0 B10R1.13 C=C(C)C1=CC=C(C=C1)F CDS001211 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.13 CC(=O)C1=CC=C(C=N1)C CBR02273 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.13 CC(=O)C1=CC=C(N=C1)Cl CDS007858 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.13 CC(=O)C1=CC=[N+](C=C1)C R228613 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.13 CC1=CC=C(C=C1)C(=N)N CDS004524 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.13 CC1=CC=C(C=C1)S(=O)O T212016 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.13 CC1=CC=C(C=N1)B(O)O CDS020001 [0,0,0,0,0,0|2,0,2]=4 7 B10R1.13 CC1=CC=C(C=N1)[N+](=O)[O-] PH010163 [0,0,0,0,0,0|2,0,2]=4 8 B10R1.13 CC1=CC=C(N=C1)C(=O)O CDS015362 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.13 CC1=CC=C(N=N1)C(=O)O CDS023095 [0,0,0,0,0,0|2,0,1]=3 10 B10R1.13 CC1=NC=C(C=N1)C(=O)O CBR01580 [0,0,0,0,0,0|2,0,1]=3 11 B10R1.13 CC1C=CC(C=C1)C(=O)O T167762 [0,0,0,0,0,0|2,0,2]=4 12 B10R1.13 C[N+]1=CC=C(C=C1)C(=O)O S407054 [0,0,0,0,0,0|3,0,0]=3 13 B10R1.13 N1N=C(C=CC1=O)C(=O)O S909475 [0,0,0,0,0,0|1,0,0]=1 14 B10R1.13 N=C(N)C1=CC=C(C=C1)Cl CDS003585 [0,0,0,0,0,0|4,0,0]=4 15 B10R1.13 N=C(N)C1=CC=C(C=C1)F CDS004472 [0,0,0,0,0,0|4,0,0]=4 16 B10R1.13 N=C(N)C1=CC=C(C=C1)O L496618 [0,0,0,0,0,0|3,0,1]=4 17 B10R1.13 N=C(N)C1=CC=C(C=C1)O PH016728 [0,0,0,0,0,0|3,0,1]=4 18 B10R1.13 N=C(N)C1=CC=C(C=C1)O S761559 [0,0,0,0,0,0|3,0,1]=4 19 B10R1.13 NC(=O)C1=CN=C(C=C1)O EME00449 [0,0,0,0,0,0|1,0,2]=3 20 B10R1.13 NC(=S)C1=CC=C(C=C1)O CDS003997 [0,0,0,0,0,0|2,1,1]=4 21 B10R1.13 NC1=CC=C(C=C1)C(=O)O S820083 [0,0,0,0,0,0|2,0,0]=2 22 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] S571024 [0,0,0,0,0,0|2,0,1]=3 23 B10R1.13 O=C(O)C1=CC=C(C=N1)Cl CDS003151 [0,0,0,0,0,0|3,0,0]=3 24 B10R1.13 O=C(O)C1=CC=C(C=N1)O CDS004398 [0,0,0,0,0,0|2,0,1]=3 25 B10R1.13 O=C(O)C1=CN=C(N=C1)Cl CDS009961 [0,0,0,0,0,0|2,0,1]=3 26 B10R1.13 O=C(O)C1=NN=C(C=C1)Cl CDS020720 [0,0,0,0,0,0|2,0,1]=3 27 B10R1.13 O=C([O-])C1=CC=C(C=C1)I S840890 [0,0,0,0,0,0|2,0,1]=3 28 B10R1.13 O=C1C=CC(=NN1)C(=O)O CDS015149 [0,0,0,0,0,0|1,0,0]=1 29 B10R1.13 O=C1CCC(=NN1)C(=O)O PH011086 [0,0,0,0,0,0|1,0,2]=3 30 B10R1.13 O=S([O-])C1=CC=C(C=C1)Cl S614394 [0,0,0,0,0,0|3,0,1]=4 31 B10R1.13 O=[N+]([O-])C1=CC=C(C=C1)[O-] S592323 [0,0,0,0,0,0|2,0,2]=4 32 B10R1.13 O=[N+]([O-])C1=CC=C(N=C1)S PH009935 [0,0,0,0,0,0|1,1,2]=4 33 B9R1.1 C(=O)C1=CC=C(C=N1)Cl CDS015696 [1,0,0,0,0,0|3,0,0]=4 34 B9R1.1 C(=O)C1=CC=C(C=N1)Cl SYX00294 [1,0,0,0,0,0|3,0,0]=4 35 B9R1.1 CC1=CC=C(N=C1)C=O SYX00325 [1,0,0,0,0,0|3,0,0]=4 36 B9R1.1 NC1=NC=C(C=C1)CO MNO000168 [1,0,0,0,0,0|1,0,2]=4 37 B9R1.1 O=CC1=CC=C(C=N1)F CDS005163 [1,0,0,0,0,0|3,0,0]=4 38 B9R1.1 O=CC1=CC=C(N=C1)O CDS004063 [1,0,0,0,0,0|0,0,2]=3 39 B9R1.1 O=CC1=CNC(=O)C=C1 CDS007603 [1,0,0,0,0,0|0,0,0]=1 40 B9R1.6 O=C(Cl)C1=CC=CN=C1 TMT00021 [1,0,0,0,0,0|1,0,1]=3 41 B9R1.6 O=C(Cl)C1=CN=CN=C1 CDS022016 [1,0,0,0,0,0|2,0,1]=4 42 B9R1.6 O=C(Cl)C1=NC=CC=C1 CDS000333 [1,0,0,0,0,0|3,0,0]=4 43 B9R1.6 O=C(O)C1=CC=CC=N1 S172049 [1,0,0,0,0,0|2,0,0]=3 44 B9R1.6 O=C(O)C1=CC=CC=N1 S488666 [1,0,0,0,0,0|2,0,0]=3 45 B9R1.6 O=C(O)C1=CN=CN=C1 CDS003995 [1,0,0,0,0,0|1,0,1]=3 46 B9R1.6 O=C(O)C1C=CCC=C1 T167908 [1,0,0,0,0,0|1,0,2]=4 47 B9R1.6 O=C([O-])C1=CC=CC=C1 S518174 [1,0,0,0,0,0|1,0,1]=3 48 B9R1.6 O=S(O)C1=CC=CC=C1 S812617 [1,0,0,0,0,0|2,0,0]=3 49 B11R1.3 C#CC1=CC=C(C=C1)C(=O)[O-] CDS000957 [0,1,0,0,0,0|2,0,1]=4 50 B11R1.3 CCC1=CC=C(C=C1)C(=O)N TMT00666 [0,1,0,0,0,0|3,0,0]=4 51 B11R1.3 CCC1=NC=C(C=N1)C(=O)O CBR00401 [0,1,0,0,0,0|2,0,1]=4 52 B11R1.3 CNC1=NC=C(C=N1)C(=O)O CBR00047 [0,1,0,0,0,0|2,0,1]=4 53 B11R1.3 COC1=CN=C(C=N1)C(=O)O CDS021112 [0,1,0,0,0,0|1,0,2]=4 54 B11R1.3 COC1=NC=C(C=C1)C(=O)O CDS003134 [0,1,0,0,0,0|0,0,2]=3 55 B11R1.3 NC(=O)C1=CC=C(C=C1)CBr CDS007483 [0,1,0,0,0,0|3,0,0]=4 56 B11R1.3 O=C(Cl)C1=CC=C(C=C1)CBr S283436 [0,1,0,0,0,0|3,0,0]=4 57 B11R1.3 O=C(O)C1=CC=C(N=C1)CBr CDS023271 [0,1,0,0,0,0|1,0,1]=3 58 B11R1.3 O=C([O-])C1=CC=C(C=C1)[Hg]O S560510 [0,1,0,0,0,0|1,0,2]=4 59 B11R1.3 O=CC1=CC=C(C=N1)[N+](=O)[O-] CDS010508 [0,1,0,0,0,0|1,0,2]=4 60 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O OMC00049 [0,1,0,0,0,0|3,0,0]=4 61 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O OMC00050 [0,1,0,0,0,0|3,0,0]=4 62 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O PH013111 [0,1,0,0,0,0|3,0,0]=4 63 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O PH013337 [0,1,0,0,0,0|3,0,0]=4 64 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O PH013753 [0,1,0,0,0,0|3,0,0]=4 65 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O R162280 [0,1,0,0,0,0|3,0,0]=4 66 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O R466972 [0,1,0,0,0,0|3,0,0]=4 67 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S430110 [0,1,0,0,0,0|3,0,0]=4 68 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S500577 [0,1,0,0,0,0|3,0,0]=4 69 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S500623 [0,1,0,0,0,0|3,0,0]=4 70 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S656747 [0,1,0,0,0,0|3,0,0]=4 71 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S822663 [0,1,0,0,0,0|3,0,0]=4 72 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S862304 [0,1,0,0,0,0|3,0,0]=4 73 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S862495 [0,1,0,0,0,0|3,0,0]=4 74 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S862509 [0,1,0,0,0,0|3,0,0]=4 75 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S862517 [0,1,0,0,0,0|3,0,0]=4 76 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S862541 [0,1,0,0,0,0|3,0,0]=4 77 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S862568 [0,1,0,0,0,0|3,0,0]=4 78 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O S896683 [0,1,0,0,0,0|3,0,0]=4 79 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O T181021 [0,1,0,0,0,0|3,0,0]=4 80 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O T181307 [0,1,0,0,0,0|3,0,0]=4 81 B11R1.19 CC1=CC=C(C=N1)S(=O)(=O)O PH015233 [0,1,0,0,0,0|2,0,1]=4 82 B11R1.19 O=P(O)(O)C1=CC=C(C=C1)Br S915874 [0,1,0,0,0,0|3,0,0]=4 83 B11R1.19 O=P(O)(O)C1=CC=C(C=C1)Cl S859192 [0,1,0,0,0,0|3,0,0]=4 84 B11R1.21 CC(=O)C1=CC(=C(C=C1)C)N CBR02053 [0,1,0,0,0,0|3,0,0]=4 85 B11R1.21 CC(=O)C1=CC(=C(C=C1)O)O R174114 [0,1,0,0,0,0|2,0,1]=4 86 B11R1.21 CC(=O)C1=CC=C(C(=C1)F)O CDS002790 [0,1,0,0,0,0|2,0,1]=4 87 B11R1.21 CC(=O)C1=CC=C(C(=C1)N)Cl JRD0473 [0,1,0,0,0,0|3,0,0]=4 88 B11R1.21 CC(=O)C1=CC=C(C(=C1)N)F JRD0487 [0,1,0,0,0,0|3,0,0]=4 89 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)Cl R436089 [0,1,0,0,0,0|2,0,0]=3 90 B11R1.21 CC1=CC(=CC=C1I)C(=O)O PH011378 [0,1,0,0,0,0|2,0,0]=3 91 B11R1.21 CC1=CC=C(C=C1Cl)C(=O)N S716782 [0,1,0,0,0,0|3,0,0]=4 92 B11R1.21 CN1C=CC(=CC1=O)C(=O)O CBR00106 [0,1,0,0,0,0|3,0,0]=4 93 B11R1.21 CN1N=C(C=CC1=O)C(=O)O CBR00032 [0,1,0,0,0,0|1,0,0]=2 94 B11R1.21 NC(=O)C1=CC(=C(C=C1)F)N CBR01657 [0,1,0,0,0,0|3,0,0]=4 95 B11R1.21 NC(=O)C1=CC(=C(N=C1)Cl)Cl EME00445 [0,1,0,0,0,0|2,0,1]=4 96 B11R1.21 NC(=O)C1=CC=C(C(=C1)Cl)Cl PH011012 [0,1,0,0,0,0|3,0,0]=4 97 B11R1.21 NC1=NC=C(C=C1I)C(=O)O CVT00091 [0,1,0,0,0,0|1,0,1]=3 98 B11R1.21 O=C(O)C1=CC=C(C(=C1)O)Cl CDS020712 [0,1,0,0,0,0|2,0,0]=3 99 B11R1.21 O=C(O)C1=CC=C(C(=N1)Br)F CDS023920 [0,1,0,0,0,0|3,0,0]=4 100 B11R1.21 O=C(O)C1=CC=C(C(=N1)Cl)F MNO000118 [0,1,0,0,0,0|3,0,0]=4 101 B11R1.22 C/C(=N/O)/C1=CC=C(C=C1)Br PH008404 [0,1,0,0,0,0|3,0,0]=4 102 B11R1.22 C/C(=N\O)/C1=CC=C(C=C1)N PH010926 [0,1,0,0,0,0|3,0,0]=4 103 B11R1.22 C/C(=N\O)/C1=CC=C(C=C1)O PH004057 [0,1,0,0,0,0|2,0,1]=4 104 B11R1.22 CC1=CC=C(C=C1)/C(=N\O)/C S682802 [0,1,0,0,0,0|3,0,0]=4 105 B11R1.22 CC1=CC=C(C=C1)C(=O)C#N S34623 [0,1,0,0,0,0|3,0,0]=4 106 B11R1.22 CC1=CC=C(C=N1)C(=O)CCl PH019170 [0,1,0,0,0,0|2,0,1]=4 107 B11R1.22 CCC(=O)C1=CC=C(C=C1)N PH006875 [0,1,0,0,0,0|3,0,0]=4 108 B11R1.22 CNC(=O)C1=CC=C(C=C1)Br CDS003953 [0,1,0,0,0,0|3,0,0]=4 109 B11R1.22 CNC(=O)C1=CC=C(C=C1)C R580023 [0,1,0,0,0,0|3,0,0]=4 110 B11R1.22 CNC(=O)C1=CC=C(C=C1)F PH011769 [0,1,0,0,0,0|3,0,0]=4 111 B11R1.22 CNC(=O)C1=CC=C(C=C1)N CDS005578 [0,1,0,0,0,0|3,0,0]=4 112 B11R1.22 CNC(=O)C1=CNC(=O)C=C1 EME00410 [0,1,0,0,0,0|1,0,0]=2 113 B11R1.22 COC(=O)C1=CC=C(C=N1)Br CDS003613 [0,1,0,0,0,0|3,0,0]=4 114 B11R1.22 COC(=O)C1=CC=C(C=N1)O CDS005288 [0,1,0,0,0,0|2,0,1]=4 115 B11R1.22 COC(=O)C1=CC=C(N=C1)Br CDS004061 [0,1,0,0,0,0|1,0,1]=3 116 B11R1.22 COC(=O)C1=CC=[N+](C=C1)[O-] S311014 [0,1,0,0,0,0|2,0,1]=4 117 B11R1.22 COC(=O)C1=CN=C(N=C1)N ANV00033 [0,1,0,0,0,0|2,0,1]=4 118 B11R1.22 N#CC(=O)C1=CC=C(C=C1)Br S148997 [0,1,0,0,0,0|3,0,0]=4 119 B11R1.22 N/C(=N/O)/C1=CC=C(C=C1)Cl S681636 [0,1,0,0,0,0|3,0,0]=4 120 B11R1.22 NCC(=O)C1=CC=C(C=C1)Cl S138916 [0,1,0,0,0,0|3,0,0]=4 121 B11R1.22 NCC(=O)C1=CC=C(C=C1)F CDS003453 [0,1,0,0,0,0|3,0,0]=4 122 B11R1.22 O/N=C(/Cl)\C1=CC=C(C=C1)Br PH008811 [0,1,0,0,0,0|3,0,0]=4 123 B11R1.22 O/N=C(/Cl)\C1=CC=C(C=C1)Cl S52877 [0,1,0,0,0,0|3,0,0]=4 124 B11R1.22 O/N=C(/Cl)\C1=CC=C(C=C1)Cl S759082 [0,1,0,0,0,0|3,0,0]=4 125 B11R1.22 O/N=C(/Cl)\C1=CC=C(C=C1)F PH014766 [0,1,0,0,0,0|3,0,0]=4 126 B11R1.22 O/N=C(/O)\C1=CC=C(C=C1)O S566594 [0,1,0,0,0,0|1,0,2]=4 127 B11R1.22 O/N=C(\Cl)/C1=CC=C(C=C1)Br PH010308 [0,1,0,0,0,0|3,0,0]=4 128 B11R1.22 O=C(CBr)C1=CC=C(C=C1)O CDS013566 [0,1,0,0,0,0|2,0,1]=4 129 B11R1.22 O=C(CCl)C1=CC=C(C=C1)Br S852406 [0,1,0,0,0,0|3,0,0]=4 130 B11R1.22 O=C(CCl)C1=CC=C(C=C1)O S313750 [0,1,0,0,0,0|2,0,1]=4 131 B11R1.166 CC(=O)C1=C(C=C(C=C1)Br)F SYX00307 [0,1,0,0,0,0|3,0,0]=4 132 B11R1.166 CC(=O)C1=CC=C(C=C1O)Br JRD0831 [0,1,0,0,0,0|3,0,0]=4 133 B11R1.166 CC(=O)C1=CC=C(C=C1O)N CDS015316 [0,1,0,0,0,0|3,0,0]=4 134 B11R1.166 CC1=C(C=C[N+](=C1)[O-])C(=O)O T161675 [0,1,0,0,0,0|2,0,1]=4 135 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)F CDS003230 [0,1,0,0,0,0|2,0,0]=3 136 B11R1.166 CC1=CC(=C(C=N1)C(=O)O)C CDS011445 [0,1,0,0,0,0|1,0,1]=3 137 B11R1.166 CC1=CC(=C(C=N1)C(=O)O)O PH011699 [0,1,0,0,0,0|1,0,1]=3 138 B11R1.166 CC1=CC(=CN=C1C(=O)O)Br CDS022505 [0,1,0,0,0,0|3,0,0]=4 139 B11R1.166 CC1=CC=C(C(=C1)O)C(=O)N CDS013983 [0,1,0,0,0,0|3,0,0]=4 140 B11R1.166 CC1=CC=C(C(=N1)C)C(=O)O CDS013247 [0,1,0,0,0,0|1,0,1]=3 141 B11R1.166 NC(=O)C1=C(C=C(C=C1)N)Cl CBR00399 [0,1,0,0,0,0|3,0,0]=4 142 B11R1.166 NC(=O)C1=CC=C(C=C1N)Br BBO000418 [0,1,0,0,0,0|3,0,0]=4 143 B11R1.166 NC(=O)C1=CC=C(C=C1N)Cl BBO000415 [0,1,0,0,0,0|3,0,0]=4 144 B11R1.166 NC1=CC(=C(C=C1)C(=O)O)N CDS000040 [0,1,0,0,0,0|2,0,0]=3 145 B11R1.166 NC1=CC(=CN=C1C(=O)O)Br ADE000138 [0,1,0,0,0,0|3,0,0]=4 146 B11R1.166 NC1=CC=C(C(=C1)O)C(=O)[O-] S561061 [0,1,0,0,0,0|2,0,1]=4 147 B11R1.166 NC1=NC(=O)NC=C1C(=O)O CDS009934 [0,1,0,0,0,0|1,0,0]=2 148 B11R1.166 O=C(O)C1=C(C=C(C=C1)O)Cl TMT00164 [0,1,0,0,0,0|1,0,1]=3 149 B11R1.166 O=C(O)C1=CC=C(C=C1F)O CDS002815 [0,1,0,0,0,0|1,0,1]=3 150 B11R1.166 O=C(O)C1=CC=C(C=C1O)S PH007026 [0,1,0,0,0,0|1,1,0]=3 151 B11R1.166 O=C(O)C1=CC=C(N=C1Cl)Br ADE000582 [0,1,0,0,0,0|1,0,1]=3 152 B11R1.166 O=C(O)C1=CNC(=S)NC1=O PH000413 [0,1,0,0,0,0|1,1,0]=3 153 B11R1.166 O=C(O)C1=NC=C(C=C1F)Br ADE000140 [0,1,0,0,0,0|3,0,0]=4 154 B11R1.166 O=C(O)C1=NNC(=S)NC1=O S784028 [0,1,0,0,0,0|2,1,0]=4 155 B11R1.166 O=C1NC=C(C(=O)N1)B(O)O CDS001345 [0,1,0,0,0,0|2,0,1]=4 156 B11R1.166 O=C1NN=C(C(=O)N1)C(=O)O PH008629 [0,1,0,0,0,0|2,0,0]=3 157 B9R0.13 C/C=C/C=C(\C#N)/C(=O)O PH010529 [0,0,1,0,0,0|1,0,2]=4 158 B9R1.35 CC(=O)C1=CC=C(S1)C S552038 [0,0,0,0,1,0|3,0,0]=4 159 B9R1.35 CC(=O)C1=CNC(=N1)C PH000026 [0,0,0,0,1,0|3,0,0]=4 160 B9R1.35 CC(=O)C1=CSC(=C1)Cl PHB00060 [0,0,0,0,1,0|3,0,0]=4 161 B9R1.35 CC1=CC(=CS1)C(=O)O SYX00379 [0,0,0,0,1,0|2,0,0]=3 162 B9R1.35 CC1=CC=C(O1)C(=O)[O-] R127981 [0,0,0,0,1,0|2,0,1]=4 163 B9R1.35 CC1=CNC(=N1)C(=O)O CBR02470 [0,0,0,0,1,0|2,0,1]=4 164 B9R1.35 CC1=CSC(=N1)C(=O)O CDS022513 [0,0,0,0,1,0|2,0,1]=4 165 B9R1.35 CC1=NC=C(S1)C(=O)O ANV00256 [0,0,0,0,1,0|2,0,1]=4 166 B9R1.35 CC1=NOC(=C1)C(=O)O PH000227 [0,0,0,0,1,0|2,0,1]=4 167 B9R1.35 NC(=O)C1=CC=C(S1)Br CBR00204 [0,0,0,0,1,0|3,0,0]=4 168 B9R1.35 NC(=O)C1=NNC(=C1)N CBR00929 [0,0,0,0,1,0|3,0,0]=4 169 B9R1.35 NC1=CSC(=C1)C(=O)O CDS010170 [0,0,0,0,1,0|2,0,0]=3 170 B9R1.35 NC1=NC(=CS1)C(=O)O CDS003787 [0,0,0,0,1,0|2,0,1]=4 171 B9R1.35 NC1=NC=C(O1)C(=O)O CDS023546 [0,0,0,0,1,0|2,0,1]=4 172 B9R1.35 NC1=NC=C(S1)C(=O)O CDS004559 [0,0,0,0,1,0|2,0,1]=4 173 B9R1.35 O=C(Cl)C1=CC(=CS1)Br CDS013861 [0,0,0,0,1,0|3,0,0]=4 174 B9R1.35 O=C(O)C1=CC=C(O1)Cl CDS012743 [0,0,0,0,1,0|2,0,0]=3 175 B9R1.35 O=C(O)C1=CN=C(S1)Cl CDS005928 [0,0,0,0,1,0|2,0,1]=4 176 B9R1.35 O=C(O)C1=CNC(=N1)O CDS002053 [0,0,0,0,1,0|1,0,1]=3 177 B9R1.35 O=C(O)C1=CSC(=C1)Br CDS013228 [0,0,0,0,1,0|2,0,0]=3 178 B9R1.35 O=C(O)C1=CSC(=N1)Br CDS004762 [0,0,0,0,1,0|2,0,1]=4 179 B9R1.35 O=C(O)C1=CSC(=N1)Br SYX00342 [0,0,0,0,1,0|2,0,1]=4 180 B9R1.35 O=C(O)C1=CSC(=N1)Cl JRD0388 [0,0,0,0,1,0|2,0,1]=4 181 B9R1.35 O=C(O)C1=NNC(=N1)Cl CBR01522 [0,0,0,0,1,0|3,0,0]=4 182 B9R1.35 O=C1NC=C(N1)C(=O)O CBR00002 [0,0,0,0,1,0|1,0,0]=2 183 B11R1.20 CC(=O)CC1=CC=C(C=C1)Cl CDS004628 [0,0,0,0,0,1|3,0,0]=4 184 B11R1.20 CC(=O)CC1=CC=C(C=C1)O PH011294 [0,0,0,0,0,1|2,0,1]=4 185 B11R1.20 CC(=O)NC1=CC=C(C=C1)F S397075 [0,0,0,0,0,1|3,0,0]=4 186 B11R1.20 CC(=O)NC1=CC=C(C=C1)I S872970 [0,0,0,0,0,1|3,0,0]=4 187 B11R1.20 CC(=O)NC1=CC=C(C=C1)[O-] S829218 [0,0,0,0,0,1|2,0,1]=4 188 B11R1.20 CC(=O)SC1=CC=C(C=C1)C S836516 [0,0,0,0,0,1|3,0,0]=4 189 B11R1.20 CC1=CC=C(C=C1)CC(=O)Cl CDS008580 [0,0,0,0,0,1|3,0,0]=4 190 B11R1.20 CC1=CC=C(C=C1)CC(=O)N S536768 [0,0,0,0,0,1|3,0,0]=4 191 B11R1.20 CC1=CC=C(C=C1)NC(=O)N S365149 [0,0,0,0,0,1|3,0,0]=4 192 B11R1.20 CC1=CC=C(C=N1)CC(=O)O CDS019833 [0,0,0,0,0,1|1,0,1]=3 193 B11R1.20 NC(=O)CC1=CC=C(C=C1)Cl CDS011494 [0,0,0,0,0,1|3,0,0]=4 194 B11R1.20 NC(=O)NC1=CC=C(C=C1)Cl S441228 [0,0,0,0,0,1|3,0,0]=4 195 B11R1.20 NC(=O)NC1=CC=C(C=C1)F S601527 [0,0,0,0,0,1|3,0,0]=4 196 B11R1.20 NC1=CC=C(C=C1)CC(=S)O R466522 [0,0,0,0,0,1|2,1,0]=4 197 B11R1.20 O=C(Br)NC1=CC=C(C=C1)Br S280003 [0,0,0,0,0,1|3,0,0]=4 198 B11R1.20 O=C(Cl)SC1=CC=C(C=C1)Cl S592773 [0,0,0,0,0,1|3,0,0]=4 199 B11R1.20 O=C(O)CC1=CC=C(N=C1)Cl CDS003355 [0,0,0,0,0,1|1,0,1]=3 200 B8R0.28 N=C(N)S/C=C\C(=O)O PH006862 [1,0,1,0,0,0|2,0,0]=4 201 B8R1.2 C(=O)C1=CN=CN=C1 CDS004733 [2,0,0,0,0,0|1,0,1]=4 202 B8R1.2 C=CC1=CC=CC=C1 S460680 [2,0,0,0,0,0|2,0,0]=4 203 B8R1.2 C=CC1=CC=CC=C1 S461830 [2,0,0,0,0,0|2,0,0]=4 204 B8R1.2 C=CC1=CC=CC=C1 S462152 [2,0,0,0,0,0|2,0,0]=4 205 B8R1.2 O=CC1=CN=CC=N1 CDS008587 [2,0,0,0,0,0|1,0,1]=4 206 B8R1.2 O=[Sb]C1=CC=CC=C1 S727148 [2,0,0,0,0,0|2,0,0]=4 207 B8R1.3 CC1=CNC(=O)C=C1 T162647 [2,0,0,0,0,0|0,0,1]=3 208 B8R1.3 CC1=NNC(=O)C=C1 CDS000691 [2,0,0,0,0,0|1,0,1]=4 209 B8R1.3 N1C=C(C=CC1=O)N ANV00289 [2,0,0,0,0,0|1,0,0]=3 210 B8R1.3 O=C1C=CC(=CN1)Cl T166464 [2,0,0,0,0,0|1,0,0]=3 211 B10R1.1 C(=O)NC1=CC=C(C=C1)C S580171 [1,1,0,0,0,0|2,0,0]=4 212 B10R1.1 C(=O)NC1=CC=C(C=C1)O S540560 [1,1,0,0,0,0|1,0,1]=4 213 B10R1.1 CC1=CC=C(C=C1)/C=N/O S907154 [1,1,0,0,0,0|2,0,0]=4 214 B10R1.1 O/N=C/C1=CC=C(C=C1)I S907146 [1,1,0,0,0,0|2,0,0]=4 215 B10R1.1 O/N=C/C1=CC=C(C=C1)O PH010937 [1,1,0,0,0,0|1,0,1]=4 216 B10R1.1 O=CNC1=CC=C(C=C1)F S576530 [1,1,0,0,0,0|2,0,0]=4 217 B10R1.1 ON=CC1=CC=C(C=C1)Cl S520594 [1,1,0,0,0,0|2,0,0]=4 218 B10R1.3 NCC1=CC=C(C=C1)C=O PH018701 [1,1,0,0,0,0|2,0,0]=4 219 B10R1.3 O=CC1=CC=C(N=C1)CF PH016021 [1,1,0,0,0,0|1,0,1]=4 220 B10R1.25 C(=O)C1=C(C=C(C=C1)N)Cl R538892 [1,1,0,0,0,0|2,0,0]=4 221 B10R1.25 C(=O)C1=CC=C(C=C1Br)F CDS002990 [1,1,0,0,0,0|2,0,0]=4 222 B10R1.25 CC1=CC(=CC=C1C=O)O CDS005358 [1,1,0,0,0,0|1,0,1]=4 223 B10R1.25 O=CC1=C(C=C(C=C1)Cl)F CDS006860 [1,1,0,0,0,0|2,0,0]=4 224 B10R1.25 O=CC1=CC=C(C=C1Cl)Br CDS017413 [1,1,0,0,0,0|2,0,0]=4 225 B10R1.25 O=CC1=CC=C(N=C1Cl)Br ADE000570 [1,1,0,0,0,0|1,0,1]=4 226 B10R1.176 C(=O)C1=CC(=C(C=C1)Br)Br R277363 [1,1,0,0,0,0|2,0,0]=4 227 B10R1.176 CC1=C(N=CC(=C1)C=O)Cl KOB0126 [1,1,0,0,0,0|1,0,1]=4 228 B10R1.176 O=CC1=CC=C(C(=C1)F)O CDS003043 [1,1,0,0,0,0|1,0,1]=4 229 B10R1.176 O=CC1=CN=C(C(=C1)F)Cl CDS023935 [1,1,0,0,0,0|1,0,1]=4 230 B10R1.15 C/C(=N\O)/C1=CN=CC=C1 PH005162 [1,1,0,0,0,0|1,0,1]=4 231 B10R1.15 C=C(OC)C1=CC=CC=C1 PH000315 [1,1,0,0,0,0|2,0,0]=4 232 B10R1.15 CSC(=O)C1=CC=CC=C1 S918059 [1,1,0,0,0,0|1,1,0]=4 233 B10R1.15 N/C(=N\O)/C1=CC=CC=C1 CDS001188 [1,1,0,0,0,0|2,0,0]=4 234 B10R1.15 NNC(=O)C1=CC=CC=C1 S463663 [1,1,0,0,0,0|2,0,0]=4 235 B10R1.15 O=C(N[O-])C1=CC=CC=C1 S453080 [1,1,0,0,0,0|1,0,1]=4 236 B10R1.15 [Li]OS(=O)C1=CC=CC=C1 S301140 [1,1,0,0,0,0|2,0,0]=4 237 B10R1.61 CC1=C(C=CC=N1)C(=O)N PH011108 [1,1,0,0,0,0|1,0,1]=4 238 B10R1.61 CC1=C(C=NC=C1)C(=O)O CDS013547 [1,1,0,0,0,0|0,0,1]=3 239 B10R1.61 CC1=NC=NC=C1C(=O)O CBR00009 [1,1,0,0,0,0|1,0,1]=4 240 B10R1.61 NC1=CC=CN=C1C(=O)O CDS003125 [1,1,0,0,0,0|2,0,0]=4 241 B10R1.61 NC1=NC=NC=C1C(=O)O CDS007566 [1,1,0,0,0,0|1,0,1]=4 242 B10R1.61 O=C(O)C1=CC=CC=C1O R156981 [1,1,0,0,0,0|1,0,0]=3 243 B10R1.61 O=C(O)C1=CC=CC=C1O S693014 [1,1,0,0,0,0|1,0,0]=3 244 B10R1.61 O=C(O)C1=CC=NC=C1I CDS008728 [1,1,0,0,0,0|2,0,0]=4 245 B10R1.61 O=C(O)C1=CC=NC=C1O CDS013887 [1,1,0,0,0,0|2,0,0]=4 246 B10R1.61 O=C(O)C1=NC=CN=C1Cl PH009862 [1,1,0,0,0,0|1,0,1]=4 247 B10R1.61 O=C([O-])C1=C(C=CC=C1)O S171824 [1,1,0,0,0,0|1,0,1]=4 248 B10R1.113 CC(=O)C1=C[N+](=CC=C1)C S303313 [1,1,0,0,0,0|1,0,1]=4 249 B10R1.113 C[N+]1=CC(=CC=C1)C(=O)O L169226 [1,1,0,0,0,0|0,0,1]=3 250 B10R1.113 C[N+]1=CC(=CC=C1)C(=O)O S414255 [1,1,0,0,0,0|0,0,1]=3 251 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)N S626821 [1,1,0,0,0,0|1,0,1]=4 252 B10R1.113 NC(=O)C1=CC=CC(=C1)Br TMT00344 [1,1,0,0,0,0|2,0,0]=4 253 B10R1.113 NC(=O)C1=CC=CC(=C1)Cl CDS003328 [1,1,0,0,0,0|2,0,0]=4 254 B10R1.113 NC1=CC(=NC=C1)C(=O)O PHB00041 [1,1,0,0,0,0|2,0,0]=4 255 B10R1.113 NC1=CC=NC(=C1)C(=O)O CDS007808 [1,1,0,0,0,0|2,0,0]=4 256 B10R1.113 NC1=NC=CC(=C1)C(=O)O ADE000133 [1,1,0,0,0,0|2,0,0]=4 257 B10R1.113 O=C(Cl)C1=CC=CC(=C1)I CDS001158 [1,1,0,0,0,0|2,0,0]=4 258 B10R1.113 O=C(O)C1=CC(=NC=C1)O CDS003015 [1,1,0,0,0,0|2,0,0]=4 259 B10R1.113 O=C(O)C1=C[N+](=CC=N1)[O-] PH009754 [1,1,0,0,0,0|1,0,1]=4 260 B10R1.113 O=C(O)C1=NC(=CC=C1)I ADE000333 [1,1,0,0,0,0|2,0,0]=4 261 B10R1.113 O=C(O)C1=NC=CC(=C1)Cl ADE000290 [1,1,0,0,0,0|2,0,0]=4 262 B10R1.113 O=C(O)C1=NC=CC(=C1)Cl CDS000043 [1,1,0,0,0,0|2,0,0]=4 263 B10R1.113 O=C(O)C1=NC=CC(=C1)I PHB00300 [1,1,0,0,0,0|2,0,0]=4 264 B10R1.113 O=C(O)C1=NC=CC(=C1)O CDS005228 [1,1,0,0,0,0|2,0,0]=4 265 B10R1.113 O=C1C=C(C=NN1)C(=O)O CDS022708 [1,1,0,0,0,0|1,0,1]=4 266 B10R1.113 O=C1C=CC=C(O1)C(=O)O CDS020731 [1,1,0,0,0,0|2,0,0]=4 267 B10R1.14 COC(=O)C1=CC(=CS1)Br CDS005911 [0,1,0,0,1,0|2,0,0]=4 268 B10R1.14 COC(=O)C1=CC=C(O1)Br S810541 [0,1,0,0,1,0|2,0,0]=4 269 B10R1.31 CCC1=CC=C(O1)C(=O)O CDS002389 [0,1,0,0,1,0|2,0,0]=4 270 B10R1.31 CCC1=CC=C(S1)C(=O)O CDS012603 [0,1,0,0,1,0|2,0,0]=4 271 B10R1.31 CSC1=CC=C(S1)C(=O)O CDS017426 [0,1,0,0,1,0|1,1,0]=4 272 B10R1.31 N#CC1=CNC(=C1)C(=O)O CDS006896 [0,1,0,0,1,0|2,0,0]=4 273 B10R1.31 NCC1=CC=C(S1)C(=O)O PH015546 [0,1,0,0,1,0|2,0,0]=4 274 B10R1.31 O=CC1=CC=C(N1)C(=O)O CDS004821 [0,1,0,0,1,0|0,0,0]=2 275 B10R1.31 O=CC1=CC=C(N1)[N+](=O)[O-] PH003274 [0,1,0,0,1,0|1,0,1]=4 276 B10R1.31 O=CC1=CC=C(O1)C(=O)O CDS000126 [0,1,0,0,1,0|1,0,0]=3 277 B10R1.58 CC1=C(OC(=C1)C(=O)O)C CDS011379 [0,1,0,0,1,0|2,0,0]=4 278 B10R1.58 O=C(O)C1=CC(=C(S1)Br)Br PH010473 [0,1,0,0,1,0|2,0,0]=4 279 B10R1.59 CC(=O)C1=C(C=C(N1)C)C PH014632 [0,1,0,0,1,0|2,0,0]=4 280 B10R1.59 CC1=C(SC(=O)N1)C(=O)O OTV000413 [0,1,0,0,1,0|1,0,0]=3 281 B10R1.59 CC1=CC(=C(N1)C)C(=O)O PH010596 [0,1,0,0,1,0|1,0,0]=3 282 B10R1.59 CC1=CC(=C(O1)C(=O)O)C PH014459 [0,1,0,0,1,0|2,0,0]=4 283 B10R1.59 CC1=CC(=C(S1)N)C(=O)O CBR00110 [0,1,0,0,1,0|2,0,0]=4 284 B10R1.59 O=C(O)C1=C(C=C(O1)Br)Br S813745 [0,1,0,0,1,0|2,0,0]=4 285 B10R1.194 CC1=CC=C(N1C)C(=O)O CBR01594 [0,1,0,0,1,0|1,0,0]=3 286 B12R1.19 O=C(O)CC1=CC=C(C(=C1)Br)O CDS004577 [0,1,0,0,0,1|1,0,1]=4 287 B12R1.19 O=C(O)CC1=CC=C(C(=C1)F)Cl CDS022092 [0,1,0,0,0,1|2,0,0]=4 288 B12R1.20 CC(C(=O)O)C1=CC=C(C=C1)F S450359 [0,1,0,0,0,1|2,0,0]=4 289 B12R1.20 NC(C(=O)O)C1=CC=C(C=C1)O PH000116 [0,1,0,0,0,1|1,0,1]=4 290 B12R1.20 NC1=CC=C(C=C1)C(N)C(=O)O PH000028 [0,1,0,0,0,1|2,0,0]=4 291 B12R1.20 O=C(O)C(O)C1=CC=C(C=C1)Cl CDS019939 [0,1,0,0,0,1|2,0,0]=4 292 B12R1.49 COC(=O)CC1=CC=C(C=C1)Br PH005153 [0,1,0,0,0,1|2,0,0]=4 293 B12R1.49 COC(=O)CC1=CC=C(C=C1)Cl S734578 [0,1,0,0,0,1|2,0,0]=4 294 B12R1.49 COC(=O)CC1=CC=C(C=C1)N CDS002964 [0,1,0,0,0,1|2,0,0]=4 295 B12R1.49 COC(=O)NC1=CC=C(C=C1)Br S667692 [0,1,0,0,0,1|2,0,0]=4 296 B12R1.49 COC(=O)NC1=CC=C(C=C1)C S612707 [0,1,0,0,0,1|2,0,0]=4 297 B12R1.49 O=C(NO)NC1=CC=C(C=C1)Br S649791 [0,1,0,0,0,1|2,0,0]=4 298 B12R1.49 O=C(NO)NC1=CC=C(C=C1)Cl S595675 [0,1,0,0,0,1|2,0,0]=4 299 B12R1.233 CC1=CC=C(C(=C1)O)CC(=O)O PH016856 [0,1,0,0,0,1|2,0,0]=4 300 B12R1.233 O=C(O)CN1C=CC(=O)NC1=O CDS012581 [0,1,0,0,0,1|1,0,0]=3 301 B12R1.1891 COC1=CC=C(CC=C1)C(=O)O L168424 [0,1,0,0,0,1|1,0,1]=4 302 B12R1.5 CNC1=CC=C(C=C1)C(=O)OC S943266 [0,2,0,0,0,0|2,0,0]=4 303 B12R1.5 COC(=O)C1=CC=C(C=C1)SC JRD0440 [0,2,0,0,0,0|1,1,0]=4 304 B12R1.5 COC(=O)C1=CC=C(N=C1)C=O CDS016358 [0,2,0,0,0,0|0,0,1]=3 305 B12R1.5 COC(=O)C1=CC=C(N=C1)OC PH011211 [0,2,0,0,0,0|0,0,2]=4 306 B12R1.5 COC(=O)C1=CN=C(C=C1)CO ADE000411 [0,2,0,0,0,0|0,0,2]=4 307 B12R1.5 [C-]#[N+]C1=CC=C(C=C1)C(=O)OC PH015477 [0,2,0,0,0,0|2,0,0]=4 308 B12R1.48 CC1=CC(=CC=C1C#N)C(=O)O CDS021252 [0,2,0,0,0,0|2,0,0]=4 309 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)Br S561681 [0,2,0,0,0,0|1,0,1]=4 310 B12R1.48 COC1=CC=C(C=C1C)C(=O)O CDS002965 [0,2,0,0,0,0|1,0,1]=4 311 B12R1.48 N#CC1=CC=C(C=C1Br)C(=O)O CDS004195 [0,2,0,0,0,0|2,0,0]=4 312 B12R1.113 C=CCC1=CC=C(C=C1)C(=O)O CDS019298 [0,2,0,0,0,0|2,0,0]=4 313 B12R1.113 CC(=O)C1=CC=C(C=C1)NC=O S921378 [0,2,0,0,0,0|2,0,0]=4 314 B12R1.113 CCOC1=CC=C(C=N1)C(=O)O CDS010146 [0,2,0,0,0,0|0,0,2]=4 315 B12R1.113 COCC1=CC=C(C=C1)C(=O)O CDS015439 [0,2,0,0,0,0|1,0,1]=4 316 B12R1.113 CSCC1=CC=C(C=C1)C(=O)O OTV000788 [0,2,0,0,0,0|1,1,0]=4 317 B12R1.256 CC(=O)C1=CC=C(C=C1)C(=O)N ANV00310 [0,2,0,0,0,0|2,0,0]=4 318 B12R1.256 CC(Br)C1=CC=C(C=C1)C(=O)O S621269 [0,2,0,0,0,0|2,0,0]=4 319 B12R1.256 CN(C)C1=NC=C(C=C1)C(=O)O CBR01958 [0,2,0,0,0,0|1,0,1]=4 320 B12R1.256 NC(=O)C1=CC=C(C=C1)C(=O)O CDS004491 [0,2,0,0,0,0|1,0,0]=3 321 B12R1.256 O=C(O)C1=CC=C(C=C1)[N+](=O)[O-] S175684 [0,2,0,0,0,0|1,0,0]=3 322 B12R1.256 O=C(S)C1=CC=C(C=C1)C(=O)S S427888 [0,2,0,0,0,0|1,1,0]=4 323 B12R1.452 COC1=CC=C(C(=N1)Cl)C(=O)O ADE000607 [0,2,0,0,0,0|0,0,2]=4 324 B12R1.56 CCN1N=C(C=CC1=O)C(=O)O T326607 [0,2,0,0,0,0|1,0,0]=3 325 B12R1.56 COC1=C(N=CC(=C1)C(=O)O)O ADE000652 [0,2,0,0,0,0|0,0,2]=4 326 B12R1.56 COC1=CC(=CC=C1Br)C(=O)O CDS005772 [0,2,0,0,0,0|2,0,0]=4 327 B12R1.56 COC1=CC(=CC=C1Cl)C(=O)O ANV00031 [0,2,0,0,0,0|2,0,0]=4 328 B12R1.232 CC(=O)C1=C(OC(=O)C(=C1)Cl)C S894265 [0,2,0,0,0,0|2,0,0]=4 329 B12R1.232 CC(=O)N1C=C(C(=O)NC1=O)C PH009748 [0,2,0,0,0,0|2,0,0]=4 330 B12R1.232 CC1=C(C=C(C(=C1)O)C(=O)O)C JRD0550 [0,2,0,0,0,0|2,0,0]=4 331 B12R1.232 CC1=C(C=C(C(=C1)O)C(=O)O)Cl JRD0551 [0,2,0,0,0,0|2,0,0]=4 332 B12R1.232 CC1=C(NC(=O)C(=C1)C(=O)O)C CBR00208 [0,2,0,0,0,0|1,0,0]=3 333 B12R1.232 CC1=CC(=C(C=C1C(=O)O)F)F CDS013819 [0,2,0,0,0,0|2,0,0]=4 334 B12R1.232 CC1=CC(=C(C=C1I)C(=O)O)I T304727 [0,2,0,0,0,0|2,0,0]=4 335 B12R1.232 CC1=CC(=O)C(=CN1C)C(=O)O T139262 [0,2,0,0,0,0|1,0,0]=3 336 B12R1.232 NC1=CC(=C(C=C1Cl)C(=O)O)O PH008049 [0,2,0,0,0,0|2,0,0]=4 337 B12R1.232 O=C(O)C1=C(C=C(C(=C1)I)F)F MNO000199 [0,2,0,0,0,0|2,0,0]=4 338 B12R1.232 O=C(O)C1=CC(=C(C=C1F)F)Cl CDS003243 [0,2,0,0,0,0|2,0,0]=4 339 B12R1.232 O=C(O)C1=CC(=C(C=C1O)O)O L168718 [0,2,0,0,0,0|1,0,1]=4 340 B12R1.367 COC(=O)C1=CC(=C(C=C1)C)C PH000182 [0,2,0,0,0,0|2,0,0]=4 341 B12R1.367 COC(=O)C1=CC(=C(C=C1)N)O CDS014285 [0,2,0,0,0,0|2,0,0]=4 342 B12R1.367 COC(=O)C1=CC(=C(C=C1)O)N CDS014143 [0,2,0,0,0,0|1,0,1]=4 343 B12R1.367 COC(=O)C1=CC=C(C(=C1)Br)O CDS011072 [0,2,0,0,0,0|1,0,1]=4 344 B12R1.367 COC(=O)C1=CC=C(C(=C1)Cl)O PH011381 [0,2,0,0,0,0|1,0,1]=4 345 B12R1.367 COC(=O)C1=CN(C(=O)C=C1)C S954683 [0,2,0,0,0,0|0,0,0]=2 346 B12R1.367 O=C(NO)C1=CC=C(C(=C1)O)O PH005131 [0,2,0,0,0,0|1,0,1]=4 347 B12R1.893 CC1=C(C(=CC=C1C(=O)O)F)Cl PH017348 [0,2,0,0,0,0|2,0,0]=4 348 B12R1.893 CC1=C(C(=CC=C1O)C(=O)O)O S947814 [0,2,0,0,0,0|1,0,1]=4 349 B12R1.893 CC1=C(C=CC(=C1N)C(=O)O)Cl T276375 [0,2,0,0,0,0|2,0,0]=4 350 B12R1.893 CC1=CC=C(C(=O)N1C)C(=O)O CDS002379 [0,2,0,0,0,0|1,0,0]=3 351 B12R1.893 O=C(O)C1=CC=C(C(=C1Cl)F)Cl MNO000056 [0,2,0,0,0,0|2,0,0]=4 352 B12R1.893 O=C(O)C1=CC=C(C(=C1F)Cl)F CDS001173 [0,2,0,0,0,0|2,0,0]=4 353 B12R1.893 O=C(O)C1=CC=C(C(=C1F)F)O CDS008686 [0,2,0,0,0,0|1,0,1]=4 354 B12R1.1005 CC1=C(C(=CC(=C1)C(=O)O)N)Cl PH015483 [0,2,0,0,0,0|2,0,0]=4 355 B12R1.1005 CC1=C(C=C(C=C1Cl)C(=O)O)N PH018740 [0,2,0,0,0,0|2,0,0]=4 356 B12R1.1005 CC1=C(C=C(C=C1N)C(=O)O)N PH011653 [0,2,0,0,0,0|2,0,0]=4 357 B12R1.1005 CC1=CC(=CC(=C1O)C)C(=O)O PH000053 [0,2,0,0,0,0|1,0,1]=4 358 B12R1.1005 CC1=CC(=CN(C1=O)C)[N+](=O)[O-] S63526 [0,2,0,0,0,0|1,0,1]=4 359 B12R1.1005 NC1=CC(=CC(=C1Cl)Cl)C(=O)O PH015088 [0,2,0,0,0,0|2,0,0]=4 360 B12R1.1005 O=C(O)C1=CC(=C(C(=C1)Cl)F)F CDS022145 [0,2,0,0,0,0|2,0,0]=4 361 B12R1.1005 O=C(O)C1=CC(=C(C(=C1)O)O)Br S843792 [0,2,0,0,0,0|1,0,1]=4 362 B12R1.16 CCOC(=O)C1=CC=C(C=C1)Cl S705764 [0,2,0,0,0,0|2,0,0]=4 363 B12R1.16 CCOC(=O)C1=CC=C(C=C1)N R284645 [0,2,0,0,0,0|2,0,0]=4 364 B12R1.1703 CC1=CC=C(C(=C1)O)C(=O)NO PH010314 [0,2,0,0,0,0|2,0,0]=4 365 B12R1.1703 COC(=O)C1=C(C=C(C=C1)C)C EME00062 [0,2,0,0,0,0|2,0,0]=4 366 B12R1.1703 COC(=O)C1=C(C=C(C=C1)N)Cl PH009694 [0,2,0,0,0,0|2,0,0]=4 367 B12R1.1703 COC(=O)C1=C(C=C(C=C1)N)O PH001949 [0,2,0,0,0,0|2,0,0]=4 368 B12R1.1703 COC(=O)C1=CC=C(C=C1N)Br CDS022573 [0,2,0,0,0,0|2,0,0]=4 369 B12R1.1703 COC(=O)C1=CC=C(C=C1N)F CDS023419 [0,2,0,0,0,0|2,0,0]=4 370 B12R1.1703 COC(=O)C1=CC=C(C=C1O)Br JRD0832 [0,2,0,0,0,0|2,0,0]=4 371 B12R1.1703 COC(=O)C1=CC=C(C=C1O)C PH011099 [0,2,0,0,0,0|2,0,0]=4 372 B12R1.1703 COC(=O)C1=CC=C(C=C1O)F JRD0834 [0,2,0,0,0,0|2,0,0]=4 373 B12R1.1703 COC(=O)C1=CC=C(N=C1Cl)Br ADE000594 [0,2,0,0,0,0|1,0,1]=4 374 B12R1.1703 O=C(NO)C1=C(C=C(C=C1)Cl)Cl PH010543 [0,2,0,0,0,0|2,0,0]=4 375 B12R1.57 NNC1=C(C=CC(=C1)Cl)C(=O)O PH001526 [0,2,0,0,0,0|2,0,0]=4 376 B12R1.1000 CC1=C(C(=CC(=C1)F)I)C(=O)O L511900 [0,2,0,0,0,0|2,0,0]=4 377 B12R1.1000 CC1=C(C(=O)NC(=O)N1)C(=O)O PH009235 [0,2,0,0,0,0|1,0,0]=3 378 B12R1.1000 CC1=CC(=C(C(=C1)I)C(=O)O)I L511978 [0,2,0,0,0,0|2,0,0]=4 379 B12R1.1000 CC1=CC(=C(C(=C1)O)C(=O)O)O S84299 [0,2,0,0,0,0|2,0,0]=4 380 B12R1.1000 CC1=CC(=C(C(=O)O1)C(=O)O)C T321648 [0,2,0,0,0,0|2,0,0]=4 381 B12R1.1000 CC1=CC(=O)NC(=C1C(=O)O)C CBR01649 [0,2,0,0,0,0|0,0,0]=2 382 B12R1.1000 CC1=CC(=O)OC(=C1C(=O)O)C S457507 [0,2,0,0,0,0|1,0,0]=3 383 B12R1.1000 CC1=CC(=O)OC(=C1C(=O)O)C S946400 [0,2,0,0,0,0|1,0,0]=3 384 B12R1.1000 NC1=CC(=CC(=C1C(=O)O)Cl)Cl CDS017594 [0,2,0,0,0,0|2,0,0]=4 385 B12R1.1000 O=C(O)C1=C(C=C(C=C1O)O)O PH005103 [0,2,0,0,0,0|1,0,1]=4 386 B10R2.320 O=C1CC2=C1C=CC=C2 T205540 [1,0,0,1,0,0|2,0,0]=4 387 B12R2.606 O=C1NC2=C(O1)C=C(C=C2)Cl R645915 [0,0,0,1,0,1|2,0,0]=4 388 B12R2.606 O=C1NC2=C(O1)C=C(C=C2)I CDS022774 [0,0,0,1,0,1|2,0,0]=4 389 B12R2.612 NC1=CC2=C(C=C1)C(=O)OC2 CDS002180 [0,1,0,1,0,0|2,0,0]=4 390 B8R0.23 C(=C(/Br)\C(=O)O)\C(=O)O S455768 [0,0,1,0,1,0|2,0,0]=4 391 B8R0.23 O=C(O)/C=C(\Cl)/C(=O)O S864625 [0,0,1,0,1,0|2,0,0]=4 392 B8R1.7 CC(=O)C1=CNC=C1 CDS015198 [1,0,0,0,1,0|1,0,0]=3 393 B8R1.7 CC(=O)C1=NC=CN1 CBR02095 [1,0,0,0,1,0|2,0,0]=4 394 B8R1.7 NC(=O)C1=CC=CN1 CDS004399 [1,0,0,0,1,0|1,0,0]=3 395 B8R1.7 NC(=S)C1=CC=CN1 BOG00082 [1,0,0,0,1,0|1,1,0]=4 396 B8R1.7 O=C(O)C1=CC=CO1 S927228 [1,0,0,0,1,0|1,0,0]=3 397 B8R1.7 O=C(O)C1=CC=NN1 CDS005690 [1,0,0,0,1,0|1,0,0]=3 398 B8R1.7 O=C(O)C1=CC=NS1 CDS010046 [1,0,0,0,1,0|1,0,1]=4 399 B8R1.7 O=C(O)C1=CN=CS1 CDS007958 [1,0,0,0,1,0|1,0,1]=4 400 B8R1.7 O=C(O)C1=CN=NN1 CDS001736 [1,0,0,0,1,0|2,0,0]=4 401 B8R1.7 O=C(O)C1=CNN=N1 CDS008829 [1,0,0,0,1,0|2,0,0]=4 402 B8R1.7 O=C(O)C1=CON=C1 CDS009962 [1,0,0,0,1,0|1,0,1]=4 403 B8R1.7 O=C(O)C1=CSN=C1 T312894 [1,0,0,0,1,0|1,0,1]=4 404 B8R1.7 O=C(O)C1=NC=CN1 CDS019334 [1,0,0,0,1,0|1,0,0]=3 405 B10R0.55 COC(=O)/C=C\C=C/C(=O)O T278475 [0,0,1,0,0,1|1,0,1]=4 406 B10R1.18 CC(=O)CC1=CC=CN=C1 CBR01416 [1,0,0,0,0,1|1,0,1]=4 407 B10R1.18 O=C(Cl)SC1=CC=CC=C1 S561231 [1,0,0,0,0,1|2,0,0]=4 408 B10R1.18 O=C(O)CC1=CN=CC=N1 CDS003770 [1,0,0,0,0,1|1,0,1]=4 409 B10R1.18 O=C([O-])CC1=CN=CC=C1 S364703 [1,0,0,0,0,1|0,0,2]=4 410 B12R1.21 CC1=CC=C(C=C1)SCC(=O)O S755710 [0,0,0,0,0,2|2,0,0]=4 411 B12R1.21 NC1=CC=C(C=C1)/C=C/C(=O)O CDS000175 [0,0,0,0,0,2|2,0,0]=4 412 B12R1.21 O=C(O)CNC1=CC=C(C=C1)F T109797 [0,0,0,0,0,2|2,0,0]=4