0 B10R1.3 BrCC1=CC=C(CBr)C=C1 MC40512 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.3 C#CC1=CC=C(C=O)C=C1 CS21472 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.3 C#CC1=CC=C(CC)C=C1 CS11051 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.3 C#CC1=CC=C(OC)C=C1 CS21617 [0,0,0,0,0,0|1,0,1]=2 4 B10R1.3 C#CC1=CN=C(OC)C=C1 MC427465 [0,0,0,0,0,0|2,0,1]=3 5 B10R1.3 C=CC1=NC=C(CC)C=C1 MC111111 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.3 CCC1=CC=C(CCl)C=C1 MC40596 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.3 CCC1=CC=C(NN)C=C1 CS16126 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.3 COC1=CC=C(C#N)C=C1 CS19381 [0,0,0,0,0,0|2,0,0]=2 9 B10R1.3 COC1=CC=C(C=O)C=C1 CS18687 [0,0,0,0,0,0|2,0,0]=2 10 B10R1.3 COC1=CC=C(CCl)C=C1 MC20866 [0,0,0,0,0,0|2,0,0]=2 11 B10R1.3 COC1=CC=C(CN)C=C1 CS18898 [0,0,0,0,0,0|2,0,0]=2 12 B10R1.3 COC1=CC=C(CN)C=N1 MC103395 [0,0,0,0,0,0|3,0,0]=3 13 B10R1.3 COC1=CC=C(CO)C=C1 CS22932 [0,0,0,0,0,0|2,0,0]=2 14 B10R1.3 COC1=CC=C(CO)C=N1 CS15243 [0,0,0,0,0,0|3,0,0]=3 15 B10R1.3 COC1=CC=C(NN)C=C1 CS19581 [0,0,0,0,0,0|2,0,0]=2 16 B10R1.3 COC1=CC=C(OC)C=C1 MC41357 [0,0,0,0,0,0|0,0,0]=0 17 B10R1.3 COC1=CN=C(C#N)N=C1 CS17236 [0,0,0,0,0,0|4,0,0]=4 18 B10R1.3 COC1=CN=C(C=O)C=C1 CS10425 [0,0,0,0,0,0|3,0,0]=3 19 B10R1.3 COC1=CN=C(C=O)N=C1 MC103831 [0,0,0,0,0,0|4,0,0]=4 20 B10R1.3 COC1=CN=C(CBr)C=C1 CS18482 [0,0,0,0,0,0|3,0,0]=3 21 B10R1.3 COC1=CN=C(CCl)C=C1 CS12684 [0,0,0,0,0,0|3,0,0]=3 22 B10R1.3 COC1=CN=C(CCl)C=C1 MC105068 [0,0,0,0,0,0|3,0,0]=3 23 B10R1.3 COC1=CN=C(CN)C=C1 MC431302 [0,0,0,0,0,0|3,0,0]=3 24 B10R1.3 COC1=CN=C(CO)C=C1 MC443535 [0,0,0,0,0,0|3,0,0]=3 25 B10R1.3 COC1=NC=C(C=O)C=C1 CS20322 [0,0,0,0,0,0|3,0,0]=3 26 B10R1.3 COC1=NC=C(C=O)C=N1 CS16257 [0,0,0,0,0,0|4,0,0]=4 27 B10R1.3 COC1=NC=C(CBr)C=C1 CS17111 [0,0,0,0,0,0|3,0,0]=3 28 B10R1.3 COC1=NC=C(CCl)C=C1 CS16575 [0,0,0,0,0,0|3,0,0]=3 29 B10R1.3 COC1=NC=C(CN)C=N1 CS16815 [0,0,0,0,0,0|4,0,0]=4 30 B10R1.3 COC1=NC=C(NN)C=C1 CS16925 [0,0,0,0,0,0|3,0,0]=3 31 B10R1.3 COc1ccc([Mg]Br)cn1 MC116057 [0,0,0,0,0,0|3,0,0]=3 32 B10R1.3 CSC1=CC=C(CN)C=C1 MC433900 [0,0,0,0,0,0|2,1,0]=3 33 B10R1.3 N#CC1=CC=C(C#N)C=C1 CS11975 [0,0,0,0,0,0|4,0,0]=4 34 B10R1.3 N#CC1=CC=C(C=O)C=C1 CS13468 [0,0,0,0,0,0|4,0,0]=4 35 B10R1.3 N#CC1=CC=C(CBr)C=C1 CS18792 [0,0,0,0,0,0|4,0,0]=4 36 B10R1.3 N#CC1=CC=C(CCl)C=C1 CS17835 [0,0,0,0,0,0|4,0,0]=4 37 B10R1.3 N#CC1=CC=C(CN)C=C1 CS19851 [0,0,0,0,0,0|4,0,0]=4 38 B10R1.3 N#CC1=CC=C(CN)C=C1 MC40812 [0,0,0,0,0,0|4,0,0]=4 39 B10R1.3 N#CC1=CC=C(NN)C=C1 CS20304 [0,0,0,0,0,0|4,0,0]=4 40 B10R1.3 NCC1=CC=C(CO)C=C1 CS18290 [0,0,0,0,0,0|4,0,0]=4 41 B10R1.3 O=CC1=CC=C(C=O)C=C1 CS11974 [0,0,0,0,0,0|4,0,0]=4 42 B10R1.3 O=CC1=CC=C(CBr)C=C1 MC41097 [0,0,0,0,0,0|4,0,0]=4 43 B10R1.3 O=CC1=CC=C(CO)C=C1 CS15415 [0,0,0,0,0,0|4,0,0]=4 44 B10R1.3 O=NC1=CC=C(N=O)C=C1 MC21148 [0,0,0,0,0,0|4,0,0]=4 45 B10R1.3 OCC1=CC=C(CBr)C=C1 CS20041 [0,0,0,0,0,0|4,0,0]=4 46 B10R1.3 OCC1=CC=C(CO)C=C1 CS20456 [0,0,0,0,0,0|4,0,0]=4 47 B9R1.1 BrCC1=CC=C(Br)C=C1 CS19166 [1,0,0,0,0,0|3,0,0]=4 48 B9R1.1 BrCC1=CC=C(I)C=C1 CS20172 [1,0,0,0,0,0|3,0,0]=4 49 B9R1.1 Br[Mg]c1ccc(Br)cc1 MC116037 [1,0,0,0,0,0|3,0,0]=4 50 B9R1.1 C#CC1=CC=C(Br)C=C1 MC440298 [1,0,0,0,0,0|2,0,1]=4 51 B9R1.1 C#CC1=CC=C(C)C=C1 CS21552 [1,0,0,0,0,0|1,0,1]=3 52 B9R1.1 C#CC1=CC=C(Cl)C=C1 MC440300 [1,0,0,0,0,0|2,0,1]=4 53 B9R1.1 C#CC1=CC=C(F)C=C1 MC429574 [1,0,0,0,0,0|2,0,1]=4 54 B9R1.1 C#CC1=CC=C(I)C=C1 MC443225 [1,0,0,0,0,0|2,0,1]=4 55 B9R1.1 C#CC1=CN=C(O)C=C1 CS16476 [1,0,0,0,0,0|2,0,1]=4 56 B9R1.1 C=CC1=CC=C(Br)C=C1 MC41562 [1,0,0,0,0,0|2,0,1]=4 57 B9R1.1 C=CC1=CC=C(F)C=C1 MC33131 [1,0,0,0,0,0|2,0,1]=4 58 B9R1.1 CC1=CC=C(C#N)C=C1 CS19807 [1,0,0,0,0,0|2,0,0]=3 59 B9R1.1 CC1=CC=C(C=O)C=C1 MC41128 [1,0,0,0,0,0|2,0,0]=3 60 B9R1.1 CC1=CC=C(CBr)C=C1 CS22969 [1,0,0,0,0,0|2,0,0]=3 61 B9R1.1 CC1=CC=C(CCl)C=C1 MC40603 [1,0,0,0,0,0|2,0,0]=3 62 B9R1.1 CC1=CC=C(CN)C=C1 CS22970 [1,0,0,0,0,0|2,0,0]=3 63 B9R1.1 CC1=CC=C(CO)C=C1 CS19704 [1,0,0,0,0,0|2,0,0]=3 64 B9R1.1 CC1=CC=C(CO)C=N1 MC21041 [1,0,0,0,0,0|3,0,0]=4 65 B9R1.1 CC1=CC=C(NN)C=C1 CS19576 [1,0,0,0,0,0|2,0,0]=3 66 B9R1.1 CC1=CN=C(C#N)C=C1 CS13787 [1,0,0,0,0,0|3,0,0]=4 67 B9R1.1 CC1=CN=C(C=O)C=C1 CS19088 [1,0,0,0,0,0|3,0,0]=4 68 B9R1.1 CC1=CN=C(CCl)C=C1 MC115829 [1,0,0,0,0,0|3,0,0]=4 69 B9R1.1 CC1=CN=C(CN)C=C1 CS18319 [1,0,0,0,0,0|3,0,0]=4 70 B9R1.1 CC1=NC=C(C#N)C=C1 CS14144 [1,0,0,0,0,0|3,0,0]=4 71 B9R1.1 CC1=NC=C(C=O)C=C1 CS19116 [1,0,0,0,0,0|3,0,0]=4 72 B9R1.1 CCC1=CC=C(Br)C=C1 CS10865 [1,0,0,0,0,0|2,0,0]=3 73 B9R1.1 CCC1=CC=C(F)C=C1 MC20965 [1,0,0,0,0,0|2,0,0]=3 74 B9R1.1 CCC1=CC=C(I)C=C1 MC20189 [1,0,0,0,0,0|2,0,0]=3 75 B9R1.1 CCC1=CC=C(N)C=C1 MC40912 [1,0,0,0,0,0|2,0,0]=3 76 B9R1.1 CCC1=CC=C(O)C=C1 MC20188 [1,0,0,0,0,0|1,0,0]=2 77 B9R1.1 CCC1=CN=C(Br)C=C1 CS13124 [1,0,0,0,0,0|3,0,0]=4 78 B9R1.1 CCC1=CN=C(C)C=C1 MC20566 [1,0,0,0,0,0|2,0,0]=3 79 B9R1.1 CCC1=NC=C(Br)C=C1 CS12376 [1,0,0,0,0,0|3,0,0]=4 80 B9R1.1 CNC1=CC=C(Cl)C=C1 MC40891 [1,0,0,0,0,0|2,0,0]=3 81 B9R1.1 CNC1=CC=C(F)C=C1 MC40919 [1,0,0,0,0,0|2,0,0]=3 82 B9R1.1 CNC1=CC=C(I)C=C1 CS22906 [1,0,0,0,0,0|2,0,0]=3 83 B9R1.1 CNC1=NC=C(Br)C=C1 CS10304 [1,0,0,0,0,0|3,0,0]=4 84 B9R1.1 CNC1=NC=C(N)C=C1 MC33484 [1,0,0,0,0,0|3,0,0]=4 85 B9R1.1 COC1=CC=C(Br)C=C1 MC41310 [1,0,0,0,0,0|1,0,0]=2 86 B9R1.1 COC1=CC=C(Br)N=N1 CS14617 [1,0,0,0,0,0|3,0,0]=4 87 B9R1.1 COC1=CC=C(Cl)C=C1 MC41327 [1,0,0,0,0,0|1,0,0]=2 88 B9R1.1 COC1=CC=C(Cl)N=N1 CS17689 [1,0,0,0,0,0|3,0,0]=4 89 B9R1.1 COC1=CC=C(F)C=C1 MC30345 [1,0,0,0,0,0|1,0,0]=2 90 B9R1.1 COC1=CC=C(I)C=C1 MC41342 [1,0,0,0,0,0|1,0,0]=2 91 B9R1.1 COC1=CC=C(N)C=C1 CS18580 [1,0,0,0,0,0|1,0,0]=2 92 B9R1.1 COC1=CC=C(N)C=N1 CS19527 [1,0,0,0,0,0|2,0,0]=3 93 B9R1.1 COC1=CC=C(N)N=N1 CS22091 [1,0,0,0,0,0|3,0,0]=4 94 B9R1.1 COC1=CC=C(O)C=C1 CS22939 [1,0,0,0,0,0|0,0,0]=1 95 B9R1.1 COC1=CC=C(O)C=N1 CS19503 [1,0,0,0,0,0|1,0,0]=2 96 B9R1.1 COC1=CC=C(S)C=C1 MC20380 [1,0,0,0,0,0|0,1,0]=2 97 B9R1.1 COC1=CC=[N+]([O-])C=C1 CS18613 [1,0,0,0,0,0|1,0,1]=3 98 B9R1.1 COC1=CN=C(Br)C=C1 CS13470 [1,0,0,0,0,0|2,0,0]=3 99 B9R1.1 COC1=CN=C(Br)C=N1 CS21377 [1,0,0,0,0,0|3,0,0]=4 100 B9R1.1 COC1=CN=C(Br)N=C1 MC444175 [1,0,0,0,0,0|3,0,0]=4 101 B9R1.1 COC1=CN=C(Cl)C=N1 CS14927 [1,0,0,0,0,0|3,0,0]=4 102 B9R1.1 COC1=CN=C(Cl)N=C1 CS21468 [1,0,0,0,0,0|3,0,0]=4 103 B9R1.1 COC1=CN=C(F)C=C1 MC442697 [1,0,0,0,0,0|2,0,0]=3 104 B9R1.1 COC1=CN=C(N)C=C1 CS17791 [1,0,0,0,0,0|2,0,0]=3 105 B9R1.1 COC1=CN=C(N)C=N1 CS19706 [1,0,0,0,0,0|3,0,0]=4 106 B9R1.1 COC1=CN=C(N)N=C1 CS12998 [1,0,0,0,0,0|3,0,0]=4 107 B9R1.1 COC1=NC=C(Br)C=C1 CS22030 [1,0,0,0,0,0|2,0,0]=3 108 B9R1.1 COC1=NC=C(Br)C=N1 CS17652 [1,0,0,0,0,0|3,0,0]=4 109 B9R1.1 COC1=NC=C(C)C=C1 CS21644 [1,0,0,0,0,0|1,0,0]=2 110 B9R1.1 COC1=NC=C(Cl)C=C1 CS17976 [1,0,0,0,0,0|2,0,0]=3 111 B9R1.1 COC1=NC=C(F)C=C1 MC20598 [1,0,0,0,0,0|2,0,0]=3 112 B9R1.1 COC1=NC=C(I)C=C1 CS21641 [1,0,0,0,0,0|2,0,0]=3 113 B9R1.1 COC1=NC=C(N)C=C1 MC33494 [1,0,0,0,0,0|2,0,0]=3 114 B9R1.1 COC1=NC=C(N)C=N1 CS21652 [1,0,0,0,0,0|3,0,0]=4 115 B9R1.1 CSC1=CC=C(O)C=C1 MC20743 [1,0,0,0,0,0|0,1,0]=2 116 B9R1.1 CSC1=CN=C(Br)C=C1 MC430574 [1,0,0,0,0,0|2,1,0]=4 117 B9R1.1 CSC1=NC=C(O)C=N1 CS12580 [1,0,0,0,0,0|2,1,0]=4 118 B9R1.1 ClC1=CC=C(CBr)C=C1 MC40527 [1,0,0,0,0,0|3,0,0]=4 119 B9R1.1 ClCC1=CC=C(Br)C=C1 CS19167 [1,0,0,0,0,0|3,0,0]=4 120 B9R1.1 ClCC1=CC=C(Cl)C=C1 CS19806 [1,0,0,0,0,0|3,0,0]=4 121 B9R1.1 FC1=CC=C(CBr)C=C1 CS19071 [1,0,0,0,0,0|3,0,0]=4 122 B9R1.1 FC1=CC=C(CCl)C=C1 MC429572 [1,0,0,0,0,0|3,0,0]=4 123 B9R1.1 N#CC1=CC=C(Br)C=C1 CS19210 [1,0,0,0,0,0|3,0,0]=4 124 B9R1.1 N#CC1=CC=C(Cl)C=C1 CS19211 [1,0,0,0,0,0|3,0,0]=4 125 B9R1.1 N#CC1=CC=C(F)C=C1 CS18637 [1,0,0,0,0,0|3,0,0]=4 126 B9R1.1 N#CC1=CC=C(I)C=C1 CS22010 [1,0,0,0,0,0|3,0,0]=4 127 B9R1.1 N#CC1=CC=C(N)C=C1 CS13395 [1,0,0,0,0,0|3,0,0]=4 128 B9R1.1 N#CC1=CC=C(O)C=C1 CS15887 [1,0,0,0,0,0|2,0,0]=3 129 B9R1.1 N#CC1=CN=C(O)C=C1 CS22258 [1,0,0,0,0,0|3,0,0]=4 130 B9R1.1 N#CC1=CN=C(O)C=C1 MC427585 [1,0,0,0,0,0|3,0,0]=4 131 B9R1.1 N#CC1=NC=C(O)C=C1 MC429663 [1,0,0,0,0,0|3,0,0]=4 132 B9R1.1 NC1=CC=C(C=O)C=C1 MC20423 [1,0,0,0,0,0|3,0,0]=4 133 B9R1.1 NC1=CC=C(CO)C=C1 MC33175 [1,0,0,0,0,0|3,0,0]=4 134 B9R1.1 NCC1=CC=C(Br)C=C1 CS19587 [1,0,0,0,0,0|3,0,0]=4 135 B9R1.1 NCC1=CC=C(Cl)C=C1 MC33031 [1,0,0,0,0,0|3,0,0]=4 136 B9R1.1 NCC1=CC=C(F)C=C1 CS18721 [1,0,0,0,0,0|3,0,0]=4 137 B9R1.1 NCC1=CC=C(I)C=C1 MC40836 [1,0,0,0,0,0|3,0,0]=4 138 B9R1.1 NCC1=CC=C(I)C=C1 MC40837 [1,0,0,0,0,0|3,0,0]=4 139 B9R1.1 NCC1=CC=C(O)C=C1 CS22886 [1,0,0,0,0,0|2,0,0]=3 140 B9R1.1 NNC1=CC=C(Br)C=C1 CS15342 [1,0,0,0,0,0|3,0,0]=4 141 B9R1.1 NNC1=CC=C(Cl)C=C1 CS13495 [1,0,0,0,0,0|3,0,0]=4 142 B9R1.1 NNC1=CC=C(Cl)C=C1 CS17312 [1,0,0,0,0,0|3,0,0]=4 143 B9R1.1 NNC1=CC=C(F)C=C1 CS22006 [1,0,0,0,0,0|3,0,0]=4 144 B9R1.1 NNC1=CC=C(N)C=C1 MC430700 [1,0,0,0,0,0|3,0,0]=4 145 B9R1.1 O=CC1=CC=C(Br)C=C1 CS18612 [1,0,0,0,0,0|3,0,0]=4 146 B9R1.1 O=CC1=CC=C(Cl)C=C1 CS14843 [1,0,0,0,0,0|3,0,0]=4 147 B9R1.1 O=CC1=CC=C(F)C=C1 CS19072 [1,0,0,0,0,0|3,0,0]=4 148 B9R1.1 O=CC1=CC=C(I)C=C1 CS20133 [1,0,0,0,0,0|3,0,0]=4 149 B9R1.1 O=CC1=CC=C(O)C=C1 CS18686 [1,0,0,0,0,0|2,0,0]=3 150 B9R1.1 O=CC1=CN=C(O)C=C1 CS13494 [1,0,0,0,0,0|3,0,0]=4 151 B9R1.1 O=CC1=NC=C(O)C=C1 CS12167 [1,0,0,0,0,0|3,0,0]=4 152 B9R1.1 OCC1=CC=C(Br)C=C1 CS19378 [1,0,0,0,0,0|3,0,0]=4 153 B9R1.1 OCC1=CC=C(Cl)C=C1 CS19353 [1,0,0,0,0,0|3,0,0]=4 154 B9R1.1 OCC1=CC=C(F)C=C1 MC40711 [1,0,0,0,0,0|3,0,0]=4 155 B9R1.1 OCC1=CC=C(O)C=C1 CS19212 [1,0,0,0,0,0|2,0,0]=3 156 B11R1.3 C(C)(N)C1=CC=C(OC)C=C1 MC20521 [0,1,0,0,0,0|1,0,0]=2 157 B11R1.3 C=C(C)C1=CC=C(OC)C=C1 MC20903 [0,1,0,0,0,0|1,0,0]=2 158 B11R1.3 CC(=O)C1=CC=C(C#N)C=C1 CS18730 [0,1,0,0,0,0|3,0,0]=4 159 B11R1.3 CC(=O)C1=CC=C(CBr)C=C1 CS12193 [0,1,0,0,0,0|3,0,0]=4 160 B11R1.3 CC(C)C1=CC=C(CBr)C=C1 CS14001 [0,1,0,0,0,0|3,0,0]=4 161 B11R1.3 CC(N)C1=CC=C(C#N)C=C1 CS17346 [0,1,0,0,0,0|3,0,0]=4 162 B11R1.3 CC(O)C1=CC=C(C#N)C=C1 CS10987 [0,1,0,0,0,0|3,0,0]=4 163 B11R1.3 CCC1=CC=C(B(O)O)C=C1 CS10550 [0,1,0,0,0,0|3,0,0]=4 164 B11R1.3 CCC1=CC=C(C(=O)O)C=C1 CS13406 [0,1,0,0,0,0|3,0,0]=4 165 B11R1.3 CN(C)C1=CC=C(C#N)C=C1 MC40651 [0,1,0,0,0,0|3,0,0]=4 166 B11R1.3 CN(C)C1=CC=C(C=O)C=C1 CS13401 [0,1,0,0,0,0|3,0,0]=4 167 B11R1.3 CNC1=CC=C(C(=O)O)C=C1 MC20232 [0,1,0,0,0,0|3,0,0]=4 168 B11R1.3 COC1=CC=C(B(O)O)C=C1 CS10530 [0,1,0,0,0,0|2,0,0]=3 169 B11R1.3 COC1=CC=C(B(O)O)C=N1 CS19514 [0,1,0,0,0,0|3,0,0]=4 170 B11R1.3 COC1=CC=C(C(=O)Cl)C=C1 MC20515 [0,1,0,0,0,0|2,0,0]=3 171 B11R1.3 COC1=CC=C(C(C)=O)C=C1 MC41262 [0,1,0,0,0,0|1,0,0]=2 172 B11R1.3 COC1=CC=C(C(C)=O)C=N1 CS20044 [0,1,0,0,0,0|2,0,0]=3 173 B11R1.3 COC1=CC=C(C(C)C)C=C1 MC41346 [0,1,0,0,0,0|1,0,0]=2 174 B11R1.3 COC1=CC=C(C(C)N)C=C1 CS13954 [0,1,0,0,0,0|1,0,0]=2 175 B11R1.3 COC1=CC=C(N(C)C)C=C1 MC20811 [0,1,0,0,0,0|1,0,0]=2 176 B11R1.3 COC1=CN=C(C(=O)O)C=C1 CS18937 [0,1,0,0,0,0|3,0,0]=4 177 B11R1.3 COC1=CN=C(C(C)=O)C=C1 MC105069 [0,1,0,0,0,0|2,0,0]=3 178 B11R1.3 COC1=CN=C([N+](=O)[O-])C=C1 MC33485 [0,1,0,0,0,0|3,0,0]=4 179 B11R1.3 COC1=NC=C(C(=O)O)C=C1 CS10490 [0,1,0,0,0,0|3,0,0]=4 180 B11R1.3 COC1=NC=C([N+](=O)[O-])C=C1 CS19385 [0,1,0,0,0,0|3,0,0]=4 181 B11R1.3 NOC1=CC=C([N+](=O)[O-])C=C1 CS14658 [0,1,0,0,0,0|3,0,0]=4 182 B11R1.83 C#CC1=CC=C(OCC)C=C1 CS11063 [0,1,0,0,0,0|1,0,1]=3 183 B11R1.83 CCC1=CN=C(CCO)C=C1 CS10373 [0,1,0,0,0,0|3,0,0]=4 184 B11R1.83 CCCC1=CC=C(C=O)C=C1 MC41132 [0,1,0,0,0,0|3,0,0]=4 185 B11R1.83 CCCC1=CC=C(CN)C=C1 CS10109 [0,1,0,0,0,0|3,0,0]=4 186 B11R1.83 CCOC1=CC=C(C=O)C=C1 CS22818 [0,1,0,0,0,0|2,0,0]=3 187 B11R1.83 CCOC1=CC=C(CN)C=C1 MC40825 [0,1,0,0,0,0|2,0,0]=3 188 B11R1.83 CCOC1=CC=C(CO)C=C1 CS22820 [0,1,0,0,0,0|2,0,0]=3 189 B11R1.83 CNCC1=CC=C(OC)C=C1 CS18429 [0,1,0,0,0,0|1,0,0]=2 190 B11R1.83 COC1=CC=C(CC#N)C=C1 CS13459 [0,1,0,0,0,0|1,0,1]=3 191 B11R1.83 COC1=CC=C(CNN)C=C1 CS20199 [0,1,0,0,0,0|2,0,0]=3 192 B11R1.83 COC1=CC=C(CNO)C=C1 MC106878 [0,1,0,0,0,0|2,0,0]=3 193 B11R1.83 COC1=CC=C(CON)C=C1 CS20566 [0,1,0,0,0,0|1,0,0]=2 194 B11R1.83 COC1=CC=C(N=C=O)C=C1 MC41047 [0,1,0,0,0,0|1,0,1]=3 195 B11R1.83 COC1=CC=C(\C=N\O)C=C1 MC427343 [0,1,0,0,0,0|2,0,0]=3 196 B11R1.83 C\C=C\C1=CC=C(OC)C=C1 CS10928 [0,1,0,0,0,0|1,0,0]=2 197 B11R1.83 C\C=C\C1=CC=C(OC)C=C1 CS10929 [0,1,0,0,0,0|1,0,0]=2 198 B11R1.83 N#CC1=CC=C(CCBr)C=C1 CS12532 [0,1,0,0,0,0|3,0,0]=4 199 B11R1.83 N#CC1=CC=C(CCN)C=C1 CS22808 [0,1,0,0,0,0|3,0,0]=4 200 B11R1.83 N#CC1=CC=C(CCO)C=C1 CS22434 [0,1,0,0,0,0|3,0,0]=4 201 B11R1.83 O=CC1=CC=C(CCCl)C=C1 MC106352 [0,1,0,0,0,0|3,0,0]=4 202 B11R1.83 O=CC1=CC=C(CCO)C=C1 CS16581 [0,1,0,0,0,0|3,0,0]=4 203 B11R1.279 C#CC1=C(C)C=C(OC)C=C1 MC430204 [0,1,0,0,0,0|1,0,1]=3 204 B11R1.279 CNC1=C(F)C=C(C#N)C=C1 MC33368 [0,1,0,0,0,0|3,0,0]=4 205 B11R1.279 CNC1=CC=C(OC)C=C1N MC107631 [0,1,0,0,0,0|1,0,0]=2 206 B11R1.279 COC1=C(Br)C=C(C#N)C=C1 MC30286 [0,1,0,0,0,0|2,0,0]=3 207 B11R1.279 COC1=C(Br)C=C(C=O)C=C1 MC30287 [0,1,0,0,0,0|2,0,0]=3 208 B11R1.279 COC1=C(C)C=C(C#N)C=C1 MC30267 [0,1,0,0,0,0|2,0,0]=3 209 B11R1.279 COC1=C(C)C=C(C=O)C=C1 CS10892 [0,1,0,0,0,0|2,0,0]=3 210 B11R1.279 COC1=C(Cl)C=C(C#N)C=C1 MC433757 [0,1,0,0,0,0|2,0,0]=3 211 B11R1.279 COC1=C(Cl)C=C(C=O)C=C1 MC41105 [0,1,0,0,0,0|2,0,0]=3 212 B11R1.279 COC1=C(Cl)C=C(CBr)C=C1 CS22687 [0,1,0,0,0,0|2,0,0]=3 213 B11R1.279 COC1=C(Cl)C=C(CN)C=C1 CS20430 [0,1,0,0,0,0|2,0,0]=3 214 B11R1.279 COC1=C(Cl)C=C(CO)C=N1 MC431971 [0,1,0,0,0,0|3,0,0]=4 215 B11R1.279 COC1=C(F)C=C(C#N)C=C1 MC433110 [0,1,0,0,0,0|2,0,0]=3 216 B11R1.279 COC1=C(F)C=C(C=O)C=C1 MC30257 [0,1,0,0,0,0|2,0,0]=3 217 B11R1.279 COC1=C(F)C=C(CBr)C=C1 MC40553 [0,1,0,0,0,0|2,0,0]=3 218 B11R1.279 COC1=C(F)C=C(CCl)C=C1 MC40599 [0,1,0,0,0,0|2,0,0]=3 219 B11R1.279 COC1=C(F)C=C(CN)C=C1 MC40827 [0,1,0,0,0,0|2,0,0]=3 220 B11R1.279 COC1=C(N)C=C(C#N)C=C1 MC30250 [0,1,0,0,0,0|2,0,0]=3 221 B11R1.279 COC1=C(N)C=C(C=O)C=C1 CS22069 [0,1,0,0,0,0|2,0,0]=3 222 B11R1.279 COC1=C(O)C=C(C#N)C=C1 CS14799 [0,1,0,0,0,0|2,0,0]=3 223 B11R1.279 COC1=C(O)C=C(C=O)C=C1 CS15324 [0,1,0,0,0,0|2,0,0]=3 224 B11R1.279 COC1=C(O)C=C(CO)C=C1 CS22314 [0,1,0,0,0,0|2,0,0]=3 225 B11R1.279 COC1=CC(Br)=C(C#N)C=C1 CS13234 [0,1,0,0,0,0|2,0,0]=3 226 B11R1.279 COC1=CC(Br)=C(C=O)C=C1 MC41095 [0,1,0,0,0,0|2,0,0]=3 227 B11R1.279 COC1=CC(C)=C(C=O)C=C1 MC41126 [0,1,0,0,0,0|2,0,0]=3 228 B11R1.279 COC1=CC(Cl)=C(C#N)C=C1 CS21446 [0,1,0,0,0,0|2,0,0]=3 229 B11R1.279 COC1=CC(Cl)=C(C=O)C=C1 CS14902 [0,1,0,0,0,0|2,0,0]=3 230 B11R1.279 COC1=CC(Cl)=C(C=O)C=N1 MC431794 [0,1,0,0,0,0|3,0,0]=4 231 B11R1.279 COC1=CC(Cl)=C(NN)C=C1 MC103360 [0,1,0,0,0,0|2,0,0]=3 232 B11R1.279 COC1=CC(F)=C(C#N)C=C1 CS10749 [0,1,0,0,0,0|2,0,0]=3 233 B11R1.279 COC1=CC(F)=C(C=O)C=C1 CS10812 [0,1,0,0,0,0|2,0,0]=3 234 B11R1.279 COC1=CC(F)=C(CCl)C=C1 MC433862 [0,1,0,0,0,0|2,0,0]=3 235 B11R1.279 COC1=CC(F)=C(CO)C=C1 MC425568 [0,1,0,0,0,0|2,0,0]=3 236 B11R1.279 COC1=CC(F)=C(NN)C=C1 CS15976 [0,1,0,0,0,0|2,0,0]=3 237 B11R1.279 COC1=CC(F)=C(OC)C=C1 CS20541 [0,1,0,0,0,0|0,0,0]=1 238 B11R1.279 COC1=CC(I)=C(C#N)C=C1 MC442269 [0,1,0,0,0,0|2,0,0]=3 239 B11R1.279 COC1=CC(N)=C(C#N)C=C1 CS17220 [0,1,0,0,0,0|2,0,0]=3 240 B11R1.279 COC1=CC(N)=C(OC)C=C1 CS21148 [0,1,0,0,0,0|0,0,0]=1 241 B11R1.279 COC1=CC(O)=C(C#N)C=C1 CS14796 [0,1,0,0,0,0|2,0,0]=3 242 B11R1.279 COC1=CC(O)=C(C=O)C=C1 CS20937 [0,1,0,0,0,0|2,0,0]=3 243 B11R1.279 COC1=CC(O)=C(OC)C=C1 CS21149 [0,1,0,0,0,0|0,0,0]=1 244 B11R1.279 COC1=CN=C(CN)C(F)=C1 MC431985 [0,1,0,0,0,0|3,0,0]=4 245 B11R1.279 COC1=CN=C(CO)C(F)=C1 MC115823 [0,1,0,0,0,0|3,0,0]=4 246 B11R1.279 COC1=NC(Br)=C(C#N)C=C1 MC108360 [0,1,0,0,0,0|3,0,0]=4 247 B11R1.279 COC1=NC(Br)=C(C=O)C=C1 MC431994 [0,1,0,0,0,0|3,0,0]=4 248 B11R1.279 COC1=NC(Cl)=C(C=O)C=C1 MC430651 [0,1,0,0,0,0|3,0,0]=4 249 B11R1.279 COC1=NC(F)=C(C=O)C=C1 MC441123 [0,1,0,0,0,0|3,0,0]=4 250 B11R1.279 COC1=NC=C(C=O)C=C1Br MC430406 [0,1,0,0,0,0|3,0,0]=4 251 B11R1.279 COC1=NC=C(C=O)C=C1F MC115933 [0,1,0,0,0,0|3,0,0]=4 252 B11R1.279 COC1=NC=C(CBr)C=C1F MC432190 [0,1,0,0,0,0|3,0,0]=4 253 B11R1.279 CSC1=C(C)C=C(C#N)C=C1 MC112206 [0,1,0,0,0,0|2,1,0]=4 254 B11R1.279 CSC1=C(C)C=C(CN)C=C1 MC112204 [0,1,0,0,0,0|2,1,0]=4 255 B8R0.6 C\C=C\C=C\C(=O)OC MC446659 [1,0,1,0,0,0|2,0,0]=4 256 B8R1.2 C#CC1=CC=CC=C1 CS19127 [2,0,0,0,0,0|1,0,1]=4 257 B8R1.2 CCC1=CC=CC=C1 MC41556 [2,0,0,0,0,0|1,0,0]=3 258 B8R1.2 CCC1=CC=CN=C1 CS22277 [2,0,0,0,0,0|2,0,0]=4 259 B8R1.2 CNC1=CC=CC=C1 CS11792 [2,0,0,0,0,0|1,0,0]=3 260 B8R1.2 CNC1=CC=CN=C1 CS13856 [2,0,0,0,0,0|2,0,0]=4 261 B8R1.2 CNC1=CC=NC=C1 MC41620 [2,0,0,0,0,0|2,0,0]=4 262 B8R1.2 COC1=CC=CC=C1 MC41309 [2,0,0,0,0,0|0,0,0]=2 263 B8R1.2 COC1=CC=CN=C1 CS22348 [2,0,0,0,0,0|1,0,0]=3 264 B8R1.2 COC1=CC=CN=N1 CS22347 [2,0,0,0,0,0|2,0,0]=4 265 B8R1.2 COC1=CC=NC=C1 CS19206 [2,0,0,0,0,0|1,0,0]=3 266 B8R1.2 COC1=CN=CN=C1 MC428182 [2,0,0,0,0,0|2,0,0]=4 267 B8R1.2 COC1=CN=NC=C1 MC427243 [2,0,0,0,0,0|2,0,0]=4 268 B8R1.2 COC1=NC=CC=C1 CS18780 [2,0,0,0,0,0|1,0,0]=3 269 B8R1.2 COC1=NC=CN=C1 CS17887 [2,0,0,0,0,0|2,0,0]=4 270 B8R1.2 CSC1=CC=CC=C1 MC439137 [2,0,0,0,0,0|0,1,0]=3 271 B8R1.2 CSC1=NC=CC=C1 MC41628 [2,0,0,0,0,0|1,1,0]=4 272 B8R1.2 ICC1=CC=CC=C1 CS11000 [2,0,0,0,0,0|2,0,0]=4 273 B8R1.2 I[Zn]c1ccccc1 MC121332 [2,0,0,0,0,0|2,0,0]=4 274 B8R1.2 N#CC1=CC=CC=C1 MC40623 [2,0,0,0,0,0|2,0,0]=4 275 B8R1.2 N#Cc1ccccc1 CS13696 [2,0,0,0,0,0|2,0,0]=4 276 B8R1.2 NCC1=CC=CC=C1 MC40797 [2,0,0,0,0,0|2,0,0]=4 277 B8R1.2 NNC1=CC=CC=C1 CS15210 [2,0,0,0,0,0|2,0,0]=4 278 B8R1.2 NNC1=CC=CC=C1 MC427075 [2,0,0,0,0,0|2,0,0]=4 279 B8R1.2 O=NC1=CC=CC=C1 MC33163 [2,0,0,0,0,0|2,0,0]=4 280 B8R1.2 OCC1=CC=CC=C1 MC40684 [2,0,0,0,0,0|2,0,0]=4 281 B8R1.3 BrC1=CC=C(Br)C=C1 MC41477 [2,0,0,0,0,0|2,0,0]=4 282 B8R1.3 BrC1=CC=C(I)C=C1 CS22911 [2,0,0,0,0,0|2,0,0]=4 283 B8R1.3 CC1=CC=C(Br)C=C1 MC20922 [2,0,0,0,0,0|1,0,0]=3 284 B8R1.3 CC1=CC=C(C)C=C1 MC41551 [2,0,0,0,0,0|0,0,0]=2 285 B8R1.3 CC1=CC=C(F)C=C1 MC41520 [2,0,0,0,0,0|1,0,0]=3 286 B8R1.3 CC1=CC=C(I)C=C1 MC445763 [2,0,0,0,0,0|1,0,0]=3 287 B8R1.3 CC1=CC=C(N)C=C1 CS11898 [2,0,0,0,0,0|1,0,0]=3 288 B8R1.3 CC1=CC=C(N)C=N1 CS19519 [2,0,0,0,0,0|2,0,0]=4 289 B8R1.3 CC1=CC=C(O)C=C1 MC41204 [2,0,0,0,0,0|0,0,0]=2 290 B8R1.3 CC1=CC=C(O)C=N1 CS19501 [2,0,0,0,0,0|1,0,0]=3 291 B8R1.3 CC1=CC=C(O)N=N1 MC41698 [2,0,0,0,0,0|2,0,0]=4 292 B8R1.3 CC1=CC=C([S-])C=C1 MC112796 [2,0,0,0,0,0|0,1,0]=3 293 B8R1.3 CC1=CN=C(Br)C=C1 CS21837 [2,0,0,0,0,0|2,0,0]=4 294 B8R1.3 CC1=CN=C(C)C=C1 CS21154 [2,0,0,0,0,0|1,0,0]=3 295 B8R1.3 CC1=CN=C(Cl)C=C1 CS19287 [2,0,0,0,0,0|2,0,0]=4 296 B8R1.3 CC1=CN=C(F)C=C1 CS21872 [2,0,0,0,0,0|2,0,0]=4 297 B8R1.3 CC1=CN=C(N)C=C1 CS21820 [2,0,0,0,0,0|2,0,0]=4 298 B8R1.3 CC1=CN=C(O)C=C1 CS16275 [2,0,0,0,0,0|1,0,0]=3 299 B8R1.3 CC1=CN=C(O)C=N1 CS12289 [2,0,0,0,0,0|2,0,0]=4 300 B8R1.3 CC1=CNC(=O)C=C1 CS21591 [2,0,0,0,0,0|1,0,1]=4 301 B8R1.3 CC1=NC=C(Br)C=C1 CS22031 [2,0,0,0,0,0|2,0,0]=4 302 B8R1.3 CC1=NC=C(F)C=C1 MC433052 [2,0,0,0,0,0|2,0,0]=4 303 B8R1.3 CC1=NC=C(I)C=C1 MC20376 [2,0,0,0,0,0|2,0,0]=4 304 B8R1.3 CC1=NC=C(O)C=N1 CS10401 [2,0,0,0,0,0|2,0,0]=4 305 B8R1.3 ClC1=CC=C(Br)C=C1 CS22677 [2,0,0,0,0,0|2,0,0]=4 306 B8R1.3 ClC1=CC=C(I)C=C1 CS19235 [2,0,0,0,0,0|2,0,0]=4 307 B8R1.3 FC1=CC=C(Br)C=C1 MC20092 [2,0,0,0,0,0|2,0,0]=4 308 B8R1.3 FC1=CC=C(Cl)C=C1 CS20666 [2,0,0,0,0,0|2,0,0]=4 309 B8R1.3 FC1=CC=C(F)C=C1 MC41485 [2,0,0,0,0,0|2,0,0]=4 310 B8R1.3 FC1=CC=C(I)C=C1 CS22840 [2,0,0,0,0,0|2,0,0]=4 311 B8R1.3 FC1=CC=C(S)C=C1 MC20299 [2,0,0,0,0,0|1,1,0]=4 312 B8R1.3 IC1=CC=C(I)C=C1 CS19213 [2,0,0,0,0,0|2,0,0]=4 313 B8R1.3 NC1=CC=C(Br)C=C1 MC40858 [2,0,0,0,0,0|2,0,0]=4 314 B8R1.3 NC1=CC=C(Br)C=C1 MC40859 [2,0,0,0,0,0|2,0,0]=4 315 B8R1.3 NC1=CC=C(Cl)C=C1 CS18588 [2,0,0,0,0,0|2,0,0]=4 316 B8R1.3 NC1=CC=C(F)C=C1 CS19763 [2,0,0,0,0,0|2,0,0]=4 317 B8R1.3 NC1=CC=C(N)C=C1 CS18589 [2,0,0,0,0,0|2,0,0]=4 318 B8R1.3 NC1=CC=C(O)C=C1 MC41146 [2,0,0,0,0,0|1,0,0]=3 319 B8R1.3 NC1=CC=C(O)C=N1 CS13087 [2,0,0,0,0,0|2,0,0]=4 320 B8R1.3 NC1=CC=C(O)C=N1 CS18367 [2,0,0,0,0,0|2,0,0]=4 321 B8R1.3 NC1=CC=C(S)C=C1 MC20109 [2,0,0,0,0,0|1,1,0]=4 322 B8R1.3 NC1=CN=C(O)C=C1 CS10211 [2,0,0,0,0,0|2,0,0]=4 323 B8R1.3 NC1=CN=C(O)C=C1 CS18129 [2,0,0,0,0,0|2,0,0]=4 324 B8R1.3 O=C1C=CC(=O)C=C1 CS20528 [2,0,0,0,0,0|0,0,2]=4 325 B8R1.3 O=C1C=CC(O)=CN1 CS15928 [2,0,0,0,0,0|1,0,1]=4 326 B8R1.3 OC1=CC=C(Br)C=C1 MC41163 [2,0,0,0,0,0|1,0,0]=3 327 B8R1.3 OC1=CC=C(Br)N=C1 CS14988 [2,0,0,0,0,0|2,0,0]=4 328 B8R1.3 OC1=CC=C(Cl)C=C1 CS22792 [2,0,0,0,0,0|1,0,0]=3 329 B8R1.3 OC1=CC=C(Cl)N=C1 CS21853 [2,0,0,0,0,0|2,0,0]=4 330 B8R1.3 OC1=CC=C(F)C=C1 MC41198 [2,0,0,0,0,0|1,0,0]=3 331 B8R1.3 OC1=CC=C(F)N=C1 CS14991 [2,0,0,0,0,0|2,0,0]=4 332 B8R1.3 OC1=CC=C(I)C=C1 MC20152 [2,0,0,0,0,0|1,0,0]=3 333 B8R1.3 OC1=CC=C(I)N=C1 MC107165 [2,0,0,0,0,0|2,0,0]=4 334 B8R1.3 OC1=CC=C(O)C=C1 MC41215 [2,0,0,0,0,0|0,0,0]=2 335 B8R1.3 OC1=CC=C(O)N=N1 CS13566 [2,0,0,0,0,0|2,0,0]=4 336 B8R1.3 OC1=CN=C(O)C=C1 CS21147 [2,0,0,0,0,0|1,0,0]=3 337 B8R1.3 OC1=NC=C(Br)C=C1 CS22706 [2,0,0,0,0,0|2,0,0]=4 338 B8R1.3 OC1=NC=C(F)C=C1 MC429397 [2,0,0,0,0,0|2,0,0]=4 339 B8R1.3 OC1=NC=C(I)C=C1 CS13623 [2,0,0,0,0,0|2,0,0]=4 340 B8R1.3 SC1=CC=C(Br)C=C1 MC20198 [2,0,0,0,0,0|1,1,0]=4 341 B10R1.1 C=COC1=CC=C(I)C=C1 MC103309 [1,1,0,0,0,0|1,0,1]=4 342 B10R1.1 CC1=CC=C(CC#N)C=C1 CS21709 [1,1,0,0,0,0|1,0,1]=4 343 B10R1.1 CC1=CC=C(CCBr)C=C1 CS19977 [1,1,0,0,0,0|1,0,0]=3 344 B10R1.1 CC1=CC=C(CCN)C=C1 CS18979 [1,1,0,0,0,0|1,0,0]=3 345 B10R1.1 CC1=CC=C(CCO)C=C1 MC40744 [1,1,0,0,0,0|1,0,0]=3 346 B10R1.1 CC1=CC=C(CNN)C=C1 CS20201 [1,1,0,0,0,0|2,0,0]=4 347 B10R1.1 CCCC1=CC=C(Br)C=C1 CS10896 [1,1,0,0,0,0|2,0,0]=4 348 B10R1.1 CCOC1=CC=C(Br)C=C1 MC446797 [1,1,0,0,0,0|1,0,0]=3 349 B10R1.1 CCOC1=CC=C(I)C=C1 CS22907 [1,1,0,0,0,0|1,0,0]=3 350 B10R1.1 CCOC1=CC=C(N)C=C1 CS11879 [1,1,0,0,0,0|1,0,0]=3 351 B10R1.1 CCOC1=CN=C(N)C=C1 CS15063 [1,1,0,0,0,0|2,0,0]=4 352 B10R1.1 CCOC1=NC=C(Br)C=C1 CS22026 [1,1,0,0,0,0|2,0,0]=4 353 B10R1.1 CCOC1=NC=C(N)C=C1 CS14713 [1,1,0,0,0,0|2,0,0]=4 354 B10R1.1 CNCC1=CC=C(Br)C=C1 CS19272 [1,1,0,0,0,0|2,0,0]=4 355 B10R1.1 CNCC1=CC=C(C)C=C1 CS11795 [1,1,0,0,0,0|1,0,0]=3 356 B10R1.1 ClC1=CC=C(CCBr)C=C1 CS10835 [1,1,0,0,0,0|2,0,0]=4 357 B10R1.1 ClCCC1=CC=C(Cl)C=C1 MC433885 [1,1,0,0,0,0|2,0,0]=4 358 B10R1.1 FC1=CC=C(CCBr)C=C1 CS10866 [1,1,0,0,0,0|2,0,0]=4 359 B10R1.1 NC1=CC=C(CCO)C=C1 CS13450 [1,1,0,0,0,0|2,0,0]=4 360 B10R1.1 NCCC1=CC=C(Br)C=C1 CS19296 [1,1,0,0,0,0|2,0,0]=4 361 B10R1.1 NCCC1=CC=C(Cl)C=C1 MC40975 [1,1,0,0,0,0|2,0,0]=4 362 B10R1.1 NCCC1=CC=C(F)C=C1 CS13766 [1,1,0,0,0,0|2,0,0]=4 363 B10R1.1 NCCC1=CC=C(N)C=C1 MC33045 [1,1,0,0,0,0|2,0,0]=4 364 B10R1.1 NCCC1=CC=C(O)C=C1 CS22315 [1,1,0,0,0,0|1,0,0]=3 365 B10R1.1 OC1=CC=C(N=C=S)C=C1 MC106291 [1,1,0,0,0,0|1,0,1]=4 366 B10R1.1 OCCC1=CC=C(Br)C=C1 CS14491 [1,1,0,0,0,0|2,0,0]=4 367 B10R1.1 OCCC1=CC=C(Cl)C=C1 CS22791 [1,1,0,0,0,0|2,0,0]=4 368 B10R1.1 OCCC1=CC=C(F)C=C1 MC33200 [1,1,0,0,0,0|2,0,0]=4 369 B10R1.1 OCCC1=CC=C(I)C=C1 CS12086 [1,1,0,0,0,0|2,0,0]=4 370 B10R1.1 OCCC1=CC=C(O)C=C1 CS20458 [1,1,0,0,0,0|1,0,0]=3 371 B10R1.13 C=C(C)C1=CC=C(O)C=C1 MC441020 [1,1,0,0,0,0|1,0,0]=3 372 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 CS19447 [1,1,0,0,0,0|2,0,0]=4 373 B10R1.13 CC(=O)C1=CC=C(C)C=C1 CS13558 [1,1,0,0,0,0|1,0,0]=3 374 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 CS20014 [1,1,0,0,0,0|2,0,0]=4 375 B10R1.13 CC(=O)C1=CC=C(F)C=C1 CS14299 [1,1,0,0,0,0|2,0,0]=4 376 B10R1.13 CC(=O)C1=CC=C(N)C=C1 MC20162 [1,1,0,0,0,0|2,0,0]=4 377 B10R1.13 CC(=O)C1=CC=C(O)C=C1 CS22884 [1,1,0,0,0,0|1,0,0]=3 378 B10R1.13 CC(=O)C1=CC=C(O)N=C1 CS12692 [1,1,0,0,0,0|2,0,0]=4 379 B10R1.13 CC(=O)C1=CN=C(C)C=C1 MC428167 [1,1,0,0,0,0|2,0,0]=4 380 B10R1.13 CC(=O)C1=NC=C(C)C=C1 MC443649 [1,1,0,0,0,0|2,0,0]=4 381 B10R1.13 CC(=O)c1ccc(I)cc1 MC433245 [1,1,0,0,0,0|2,0,0]=4 382 B10R1.13 CC(Br)C1=CC=C(F)C=C1 CS16140 [1,1,0,0,0,0|2,0,0]=4 383 B10R1.13 CC(C)C1=CC=C(Br)C=C1 CS19162 [1,1,0,0,0,0|2,0,0]=4 384 B10R1.13 CC(C)C1=CC=C(N)C=C1 CS22915 [1,1,0,0,0,0|2,0,0]=4 385 B10R1.13 CC(N)C1=CC=C(Br)C=C1 CS10540 [1,1,0,0,0,0|2,0,0]=4 386 B10R1.13 CC(N)C1=CC=C(Br)C=C1 CS20256 [1,1,0,0,0,0|2,0,0]=4 387 B10R1.13 CC(N)C1=CC=C(F)C=C1 CS19253 [1,1,0,0,0,0|2,0,0]=4 388 B10R1.13 CC(N)C1=CC=C(F)C=C1 MC40832 [1,1,0,0,0,0|2,0,0]=4 389 B10R1.13 CC(N)C1=CC=C(F)C=C1 MC429424 [1,1,0,0,0,0|2,0,0]=4 390 B10R1.13 CC(N)C1=CC=C(I)C=C1 MC113505 [1,1,0,0,0,0|2,0,0]=4 391 B10R1.13 CC(N)C1=CC=C(N)C=C1 CS22422 [1,1,0,0,0,0|2,0,0]=4 392 B10R1.13 CC(N)c1ccc(Cl)cc1 MC433903 [1,1,0,0,0,0|2,0,0]=4 393 B10R1.13 CC(O)C1=CC=C(F)C=C1 MC33129 [1,1,0,0,0,0|2,0,0]=4 394 B10R1.13 CC(O)C1=CC=C(N)C=C1 MC40728 [1,1,0,0,0,0|2,0,0]=4 395 B10R1.13 CC1=CC=C(B(O)O)C=C1 CS10128 [1,1,0,0,0,0|2,0,0]=4 396 B10R1.13 CC1=CC=C(C(=N)N)C=C1 CS20439 [1,1,0,0,0,0|2,0,0]=4 397 B10R1.13 CC1=CC=C(C(=O)Cl)C=C1 MC40494 [1,1,0,0,0,0|2,0,0]=4 398 B10R1.13 CC1=CC=C(C(=O)O)C=C1 MC40304 [1,1,0,0,0,0|2,0,0]=4 399 B10R1.13 CC1=CC=C(C(N)=O)C=C1 CS11895 [1,1,0,0,0,0|2,0,0]=4 400 B10R1.13 CC1=CC=C(S(=O)[O-])C=C1 CS11896 [1,1,0,0,0,0|1,1,0]=4 401 B10R1.13 CC1=CC=C(S(N)=O)C=C1 CS18822 [1,1,0,0,0,0|1,1,0]=4 402 B10R1.13 CN(C)C1=CC=C(Br)C=C1 CS15132 [1,1,0,0,0,0|2,0,0]=4 403 B10R1.13 CN(C)C1=CC=C(Cl)C=C1 MC20289 [1,1,0,0,0,0|2,0,0]=4 404 B10R1.13 CN(C)C1=CC=C(I)C=C1 CS16430 [1,1,0,0,0,0|2,0,0]=4 405 B10R1.13 CN(C)C1=CC=C(O)C=C1 CS16528 [1,1,0,0,0,0|1,0,0]=3 406 B10R1.13 CN(C)C1=CC=C(O)C=C1 MC442505 [1,1,0,0,0,0|1,0,0]=3 407 B10R1.13 Cc1ccc(C(C)C)cc1 MC444976 [1,1,0,0,0,0|1,0,0]=3 408 B10R1.13 NC(=S)C1=CC=C(O)C=C1 CS20343 [1,1,0,0,0,0|2,0,0]=4 409 B10R1.13 O=C(O)C1=CC=C(O)C=C1 CS22885 [1,1,0,0,0,0|2,0,0]=4 410 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 MC41207 [1,1,0,0,0,0|2,0,0]=4 411 B10R1.13 OB(O)C1=CC=C(O)C=C1 CS19452 [1,1,0,0,0,0|2,0,0]=4 412 B10R1.13 OC1=CC=C(C(F)F)C=C1 CS15692 [1,1,0,0,0,0|2,0,0]=4 413 B10R1.25 CC1=C(C#N)C=CC(O)=C1 MC442235 [1,1,0,0,0,0|2,0,0]=4 414 B10R1.25 CC1=C(C=O)C=CC(O)=C1 CS20933 [1,1,0,0,0,0|2,0,0]=4 415 B10R1.25 CC1=C(CN)C=CC(O)=C1 MC442240 [1,1,0,0,0,0|2,0,0]=4 416 B10R1.25 CC1=CC(Br)=C(C#N)C=C1 CS21363 [1,1,0,0,0,0|2,0,0]=4 417 B10R1.25 CC1=CC(Br)=C(C=O)C=C1 CS20803 [1,1,0,0,0,0|2,0,0]=4 418 B10R1.25 CC1=CC(Br)=C(CN)C=C1 MC112223 [1,1,0,0,0,0|2,0,0]=4 419 B10R1.25 CC1=CC(C)=C(C#N)C=C1 MC40652 [1,1,0,0,0,0|2,0,0]=4 420 B10R1.25 CC1=CC(C)=C(C=O)C=C1 CS21114 [1,1,0,0,0,0|2,0,0]=4 421 B10R1.25 CC1=CC(C)=C(CBr)C=C1 CS21116 [1,1,0,0,0,0|2,0,0]=4 422 B10R1.25 CC1=CC(C)=C(CCl)C=C1 MC40593 [1,1,0,0,0,0|2,0,0]=4 423 B10R1.25 CC1=CC(C)=C(NN)C=C1 CS20500 [1,1,0,0,0,0|2,0,0]=4 424 B10R1.25 CC1=CC(Cl)=C(C#N)C=C1 CS21450 [1,1,0,0,0,0|2,0,0]=4 425 B10R1.25 CC1=CC(Cl)=C(C=O)C=C1 CS21448 [1,1,0,0,0,0|2,0,0]=4 426 B10R1.25 CC1=CC(Cl)=C(NN)C=C1 CS20405 [1,1,0,0,0,0|2,0,0]=4 427 B10R1.25 CC1=CC(Cl)=C(NN)C=C1 MC433989 [1,1,0,0,0,0|2,0,0]=4 428 B10R1.25 CC1=CC(F)=C(C#N)C=C1 CS10736 [1,1,0,0,0,0|2,0,0]=4 429 B10R1.25 CC1=CC(F)=C(C=O)C=C1 MC41116 [1,1,0,0,0,0|2,0,0]=4 430 B10R1.25 CC1=CC(N)=C(C#N)C=C1 CS20911 [1,1,0,0,0,0|2,0,0]=4 431 B10R1.25 CC1=CC(N)=C(CO)C=C1 CS21019 [1,1,0,0,0,0|2,0,0]=4 432 B10R1.25 CC1=CC(O)=C(C#N)C=C1 CS21585 [1,1,0,0,0,0|2,0,0]=4 433 B10R1.25 CC1=CC(O)=C(C=O)C=C1 MC33188 [1,1,0,0,0,0|2,0,0]=4 434 B10R1.25 CCC1=C(Br)C=C(N)C=C1 MC33284 [1,1,0,0,0,0|2,0,0]=4 435 B10R1.25 CCC1=C(Cl)C=C(N)C=C1 MC442501 [1,1,0,0,0,0|2,0,0]=4 436 B10R1.25 CCC1=C(N)C=C(F)C=C1 MC40914 [1,1,0,0,0,0|2,0,0]=4 437 B10R1.25 CNC1=CC=C(Br)C=C1N MC443280 [1,1,0,0,0,0|2,0,0]=4 438 B10R1.25 COC1=C(Br)C=C(Cl)C=C1 CS20168 [1,1,0,0,0,0|1,0,0]=3 439 B10R1.25 COC1=C(Br)C=C(F)C=C1 MC30075 [1,1,0,0,0,0|1,0,0]=3 440 B10R1.25 COC1=C(Br)C=C(I)C=C1 MC41320 [1,1,0,0,0,0|1,0,0]=3 441 B10R1.25 COC1=C(Br)C=C(N)C=C1 MC20804 [1,1,0,0,0,0|1,0,0]=3 442 B10R1.25 COC1=C(Br)C=C(O)C=C1 CS18795 [1,1,0,0,0,0|0,0,0]=2 443 B10R1.25 COC1=C(Br)C=C(O)C=N1 MC432022 [1,1,0,0,0,0|1,0,0]=3 444 B10R1.25 COC1=C(C)C=C(Br)C=C1 CS22652 [1,1,0,0,0,0|1,0,0]=3 445 B10R1.25 COC1=C(C)C=C(I)C=C1 MC41343 [1,1,0,0,0,0|1,0,0]=3 446 B10R1.25 COC1=C(C)C=C(N)C=C1 CS18714 [1,1,0,0,0,0|1,0,0]=3 447 B10R1.25 COC1=C(C)C=C(N)C=N1 CS15363 [1,1,0,0,0,0|2,0,0]=4 448 B10R1.25 COC1=C(C)C=C(O)C=C1 MC442018 [1,1,0,0,0,0|0,0,0]=2 449 B10R1.25 COC1=C(Cl)C=C(C)C=C1 MC442301 [1,1,0,0,0,0|0,0,0]=2 450 B10R1.25 COC1=C(Cl)C=C(F)C=C1 MC30033 [1,1,0,0,0,0|1,0,0]=3 451 B10R1.25 COC1=C(Cl)C=C(N)C=C1 CS14858 [1,1,0,0,0,0|1,0,0]=3 452 B10R1.25 COC1=C(Cl)C=C(N)C=N1 CS17094 [1,1,0,0,0,0|2,0,0]=4 453 B10R1.25 COC1=C(Cl)C=C(O)C=C1 MC442396 [1,1,0,0,0,0|0,0,0]=2 454 B10R1.25 COC1=C(Cl)N=C(N)C=C1 MC103574 [1,1,0,0,0,0|2,0,0]=4 455 B10R1.25 COC1=C(F)C=C(Br)C=C1 MC30240 [1,1,0,0,0,0|1,0,0]=3 456 B10R1.25 COC1=C(F)C=C(I)C=C1 MC425677 [1,1,0,0,0,0|1,0,0]=3 457 B10R1.25 COC1=C(F)C=C(N)C=C1 CS10515 [1,1,0,0,0,0|1,0,0]=3 458 B10R1.25 COC1=C(F)C=C(N)C=N1 CS15127 [1,1,0,0,0,0|2,0,0]=4 459 B10R1.25 COC1=C(F)C=C(O)C=C1 CS22287 [1,1,0,0,0,0|0,0,0]=2 460 B10R1.25 COC1=C(I)C=C(Br)C=C1 CS17024 [1,1,0,0,0,0|1,0,0]=3 461 B10R1.25 COC1=C(I)C=C(Cl)C=C1 MC41330 [1,1,0,0,0,0|1,0,0]=3 462 B10R1.25 COC1=C(I)C=C(N)C=C1 CS18915 [1,1,0,0,0,0|1,0,0]=3 463 B10R1.25 COC1=C(I)C=C(N)C=C1 CS19301 [1,1,0,0,0,0|1,0,0]=3 464 B10R1.25 COC1=C(N)C=C(Br)C=C1 CS10268 [1,1,0,0,0,0|1,0,0]=3 465 B10R1.25 COC1=C(N)C=C(C)C=C1 CS13548 [1,1,0,0,0,0|0,0,0]=2 466 B10R1.25 COC1=C(N)C=C(F)C=C1 MC30206 [1,1,0,0,0,0|1,0,0]=3 467 B10R1.25 COC1=C(N)C=C(I)C=C1 MC428313 [1,1,0,0,0,0|1,0,0]=3 468 B10R1.25 COC1=C(N)C=C(N)C=C1 CS21066 [1,1,0,0,0,0|1,0,0]=3 469 B10R1.25 COC1=C(O)C=C(C)C=C1 MC442401 [1,1,0,0,0,0|0,0,0]=2 470 B10R1.25 COC1=C(O)C=C(Cl)C=C1 MC442017 [1,1,0,0,0,0|1,0,0]=3 471 B10R1.25 COC1=C(O)C=C(F)C=C1 CS15779 [1,1,0,0,0,0|1,0,0]=3 472 B10R1.25 COC1=CC=C(Br)N=C1F MC425103 [1,1,0,0,0,0|2,0,0]=4 473 B10R1.25 COC1=CN=C(Br)C=C1N MC432419 [1,1,0,0,0,0|2,0,0]=4 474 B10R1.25 COC1=CN=C(C)C=C1Br MC431792 [1,1,0,0,0,0|1,0,0]=3 475 B10R1.25 COC1=CN=C(C)C=C1N MC431793 [1,1,0,0,0,0|1,0,0]=3 476 B10R1.25 COC1=CN=C(C)N=C1C CS16889 [1,1,0,0,0,0|2,0,0]=4 477 B10R1.25 COC1=CN=C(Cl)C=C1Br MC431572 [1,1,0,0,0,0|2,0,0]=4 478 B10R1.25 COC1=CN=C(Cl)C=C1I MC431710 [1,1,0,0,0,0|2,0,0]=4 479 B10R1.25 COC1=CN=C(Cl)C=C1N MC103245 [1,1,0,0,0,0|2,0,0]=4 480 B10R1.25 COC1=CN=C(N)C=C1Cl MC103569 [1,1,0,0,0,0|2,0,0]=4 481 B10R1.25 COC1=CN=C(O)N=C1O CS18000 [1,1,0,0,0,0|2,0,0]=4 482 B10R1.25 COC1=NC=C(Br)C=C1Br CS18704 [1,1,0,0,0,0|2,0,0]=4 483 B10R1.25 COC1=NC=C(Br)C=C1C CS17558 [1,1,0,0,0,0|2,0,0]=4 484 B10R1.25 COC1=NC=C(Br)C=C1Cl CS19358 [1,1,0,0,0,0|2,0,0]=4 485 B10R1.25 COC1=NC=C(Br)C=C1F CS17560 [1,1,0,0,0,0|2,0,0]=4 486 B10R1.25 COC1=NC=C(Br)C=C1N CS17340 [1,1,0,0,0,0|2,0,0]=4 487 B10R1.25 COC1=NC=C(C)C=C1Br CS12715 [1,1,0,0,0,0|1,0,0]=3 488 B10R1.25 COC1=NC=C(C)N=C1C CS15176 [1,1,0,0,0,0|2,0,0]=4 489 B10R1.25 COC1=NC=C(Cl)C=C1Br CS17800 [1,1,0,0,0,0|2,0,0]=4 490 B10R1.25 COC1=NC=C(Cl)C=C1I MC432522 [1,1,0,0,0,0|2,0,0]=4 491 B10R1.25 COC1=NC=C(F)C=C1Br CS19396 [1,1,0,0,0,0|2,0,0]=4 492 B10R1.25 COC1=NC=C(F)C=C1C MC431991 [1,1,0,0,0,0|2,0,0]=4 493 B10R1.25 COC1=NC=C(F)C=C1O MC431711 [1,1,0,0,0,0|2,0,0]=4 494 B10R1.25 COC1=NC=C(N)C=C1Br MC20010 [1,1,0,0,0,0|2,0,0]=4 495 B10R1.25 COC1=[N+]([O-])C=C(F)C=C1 MC110903 [1,1,0,0,0,0|2,0,0]=4 496 B10R1.25 CSC1=C(Br)C=C(Cl)C=C1 MC428294 [1,1,0,0,0,0|1,1,0]=4 497 B10R1.25 CSC1=C(C)C=C(O)C=C1 MC20571 [1,1,0,0,0,0|0,1,0]=3 498 B10R1.25 CSC1=C(F)C=C(F)C=C1 MC430845 [1,1,0,0,0,0|1,1,0]=4 499 B10R1.25 CSC1=C(F)C=C(O)C=C1 MC431554 [1,1,0,0,0,0|0,1,0]=3 500 B10R1.25 N#CC1=C(Cl)C=C(O)C=C1 MC20251 [1,1,0,0,0,0|2,0,0]=4 501 B10R1.25 N#CC1=C(F)C=C(O)C=C1 CS20032 [1,1,0,0,0,0|2,0,0]=4 502 B10R1.25 N#CC1=C(I)C=C(O)C=C1 MC111940 [1,1,0,0,0,0|2,0,0]=4 503 B10R1.25 N#CC1=C(O)C=C(O)C=C1 MC10369 [1,1,0,0,0,0|2,0,0]=4 504 B10R1.25 O=CC1=C(Br)C=C(O)C=C1 CS16052 [1,1,0,0,0,0|2,0,0]=4 505 B10R1.25 O=CC1=C(Cl)C=C(O)C=C1 CS10340 [1,1,0,0,0,0|2,0,0]=4 506 B10R1.25 O=CC1=C(F)C=C(O)C=C1 CS10365 [1,1,0,0,0,0|2,0,0]=4 507 B10R1.25 O=CC1=C(I)C=C(O)C=C1 CS16844 [1,1,0,0,0,0|2,0,0]=4 508 B10R1.25 O=CC1=C(O)C=C(O)C=C1 CS19428 [1,1,0,0,0,0|2,0,0]=4 509 B10R1.25 OCC1=C(F)C=C(O)C=C1 CS13215 [1,1,0,0,0,0|2,0,0]=4 510 B10R1.176 CC1=C(Br)C=C(C#N)C=C1 MC40627 [1,1,0,0,0,0|2,0,0]=4 511 B10R1.176 CC1=C(Br)C=C(C=O)C=C1 MC41096 [1,1,0,0,0,0|2,0,0]=4 512 B10R1.176 CC1=C(Br)C=C(CBr)C=C1 CS16721 [1,1,0,0,0,0|2,0,0]=4 513 B10R1.176 CC1=C(Br)C=C(CO)C=C1 MC33229 [1,1,0,0,0,0|2,0,0]=4 514 B10R1.176 CC1=C(C)C=C(C#N)C=C1 MC40653 [1,1,0,0,0,0|2,0,0]=4 515 B10R1.176 CC1=C(C)C=C(C=O)C=C1 MC33166 [1,1,0,0,0,0|2,0,0]=4 516 B10R1.176 CC1=C(C)C=C(CBr)C=C1 CS14390 [1,1,0,0,0,0|2,0,0]=4 517 B10R1.176 CC1=C(C)C=C(CN)C=C1 MC40823 [1,1,0,0,0,0|2,0,0]=4 518 B10R1.176 CC1=C(C)C=C(CO)C=C1 MC40706 [1,1,0,0,0,0|2,0,0]=4 519 B10R1.176 CC1=C(C)C=C(NN)C=C1 CS20502 [1,1,0,0,0,0|2,0,0]=4 520 B10R1.176 CC1=C(Cl)C=C(C=O)C=C1 MC433130 [1,1,0,0,0,0|2,0,0]=4 521 B10R1.176 CC1=C(Cl)C=C(CN)C=C1 MC433895 [1,1,0,0,0,0|2,0,0]=4 522 B10R1.176 CC1=C(F)C=C(C#N)C=C1 CS21928 [1,1,0,0,0,0|2,0,0]=4 523 B10R1.176 CC1=C(F)C=C(C=O)C=C1 MC33065 [1,1,0,0,0,0|2,0,0]=4 524 B10R1.176 CC1=C(F)C=C(NN)C=C1 CS22289 [1,1,0,0,0,0|2,0,0]=4 525 B10R1.176 CC1=C(N)C=C(C#N)C=C1 CS15246 [1,1,0,0,0,0|2,0,0]=4 526 B10R1.176 CC1=C(O)C=C(C#N)C=C1 CS10986 [1,1,0,0,0,0|2,0,0]=4 527 B10R1.176 CC1=C(O)C=C(C=O)C=C1 MC41122 [1,1,0,0,0,0|2,0,0]=4 528 B10R1.176 CC1=C(O)C=CC(C#N)=C1 CS17416 [1,1,0,0,0,0|2,0,0]=4 529 B10R1.176 CC1=C(O)C=CC(C=O)=C1 CS20934 [1,1,0,0,0,0|2,0,0]=4 530 B10R1.176 CC1=C(O)C=CC(CN)=C1 MC445599 [1,1,0,0,0,0|2,0,0]=4 531 B10R1.176 CCC1=CC(N)=C(O)C=C1 MC442496 [1,1,0,0,0,0|1,0,0]=3 532 B10R1.176 CCC1=CC(O)=C(Cl)C=C1 MC432619 [1,1,0,0,0,0|2,0,0]=4 533 B10R1.176 CCC1=CC(O)=C(N)C=C1 CS16266 [1,1,0,0,0,0|2,0,0]=4 534 B10R1.176 CCC1=CC=C(O)C(O)=C1 MC441226 [1,1,0,0,0,0|1,0,0]=3 535 B10R1.176 CNC1=CC(Cl)=C(Cl)C=C1 MC433301 [1,1,0,0,0,0|2,0,0]=4 536 B10R1.176 COC1=CC(Br)=C(Br)C=C1 MC433376 [1,1,0,0,0,0|1,0,0]=3 537 B10R1.176 COC1=CC(Br)=C(Br)C=C1 MC442365 [1,1,0,0,0,0|1,0,0]=3 538 B10R1.176 COC1=CC(Br)=C(C)C=C1 CS16376 [1,1,0,0,0,0|0,0,0]=2 539 B10R1.176 COC1=CC(Br)=C(Cl)C=C1 MC433350 [1,1,0,0,0,0|1,0,0]=3 540 B10R1.176 COC1=CC(Br)=C(F)C=C1 CS15238 [1,1,0,0,0,0|1,0,0]=3 541 B10R1.176 COC1=CC(Br)=C(N)C=C1 CS21359 [1,1,0,0,0,0|1,0,0]=3 542 B10R1.176 COC1=CC(Br)=C(O)C=C1 MC30339 [1,1,0,0,0,0|0,0,0]=2 543 B10R1.176 COC1=CC(Br)=C(O)C=C1 MC41160 [1,1,0,0,0,0|0,0,0]=2 544 B10R1.176 COC1=CC(C)=C(Br)C=C1 MC33099 [1,1,0,0,0,0|1,0,0]=3 545 B10R1.176 COC1=CC(C)=C(N)C=C1 CS13421 [1,1,0,0,0,0|1,0,0]=3 546 B10R1.176 COC1=CC(C)=C(N)C=N1 CS19252 [1,1,0,0,0,0|2,0,0]=4 547 B10R1.176 COC1=CC(C)=C(O)C=C1 CS15470 [1,1,0,0,0,0|0,0,0]=2 548 B10R1.176 COC1=CC(Cl)=C(Br)C=C1 CS14601 [1,1,0,0,0,0|1,0,0]=3 549 B10R1.176 COC1=CC(Cl)=C(C)C=C1 MC41331 [1,1,0,0,0,0|0,0,0]=2 550 B10R1.176 COC1=CC(Cl)=C(Cl)C=C1 MC41335 [1,1,0,0,0,0|1,0,0]=3 551 B10R1.176 COC1=CC(Cl)=C(I)C=C1 MC442237 [1,1,0,0,0,0|1,0,0]=3 552 B10R1.176 COC1=CC(Cl)=C(N)C=C1 CS14656 [1,1,0,0,0,0|1,0,0]=3 553 B10R1.176 COC1=CC(Cl)=C(O)C=C1 CS20293 [1,1,0,0,0,0|0,0,0]=2 554 B10R1.176 COC1=CC(F)=C(Br)C=C1 CS10396 [1,1,0,0,0,0|1,0,0]=3 555 B10R1.176 COC1=CC(F)=C(C)C=C1 CS10872 [1,1,0,0,0,0|0,0,0]=2 556 B10R1.176 COC1=CC(F)=C(Cl)C=C1 MC33148 [1,1,0,0,0,0|1,0,0]=3 557 B10R1.176 COC1=CC(F)=C(N)C=C1 MC40916 [1,1,0,0,0,0|1,0,0]=3 558 B10R1.176 COC1=CC(F)=C(N)C=C1 MC433345 [1,1,0,0,0,0|1,0,0]=3 559 B10R1.176 COC1=CC(F)=C(O)C=C1 MC441061 [1,1,0,0,0,0|0,0,0]=2 560 B10R1.176 COC1=CC(I)=C(Br)C=C1 MC433361 [1,1,0,0,0,0|1,0,0]=3 561 B10R1.176 COC1=CC(I)=C(N)C=C1 MC20577 [1,1,0,0,0,0|1,0,0]=3 562 B10R1.176 COC1=CC(N)=C(Br)C=C1 CS18386 [1,1,0,0,0,0|1,0,0]=3 563 B10R1.176 COC1=CC(N)=C(C)C=C1 CS14868 [1,1,0,0,0,0|0,0,0]=2 564 B10R1.176 COC1=CC(N)=C(Cl)C=C1 CS13990 [1,1,0,0,0,0|1,0,0]=3 565 B10R1.176 COC1=CC(N)=C(F)C=C1 CS12726 [1,1,0,0,0,0|1,0,0]=3 566 B10R1.176 COC1=CC(N)=C(I)C=C1 CS15023 [1,1,0,0,0,0|1,0,0]=3 567 B10R1.176 COC1=CC(N)=C(I)C=C1 MC30213 [1,1,0,0,0,0|1,0,0]=3 568 B10R1.176 COC1=CC(N)=C(N)C=C1 MC433373 [1,1,0,0,0,0|1,0,0]=3 569 B10R1.176 COC1=CC(N)=C(O)C=C1 CS21254 [1,1,0,0,0,0|0,0,0]=2 570 B10R1.176 COC1=CC(O)=C(Br)C=C1 CS21376 [1,1,0,0,0,0|1,0,0]=3 571 B10R1.176 COC1=CC(O)=C(Cl)C=C1 MC442395 [1,1,0,0,0,0|1,0,0]=3 572 B10R1.176 COC1=CC(O)=C(F)C=C1 MC430013 [1,1,0,0,0,0|1,0,0]=3 573 B10R1.176 COC1=CC(O)=C(N)C=C1 CS21584 [1,1,0,0,0,0|1,0,0]=3 574 B10R1.176 COC1=CC=C(Br)C(Br)=N1 MC427562 [1,1,0,0,0,0|2,0,0]=4 575 B10R1.176 COC1=CC=C(Br)C(C)=N1 CS13578 [1,1,0,0,0,0|2,0,0]=4 576 B10R1.176 COC1=CC=C(Br)C(F)=N1 MC431237 [1,1,0,0,0,0|2,0,0]=4 577 B10R1.176 COC1=CC=C(Br)C(N)=N1 MC427400 [1,1,0,0,0,0|2,0,0]=4 578 B10R1.176 COC1=CC=C(Cl)C(Br)=N1 MC443794 [1,1,0,0,0,0|2,0,0]=4 579 B10R1.176 COC1=CC=C(Cl)C(C)=N1 MC33479 [1,1,0,0,0,0|2,0,0]=4 580 B10R1.176 COC1=CC=C(Cl)C(N)=N1 CS13810 [1,1,0,0,0,0|2,0,0]=4 581 B10R1.176 COC1=CC=C(N)C(Br)=N1 CS13635 [1,1,0,0,0,0|2,0,0]=4 582 B10R1.176 COC1=CC=C(N)C(C)=N1 CS19107 [1,1,0,0,0,0|2,0,0]=4 583 B10R1.176 COC1=CC=C(N)C(C)=N1 MC20014 [1,1,0,0,0,0|2,0,0]=4 584 B10R1.176 COC1=CC=C(N)C(Cl)=N1 CS21484 [1,1,0,0,0,0|2,0,0]=4 585 B10R1.176 COC1=CC=C(O)C(O)=C1 MC442392 [1,1,0,0,0,0|0,0,0]=2 586 B10R1.176 COC1=CN=C(Br)C(N)=C1 CS12413 [1,1,0,0,0,0|2,0,0]=4 587 B10R1.176 COC1=CN=C(C)C(Br)=C1 MC104304 [1,1,0,0,0,0|1,0,0]=3 588 B10R1.176 COC1=CN=C(Cl)C(N)=C1 CS15129 [1,1,0,0,0,0|2,0,0]=4 589 B10R1.176 COC1=CN=C(N)C(C)=C1 MC110629 [1,1,0,0,0,0|2,0,0]=4 590 B10R1.176 COC1=CN=C(N)C(F)=C1 MC432577 [1,1,0,0,0,0|2,0,0]=4 591 B10R1.176 COC1=NC(C)=C(F)C=C1 MC20372 [1,1,0,0,0,0|2,0,0]=4 592 B10R1.176 COC1=NC=C(Br)C(C)=C1 MC20371 [1,1,0,0,0,0|2,0,0]=4 593 B10R1.176 COC1=NC=C(Br)C(Cl)=C1 CS12897 [1,1,0,0,0,0|2,0,0]=4 594 B10R1.176 COC1=NC=C(Cl)C(Br)=C1 MC443329 [1,1,0,0,0,0|2,0,0]=4 595 B10R1.176 COC1=NC=C(F)C(Br)=C1 MC430405 [1,1,0,0,0,0|2,0,0]=4 596 B10R1.176 COC1=NC=C(F)C(N)=C1 MC110902 [1,1,0,0,0,0|2,0,0]=4 597 B10R1.176 CSC1=CC(F)=C(Br)C=C1 MC41376 [1,1,0,0,0,0|1,1,0]=4 598 B10R1.176 N#CC1=CC(Br)=C(O)C=C1 CS10311 [1,1,0,0,0,0|2,0,0]=4 599 B10R1.176 N#CC1=CC(Cl)=C(O)C=C1 CS18887 [1,1,0,0,0,0|2,0,0]=4 600 B10R1.176 N#CC1=CC(F)=C(O)C=C1 CS14303 [1,1,0,0,0,0|2,0,0]=4 601 B10R1.176 N#CC1=CC(N)=C(O)C=C1 CS21247 [1,1,0,0,0,0|2,0,0]=4 602 B10R1.176 N#CC1=CC(O)=C(O)C=C1 MC20147 [1,1,0,0,0,0|2,0,0]=4 603 B10R1.176 NCC1=CC(O)=C(O)C=C1 MC425646 [1,1,0,0,0,0|2,0,0]=4 604 B10R1.176 O=CC1=CC(Br)=C(O)C=C1 MC20184 [1,1,0,0,0,0|2,0,0]=4 605 B10R1.176 O=CC1=CC(F)=C(O)C=C1 CS10367 [1,1,0,0,0,0|2,0,0]=4 606 B10R1.176 O=CC1=CC(I)=C(O)C=C1 MC429971 [1,1,0,0,0,0|2,0,0]=4 607 B10R1.176 O=CC1=CC(O)=C(O)C=C1 CS18720 [1,1,0,0,0,0|2,0,0]=4 608 B10R1.176 OCC1=CC(Br)=C(O)C=C1 CS21356 [1,1,0,0,0,0|2,0,0]=4 609 B12R1.5 CCC(=O)C1=CC=C(CC)C=C1 MC433261 [0,2,0,0,0,0|2,0,0]=4 610 B12R1.5 CCC1=CC=C(C(=O)CBr)C=C1 MC442572 [0,2,0,0,0,0|2,0,0]=4 611 B12R1.5 COC(=O)C1=CC=C(C#N)C=C1 CS22286 [0,2,0,0,0,0|2,0,0]=4 612 B12R1.5 COC(=O)C1=CC=C(C=O)C=C1 CS21634 [0,2,0,0,0,0|2,0,0]=4 613 B12R1.5 COC(=O)C1=CC=C(CBr)C=C1 CS21991 [0,2,0,0,0,0|2,0,0]=4 614 B12R1.5 COC(=O)C1=CC=C(CN)C=C1 CS18814 [0,2,0,0,0,0|2,0,0]=4 615 B12R1.5 COC(=O)C1=CC=C(OC)C=C1 CS18683 [0,2,0,0,0,0|0,0,0]=2 616 B12R1.5 COC(=O)C1=CN=C(OC)C=C1 CS10880 [0,2,0,0,0,0|1,0,0]=3 617 B12R1.5 COC(=O)C1=NC=C(OC)N=C1 MC110953 [0,2,0,0,0,0|2,0,0]=4 618 B12R1.5 COC1=CC=C(C(=O)CCl)C=C1 MC41239 [0,2,0,0,0,0|1,0,0]=3 619 B12R1.5 COC1=CC=C(C(=O)CN)C=C1 CS21179 [0,2,0,0,0,0|1,0,0]=3 620 B12R1.5 COC1=CC=C(C(O)CN)C=C1 MC431260 [0,2,0,0,0,0|1,0,0]=3 621 B12R1.6 COC1=CC=C(C(C)(C)C)C=C1 MC41350 [0,2,0,0,0,0|1,0,0]=3 622 B12R1.6 COC1=CC=C(C(F)(F)F)C=C1 CS22476 [0,2,0,0,0,0|2,0,0]=4 623 B12R1.6 COC1=CC=C(S(=O)(=O)Cl)C=C1 CS20296 [0,2,0,0,0,0|1,1,0]=4 624 B12R1.48 COC1=C(Br)C=C(C(C)=O)C=C1 CS11019 [0,2,0,0,0,0|1,0,0]=3 625 B12R1.48 COC1=C(Br)C=C(C(C)N)C=C1 MC112069 [0,2,0,0,0,0|1,0,0]=3 626 B12R1.48 COC1=C(Br)C=C([N+](=O)[O-])C=C1 MC41322 [0,2,0,0,0,0|2,0,0]=4 627 B12R1.48 COC1=C(C)C=C(B(O)O)C=C1 MC442901 [0,2,0,0,0,0|2,0,0]=4 628 B12R1.48 COC1=C(C)C=C(C(=O)O)C=C1 MC30268 [0,2,0,0,0,0|2,0,0]=4 629 B12R1.48 COC1=C(C)C=C(C(C)=O)C=C1 MC41263 [0,2,0,0,0,0|1,0,0]=3 630 B12R1.48 COC1=C(C)C=C([N+](=O)[O-])C=C1 MC433395 [0,2,0,0,0,0|2,0,0]=4 631 B12R1.48 COC1=C(Cl)C=C(B(O)O)C=C1 MC441429 [0,2,0,0,0,0|2,0,0]=4 632 B12R1.48 COC1=C(Cl)C=C(C(=O)O)C=C1 MC30277 [0,2,0,0,0,0|2,0,0]=4 633 B12R1.48 COC1=C(Cl)C=C([N+](=O)[O-])C=C1 CS20211 [0,2,0,0,0,0|2,0,0]=4 634 B12R1.48 COC1=C(F)C=C(B(O)O)C=C1 CS21926 [0,2,0,0,0,0|2,0,0]=4 635 B12R1.48 COC1=C(F)C=C(C(=O)Cl)C=C1 MC40477 [0,2,0,0,0,0|2,0,0]=4 636 B12R1.48 COC1=C(F)C=C(C(=O)O)C=C1 MC30258 [0,2,0,0,0,0|2,0,0]=4 637 B12R1.48 COC1=C(F)C=C(C(C)=O)C=N1 MC429308 [0,2,0,0,0,0|2,0,0]=4 638 B12R1.48 COC1=C(F)C=C([N+](=O)[O-])C=C1 MC33142 [0,2,0,0,0,0|2,0,0]=4 639 B12R1.48 COC1=C(I)C=C([N+](=O)[O-])C=C1 MC41344 [0,2,0,0,0,0|2,0,0]=4 640 B12R1.48 COC1=C(N)C=C(B(O)O)C=C1 MC441496 [0,2,0,0,0,0|2,0,0]=4 641 B12R1.48 COC1=C(N)C=C(C(=O)O)C=C1 MC40229 [0,2,0,0,0,0|2,0,0]=4 642 B12R1.48 COC1=C(N)C=C(C(C)C)C=C1 MC106490 [0,2,0,0,0,0|1,0,0]=3 643 B12R1.48 COC1=C(N)C=C([N+](=O)[O-])C=C1 CS15591 [0,2,0,0,0,0|2,0,0]=4 644 B12R1.48 COC1=C(N)C=C([N+](=O)[O-])C=C1 MC40927 [0,2,0,0,0,0|2,0,0]=4 645 B12R1.48 COC1=C(O)C=C(B(O)O)C=C1 MC113665 [0,2,0,0,0,0|2,0,0]=4 646 B12R1.48 COC1=C(O)C=C(C(=O)O)C=C1 CS10864 [0,2,0,0,0,0|2,0,0]=4 647 B12R1.48 COC1=C(O)C=C(C(C)=O)C=C1 CS22927 [0,2,0,0,0,0|1,0,0]=3 648 B12R1.48 COC1=C(O)C=C([N+](=O)[O-])C=C1 CS15430 [0,2,0,0,0,0|2,0,0]=4 649 B12R1.48 COc1ccc(C(C)=O)cc1F MC30259 [0,2,0,0,0,0|1,0,0]=3 650 B12R1.113 CC(=O)C1=CC=C(CCBr)C=C1 CS10009 [0,2,0,0,0,0|2,0,0]=4 651 B12R1.113 CCOC1=CC=C(B(O)O)C=C1 CS20470 [0,2,0,0,0,0|2,0,0]=4 652 B12R1.113 CCOC1=CC=C(C(=O)Cl)C=C1 MC20583 [0,2,0,0,0,0|2,0,0]=4 653 B12R1.113 CCOC1=CC=C(C(=O)O)C=C1 MC433673 [0,2,0,0,0,0|2,0,0]=4 654 B12R1.113 CCOC1=CC=C(C(C)=O)C=C1 MC33060 [0,2,0,0,0,0|1,0,0]=3 655 B12R1.113 CN(C)C1=CC=C(CCO)C=C1 CS22462 [0,2,0,0,0,0|2,0,0]=4 656 B12R1.113 COCC1=CC=C(B(O)O)C=C1 MC431182 [0,2,0,0,0,0|2,0,0]=4 657 B12R1.113 COCC1=CC=C(C(=O)O)C=C1 MC40299 [0,2,0,0,0,0|2,0,0]=4 658 B12R1.256 CC(=O)C1=CC=C(N(C)C)C=C1 CS10026 [0,2,0,0,0,0|2,0,0]=4 659 B12R1.452 COC1=CC(Br)=C(C(=O)O)C=C1 CS13221 [0,2,0,0,0,0|2,0,0]=4 660 B12R1.452 COC1=CC(Br)=C(C(=O)O)C=C1 MC433140 [0,2,0,0,0,0|2,0,0]=4 661 B12R1.452 COC1=CC(C)=C(B(O)O)C=C1 CS20472 [0,2,0,0,0,0|2,0,0]=4 662 B12R1.452 COC1=CC(C)=C(C(=O)O)C=C1 MC40302 [0,2,0,0,0,0|2,0,0]=4 663 B12R1.452 COC1=CC(C)=C([N+](=O)[O-])C=C1 MC433393 [0,2,0,0,0,0|2,0,0]=4 664 B12R1.452 COC1=CC(Cl)=C(B(O)O)C=C1 MC442037 [0,2,0,0,0,0|2,0,0]=4 665 B12R1.452 COC1=CC(Cl)=C(C(=O)O)C=C1 CS13952 [0,2,0,0,0,0|2,0,0]=4 666 B12R1.452 COC1=CC(F)=C(B(O)O)C=C1 CS20355 [0,2,0,0,0,0|2,0,0]=4 667 B12R1.452 COC1=CC(F)=C(C(=O)O)C=C1 CS14142 [0,2,0,0,0,0|2,0,0]=4 668 B12R1.452 COC1=CC(F)=C(C(=O)O)C=C1 MC433683 [0,2,0,0,0,0|2,0,0]=4 669 B12R1.452 COC1=CC(F)=C(C(C)=O)C=C1 CS21695 [0,2,0,0,0,0|1,0,0]=3 670 B12R1.452 COC1=CC(F)=C([N+](=O)[O-])C=C1 CS20229 [0,2,0,0,0,0|2,0,0]=4 671 B12R1.452 COC1=CC(I)=C(C(=O)O)C=C1 CS16838 [0,2,0,0,0,0|2,0,0]=4 672 B12R1.452 COC1=CC(I)=C([N+](=O)[O-])C=C1 MC433392 [0,2,0,0,0,0|2,0,0]=4 673 B12R1.452 COC1=CC(N)=C(C(=O)O)C=C1 CS18303 [0,2,0,0,0,0|2,0,0]=4 674 B12R1.452 COC1=CC(N)=C(C(N)=O)C=C1 MC111104 [0,2,0,0,0,0|2,0,0]=4 675 B12R1.452 COC1=CC(N)=C([N+](=O)[O-])C=C1 CS20388 [0,2,0,0,0,0|2,0,0]=4 676 B12R1.452 COC1=CC(O)=C(C(C)=O)C=C1 MC20161 [0,2,0,0,0,0|1,0,0]=3 677 B12R1.452 COC1=CC(O)=C([N+](=O)[O-])C=C1 CS20341 [0,2,0,0,0,0|2,0,0]=4 678 B12R1.4 CC(=O)OC1=CC=C(C=O)C=C1 MC40005 [0,2,0,0,0,0|2,0,0]=4 679 B12R1.4 CCC1=CC=C(CC(C)=O)C=C1 MC20892 [0,2,0,0,0,0|2,0,0]=4 680 B12R1.4 COC1=CC=C(CC(=O)O)C=C1 CS13446 [0,2,0,0,0,0|1,0,1]=4 681 B12R1.4 COC1=CC=C(CC(C)=O)C=C1 CS11110 [0,2,0,0,0,0|1,0,0]=3 682 B12R1.4 COC1=CC=C(NC(C)=O)C=C1 MC427407 [0,2,0,0,0,0|1,0,0]=3 683 B12R1.4 COC1=CC=C(NC(C)=S)C=C1 MC427413 [0,2,0,0,0,0|1,0,0]=3 684 B12R1.4 COC1=CC=C(OC(=O)Cl)C=C1 MC40014 [0,2,0,0,0,0|0,0,1]=3 685 B12R1.4 FC(F)OC1=CC=C(CBr)C=C1 MC33111 [0,2,0,0,0,0|2,0,0]=4 686 B12R1.4 N#CC1=CC=C(OC(F)F)C=C1 MC40644 [0,2,0,0,0,0|2,0,0]=4 687 B12R1.4 NCC1=CC=C(OC(F)F)C=C1 MC40819 [0,2,0,0,0,0|2,0,0]=4 688 B12R1.4 O=CC1=CC=C(OC(F)F)C=C1 CS15818 [0,2,0,0,0,0|2,0,0]=4 689 B12R1.4 OCC1=CC=C(OC(F)F)C=C1 MC40703 [0,2,0,0,0,0|2,0,0]=4 690 B12R1.71 CCC#CC1=CC=C(OC)C=C1 MC103263 [0,2,0,0,0,0|1,0,0]=3 691 B12R1.71 O=CC1=CC=C(OCCCl)C=C1 MC41102 [0,2,0,0,0,0|2,0,0]=4 692 B12R1.114 COC1=CC(Cl)=C(CC#N)C=C1 MC20596 [0,2,0,0,0,0|1,0,1]=4 693 B12R1.116 CCOC1=CC=C(CC#N)C=C1 MC433951 [0,2,0,0,0,0|1,0,1]=4 694 B12R1.116 COCC1=CC=C(COC)C=C1 MC444622 [0,2,0,0,0,0|0,0,0]=2 695 B12R1.288 CCOC1=CC(F)=C(C=O)C=C1 CS16789 [0,2,0,0,0,0|2,0,0]=4 696 B12R1.288 CCOC1=CC(F)=C(CN)C=C1 MC112578 [0,2,0,0,0,0|2,0,0]=4 697 B12R1.288 CCOC1=CC(O)=C(C=O)C=C1 MC21025 [0,2,0,0,0,0|2,0,0]=4 698 B12R1.288 COC1=C(C)C=C(CCN)C=N1 MC111257 [0,2,0,0,0,0|2,0,0]=4 699 B12R1.288 COC1=C(F)C=C(CC#N)C=C1 CS14302 [0,2,0,0,0,0|1,0,1]=4 700 B12R1.288 COC1=C(O)C=C(CCN)C=C1 MC20884 [0,2,0,0,0,0|1,0,0]=3 701 B12R1.78 C#CC1=CC(OC)=C(OC)C=C1 MC106594 [0,2,0,0,0,0|1,0,1]=4 702 B12R1.78 COC1=C(C=O)C=C(C#N)C=C1 MC430926 [0,2,0,0,0,0|2,0,0]=4 703 B12R1.78 COC1=C(OC)C=C(C#N)C=C1 MC40649 [0,2,0,0,0,0|2,0,0]=4 704 B12R1.78 COC1=C(OC)C=C(C=O)C=C1 MC10449 [0,2,0,0,0,0|2,0,0]=4 705 B12R1.78 COC1=C(OC)C=C(CBr)C=C1 CS21945 [0,2,0,0,0,0|2,0,0]=4 706 B12R1.78 COC1=C(OC)C=C(CCl)C=C1 MC10289 [0,2,0,0,0,0|2,0,0]=4 707 B12R1.78 COC1=C(OC)C=C(CO)C=C1 CS19420 [0,2,0,0,0,0|2,0,0]=4 708 B12R1.78 COC1=C(OC)C=C(NN)C=C1 MC40996 [0,2,0,0,0,0|2,0,0]=4 709 B12R1.78 COC1=CC(C#N)=C(C=O)C=C1 CS21530 [0,2,0,0,0,0|2,0,0]=4 710 B12R1.78 COC1=CC(C#N)=C(OC)C=C1 MC40648 [0,2,0,0,0,0|0,0,0]=2 711 B12R1.78 COC1=CC(C=O)=C(OC)C=C1 MC20085 [0,2,0,0,0,0|0,0,0]=2 712 B12R1.78 COC1=CC(OC)=C(C#N)C=C1 MC433125 [0,2,0,0,0,0|2,0,0]=4 713 B12R1.78 COC1=CC(OC)=C(C=O)C=C1 CS15286 [0,2,0,0,0,0|2,0,0]=4 714 B12R1.78 COC1=CC(OC)=C(CCl)C=C1 MC10526 [0,2,0,0,0,0|2,0,0]=4 715 B12R1.78 COC1=CC(OC)=C(CN)C=C1 CS15120 [0,2,0,0,0,0|2,0,0]=4 716 B12R1.78 COC1=CC(OC)=C(CO)C=C1 CS21200 [0,2,0,0,0,0|2,0,0]=4 717 B12R1.78 COC1=CC(OC)=C(OC)C=C1 CS18710 [0,2,0,0,0,0|0,0,0]=2 718 B12R1.301 COC1=C(C)C=C(C#N)C=C1C MC433774 [0,2,0,0,0,0|2,0,0]=4 719 B12R1.301 COC1=C(Cl)C=C(C=O)C=C1Cl MC30111 [0,2,0,0,0,0|2,0,0]=4 720 B12R1.301 COC1=C(F)C=C(C#N)C=C1F MC40647 [0,2,0,0,0,0|2,0,0]=4 721 B12R1.301 COC1=CC(Cl)=C(C#N)C(Cl)=C1 MC433766 [0,2,0,0,0,0|2,0,0]=4 722 B12R1.301 COC1=CC(Cl)=C(C=O)C(Cl)=C1 MC433430 [0,2,0,0,0,0|2,0,0]=4 723 B12R1.301 COC1=CC(F)=C(C#N)C(F)=C1 MC433770 [0,2,0,0,0,0|2,0,0]=4 724 B12R1.301 COC1=CC(F)=C(C=O)C(F)=C1 CS20740 [0,2,0,0,0,0|2,0,0]=4 725 B12R1.450 COC1=CC(Br)=C(C=O)C=C1O CS10777 [0,2,0,0,0,0|2,0,0]=4 726 B12R1.450 COC1=CC(Br)=C(OC)C=C1Br MC33097 [0,2,0,0,0,0|0,0,0]=2 727 B12R1.450 COC1=CC(F)=C(C#N)C=C1F MC40646 [0,2,0,0,0,0|2,0,0]=4 728 B12R1.450 COC1=CC(F)=C(CN)C=C1F MC432604 [0,2,0,0,0,0|2,0,0]=4 729 B12R1.450 COC1=CC(I)=C(OC)C=C1I CS20540 [0,2,0,0,0,0|0,0,0]=2 730 B12R1.653 COC1=C(Br)C(Br)=C(OC)C=C1 MC20620 [0,2,0,0,0,0|0,0,0]=2 731 B12R1.653 COC1=C(F)C(F)=C(C#N)C=C1 MC433120 [0,2,0,0,0,0|2,0,0]=4 732 B12R1.653 COC1=C(O)C(Cl)=C(C=O)C=C1 MC41104 [0,2,0,0,0,0|2,0,0]=4 733 B10R1.2 COC1=C(C)C(C)=CC=C1 MC20206 [0,0,1,1,0,0|1,0,1]=4 734 B10R1.2 COC1=C(N)C(C)=CC=C1 MC427399 [0,0,1,1,0,0|2,0,0]=4 735 B12R2.44 COC1=CC2=C(C=C1)N=CN2 MC425785 [0,1,0,1,0,0|1,0,1]=4 736 B12R2.44 COC1=CC2=C(C=C1)N=CS2 CS10718 [0,1,0,1,0,0|1,0,1]=4 737 B12R2.44 COC1=CC2=C(C=C1)ON=C2 CS10418 [0,1,0,1,0,0|0,0,1]=3 738 B12R2.44 COC1=CC2=C(C=C1)SC=C2 MC111400 [0,1,0,1,0,0|0,1,1]=4 739 B12R2.44 COC1=CC2=C(C=CO2)C=C1 CS16497 [0,1,0,1,0,0|1,0,1]=4 740 B12R2.44 COC1=CC2=C(C=CS2)C=C1 CS16120 [0,1,0,1,0,0|1,0,1]=4 741 B12R2.44 COC1=CC=C2C=CNC2=C1 MC20057 [0,1,0,1,0,0|1,0,1]=4 742 B12R2.44 COC1=CC=C2C=NNC2=C1 MC425259 [0,1,0,1,0,0|2,0,0]=4 743 B12R2.44 COC1=CC=C2CCNC2=C1 MC20447 [0,1,0,1,0,0|1,0,0]=3 744 B12R2.44 COC1=CC=C2CNCC2=C1 CS12707 [0,1,0,1,0,0|1,0,0]=3 745 B12R2.44 COC1=CC=C2CNCC2=C1 MC100224 [0,1,0,1,0,0|1,0,0]=3 746 B12R2.44 COC1=CC=C2NC=CC2=C1 CS22068 [0,1,0,1,0,0|1,0,1]=4 747 B12R2.44 COC1=CC=C2NCCC2=C1 CS17324 [0,1,0,1,0,0|1,0,0]=3 748 B12R2.44 COC1=CC=C2NN=CC2=C1 MC425643 [0,1,0,1,0,0|1,0,1]=4 749 B12R2.44 O=CC1=CC2=C(C=C1)OCC2 CS21622 [0,1,0,1,0,0|2,0,0]=4 750 B12R2.44 OCC1=CC2=C(C=C1)OCO2 MC40722 [0,1,0,1,0,0|2,0,0]=4 751 B10R1.172 CNC1=CC=CC(NC)=C1 MC40949 [0,0,0,0,1,1|2,0,0]=4 752 B10R1.172 COC1=CC(C#N)=NC=C1 MC425709 [0,0,0,0,1,1|2,0,0]=4 753 B10R1.172 COC1=CC(C=O)=NC=C1 MC425477 [0,0,0,0,1,1|2,0,0]=4 754 B10R1.172 COC1=CC(CN)=NC=C1 CS12102 [0,0,0,0,1,1|2,0,0]=4 755 B10R1.172 COC1=CC(CN)=NC=C1 MC443540 [0,0,0,0,1,1|2,0,0]=4 756 B10R1.172 COC1=CC(CO)=NC=C1 MC31070 [0,0,0,0,1,1|2,0,0]=4 757 B10R1.172 COC1=CC(OC)=NC=C1 CS18092 [0,0,0,0,1,1|0,0,0]=2 758 B10R1.172 COC1=CC=CC(C=O)=C1 CS19170 [0,0,0,0,1,1|2,0,0]=4 759 B10R1.172 COC1=CC=CC(CCl)=C1 MC10324 [0,0,0,0,1,1|2,0,0]=4 760 B10R1.172 COC1=CC=CC(CN)=C1 CS19097 [0,0,0,0,1,1|2,0,0]=4 761 B10R1.172 COC1=CC=CC(CO)=C1 CS19269 [0,0,0,0,1,1|2,0,0]=4 762 B10R1.172 COC1=CC=CC(NN)=C1 CS19580 [0,0,0,0,1,1|2,0,0]=4 763 B10R1.172 COC1=CC=CC(OC)=C1 CS19845 [0,0,0,0,1,1|0,0,0]=2 764 B10R1.172 COC1=CC=CC(OC)=N1 MC433065 [0,0,0,0,1,1|1,0,0]=3 765 B10R1.172 COC1=CN=CC(C#N)=C1 MC425494 [0,0,0,0,1,1|2,0,0]=4 766 B10R1.172 COC1=CN=CC(C=O)=C1 CS17827 [0,0,0,0,1,1|2,0,0]=4 767 B10R1.172 COC1=CN=CC(OC)=C1 CS17332 [0,0,0,0,1,1|0,0,0]=2 768 B10R1.172 COC1=CN=CC(OC)=N1 MC425619 [0,0,0,0,1,1|1,0,0]=3 769 B10R1.172 COC1=NC(OC)=NC=C1 CS19530 [0,0,0,0,1,1|1,0,0]=3 770 B10R1.172 COC1=NC=CC(C#N)=C1 CS22801 [0,0,0,0,1,1|2,0,0]=4 771 B10R1.172 COC1=NC=CC(C=O)=C1 CS15775 [0,0,0,0,1,1|2,0,0]=4 772 B10R1.172 COC1=NC=CC(CN)=C1 CS16830 [0,0,0,0,1,1|2,0,0]=4 773 B10R1.172 COC1=NC=CC(CO)=C1 CS12823 [0,0,0,0,1,1|2,0,0]=4