0 B10R1.20 BrCC1=C(C=CC=C1)C#N AC500261 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.20 C#CC1=CC=CC=C1C=O LN01316618 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.20 C1=CC=C(CO)C(=C1)CO LN01372805 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.20 CNC1=CC=CC=C1NC AC050961 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.20 COC1=C(C=O)C=CC=C1 AC500195 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.20 COC1=C(C=O)C=NC=C1 AC190044 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.20 COC1=CC=CC=C1C#N AC510922 [0,0,0,0,0,0|2,0,0]=2 7 B10R1.20 COC1=CC=CC=C1NN AC180402 [0,0,0,0,0,0|2,0,0]=2 8 B10R1.20 COC1=NC=CC=C1C#N LN00005668 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.20 COC1=NC=CC=C1C=O AC190310 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.20 COC1=NC=CC=C1CCl LN00003497 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.20 NCC1=C(C=CC=C1)C#N AC182058 [0,0,0,0,0,0|4,0,0]=4 12 B10R1.20 NCC1=CC=CC=C1CO AC182374 [0,0,0,0,0,0|4,0,0]=4 13 B10R1.20 O=CC1=C(C=CC=C1)C#N AC190314 [0,0,0,0,0,0|4,0,0]=4 14 B9R1.15 BrC1=C(C=O)C=CC=C1 AC190053 [1,0,0,0,0,0|3,0,0]=4 15 B9R1.15 BrC1=CC=CC=C1C#N AC500253 [1,0,0,0,0,0|3,0,0]=4 16 B9R1.15 BrCC1=C(Br)C=CC=C1 AC500309 [1,0,0,0,0,0|3,0,0]=4 17 B9R1.15 BrCC1=C(I)C=CC=C1 AC510755 [1,0,0,0,0,0|3,0,0]=4 18 B9R1.15 C1=CC(=C(C=O)N=C1)O LN00121425 [1,0,0,0,0,0|3,0,0]=4 19 B9R1.15 C1=CC=C(C(=C1)CO)Br LN00009848 [1,0,0,0,0,0|3,0,0]=4 20 B9R1.15 CC1=C(C=NC=C1)C#N AC180944 [1,0,0,0,0,0|3,0,0]=4 21 B9R1.15 CC1=CC=CC=C1C=O AC511038 [1,0,0,0,0,0|2,0,0]=3 22 B9R1.15 CC1=CC=CC=C1CN AC190306 [1,0,0,0,0,0|2,0,0]=3 23 B9R1.15 CC1=CC=CN=C1C=O AC181444 [1,0,0,0,0,0|3,0,0]=4 24 B9R1.15 CC1=CN=CC=C1C#N LN00006160 [1,0,0,0,0,0|3,0,0]=4 25 B9R1.15 CC1=NC=CC=C1CO LN00004952 [1,0,0,0,0,0|3,0,0]=4 26 B9R1.15 CCC1=CC=CC=C1Br AC500247 [1,0,0,0,0,0|2,0,0]=3 27 B9R1.15 CCC1=NC=CC=C1O LN00004884 [1,0,0,0,0,0|2,0,0]=3 28 B9R1.15 CNC1=C(O)C=CC=C1 AC512071 [1,0,0,0,0,0|1,0,0]=2 29 B9R1.15 CNC1=CC=CC=C1N AC511708 [1,0,0,0,0,0|2,0,0]=3 30 B9R1.15 CNC1=CC=CC=C1N LN01309502 [1,0,0,0,0,0|2,0,0]=3 31 B9R1.15 COC1=C(Br)C=CC=C1 AC510848 [1,0,0,0,0,0|1,0,0]=2 32 B9R1.15 COC1=C(Br)C=NC=C1 AC210036 [1,0,0,0,0,0|2,0,0]=3 33 B9R1.15 COC1=C(I)C=CC=C1 AC510814 [1,0,0,0,0,0|1,0,0]=2 34 B9R1.15 COC1=C(N)C=NC=C1 AC030137 [1,0,0,0,0,0|2,0,0]=3 35 B9R1.15 COC1=CC=CC=C1O AC190186 [1,0,0,0,0,0|0,0,0]=1 36 B9R1.15 COC1=CC=CN=C1Br AC500269 [1,0,0,0,0,0|2,0,0]=3 37 B9R1.15 COC1=CC=CN=C1Cl AC181653 [1,0,0,0,0,0|2,0,0]=3 38 B9R1.15 COC1=CC=CN=C1N AC511905 [1,0,0,0,0,0|2,0,0]=3 39 B9R1.15 COC1=CC=NC=C1Cl LN01322749 [1,0,0,0,0,0|2,0,0]=3 40 B9R1.15 COC1=CN=CN=C1N AC511956 [1,0,0,0,0,0|3,0,0]=4 41 B9R1.15 COC1=NC=CC=C1Br AC181597 [1,0,0,0,0,0|2,0,0]=3 42 B9R1.15 COC1=NC=CC=C1Cl AC181590 [1,0,0,0,0,0|2,0,0]=3 43 B9R1.15 COC1=NC=CC=C1I AC181562 [1,0,0,0,0,0|2,0,0]=3 44 B9R1.15 COC1=NC=CN=C1Cl AC512133 [1,0,0,0,0,0|3,0,0]=4 45 B9R1.15 COC1=NC=NC=C1Br AC511947 [1,0,0,0,0,0|3,0,0]=4 46 B9R1.15 COC1=NC=NC=C1Cl AC070067 [1,0,0,0,0,0|3,0,0]=4 47 B9R1.15 ClC1=C(C=CC=C1)C#C AC180982 [1,0,0,0,0,0|2,0,1]=4 48 B9R1.15 ClC1=CC=CC=C1C=O AC190062 [1,0,0,0,0,0|3,0,0]=4 49 B9R1.15 ClC1=CC=CC=C1CBr AC180009 [1,0,0,0,0,0|3,0,0]=4 50 B9R1.15 FC1=C(C=CC=C1)C#N AC511685 [1,0,0,0,0,0|3,0,0]=4 51 B9R1.15 FC1=C(CBr)C=CC=C1 AC510775 [1,0,0,0,0,0|3,0,0]=4 52 B9R1.15 FC1=CC=CC=C1C=O AC510338 [1,0,0,0,0,0|3,0,0]=4 53 B9R1.15 NC1=C(C=O)C=CC=C1 AC510813 [1,0,0,0,0,0|3,0,0]=4 54 B9R1.15 NC1=CC=CC=C1CO AC511831 [1,0,0,0,0,0|3,0,0]=4 55 B9R1.15 NCC1=C(Br)C=CC=C1 AC500061 [1,0,0,0,0,0|3,0,0]=4 56 B9R1.15 NCC1=C(F)C=CC=C1 AC190246 [1,0,0,0,0,0|3,0,0]=4 57 B9R1.15 NCC1=CC=CC=C1O AC181137 [1,0,0,0,0,0|2,0,0]=3 58 B9R1.15 NNC1=CC=CC=C1Cl AC180294 [1,0,0,0,0,0|3,0,0]=4 59 B9R1.15 OC1=C(C=CC=C1)C#N AC511758 [1,0,0,0,0,0|2,0,0]=3 60 B9R1.15 OC1=C(C=O)C=CC=C1 AC190207 [1,0,0,0,0,0|2,0,0]=3 61 B9R1.15 OC1=C(C=O)C=CN=C1 AC511223 [1,0,0,0,0,0|3,0,0]=4 62 B9R1.15 OC1=CC=CN=C1C#N AC511818 [1,0,0,0,0,0|3,0,0]=4 63 B9R1.15 OC1=CC=CN=C1C=O AC270030 [1,0,0,0,0,0|3,0,0]=4 64 B9R1.15 OCC1=CC=CC=C1Br AC230033 [1,0,0,0,0,0|3,0,0]=4 65 B9R1.15 OCC1=CC=CC=C1I AC511037 [1,0,0,0,0,0|3,0,0]=4 66 B9R1.15 OCC1=CC=CC=C1O HY-B1419 [1,0,0,0,0,0|2,0,0]=3 67 B11R1.37 COC1=C(C=O)C=C(Br)C=C1 AC021000 [0,1,0,0,0,0|2,0,0]=3 68 B11R1.37 COC1=C(C=O)C=C(Br)C=N1 AC181889 [0,1,0,0,0,0|3,0,0]=4 69 B11R1.37 COC1=C(CCl)C=C(Cl)C=C1 AC010170 [0,1,0,0,0,0|2,0,0]=3 70 B11R1.37 COC1=CC(Br)=CC=C1C#N AC182028 [0,1,0,0,0,0|2,0,0]=3 71 B11R1.37 COC1=CC(Cl)=CC=C1C=O AC512134 [0,1,0,0,0,0|2,0,0]=3 72 B11R1.37 COC1=CC(F)=CC=C1C=O AC511700 [0,1,0,0,0,0|2,0,0]=3 73 B11R1.37 COC1=CC=C(Br)C=C1CO AC021001 [0,1,0,0,0,0|2,0,0]=3 74 B11R1.37 COC1=CC=C(C)C=C1C=O AC021228 [0,1,0,0,0,0|2,0,0]=3 75 B11R1.37 COC1=CC=C(F)C=C1C=O AC511885 [0,1,0,0,0,0|2,0,0]=3 76 B11R1.37 COC1=CC=C(N)C=C1OC AC512111 [0,1,0,0,0,0|0,0,0]=1 77 B11R1.41 COC1=C(C=CC=C1)N=C=O AC190280 [0,1,0,0,0,0|1,0,1]=3 78 B11R1.41 COC1=C(CCN)C=CC=C1 AC020413 [0,1,0,0,0,0|1,0,0]=2 79 B11R1.41 COC1=CC=CC=C1CC=O LN00180481 [0,1,0,0,0,0|1,0,1]=3 80 B11R1.41 COC1=CC=CC=C1CCO AC180052 [0,1,0,0,0,0|1,0,0]=2 81 B11R1.53 CC(=O)C1=CC=CC=C1C#N AC511890 [0,1,0,0,0,0|3,0,0]=4 82 B11R1.53 CCC1=CC=CC=C1C(O)=O AC220178 [0,1,0,0,0,0|3,0,0]=4 83 B11R1.53 COC1=C(C=CC=C1)B(O)O AC180960 [0,1,0,0,0,0|2,0,0]=3 84 B11R1.53 COC1=C(C=CC=N1)B(O)O AC090080 [0,1,0,0,0,0|3,0,0]=4 85 B11R1.53 COC1=C(C=CC=N1)B(O)O LN00139240 [0,1,0,0,0,0|3,0,0]=4 86 B11R1.53 COC1=C(C=CN=C1)C(O)=O AC182097 [0,1,0,0,0,0|3,0,0]=4 87 B11R1.53 COC1=C(C=NC=C1)[N+]([O-])=O AC030145 [0,1,0,0,0,0|3,0,0]=4 88 B11R1.53 COC1=NC=CC=C1C(O)=O AC512049 [0,1,0,0,0,0|3,0,0]=4 89 B11R1.53 CSC1=C(C=CC=C1)B(O)O AC090083 [0,1,0,0,0,0|2,1,0]=4 90 B11R1.265 CNC1=CC=CC(F)=C1C#N AC021573 [0,1,0,0,0,0|3,0,0]=4 91 B11R1.265 COC1=C(C#N)C(=O)NC=C1 AC181156 [0,1,0,0,0,0|3,0,0]=4 92 B11R1.265 COC1=C(C=O)C(F)=CC=C1 AC021704 [0,1,0,0,0,0|2,0,0]=3 93 B11R1.265 COC1=C(C=O)C(O)=CC=C1 AC130254 [0,1,0,0,0,0|2,0,0]=3 94 B11R1.265 COC1=CC=CC(=C1OC)F LN01366078 [0,1,0,0,0,0|0,0,0]=1 95 B11R1.265 COC1=CC=CC(Br)=C1C=O AC080649 [0,1,0,0,0,0|2,0,0]=3 96 B11R1.265 COC1=NC=CC(I)=C1C=O AC181887 [0,1,0,0,0,0|3,0,0]=4 97 B11R2.1 CC1=CNC2=C1C=CC=C2 AC500066 [0,0,0,1,0,0|2,0,1]=4 98 B11R2.1 CN1C=CC2=C1C=CC=C2 AC510426 [0,0,0,1,0,0|2,0,1]=4 99 B11R2.1 NC1CCC2=CC=CC=C12 AC190231 [0,0,0,1,0,0|3,0,0]=4 100 B11R2.1 NC1COC2=NC=CC=C12 AC512024 [0,0,0,1,0,0|3,0,0]=4 101 B11R2.1 O=C1CCC2=C1C=CC=C2 AC220153 [0,0,0,1,0,0|3,0,0]=4 102 B11R2.1 O=C1COC2=C1C=CC=C2 AC130193 [0,0,0,1,0,0|2,0,0]=3 103 B11R2.1 O=C1CSC2=CC=CC=C12 AC182209 [0,0,0,1,0,0|2,1,0]=4 104 B11R2.20 C1CC2=C(C=C1)C=CC=C2 AC220111 [0,0,0,1,0,0|2,0,1]=4 105 B11R2.20 C1CC2=C(CN1)C=CC=C2 AC180179 [0,0,0,1,0,0|3,0,0]=4 106 B11R2.20 C1CC2=C(CO1)C=CC=C2 AC180186 [0,0,0,1,0,0|3,0,0]=4 107 B11R2.20 C1CCC2=C(C1)C=CC=N2 AC180175 [0,0,0,1,0,0|3,0,0]=4 108 B11R2.20 C1CNC2=CC=CC=C2C1 AC180172 [0,0,0,1,0,0|2,0,0]=3 109 B11R2.20 C1COC2=C(N1)C=CC=C2 AC511129 [0,0,0,1,0,0|1,0,0]=2 110 B9R1.14 COC1=CSC=C1OC AC511720 [0,0,0,0,1,0|1,0,0]=2 111 B9R1.14 COC1=CSC=C1OC LN00008254 [0,0,0,0,1,0|1,0,0]=2 112 B8R1.2 CNC1=NC=CC=C1 AC500327 [2,0,0,0,0,0|2,0,0]=4 113 B8R1.2 COC1=CC=NC=C1 AC510883 [2,0,0,0,0,0|1,0,0]=3 114 B8R1.2 OCC1=CC=CC=C1 HY-B0892 [2,0,0,0,0,0|2,0,0]=4 115 B8R1.2 ONC1=CC=CC=C1 AC500156 [2,0,0,0,0,0|2,0,0]=4 116 B8R1.5 BrC1=CC=CC=C1I AC500034 [2,0,0,0,0,0|2,0,0]=4 117 B8R1.5 CC1=C(Br)C=CN=C1 AC181859 [2,0,0,0,0,0|2,0,0]=4 118 B8R1.5 CC1=C(Br)N=CC=C1 AC510729 [2,0,0,0,0,0|2,0,0]=4 119 B8R1.5 CC1=C(N)C=NC=C1 AC180724 [2,0,0,0,0,0|2,0,0]=4 120 B8R1.5 CC1=CC=CC=C1I AC510875 [2,0,0,0,0,0|1,0,0]=3 121 B8R1.5 CC1=CC=CN=C1F AC511615 [2,0,0,0,0,0|2,0,0]=4 122 B8R1.5 CC1=CN=CC=C1N AC181305 [2,0,0,0,0,0|2,0,0]=4 123 B8R1.5 CC1=CN=CC=C1N LN00001726 [2,0,0,0,0,0|2,0,0]=4 124 B8R1.5 CC1=CN=CC=C1O AC181809 [2,0,0,0,0,0|1,0,0]=3 125 B8R1.5 CC1=NC=CC=C1Br AC180855 [2,0,0,0,0,0|2,0,0]=4 126 B8R1.5 CC1=NC=CC=C1Cl AC181796 [2,0,0,0,0,0|2,0,0]=4 127 B8R1.5 CC1=NC=CC=C1O AC180647 [2,0,0,0,0,0|1,0,0]=3 128 B8R1.5 C[N+]1=C(Cl)C=CC=C1 AC130274 [2,0,0,0,0,0|2,0,0]=4 129 B8R1.5 ClC1=CC=CC=C1Br AC190163 [2,0,0,0,0,0|2,0,0]=4 130 B8R1.5 ClC1=CC=CC=C1I AC510876 [2,0,0,0,0,0|2,0,0]=4 131 B8R1.5 FC1=CC=CC=C1I AC190203 [2,0,0,0,0,0|2,0,0]=4 132 B8R1.5 IC1=CC=CC=C1I AC510877 [2,0,0,0,0,0|2,0,0]=4 133 B8R1.5 NC1=C(I)C=CC=C1 AC500016 [2,0,0,0,0,0|2,0,0]=4 134 B8R1.5 NC1=C(O)C=CC=C1 AC190222 [2,0,0,0,0,0|1,0,0]=3 135 B8R1.5 NC1=CC=CC=C1F AC021683 [2,0,0,0,0,0|2,0,0]=4 136 B8R1.5 NC1=CC=CN=C1O AC500058 [2,0,0,0,0,0|2,0,0]=4 137 B8R1.5 NC1=NC=CC=C1O AC511555 [2,0,0,0,0,0|2,0,0]=4 138 B8R1.5 OC1=C(Br)C=CC=C1 AC190217 [2,0,0,0,0,0|1,0,0]=3 139 B8R1.5 OC1=C(Br)C=CN=C1 AC511252 [2,0,0,0,0,0|2,0,0]=4 140 B8R1.5 OC1=C(Br)C=NC=C1 AC181282 [2,0,0,0,0,0|2,0,0]=4 141 B8R1.5 OC1=C(Cl)C=NC=C1 AC181811 [2,0,0,0,0,0|2,0,0]=4 142 B8R1.5 OC1=C(F)N=CC=C1 AC510678 [2,0,0,0,0,0|2,0,0]=4 143 B8R1.5 OC1=C(I)C=CC=C1 AC510212 [2,0,0,0,0,0|1,0,0]=3 144 B8R1.5 OC1=C(I)C=CN=C1 AC182369 [2,0,0,0,0,0|2,0,0]=4 145 B8R1.5 OC1=C(I)N=CC=C1 AC180367 [2,0,0,0,0,0|2,0,0]=4 146 B8R1.5 OC1=CC=CC=C1Cl AC190324 [2,0,0,0,0,0|1,0,0]=3 147 B8R1.5 OC1=CC=CN=C1Br AC130123 [2,0,0,0,0,0|2,0,0]=4 148 B8R1.5 OC1=CC=CN=C1Cl AC190272 [2,0,0,0,0,0|2,0,0]=4 149 B8R1.5 OC1=CC=CN=C1O AC511556 [2,0,0,0,0,0|1,0,0]=3 150 B8R1.5 OC1=COC=CC1=O AC182492 [2,0,0,0,0,0|1,0,1]=4 151 B8R1.5 OC1=NC=CC=C1Br AC181616 [2,0,0,0,0,0|2,0,0]=4 152 B8R1.5 OC1=NC=CC=C1Cl AC181284 [2,0,0,0,0,0|2,0,0]=4 153 B8R1.5 OC1=NC=CC=C1F AC181567 [2,0,0,0,0,0|2,0,0]=4 154 B10R1.2 C1=CC(=C(C(=C1)O)O)C#N LN00166380 [1,1,0,0,0,0|2,0,0]=4 155 B10R1.2 CC1=C(Br)C=CC=C1CO AC200067 [1,1,0,0,0,0|2,0,0]=4 156 B10R1.2 CC1=C(C(=CC=C1)C=O)O LN00226164 [1,1,0,0,0,0|2,0,0]=4 157 B10R1.2 CC1=C(C)C(CBr)=CC=C1 AC511858 [1,1,0,0,0,0|2,0,0]=4 158 B10R1.2 CC1=C(C=CC=C1F)C#N AC511573 [1,1,0,0,0,0|2,0,0]=4 159 B10R1.2 CC1=C(C=CC=C1F)C#N LN00010282 [1,1,0,0,0,0|2,0,0]=4 160 B10R1.2 CC1=C(F)C=CC=C1C=O AC180620 [1,1,0,0,0,0|2,0,0]=4 161 B10R1.2 CC1=C(O)C(C=O)=CC=C1 AC511803 [1,1,0,0,0,0|2,0,0]=4 162 B10R1.2 CC1=C(O)C=CC=C1C=O AC182557 [1,1,0,0,0,0|2,0,0]=4 163 B10R1.2 COC1=C(Br)C(Cl)=NC=C1 AC200077 [1,1,0,0,0,0|2,0,0]=4 164 B10R1.2 COC1=C(Br)C(F)=CC=C1 AC130062 [1,1,0,0,0,0|1,0,0]=3 165 B10R1.2 COC1=C(C)C(C)=CC=C1 AC021515 [1,1,0,0,0,0|0,0,0]=2 166 B10R1.2 COC1=C(Cl)C(N)=CC=C1 AC020504 [1,1,0,0,0,0|1,0,0]=3 167 B10R1.2 COC1=C(F)C(F)=CC=C1 AC181264 [1,1,0,0,0,0|1,0,0]=3 168 B10R1.2 COC1=C(N)C(C)=CC=C1 AC511717 [1,1,0,0,0,0|1,0,0]=3 169 B10R1.2 COC1=CC=CC(Br)=C1C AC182617 [1,1,0,0,0,0|0,0,0]=2 170 B10R1.2 COC1=CC=CC(N)=C1C AC020524 [1,1,0,0,0,0|0,0,0]=2 171 B10R1.2 COC1=CC=CC(N)=C1C AC181971 [1,1,0,0,0,0|0,0,0]=2 172 B10R1.2 COC1=CC=CC(N)=C1Cl AC020005 [1,1,0,0,0,0|1,0,0]=3 173 B10R1.2 OC1=C(C=O)C=CC=C1Br AC500094 [1,1,0,0,0,0|2,0,0]=4 174 B10R1.2 OC1=C(C=O)C=CC=C1F AC511686 [1,1,0,0,0,0|2,0,0]=4 175 B10R1.2 OC1=C(Cl)C=CC=C1C=O AC510684 [1,1,0,0,0,0|2,0,0]=4 176 B10R1.2 OC1=C(O)C(=CC=C1)C#N AC512108 [1,1,0,0,0,0|2,0,0]=4 177 B10R1.4 C1=CC=C(C(=C1)CCO)Br LN00142608 [1,1,0,0,0,0|2,0,0]=4 178 B10R1.4 C1=CC=C(C(=C1)CCO)Cl LN00192290 [1,1,0,0,0,0|2,0,0]=4 179 B10R1.4 CC1=C(CON)C=CC=C1 AC010097 [1,1,0,0,0,0|1,0,0]=3 180 B10R1.4 CC1=CC=CC=C1CC#N AC512146 [1,1,0,0,0,0|1,0,1]=4 181 B10R1.4 CC1=CC=CC=C1CC=O LN00181191 [1,1,0,0,0,0|1,0,1]=4 182 B10R1.4 CC1=CC=CC=C1N=CO LN00241919 [1,1,0,0,0,0|1,0,1]=4 183 B10R1.4 CCOC1=CC=CC=C1N AC190317 [1,1,0,0,0,0|1,0,0]=3 184 B10R1.4 NCCC1=CC=CC=C1N AC070086 [1,1,0,0,0,0|2,0,0]=4 185 B10R1.4 NCCC1=CC=CC=C1O AC050448 [1,1,0,0,0,0|1,0,0]=3 186 B10R1.4 OCCC1=CC=CC=C1Br AC180682 [1,1,0,0,0,0|2,0,0]=4 187 B10R1.25 C1=CC(=CC(=C1C#N)O)O LN00220924 [1,1,0,0,0,0|2,0,0]=4 188 B10R1.25 CC1=C(C=CC(Br)=C1)C#N AC180443 [1,1,0,0,0,0|2,0,0]=4 189 B10R1.25 CC1=C(C=CC(F)=C1)C#N AC181584 [1,1,0,0,0,0|2,0,0]=4 190 B10R1.25 CC1=CC(=CC=C1C#N)Br LN00007820 [1,1,0,0,0,0|2,0,0]=4 191 B10R1.25 CC1=CC(Br)=CC=C1C=O AC510700 [1,1,0,0,0,0|2,0,0]=4 192 B10R1.25 CC1=CC(C)=C(CN)C=C1 AC160616 [1,1,0,0,0,0|2,0,0]=4 193 B10R1.25 CC1=CC(Cl)=CC=C1C=O AC181463 [1,1,0,0,0,0|2,0,0]=4 194 B10R1.25 CC1=CC(F)=CC=C1C=O AC181464 [1,1,0,0,0,0|2,0,0]=4 195 B10R1.25 CC1=CC=C(C=O)C(O)=C1 AC511779 [1,1,0,0,0,0|2,0,0]=4 196 B10R1.25 CC1=CC=C(NN)C(C)=C1 AC160121 [1,1,0,0,0,0|2,0,0]=4 197 B10R1.25 COC1=C(C)C=C(N)C=N1 AC181867 [1,1,0,0,0,0|1,0,0]=3 198 B10R1.25 COC1=C(F)C=C(N)C=C1 AC500320 [1,1,0,0,0,0|1,0,0]=3 199 B10R1.25 COC1=CC=C(Br)C=C1C AC511516 [1,1,0,0,0,0|0,0,0]=2 200 B10R1.25 COC1=CC=C(Br)C=C1F AC180272 [1,1,0,0,0,0|1,0,0]=3 201 B10R1.25 COC1=CC=C(Br)C=C1O AC510743 [1,1,0,0,0,0|0,0,0]=2 202 B10R1.25 COC1=CC=C(F)C=C1Br AC130052 [1,1,0,0,0,0|1,0,0]=3 203 B10R1.25 COC1=CC=C(F)C=C1O AC180763 [1,1,0,0,0,0|0,0,0]=2 204 B10R1.25 COC1=CC=C(N)C=C1Br AC500244 [1,1,0,0,0,0|1,0,0]=3 205 B10R1.25 COC1=NC=C(Br)C=C1Br AC181891 [1,1,0,0,0,0|2,0,0]=4 206 B10R1.25 COC1=NC=C(Br)C=C1C AC020153 [1,1,0,0,0,0|1,0,0]=3 207 B10R1.25 COC1=NC=C(Br)C=C1Cl AC510968 [1,1,0,0,0,0|2,0,0]=4 208 B10R1.25 COC1=NC=C(Br)C=C1F AC070092 [1,1,0,0,0,0|2,0,0]=4 209 B10R1.25 COC1=NC=C(Br)C=C1N AC020839 [1,1,0,0,0,0|2,0,0]=4 210 B10R1.25 COC1=NC=C(Cl)C=C1Br AC070119 [1,1,0,0,0,0|2,0,0]=4 211 B10R1.25 COC1=NC=C(F)C=C1Br AC181865 [1,1,0,0,0,0|2,0,0]=4 212 B10R1.25 OC1=CC(Br)=CC=C1C#N AC500289 [1,1,0,0,0,0|2,0,0]=4 213 B10R1.25 OC1=CC(Br)=CC=C1C=O AC130078 [1,1,0,0,0,0|2,0,0]=4 214 B10R1.25 OC1=CC(Cl)=CC=C1C=O AC510701 [1,1,0,0,0,0|2,0,0]=4 215 B10R1.25 OC1=CC(O)=C(C=O)C=C1 AC511006 [1,1,0,0,0,0|2,0,0]=4 216 B10R1.30 CC1=CC=C(Br)C=C1C#N AC510662 [1,1,0,0,0,0|2,0,0]=4 217 B10R1.30 CC1=CC=C(Br)C=C1CO AC050486 [1,1,0,0,0,0|2,0,0]=4 218 B10R1.30 CCC1=CC(=CC=C1F)Br LN01279639 [1,1,0,0,0,0|2,0,0]=4 219 B10R1.30 CCC1=CC(Br)=CC=C1N AC021532 [1,1,0,0,0,0|2,0,0]=4 220 B10R1.30 CCC1=NC(C)=CC=C1O AC181021 [1,1,0,0,0,0|2,0,0]=4 221 B10R1.30 COC1=C(Br)C=CC(Cl)=C1 AC511561 [1,1,0,0,0,0|1,0,0]=3 222 B10R1.30 COC1=C(Cl)C=CC(N)=C1 AC511495 [1,1,0,0,0,0|1,0,0]=3 223 B10R1.30 COC1=CC(=CC=C1Br)O LN00004696 [1,1,0,0,0,0|1,0,0]=3 224 B10R1.30 COC1=CC(Br)=CC=C1N AC510860 [1,1,0,0,0,0|1,0,0]=3 225 B10R1.30 COC1=CC(Br)=CN=C1Cl AC182231 [1,1,0,0,0,0|2,0,0]=4 226 B10R1.30 COC1=CC(Cl)=NC=C1Br AC200058 [1,1,0,0,0,0|2,0,0]=4 227 B10R1.30 COC1=CC(F)=CC=C1N AC040109 [1,1,0,0,0,0|1,0,0]=3 228 B10R1.30 COC1=CC(N)=CC=C1Br AC500116 [1,1,0,0,0,0|1,0,0]=3 229 B10R1.30 COC1=CC(N)=CC=C1C AC510672 [1,1,0,0,0,0|0,0,0]=2 230 B10R1.30 COC1=CC(N)=CC=C1F AC511952 [1,1,0,0,0,0|1,0,0]=3 231 B10R1.30 COC1=NC(C)=CC=C1N AC181576 [1,1,0,0,0,0|2,0,0]=4 232 B10R1.30 OC1=C(C=O)C=C(Br)C=C1 AC130239 [1,1,0,0,0,0|2,0,0]=4 233 B10R1.30 OC1=C(C=O)C=C(Cl)C=C1 AC510907 [1,1,0,0,0,0|2,0,0]=4 234 B10R1.30 OC1=C(C=O)C=C(F)C=C1 AC131640 [1,1,0,0,0,0|2,0,0]=4 235 B10R1.30 OC1=CC=C(Br)C=C1C#N AC510757 [1,1,0,0,0,0|2,0,0]=4 236 B10R1.61 CC(=O)C1=CC=CC=C1Br AC511597 [1,1,0,0,0,0|2,0,0]=4 237 B10R1.61 CC(=O)C1=CC=CC=C1Cl AC500259 [1,1,0,0,0,0|2,0,0]=4 238 B10R1.61 CC(=O)C1=CC=CC=C1I LN00159959 [1,1,0,0,0,0|2,0,0]=4 239 B10R1.61 CC(=O)C1=CC=CC=C1N AC180212 [1,1,0,0,0,0|2,0,0]=4 240 B10R1.61 CC(=O)C1=CC=CC=C1O AC510427 [1,1,0,0,0,0|1,0,0]=3 241 B10R1.61 CC1=C(C=CC=C1)B(O)O AC130310 [1,1,0,0,0,0|2,0,0]=4 242 B10R1.61 CC1=C(C=CC=C1)C(O)=O AC511474 [1,1,0,0,0,0|2,0,0]=4 243 B10R1.61 CN(C)C1=CC=CC=C1N AC511923 [1,1,0,0,0,0|2,0,0]=4 244 B10R1.61 C[C@@H](O)C1=C(Cl)C=CC=C1 AC020783 [1,1,0,0,0,0|2,0,0]=4 245 B10R1.61 C[C@H](C1=CC=CC=C1Br)N LN02156247 [1,1,0,0,0,0|2,0,0]=4 246 B10R1.61 C[C@H](N)C1=CC=CC=C1F AC181536 [1,1,0,0,0,0|2,0,0]=4 247 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=C1 AC020784 [1,1,0,0,0,0|2,0,0]=4 248 B10R1.61 OB(O)C1=CC=CC=C1O AC181170 [1,1,0,0,0,0|2,0,0]=4 249 B10R1.61 OC(=O)C1=CC=CC=C1O HY-B0167 [1,1,0,0,0,0|2,0,0]=4 250 B10R1.61 OC1=CC=CC=C1C([O-])=O HY-B0167A [1,1,0,0,0,0|2,0,0]=4 251 B10R1.245 C1=CC(=C(C#N)C(=C1)O)F LN00118013 [1,1,0,0,0,0|2,0,0]=4 252 B10R1.245 C1=CC(=C(C=O)C(=C1)O)Cl LN00172491 [1,1,0,0,0,0|2,0,0]=4 253 B10R1.245 C1=CC(=C(C=O)C(=C1)O)F LN00011257 [1,1,0,0,0,0|2,0,0]=4 254 B10R1.245 CC1=C(C#N)C(=CC=C1)F LN00005769 [1,1,0,0,0,0|2,0,0]=4 255 B10R1.245 CC1=CC=CC(C)=C1C#N AC511774 [1,1,0,0,0,0|2,0,0]=4 256 B10R1.245 CC1=CC=CC(C)=C1C=O AC510633 [1,1,0,0,0,0|2,0,0]=4 257 B10R1.245 CC1=CC=CC(C)=C1CBr AC511906 [1,1,0,0,0,0|2,0,0]=4 258 B10R1.245 CC1=CC=CC(C)=C1CN AC511863 [1,1,0,0,0,0|2,0,0]=4 259 B10R1.245 OC1=C(C=O)C(Br)=CC=C1 AC130094 [1,1,0,0,0,0|2,0,0]=4 260 B10R1.245 OC1=C(C=O)C(Cl)=CC=C1 AC511571 [1,1,0,0,0,0|2,0,0]=4 261 B10R1.245 OC1=CC=CC(O)=C1C=O AC130064 [1,1,0,0,0,0|2,0,0]=4 262 B12R1.46 COC1=C(C=C(C=C1)N)[N+](=O)[O-] LN00187723 [0,2,0,0,0,0|2,0,0]=4 263 B12R1.46 COC1=C(C=C(Cl)C=C1)B(O)O AC090239 [0,2,0,0,0,0|2,0,0]=4 264 B12R1.46 COC1=CC=C(Br)C=C1C(O)=O AC511620 [0,2,0,0,0,0|2,0,0]=4 265 B12R1.46 COC1=CC=C(C)C=C1B(O)O AC070132 [0,2,0,0,0,0|2,0,0]=4 266 B12R1.46 COC1=CC=C(N)C=C1[N+]([O-])=O AC180741 [0,2,0,0,0,0|2,0,0]=4 267 B12R1.57 COC1=C(C=CC(Cl)=C1)B(O)O AC190010 [0,2,0,0,0,0|2,0,0]=4 268 B12R1.57 COC1=CC(Br)=CC=C1C(C)=O AC512144 [0,2,0,0,0,0|1,0,0]=3 269 B12R1.57 COC1=CC(F)=CC=C1B(O)O AC181702 [0,2,0,0,0,0|2,0,0]=4 270 B12R1.57 COC1=CC(F)=CC=C1C(O)=O AC181080 [0,2,0,0,0,0|2,0,0]=4 271 B12R1.57 COC1=CC(F)=CC=C1[N+]([O-])=O AC180635 [0,2,0,0,0,0|2,0,0]=4 272 B12R1.57 COC1=CC(N)=CC=C1[N+]([O-])=O AC020868 [0,2,0,0,0,0|2,0,0]=4 273 B12R1.57 COC1=CC(O)=CC=C1[N+]([O-])=O AC160285 [0,2,0,0,0,0|2,0,0]=4 274 B12R1.78 COC1=CC(OC)=C(CN)C=C1 AC180289 [0,2,0,0,0,0|2,0,0]=4 275 B12R1.78 COC1=CC=C(CN)C(OC)=C1 AC510555 [0,2,0,0,0,0|2,0,0]=4 276 B12R1.78 COC1=CC=C(CO)C(OC)=C1 AC510943 [0,2,0,0,0,0|2,0,0]=4 277 B12R1.268 COC1=CC=C(Cl)C=C1CC#N AC010171 [0,2,0,0,0,0|1,0,1]=4 278 B12R1.75 C=CC1=CC=CC=C1OC(C)C LN01306961 [0,2,0,0,0,0|1,0,1]=4 279 B12R1.75 COC1=CC=CC=C1CC(O)=O AC190219 [0,2,0,0,0,0|1,0,1]=4 280 B12R1.75 CSC1=CC=CC=C1NC(C)=O HY-18594 [0,2,0,0,0,0|1,1,0]=4 281 B12R1.75 FC(F)OC1=CC=CC=C1C=O AC131777 [0,2,0,0,0,0|2,0,0]=4 282 B12R1.77 CNC1=CC=CC=C1C(=O)OC AC021164 [0,2,0,0,0,0|1,0,0]=3 283 B12R1.77 COC(=O)C1=C(CBr)C=CC=C1 AC511028 [0,2,0,0,0,0|2,0,0]=4 284 B12R1.77 COC(=O)C1=CC=CC=C1CBr LN00174655 [0,2,0,0,0,0|2,0,0]=4 285 B12R1.77 COC1=C(C=CC=C1)C(=O)NN AC190068 [0,2,0,0,0,0|2,0,0]=4 286 B12R1.121 C=CCOC1=CC=CC=C1C=O LN00136516 [0,2,0,0,0,0|2,0,0]=4 287 B12R1.121 COC1=CC=CC=C1OCCN AC180958 [0,2,0,0,0,0|0,0,0]=2 288 B12R1.283 CCOC1=CC=CC=C1C(N)=O HY-B1428 [0,2,0,0,0,0|2,0,0]=4 289 B12R1.283 COCC1=CC=CC=C1B(O)O AC181628 [0,2,0,0,0,0|2,0,0]=4 290 B12R1.437 COC1=C(C(C)=O)C(O)=CC=C1 AC180230 [0,2,0,0,0,0|1,0,0]=3 291 B12R1.437 COC1=C(C(O)=O)C(C)=CC=C1 AC050034 [0,2,0,0,0,0|2,0,0]=4 292 B12R1.437 COC1=C(C(O)=O)C(N)=CC=C1 AC181382 [0,2,0,0,0,0|2,0,0]=4 293 B12R1.437 COC1=CC=CC(=C1B(O)O)Cl LN00139318 [0,2,0,0,0,0|2,0,0]=4 294 B12R1.437 COC1=CC=CC(F)=C1[N+]([O-])=O AC182103 [0,2,0,0,0,0|2,0,0]=4 295 B12R1.1879 CNC1=C(C#N)C(OC)=CC=C1 AC021574 [0,2,0,0,0,0|2,0,0]=4 296 B12R1.1879 COC1=C(CO)C(=CC=C1)OC LN00186384 [0,2,0,0,0,0|2,0,0]=4 297 B12R1.1879 COC1=CC=CC(OC)=C1C=O AC130338 [0,2,0,0,0,0|2,0,0]=4 298 B10R1.176 COC1=CC(C)=C(Br)C=C1 AC130228 [0,0,1,1,0,0|2,0,0]=4 299 B10R1.176 COC1=CC(C)=C(N)C=C1 AC500162 [0,0,1,1,0,0|2,0,0]=4 300 B10R2.7 C1=CC2=C(N=C1)NCC2 LN00151014 [1,0,0,1,0,0|2,0,0]=4 301 B10R2.7 C1CC2=C(C1)N=CC=C2 AC180116 [1,0,0,1,0,0|2,0,0]=4 302 B10R2.7 C1CC2=C(N1)C=CC=C2 AC500074 [1,0,0,1,0,0|1,0,0]=3 303 B10R2.7 C1CC2=C(N1)N=CC=C2 AC020599 [1,0,0,1,0,0|2,0,0]=4 304 B10R2.7 C1CC2=CC=CC=C2O1 AC020850 [1,0,0,1,0,0|0,0,0]=2 305 B10R2.7 C1CC2=CC=CN=C2N1 AC021071 [1,0,0,1,0,0|2,0,0]=4 306 B10R2.7 C1NCC2=C1C=CC=C2 AC181687 [1,0,0,1,0,0|2,0,0]=4 307 B10R2.7 C1OCC2=C1C=CC=C2 AC010325 [1,0,0,1,0,0|2,0,0]=4 308 B10R2.7 O1C=NC2=CC=CC=C12 AC511074 [1,0,0,1,0,0|1,0,1]=4 309 B12R2.24 BrC1=CC2=C(OCCO2)N=C1 AC100097 [0,1,0,1,0,0|1,0,0]=3 310 B12R2.24 BrC1=CC=C2NCCOC2=C1 AC182789 [0,1,0,1,0,0|1,0,0]=3 311 B12R2.24 BrC1=CC=C2OCC=CC2=C1 AC040145 [0,1,0,1,0,0|1,0,1]=4 312 B12R2.24 BrC1=CC=C2OCCOC2=C1 AC180437 [0,1,0,1,0,0|0,0,0]=2 313 B12R2.24 C1CC2=CC(=CC=C2NC1)F LN00182017 [0,1,0,1,0,0|2,0,0]=4 314 B12R2.24 C1COC2=C(C=C(C=N2)Br)O1 LN00157752 [0,1,0,1,0,0|1,0,0]=3 315 B12R2.24 NC1=CC2=C(CCCN2)C=C1 AC170059 [0,1,0,1,0,0|2,0,0]=4 316 B12R2.24 NC1=CC2=C(OCCO2)C=C1 AC130076 [0,1,0,1,0,0|0,0,0]=2 317 B12R2.24 NC1CCC2=C(C1)C=CC=C2 AC511993 [0,1,0,1,0,0|2,0,0]=4 318 B12R2.24 NC1CSC2=CC=CC=C2C1 AC320002 [0,1,0,1,0,0|1,1,0]=4 319 B12R2.24 N[C@@H]1COC2=C(C1)C=CC=C2 AC182794 [0,1,0,1,0,0|1,0,0]=3 320 B12R2.24 O=C1COC2=CC=CC=C2N1 AC180799 [0,1,0,1,0,0|1,0,1]=4 321 B12R2.24 OC1=CC2=C(CCCN2)C=C1 AC182222 [0,1,0,1,0,0|2,0,0]=4 322 B12R2.24 OC1=CC2=C(NCCC2)C=C1 AC181118 [0,1,0,1,0,0|2,0,0]=4 323 B12R2.24 OC1=CC2=C(OCCO2)C=C1 AC130203 [0,1,0,1,0,0|0,0,0]=2 324 B12R2.24 OC1=CC=C2CCCCC2=C1 AC512165 [0,1,0,1,0,0|2,0,0]=4 325 B12R2.24 OC1CCC2=CC=CC=C2C1 AC220098 [0,1,0,1,0,0|2,0,0]=4 326 B12R2.132 CC1=NOC2=CC=C(Br)C=C12 AC040073 [0,1,0,1,0,0|2,0,0]=4 327 B12R2.612 OC1=CC=C2C(=O)COC2=C1 AC080307 [0,1,0,1,0,0|2,0,0]=4 328 B12R2.18 CC1=CC2=CC=CC=C2N1C LN00009059 [0,1,0,1,0,0|2,0,0]=4 329 B12R2.315 COC1=C2C=CNC2=CC=C1 AC500089 [0,1,0,1,0,0|1,0,1]=4 330 B12R2.315 COC1=CC=CC2=C1C=NN2 AC182406 [0,1,0,1,0,0|2,0,0]=4 331 B12R2.315 COC1=CC=CC2=C1NC=C2 AC160388 [0,1,0,1,0,0|1,0,1]=4 332 B12R2.315 COC1=CC=CC2=C1NC=C2 LN00006117 [0,1,0,1,0,0|1,0,1]=4 333 B12R2.1081 C1=CC=C2C(=C1)CCCC2N LN00224938 [0,1,0,1,0,0|2,0,0]=4 334 B12R2.1081 CC1CNCC2=C1C=CC=C2 LN00001946 [0,1,0,1,0,0|2,0,0]=4 335 B12R2.1081 CC1CNCC2=CC=CC=C12 LN00245503 [0,1,0,1,0,0|2,0,0]=4 336 B12R2.1081 CC1NCCC2=C1C=CC=C2 AC181112 [0,1,0,1,0,0|2,0,0]=4 337 B12R2.1081 N=C1CCCC2=C1C=CC=C2 AC020396 [0,1,0,1,0,0|2,0,0]=4 338 B12R2.1081 NC1CCOC2=C1C=CC=C2 AC051203 [0,1,0,1,0,0|1,0,0]=3 339 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 AC182356 [0,1,0,1,0,0|1,0,0]=3 340 B12R2.1081 O=C1CCCC2=C1C=CC=C2 AC220096 [0,1,0,1,0,0|2,0,0]=4 341 B12R2.1081 O=C1CCOC2=C1C=CC=C2 AC510788 [0,1,0,1,0,0|1,0,0]=3 342 B12R2.1081 O=C1CCOC2=CC=CN=C12 AC020004 [0,1,0,1,0,0|2,0,0]=4 343 B12R2.1081 O=C1COCC2=C1C=CC=C2 AC182447 [0,1,0,1,0,0|2,0,0]=4 344 B12R2.1081 OC1=CC=CC2=C1NCCC2 AC181471 [0,1,0,1,0,0|2,0,0]=4 345 B12R2.1081 OC1CCCC2=C1C=CC=C2 AC220110 [0,1,0,1,0,0|2,0,0]=4