0 B11R1.21 C=C(C)C1=CC=C(C(=C1)Cl)Cl PH007056 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.21 CC(=O)C1=CC(=C(C=C1)C)N CBR02053 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.21 CC(=O)C1=CC(=C(C=C1)O)O R174114 [0,0,0,0,0,0|1,0,0]=1 3 B11R1.21 CC(=O)C1=CC=C(C(=C1)F)O CDS002790 [0,0,0,0,0,0|2,0,0]=2 4 B11R1.21 CC(=O)C1=CC=C(C(=C1)N)Cl JRD0473 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.21 CC(=O)C1=CC=C(C(=C1)N)F JRD0487 [0,0,0,0,0,0|3,0,0]=3 6 B11R1.21 CC(C)C1=CC=C(C(=C1)N)O S818887 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.21 CC(O)C1=CC=C(C(=C1)Cl)Cl S345539 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.21 CC1=C(C=C(C=C1)B(O)O)N CDS003846 [0,0,0,0,0,0|3,0,1]=4 9 B11R1.21 CC1=C(C=C(C=C1)B(O)O)N CDS004788 [0,0,0,0,0,0|3,0,1]=4 10 B11R1.21 CC1=C(C=C(C=C1)C(=N)N)Cl PH014636 [0,0,0,0,0,0|4,0,0]=4 11 B11R1.21 CC1=C(C=C(C=C1)C(=N)N)F CDS015050 [0,0,0,0,0,0|4,0,0]=4 12 B11R1.21 CC1=C(C=C(C=C1)C(=S)N)F PH015302 [0,0,0,0,0,0|3,1,0]=4 13 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)Cl R436089 [0,0,0,0,0,0|2,0,0]=2 14 B11R1.21 CC1=CC(=CC=C1I)C(=O)O PH011378 [0,0,0,0,0,0|2,0,0]=2 15 B11R1.21 CC1=CC=C(C=C1C)B(O)O CDS013650 [0,0,0,0,0,0|3,0,1]=4 16 B11R1.21 CC1=CC=C(C=C1C)C(=S)N BOG00231 [0,0,0,0,0,0|3,1,0]=4 17 B11R1.21 CC1=CC=C(C=C1Cl)C(=O)N S716782 [0,0,0,0,0,0|3,0,0]=3 18 B11R1.21 CC1=CC=C(C=C1I)[N+](=O)[O-] S432938 [0,0,0,0,0,0|3,0,1]=4 19 B11R1.21 CC1=CC=C(C=C1O)N(C)C PH006982 [0,0,0,0,0,0|4,0,0]=4 20 B11R1.21 CN1C=CC(=CC1=O)C(=O)O CBR00106 [0,0,0,0,0,0|2,0,1]=3 21 B11R1.21 CN1N=C(C=CC1=O)C(=O)O CBR00032 [0,0,0,0,0,0|3,0,1]=4 22 B11R1.21 NC(=O)C1=CC(=C(C=C1)F)N CBR01657 [0,0,0,0,0,0|3,0,0]=3 23 B11R1.21 NC(=O)C1=CC(=C(N=C1)Cl)Cl EME00445 [0,0,0,0,0,0|4,0,0]=4 24 B11R1.21 NC(=O)C1=CC=C(C(=C1)Cl)Cl PH011012 [0,0,0,0,0,0|3,0,0]=3 25 B11R1.21 NC(=S)C1=CC(=C(C=C1)F)Cl PH016195 [0,0,0,0,0,0|3,1,0]=4 26 B11R1.21 NC(=S)C1=CC=C(C(=C1)F)F BOG00008 [0,0,0,0,0,0|3,1,0]=4 27 B11R1.21 NC(=S)C1=CC=C(C(=C1)O)O BOG00242 [0,0,0,0,0,0|1,1,0]=2 28 B11R1.21 NC1=CC(=CC=C1Cl)B(O)O CDS020054 [0,0,0,0,0,0|3,0,1]=4 29 B11R1.21 NC1=CC(=CC=C1F)B(O)O BML00197 [0,0,0,0,0,0|3,0,1]=4 30 B11R1.21 NC1=NC=C(C=C1I)C(=O)O CVT00091 [0,0,0,0,0,0|3,0,0]=3 31 B11R1.21 O=C(O)C1=CC=C(C(=C1)O)Cl CDS020712 [0,0,0,0,0,0|1,0,0]=1 32 B11R1.21 O=C(O)C1=CC=C(C(=N1)Br)F CDS023920 [0,0,0,0,0,0|3,0,0]=3 33 B11R1.21 O=C(O)C1=CC=C(C(=N1)Cl)F MNO000118 [0,0,0,0,0,0|3,0,0]=3 34 B11R1.21 O=[N+]([O-])C1=CC=C(C(=C1)Cl)I S755303 [0,0,0,0,0,0|3,0,1]=4 35 B11R1.21 O=[N+]([O-])C1=CC=C(C(=C1)O)Br SYX00192 [0,0,0,0,0,0|2,0,1]=3 36 B11R1.21 OB(O)C1=CC=C(C(=C1)F)Br CDS000944 [0,0,0,0,0,0|3,0,1]=4 37 B11R1.21 OB(O)C1=CC=C(C(=C1)F)Br SYX00309 [0,0,0,0,0,0|3,0,1]=4 38 B11R1.21 OB(O)C1=CC=C(C(=C1)F)Cl CDS004650 [0,0,0,0,0,0|3,0,1]=4 39 B10R1.13 C=C(C)C1=CC=C(C=C1)F CDS001211 [1,0,0,0,0,0|3,0,0]=4 40 B10R1.13 CC(=O)C1=CC=C(C=N1)C CBR02273 [1,0,0,0,0,0|3,0,0]=4 41 B10R1.13 CC(=O)C1=CC=C(N=C1)Cl CDS007858 [1,0,0,0,0,0|3,0,0]=4 42 B10R1.13 CC(=O)C1=CC=[N+](C=C1)C R228613 [1,0,0,0,0,0|3,0,0]=4 43 B10R1.13 CC1=CC=C(C=C1)C(=N)N CDS004524 [1,0,0,0,0,0|3,0,0]=4 44 B10R1.13 CC1=CC=C(C=C1)S(=O)O T212016 [1,0,0,0,0,0|2,0,0]=3 45 B10R1.13 CC1=CC=C(N=C1)C(=O)O CDS015362 [1,0,0,0,0,0|2,0,0]=3 46 B10R1.13 CC1=CC=C(N=N1)C(=O)O CDS023095 [1,0,0,0,0,0|3,0,0]=4 47 B10R1.13 CC1=NC=C(C=N1)C(=O)O CBR01580 [1,0,0,0,0,0|3,0,0]=4 48 B10R1.13 CC1C=CC(C=C1)C(=O)O T167762 [1,0,0,0,0,0|1,0,2]=4 49 B10R1.13 C[N+]1=CC=C(C=C1)C(=O)O S407054 [1,0,0,0,0,0|2,0,0]=3 50 B10R1.13 N1N=C(C=CC1=O)C(=O)O S909475 [1,0,0,0,0,0|2,0,1]=4 51 B10R1.13 N=C(N)C1=CC=C(C=C1)Cl CDS003585 [1,0,0,0,0,0|3,0,0]=4 52 B10R1.13 N=C(N)C1=CC=C(C=C1)F CDS004472 [1,0,0,0,0,0|3,0,0]=4 53 B10R1.13 N=C(N)C1=CC=C(C=C1)O L496618 [1,0,0,0,0,0|2,0,0]=3 54 B10R1.13 N=C(N)C1=CC=C(C=C1)O PH016728 [1,0,0,0,0,0|2,0,0]=3 55 B10R1.13 N=C(N)C1=CC=C(C=C1)O S761559 [1,0,0,0,0,0|2,0,0]=3 56 B10R1.13 NC(=O)C1=CN=C(C=C1)O EME00449 [1,0,0,0,0,0|2,0,0]=3 57 B10R1.13 NC(=S)C1=CC=C(C=C1)O CDS003997 [1,0,0,0,0,0|1,1,0]=3 58 B10R1.13 NC1=CC=C(C=C1)C(=O)O S820083 [1,0,0,0,0,0|1,0,0]=2 59 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] S571024 [1,0,0,0,0,0|1,0,1]=3 60 B10R1.13 O=C(O)C1=CC=C(C=N1)Cl CDS003151 [1,0,0,0,0,0|2,0,0]=3 61 B10R1.13 O=C(O)C1=CC=C(C=N1)O CDS004398 [1,0,0,0,0,0|1,0,0]=2 62 B10R1.13 O=C(O)C1=CN=C(N=C1)Cl CDS009961 [1,0,0,0,0,0|3,0,0]=4 63 B10R1.13 O=C(O)C1=NN=C(C=C1)Cl CDS020720 [1,0,0,0,0,0|3,0,0]=4 64 B10R1.13 O=C([O-])C1=CC=C(C=C1)I S840890 [1,0,0,0,0,0|1,0,1]=3 65 B10R1.13 O=C1C=CC(=NN1)C(=O)O CDS015149 [1,0,0,0,0,0|2,0,1]=4 66 B10R1.13 O=S([O-])C1=CC=C(C=C1)Cl S614394 [1,0,0,0,0,0|2,0,1]=4 67 B10R1.13 O=[N+]([O-])C1=CC=C(C=C1)[O-] S592323 [1,0,0,0,0,0|1,0,2]=4 68 B10R1.113 C=C(C)C1=CC(=CC=C1)C PH015479 [1,0,0,0,0,0|3,0,0]=4 69 B10R1.113 CC(=O)C1=CC=CC(=N1)C CDS003228 [1,0,0,0,0,0|3,0,0]=4 70 B10R1.113 CC(=O)C1=C[N+](=CC=C1)C S303313 [1,0,0,0,0,0|3,0,0]=4 71 B10R1.113 CC(N)C1=CC=CC(=C1)O CDS012752 [1,0,0,0,0,0|2,0,1]=4 72 B10R1.113 CC1=CC=CC(=C1)C(=S)N PH010828 [1,0,0,0,0,0|2,1,0]=4 73 B10R1.113 CC1=NC(=CC=N1)C(=O)O CBR01666 [1,0,0,0,0,0|3,0,0]=4 74 B10R1.113 C[N+]1=CC(=CC=C1)C(=O)O L169226 [1,0,0,0,0,0|2,0,0]=3 75 B10R1.113 C[N+]1=CC(=CC=C1)C(=O)O S414255 [1,0,0,0,0,0|2,0,0]=3 76 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)N S626821 [1,0,0,0,0,0|3,0,0]=4 77 B10R1.113 N=C(N)C1=CC=CC(=C1)O PH015280 [1,0,0,0,0,0|2,0,0]=3 78 B10R1.113 NC(=O)C1=CC(=NC=C1)Br ADE000237 [1,0,0,0,0,0|3,0,0]=4 79 B10R1.113 NC(=O)C1=CC(=NC=C1)N ADE000162 [1,0,0,0,0,0|3,0,0]=4 80 B10R1.113 NC(=O)C1=CC=CC(=C1)Br TMT00344 [1,0,0,0,0,0|2,0,0]=3 81 B10R1.113 NC(=O)C1=CC=CC(=C1)Cl CDS003328 [1,0,0,0,0,0|2,0,0]=3 82 B10R1.113 NC(=O)C1=CC=CC(=N1)Cl MNO000062 [1,0,0,0,0,0|3,0,0]=4 83 B10R1.113 NC(=O)C1=NC=CC(=C1)Br CDS022078 [1,0,0,0,0,0|3,0,0]=4 84 B10R1.113 NC(=O)C1=NC=CC(=C1)Cl ADE000335 [1,0,0,0,0,0|3,0,0]=4 85 B10R1.113 NC1=CC(=CC=C1)[N+](=O)[O-] R462284 [1,0,0,0,0,0|2,0,1]=4 86 B10R1.113 NC1=CC(=NC=C1)C(=O)O PHB00041 [1,0,0,0,0,0|2,0,0]=3 87 B10R1.113 NC1=CC=NC(=C1)C(=O)O CDS007808 [1,0,0,0,0,0|2,0,0]=3 88 B10R1.113 NC1=NC=CC(=C1)C(=O)O ADE000133 [1,0,0,0,0,0|2,0,0]=3 89 B10R1.113 O=C(Cl)C1=CC=CC(=C1)I CDS001158 [1,0,0,0,0,0|2,0,0]=3 90 B10R1.113 O=C(O)C1=CC(=NC=C1)O CDS003015 [1,0,0,0,0,0|1,0,0]=2 91 B10R1.113 O=C(O)C1=CC(=NC=N1)O S362735 [1,0,0,0,0,0|2,0,0]=3 92 B10R1.113 O=C(O)C1=C[N+](=CC=N1)[O-] PH009754 [1,0,0,0,0,0|2,0,1]=4 93 B10R1.113 O=C(O)C1=NC(=CC=C1)I ADE000333 [1,0,0,0,0,0|2,0,0]=3 94 B10R1.113 O=C(O)C1=NC=CC(=C1)Cl ADE000290 [1,0,0,0,0,0|2,0,0]=3 95 B10R1.113 O=C(O)C1=NC=CC(=C1)Cl CDS000043 [1,0,0,0,0,0|2,0,0]=3 96 B10R1.113 O=C(O)C1=NC=CC(=C1)I PHB00300 [1,0,0,0,0,0|2,0,0]=3 97 B10R1.113 O=C(O)C1=NC=CC(=C1)O CDS005228 [1,0,0,0,0,0|1,0,0]=2 98 B10R1.113 O=C([O-])C1=NC=CC(=C1)I ADE000263 [1,0,0,0,0,0|2,0,1]=4 99 B10R1.113 O=C1C=C(C=NN1)C(=O)O CDS022708 [1,0,0,0,0,0|2,0,1]=4 100 B10R1.113 O=C1C=CC=C(O1)C(=O)O CDS020731 [1,0,0,0,0,0|1,0,1]=3 101 B10R1.176 C(=O)C1=CC(=C(C=C1)Br)Br R277363 [1,0,0,0,0,0|2,0,0]=3 102 B10R1.176 CC1=C(N=CC(=C1)C=O)Cl KOB0126 [1,0,0,0,0,0|3,0,0]=4 103 B10R1.176 CC1=CC(=CC=C1O)N=O PH004271 [1,0,0,0,0,0|2,0,0]=3 104 B10R1.176 CCC1=CC=C(C(=C1)N)O TMT00004 [1,0,0,0,0,0|2,0,1]=4 105 B10R1.176 COC1=CC(=C(C=C1)O)C T276596 [1,0,0,0,0,0|3,0,0]=4 106 B10R1.176 COC1=CC=C(C(=C1)O)Cl S452114 [1,0,0,0,0,0|3,0,0]=4 107 B10R1.176 CSC1=CC=C(C(=C1)C)O S533777 [1,0,0,0,0,0|3,0,0]=4 108 B10R1.176 CSC1=CC=C(C(=C1)O)N S883239 [1,0,0,0,0,0|3,0,0]=4 109 B10R1.176 N#CC1=CC(=C(C=C1)O)F CDS004642 [1,0,0,0,0,0|2,0,1]=4 110 B10R1.176 N#CC1=CC=C(C(=C1)O)F CDS022789 [1,0,0,0,0,0|2,0,1]=4 111 B10R1.176 O=CC1=CC=C(C(=C1)F)O CDS003043 [1,0,0,0,0,0|1,0,0]=2 112 B10R1.176 O=CC1=CN=C(C(=C1)F)Cl CDS023935 [1,0,0,0,0,0|3,0,0]=4 113 B10R1.176 O=NC1=CC=C(C(=C1)Cl)O S432717 [1,0,0,0,0,0|2,0,0]=3 114 B10R1.176 OCC1=CC(=C(C=C1)Br)Br PH010512 [1,0,0,0,0,0|2,0,1]=4 115 B10R1.176 OCC1=CC(=C(C=N1)O)O CBR00377 [1,0,0,0,0,0|1,0,1]=3 116 B10R1.176 OCC1=CC=C(C(=C1)F)Cl CDS010758 [1,0,0,0,0,0|2,0,1]=4 117 B10R1.176 OCC1=CC=C(C(=N1)Br)O ADE000154 [1,0,0,0,0,0|2,0,1]=4 118 B12R1.23 CC1=CC(=CC=C1N)S(=O)(=O)O T332895 [0,1,0,0,0,0|3,0,0]=4 119 B12R1.23 CC1=CC=C(C=C1N)S(=O)(=O)O S518506 [0,1,0,0,0,0|3,0,0]=4 120 B12R1.23 NC1=CC(=CC=C1O)S(=O)(=O)N S448028 [0,1,0,0,0,0|2,0,1]=4 121 B12R1.23 NC1=CC=C(C=C1Cl)S(=O)(=O)O S438774 [0,1,0,0,0,0|3,0,0]=4 122 B12R1.23 O=S(=O)(O)C1=CC=C(C(=C1)F)F PH014373 [0,1,0,0,0,0|3,0,0]=4 123 B12R1.23 O=S(=O)(O)C1=CC=C(C(=C1)F)F PH018106 [0,1,0,0,0,0|3,0,0]=4 124 B12R1.23 O=S(=O)(O)C1=CC=C(C(=C1)O)O PH006902 [0,1,0,0,0,0|1,0,0]=2 125 B12R1.48 CC1=CC(=CC=C1C#N)C(=O)O CDS021252 [0,1,0,0,0,0|2,0,0]=3 126 B12R1.48 COC1=C(C=C(C=C1)C(=O)C)N PH011636 [0,1,0,0,0,0|2,0,0]=3 127 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)Br S561681 [0,1,0,0,0,0|1,0,0]=2 128 B12R1.48 COC1=C(C=C(C=C1)C(=S)N)Br OTV000260 [0,1,0,0,0,0|2,1,0]=4 129 B12R1.48 COC1=C(C=C(N=C1)C(=O)O)O CBR02407 [0,1,0,0,0,0|1,0,0]=2 130 B12R1.48 COC1=CC=C(C=C1C)C(=O)O CDS002965 [0,1,0,0,0,0|1,0,0]=2 131 B12R1.48 COC1=CC=C(C=C1Cl)C(=O)N L480983 [0,1,0,0,0,0|2,0,0]=3 132 B12R1.48 COC1=CC=C(C=C1Cl)S(=O)[O-] S812595 [0,1,0,0,0,0|2,0,1]=4 133 B12R1.48 COC1=CC=C(C=C1Cl)[N+](=O)[O-] PH010986 [0,1,0,0,0,0|2,0,1]=4 134 B12R1.48 COC1=CC=C(C=C1I)[N+](=O)[O-] S362816 [0,1,0,0,0,0|2,0,1]=4 135 B12R1.48 COC1=CC=C(C=C1O)B(O)O CDS019414 [0,1,0,0,0,0|1,0,1]=3 136 B12R1.48 COC1=CC=C(C=C1[O-])[N+](=O)[O-] CDS013563 [0,1,0,0,0,0|1,0,2]=4 137 B12R1.48 N#CC1=C(C=C(C=C1)[N+](=O)[O-])O JRD0771 [0,1,0,0,0,0|2,0,1]=4 138 B12R1.48 N#CC1=CC=C(C=C1Br)C(=O)O CDS004195 [0,1,0,0,0,0|2,0,0]=3 139 B12R1.56 CC1=CC=C(C=C1CO)[N+](=O)[O-] S310832 [0,1,0,0,0,0|2,0,1]=4 140 B12R1.56 COC1=C(C=CC(=C1)C(=S)N)O VBP00049 [0,1,0,0,0,0|1,1,0]=3 141 B12R1.56 COC1=C(N=CC(=C1)C(=O)O)O ADE000652 [0,1,0,0,0,0|1,0,0]=2 142 B12R1.56 COC1=CC(=CC=C1Br)C(=O)O CDS005772 [0,1,0,0,0,0|1,0,0]=2 143 B12R1.56 COC1=CC(=CC=C1C)B(O)O CDS020070 [0,1,0,0,0,0|2,0,1]=4 144 B12R1.56 COC1=CC(=CC=C1Cl)B(O)O CDS007828 [0,1,0,0,0,0|2,0,1]=4 145 B12R1.56 COC1=CC(=CC=C1Cl)C(=O)O ANV00031 [0,1,0,0,0,0|1,0,0]=2 146 B12R1.56 COC1=CC(=CC=C1F)B(O)O CDS004272 [0,1,0,0,0,0|2,0,1]=4 147 B12R1.56 COC1=CC(=CC=C1I)[N+](=O)[O-] S362824 [0,1,0,0,0,0|2,0,1]=4 148 B12R1.56 COC1=NC(=CC=C1Br)C(=O)O CDS023922 [0,1,0,0,0,0|2,0,0]=3 149 B12R1.56 NC(=O)C1=CC=C(C(=C1)C=O)F PH018747 [0,1,0,0,0,0|2,0,1]=4 150 B12R1.232 CC(=O)C1=C(C=C(C(=C1)C)C)C S413607 [0,1,0,0,0,0|3,0,0]=4 151 B12R1.232 CC(=O)C1=C(C=C(C(=C1)C)O)C S946222 [0,1,0,0,0,0|2,0,0]=3 152 B12R1.232 CC(=O)C1=CC(=C(C=C1C)C)N S764752 [0,1,0,0,0,0|3,0,0]=4 153 B12R1.232 CC(=O)C1=CC(=C(C=C1O)C)C PH010635 [0,1,0,0,0,0|3,0,0]=4 154 B12R1.232 CC(=O)C1=CC(=C(C=C1O)C)O R151963 [0,1,0,0,0,0|2,0,0]=3 155 B12R1.232 CC(=O)C1=CC(=C(C=C1O)Cl)Cl PH000500 [0,1,0,0,0,0|3,0,0]=4 156 B12R1.232 CC(=O)C1=CC(=C(C=C1O)O)Cl IDF00011 [0,1,0,0,0,0|2,0,0]=3 157 B12R1.232 CC1=C(C=C(C(=C1)N)C(=O)N)F CDS024448 [0,1,0,0,0,0|3,0,0]=4 158 B12R1.232 CC1=C(C=C(C(=C1)O)C(=O)O)C JRD0550 [0,1,0,0,0,0|2,0,0]=3 159 B12R1.232 CC1=C(C=C(C(=C1)O)C(=O)O)Cl JRD0551 [0,1,0,0,0,0|2,0,0]=3 160 B12R1.232 CC1=C(NC(=O)C(=C1)C(=O)O)C CBR00208 [0,1,0,0,0,0|3,0,0]=4 161 B12R1.232 CC1=CC(=C(C=C1C(=O)O)F)F CDS013819 [0,1,0,0,0,0|2,0,0]=3 162 B12R1.232 CC1=CC(=C(C=C1I)C(=O)O)I T304727 [0,1,0,0,0,0|2,0,0]=3 163 B12R1.232 CC1=CC(=O)C(=CN1C)C(=O)O T139262 [0,1,0,0,0,0|3,0,0]=4 164 B12R1.232 NC1=CC(=C(C=C1Cl)C(=O)O)O PH008049 [0,1,0,0,0,0|2,0,0]=3 165 B12R1.232 O=C(O)C1=C(C=C(C(=C1)I)F)F MNO000199 [0,1,0,0,0,0|2,0,0]=3 166 B12R1.232 O=C(O)C1=CC(=C(C=C1F)F)Cl CDS003243 [0,1,0,0,0,0|2,0,0]=3 167 B12R1.232 O=C(O)C1=CC(=C(C=C1O)O)O L168718 [0,1,0,0,0,0|0,0,0]=1 168 B12R1.232 O=[N+]([O-])C1=C(C=C(C(=C1)F)O)F CDS006679 [0,1,0,0,0,0|2,0,1]=4 169 B12R1.232 O=[N+]([O-])C1=C(C=C(C(=C1)O)Cl)F R548561 [0,1,0,0,0,0|2,0,1]=4 170 B12R1.232 O=[N+]([O-])C1=CC(=C(C=C1F)F)O CDS016495 [0,1,0,0,0,0|2,0,1]=4 171 B12R1.367 CC1=C(C=C(C=C1)/C(=N/N)/O)I JRD1340 [0,1,0,0,0,0|3,0,0]=4 172 B12R1.367 CC1=C(C=C(C=C1)C(=O)CCl)C OTV000344 [0,1,0,0,0,0|3,0,0]=4 173 B12R1.367 CC1=C(C=CC(=C1)C(=O)CCl)O PH016234 [0,1,0,0,0,0|2,0,0]=3 174 B12R1.367 CCC(=O)C1=CC=C(C(=C1)C)C OTV000603 [0,1,0,0,0,0|3,0,0]=4 175 B12R1.367 CCC(=O)C1=CC=C(C(=C1)O)O PH011570 [0,1,0,0,0,0|1,0,0]=2 176 B12R1.367 CCC(C)C1=CC=C(C(=C1)O)O PH007367 [0,1,0,0,0,0|2,0,1]=4 177 B12R1.367 CNC(=O)C1=CC(=C(C=C1)C)N CBR00280 [0,1,0,0,0,0|3,0,0]=4 178 B12R1.367 CNC(=O)C1=CC=C(C(=C1)Cl)Cl PH007550 [0,1,0,0,0,0|3,0,0]=4 179 B12R1.367 CNC(=O)C1=CC=C(C(=C1)N)Cl PH009943 [0,1,0,0,0,0|3,0,0]=4 180 B12R1.367 COC(=O)C1=CC(=C(C=C1)C)C PH000182 [0,1,0,0,0,0|2,0,0]=3 181 B12R1.367 COC(=O)C1=CC(=C(C=C1)N)O CDS014285 [0,1,0,0,0,0|1,0,0]=2 182 B12R1.367 COC(=O)C1=CC(=C(C=C1)O)N CDS014143 [0,1,0,0,0,0|1,0,0]=2 183 B12R1.367 COC(=O)C1=CC(=O)C(=CO1)O PH009864 [0,1,0,0,0,0|1,0,1]=3 184 B12R1.367 COC(=O)C1=CC=C(C(=C1)Br)O CDS011072 [0,1,0,0,0,0|1,0,0]=2 185 B12R1.367 COC(=O)C1=CC=C(C(=C1)Cl)O PH011381 [0,1,0,0,0,0|1,0,0]=2 186 B12R1.367 COC(=O)C1=CN(C(=O)C=C1)C S954683 [0,1,0,0,0,0|2,0,1]=4 187 B12R1.367 N/C(=N/O)/C1=CC=C(C(=C1)F)F BOG00015 [0,1,0,0,0,0|3,0,0]=4 188 B12R1.367 N/C(=N/O)/C1=CC=C(C(=C1)O)O BOG00049 [0,1,0,0,0,0|1,0,0]=2 189 B12R1.367 NNC(=O)C1=CC=C(C(=C1)Cl)Cl PH005173 [0,1,0,0,0,0|3,0,0]=4 190 B12R1.367 O=C(CBr)C1=CC(=C(C=C1)F)Cl L446610 [0,1,0,0,0,0|3,0,0]=4 191 B12R1.367 O=C(CBr)C1=CC=C(C(=C1)F)F CDS016555 [0,1,0,0,0,0|3,0,0]=4 192 B12R1.367 O=C(CCl)C1=CC(=C(C=C1)O)Cl PH015360 [0,1,0,0,0,0|2,0,0]=3 193 B12R1.367 O=C(NO)C1=CC=C(C(=C1)O)O PH005131 [0,1,0,0,0,0|0,0,0]=1 194 B12R1.893 CC1=C(C(=CC=C1C(=O)O)F)Cl PH017348 [0,1,0,0,0,0|2,0,0]=3 195 B12R1.893 CC1=C(C(=CC=C1O)C(=O)O)O S947814 [0,1,0,0,0,0|1,0,0]=2 196 B12R1.893 CC1=C(C(=CC=C1O)[N+](=O)[O-])O S861006 [0,1,0,0,0,0|2,0,1]=4 197 B12R1.893 CC1=C(C(=CC=C1[N+](=O)[O-])O)Br S196134 [0,1,0,0,0,0|2,0,1]=4 198 B12R1.893 CC1=C(C=CC(=C1N)C(=O)O)Cl T276375 [0,1,0,0,0,0|2,0,0]=3 199 B12R1.893 CC1=CC=C(C(=O)N1C)C(=O)O CDS002379 [0,1,0,0,0,0|3,0,0]=4 200 B12R1.893 O=C(Cl)C1=C(C(=C(C=C1)F)F)F T341576 [0,1,0,0,0,0|3,0,0]=4 201 B12R1.893 O=C(O)C1=CC=C(C(=C1Cl)F)Cl MNO000056 [0,1,0,0,0,0|2,0,0]=3 202 B12R1.893 O=C(O)C1=CC=C(C(=C1F)Cl)F CDS001173 [0,1,0,0,0,0|2,0,0]=3 203 B12R1.893 O=C(O)C1=CC=C(C(=C1F)F)O CDS008686 [0,1,0,0,0,0|1,0,0]=2 204 B12R1.1005 CC(=O)C1=CC(=C(C(=C1)Cl)O)Cl IDF00024 [0,1,0,0,0,0|2,0,0]=3 205 B12R1.1005 CC1=C(C(=CC(=C1)C(=O)O)N)Cl PH015483 [0,1,0,0,0,0|2,0,0]=3 206 B12R1.1005 CC1=C(C(=O)C=C(O1)C(=O)O)C T310166 [0,1,0,0,0,0|2,0,1]=4 207 B12R1.1005 CC1=C(C=C(C=C1Cl)C(=O)O)N PH018740 [0,1,0,0,0,0|2,0,0]=3 208 B12R1.1005 CC1=C(C=C(C=C1N)C(=O)O)N PH011653 [0,1,0,0,0,0|2,0,0]=3 209 B12R1.1005 CC1=CC(=CC(=C1Br)C)C(=O)N CDS019647 [0,1,0,0,0,0|3,0,0]=4 210 B12R1.1005 CC1=CC(=CC(=C1O)C)C(=O)O PH000053 [0,1,0,0,0,0|1,0,0]=2 211 B12R1.1005 NC1=CC(=CC(=C1Cl)Cl)C(=O)O PH015088 [0,1,0,0,0,0|2,0,0]=3 212 B12R1.1005 O=C(Cl)C1=CC(=C(C(=C1)I)I)I S872946 [0,1,0,0,0,0|3,0,0]=4 213 B12R1.1005 O=C(O)C1=CC(=C(C(=C1)Cl)F)F CDS022145 [0,1,0,0,0,0|2,0,0]=3 214 B12R1.1005 O=C(O)C1=CC(=C(C(=C1)O)O)Br S843792 [0,1,0,0,0,0|0,0,0]=1 215 B12R1.1005 O=C([O-])C1=CC(=C(C(=C1)O)O)O CDS018059 [0,1,0,0,0,0|0,0,1]=2 216 B12R1.1005 O=[N+]([O-])C1=CC(=C(C(=C1)F)O)F PH011704 [0,1,0,0,0,0|2,0,1]=4 217 B10R1.58 CC1=C(OC(=C1)C(=O)O)C CDS011379 [0,0,0,0,1,0|3,0,0]=4 218 B10R1.58 O=C(O)C1=CC(=C(S1)Br)Br PH010473 [0,0,0,0,1,0|3,0,0]=4 219 B10R1.194 CC1=CC=C(N1C)C(=O)O CBR01594 [0,0,0,0,1,0|3,0,0]=4 220 B12R1.19 CC(=O)NC1=CC(=C(C=C1)C)Cl S753084 [0,0,0,0,0,1|3,0,0]=4 221 B12R1.19 CC(=O)NC1=CC(=C(C=C1)Cl)C S752061 [0,0,0,0,0,1|3,0,0]=4 222 B12R1.19 CC(=O)NC1=CC(=C(C=C1)Cl)Cl S360244 [0,0,0,0,0,1|3,0,0]=4 223 B12R1.19 CC(=O)NC1=CC(=C(C=C1)F)Cl S388254 [0,0,0,0,0,1|3,0,0]=4 224 B12R1.19 CC(=O)NC1=CC(=C(C=C1)F)F S500682 [0,0,0,0,0,1|3,0,0]=4 225 B12R1.19 CC(=O)NC1=CC(=C(C=C1)I)C L168084 [0,0,0,0,0,1|3,0,0]=4 226 B12R1.19 CC(=O)NC1=CC=C(C(=C1)C)N CBR02022 [0,0,0,0,0,1|3,0,0]=4 227 B12R1.19 CC(=O)NC1=CC=C(C(=C1)N)C CBR00068 [0,0,0,0,0,1|3,0,0]=4 228 B12R1.19 CC(=O)OC1=CC(=C(C=C1)C)C S240591 [0,0,0,0,0,1|3,0,0]=4 229 B12R1.19 CC1=CC=C(C=C1C)NC(=O)N S576050 [0,0,0,0,0,1|3,0,0]=4 230 B12R1.19 CC1=CC=C(C=C1Cl)NC(=O)N S534447 [0,0,0,0,0,1|3,0,0]=4 231 B12R1.19 O=C(Cl)CC1=CC=C(C(=C1)Cl)Cl PH016732 [0,0,0,0,0,1|3,0,0]=4 232 B12R1.19 O=C(Cl)CC1=CC=C(C(=C1)F)F CDS012016 [0,0,0,0,0,1|3,0,0]=4 233 B12R1.19 O=C(O)CC1=CC=C(C(=C1)Br)O CDS004577 [0,0,0,0,0,1|1,0,0]=2 234 B12R1.19 O=C(O)CC1=CC=C(C(=C1)F)Cl CDS022092 [0,0,0,0,0,1|2,0,0]=3 235 B9R1.1 C(=O)C1=CC=C(C=N1)Cl CDS015696 [2,0,0,0,0,0|2,0,0]=4 236 B9R1.1 C(=O)C1=CC=C(C=N1)Cl SYX00294 [2,0,0,0,0,0|2,0,0]=4 237 B9R1.1 CC1=CC=C(N=C1)C=O SYX00325 [2,0,0,0,0,0|2,0,0]=4 238 B9R1.1 O=CC1=CC=C(C=N1)F CDS005163 [2,0,0,0,0,0|2,0,0]=4 239 B9R1.1 O=CC1=CC=C(N=C1)O CDS004063 [2,0,0,0,0,0|1,0,0]=3 240 B9R1.1 O=CC1=CNC(=O)C=C1 CDS007603 [2,0,0,0,0,0|1,0,1]=4 241 B9R1.6 O=C(Cl)C1=CC=CN=C1 TMT00021 [2,0,0,0,0,0|2,0,0]=4 242 B9R1.6 O=C(Cl)C1=NC=CC=C1 CDS000333 [2,0,0,0,0,0|2,0,0]=4 243 B9R1.6 O=C(O)C1=CC=CC=N1 S172049 [2,0,0,0,0,0|1,0,0]=3 244 B9R1.6 O=C(O)C1=CC=CC=N1 S488666 [2,0,0,0,0,0|1,0,0]=3 245 B9R1.6 O=C(O)C1=CN=CN=C1 CDS003995 [2,0,0,0,0,0|2,0,0]=4 246 B9R1.6 O=C(O)C1C=CCC=C1 T167908 [2,0,0,0,0,0|0,0,2]=4 247 B9R1.6 O=C([O-])C1=CC=CC=C1 S518174 [2,0,0,0,0,0|0,0,1]=3 248 B9R1.6 O=S(O)C1=CC=CC=C1 S812617 [2,0,0,0,0,0|1,0,0]=3 249 B9R1.2 C(=O)C1=CC=CC(=N1)F CDS021920 [2,0,0,0,0,0|2,0,0]=4 250 B9R1.2 CC1=CC(=CC=C1)[IH2]=O T330566 [2,0,0,0,0,0|2,0,0]=4 251 B9R1.2 CC1=CN=CC(=C1)C=O CDS015706 [2,0,0,0,0,0|2,0,0]=4 252 B9R1.2 CSC1=CC=CC(=C1)O KOB0118 [2,0,0,0,0,0|2,0,0]=4 253 B9R1.2 NCC1=CC(=CC=C1)O CDS016848 [2,0,0,0,0,0|1,0,1]=4 254 B9R1.2 O=CC1=CC(=CN=C1)Cl ADE000371 [2,0,0,0,0,0|2,0,0]=4 255 B9R1.2 O=CC1=CC(=CN=C1)I ADE000370 [2,0,0,0,0,0|2,0,0]=4 256 B9R1.2 O=CC1=CC=NC(=C1)O CDS008008 [2,0,0,0,0,0|1,0,0]=3 257 B9R1.69 CC1=C(C=C(C=C1)F)O CDS003102 [2,0,0,0,0,0|2,0,0]=4 258 B9R1.69 CC1=C(C=CC(=C1)O)N S430048 [2,0,0,0,0,0|2,0,0]=4 259 B9R1.69 CC1=CC=C(C(=C1)F)O CDS010738 [2,0,0,0,0,0|1,0,1]=4 260 B9R1.69 CC1=CC=C(C=C1F)O CDS000245 [2,0,0,0,0,0|2,0,0]=4 261 B9R1.69 NC1=CC=C(C(=C1)O)N S579009 [2,0,0,0,0,0|2,0,0]=4 262 B9R1.69 O=C1C=C(C(=CN1)Cl)O CDS022751 [2,0,0,0,0,0|2,0,0]=4 263 B9R1.69 OC1=CC(=C(C=C1)Br)Cl CDS001095 [2,0,0,0,0,0|2,0,0]=4 264 B9R1.69 OC1=CC(=CC=C1Cl)Br CDS003254 [2,0,0,0,0,0|2,0,0]=4 265 B9R1.69 OC1=CC(=CN=C1O)Cl S453668 [2,0,0,0,0,0|2,0,0]=4 266 B9R1.69 OC1=CC=C(C(=C1)Br)Cl CDS020664 [2,0,0,0,0,0|2,0,0]=4 267 B11R0.150 C(=C(/C)\C(=O)O)\C=C(\C)/C(=O)O S438316 [0,1,1,0,0,0|1,0,1]=4 268 B11R0.145 COC(=O)/C(=C/C=C/C(=O)O)/C S890944 [0,1,1,0,0,0|2,0,0]=4 269 B11R1.3 C#CC1=CC=C(C=C1)C(=O)[O-] CDS000957 [1,1,0,0,0,0|1,0,1]=4 270 B11R1.3 CCC1=CC=C(C=C1)C(=O)N TMT00666 [1,1,0,0,0,0|2,0,0]=4 271 B11R1.3 COC1=CC=C(C=C1)C(=N)N CDS006449 [1,1,0,0,0,0|2,0,0]=4 272 B11R1.3 COC1=CC=C(C=C1)[Te](=O)Cl S50289 [1,1,0,0,0,0|2,0,0]=4 273 B11R1.3 COC1=CN=C(C=N1)C(=O)O CDS021112 [1,1,0,0,0,0|2,0,0]=4 274 B11R1.3 COC1=NC=C(C=C1)C(=O)O CDS003134 [1,1,0,0,0,0|1,0,0]=3 275 B11R1.3 NC(=O)C1=CC=C(C=C1)CBr CDS007483 [1,1,0,0,0,0|2,0,0]=4 276 B11R1.3 O=C(Cl)C1=CC=C(C=C1)CBr S283436 [1,1,0,0,0,0|2,0,0]=4 277 B11R1.3 O=C(O)C1=CC=C(N=C1)CBr CDS023271 [1,1,0,0,0,0|2,0,0]=4 278 B11R1.3 O=C([O-])C1=CC=C(C=C1)[Hg]O S560510 [1,1,0,0,0,0|0,0,1]=3 279 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O OMC00049 [1,1,0,0,0,0|2,0,0]=4 280 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O OMC00050 [1,1,0,0,0,0|2,0,0]=4 281 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O PH013111 [1,1,0,0,0,0|2,0,0]=4 282 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O PH013337 [1,1,0,0,0,0|2,0,0]=4 283 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O PH013753 [1,1,0,0,0,0|2,0,0]=4 284 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O R162280 [1,1,0,0,0,0|2,0,0]=4 285 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O R466972 [1,1,0,0,0,0|2,0,0]=4 286 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S430110 [1,1,0,0,0,0|2,0,0]=4 287 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S500577 [1,1,0,0,0,0|2,0,0]=4 288 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S500623 [1,1,0,0,0,0|2,0,0]=4 289 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S656747 [1,1,0,0,0,0|2,0,0]=4 290 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S822663 [1,1,0,0,0,0|2,0,0]=4 291 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S862304 [1,1,0,0,0,0|2,0,0]=4 292 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S862495 [1,1,0,0,0,0|2,0,0]=4 293 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S862509 [1,1,0,0,0,0|2,0,0]=4 294 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S862517 [1,1,0,0,0,0|2,0,0]=4 295 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S862541 [1,1,0,0,0,0|2,0,0]=4 296 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S862568 [1,1,0,0,0,0|2,0,0]=4 297 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S896683 [1,1,0,0,0,0|2,0,0]=4 298 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O T181021 [1,1,0,0,0,0|2,0,0]=4 299 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O T181307 [1,1,0,0,0,0|2,0,0]=4 300 B11R1.19 NS(=O)(=O)C1=CC=C(C=C1)O PH006892 [1,1,0,0,0,0|1,0,1]=4 301 B11R1.19 O=P(O)(O)C1=CC=C(C=C1)Br S915874 [1,1,0,0,0,0|2,0,0]=4 302 B11R1.19 O=P(O)(O)C1=CC=C(C=C1)Cl S859192 [1,1,0,0,0,0|2,0,0]=4 303 B11R1.19 O=S(=O)([O-])C1=CC=C(C=C1)O S573213 [1,1,0,0,0,0|1,0,1]=4 304 B11R1.22 C/C(=N/O)/C1=CC=C(C=C1)Br PH008404 [1,1,0,0,0,0|2,0,0]=4 305 B11R1.22 C/C(=N\O)/C1=CC=C(C=C1)N PH010926 [1,1,0,0,0,0|2,0,0]=4 306 B11R1.22 C/C(=N\O)/C1=CC=C(C=C1)O PH004057 [1,1,0,0,0,0|1,0,0]=3 307 B11R1.22 CC1=CC=C(C=C1)/C(=N\O)/C S682802 [1,1,0,0,0,0|2,0,0]=4 308 B11R1.22 CC1=CC=C(C=C1)C(=O)C#N S34623 [1,1,0,0,0,0|2,0,0]=4 309 B11R1.22 CCC(=O)C1=CC=C(C=C1)N PH006875 [1,1,0,0,0,0|2,0,0]=4 310 B11R1.22 CNC(=O)C1=CC=C(C=C1)Br CDS003953 [1,1,0,0,0,0|2,0,0]=4 311 B11R1.22 CNC(=O)C1=CC=C(C=C1)C R580023 [1,1,0,0,0,0|2,0,0]=4 312 B11R1.22 CNC(=O)C1=CC=C(C=C1)F PH011769 [1,1,0,0,0,0|2,0,0]=4 313 B11R1.22 CNC(=O)C1=CC=C(C=C1)N CDS005578 [1,1,0,0,0,0|2,0,0]=4 314 B11R1.22 COC(=O)C1=CC=C(C=N1)Br CDS003613 [1,1,0,0,0,0|2,0,0]=4 315 B11R1.22 COC(=O)C1=CC=C(C=N1)O CDS005288 [1,1,0,0,0,0|1,0,0]=3 316 B11R1.22 COC(=O)C1=CC=C(N=C1)Br CDS004061 [1,1,0,0,0,0|2,0,0]=4 317 B11R1.22 COC(=O)C1=CC=[N+](C=C1)[O-] S311014 [1,1,0,0,0,0|1,0,1]=4 318 B11R1.22 N#CC(=O)C1=CC=C(C=C1)Br S148997 [1,1,0,0,0,0|2,0,0]=4 319 B11R1.22 N#CC(O)C1=CC=C(C=C1)O PH015025 [1,1,0,0,0,0|1,0,1]=4 320 B11R1.22 N/C(=N/O)/C1=CC=C(C=C1)Cl S681636 [1,1,0,0,0,0|2,0,0]=4 321 B11R1.22 NCC(=O)C1=CC=C(C=C1)Cl S138916 [1,1,0,0,0,0|2,0,0]=4 322 B11R1.22 NCC(=O)C1=CC=C(C=C1)F CDS003453 [1,1,0,0,0,0|2,0,0]=4 323 B11R1.22 O/N=C(/Cl)\C1=CC=C(C=C1)Br PH008811 [1,1,0,0,0,0|2,0,0]=4 324 B11R1.22 O/N=C(/Cl)\C1=CC=C(C=C1)Cl S52877 [1,1,0,0,0,0|2,0,0]=4 325 B11R1.22 O/N=C(/Cl)\C1=CC=C(C=C1)Cl S759082 [1,1,0,0,0,0|2,0,0]=4 326 B11R1.22 O/N=C(/Cl)\C1=CC=C(C=C1)F PH014766 [1,1,0,0,0,0|2,0,0]=4 327 B11R1.22 O/N=C(/O)\C1=CC=C(C=C1)O S566594 [1,1,0,0,0,0|0,0,1]=3 328 B11R1.22 O/N=C(\Cl)/C1=CC=C(C=C1)Br PH010308 [1,1,0,0,0,0|2,0,0]=4 329 B11R1.22 O=C(CBr)C1=CC=C(C=C1)O CDS013566 [1,1,0,0,0,0|1,0,0]=3 330 B11R1.22 O=C(CCl)C1=CC=C(C=C1)Br S852406 [1,1,0,0,0,0|2,0,0]=4 331 B11R1.22 O=C(CCl)C1=CC=C(C=C1)O S313750 [1,1,0,0,0,0|1,0,0]=3 332 B11R1.166 CC(=O)C1=C(C=C(C=C1)Br)F SYX00307 [1,1,0,0,0,0|2,0,0]=4 333 B11R1.166 CC(=O)C1=CC=C(C=C1O)Br JRD0831 [1,1,0,0,0,0|2,0,0]=4 334 B11R1.166 CC(=O)C1=CC=C(C=C1O)N CDS015316 [1,1,0,0,0,0|2,0,0]=4 335 B11R1.166 CC1=C(C=C[N+](=C1)[O-])C(=O)O T161675 [1,1,0,0,0,0|1,0,1]=4 336 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)F CDS003230 [1,1,0,0,0,0|1,0,0]=3 337 B11R1.166 CC1=CC(=C(C=N1)C(=O)O)C CDS011445 [1,1,0,0,0,0|2,0,0]=4 338 B11R1.166 CC1=CC(=C(C=N1)C(=O)O)O PH011699 [1,1,0,0,0,0|2,0,0]=4 339 B11R1.166 CC1=CC(=CC=C1B(O)O)O CDS020052 [1,1,0,0,0,0|1,0,1]=4 340 B11R1.166 CC1=CC(=CN=C1C(=O)O)Br CDS022505 [1,1,0,0,0,0|2,0,0]=4 341 B11R1.166 CC1=CC=C(C(=C1)O)C(=O)N CDS013983 [1,1,0,0,0,0|2,0,0]=4 342 B11R1.166 CC1=CC=C(C(=N1)C)C(=O)O CDS013247 [1,1,0,0,0,0|2,0,0]=4 343 B11R1.166 NC(=O)C1=C(C=C(C=C1)N)Cl CBR00399 [1,1,0,0,0,0|2,0,0]=4 344 B11R1.166 NC(=O)C1=CC=C(C=C1N)Br BBO000418 [1,1,0,0,0,0|2,0,0]=4 345 B11R1.166 NC(=O)C1=CC=C(C=C1N)Cl BBO000415 [1,1,0,0,0,0|2,0,0]=4 346 B11R1.166 NC1=CC(=C(C=C1)C(=O)O)N CDS000040 [1,1,0,0,0,0|1,0,0]=3 347 B11R1.166 NC1=CC(=CN=C1C(=O)O)Br ADE000138 [1,1,0,0,0,0|2,0,0]=4 348 B11R1.166 NC1=CC=C(C(=C1)O)C(=O)[O-] S561061 [1,1,0,0,0,0|1,0,1]=4 349 B11R1.166 O=C(O)C1=C(C=C(C=C1)O)Cl TMT00164 [1,1,0,0,0,0|0,0,0]=2 350 B11R1.166 O=C(O)C1=CC=C(C=C1F)O CDS002815 [1,1,0,0,0,0|0,0,0]=2 351 B11R1.166 O=C(O)C1=CC=C(C=C1O)S PH007026 [1,1,0,0,0,0|0,1,0]=3 352 B11R1.166 O=C(O)C1=CC=C(N=C1Cl)Br ADE000582 [1,1,0,0,0,0|2,0,0]=4 353 B11R1.166 O=C(O)C1=NC=C(C=C1F)Br ADE000140 [1,1,0,0,0,0|2,0,0]=4 354 B11R1.23 CC1=CC(=CC=C1)C(=O)NN PH011383 [1,1,0,0,0,0|2,0,0]=4 355 B11R1.23 CCC(=O)C1=CC=CC(=C1)C PH014761 [1,1,0,0,0,0|2,0,0]=4 356 B11R1.23 CCC(=O)C1=CC=CC(=C1)N PH011160 [1,1,0,0,0,0|2,0,0]=4 357 B11R1.23 CCC(=O)C1=CC=CC(=C1)O PH010905 [1,1,0,0,0,0|1,0,0]=3 358 B11R1.23 CNC(=O)C1=CC(=CC=C1)N CDS003178 [1,1,0,0,0,0|2,0,0]=4 359 B11R1.23 CNC(=O)C1=CC(=CC=C1)O EME00408 [1,1,0,0,0,0|1,0,0]=3 360 B11R1.23 CNC(=O)C1=CC=CC(=C1)C PH007559 [1,1,0,0,0,0|2,0,0]=4 361 B11R1.23 CNC(=O)C1=CC=CC(=C1)Cl PH011022 [1,1,0,0,0,0|2,0,0]=4 362 B11R1.23 COC(=O)C1=CC(=CC=N1)Br CDS014039 [1,1,0,0,0,0|2,0,0]=4 363 B11R1.23 COC(=O)C1=CC(=CC=N1)N CDS021624 [1,1,0,0,0,0|2,0,0]=4 364 B11R1.23 COC(=O)C1=CC(=NC=C1)I ADE000319 [1,1,0,0,0,0|2,0,0]=4 365 B11R1.23 COC(=O)C1=CC=CC(=C1)F CDS020886 [1,1,0,0,0,0|1,0,0]=3 366 B11R1.23 COC(=O)C1=CC=CC(=N1)N CDS005987 [1,1,0,0,0,0|2,0,0]=4 367 B11R1.23 COC(=O)C1=CN=CC(=C1)C PH016250 [1,1,0,0,0,0|2,0,0]=4 368 B11R1.23 COC(=O)C1=CN=CC(=C1)F CDS020854 [1,1,0,0,0,0|2,0,0]=4 369 B11R1.23 COC(=O)C1=C[N+](=CC=C1)C S385360 [1,1,0,0,0,0|2,0,0]=4 370 B11R1.23 COC(=O)C1=NC(=CC=C1)I ADE000338 [1,1,0,0,0,0|2,0,0]=4 371 B11R1.23 COC(=O)C1=NC=CC(=C1)Cl ADE000255 [1,1,0,0,0,0|2,0,0]=4 372 B11R1.23 COC(=O)C1=NC=CC(=C1)Cl ADE000348 [1,1,0,0,0,0|2,0,0]=4 373 B11R1.23 COC(=O)[N+]1=CC(=CC=C1)C R434086 [1,1,0,0,0,0|2,0,0]=4 374 B11R1.23 NNC(=O)C1=CC=CC(=C1)Cl PH009753 [1,1,0,0,0,0|2,0,0]=4 375 B11R1.23 O=C(NO)C1=CC(=CC=C1)Cl PH010173 [1,1,0,0,0,0|1,0,0]=3 376 B11R1.23 OC1=CC=CC(=C1)C(CN)O TMT00167 [1,1,0,0,0,0|1,0,1]=4 377 B11R1.74 CC1=CC(=CC(=C1)B(O)O)O CDS024139 [1,1,0,0,0,0|1,0,1]=4 378 B11R1.74 CC1=CC(=CC(=C1)C(=O)Cl)C CDS000426 [1,1,0,0,0,0|2,0,0]=4 379 B11R1.74 CC1=CC(=CC(=C1)C(=O)O)Br S17907 [1,1,0,0,0,0|1,0,0]=3 380 B11R1.74 CC1=CC(=O)C=C(N1)C(=O)O CBR02144 [1,1,0,0,0,0|1,0,1]=4 381 B11R1.74 CC1=CC(=O)C=C(O1)C(=O)O CBR01516 [1,1,0,0,0,0|1,0,1]=4 382 B11R1.74 NC(=O)C1=CC(=CC(=C1)O)O S360600 [1,1,0,0,0,0|1,0,0]=3 383 B11R1.74 NC1=CC(=CC(=C1)C(=O)O)O PH011754 [1,1,0,0,0,0|0,0,0]=2 384 B11R1.74 O=C(O)C1=CC(=NC(=C1)F)F CDS001979 [1,1,0,0,0,0|2,0,0]=4 385 B11R1.74 O=C(O)C1=CC(=NC(=N1)S)O S409146 [1,1,0,0,0,0|2,0,0]=4 386 B11R1.74 OB(O)C1=CC(=CC(=C1)F)O CDS007717 [1,1,0,0,0,0|1,0,1]=4 387 B11R1.155 CC1=CC(=CC=C1)P(=O)(O)O S915750 [1,1,0,0,0,0|2,0,0]=4 388 B11R1.159 CC(=O)C1=CC=CC(=C1Cl)Cl CDS003602 [1,1,0,0,0,0|2,0,0]=4 389 B11R1.159 CC(=O)C1=CC=CC(=C1N)O CDS000114 [1,1,0,0,0,0|1,0,0]=3 390 B11R1.159 CC1=C(C=CC=C1C(=O)O)O PH005167 [1,1,0,0,0,0|0,0,0]=2 391 B11R1.159 CC1=C(C=CC=C1N)C(=O)N TMT00436 [1,1,0,0,0,0|2,0,0]=4 392 B11R1.159 CC1=CC=CC(=C1C)C(=O)Cl CDS001566 [1,1,0,0,0,0|2,0,0]=4 393 B11R1.159 CC1=CC=CC(=C1C)C(=O)N PH011109 [1,1,0,0,0,0|2,0,0]=4 394 B11R1.159 CC1=CC=CC(=C1Cl)C(=O)O CDS000445 [1,1,0,0,0,0|1,0,0]=3 395 B11R1.159 CC1=[N+](C(=CC=C1)C(=O)O)[O-] PH008188 [1,1,0,0,0,0|2,0,0]=4 396 B11R1.159 CN1C=CC=C(C1=O)C(=O)O CDS019650 [1,1,0,0,0,0|2,0,0]=4 397 B11R1.159 NC1=C(C=CC=C1Br)C(=O)O CDS004818 [1,1,0,0,0,0|1,0,0]=3 398 B11R1.159 NC1=C(C=CC=C1F)C(=O)O CDS000074 [1,1,0,0,0,0|1,0,0]=3 399 B11R1.159 NC1=C(C=CC=C1O)C(=O)O CDS000116 [1,1,0,0,0,0|0,0,0]=2 400 B11R1.159 O=C(Cl)C1=CC=CC(=C1Cl)Cl CDS001447 [1,1,0,0,0,0|2,0,0]=4 401 B11R1.159 O=C(O)C1=C(C(=NC=C1)Br)F CDS021224 [1,1,0,0,0,0|2,0,0]=4 402 B11R1.159 O=C(O)C1=C(C(=NC=C1)Br)I ADE000327 [1,1,0,0,0,0|2,0,0]=4 403 B11R1.159 O=C(O)C1=C(C(=NC=C1)Cl)O PH015440 [1,1,0,0,0,0|2,0,0]=4 404 B11R1.159 O=C(O)C1=CC=CC(=C1Br)F CDS002241 [1,1,0,0,0,0|1,0,0]=3 405 B11R1.159 O=[N+]([O-])C1=C(C(=CC=C1)O)O PH000226 [1,1,0,0,0,0|1,0,1]=4 406 B11R1.159 OB(O)C1=CC=CC(=C1F)O CDS022372 [1,1,0,0,0,0|1,0,1]=4 407 B11R1.167 CC(=O)C1=CC(=CC=C1F)Br KOB0158 [1,1,0,0,0,0|2,0,0]=4 408 B11R1.167 CC1=CC(=C(C=C1)N)C(=O)N CDS003330 [1,1,0,0,0,0|2,0,0]=4 409 B11R1.167 CC1=CC(=C(C=C1)O)C(=O)N PH010267 [1,1,0,0,0,0|2,0,0]=4 410 B11R1.167 CC1=CC=C(C(=C1)C(=O)O)I CDS002953 [1,1,0,0,0,0|1,0,0]=3 411 B11R1.167 CC1=CC=C(N=C1C(=O)O)Cl ADE001383 [1,1,0,0,0,0|2,0,0]=4 412 B11R1.167 CC1=CN=C(C(=C1)C(=O)O)Cl ADE000743 [1,1,0,0,0,0|2,0,0]=4 413 B11R1.167 CC1=CN=C(C(=C1)C(=O)O)N ADE000740 [1,1,0,0,0,0|2,0,0]=4 414 B11R1.167 CC1=NC(=C(C=C1)F)C(=O)O CDS024247 [1,1,0,0,0,0|2,0,0]=4 415 B11R1.167 NC(=O)C1=C(C=CC(=C1)Cl)N PH011240 [1,1,0,0,0,0|2,0,0]=4 416 B11R1.167 NC(=O)C1=C(C=CC(=C1)Cl)O PH010903 [1,1,0,0,0,0|2,0,0]=4 417 B11R1.167 NC1=C(C=C(C=C1)Br)C(=O)O T276405 [1,1,0,0,0,0|1,0,0]=3 418 B11R1.167 NC1=C(C=C(C=N1)I)C(=O)O CVT00041 [1,1,0,0,0,0|2,0,0]=4 419 B11R1.167 NC1=CC=C(C(=C1)C(=O)O)Cl S437875 [1,1,0,0,0,0|1,0,0]=3 420 B11R1.167 NC1=CC=C(C(=C1)C(=O)O)F CDS003065 [1,1,0,0,0,0|1,0,0]=3 421 B11R1.167 NC1=CC=C(C(=C1)C(=O)O)I PH006123 [1,1,0,0,0,0|1,0,0]=3 422 B11R1.167 NC1=CC=C(C=C1C(=O)[O-])Br S837253 [1,1,0,0,0,0|1,0,1]=4 423 B11R1.167 NC1=CN=C(C=C1C(=O)O)Cl CDS012312 [1,1,0,0,0,0|2,0,0]=4 424 B11R1.167 NC1=CN=C(C=C1C(=O)O)F PH016197 [1,1,0,0,0,0|2,0,0]=4 425 B11R1.167 O=C(Cl)C1=C(C=CC(=C1)Cl)Cl CDS000617 [1,1,0,0,0,0|2,0,0]=4 426 B11R1.167 O=C(Cl)C1=CC(=CC=C1I)Br R703230 [1,1,0,0,0,0|2,0,0]=4 427 B11R1.167 O=C(Cl)C1=CC(=CC=C1I)I PH001989 [1,1,0,0,0,0|2,0,0]=4 428 B11R1.167 O=C(O)C1=CC(=CN=C1Br)Cl CDS023033 [1,1,0,0,0,0|2,0,0]=4 429 B11R1.167 O=C(O)C1=CC(=CN=C1Cl)Cl ADE000187 [1,1,0,0,0,0|2,0,0]=4 430 B11R1.167 O=C(O)C1=CC(=CN=C1O)Br CDS003972 [1,1,0,0,0,0|2,0,0]=4 431 B11R1.167 O=C(O)C1=CC(=NC=C1F)Cl CDS022137 [1,1,0,0,0,0|2,0,0]=4 432 B11R1.167 O=C(O)C1=NC(=CC=C1Cl)Br CDS023919 [1,1,0,0,0,0|2,0,0]=4 433 B11R1.167 OB(O)C1=CC(=CC=C1F)O CDS023639 [1,1,0,0,0,0|1,0,1]=4 434 B11R1.266 COC1=CC(=CC=C1)C(C)O S460761 [1,1,0,0,0,0|1,0,1]=4 435 B11R1.266 COC1=CC(=NC=C1)C(=O)N ADE000336 [1,1,0,0,0,0|2,0,0]=4 436 B11R1.266 COC1=CC(=NC=C1)C(=O)O ADE000258 [1,1,0,0,0,0|1,0,0]=3 437 B11R1.266 COC1=CC=CC(=N1)C(=O)N ADE000351 [1,1,0,0,0,0|2,0,0]=4 438 B11R1.266 COC1=CN=CC(=C1)C(=O)C ADE000464 [1,1,0,0,0,0|2,0,0]=4 439 B11R1.266 N#CC1=CC(=CC=C1)C(=O)N CDS011401 [1,1,0,0,0,0|2,0,0]=4 440 B11R1.266 N#CC1=CC(=CC=N1)C(=O)O CDS017472 [1,1,0,0,0,0|2,0,0]=4 441 B11R1.266 N#CC1=CC=CC(=N1)C(=O)O CDS021105 [1,1,0,0,0,0|2,0,0]=4 442 B11R1.266 N#CC1=CC=NC(=C1)C(=O)O CDS015447 [1,1,0,0,0,0|2,0,0]=4 443 B11R1.266 NNC1=CC(=CC=C1)C(=O)O CDS001221 [1,1,0,0,0,0|1,0,0]=3 444 B11R1.266 O=C(O)C1=CC=CC(=C1)CBr OTV000175 [1,1,0,0,0,0|1,0,0]=3 445 B11R1.266 O=C(O)C1=CC=CC(=C1)[Hg]Cl S881821 [1,1,0,0,0,0|1,0,0]=3 446 B11R1.266 O=CC1=NC(=CC=C1)C(=O)O CDS023380 [1,1,0,0,0,0|1,0,1]=4 447 B11R1.14 CC1=CC(=CC(=C1F)C)C=O CDS000866 [1,1,0,0,0,0|2,0,0]=4 448 B11R1.14 CC1=CC(=CC(=C1O)C)N=O S449989 [1,1,0,0,0,0|2,0,0]=4 449 B11R1.14 O=CC1=CC(=C(C(=C1)Cl)O)Cl CDS014555 [1,1,0,0,0,0|1,0,0]=3 450 B11R1.14 O=CC1=CC(=C(C(=C1)F)O)Br CDS024542 [1,1,0,0,0,0|1,0,0]=3 451 B11R1.14 O=CC1=CC(=C(C(=C1)O)O)Br CDS016414 [1,1,0,0,0,0|0,0,0]=2 452 B11R1.14 O=CC1=CC(=C(C(=N1)Br)O)I ADE001342 [1,1,0,0,0,0|2,0,0]=4 453 B11R1.192 C(=O)NC1=CC(=C(C=C1)C)C S399191 [1,1,0,0,0,0|2,0,0]=4 454 B11R1.192 C(=O)NC1=CC(=C(C=C1)Cl)Cl S580163 [1,1,0,0,0,0|2,0,0]=4 455 B11R1.192 CC1=C(C=C(C=C1)NC=O)Cl S714062 [1,1,0,0,0,0|2,0,0]=4 456 B11R1.192 N#CCC1=CC(=C(C=C1)O)O PH005053 [1,1,0,0,0,0|1,0,1]=4 457 B11R1.192 OCCC1=CC=C(C(=C1)Br)O S739227 [1,1,0,0,0,0|1,0,1]=4 458 B11R1.192 ON=CC1=CC=C(C(=C1)Cl)Cl PH008936 [1,1,0,0,0,0|2,0,0]=4 459 B11R1.277 CC1=CC(=C(C=C1Br)C=O)O CDS009877 [1,1,0,0,0,0|2,0,0]=4 460 B11R1.277 CC1=CC(=C(C=C1CO)C)O PH007907 [1,1,0,0,0,0|1,0,1]=4 461 B11R1.277 CC1=CC(=C(C=C1O)C)N=O PH009024 [1,1,0,0,0,0|2,0,0]=4 462 B11R1.277 O=CC1=CC(=C(C=C1Cl)O)Cl PH014528 [1,1,0,0,0,0|1,0,0]=3 463 B11R1.277 O=CC1=CC(=C(C=C1F)Br)F CDS023621 [1,1,0,0,0,0|2,0,0]=4 464 B11R1.277 O=CC1=CC(=C(C=C1O)Cl)Cl CDS009957 [1,1,0,0,0,0|2,0,0]=4 465 B11R1.278 CC1=C(C(=C(C=C1)C=O)F)F CDS001118 [1,1,0,0,0,0|2,0,0]=4 466 B11R1.278 CC1=C(C(=C(C=C1)C=O)O)C ASX00132 [1,1,0,0,0,0|2,0,0]=4 467 B11R1.278 CC1=C(C=CC(=C1C)N=O)O L168378 [1,1,0,0,0,0|2,0,0]=4 468 B11R1.279 COC1=C(N=C(C=C1)C=O)Br CDS023947 [1,1,0,0,0,0|2,0,0]=4 469 B11R1.279 COC1=C(N=C(C=C1)C=O)C PH018772 [1,1,0,0,0,0|2,0,0]=4 470 B11R1.279 COC1=CC(=C(C=C1)OC)O PH002885 [1,1,0,0,0,0|2,0,0]=4 471 B11R1.279 COC1=CC=C(C=C1C)CO PH017423 [1,1,0,0,0,0|1,0,1]=4 472 B11R1.279 COC1=COC(=CC1=O)C=O PH008671 [1,1,0,0,0,0|1,0,1]=4 473 B11R1.280 COC1=CC(=CC=C1F)CO CDS013926 [1,1,0,0,0,0|1,0,1]=4 474 B11R1.64 COC1=C(SC=C1C(=O)O)Cl CDS015144 [0,1,0,0,1,0|2,0,0]=4 475 B13R1.35 COC1=C(C=C(C=C1)NC(=O)C)Cl S941522 [0,1,0,0,0,1|2,0,0]=4 476 B13R1.35 COC1=CC=C(C=C1Br)CC(=O)O S106569 [0,1,0,0,0,1|1,0,0]=3 477 B13R1.52 COC1=C(C=CC(=C1)NC(=O)C)N R871605 [0,1,0,0,0,1|2,0,0]=4 478 B13R1.52 COC1=CC(=CC=C1F)CC(=O)C PH014745 [0,1,0,0,0,1|2,0,0]=4 479 B13R1.52 COC1=CC(=CC=C1F)CC(=O)O CDS002884 [0,1,0,0,0,1|1,0,0]=3 480 B13R1.510 NC(C(=O)O)C1=CC=C(C(=C1)F)F CDS022248 [0,1,0,0,0,1|2,0,0]=4 481 B13R1.2879 CC1=CC=C(C=C1Cl)NC(=O)NO S735493 [0,1,0,0,0,1|2,0,0]=4 482 B13R1.2879 COC(=O)CC1=CC(=C(C=C1)O)Cl PH003559 [0,1,0,0,0,1|1,0,0]=3 483 B13R1.2879 COC(=O)NC1=CC(=C(C=C1)C)C T168629 [0,1,0,0,0,1|2,0,0]=4 484 B13R1.2879 COC(=O)NC1=CC(=C(C=C1)C)Cl S625159 [0,1,0,0,0,1|2,0,0]=4 485 B13R1.2879 COC(=O)NC1=CC=C(C(=C1)Cl)Cl S606448 [0,1,0,0,0,1|2,0,0]=4 486 B13R1.3528 O=C(O)CC1=CC=C(C(=C1F)F)F CDS021465 [0,1,0,0,0,1|2,0,0]=4 487 B13R1.3763 O=C(O)CC1=CC(=C(C(=C1)F)F)F CDS003147 [0,1,0,0,0,1|2,0,0]=4 488 B13R1.806 O=C(O)C1=C(C(=O)C=C(C=C1)O)O L168327 [0,1,0,0,0,1|0,0,1]=3 489 B13R1.7922 O=S(=O)(O)C1=CC(=C(C(=C1)Cl)O)Cl S360368 [0,2,0,0,0,0|2,0,0]=4 490 B13R1.120 C=C(C)C1=CC=C(C=C1N)C(=O)O S336912 [0,2,0,0,0,0|2,0,0]=4 491 B13R1.120 CC1=C(C=CC(=C1)C(=O)O)N(C)C OTV000739 [0,2,0,0,0,0|2,0,0]=4 492 B13R1.120 O=C(O)C1=CC=C(C(=C1)Cl)B(O)O BML00166 [0,2,0,0,0,0|1,0,0]=3 493 B13R1.120 O=C(O)C1=CC=C(C(=C1)F)B(O)O CDS022752 [0,2,0,0,0,0|1,0,0]=3 494 B13R1.120 O=C(O)C1=CC=C(C(=N1)F)B(O)O CDS021307 [0,2,0,0,0,0|2,0,0]=4 495 B13R1.144 CCNC1=CC=C(C=C1N)C(=O)O R461660 [0,2,0,0,0,0|2,0,0]=4 496 B13R1.3088 CCC(=O)C1=CC(=C(C=C1)OC)C OTV000168 [0,2,0,0,0,0|2,0,0]=4 497 B13R1.3088 CCC(=O)C1=CC=C(C(=C1)N)OC R160083 [0,2,0,0,0,0|2,0,0]=4 498 B13R1.3088 COC(=O)C1=CC(=C(C=C1)OC)Cl T116866 [0,2,0,0,0,0|1,0,0]=3 499 B13R1.3088 COC(=O)C1=CC=C(C(=C1)C)CN PH019556 [0,2,0,0,0,0|2,0,0]=4 500 B13R1.3088 COC1=CC=C(C=C1O)/C(=N/O)/C S80390 [0,2,0,0,0,0|1,0,0]=3 501 B13R1.3088 COC1=CC=C(C=C1O)C(O)C#N S114057 [0,2,0,0,0,0|1,0,1]=4 502 B13R1.3091 COC1=C(N=C(C=C1)C(=O)O)OC ADE000510 [0,2,0,0,0,0|1,0,0]=3 503 B13R1.3091 COC1=C(N=CC(=C1)C(=O)O)OC ADE000644 [0,2,0,0,0,0|1,0,0]=3 504 B13R1.3091 COC1=CC=C(C=C1OC)C(=O)N PH009840 [0,2,0,0,0,0|1,0,0]=3 505 B13R1.3091 COC1=CC=C(C=C1OC)C(=S)N PH011041 [0,2,0,0,0,0|1,1,0]=4 506 B13R1.3091 COC1=CC=C(N=C1OC)C(=O)C ADE000753 [0,2,0,0,0,0|2,0,0]=4 507 B13R1.3096 COC1=C(C(=C(C=C1)C(=O)C)O)O TMT00632 [0,2,0,0,0,0|1,0,0]=3 508 B13R1.13 CC(=O)C1=CC(=CC=C1O)C(=O)O PH000237 [0,2,0,0,0,0|0,0,1]=3 509 B13R1.13 NC(=O)C1=CC=C(C(=C1)B(O)O)Cl CDS023637 [0,2,0,0,0,0|2,0,0]=4 510 B13R1.13 NC1=C(C=C(C=C1)C(=O)O)C(=O)O PH010296 [0,2,0,0,0,0|1,0,0]=3 511 B13R1.13 NC1=NC=C(C=C1C(=O)O)C(=O)O PH014259 [0,2,0,0,0,0|2,0,0]=4 512 B13R1.13 O=C(O)C1=CC=C(C(=C1)B(O)O)Cl BML00167 [0,2,0,0,0,0|1,0,0]=3 513 B13R1.49 CCC(=O)C1=CC=C(C(=C1)CCl)O S218766 [0,2,0,0,0,0|2,0,0]=4 514 B13R1.49 CNC(=O)C1=CC(=C(C=C1)O)OC PH001850 [0,2,0,0,0,0|1,0,0]=3 515 B13R1.49 COC(=O)C1=CC(=C(C=C1)Br)OC CDS022697 [0,2,0,0,0,0|1,0,0]=3 516 B13R1.49 COC(=O)C1=CC(=C(C=C1)Cl)CCl PH014274 [0,2,0,0,0,0|2,0,0]=4 517 B13R1.49 COC(=O)C1=CC(=C(C=C1)F)OC KOB0132 [0,2,0,0,0,0|1,0,0]=3 518 B13R1.49 COC(=O)C1=CC=C(C(=C1)CBr)Cl PH014541 [0,2,0,0,0,0|2,0,0]=4 519 B13R1.49 COC(=O)C1=CC=C(C(=C1)CCl)C PH017877 [0,2,0,0,0,0|2,0,0]=4 520 B13R1.49 COC1=C(C=CC(=C1)C(=O)CO)O PH009027 [0,2,0,0,0,0|0,0,0]=2 521 B13R1.49 COC1=C(C=CC(=C1)C(=O)NN)O R258059 [0,2,0,0,0,0|1,0,0]=3 522 B13R1.49 COC1=CC(=CC=C1O)/C(=N\O)/N BOG00046 [0,2,0,0,0,0|1,0,0]=3 523 B13R1.298 COC1=C(C(=CC(=C1)C(=O)C)O)O PH004048 [0,2,0,0,0,0|1,0,0]=3 524 B13R1.298 COC1=CC(=CC(=C1O)Br)C(=O)O L170933 [0,2,0,0,0,0|0,0,0]=2 525 B13R1.298 COC1=CC(=CC(=C1O)O)C(=O)O CDS003720 [0,2,0,0,0,0|0,0,0]=2 526 B13R1.651 COC1=C(C=C(C(=C1)C(=O)C)F)Cl PH017273 [0,2,0,0,0,0|2,0,0]=4 527 B13R1.1807 CCC(=O)C1=C(C=C(C(=C1)Cl)O)O L498912 [0,2,0,0,0,0|2,0,0]=4 528 B13R1.2811 CC(=O)C1=C(C(=C(C(=C1)C)O)C)C R733431 [0,2,0,0,0,0|2,0,0]=4 529 B13R1.2811 CC1=C(C(=C(C(=C1)C(=O)O)C)C)C S35158 [0,2,0,0,0,0|2,0,0]=4 530 B13R1.2811 CC1=C(C(=C(C=C1Br)C(=O)O)C)C L119466 [0,2,0,0,0,0|2,0,0]=4 531 B13R1.2811 NC1=C(C(=C(C(=C1)C(=O)O)O)Cl)O S501166 [0,2,0,0,0,0|1,0,0]=3 532 B13R1.2811 NC1=C(C=C(C(=C1I)O)C(=O)O)I S379689 [0,2,0,0,0,0|2,0,0]=4 533 B13R1.2811 O=C(O)C1=C(C(=C(C(=C1)Cl)F)F)F PH000398 [0,2,0,0,0,0|2,0,0]=4 534 B13R1.2811 O=C(O)C1=C(C(=C(C(=C1)Cl)O)Cl)O TMT00288 [0,2,0,0,0,0|1,0,0]=3 535 B13R1.2811 O=C(O)C1=CC(=C(C(=C1Cl)Cl)Cl)Cl PH010988 [0,2,0,0,0,0|2,0,0]=4 536 B13R1.2811 O=C(O)C1=CC(=C(C(=C1O)Br)O)Br S947776 [0,2,0,0,0,0|1,0,0]=3 537 B13R1.2812 CC1=C(C(=CC(=C1C(=O)O)F)F)F CDS022263 [0,2,0,0,0,0|2,0,0]=4 538 B13R1.2812 CC1=CC(=C(C(=C1C)C)C(=O)O)C S53261 [0,2,0,0,0,0|2,0,0]=4 539 B13R1.2812 CC1=CC(=C(C(=C1O)Br)C(=O)O)C S663069 [0,2,0,0,0,0|1,0,0]=3 540 B13R1.2812 NC1=C(C(=C(C=C1Br)Br)C(=O)O)Br S341274 [0,2,0,0,0,0|2,0,0]=4 541 B13R1.2812 O=C(O)C1=C(C=C(C(=C1I)O)I)I S435457 [0,2,0,0,0,0|1,0,0]=3 542 B13R1.466 CCOC(=O)C1=CC(=C(C=C1)C)N T303518 [0,2,0,0,0,0|2,0,0]=4 543 B13R1.466 CCOC(=O)C1=CC=C(C(=C1)C)C S434248 [0,2,0,0,0,0|2,0,0]=4 544 B13R1.1808 CCC(=O)C1=CC=C(C(=C1O)C)O R156752 [0,2,0,0,0,0|2,0,0]=4 545 B13R1.1808 CCC(=O)C1=CC=C(C(=C1O)C)O S463744 [0,2,0,0,0,0|2,0,0]=4 546 B13R1.1808 COC(=O)C1=CC=C(C(=C1C)C)C S53318 [0,2,0,0,0,0|2,0,0]=4 547 B13R1.2678 COC(=O)C1=CC(=C(C(=C1)Br)N)N ANV00089 [0,2,0,0,0,0|2,0,0]=4 548 B13R1.2678 COC(=O)C1=CC(=C(C(=C1)I)N)I R157279 [0,2,0,0,0,0|2,0,0]=4 549 B13R1.2678 NNC(=O)C1=CC(=C(C(=C1)I)O)I PH004539 [0,2,0,0,0,0|2,0,0]=4 550 B11R1.50 CC1=C(C=C(O1)CO)C(=O)O CDS012935 [0,0,1,1,0,0|0,0,2]=4 551 B11R1.90 CC1=C(SC=C1)/C=C/C(=O)O T326682 [0,0,1,1,0,0|1,1,0]=4 552 B11R1.53 C=CC1=CC=CC=C1C(=O)O CDS020003 [0,0,1,1,0,0|2,0,0]=4 553 B11R1.53 O=C(O)C1=CC=CC=C1CO PH003279 [0,0,1,1,0,0|1,0,1]=4 554 B11R1.81 O/N=C/C1=C(C=C(C=C1)O)O PH010880 [0,0,1,1,0,0|2,0,0]=4 555 B13R2.13083 CC1=C(C=C2OC(=O)NC2=C1)C JRD0588 [0,0,0,1,0,1|2,0,0]=4 556 B13R2.13083 O=C1NC2=C(O1)C=C(C(=C2)Cl)Br PH004305 [0,0,0,1,0,1|2,0,0]=4 557 B13R2.13083 O=C1NC2=CC(=C(C=C2O1)Cl)Cl PH004238 [0,0,0,1,0,1|2,0,0]=4 558 B13R2.430 CC(O)C1=CC=C2OCOC2=C1 CDS012449 [0,1,0,1,0,0|1,0,1]=4 559 B13R2.430 NC(=O)C1=CC2=C(C=C1)OCO2 S242586 [0,1,0,1,0,0|1,0,0]=3 560 B13R2.430 NC(=S)C1=CC2=C(C=C1)OCO2 PH010661 [0,1,0,1,0,0|1,1,0]=4 561 B13R2.430 O=C(Cl)C1=CC=C2OC=CC2=C1 CDS014745 [0,1,0,1,0,0|2,0,0]=4 562 B13R2.430 O=C(O)C1=CC2=C(C=C1)CCC2 T153958 [0,1,0,1,0,0|2,0,0]=4 563 B13R2.430 O=C(O)C1=CC2=C(C=C1)OC=C2 CDS021633 [0,1,0,1,0,0|1,0,0]=3 564 B13R2.430 O=C(O)C1=CC2=C(C=C1)OCC2 CDS015398 [0,1,0,1,0,0|1,0,0]=3 565 B13R2.430 O=C(O)C1=CC=C2N=CNC2=C1 CDS018249 [0,1,0,1,0,0|2,0,0]=4 566 B13R2.430 O=C(O)C1=CC=C2N=NNC2=C1 CDS011338 [0,1,0,1,0,0|2,0,0]=4 567 B13R2.430 O=C(O)C1=CC=C2NCCC2=C1 CDS019637 [0,1,0,1,0,0|2,0,0]=4 568 B13R2.430 O=C(O)C1=CC=C2OC=NC2=C1 CDS010065 [0,1,0,1,0,0|1,0,0]=3 569 B13R2.430 O=C(O)C1=CC=C2SC=NC2=C1 CDS006646 [0,1,0,1,0,0|1,1,0]=4 570 B13R2.430 O=C(O)C1=CN=C2C=COC2=C1 ADE001144 [0,1,0,1,0,0|2,0,0]=4 571 B9R1.35 CC1=CC(=CS1)C(=O)O SYX00379 [1,0,0,0,1,0|2,0,0]=4 572 B9R1.35 NC1=CSC(=C1)C(=O)O CDS010170 [1,0,0,0,1,0|2,0,0]=4 573 B9R1.35 O=C(O)C1=CC=C(O1)Cl CDS012743 [1,0,0,0,1,0|2,0,0]=4 574 B9R1.35 O=C(O)C1=CNC(=N1)O CDS002053 [1,0,0,0,1,0|2,0,0]=4 575 B9R1.35 O=C(O)C1=CSC(=C1)Br CDS013228 [1,0,0,0,1,0|2,0,0]=4 576 B9R1.41 CC1=C(C=CN1)C(=O)O CBR01791 [1,0,0,0,1,0|2,0,0]=4 577 B9R1.41 CC1=C(C=CS1)C(=O)O PH005181 [1,0,0,0,1,0|2,0,0]=4 578 B9R1.41 CC1=C(NC=C1)C(=O)O T325260 [1,0,0,0,1,0|2,0,0]=4 579 B9R1.41 O=C(O)C1=C(C=CN1)Cl T266515 [1,0,0,0,1,0|2,0,0]=4 580 B9R1.41 O=C(O)C1=C(C=CO1)Br CDS020682 [1,0,0,0,1,0|2,0,0]=4 581 B9R1.41 O=C(O)C1=C(OC=C1)Cl PH008831 [1,0,0,0,1,0|2,0,0]=4 582 B11R1.20 C=C(C)CC1=CC=C(C=C1)O PH007153 [1,0,0,0,0,1|2,0,0]=4 583 B11R1.20 CC(=O)CC1=CC=C(C=C1)Cl CDS004628 [1,0,0,0,0,1|2,0,0]=4 584 B11R1.20 CC(=O)CC1=CC=C(C=C1)O PH011294 [1,0,0,0,0,1|1,0,0]=3 585 B11R1.20 CC(=O)NC1=CC=C(C=C1)F S397075 [1,0,0,0,0,1|2,0,0]=4 586 B11R1.20 CC(=O)NC1=CC=C(C=C1)I S872970 [1,0,0,0,0,1|2,0,0]=4 587 B11R1.20 CC(=O)NC1=CC=C(C=C1)[O-] S829218 [1,0,0,0,0,1|1,0,1]=4 588 B11R1.20 CC(=O)SC1=CC=C(C=C1)C S836516 [1,0,0,0,0,1|2,0,0]=4 589 B11R1.20 CC1=CC=C(C=C1)CC(=O)Cl CDS008580 [1,0,0,0,0,1|2,0,0]=4 590 B11R1.20 CC1=CC=C(C=C1)CC(=O)N S536768 [1,0,0,0,0,1|2,0,0]=4 591 B11R1.20 CC1=CC=C(C=C1)NC(=O)N S365149 [1,0,0,0,0,1|2,0,0]=4 592 B11R1.20 CC1=CC=C(C=N1)CC(=O)O CDS019833 [1,0,0,0,0,1|2,0,0]=4 593 B11R1.20 NC(=O)CC1=CC=C(C=C1)Cl CDS011494 [1,0,0,0,0,1|2,0,0]=4 594 B11R1.20 NC(=O)NC1=CC=C(C=C1)Cl S441228 [1,0,0,0,0,1|2,0,0]=4 595 B11R1.20 NC(=O)NC1=CC=C(C=C1)F S601527 [1,0,0,0,0,1|2,0,0]=4 596 B11R1.20 NC1=CC=C(C=C1)CC(=S)O R466522 [1,0,0,0,0,1|1,1,0]=4 597 B11R1.20 O=C(Br)NC1=CC=C(C=C1)Br S280003 [1,0,0,0,0,1|2,0,0]=4 598 B11R1.20 O=C(Cl)SC1=CC=C(C=C1)Cl S592773 [1,0,0,0,0,1|2,0,0]=4 599 B11R1.20 O=C(O)CC1=CC=C(N=C1)Cl CDS003355 [1,0,0,0,0,1|2,0,0]=4 600 B11R1.157 CC(=O)CC1=CC(=CC=C1)C CDS017452 [1,0,0,0,0,1|2,0,0]=4 601 B11R1.157 CC(=O)NC1=CC(=CC=C1)Br R647969 [1,0,0,0,0,1|2,0,0]=4 602 B11R1.157 CC(=O)NC1=CC(=CC=C1)I EME00232 [1,0,0,0,0,1|2,0,0]=4 603 B11R1.157 CC(=O)NC1=CC(=CC=C1)N R464198 [1,0,0,0,0,1|2,0,0]=4 604 B11R1.157 CC1=CC(=CC=C1)NC(=O)N S410233 [1,0,0,0,0,1|2,0,0]=4 605 B11R1.157 NC(=O)NC1=CC(=CC=C1)I PH010485 [1,0,0,0,0,1|2,0,0]=4 606 B11R1.157 NC(=O)NC1=CC=CC(=C1)Cl S576476 [1,0,0,0,0,1|2,0,0]=4 607 B11R1.157 O=C([O-])CC1=CC(=CC=C1)Br S235490 [1,0,0,0,0,1|1,0,1]=4 608 B11R1.157 O=C([O-])C[N+]1=CC=CC(=C1)O PH007028 [1,0,0,0,0,1|1,0,1]=4 609 B13R1.511 CC1=C(C=C(C=C1)CCC(=O)O)Br T303011 [0,0,0,0,0,2|2,0,0]=4 610 B13R1.511 CC1=CC(=CC=C1Cl)OCC(=O)O CDS006826 [0,0,0,0,0,2|2,0,0]=4 611 B13R1.511 O=C(O)/C=C/C1=CC(=C(C=C1)F)Br R436674 [0,0,0,0,0,2|2,0,0]=4 612 B13R1.511 O=C(O)CSC1=CC=C(C(=C1)Cl)Cl R538639 [0,0,0,0,0,2|2,0,0]=4