.22 CCC(=O)C1=CC=C(C=C1)F F156638 [2,0,0,0,0,0|1,0,0]=3 178 B11R1.22 CCC(=O)C1=CC=C(C=C1)N A419382 [2,0,0,0,0,0|1,0,0]=3 179 B11R1.22 CCC(=O)C1=CC=C(C=C1)O H107590 [2,0,0,0,0,0|0,0,0]=2 180 B11R1.22 CCC(C)C1=CC=C(C=C1)O S161081 [2,0,0,0,0,0|1,0,1]=4 181 B11R1.22 CNC(=O)C1=CC=C(C=C1)Br N183369 [2,0,0,0,0,0|2,0,0]=4 182 B11R1.22 CNC(=O)C1=CC=C(C=C1)N A151421 [2,0,0,0,0,0|2,0,0]=4 183 B11R1.22 COC(=N)C1=CC=C(C=C1)O B301321 [2,0,0,0,0,0|1,0,0]=3 184 B11R1.22 COC(=O)C1=CC=C(C=C1)Br M157997 [2,0,0,0,0,0|1,0,0]=3 185 B11R1.22 COC(=O)C1=CC=C(C=C1)Cl M158002 [2,0,0,0,0,0|1,0,0]=3 186 B11R1.22 COC(=O)C1=CC=C(C=C1)F F108020 [2,0,0,0,0,0|1,0,0]=3 187 B11R1.22 COC(=O)C1=CC=C(C=C1)I I101961 [2,0,0,0,0,0|1,0,0]=3 188 B11R1.22 COC(=O)C1=CC=C(C=C1)N M111661 [2,0,0,0,0,0|1,0,0]=3 189 B11R1.22 COC(=O)C1=CC=C(C=C1)O M108620 [2,0,0,0,0,0|0,0,0]=2 190 B11R1.22 COC(=O)C1=CC=C(C=C1)O M108621 [2,0,0,0,0,0|0,0,0]=2 191 B11R1.22 COC(=O)C1=CC=C(C=C1)O M108622 [2,0,0,0,0,0|0,0,0]=2 192 B11R1.22 COC(=O)C1=CC=C(C=C1)O M111496 [2,0,0,0,0,0|0,0,0]=2 193 B11R1.22 COC(=O)C1=CC=C(C=C1)O M427229 [2,0,0,0,0,0|0,0,0]=2 194 B11R1.22 COC(=O)C1=CC=C(C=C1)[O-] M102796 [2,0,0,0,0,0|0,0,1]=3 195 B11R1.22 COC(=O)C1=CC=C(C=C1)[O-] M102797 [2,0,0,0,0,0|0,0,1]=3 196 B11R1.22 COC(=O)C1=CC=C(C=C1)[O-] M140627 [2,0,0,0,0,0|0,0,1]=3 197 B11R1.22 COC(=O)C1=CC=[N+](C=C1)[O-] M133680 [2,0,0,0,0,0|1,0,1]=4 198 B11R1.22 COC(=O)C1=CN=C(C=C1)Br M175933 [2,0,0,0,0,0|2,0,0]=4 199 B11R1.22 COC(=O)C1=CN=C(C=C1)Cl M158734 [2,0,0,0,0,0|2,0,0]=4 200 B11R1.22 COC(=O)C1=CN=C(C=C1)N M157823 [2,0,0,0,0,0|2,0,0]=4 201 B11R1.22 COC(=O)C1=CNC(=O)C=C1 M157821 [2,0,0,0,0,0|1,0,1]=4 202 B11R1.22 COC(=O)C1=COC(=O)C=C1 M102239 [2,0,0,0,0,0|1,0,1]=4 203 B11R1.22 COC(=O)C1=NC=C(C=C1)Br M124673 [2,0,0,0,0,0|2,0,0]=4 204 B11R1.22 COC(=O)C1=NC=C(C=C1)Cl M181170 [2,0,0,0,0,0|2,0,0]=4 205 B11R1.22 COC(=O)C1=NC=C(C=C1)F M171909 [2,0,0,0,0,0|2,0,0]=4 206 B11R1.22 COC(=O)C1=NC=C(C=C1)N M177143 [2,0,0,0,0,0|2,0,0]=4 207 B11R1.22 COC(=O)C1=NC=C(C=C1)O M176070 [2,0,0,0,0,0|1,0,0]=3 208 B13R1.9 CCCCCCC1=CC=C(C=C1)O H133197 [1,1,0,0,0,0|1,0,1]=4 209 B13R1.9 CCCCCOC1=CC=C(C=C1)O A135781 [1,1,0,0,0,0|1,0,1]=4 210 B13R1.371 CCCCOC1=CC=C(C=C1)CO B137646 [1,1,0,0,0,0|2,0,0]=4 211 B13R1.21 COC(=O)C(=O)C1=CC=C(C=C1)O M588953 [1,1,0,0,0,0|1,0,1]=4 212 B13R1.29 CCOS(=O)(=O)C1=CC=C(C=C1)C E105986 [1,1,0,0,0,0|2,0,0]=4 213 B13R1.132 CC(=O)CC(=O)C1=CC=C(C=C1)Br B151852 [1,1,0,0,0,0|1,0,1]=4 214 B13R1.132 CC(=O)CC(=O)C1=CC=C(C=C1)F F156635 [1,1,0,0,0,0|1,0,1]=4 215 B13R1.132 CC(C)NC(=O)C1=CC=C(C=C1)N I186575 [1,1,0,0,0,0|2,0,0]=4 216 B13R1.132 CC(C)OC(=O)C1=CC=C(C=C1)N I157693 [1,1,0,0,0,0|1,0,0]=3 217 B13R1.132 CC(C)OC(=O)C1=CC=C(C=C1)O I111811 [1,1,0,0,0,0|0,0,0]=2 218 B13R1.452 CCCC(=O)C1=CC=C(C=C1)OC M158246 [1,1,0,0,0,0|0,0,0]=2 219 B13R1.452 CCOC(=O)C1=CC=C(C=C1)C#C E586271 [1,1,0,0,0,0|1,0,0]=3 220 B13R1.452 CCOC(=O)C1=CC=C(C=C1)C#N E156444 [1,1,0,0,0,0|1,0,0]=3 221 B13R1.452 CCOC(=O)C1=CC=C(C=C1)CBr E330588 [1,1,0,0,0,0|1,0,0]=3 222 B13R1.452 CCOC(=O)C1=CC=C(C=C1)CCl E156519 [1,1,0,0,0,0|1,0,0]=3 223 B13R1.452 CCOC(=O)C1=CC=C(C=C1)CN E331243 [1,1,0,0,0,0|1,0,0]=3 224 B13R1.452 CCOC(=O)C1=CC=C(C=C1)OC E189236 [1,1,0,0,0,0|0,0,0]=2 225 B13R1.452 CCOC(=O)C1=CN=C(C=N1)OC E193830 [1,1,0,0,0,0|2,0,0]=4 226 B13R1.452 CCOC(=O)C1=NC=C(C=C1)C#N E358689 [1,1,0,0,0,0|2,0,0]=4 227 B13R1.452 COC1=CC=C(C=C1)C(=O)CC#N M123308 [1,1,0,0,0,0|1,0,1]=4 228 B13R1.452 COC1=CC=C(C=C1)C(=O)CCCl C140247 [1,1,0,0,0,0|1,0,0]=3 229 B13R1.466 CCOC(=O)C1=CC(=C(C=C1)Br)C E156518 [1,1,0,0,0,0|1,0,0]=3 230 B13R1.466 CCOC(=O)C1=CC(=C(C=C1)Br)F E189743 [1,1,0,0,0,0|1,0,0]=3 231 B13R1.466 CCOC(=O)C1=CC(=C(C=C1)Br)O E192777 [1,1,0,0,0,0|1,0,0]=3 232 B13R1.466 CCOC(=O)C1=CC(=C(C=C1)C)N E156550 [1,1,0,0,0,0|1,0,0]=3 233 B13R1.466 CCOC(=O)C1=CC(=C(C=C1)Cl)F E588007 [1,1,0,0,0,0|1,0,0]=3 234 B13R1.466 CCOC(=O)C1=CC(=C(C=C1)F)Br E183029 [1,1,0,0,0,0|1,0,0]=3 235 B13R1.466 CCOC(=O)C1=CC(=C(C=C1)F)Cl E181362 [1,1,0,0,0,0|1,0,0]=3 236 B13R1.466 CCOC(=O)C1=CC(=C(C=C1)F)F E181512 [1,1,0,0,0,0|1,0,0]=3 237 B13R1.466 CCOC(=O)C1=CC(=C(C=C1)N)Cl E195197 [1,1,0,0,0,0|1,0,0]=3 238 B13R1.466 CCOC(=O)C1=CC(=C(C=C1)N)F E186341 [1,1,0,0,0,0|1,0,0]=3 239 B13R1.466 CCOC(=O)C1=CC(=C(C=C1)N)N E138760 [1,1,0,0,0,0|1,0,0]=3 240 B13R1.466 CCOC(=O)C1=CC(=C(C=C1)O)O E133835 [1,1,0,0,0,0|0,0,0]=2 241 B13R1.466 CNCC(=O)C1=CC(=C(C=C1)O)O A129906 [1,1,0,0,0,0|1,0,0]=3 242 B13R1.466 CNCC(=O)C1=CC(=C(O)C=C1)O A408863 [1,1,0,0,0,0|1,0,0]=3 243 B13R1.1511 CCCC(=O)C1=C(C=C(C=C1)Cl)Cl D154243 [1,1,0,0,0,0|1,0,0]=3 244 B13R1.1511 CCOC(=O)C1=C(C=C(C=C1)Br)F E589211 [1,1,0,0,0,0|1,0,0]=3 245 B13R1.1511 CCOC(=O)C1=C(C=C(C=C1)C)C E183795 [1,1,0,0,0,0|1,0,0]=3 246 B13R1.1511 CCOC(=O)C1=C(C=C(C=C1)Cl)Br E463138 [1,1,0,0,0,0|1,0,0]=3 247 B13R1.1511 CCOC(=O)C1=C(C=C(C=C1)Cl)F E331014 [1,1,0,0,0,0|1,0,0]=3 248 B13R1.1511 CCOC(=O)C1=C(C=C(C=C1)F)F E156455 [1,1,0,0,0,0|1,0,0]=3 249 B13R1.1511 CCOC(=O)C1=C(C=C(C=C1)F)N E189893 [1,1,0,0,0,0|1,0,0]=3 250 B13R1.1511 CCOC(=O)C1=C(C=C(C=C1)O)C E589519 [1,1,0,0,0,0|0,0,0]=2 251 B13R1.1511 CCOC(=O)C1=C(C=C(C=C1)O)O E170242 [1,1,0,0,0,0|0,0,0]=2 252 B13R1.1511 CCOC(=O)C1=C(N=C(C=C1)Cl)Cl E156067 [1,1,0,0,0,0|2,0,0]=4 253 B13R1.1511 CCOC(=O)C1=CN=C(C=C1Br)Cl E587747 [1,1,0,0,0,0|2,0,0]=4 254 B13R1.1511 CCOC(=O)C1=CN=C(C=C1Cl)Cl E122669 [1,1,0,0,0,0|2,0,0]=4 255 B13R1.1511 CCOC(=O)C1=CNC(=O)C=C1O E156129 [1,1,0,0,0,0|1,0,1]=4 256 B13R1.24 CCCCCC(=O)C1=CC=CC=C1 H156993 [1,1,0,0,0,0|1,0,0]=3 257 B13R1.24 CCCCOC(=O)C1=CC=CC=C1 B110620 [1,1,0,0,0,0|0,0,0]=2 258 B13R1.24 CCCCOC(=O)C1=CC=CC=C1 B110621 [1,1,0,0,0,0|0,0,0]=2 259 B13R1.24 CCCCOC(=O)C1=CC=CC=C1 B110622 [1,1,0,0,0,0|0,0,0]=2 260 B13R1.24 CCCCOC(=O)C1=CN=CC=C1 B331241 [1,1,0,0,0,0|1,0,0]=3 261 B13R1.24 CCCCSC(=O)C1=CC=CC=C1 S161293 [1,1,0,0,0,0|0,1,0]=3 262 B13R1.24 CNCCCC(=O)C1=CN=CC=C1 M406556 [1,1,0,0,0,0|2,0,0]=4 263 B13R1.45 CC(=NOC(=O)C1=CC=CC=C1)C A151672 [1,1,0,0,0,0|1,0,1]=4 264 B13R1.45 CC(C)COC(=O)C1=CC=CC=C1 I157710 [1,1,0,0,0,0|0,0,0]=2 265 B13R1.45 CN(C)CCC(=O)C1=CC=CC=C1 D154638 [1,1,0,0,0,0|2,0,0]=4 266 B13R1.674 C1=CC=C(C(=C1)C(=O)OCCO)O E102775 [1,1,0,0,0,0|1,0,0]=3 267 B13R1.674 CCCOC(=O)C1=CC=CC=C1O P160601 [1,1,0,0,0,0|0,0,0]=2 268 B15R1.30 CCCCCCC(=O)C1=CC=C(C=C1)O H156989 [0,2,0,0,0,0|1,0,0]=3 269 B15R1.30 CCCCCOC(=O)C1=CC=C(C=C1)O A151168 [0,2,0,0,0,0|0,0,0]=2 270 B15R1.30 CCCCNNC(=O)C1=CC=C(C=C1)Br U413338 [0,2,0,0,0,0|2,0,0]=4 271 B15R1.38 CC1=CC=C(C=C1)S(=O)(=O)OCCOC M158550 [0,2,0,0,0,0|2,0,0]=4 272 B15R1.38 CCCCOS(=O)(=O)C1=CC=C(C=C1)C B152404 [0,2,0,0,0,0|2,0,0]=4 273 B15R1.1222 B(C1=CC=C(C=C1)C(=O)OCCC)(O)O P188043 [0,2,0,0,0,0|0,0,0]=2 274 B15R1.1222 C1=CC(=CC=C1C(=O)O)C(=O)OCCO H302233 [0,2,0,0,0,0|1,0,0]=3 275 B15R1.5924 CCCOC(=O)C1=CC(=C(C(=C1)O)O)O P108602 [0,2,0,0,0,0|0,0,0]=2 276 B15R1.5924 CCCOC(=O)C1=CC(=C(C(=C1)O)O)O P108603 [0,2,0,0,0,0|0,0,0]=2 277 B15R1.5924 CCCOC(=O)C1=CC(=C(C(=C1)O)O)O P420942 [0,2,0,0,0,0|0,0,0]=2 278 B13R2.12 C1CCC(C1)C2=CC=C(C=C2)O C477108 [1,0,0,1,0,0|1,0,1]=4 279 B13R2.520 CC1=CC=C(C=C1)C(=O)C2CC2 C349155 [1,0,0,1,0,0|1,0,0]=3 280 B13R2.5179 C1CC2=C(C=CC(=C2)Br)C(=O)C1 B120468 [1,0,0,1,0,0|1,0,0]=3 281 B13R2.5179 C1CC2=C(C=CC(=C2)Cl)C(=O)C1 C154069 [1,0,0,1,0,0|1,0,0]=3 282 B13R2.5179 C1CC2=C(C=CC(=C2)F)C(=O)C1 F194686 [1,0,0,1,0,0|1,0,0]=3 283 B13R2.5179 C1CC2=C(C=CC(=C2)I)C(=O)C1 I192841 [1,0,0,1,0,0|1,0,0]=3 284 B13R2.5179 C1CC2=C(C=CC(=C2)N)C(=O)C1 W133312 [1,0,0,1,0,0|1,0,0]=3 285 B13R2.5179 C1CC2=C(C=CC(=C2)O)C(=O)C1 H156890 [1,0,0,1,0,0|0,0,0]=2 286 B13R2.5179 C1CNC(=O)C2=C1C=C(C=C2)Br B181577 [1,0,0,1,0,0|2,0,0]=4 287 B13R2.5179 C1CNC(=O)C2=C1C=C(C=C2)F F348881 [1,0,0,1,0,0|2,0,0]=4 288 B13R2.5179 C1COC2=C(C1=O)C=CC(=C2)Cl C182282 [1,0,0,1,0,0|2,0,0]=4 289 B13R2.5179 C1COC2=C(C1=O)C=CC(=C2)O H194950 [1,0,0,1,0,0|1,0,0]=3 290 B13R2.3 B1(OCCCO1)C2=CC=CC=C2 P170370 [1,0,0,1,0,0|1,0,1]=4 291 B13R2.3 C1CCC(=CC1)C2=CC=CC=C2 P134539 [1,0,0,1,0,0|2,0,0]=4 292 B13R2.10 CC1COC(O1)C2=CC=CC=C2 B117532 [1,0,0,1,0,0|0,0,2]=4 293 B13R2.10 CC1COC(O1)C2=CC=CC=C2 B140514 [1,0,0,1,0,0|0,0,2]=4 294 B13R2.371 CC1CCC(=O)C2=CC=CC=C12 M168319 [1,0,0,1,0,0|1,0,0]=3 295 B13R2.2931 C1=CC=C2C(=C1)C(OC2=O)C#N C472376 [1,0,0,1,0,0|1,0,1]=4 296 B13R2.5252 C1CCC(=O)C2=CC=CC=C2C1 T162135 [1,0,0,1,0,0|1,0,0]=3 297 B15R2.29 C1CCOC(C1)OC2=CC=C(C=C2)O D129494 [0,0,0,1,0,1|1,0,1]=4 298 B15R2.1 B1(OCCCO1)C2=CC=C(C=C2)OC M587418 [0,1,0,1,0,0|1,0,1]=4 299 B11R1.15 CCOC(=O)C1=CC(=CN1)Br E135142 [1,0,0,0,1,0|2,0,0]=4 300 B11R1.15 CCOC(=O)C1=CC(=CN1)C E138809 [1,0,0,0,1,0|2,0,0]=4 301 B11R1.15 CCOC(=O)C1=CC=C(O1)Br E331006 [1,0,0,0,1,0|2,0,0]=4 302 B11R1.15 CCOC(=O)C1=CC=C(S1)Br E123064 [1,0,0,0,1,0|2,0,0]=4 303 B11R1.15 CCOC(=O)C1=CC=C(S1)Cl E123061 [1,0,0,0,1,0|2,0,0]=4 304 B11R1.15 CCOC(=O)C1=CSC(=C1)Br E191479 [1,0,0,0,1,0|2,0,0]=4 305 B11R1.29 CCCOC(=O)C1=CC=CO1 P160281 [1,0,0,0,1,0|1,0,0]=3 306 B13R1.44 C=CCOC(=O)CC1=CC=CC=C1 A151106 [1,0,0,0,0,1|0,0,2]=4 307 B13R1.44 C=CCOC(=O)OC1=CC=CC=C1 A151037 [1,0,0,0,0,1|0,0,2]=4