0 B11R1.19 CC1=CC=C(C=C1)C(C)(C)N PH010321 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)Br PH010299 [0,0,0,0,0,0|1,0,0]=1 2 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O OMC00049 [0,0,0,0,0,0|0,0,0]=0 3 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O OMC00050 [0,0,0,0,0,0|0,0,0]=0 4 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O PH013111 [0,0,0,0,0,0|0,0,0]=0 5 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O PH013337 [0,0,0,0,0,0|0,0,0]=0 6 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O PH013753 [0,0,0,0,0,0|0,0,0]=0 7 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O R162280 [0,0,0,0,0,0|0,0,0]=0 8 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O R466972 [0,0,0,0,0,0|0,0,0]=0 9 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S430110 [0,0,0,0,0,0|0,0,0]=0 10 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S500577 [0,0,0,0,0,0|0,0,0]=0 11 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S500623 [0,0,0,0,0,0|0,0,0]=0 12 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S656747 [0,0,0,0,0,0|0,0,0]=0 13 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S822663 [0,0,0,0,0,0|0,0,0]=0 14 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S862304 [0,0,0,0,0,0|0,0,0]=0 15 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S862495 [0,0,0,0,0,0|0,0,0]=0 16 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S862509 [0,0,0,0,0,0|0,0,0]=0 17 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S862517 [0,0,0,0,0,0|0,0,0]=0 18 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S862541 [0,0,0,0,0,0|0,0,0]=0 19 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S862568 [0,0,0,0,0,0|0,0,0]=0 20 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S896683 [0,0,0,0,0,0|0,0,0]=0 21 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O T181021 [0,0,0,0,0,0|0,0,0]=0 22 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O T181307 [0,0,0,0,0,0|0,0,0]=0 23 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] CDS021472 [0,0,0,0,0,0|0,0,1]=1 24 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] R428396 [0,0,0,0,0,0|0,0,1]=1 25 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] R461695 [0,0,0,0,0,0|0,0,1]=1 26 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] R646989 [0,0,0,0,0,0|0,0,1]=1 27 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] R647012 [0,0,0,0,0,0|0,0,1]=1 28 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] R662836 [0,0,0,0,0,0|0,0,1]=1 29 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] R786624 [0,0,0,0,0,0|0,0,1]=1 30 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] S22714 [0,0,0,0,0,0|0,0,1]=1 31 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] S241970 [0,0,0,0,0,0|0,0,1]=1 32 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] S244112 [0,0,0,0,0,0|0,0,1]=1 33 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] S283258 [0,0,0,0,0,0|0,0,1]=1 34 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] S283304 [0,0,0,0,0,0|0,0,1]=1 35 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] S292257 [0,0,0,0,0,0|0,0,1]=1 36 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] S312258 [0,0,0,0,0,0|0,0,1]=1 37 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] S384585 [0,0,0,0,0,0|0,0,1]=1 38 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] S47512 [0,0,0,0,0,0|0,0,1]=1 39 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] S487325 [0,0,0,0,0,0|0,0,1]=1 40 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] S638765 [0,0,0,0,0,0|0,0,1]=1 41 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] S638862 [0,0,0,0,0,0|0,0,1]=1 42 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] S64670 [0,0,0,0,0,0|0,0,1]=1 43 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] S922897 [0,0,0,0,0,0|0,0,1]=1 44 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] T306266 [0,0,0,0,0,0|0,0,1]=1 45 B11R1.19 CC1=CC=C(C=C1)[Te](C)(Br)Br S200956 [0,0,0,0,0,0|3,1,0]=4 46 B11R1.19 CC1=CC=C(C=C1)[Te](C)(C)I S200972 [0,0,0,0,0,0|3,1,0]=4 47 B11R1.19 CC1=CC=C(C=C1)[Te](C)(Cl)Cl S200948 [0,0,0,0,0,0|3,1,0]=4 48 B11R1.19 CC1=CC=C(C=N1)S(=O)(=O)O PH015233 [0,0,0,0,0,0|1,0,0]=1 49 B11R1.19 CS(=O)(=O)C1=CC=C(C=C1)N CDS012661 [0,0,0,0,0,0|2,0,0]=2 50 B11R1.19 CS(=O)(=O)C1=CN=C(C=C1)Br MNO000087 [0,0,0,0,0,0|3,0,0]=3 51 B11R1.19 CS(=O)(=O)C1=NC=C(C=N1)O S217050 [0,0,0,0,0,0|4,0,0]=4 52 B11R1.19 CS(=O)(=O)C1=NN=C(C=C1)Cl L163767 [0,0,0,0,0,0|4,0,0]=4 53 B11R1.19 NC1=CC=C(C=C1)S(=O)(=O)[S-] S47717 [0,0,0,0,0,0|1,1,0]=2 54 B11R1.19 NC1=CC=C(C=C1)S(=O)(=O)[S-] S47814 [0,0,0,0,0,0|1,1,0]=2 55 B11R1.19 NC1=CC=C(C=N1)S(=O)(=O)N CDS012618 [0,0,0,0,0,0|3,0,0]=3 56 B11R1.19 NS(=O)(=O)C1=CC=C(C=C1)O PH006892 [0,0,0,0,0,0|2,0,0]=2 57 B11R1.19 O=P(O)(O)C1=CC=C(C=C1)Br S915874 [0,0,0,0,0,0|2,0,1]=3 58 B11R1.19 O=P(O)(O)C1=CC=C(C=C1)Cl S859192 [0,0,0,0,0,0|2,0,1]=3 59 B11R1.19 O=S(=O)(Cl)C1=CC=C(C=N1)Br CDS007680 [0,0,0,0,0,0|3,0,0]=3 60 B11R1.19 O=S(=O)(Cl)C1=CN=C(C=C1)Cl CDS010949 [0,0,0,0,0,0|3,0,0]=3 61 B11R1.19 O=S(=O)(Cl)C1=CN=C(N=C1)Cl CDS009844 [0,0,0,0,0,0|4,0,0]=4 62 B11R1.19 O=S(=O)(O)C1=CN=C(N=C1)O PH017904 [0,0,0,0,0,0|3,0,0]=3 63 B11R1.19 O=S(=O)([O-])C1=CC=C(C=C1)Br S714526 [0,0,0,0,0,0|1,0,1]=2 64 B11R1.19 O=S(=O)([O-])C1=CC=C(C=C1)Cl S415510 [0,0,0,0,0,0|1,0,1]=2 65 B11R1.19 O=S(=O)([O-])C1=CC=C(C=C1)O S573213 [0,0,0,0,0,0|1,0,1]=2 66 B11R1.19 O=S(=O)([S-])C1=CC=C(C=C1)Cl S47725 [0,0,0,0,0,0|1,1,0]=2 67 B10R1.13 CC(=O)C1=CC=C(C=N1)C CBR02273 [1,0,0,0,0,0|3,0,0]=4 68 B10R1.13 CC(=O)C1=CC=[N+](C=C1)C R228613 [1,0,0,0,0,0|3,0,0]=4 69 B10R1.13 CC1=CC=C(C=C1)C(=N)N CDS004524 [1,0,0,0,0,0|3,0,0]=4 70 B10R1.13 CC1=CC=C(C=C1)S(=O)O T212016 [1,0,0,0,0,0|0,0,1]=2 71 B10R1.13 CC1=CC=C(C=N1)B(O)O CDS020001 [1,0,0,0,0,0|2,0,1]=4 72 B10R1.13 CC1=CC=C(C=N1)[N+](=O)[O-] PH010163 [1,0,0,0,0,0|2,0,1]=4 73 B10R1.13 CC1=CC=C(N=C1)C(=O)O CDS015362 [1,0,0,0,0,0|2,0,0]=3 74 B10R1.13 CC1=CC=C(N=N1)C(=O)O CDS023095 [1,0,0,0,0,0|3,0,0]=4 75 B10R1.13 CC1=NC=C(C=N1)C(=O)O CBR01580 [1,0,0,0,0,0|3,0,0]=4 76 B10R1.13 CC1C=CC(C=C1)C(=O)O T167762 [1,0,0,0,0,0|1,0,2]=4 77 B10R1.13 C[N+]1=CC=C(C=C1)C(=O)O S407054 [1,0,0,0,0,0|2,0,0]=3 78 B10R1.13 NC1=CC=C(C=C1)C(=O)O S820083 [1,0,0,0,0,0|2,0,0]=3 79 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] S571024 [1,0,0,0,0,0|2,0,1]=4 80 B10R1.13 O=C(O)C1=CC=C(C=N1)Cl CDS003151 [1,0,0,0,0,0|3,0,0]=4 81 B10R1.13 O=C(O)C1=CC=C(C=N1)O CDS004398 [1,0,0,0,0,0|3,0,0]=4 82 B10R1.13 O=C([O-])C1=CC=C(C=C1)I S840890 [1,0,0,0,0,0|2,0,1]=4 83 B10R1.13 O=S([O-])C1=CC=C(C=C1)Cl S614394 [1,0,0,0,0,0|1,0,2]=4 84 B10R1.13 O=[N+]([O-])C1=CC=C(C=C1)[O-] S592323 [1,0,0,0,0,0|2,0,1]=4 85 B10R1.28 O=P([O-])([O-])C1=CC=CC=C1 S828351 [1,0,0,0,0,0|1,0,2]=4 86 B10R1.28 O=S(=O)(Cl)C1=CN=CC=C1 CDS013908 [1,0,0,0,0,0|2,0,0]=3 87 B10R1.28 O=S(=O)([O-])C1=CC=CC=C1 S828335 [1,0,0,0,0,0|0,0,1]=2 88 B10R1.28 O=S(=O)([O-])C1=CN=CC=C1 S370525 [1,0,0,0,0,0|1,0,1]=3 89 B10R1.28 O=S(=O)([O-])C1=NC=CC=N1 S908223 [1,0,0,0,0,0|2,0,1]=4 90 B12R1.6 C(=O)C1=CC=C(C=C1)S(=O)(=O)Cl CDS021761 [0,1,0,0,0,0|1,0,1]=3 91 B12R1.6 CCC1=CC=C(C=C1)P(=O)(O)O S915955 [0,1,0,0,0,0|1,0,1]=3 92 B12R1.6 CCC1=CC=C(C=C1)S(=O)(=O)Cl R436526 [0,1,0,0,0,0|1,0,0]=2 93 B12R1.6 CNC1=CC=C(C=C1)S(=O)(=O)O R435244 [0,1,0,0,0,0|0,0,0]=1 94 B12R1.6 COC1=CC=C(C=C1)P(=O)(O)O S545821 [0,1,0,0,0,0|1,0,1]=3 95 B12R1.6 COC1=CC=C(C=C1)S(=O)(=O)C S454737 [0,1,0,0,0,0|1,0,0]=2 96 B12R1.6 COC1=CC=C(C=C1)S(=O)(=O)[S-] S47830 [0,1,0,0,0,0|0,1,0]=2 97 B12R1.6 COC1=CC=C(C=N1)S(=O)(=O)Cl CDS009830 [0,1,0,0,0,0|2,0,0]=3 98 B12R1.6 COC1=CN=C(N=C1)S(=O)(=O)C S187984 [0,1,0,0,0,0|3,0,0]=4 99 B12R1.6 CS(=O)(=O)C1=CC=C(C=C1)C#N CDS003144 [0,1,0,0,0,0|1,0,1]=3 100 B12R1.6 CS(=O)(=O)C1=CC=C(C=C1)C=O CDS003885 [0,1,0,0,0,0|1,0,1]=3 101 B12R1.6 CS(=O)(=O)C1=CC=C(C=C1)CBr VBP00037 [0,1,0,0,0,0|1,0,0]=2 102 B12R1.6 CS(=O)(=O)C1=CC=C(C=C1)CN CDS004083 [0,1,0,0,0,0|1,0,0]=2 103 B12R1.6 CS(=O)(=O)C1=CC=C(C=C1)NN PH010667 [0,1,0,0,0,0|2,0,0]=3 104 B12R1.6 CSC1=CC=C(C=C1)S(=O)(=O)Cl CDS006998 [0,1,0,0,0,0|1,0,0]=2 105 B12R1.6 N#CC1=CC=C(C=C1)S(=O)(=O)N CDS015009 [0,1,0,0,0,0|1,0,1]=3 106 B12R1.6 N#CC1=CC=C(C=C1)S(=O)(=O)O S128147 [0,1,0,0,0,0|0,0,1]=2 107 B12R1.6 N#CC1=CC=C(C=N1)S(=O)(=O)Cl CDS021225 [0,1,0,0,0,0|2,0,1]=4 108 B12R1.6 NNC1=CC=C(C=C1)S(=O)(=O)N CDS003887 [0,1,0,0,0,0|2,0,0]=3 109 B12R1.9 C=CS(=O)(=O)C1=CC=C(C=C1)C S778230 [0,1,0,0,0,0|1,0,0]=2 110 B12R1.9 CC1=CC=C(C=C1)S(=O)(=O)CBr S799475 [0,1,0,0,0,0|1,0,0]=2 111 B12R1.9 CC1=CC=C(C=C1)S(=O)(=O)CO PH009052 [0,1,0,0,0,0|0,0,0]=1 112 B12R1.9 CC1=CC=C(C=C1)S(=O)(=O)O[TlH2] S826154 [0,1,0,0,0,0|0,0,0]=1 113 B12R1.9 CCS(=O)(=O)C1=CC=C(C=C1)Cl TMT00215 [0,1,0,0,0,0|2,0,0]=3 114 B12R1.9 CCS(=O)(=O)C1=CC=C(C=C1)F PH003114 [0,1,0,0,0,0|2,0,0]=3 115 B12R1.9 CSS(=O)(=O)C1=CC=C(C=C1)C S765090 [0,1,0,0,0,0|0,1,0]=2 116 B12R1.9 NC1=CC=C(C=C1)S(=O)(=O)CCl T163201 [0,1,0,0,0,0|2,0,0]=3 117 B12R1.9 NC1=CC=C(C=C1)S(=O)(=O)O[TlH2] S826138 [0,1,0,0,0,0|1,0,0]=2 118 B12R1.9 NNS(=O)(=O)C1=CC=C(C=C1)Br S953105 [0,1,0,0,0,0|2,0,0]=3 119 B12R1.9 NNS(=O)(=O)C1=CC=C(C=C1)Cl S841382 [0,1,0,0,0,0|2,0,0]=3 120 B12R1.9 NNS(=O)(=O)C1=CC=C(C=C1)I S944998 [0,1,0,0,0,0|2,0,0]=3 121 B12R1.23 CC1=CC(=CC=C1Cl)S(=O)(=O)Cl CDS014633 [0,1,0,0,0,0|2,0,0]=3 122 B12R1.23 CC1=CC(=CC=C1N)S(=O)(=O)O T332895 [0,1,0,0,0,0|1,0,0]=2 123 B12R1.23 CC1=CC=C(C=C1C)S(=O)(=O)Cl CDS000977 [0,1,0,0,0,0|1,0,0]=2 124 B12R1.23 CC1=CC=C(C=C1Cl)S(=O)(=O)N S373265 [0,1,0,0,0,0|1,0,0]=2 125 B12R1.23 CC1=CC=C(C=C1N)S(=O)(=O)F S671924 [0,1,0,0,0,0|1,0,0]=2 126 B12R1.23 CC1=CC=C(C=C1N)S(=O)(=O)N PH010326 [0,1,0,0,0,0|1,0,0]=2 127 B12R1.23 CC1=CC=C(C=C1N)S(=O)(=O)O S518506 [0,1,0,0,0,0|0,0,0]=1 128 B12R1.23 CS(=O)(=O)C1=CC(=C(C=C1)F)F MNO000024 [0,1,0,0,0,0|2,0,0]=3 129 B12R1.23 CS(=O)(=O)C1=CC=C(C(=C1)Cl)Cl S628573 [0,1,0,0,0,0|2,0,0]=3 130 B12R1.23 CS(=O)(=O)C1=CC=C(C(=C1)Cl)N S448281 [0,1,0,0,0,0|2,0,0]=3 131 B12R1.23 NC1=CC(=CC=C1Cl)S(=O)(=O)N CBR00199 [0,1,0,0,0,0|2,0,0]=3 132 B12R1.23 NC1=CC(=CC=C1O)S(=O)(=O)N S448028 [0,1,0,0,0,0|2,0,0]=3 133 B12R1.23 NC1=CC=C(C=C1Cl)S(=O)(=O)N CDS007881 [0,1,0,0,0,0|2,0,0]=3 134 B12R1.23 NC1=CC=C(C=C1Cl)S(=O)(=O)O S438774 [0,1,0,0,0,0|1,0,0]=2 135 B12R1.23 NS(=O)(=O)C1=CC(=C(C=C1)Cl)Cl PH010361 [0,1,0,0,0,0|2,0,0]=3 136 B12R1.23 O=S(=O)(Cl)C1=CC(=C(C=C1)Br)Br CDS025263 [0,1,0,0,0,0|2,0,0]=3 137 B12R1.23 O=S(=O)(Cl)C1=CC(=C(C=C1)Br)Cl CDS016226 [0,1,0,0,0,0|2,0,0]=3 138 B12R1.23 O=S(=O)(Cl)C1=CN=C(C(=C1)Br)Cl CDS000859 [0,1,0,0,0,0|3,0,0]=4 139 B12R1.23 O=S(=O)(O)C1=CC=C(C(=C1)F)F PH014373 [0,1,0,0,0,0|1,0,0]=2 140 B12R1.23 O=S(=O)(O)C1=CC=C(C(=C1)F)F PH018106 [0,1,0,0,0,0|1,0,0]=2 141 B12R1.23 O=S(=O)(O)C1=CC=C(C(=C1)O)O PH006902 [0,1,0,0,0,0|1,0,0]=2 142 B12R1.126 CC1=CC(=C(C=C1)S(=O)(=O)N)C PH000222 [0,1,0,0,0,0|1,0,0]=2 143 B12R1.126 CC1=CC=C(C(=C1)C)P(=O)(O)O S915718 [0,1,0,0,0,0|1,0,1]=3 144 B12R1.126 CC1=NC(=C(C=N1)S(=O)(=O)C)O S378585 [0,1,0,0,0,0|3,0,0]=4 145 B12R1.126 NC1=CC(=C(C=C1)S(=O)(=O)O)N R397156 [0,1,0,0,0,0|1,0,0]=2 146 B12R1.126 O=S(=O)(O)C1=C(C=C(C=C1)Cl)Cl PH014379 [0,1,0,0,0,0|1,0,0]=2 147 B12R1.126 O=S(=O)(O)C1=C(C=C(C=C1)F)F PH015778 [0,1,0,0,0,0|1,0,0]=2 148 B12R1.126 O=S(=O)(O)C1=CC=C(C=C1F)F PH018105 [0,1,0,0,0,0|1,0,0]=2 149 B10R1.55 CC1=CC=C(S1)S(=O)(=O)Cl CDS009500 [0,0,0,0,1,0|2,0,0]=3 150 B10R1.55 CN1C=C(C=N1)S(=O)(=O)Cl CDS020165 [0,0,0,0,1,0|3,0,0]=4 151 B10R1.55 CN1C=NC(=C1)S(=O)(=O)Cl CDS014192 [0,0,0,0,1,0|3,0,0]=4 152 B12R1.106 CC1=CC=C(C=C1)NS(=O)(=O)C T100080 [0,0,0,0,0,1|1,0,0]=2 153 B12R1.106 CC1=CC=C(C=C1)OS(=O)(=O)N PH008060 [0,0,0,0,0,1|1,0,0]=2 154 B12R1.106 CS(=O)(=O)CC1=CC=C(C=C1)Cl PH009147 [0,0,0,0,0,1|2,0,0]=3 155 B12R1.106 CS(=O)(=O)NC1=CC=C(C=C1)Cl T100153 [0,0,0,0,0,1|2,0,0]=3 156 B12R1.106 C[N+]1=CC=C(C=C1)CS(=O)(=O)C S735159 [0,0,0,0,0,1|2,0,0]=3 157 B12R1.106 NS(=O)(=O)OC1=CC=C(C=C1)Cl PH008055 [0,0,0,0,0,1|2,0,0]=3 158 B12R1.106 O=P(O)(O)CC1=CC=C(C=C1)I PH006094 [0,0,0,0,0,1|2,0,1]=4 159 B12R1.106 O=S(=O)(Cl)CC1=CC=C(C=C1)Br CDS006543 [0,0,0,0,0,1|2,0,0]=3 160 B9R1.1 CC1=CC=C(C=C1)CS S369497 [2,0,0,0,0,0|1,1,0]=4 161 B9R1.1 CC1=CC=C(C=C1)S[TlH2] S828378 [2,0,0,0,0,0|1,0,1]=4 162 B9R1.1 CC1=CC=C(C=C1)[Hg]Cl S706736 [2,0,0,0,0,0|2,0,0]=4 163 B9R1.1 CC1=CC=C(N=C1)C=O SYX00325 [2,0,0,0,0,0|2,0,0]=4 164 B9R1.6 O=C(O)C1=CC=CC=N1 S172049 [2,0,0,0,0,0|2,0,0]=4 165 B9R1.6 O=C(O)C1=CC=CC=N1 S488666 [2,0,0,0,0,0|2,0,0]=4 166 B9R1.6 O=C([O-])C1=CC=CC=C1 S518174 [2,0,0,0,0,0|1,0,1]=4 167 B9R1.6 O=S(O)C1=CC=CC=C1 S812617 [2,0,0,0,0,0|0,0,1]=3 168 B11R1.3 CCC1=CC=C(C=C1)C(=O)N TMT00666 [1,1,0,0,0,0|2,0,0]=4 169 B11R1.3 CCC1=CC=C(C=C1)[N+](=O)[O-] R750689 [1,1,0,0,0,0|1,0,1]=4 170 B11R1.3 COC1=CC=C(C=C1)[Te](=O)Cl S50289 [1,1,0,0,0,0|1,1,0]=4 171 B11R1.3 COC1=NC=C(C=C1)C(=O)O CDS003134 [1,1,0,0,0,0|2,0,0]=4 172 B11R1.3 NC(=O)C1=CC=C(C=C1)CBr CDS007483 [1,1,0,0,0,0|2,0,0]=4 173 B11R1.3 NCC1=CC=C(C=C1)B(O)O CDS004781 [1,1,0,0,0,0|1,0,1]=4 174 B11R1.3 O=C(Cl)C1=CC=C(C=C1)CBr S283436 [1,1,0,0,0,0|2,0,0]=4 175 B11R1.3 O=C(O)C1=CC=C(N=C1)CBr CDS023271 [1,1,0,0,0,0|2,0,0]=4 176 B11R1.3 O=[N+]([O-])C1=CC=C(C=C1)CI S534765 [1,1,0,0,0,0|1,0,1]=4 177 B11R1.21 CC(=O)C1=CC(=C(C=C1)C)N CBR02053 [1,1,0,0,0,0|2,0,0]=4 178 B11R1.21 CC1=C(C=C(C=C1)B(O)O)N CDS003846 [1,1,0,0,0,0|1,0,1]=4 179 B11R1.21 CC1=C(C=C(C=C1)B(O)O)N CDS004788 [1,1,0,0,0,0|1,0,1]=4 180 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)Cl R436089 [1,1,0,0,0,0|2,0,0]=4 181 B11R1.21 CC1=CC(=CC=C1I)C(=O)O PH011378 [1,1,0,0,0,0|2,0,0]=4 182 B11R1.21 CC1=CC=C(C=C1C)B(O)O CDS013650 [1,1,0,0,0,0|1,0,1]=4 183 B11R1.21 CC1=CC=C(C=C1Cl)C(=O)N S716782 [1,1,0,0,0,0|2,0,0]=4 184 B11R1.21 CC1=CC=C(C=C1I)[N+](=O)[O-] S432938 [1,1,0,0,0,0|1,0,1]=4 185 B11R1.21 CN1C=CC(=CC1=O)C(=O)O CBR00106 [1,1,0,0,0,0|2,0,0]=4 186 B11R1.21 O=C(O)C1=CC=C(C(=C1)O)Cl CDS020712 [1,1,0,0,0,0|2,0,0]=4 187 B11R1.22 CC1=CC=C(C=C1)/C(=N\O)/C S682802 [1,1,0,0,0,0|2,0,0]=4 188 B11R1.22 CC1=CC=C(C=C1)C(=O)C#N S34623 [1,1,0,0,0,0|2,0,0]=4 189 B11R1.22 CC1=CC=C(C=C1)S(=O)NN R279870 [1,1,0,0,0,0|1,0,1]=4 190 B11R1.22 CNC(=O)C1=CC=C(C=C1)C R580023 [1,1,0,0,0,0|2,0,0]=4 191 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)F CDS003230 [1,1,0,0,0,0|1,0,0]=3 192 B11R1.166 CC1=CC(=C(C=N1)C(=O)O)C CDS011445 [1,1,0,0,0,0|2,0,0]=4 193 B11R1.166 CC1=CC(=C(C=N1)C(=O)O)O PH011699 [1,1,0,0,0,0|2,0,0]=4 194 B11R1.166 CC1=CC=C(C(=C1)O)C(=O)N CDS013983 [1,1,0,0,0,0|2,0,0]=4 195 B11R1.166 CC1=CC=C(C(=N1)C)C(=O)O CDS013247 [1,1,0,0,0,0|2,0,0]=4 196 B11R1.166 NC1=CC(=C(C=C1)C(=O)O)N CDS000040 [1,1,0,0,0,0|2,0,0]=4 197 B11R1.166 O=C(O)C1=C(C=C(C=C1)O)Cl TMT00164 [1,1,0,0,0,0|2,0,0]=4 198 B11R1.166 O=C(O)C1=CC=C(C=C1F)O CDS002815 [1,1,0,0,0,0|2,0,0]=4 199 B11R1.166 O=C(O)C1=CC=C(C=C1O)S PH007026 [1,1,0,0,0,0|2,0,0]=4 200 B11R1.7 CNS(=O)(=O)C1=CC=CC=C1 PH010973 [1,1,0,0,0,0|1,0,0]=3 201 B11R1.7 COS(=O)(=O)C1=CC=CC=C1 S544795 [1,1,0,0,0,0|0,0,0]=2 202 B11R1.7 O=S(=O)(N[Na])C1=CC=CC=C1 T283754 [1,1,0,0,0,0|1,0,0]=3 203 B11R1.87 CC1=C(C=CC=C1)S(=O)(=O)C PH003545 [1,1,0,0,0,0|1,0,0]=3 204 B11R1.87 CC1=CC=CC=C1S(=O)(=O)[O-] T330620 [1,1,0,0,0,0|0,0,1]=3 205 B11R1.87 CC1=CN=CC=C1S(=O)(=O)O PH015097 [1,1,0,0,0,0|1,0,0]=3 206 B11R1.87 CS(=O)(=O)C1=C(C=CC=C1)N CDS004952 [1,1,0,0,0,0|1,0,0]=3 207 B11R1.87 CS(=O)(=O)C1=CC=CC=C1O CDS005712 [1,1,0,0,0,0|1,0,0]=3 208 B11R1.87 C[N+]1=C(C=CC=C1)S(=O)(=O)[O-] L202592 [1,1,0,0,0,0|1,0,1]=4 209 B11R1.87 O=S(=O)(Cl)C1=CC=CN=C1Cl CDS014057 [1,1,0,0,0,0|2,0,0]=4 210 B11R1.87 O=S(=O)(O)C1=C(C=CC=C1)O CDS013549 [1,1,0,0,0,0|0,0,0]=2 211 B11R1.87 O=S(=O)([O-])C1=CC=CC=C1O T330655 [1,1,0,0,0,0|0,0,1]=3 212 B11R1.155 CC1=CC(=CC=C1)P(=O)(O)O S915750 [1,1,0,0,0,0|1,0,1]=4 213 B11R1.155 CC1=CC(=NC=C1)S(=O)(=O)O PH015082 [1,1,0,0,0,0|1,0,0]=3 214 B11R1.155 CC1=CC=CC(=C1)S(=O)(=O)N CDS012908 [1,1,0,0,0,0|1,0,0]=3 215 B11R1.155 CC1=NC=CC(=C1)S(=O)(=O)O PH015380 [1,1,0,0,0,0|1,0,0]=3 216 B11R1.155 CS(=O)(=O)C1=CC(=CC=C1)Br PH011722 [1,1,0,0,0,0|1,0,0]=3 217 B11R1.155 C[N+]1=CC=CC(=C1)S(=O)(=O)[O-] S441112 [1,1,0,0,0,0|1,0,1]=4 218 B11R1.155 NC1=CC(=CC=C1)S(=O)(=O)[O-] S436879 [1,1,0,0,0,0|0,0,1]=3 219 B11R1.155 NC1=CC=CC(=C1)S(=O)(=O)F CDS003405 [1,1,0,0,0,0|1,0,0]=3 220 B11R1.155 NS(=O)(=O)C1=CC(=CC=C1)Cl R436062 [1,1,0,0,0,0|1,0,0]=3 221 B11R1.155 NS(=O)(=O)C1=CC(=CN=C1)Br CDS022662 [1,1,0,0,0,0|2,0,0]=4 222 B11R1.155 O=S(=O)(Cl)C1=CN=CC(=C1)Br CDS016144 [1,1,0,0,0,0|2,0,0]=4 223 B11R1.155 O=S(=O)([S-])C1=CC(=CC=C1)Cl S64018 [1,1,0,0,0,0|0,1,0]=3 224 B11R1.45 NCC1=CC=C(S1)S(=O)(=O)N CDS012187 [0,1,0,0,1,0|2,0,0]=4 225 B11R1.646 CC1=CC(=C(S1)C)S(=O)(=O)[O-] S798843 [0,1,0,0,1,0|1,0,1]=4 226 B13R1.4 COC1=CC=C(C=C1)CP(=O)(O)O PH002859 [0,1,0,0,0,1|1,0,1]=4 227 B13R1.4 CS(=O)(=O)NC1=CC=C(C=C1)C#N PH011055 [0,1,0,0,0,1|1,0,1]=4 228 B13R1.4 N#CC1=CC=C(C=C1)CS(=O)(=O)Cl CDS011781 [0,1,0,0,0,1|1,0,1]=4 229 B13R1.4 N#CC1=CC=C(C=C1)OS(=O)(=O)N PH008061 [0,1,0,0,0,1|1,0,1]=4 230 B13R1.249 CNS(=O)(=O)OC1=CC=C(C=C1)Cl PH008057 [0,1,0,0,0,1|2,0,0]=4 231 B13R1.249 O=S(=O)(CCl)CC1=CC=C(C=C1)Cl T164216 [0,1,0,0,0,1|2,0,0]=4 232 B13R1.249 O=S(=O)(CCl)CC1=CC=C(C=C1)F T164194 [0,1,0,0,0,1|2,0,0]=4 233 B13R1.518 CC1=C(C=C(C=C1)NS(=O)(=O)C)C T100102 [0,1,0,0,0,1|1,0,0]=3 234 B13R1.518 CC1=CC=C(C=C1Cl)NS(=O)(=O)C PH005178 [0,1,0,0,0,1|1,0,0]=3 235 B13R1.883 CC1=CC(=C(C=C1)NS(=O)(=O)C)C S514004 [0,1,0,0,0,1|1,0,0]=3 236 B13R1.883 CC1=CC(=C(C=C1)NS(=O)(=O)C)Cl T100005 [0,1,0,0,0,1|1,0,0]=3 237 B13R1.883 CC1=NC(=C(C=N1)CS(=O)(=O)O)N PH008258 [0,1,0,0,0,1|2,0,0]=4 238 B13R1.883 CS(=O)(=O)NC1=C(C=C(C=C1)Cl)Cl T100188 [0,1,0,0,0,1|2,0,0]=4 239 B13R1.883 O=S(=O)(Cl)CC1=C(C=C(C=C1)F)F CBR01582 [0,1,0,0,0,1|2,0,0]=4 240 B13R1.883 O=S(=O)(Cl)CC1=CC=C(C=C1F)Cl CBR02115 [0,1,0,0,0,1|2,0,0]=4 241 B13R1.38 COC1=C(C=C(C=C1)S(=O)(=O)Cl)Cl CDS002526 [0,2,0,0,0,0|1,0,0]=3 242 B13R1.38 COC1=CC=C(C=C1C)S(=O)(=O)Cl CDS006831 [0,2,0,0,0,0|1,0,0]=3 243 B13R1.38 CS(=O)(=O)C1=CC=C(C(=C1)Cl)NN S393088 [0,2,0,0,0,0|2,0,0]=4 244 B13R1.38 NNC1=CC=C(C=C1Cl)S(=O)(=O)O S359653 [0,2,0,0,0,0|1,0,0]=3 245 B13R1.38 NNC1=CC=C(C=C1F)S(=O)(=O)N PH019136 [0,2,0,0,0,0|2,0,0]=4 246 B13R1.96 CS(=O)(=O)C1=CC=C(C=C1F)C=O CDS023619 [0,2,0,0,0,0|1,0,1]=4 247 B13R1.140 CCCC1=CC=C(C=C1)S(=O)(=O)O PH015874 [0,2,0,0,0,0|0,0,0]=2 248 B13R1.140 CCOC1=CC=C(C=C1)P(=O)(O)O S558303 [0,2,0,0,0,0|1,0,1]=4 249 B13R1.140 CCOC1=CC=C(C=C1)S(=O)(=O)Cl OTV000319 [0,2,0,0,0,0|1,0,0]=3 250 B13R1.140 CS(=O)(=O)C1=CC=C(C=C1)CCN CDS013981 [0,2,0,0,0,0|1,0,0]=3 251 B13R1.187 CNS(=O)(=O)C1=CC=C(C=C1)OC PH005144 [0,2,0,0,0,0|1,0,0]=3 252 B13R1.187 COC1=CC=C(C=C1)S(=O)(=O)NN S172073 [0,2,0,0,0,0|1,0,0]=3 253 B13R1.338 CC(=O)C1=CC=C(C=C1)S(=O)(=O)O PH008123 [0,2,0,0,0,0|0,0,0]=2 254 B13R1.338 CC(Br)C1=CC=C(C=C1)S(=O)(=O)F S592757 [0,2,0,0,0,0|1,0,0]=3 255 B13R1.338 CC(C)C1=CC=C(C=C1)S(=O)(=O)N T315052 [0,2,0,0,0,0|1,0,0]=3 256 B13R1.338 CC(N)C1=CC=C(C=C1)S(=O)(=O)C CDS015287 [0,2,0,0,0,0|1,0,0]=3 257 B13R1.338 CS(=O)(=O)C1=CC=C(C=C1)C(=O)N EME00434 [0,2,0,0,0,0|1,0,1]=4 258 B13R1.338 NS(=O)(=O)C1=CC=C(C=C1)C(=O)Cl PH016778 [0,2,0,0,0,0|1,0,1]=4 259 B13R1.338 O=S(=O)(O)C1=CC=C(C=C1)B(O)O CDS022882 [0,2,0,0,0,0|1,0,0]=3 260 B13R1.338 O=[N+]([O-])C1=CC=C(C=C1)S(=O)(=O)[O-] S714534 [0,2,0,0,0,0|1,0,1]=4 261 B13R1.338 O=[N+]([O-])C1=CC=C(C=C1)S(=O)(=O)[O-] S864307 [0,2,0,0,0,0|1,0,1]=4 262 B13R1.29 C=CCS(=O)(=O)C1=CC=C(C=C1)C S863211 [0,2,0,0,0,0|1,0,0]=3 263 B13R1.29 CC1=CC=C(C=C1)S(=O)(=O)N=C=S PH009617 [0,2,0,0,0,0|0,1,0]=3 264 B13R1.29 N#CCS(=O)(=O)C1=CC=C(C=C1)Br CDS013669 [0,2,0,0,0,0|2,0,0]=4 265 B13R1.29 O=S(=O)(CCCl)C1=CC=C(C=C1)Cl S614440 [0,2,0,0,0,0|2,0,0]=4 266 B13R1.272 CNS(=O)(=O)C1=CC=C(C(=C1)Cl)Cl PH010179 [0,2,0,0,0,0|2,0,0]=4 267 B13R1.272 CNS(=O)(=O)C1=CC=C(C(=C1)O)N PH012784 [0,2,0,0,0,0|2,0,0]=4 268 B13R1.522 CC1=CC=C(C=C1)S(=O)(=O)C(C)C S799254 [0,2,0,0,0,0|1,0,0]=3 269 B13R1.522 CC1=CC=C(C=C1)S(=O)(=O)N(C)C PH009895 [0,2,0,0,0,0|1,0,0]=3 270 B13R1.522 CC1=CC=C(C=C1)S(=O)(=O)N([Na])Cl S470155 [0,2,0,0,0,0|1,0,0]=3 271 B13R1.522 CN(C)S(=O)(=O)C1=CC=C(C=C1)N CDS014211 [0,2,0,0,0,0|2,0,0]=4 272 B13R1.522 O=S(=O)(C1=CC=C(C=C1)Cl)C(F)F S388874 [0,2,0,0,0,0|2,0,0]=4 273 B13R1.50 CNC1=CC(=CC=C1C)S(=O)(=O)O S432970 [0,2,0,0,0,0|0,0,0]=2 274 B13R1.50 N#CC1=CC(=CC=C1F)S(=O)(=O)N CDS002830 [0,2,0,0,0,0|2,0,0]=4 275 B13R1.877 CC1=C(C=C(C(=C1)N)S(=O)(=O)O)Cl S429473 [0,2,0,0,0,0|0,0,0]=2 276 B13R1.877 CC1=CC(=C(C=C1Cl)N)S(=O)(=O)O S432032 [0,2,0,0,0,0|1,0,0]=3 277 B13R1.877 CC1=CC(=C(C=C1N)S(=O)(=O)O)C S357901 [0,2,0,0,0,0|0,0,0]=2 278 B13R1.877 CC1=CC(=C(C=C1S(=O)(=O)O)C)C S370487 [0,2,0,0,0,0|0,0,0]=2 279 B13R1.877 NC1=C(C=C(C(=C1)Cl)S(=O)(=O)O)Cl S387444 [0,2,0,0,0,0|1,0,0]=3 280 B13R1.877 O=S(=O)(Cl)C1=C(C=C(C(=C1)Cl)F)F CDS011712 [0,2,0,0,0,0|2,0,0]=4 281 B13R1.877 O=S(=O)(Cl)C1=CC(=C(C=C1F)F)F CDS000905 [0,2,0,0,0,0|2,0,0]=4 282 B13R1.877 O=S(=O)([O-])C1=CC(=C(C=C1Cl)Cl)Cl S527580 [0,2,0,0,0,0|1,0,1]=4 283 B13R1.877 O=S(=O)([O-])C1=CC(=C(C=C1Cl)Cl)Cl S764892 [0,2,0,0,0,0|1,0,1]=4 284 B13R1.7922 CC1=C(C(=CC(=C1)S(=O)(=O)O)Cl)N S359572 [0,2,0,0,0,0|1,0,0]=3 285 B13R1.7922 CC1=C(C=C(C=C1Cl)S(=O)(=O)[O-])Cl S605417 [0,2,0,0,0,0|0,0,1]=3 286 B13R1.7922 NC1=C(C=C(C=C1Br)S(=O)(=O)N)Br S659525 [0,2,0,0,0,0|2,0,0]=4 287 B13R1.7922 NC1=C(C=C(C=C1Br)S(=O)(=O)O)Br S608246 [0,2,0,0,0,0|1,0,0]=3 288 B13R1.7922 NC1=C(C=C(C=C1Cl)S(=O)(=O)N)Cl S345695 [0,2,0,0,0,0|2,0,0]=4 289 B13R1.7922 O=S(=O)(O)C1=CC(=C(C(=C1)Cl)O)Cl S360368 [0,2,0,0,0,0|1,0,0]=3 290 B13R1.53 COC1=CC(=CC=C1S(=O)(=O)N)C CDS021660 [0,2,0,0,0,0|1,0,0]=3 291 B13R1.2809 CC1=CC(=C(C(=C1)C)S(=O)(=O)[O-])C R257540 [0,2,0,0,0,0|0,0,1]=3 292 B13R1.2809 CC1=CC(=C(C(=C1)C)S(=O)(=O)[O-])C T330345 [0,2,0,0,0,0|0,0,1]=3 293 B13R1.2809 O=S(=O)(Cl)C1=C(C=C(C=C1F)F)F CDS002770 [0,2,0,0,0,0|2,0,0]=4 294 B13R2.3051 NC1=CC=C2CS(=O)(=O)CC2=C1 CDS018591 [0,0,0,1,0,1|2,0,0]=4 295 B13R2.3051 O=S1(=O)CC2=C(C1)C=C(C=C2)Br R163457 [0,0,0,1,0,1|2,0,0]=4 296 B9R1.35 CC1=CC(=CS1)C(=O)O SYX00379 [1,0,0,0,1,0|2,0,0]=4 297 B9R1.19 CS(=O)(=O)N1C=CC=C1 PH009487 [1,0,0,0,1,0|2,0,0]=4 298 B9R1.19 O=S(=O)([O-])C1=CC=CS1 S435635 [1,0,0,0,1,0|1,0,1]=4 299 B11R1.20 CC(=O)SC1=CC=C(C=C1)C S836516 [1,0,0,0,0,1|2,0,0]=4 300 B11R1.20 CC1=CC=C(C=C1)CC(=O)Cl CDS008580 [1,0,0,0,0,1|2,0,0]=4 301 B11R1.20 CC1=CC=C(C=C1)CC(=O)N S536768 [1,0,0,0,0,1|2,0,0]=4 302 B11R1.20 CC1=CC=C(C=C1)NC(=O)N S365149 [1,0,0,0,0,1|2,0,0]=4 303 B11R1.20 CC1=CC=C(C=N1)CC(=O)O CDS019833 [1,0,0,0,0,1|2,0,0]=4 304 B11R1.509 CS(=O)(=O)CC1=CC=CC=C1 PH011646 [1,0,0,0,0,1|1,0,0]=3 305 B11R1.509 CS(=O)(=O)NC1=CC=CC=N1 T326070 [1,0,0,0,0,1|2,0,0]=4 306 B11R1.509 CS(=O)(=O)OC1=CN=CC=C1 PH009192 [1,0,0,0,0,1|2,0,0]=4 307 B11R1.509 NS(=O)(=O)OC1=CC=CC=C1 PH008054 [1,0,0,0,0,1|1,0,0]=3 308 B11R1.509 O=P(O)(O)OC1=CC=CC=C1 CDS010546 [1,0,0,0,0,1|1,0,1]=4 309 B11R1.509 O=S(=O)(Cl)CC1=CC=CN=C1 CDS010417 [1,0,0,0,0,1|2,0,0]=4 310 B11R1.509 O=S(=O)(Cl)CC1=CC=NC=C1 CDS007189 [1,0,0,0,0,1|2,0,0]=4 311 B11R1.509 O=S(=O)([O-])CC1=CC=CC=C1 S808962 [1,0,0,0,0,1|0,0,1]=3 312 B13R1.512 CC1=CC=C(C=C1)/N=N/S(=O)(=O)[O-] R429848 [0,0,0,0,0,2|0,0,1]=3