0 B12R2.612 BrC1=CC2=C(C=N1)C(=NN2)Br BLN00060 [0,0,0,0,0,0|2,1,0]=3 1 B12R2.612 BrC1=CC2=C(C=N1)C(=NN2)I BLN00063 [0,0,0,0,0,0|2,1,0]=3 2 B12R2.612 BrC1=CN=C2C(=C1)NN=C2Br BLN00055 [0,0,0,0,0,0|2,1,0]=3 3 B12R2.612 BrC1=CN=C2C(=C1)NN=C2I BLN00057 [0,0,0,0,0,0|2,1,0]=3 4 B12R2.612 BrC1=CN=C2C(=CNC2=C1)I ADE000951 [0,0,0,0,0,0|3,1,0]=4 5 B12R2.612 CC1=NNC2=C1C=CC(=C2)I PHB00239 [0,0,0,0,0,0|1,1,0]=2 6 B12R2.612 CC1=NOC2=CC(=CC=C12)Br CDS003558 [0,0,0,0,0,0|2,1,0]=3 7 B12R2.612 CN1N=NC2=C1C=CC(=C2)N CBR01799 [0,0,0,0,0,0|3,0,1]=4 8 B12R2.612 ClC1=CN=C2C(=C1)NN=C2Br BLN00023 [0,0,0,0,0,0|2,0,0]=2 9 B12R2.612 ClC1=NC=C2C(=C1)NN=C2I BLN00030 [0,0,0,0,0,0|2,0,0]=2 10 B12R2.612 NC1=CC2=C(C=C1)C(=O)OC2 CDS002180 [0,0,0,0,0,0|3,0,1]=4 11 B12R2.612 NC1=NNC2=CC(=CN=C12)Br ADE000066 [0,0,0,0,0,0|2,1,0]=3 12 B12R2.612 NC1=NOC2=CC(=CC=C12)Br CDS008140 [0,0,0,0,0,0|2,1,0]=3 13 B12R2.612 O=C1CCC2=C1C=CC(=C2)S T285463 [0,0,0,0,0,0|3,0,1]=4 14 B12R2.612 O=C1NCC2=CC(=CC=C12)Br CDS009180 [0,0,0,0,0,0|1,1,2]=4 15 B12R2.612 OC1=NNC2=C1C=CC(=C2)Br CDS022567 [0,0,0,0,0,0|0,1,0]=1 16 B12R2.612 OC1=NOC2=C1C=CC(=C2)Cl CDS017027 [0,0,0,0,0,0|1,0,0]=1 17 B11R2.1 BrC1=COC2=CC=CC=C12 CDS016824 [1,0,0,0,0,0|3,0,0]=4 18 B11R2.1 BrC1=NNC2=C1C=CC=N2 BLN00006 [1,0,0,0,0,0|2,0,0]=3 19 B11R2.1 BrC1=NNC2=C1C=NC=C2 BLN00011 [1,0,0,0,0,0|2,0,0]=3 20 B11R2.1 BrC1=NNC2=CC=CN=C12 BLN00010 [1,0,0,0,0,0|2,0,0]=3 21 B11R2.1 BrC1=NNC2=CN=CC=C12 BLN00004 [1,0,0,0,0,0|2,0,0]=3 22 B11R2.1 CC1=NNC2=CC=CC=C12 CDS006326 [1,0,0,0,0,0|1,0,0]=2 23 B11R2.1 CC1=NOC2=C1C=CC=C2 T328049 [1,0,0,0,0,0|2,0,0]=3 24 B11R2.1 ClC1=NNC2=C1C=CC=N2 BLN00021 [1,0,0,0,0,0|2,0,0]=3 25 B11R2.1 ClC1=NNC2=C1C=CC=N2 CDS020261 [1,0,0,0,0,0|2,0,0]=3 26 B11R2.1 ClC1=NNC2=C1C=CN=C2 BLN00007 [1,0,0,0,0,0|2,0,0]=3 27 B11R2.1 ClC1=NOC2=C1C=CC=C2 PH002974 [1,0,0,0,0,0|2,0,0]=3 28 B11R2.1 ClC1=NSC2=CC=CC=C12 PH000260 [1,0,0,0,0,0|2,0,0]=3 29 B11R2.1 ClC1=NSC2=CC=CC=C12 PH000929 [1,0,0,0,0,0|2,0,0]=3 30 B11R2.1 NC1=NNC2=C1C=CC=C2 CDS014250 [1,0,0,0,0,0|1,0,0]=2 31 B11R2.1 NC1=NNC2=CC=CN=C12 BLN00041 [1,0,0,0,0,0|2,0,0]=3 32 B11R2.1 NC1=NNC2=CN=CC=C12 BLN00042 [1,0,0,0,0,0|2,0,0]=3 33 B11R2.1 NC1=NOC2=C1C=CC=C2 CDS013958 [1,0,0,0,0,0|2,0,0]=3 34 B11R2.1 NC1=NOC2=C1C=CC=N2 CBR00108 [1,0,0,0,0,0|3,0,0]=4 35 B11R2.1 O=C1NCC2=C1C=CC=C2 CDS020611 [1,0,0,0,0,0|1,0,2]=4 36 B11R2.1 O=C1O[Hg]C2=C1C=CC=C2 S576360 [1,0,0,0,0,0|2,0,1]=4 37 B11R2.1 SC1=CNC2=C1C=CC=C2 CDS014121 [1,0,0,0,0,0|1,1,0]=3 38 B11R2.1 [O-][N+]1=CNC2=C1C=CC=C2 R429619 [1,0,0,0,0,0|2,0,1]=4 39 B11R2.36 BrC1=CC2=C(C=C1)NN=N2 CDS007659 [1,0,0,0,0,0|1,1,1]=4 40 B11R2.36 BrC1=CC2=C(C=NN2)C=N1 BLN00019 [1,0,0,0,0,0|1,1,0]=3 41 B11R2.36 BrC1=CC2=C(C=NN2)N=C1 BLN00048 [1,0,0,0,0,0|1,1,0]=3 42 B11R2.36 BrC1=CN=C2C=CNC2=C1 ADE000947 [1,0,0,0,0,0|2,1,0]=4 43 B11R2.36 BrC1=NC2=C(C=CN2)C=C1 CDS022311 [1,0,0,0,0,0|2,1,0]=4 44 B11R2.36 CC1=CC2=C(C=C1)NN=N2 CDS000420 [1,0,0,0,0,0|2,0,1]=4 45 B11R2.36 CC1=CC=C2C=NNC2=C1 CDS009361 [1,0,0,0,0,0|1,0,0]=2 46 B11R2.36 CC1=CC=C2NN=CC2=C1 CBR00090 [1,0,0,0,0,0|3,0,0]=4 47 B11R2.36 ClC1=CC2=C(C=C1)NCC2 CDS003126 [1,0,0,0,0,0|3,0,0]=4 48 B11R2.36 ClC1=CC2=C(C=NN2)C=N1 BLN00009 [1,0,0,0,0,0|1,0,0]=2 49 B11R2.36 ClC1=CC=C2C=NNC2=C1 CDS006195 [1,0,0,0,0,0|0,0,0]=1 50 B11R2.36 ClC1=CC=C2NN=CC2=C1 CDS006550 [1,0,0,0,0,0|2,0,0]=3 51 B11R2.36 ClC1=CC=C2NN=CC2=N1 BLN00012 [1,0,0,0,0,0|3,0,0]=4 52 B11R2.36 ClC1=CN=C2C=CNC2=C1 ADE000965 [1,0,0,0,0,0|2,0,0]=3 53 B11R2.36 ClC1=CN=C2C=COC2=C1 ADE001142 [1,0,0,0,0,0|3,0,0]=4 54 B11R2.36 ClC1=NC2=C(C=CN2)C=N1 ANV00113 [1,0,0,0,0,0|3,0,0]=4 55 B11R2.36 FC1=CC=C2C=NNC2=C1 CDS006466 [1,0,0,0,0,0|0,1,0]=2 56 B11R2.36 FC1=CC=C2CCNC2=C1 CDS008960 [1,0,0,0,0,0|1,1,1]=4 57 B11R2.36 IC1=CC=C2CCNC2=C1 CDS022471 [1,0,0,0,0,0|1,1,1]=4 58 B11R2.36 IC1=CN=C2C=CNC2=C1 ADE000967 [1,0,0,0,0,0|2,1,0]=4 59 B11R2.36 NC1=CC2=C(C=C1)NN=N2 CDS000711 [1,0,0,0,0,0|2,0,1]=4 60 B11R2.36 NC1=CN=C2C=CNC2=C1 ADE000966 [1,0,0,0,0,0|3,0,0]=4 61 B11R2.36 OC1=CN=C2C=CNC2=C1 ADE000960 [1,0,0,0,0,0|3,0,0]=4 62 B13R2.662 O=CC1=CNC2=C1C=CC(=C2)Cl CDS022285 [0,1,0,0,0,0|1,0,1]=3 63 B13R2.2130 NCC1=CC2=C(C=C1)C(=NO2)N PH017354 [0,1,0,0,0,0|3,0,0]=4 64 B13R2.5187 CN1N=C(C2=CC=C(C=C12)F)N SYX00158 [0,1,0,0,0,0|1,1,0]=3 65 B13R2.5187 O=C1OC(=O)C2=C1C=CC(=C2)Cl PH011762 [0,1,0,0,0,0|2,0,1]=4 66 B13R2.5190 CC1=CC=C2C(=O)C(=O)NC2=C1 CDS020596 [0,1,0,0,0,0|2,0,1]=4 67 B13R2.5190 O=C1NC2=C(C1=O)C=CC(=C2)Br CDS000133 [0,1,0,0,0,0|1,1,1]=4 68 B13R2.5190 O=C1NC2=C(C1=O)C=CC(=C2)I T281182 [0,1,0,0,0,0|1,1,1]=4 69 B13R2.5190 O=C1NC2=CC(=CC=C2C1=O)Cl CDS000344 [0,1,0,0,0,0|1,0,1]=3 70 B13R2.5190 O=C1NC2=CC(=CC=C2C1=O)F PH010436 [0,1,0,0,0,0|1,1,1]=4 71 B13R2.11642 CC1=NOC2=C1C(=NC(=C2)Cl)Cl PH016019 [0,1,0,0,0,0|3,0,0]=4 72 B13R2.11642 N1N=C(C2=C1C=C(N=C2O)O)N S511129 [0,1,0,0,0,0|3,0,0]=4 73 B11R1.22 C/C(=N/O)/C1=CC=C(C=C1)Br PH008404 [0,0,1,0,0,0|2,1,0]=4 74 B11R1.22 C/C(=N\O)/C1=CC=C(C=C1)N PH010926 [0,0,1,0,0,0|3,0,0]=4 75 B11R1.22 C/C(=N\O)/C1=CC=C(C=C1)O PH004057 [0,0,1,0,0,0|3,0,0]=4 76 B11R1.22 C=CC(O)C1=CC=C(C=C1)Cl PH007653 [0,0,1,0,0,0|2,0,1]=4 77 B11R1.22 CC1=CC=C(C=C1)/C(=N/N)/C S323020 [0,0,1,0,0,0|2,0,0]=3 78 B11R1.22 CC1=CC=C(C=C1)/C(=N\O)/C S682802 [0,0,1,0,0,0|3,0,0]=4 79 B11R1.22 CCC(O)C1=CC=C(C=C1)Cl S434884 [0,0,1,0,0,0|2,0,1]=4 80 B11R1.22 CC[C@@H](O)C1=CC=C(C=C1)Cl PH018690 [0,0,1,0,0,0|2,0,1]=4 81 B11R1.22 CC[C@H](O)C1=CC=C(C=C1)Cl PH018691 [0,0,1,0,0,0|2,0,1]=4 82 B11R1.22 N/C(=N/O)/C1=CC=C(C=C1)Cl S681636 [0,0,1,0,0,0|2,0,0]=3 83 B11R1.22 NCC(=O)C1=CC=C(C=C1)Cl S138916 [0,0,1,0,0,0|1,0,1]=3 84 B11R1.22 NCC(=O)C1=CC=C(C=C1)F CDS003453 [0,0,1,0,0,0|1,1,1]=4 85 B11R1.22 O/N=C(/Cl)\C1=CC=C(C=C1)Br PH008811 [0,0,1,0,0,0|2,1,0]=4 86 B11R1.22 O/N=C(/Cl)\C1=CC=C(C=C1)Cl S52877 [0,0,1,0,0,0|2,0,0]=3 87 B11R1.22 O/N=C(/Cl)\C1=CC=C(C=C1)Cl S759082 [0,0,1,0,0,0|2,0,0]=3 88 B11R1.22 O/N=C(/Cl)\C1=CC=C(C=C1)F PH014766 [0,0,1,0,0,0|2,1,0]=4 89 B11R1.22 O/N=C(/O)\C1=CC=C(C=C1)O S566594 [0,0,1,0,0,0|2,0,0]=3 90 B11R1.22 O/N=C(\Cl)/C1=CC=C(C=C1)Br PH010308 [0,0,1,0,0,0|2,1,0]=4 91 B11R1.24 OCCCC1=CC=CC(=C1)Cl PH002730 [0,0,1,0,0,0|2,0,1]=4 92 B11R1.37 COC1=CC=C(C=C1NN)Cl CBR00784 [0,0,1,0,0,0|2,0,1]=4 93 B11R1.166 CC(O)C1=CC=C(C=C1Cl)Cl R161403 [0,0,1,0,0,0|2,0,1]=4 94 B11R1.166 CC(O)C1=CC=C(C=C1Cl)Cl S463965 [0,0,1,0,0,0|2,0,1]=4 95 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)F CDS003230 [0,0,1,0,0,0|3,0,0]=4 96 B11R1.166 NC(=O)C1=CC=C(C=C1N)Br BBO000418 [0,0,1,0,0,0|0,1,2]=4 97 B11R1.166 NC(=O)C1=CC=C(C=C1N)Cl BBO000415 [0,0,1,0,0,0|0,0,2]=3 98 B11R1.166 NC(=S)C1=CC=C(C=C1N)Cl BOG00232 [0,0,1,0,0,0|0,1,1]=3 99 B11R1.166 NC1=CC(=C(C=C1)C(=O)O)N CDS000040 [0,0,1,0,0,0|2,0,0]=3 100 B11R1.166 NC1=CC(=CN=C1C(=O)O)Br ADE000138 [0,0,1,0,0,0|2,1,0]=4 101 B11R1.166 O=C(O)C1=C(C=C(C=C1)O)Cl TMT00164 [0,0,1,0,0,0|3,0,0]=4 102 B11R1.166 O=C(O)C1=CC=C(C=C1F)O CDS002815 [0,0,1,0,0,0|3,0,0]=4 103 B11R1.166 O=C(O)C1=CC=C(C=C1O)S PH007026 [0,0,1,0,0,0|3,0,0]=4 104 B11R1.166 OB(O)C1=CC=C(C=C1F)Cl BML00162 [0,0,1,0,0,0|3,0,0]=4 105 B13R2.3683 CC1=CC2=C(C=C1)NC(=CO2)O PH001606 [0,0,0,0,0,1|3,0,0]=4 106 B13R2.3683 ClC1=CC=C2C=C(C=CC2=C1)Cl R415464 [0,0,0,0,0,1|3,0,0]=4 107 B13R2.3683 ClC1=NC2=CC=C(C=C2C=N1)Br CDS021044 [0,0,0,0,0,1|2,1,0]=4 108 B13R2.3683 NC1=CC2=CC=C(C=C2C=C1)O PH007390 [0,0,0,0,0,1|3,0,0]=4 109 B13R2.3683 O=C1C=CC2=C(O1)C=CC(=C2)Cl PH007228 [0,0,0,0,0,1|2,0,1]=4 110 B13R2.3683 O=C1CCC2=CC(=CC=C2S1)Cl IDF00017 [0,0,0,0,0,1|2,0,1]=4 111 B13R2.3683 OC1=NC2=CC=C(C=C2C=C1)Br BBO000085 [0,0,0,0,0,1|2,1,0]=4 112 B13R2.5179 CC1=CC=C2C(=C1)N=CN=C2Cl CDS021109 [0,0,0,0,0,1|2,0,1]=4 113 B13R2.5179 CC1=CC=C2C(=CC=NC2=C1)O BBO000221 [0,0,0,0,0,1|2,0,1]=4 114 B13R2.5179 ClC1=CC2=C(C=C1)C(=CC=N2)Cl R426881 [0,0,0,0,0,1|2,0,1]=4 115 B13R2.5179 ClC1=CC2=C(C=C1)C(=NC=N2)Cl S671487 [0,0,0,0,0,1|1,0,1]=3 116 B13R2.5179 NC1=CC2=C(C=C1)C(=CC=C2)O CDS000002 [0,0,0,0,0,1|3,0,0]=4 117 B13R2.5179 NC1=CC=NC2=CC(=CC=C12)Cl BBO000159 [0,0,0,0,0,1|2,0,1]=4 118 B13R2.5179 O=C1C=COC2=CC(=CC=C12)Cl JRD1023 [0,0,0,0,0,1|2,0,1]=4 119 B13R2.5179 O=C1CCCC2=CC(=CC=C12)Cl JRD0960 [0,0,0,0,0,1|2,0,1]=4 120 B13R2.5179 OC1=CC=NC2=CC(=CC=C12)Br BBO000232 [0,0,0,0,0,1|1,1,1]=4 121 B13R2.5179 OC1=CC=NC2=CC(=CC=C12)F BBO000050 [0,0,0,0,0,1|1,1,1]=4 122 B13R2.5179 OC1=NC=NC2=CC(=CN=C12)Br ADE000060 [0,0,0,0,0,1|1,1,1]=4 123 B10R1.1 CC1=CC=C(C=C1)/C=N/O S907154 [1,0,1,0,0,0|2,0,0]=4 124 B10R1.1 ClC1=CC=C(C=C1)/C=C/Br CDS004058 [1,0,1,0,0,0|2,0,0]=4 125 B10R1.1 O/N=C/C1=CC=C(C=C1)I S907146 [1,0,1,0,0,0|1,1,0]=4 126 B10R1.1 O/N=C/C1=CC=C(C=C1)O PH010937 [1,0,1,0,0,0|2,0,0]=4 127 B10R1.1 ON=CC1=CC=C(C=C1)Cl S520594 [1,0,1,0,0,0|1,0,0]=3 128 B10R1.13 CC1=CC=C(C=C1)C(=N)N CDS004524 [1,0,1,0,0,0|2,0,0]=4 129 B10R1.13 N=C(N)C1=CC=C(C=C1)Cl CDS003585 [1,0,1,0,0,0|1,0,0]=3 130 B10R1.13 N=C(N)C1=CC=C(C=C1)F CDS004472 [1,0,1,0,0,0|1,1,0]=4 131 B10R1.13 N=C(N)C1=CC=C(C=C1)O L496618 [1,0,1,0,0,0|2,0,0]=4 132 B10R1.13 N=C(N)C1=CC=C(C=C1)O PH016728 [1,0,1,0,0,0|2,0,0]=4 133 B10R1.13 N=C(N)C1=CC=C(C=C1)O S761559 [1,0,1,0,0,0|2,0,0]=4 134 B10R1.13 NC(=S)C1=CC=C(C=C1)O CDS003997 [1,0,1,0,0,0|1,1,0]=4 135 B10R1.13 NC1=CC=C(C=C1)C(=O)O S820083 [1,0,1,0,0,0|2,0,0]=4 136 B10R1.13 O=C(O)C1=CC=C(C=N1)Cl CDS003151 [1,0,1,0,0,0|2,0,0]=4 137 B10R1.15 N/C(=N\O)/C1=CC=CC=C1 CDS001188 [1,0,1,0,0,0|2,0,0]=4 138 B10R1.15 NNC(=O)C1=CC=CC=C1 S463663 [1,0,1,0,0,0|0,0,2]=4 139 B10R1.10 C(=O)NC1=CC(=CC=C1)C S350052 [1,0,1,0,0,0|1,0,1]=4 140 B10R1.10 NC1=CC(=CC=C1)C=NO PH009193 [1,0,1,0,0,0|2,0,0]=4 141 B10R1.10 O/N=C/C1=CC=CC(=C1)I S907049 [1,0,1,0,0,0|1,1,0]=4 142 B10R1.10 O/N=C\C1=CC(=CC=C1)Cl L169935 [1,0,1,0,0,0|1,0,0]=3 143 B10R1.10 O=CCC1=CC(=CC=C1)Cl CDS007911 [1,0,1,0,0,0|1,0,1]=4 144 B10R1.10 O=CNC1=CC=CC(=C1)Cl PH000062 [1,0,1,0,0,0|0,0,1]=3 145 B10R1.10 ON=CC1=CC=CC(=C1)F S550558 [1,0,1,0,0,0|1,1,0]=4 146 B10R1.17 C(=O)NNC1=CC=CC=C1 S984272 [1,0,1,0,0,0|0,0,2]=4 147 B10R1.25 COC1=CC=C(C=C1N)Cl S392308 [1,0,1,0,0,0|2,0,0]=4 148 B10R1.25 O=CC1=C(C=C(C=C1)Cl)F CDS006860 [1,0,1,0,0,0|1,0,1]=4 149 B10R1.30 CC1=CC=C(C=C1NN)Cl S513245 [1,0,1,0,0,0|0,0,2]=4 150 B10R1.30 CCC1=CC(=CC=C1O)Cl JRD0412 [1,0,1,0,0,0|2,0,0]=4 151 B10R1.30 CNC1=CC(=CC=C1Cl)Cl PH010253 [1,0,1,0,0,0|2,0,0]=4 152 B10R1.30 OCC1=CC(=CC=C1O)Cl S548480 [1,0,1,0,0,0|2,0,0]=4 153 B10R1.61 CC1=CC=CC=C1C(=N)N CDS008540 [1,0,1,0,0,0|2,0,0]=4 154 B10R1.61 N=C(N)C1=CC=CC=C1Cl PH000434 [1,0,1,0,0,0|2,0,0]=4 155 B10R1.61 N=C(N)C1=CC=CC=C1F PH010594 [1,0,1,0,0,0|2,0,0]=4 156 B10R1.61 NC1=CC=CN=C1C(=O)O CDS003125 [1,0,1,0,0,0|2,0,0]=4 157 B10R1.61 O=C(O)C1=CC=CC=C1O R156981 [1,0,1,0,0,0|2,0,0]=4 158 B10R1.61 O=C(O)C1=CC=CC=C1O S693014 [1,0,1,0,0,0|2,0,0]=4 159 B10R2.7 C1=CC2=C(C=C1)SCN2 S659142 [2,0,0,0,0,0|2,0,0]=4 160 B10R2.7 C1=CC2=C(C=CN2)C=N1 PH010447 [2,0,0,0,0,0|2,0,0]=4 161 B10R2.7 C1=CC2=C(C=N1)C=NN2 BLN00013 [2,0,0,0,0,0|1,0,0]=3 162 B10R2.7 C1=CC2=C(C=N1)NC=C2 CDS007514 [2,0,0,0,0,0|2,0,0]=4 163 B10R2.7 C1=CC2=C(C=N1)NN=C2 BLN00001 [2,0,0,0,0,0|1,0,0]=3 164 B10R2.7 C1=CN=C2C=CNC2=C1 ADE000968 [2,0,0,0,0,0|2,0,0]=4 165 B10R2.7 C1=CN=C2C=NNC2=C1 BLN00003 [2,0,0,0,0,0|1,0,0]=3 166 B12R1.12 CC/C(=N\O)/C1=CC=C(C=C1)Cl PH007820 [0,1,1,0,0,0|2,0,0]=4 167 B12R1.367 CC1=C(C=C(C=C1)/C(=N/N)/O)I JRD1340 [0,1,1,0,0,0|1,0,0]=3 168 B12R1.367 NNC(=O)C1=CC=C(C(=C1)Cl)Cl PH005173 [0,1,1,0,0,0|0,0,2]=4 169 B12R1.1703 NNC(=O)C1=CC=C(C=C1Cl)Cl S550434 [0,1,1,0,0,0|0,0,2]=4 170 B12R1.50 O=C(NO)NC1=CC(=CC=C1)Cl R631787 [0,1,1,0,0,0|2,0,0]=4 171 B12R1.50 O=C(NO)NC1=CC(=CC=C1)Cl S652261 [0,1,1,0,0,0|2,0,0]=4 172 B12R1.226 CC(=O)NNC1=CC=CC(=C1)Cl PH007201 [0,1,1,0,0,0|0,0,2]=4 173 B12R1.226 O=C(O)CNC1=CC(=CC=C1)Cl L449121 [0,1,1,0,0,0|1,0,0]=3 174 B12R1.57 NNC1=C(C=CC(=C1)Cl)C(=O)O PH001526 [0,1,1,0,0,0|0,0,1]=3 175 B12R1.893 CC1=C(C=CC(=C1N)C(=O)O)Cl T276375 [0,1,1,0,0,0|1,0,0]=3 176 B12R1.893 O=C(O)C1=CC=C(C(=C1Cl)F)Cl MNO000056 [0,1,1,0,0,0|2,0,0]=4 177 B12R1.1000 NC1=CC(=CC(=C1C(=O)O)Cl)Cl CDS017594 [0,1,1,0,0,0|1,0,0]=3 178 B12R2.1 BrCC1=NOC2=CC=CC=C12 CDS008319 [1,1,0,0,0,0|2,0,0]=4 179 B12R2.1 NCC1=CNC2=C1C=CC=C2 CDS020852 [1,1,0,0,0,0|2,0,0]=4 180 B12R2.1 NCC1=NNC2=CC=CC=C12 CDS009727 [1,1,0,0,0,0|1,0,0]=3 181 B12R2.1 NCC1=NNC2=CC=CC=C12 CDS022347 [1,1,0,0,0,0|1,0,0]=3 182 B12R2.1 OCC1=CSC2=C1C=CC=C2 PH014781 [1,1,0,0,0,0|2,0,0]=4 183 B12R2.18 O=C1NC2=C(C1O)C=CC=C2 PH010628 [1,1,0,0,0,0|1,0,1]=4 184 B12R2.132 BrC1=CC2=C(C=N1)NN=C2Br BLN00065 [1,1,0,0,0,0|2,0,0]=4 185 B12R2.132 BrC1=CC2=C(C=N1)NN=C2I BLN00068 [1,1,0,0,0,0|2,0,0]=4 186 B12R2.132 BrC1=CC=C2NN=C(C2=N1)I BLN00058 [1,1,0,0,0,0|2,0,0]=4 187 B12R2.132 BrC1=CN=C2NN=C(C2=C1)Br BLN00070 [1,1,0,0,0,0|2,0,0]=4 188 B12R2.132 BrC1=CN=C2NN=C(C2=C1)I ADE000065 [1,1,0,0,0,0|2,0,0]=4 189 B12R2.132 BrC1=NNC2=NC=C(C=C12)I ADE000071 [1,1,0,0,0,0|2,0,0]=4 190 B12R2.132 CC1=CNC2=C1C=C(C=C2)Cl PHB00308 [1,1,0,0,0,0|2,0,0]=4 191 B12R2.132 CC1=NOC2=CC=C(C=C12)Br CDS009348 [1,1,0,0,0,0|2,0,0]=4 192 B12R2.132 ClC1=CC2=C(C=N1)NN=C2Br BLN00031 [1,1,0,0,0,0|2,0,0]=4 193 B12R2.132 ClC1=CC2=C(C=N1)NN=C2I BLN00034 [1,1,0,0,0,0|2,0,0]=4 194 B12R2.132 ClC1=CC2=C(N=C1)NN=C2Br BLN00036 [1,1,0,0,0,0|2,0,0]=4 195 B12R2.132 ClC1=CC=C2NN=C(C2=N1)Br BLN00024 [1,1,0,0,0,0|2,0,0]=4 196 B12R2.132 ClC1=CN=C2NN=C(C2=C1)I BLN00052 [1,1,0,0,0,0|2,0,0]=4 197 B12R2.132 NC1=NNC2=NC=C(C=C12)Br BLN00005 [1,1,0,0,0,0|2,0,0]=4 198 B12R2.132 OC1=NNC2=C1C=C(C=C2)Br CDS022568 [1,1,0,0,0,0|0,0,0]=2 199 B12R2.196 BrC1=CN=CC2=C1NN=C2Br BLN00059 [1,1,0,0,0,0|2,0,0]=4 200 B12R2.196 BrC1=CN=CC2=C1NN=C2I BLN00062 [1,1,0,0,0,0|2,0,0]=4 201 B12R2.196 BrC1=NNC2=C1C=CN=C2Br T143812 [1,1,0,0,0,0|2,0,0]=4 202 B12R2.196 CC1=CNC2=C(C=CC=C12)Br T117943 [1,1,0,0,0,0|2,0,0]=4 203 B12R2.196 ClC1=C2NN=C(C2=CC=N1)I BLN00033 [1,1,0,0,0,0|2,0,0]=4 204 B12R2.196 ClC1=CN=CC2=C1NN=C2Br BLN00026 [1,1,0,0,0,0|2,0,0]=4 205 B12R2.196 ClC1=CN=CC2=C1NN=C2I BLN00029 [1,1,0,0,0,0|2,0,0]=4 206 B12R2.196 ClC1=NC=CC2=C1NN=C2Br T143928 [1,1,0,0,0,0|2,0,0]=4 207 B12R2.196 FC1=C2NN=C(C2=CC=C1)Br CDS023948 [1,1,0,0,0,0|1,0,0]=3 208 B12R2.196 NC1=NNC2=C(C=CC=C12)Br CDS023799 [1,1,0,0,0,0|1,0,0]=3 209 B12R2.196 NC1=NOC2=C(C=CC=C12)F CDS023613 [1,1,0,0,0,0|2,0,0]=4 210 B12R2.196 O=C1NC=CC2=C1NN=C2Br T144045 [1,1,0,0,0,0|2,0,0]=4 211 B12R2.203 BrC1=NC=CC2=C1C(=NN2)Br BLN00061 [1,1,0,0,0,0|2,0,0]=4 212 B12R2.203 BrC1=NC=CC2=C1C(=NN2)I BLN00064 [1,1,0,0,0,0|2,0,0]=4 213 B12R2.203 ClC1=NC=CC2=C1C(=NN2)Br BLN00028 [1,1,0,0,0,0|2,0,0]=4 214 B12R2.203 ClC1=NC=CC2=C1C(=NN2)I BLN00018 [1,1,0,0,0,0|2,0,0]=4 215 B12R2.203 OC1=NOC2=C1C(=CC=C2)F CDS021320 [1,1,0,0,0,0|1,0,0]=3 216 B12R2.2028 CC1=CN(C2=C1C=CC=C2)C S705845 [1,1,0,0,0,0|2,0,0]=4 217 B12R2.2028 CN1N=C(C2=C1N=CC=C2)N CDS013841 [1,1,0,0,0,0|2,0,0]=4 218 B12R2.44 BrCC1=CC=C2C=NNC2=C1 CVT00142 [1,1,0,0,0,0|0,1,0]=3 219 B12R2.44 NCC1=CC2=C(C=CN2)C=C1 CDS006666 [1,1,0,0,0,0|2,0,0]=4 220 B12R2.44 OCC1=CC=C2C=NNC2=C1 PHB00052 [1,1,0,0,0,0|1,0,0]=3 221 B12R2.100 BrC1=C(C=C2NN=NC2=C1)Br R229741 [1,1,0,0,0,0|1,1,0]=4 222 B12R2.100 CC1=C(C=C2C=NNC2=C1)Br SYX00191 [1,1,0,0,0,0|1,0,0]=3 223 B12R2.100 ClC1=C(C=C2NC=NC2=C1)Cl ANV00150 [1,1,0,0,0,0|2,0,0]=4 224 B12R2.100 ClC1=CC2=C(C=C1Cl)SN=N2 S945153 [1,1,0,0,0,0|1,0,1]=4 225 B12R2.100 NC1=CC2=C(C=C1N)NN=C2 CDS020200 [1,1,0,0,0,0|1,0,0]=3 226 B12R2.100 OC1=CC2=C(C=C1O)NC=C2 CDS021567 [1,1,0,0,0,0|2,0,0]=4 227 B12R2.246 CC1=CC(=CC2=C1C=NN2)Br CDS022566 [1,1,0,0,0,0|0,1,0]=3 228 B12R2.246 CC1=CC(=CC2=C1N=CN2)Cl L480681 [1,1,0,0,0,0|2,0,0]=4 229 B12R2.246 ClC1=CC2=C(C=NN2)C(=C1)I PHB00098 [1,1,0,0,0,0|0,0,0]=2 230 B12R2.246 FC1=C2C=NNC2=CC(=C1)Br SYX00189 [1,1,0,0,0,0|0,1,0]=3 231 B12R2.606 CC1=CC2=CC=C(C=C2N1)Cl CDS022887 [1,1,0,0,0,0|1,0,0]=3 232 B12R2.606 CC1=CC2=CC=C(N=C2N1)Cl CVT00123 [1,1,0,0,0,0|2,0,0]=4 233 B12R2.606 OC1=NC2=C(N1)C=C(C=C2)Cl S802360 [1,1,0,0,0,0|2,0,0]=4 234 B14R2.8239 O=C1NC2=C(C=C(C=C2)Cl)NC1=O PH003527 [0,1,0,0,0,1|1,0,1]=4 235 B14R2.8038 CC1=C(C=CC2=C(C=CN=C12)O)Cl BBO000715 [0,1,0,0,0,1|1,0,1]=4 236 B14R2.29365 CC1=NC2=CC(=CC=C2C(=C1)O)Cl BBO000069 [0,1,0,0,0,1|1,0,1]=4 237 B14R2.29365 O=C1C=C(C2=C(O1)C=C(C=C2)Cl)O PH004653 [0,1,0,0,0,1|2,0,0]=4 238 B14R2.29365 O=C1NC(=O)C2=CC=C(C=C2N1)Cl T309141 [0,1,0,0,0,1|0,0,2]=4 239 B14R2.5719 CC1=NNC2=CC(=CC=C12)C(=O)O PH018507 [0,2,0,0,0,0|2,0,0]=4 240 B14R2.5719 O=[N+]([O-])C1=CC=C2C(=C1)NN=C2I SYX00220 [0,2,0,0,0,0|2,0,0]=4 241 B14R2.645 O=C1NC2=C(C1=O)C=C(C(=C2)Cl)F PH000435 [0,2,0,0,0,0|1,0,1]=4 242 B14R2.27750 O=C1NC2=C(C1=O)C(=CC(=C2)Cl)Cl PH011218 [0,2,0,0,0,0|1,0,1]=4 243 B12R2.24 ClC1=CC2=C(C=CN=C2)C=C1 S850225 [0,0,1,1,0,0|2,0,0]=4 244 B12R2.24 ClC1=CC=C2OCCNC2=C1 CDS016427 [0,0,1,1,0,0|1,0,1]=4 245 B12R2.24 ClC1=CC=C2OCCNC2=C1 VBP00272 [0,0,1,1,0,0|1,0,1]=4 246 B10R2.320 O=C1CC2=C1C=CC=C2 T205540 [1,0,0,0,1,0|1,0,1]=4