0 B10R1.1 Br[Zn]Cc1ccc(Br)cc1 MC121353 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.1 C=COC1=CC=C(I)C=C1 MC103309 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.1 CC1=CC=C(CC#N)C=C1 CS21709 [0,0,0,0,0,0|1,0,2]=3 3 B10R1.1 CC1=CC=C(CCBr)C=C1 CS19977 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.1 CC1=CC=C(CCN)C=C1 CS18979 [0,0,0,0,0,0|1,0,0]=1 5 B10R1.1 CC1=CC=C(CCO)C=C1 MC40744 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.1 CC1=CC=C(CNN)C=C1 CS20201 [0,0,0,0,0,0|2,0,0]=2 7 B10R1.1 CCCC1=CC=C(Br)C=C1 CS10896 [0,0,0,0,0,0|2,0,0]=2 8 B10R1.1 CCOC1=CC=C(Br)C=C1 MC446797 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.1 CCOC1=CC=C(I)C=C1 CS22907 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.1 CCOC1=CC=C(N)C=C1 CS11879 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.1 CCOC1=CN=C(N)C=C1 CS15063 [0,0,0,0,0,0|4,0,0]=4 12 B10R1.1 CCOC1=NC=C(Br)C=C1 CS22026 [0,0,0,0,0,0|4,0,0]=4 13 B10R1.1 CCOC1=NC=C(N)C=C1 CS14713 [0,0,0,0,0,0|4,0,0]=4 14 B10R1.1 CNCC1=CC=C(Br)C=C1 CS19272 [0,0,0,0,0,0|3,0,0]=3 15 B10R1.1 CNCC1=CC=C(C)C=C1 CS11795 [0,0,0,0,0,0|3,0,0]=3 16 B10R1.1 CSCC1=NC=C(Br)C=C1 MC112104 [0,0,0,0,0,0|4,0,0]=4 17 B10R1.1 ClC1=CC=C(CCBr)C=C1 CS10835 [0,0,0,0,0,0|2,0,0]=2 18 B10R1.1 ClCCC1=CC=C(Cl)C=C1 MC433885 [0,0,0,0,0,0|2,0,0]=2 19 B10R1.1 FC1=CC=C(CCBr)C=C1 CS10866 [0,0,0,0,0,0|2,0,0]=2 20 B10R1.1 FC1=CC=C(N=C=S)C=C1 MC41072 [0,0,0,0,0,0|3,0,1]=4 21 B10R1.1 Fc1ccc(C[Zn]Cl)cc1 MC121346 [0,0,0,0,0,0|3,0,0]=3 22 B10R1.1 N#CCC1=CC=C(Br)C=C1 CS20687 [0,0,0,0,0,0|1,0,2]=3 23 B10R1.1 N#CCC1=CC=C(Cl)C=C1 MC20790 [0,0,0,0,0,0|1,0,2]=3 24 B10R1.1 N#CCC1=CC=C(Cl)N=C1 CS19041 [0,0,0,0,0,0|2,0,2]=4 25 B10R1.1 N#CCC1=CC=C(F)C=C1 CS14479 [0,0,0,0,0,0|1,0,2]=3 26 B10R1.1 N#CCC1=CC=C(F)N=C1 MC429490 [0,0,0,0,0,0|2,0,2]=4 27 B10R1.1 N#CCC1=CC=C(I)C=C1 MC40782 [0,0,0,0,0,0|1,0,2]=3 28 B10R1.1 N#CCC1=CC=C(N)C=C1 MC40751 [0,0,0,0,0,0|1,0,2]=3 29 B10R1.1 N#CCC1=NC=C(Br)C=C1 CS19461 [0,0,0,0,0,0|2,0,2]=4 30 B10R1.1 N#CCC1=NC=C(Cl)C=C1 CS15674 [0,0,0,0,0,0|2,0,2]=4 31 B10R1.1 NC1=CC=C(CCO)C=C1 CS13450 [0,0,0,0,0,0|2,0,0]=2 32 B10R1.1 NCCC1=CC=C(Br)C=C1 CS19296 [0,0,0,0,0,0|1,0,0]=1 33 B10R1.1 NCCC1=CC=C(Cl)C=C1 MC40975 [0,0,0,0,0,0|1,0,0]=1 34 B10R1.1 NCCC1=CC=C(F)C=C1 CS13766 [0,0,0,0,0,0|1,0,0]=1 35 B10R1.1 NCCC1=CC=C(N)C=C1 MC33045 [0,0,0,0,0,0|1,0,0]=1 36 B10R1.1 NCCC1=CC=C(O)C=C1 CS22315 [0,0,0,0,0,0|0,0,0]=0 37 B10R1.1 NCCC1=CNC(=O)C=C1 MC33499 [0,0,0,0,0,0|1,0,1]=2 38 B10R1.1 NNCC1=CC=C(F)C=C1 CS17057 [0,0,0,0,0,0|2,0,0]=2 39 B10R1.1 O=C=NC1=CC=C(Br)C=C1 MC41032 [0,0,0,0,0,0|3,0,1]=4 40 B10R1.1 O=C=NC1=CC=C(F)C=C1 MC33036 [0,0,0,0,0,0|3,0,1]=4 41 B10R1.1 O=CCC1=CC=C(Br)C=C1 CS18203 [0,0,0,0,0,0|2,0,1]=3 42 B10R1.1 O=CNC1=CC=C(Cl)C=C1 MC103067 [0,0,0,0,0,0|3,0,1]=4 43 B10R1.1 OC1=CC=C(N=C=S)C=C1 MC106291 [0,0,0,0,0,0|2,0,1]=3 44 B10R1.1 OCCC1=CC=C(Br)C=C1 CS14491 [0,0,0,0,0,0|2,0,0]=2 45 B10R1.1 OCCC1=CC=C(Cl)C=C1 CS22791 [0,0,0,0,0,0|2,0,0]=2 46 B10R1.1 OCCC1=CC=C(F)C=C1 MC33200 [0,0,0,0,0,0|2,0,0]=2 47 B10R1.1 OCCC1=CC=C(I)C=C1 CS12086 [0,0,0,0,0,0|2,0,0]=2 48 B10R1.1 OCCC1=CC=C(O)C=C1 CS20458 [0,0,0,0,0,0|1,0,0]=1 49 B10R1.1 OCCC1=NC=C(Br)C=C1 MC102395 [0,0,0,0,0,0|3,0,0]=3 50 B10R1.1 S=C=NC1=CC=C(Br)C=C1 MC41057 [0,0,0,0,0,0|3,0,1]=4 51 B10R1.1 S=C=NC1=CC=C(Cl)C=C1 MC41059 [0,0,0,0,0,0|3,0,1]=4 52 B9R1.1 BrCC1=CC=C(Br)C=C1 CS19166 [1,0,0,0,0,0|2,0,0]=3 53 B9R1.1 BrCC1=CC=C(I)C=C1 CS20172 [1,0,0,0,0,0|2,0,0]=3 54 B9R1.1 BrCC1=CN=C(Br)C=C1 MC430652 [1,0,0,0,0,0|3,0,0]=4 55 B9R1.1 Br[Mg]c1ccc(Br)cc1 MC116037 [1,0,0,0,0,0|3,0,0]=4 56 B9R1.1 C#CC1=CC=C(Br)C=C1 MC440298 [1,0,0,0,0,0|1,0,2]=4 57 B9R1.1 C#CC1=CC=C(C)C=C1 CS21552 [1,0,0,0,0,0|1,0,2]=4 58 B9R1.1 C#CC1=CC=C(Cl)C=C1 MC440300 [1,0,0,0,0,0|1,0,2]=4 59 B9R1.1 C#CC1=CC=C(F)C=C1 MC429574 [1,0,0,0,0,0|1,0,2]=4 60 B9R1.1 C#CC1=CC=C(I)C=C1 MC443225 [1,0,0,0,0,0|1,0,2]=4 61 B9R1.1 C#CC1=CN=C(O)C=C1 CS16476 [1,0,0,0,0,0|1,0,2]=4 62 B9R1.1 C=CC1=CC=C(Br)C=C1 MC41562 [1,0,0,0,0,0|1,0,2]=4 63 B9R1.1 C=CC1=CC=C(F)C=C1 MC33131 [1,0,0,0,0,0|1,0,2]=4 64 B9R1.1 CC1=CC=C(C#N)C=C1 CS19807 [1,0,0,0,0,0|1,0,2]=4 65 B9R1.1 CC1=CC=C(C=O)C=C1 MC41128 [1,0,0,0,0,0|2,0,1]=4 66 B9R1.1 CC1=CC=C(CBr)C=C1 CS22969 [1,0,0,0,0,0|2,0,0]=3 67 B9R1.1 CC1=CC=C(CCl)C=C1 MC40603 [1,0,0,0,0,0|2,0,0]=3 68 B9R1.1 CC1=CC=C(CN)C=C1 CS22970 [1,0,0,0,0,0|1,0,0]=2 69 B9R1.1 CC1=CC=C(CN)N=N1 MC100078 [1,0,0,0,0,0|3,0,0]=4 70 B9R1.1 CC1=CC=C(CO)C=C1 CS19704 [1,0,0,0,0,0|2,0,0]=3 71 B9R1.1 CC1=CC=C(CO)C=N1 MC21041 [1,0,0,0,0,0|3,0,0]=4 72 B9R1.1 CC1=CC=C(NN)C=C1 CS19576 [1,0,0,0,0,0|2,0,0]=3 73 B9R1.1 CC1=CN=C(CCl)C=C1 MC115829 [1,0,0,0,0,0|3,0,0]=4 74 B9R1.1 CC1=CN=C(CN)C=C1 CS18319 [1,0,0,0,0,0|2,0,0]=3 75 B9R1.1 CC1=CN=C(CN)N=C1 MC103801 [1,0,0,0,0,0|3,0,0]=4 76 B9R1.1 CC1=NC=C(CN)C=N1 MC101949 [1,0,0,0,0,0|3,0,0]=4 77 B9R1.1 CCC1=CC=C(Br)C=C1 CS10865 [1,0,0,0,0,0|1,0,0]=2 78 B9R1.1 CCC1=CC=C(F)C=C1 MC20965 [1,0,0,0,0,0|1,0,0]=2 79 B9R1.1 CCC1=CC=C(I)C=C1 MC20189 [1,0,0,0,0,0|1,0,0]=2 80 B9R1.1 CCC1=CC=C(N)C=C1 MC40912 [1,0,0,0,0,0|1,0,0]=2 81 B9R1.1 CCC1=CC=C(O)C=C1 MC20188 [1,0,0,0,0,0|0,0,0]=1 82 B9R1.1 CCC1=CN=C(Br)C=C1 CS13124 [1,0,0,0,0,0|2,0,0]=3 83 B9R1.1 CCC1=CN=C(Br)C=N1 MC443464 [1,0,0,0,0,0|3,0,0]=4 84 B9R1.1 CCC1=CN=C(C)C=C1 MC20566 [1,0,0,0,0,0|2,0,0]=3 85 B9R1.1 CCC1=CN=C(Cl)N=C1 MC444395 [1,0,0,0,0,0|3,0,0]=4 86 B9R1.1 CCC1=CN=C(N)N=C1 CS14255 [1,0,0,0,0,0|3,0,0]=4 87 B9R1.1 CCC1=NC=C(Br)C=C1 CS12376 [1,0,0,0,0,0|2,0,0]=3 88 B9R1.1 CCC1=NC=C(Br)C=N1 CS13125 [1,0,0,0,0,0|3,0,0]=4 89 B9R1.1 CCC1=NC=C(N)C=N1 MC444378 [1,0,0,0,0,0|3,0,0]=4 90 B9R1.1 CN1C=CC(CN)=CN1 MC105291 [1,0,0,0,0,0|3,0,0]=4 91 B9R1.1 CNC1=CC=C(Cl)C=C1 MC40891 [1,0,0,0,0,0|2,0,0]=3 92 B9R1.1 CNC1=CC=C(F)C=C1 MC40919 [1,0,0,0,0,0|2,0,0]=3 93 B9R1.1 CNC1=CC=C(I)C=C1 CS22906 [1,0,0,0,0,0|2,0,0]=3 94 B9R1.1 CNC1=NC=C(Br)C=C1 CS10304 [1,0,0,0,0,0|3,0,0]=4 95 B9R1.1 CNC1=NC=C(N)C=C1 MC33484 [1,0,0,0,0,0|3,0,0]=4 96 B9R1.1 COC1=CC=C(Br)C=C1 MC41310 [1,0,0,0,0,0|2,0,0]=3 97 B9R1.1 COC1=CC=C(Cl)C=C1 MC41327 [1,0,0,0,0,0|2,0,0]=3 98 B9R1.1 COC1=CC=C(F)C=C1 MC30345 [1,0,0,0,0,0|2,0,0]=3 99 B9R1.1 COC1=CC=C(I)C=C1 MC41342 [1,0,0,0,0,0|2,0,0]=3 100 B9R1.1 COC1=CC=C(N)C=C1 CS18580 [1,0,0,0,0,0|2,0,0]=3 101 B9R1.1 COC1=CC=C(N)C=N1 CS19527 [1,0,0,0,0,0|3,0,0]=4 102 B9R1.1 COC1=CC=C(O)C=C1 CS22939 [1,0,0,0,0,0|1,0,0]=2 103 B9R1.1 COC1=CC=C(O)C=N1 CS19503 [1,0,0,0,0,0|2,0,0]=3 104 B9R1.1 COC1=CC=C(S)C=C1 MC20380 [1,0,0,0,0,0|1,1,0]=3 105 B9R1.1 COC1=CC=[N+]([O-])C=C1 CS18613 [1,0,0,0,0,0|2,0,1]=4 106 B9R1.1 COC1=CN=C(Br)C=C1 CS13470 [1,0,0,0,0,0|3,0,0]=4 107 B9R1.1 COC1=CN=C(F)C=C1 MC442697 [1,0,0,0,0,0|3,0,0]=4 108 B9R1.1 COC1=CN=C(N)C=C1 CS17791 [1,0,0,0,0,0|3,0,0]=4 109 B9R1.1 COC1=NC=C(Br)C=C1 CS22030 [1,0,0,0,0,0|3,0,0]=4 110 B9R1.1 COC1=NC=C(C)C=C1 CS21644 [1,0,0,0,0,0|3,0,0]=4 111 B9R1.1 COC1=NC=C(Cl)C=C1 CS17976 [1,0,0,0,0,0|3,0,0]=4 112 B9R1.1 COC1=NC=C(F)C=C1 MC20598 [1,0,0,0,0,0|3,0,0]=4 113 B9R1.1 COC1=NC=C(I)C=C1 CS21641 [1,0,0,0,0,0|3,0,0]=4 114 B9R1.1 COC1=NC=C(N)C=C1 MC33494 [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|1,0,0]=2 116 B9R1.1 CSC1=CN=C(Br)C=C1 MC430574 [1,0,0,0,0,0|3,0,0]=4 117 B9R1.1 CSC1=NC=C(O)C=N1 CS12580 [1,0,0,0,0,0|3,0,0]=4 118 B9R1.1 ClC1=CC=C(CBr)C=C1 MC40527 [1,0,0,0,0,0|2,0,0]=3 119 B9R1.1 ClC1=CN=C(CBr)C=C1 CS16112 [1,0,0,0,0,0|3,0,0]=4 120 B9R1.1 ClC1=CN=C(CBr)C=C1 CS17526 [1,0,0,0,0,0|3,0,0]=4 121 B9R1.1 ClC1=NC=C(CBr)C=C1 MC430654 [1,0,0,0,0,0|3,0,0]=4 122 B9R1.1 ClCC1=CC=C(Br)C=C1 CS19167 [1,0,0,0,0,0|2,0,0]=3 123 B9R1.1 ClCC1=CC=C(Cl)C=C1 CS19806 [1,0,0,0,0,0|2,0,0]=3 124 B9R1.1 FC1=CC=C(CBr)C=C1 CS19071 [1,0,0,0,0,0|2,0,0]=3 125 B9R1.1 FC1=CC=C(CCl)C=C1 MC429572 [1,0,0,0,0,0|2,0,0]=3 126 B9R1.1 FC1=CN=C(CBr)C=C1 MC430066 [1,0,0,0,0,0|3,0,0]=4 127 B9R1.1 FC1=CN=C(CBr)C=C1 MC432544 [1,0,0,0,0,0|3,0,0]=4 128 B9R1.1 FC1=NC=C(CBr)C=C1 CS13268 [1,0,0,0,0,0|3,0,0]=4 129 B9R1.1 N#CC1=CC=C(Br)C=C1 CS19210 [1,0,0,0,0,0|1,0,2]=4 130 B9R1.1 N#CC1=CC=C(Cl)C=C1 CS19211 [1,0,0,0,0,0|1,0,2]=4 131 B9R1.1 N#CC1=CC=C(F)C=C1 CS18637 [1,0,0,0,0,0|1,0,2]=4 132 B9R1.1 N#CC1=CC=C(I)C=C1 CS22010 [1,0,0,0,0,0|1,0,2]=4 133 B9R1.1 N#CC1=CC=C(N)C=C1 CS13395 [1,0,0,0,0,0|1,0,2]=4 134 B9R1.1 N#CC1=CC=C(O)C=C1 CS15887 [1,0,0,0,0,0|0,0,2]=3 135 B9R1.1 N#CC1=CN=C(O)C=C1 CS22258 [1,0,0,0,0,0|1,0,2]=4 136 B9R1.1 N#CC1=CN=C(O)C=C1 MC427585 [1,0,0,0,0,0|1,0,2]=4 137 B9R1.1 N#CC1=NC=C(O)C=C1 MC429663 [1,0,0,0,0,0|1,0,2]=4 138 B9R1.1 NC1=CC=C(C=O)C=C1 MC20423 [1,0,0,0,0,0|2,0,1]=4 139 B9R1.1 NC1=CC=C(CO)C=C1 MC33175 [1,0,0,0,0,0|2,0,0]=3 140 B9R1.1 NC1=CC=C(CO)C=N1 MC425278 [1,0,0,0,0,0|3,0,0]=4 141 B9R1.1 NC1=CN=C(CO)C=C1 MC33467 [1,0,0,0,0,0|3,0,0]=4 142 B9R1.1 NCC1=CC=C(Br)C=C1 CS19587 [1,0,0,0,0,0|1,0,0]=2 143 B9R1.1 NCC1=CC=C(Br)N=C1 CS11090 [1,0,0,0,0,0|2,0,0]=3 144 B9R1.1 NCC1=CC=C(Cl)C=C1 MC33031 [1,0,0,0,0,0|1,0,0]=2 145 B9R1.1 NCC1=CC=C(Cl)N=C1 CS16390 [1,0,0,0,0,0|2,0,0]=3 146 B9R1.1 NCC1=CC=C(Cl)N=N1 MC105810 [1,0,0,0,0,0|3,0,0]=4 147 B9R1.1 NCC1=CC=C(F)C=C1 CS18721 [1,0,0,0,0,0|1,0,0]=2 148 B9R1.1 NCC1=CC=C(I)C=C1 MC40836 [1,0,0,0,0,0|1,0,0]=2 149 B9R1.1 NCC1=CC=C(I)C=C1 MC40837 [1,0,0,0,0,0|1,0,0]=2 150 B9R1.1 NCC1=CC=C(N)C=N1 CS10590 [1,0,0,0,0,0|2,0,0]=3 151 B9R1.1 NCC1=CC=C(O)C=C1 CS22886 [1,0,0,0,0,0|0,0,0]=1 152 B9R1.1 NCC1=CN=C(Cl)N=C1 MC102397 [1,0,0,0,0,0|3,0,0]=4 153 B9R1.1 NCC1=CN=C(F)C=C1 MC104517 [1,0,0,0,0,0|2,0,0]=3 154 B9R1.1 NCC1=NC=C(Br)C=N1 MC102033 [1,0,0,0,0,0|3,0,0]=4 155 B9R1.1 NCC1=NC=C(F)C=C1 CS16554 [1,0,0,0,0,0|2,0,0]=3 156 B9R1.1 NCC1=NC=C(F)C=C1 MC430168 [1,0,0,0,0,0|2,0,0]=3 157 B9R1.1 NCC1=NC=C(F)C=C1 MC430169 [1,0,0,0,0,0|2,0,0]=3 158 B9R1.1 NCC1=NC=C(F)C=N1 MC104531 [1,0,0,0,0,0|3,0,0]=4 159 B9R1.1 NNC1=CC=C(Br)C=C1 CS15342 [1,0,0,0,0,0|2,0,0]=3 160 B9R1.1 NNC1=CC=C(Cl)C=C1 CS13495 [1,0,0,0,0,0|2,0,0]=3 161 B9R1.1 NNC1=CC=C(Cl)C=C1 CS17312 [1,0,0,0,0,0|2,0,0]=3 162 B9R1.1 NNC1=CC=C(F)C=C1 CS22006 [1,0,0,0,0,0|2,0,0]=3 163 B9R1.1 NNC1=CC=C(F)N=C1 MC102980 [1,0,0,0,0,0|3,0,0]=4 164 B9R1.1 NNC1=CC=C(N)C=C1 MC430700 [1,0,0,0,0,0|2,0,0]=3 165 B9R1.1 NNC1=NC=C(Br)C=C1 CS19995 [1,0,0,0,0,0|3,0,0]=4 166 B9R1.1 NNC1=NC=C(Cl)C=C1 CS20219 [1,0,0,0,0,0|3,0,0]=4 167 B9R1.1 NNC1=NC=C(F)C=C1 CS17301 [1,0,0,0,0,0|3,0,0]=4 168 B9R1.1 NNC1=NC=C(I)C=C1 MC432010 [1,0,0,0,0,0|3,0,0]=4 169 B9R1.1 O=C1C=CC(CO)=CN1 CS19816 [1,0,0,0,0,0|2,0,1]=4 170 B9R1.1 O=CC1=CC=C(Br)C=C1 CS18612 [1,0,0,0,0,0|2,0,1]=4 171 B9R1.1 O=CC1=CC=C(Cl)C=C1 CS14843 [1,0,0,0,0,0|2,0,1]=4 172 B9R1.1 O=CC1=CC=C(F)C=C1 CS19072 [1,0,0,0,0,0|2,0,1]=4 173 B9R1.1 O=CC1=CC=C(I)C=C1 CS20133 [1,0,0,0,0,0|2,0,1]=4 174 B9R1.1 O=CC1=CC=C(O)C=C1 CS18686 [1,0,0,0,0,0|1,0,1]=3 175 B9R1.1 O=CC1=CN=C(O)C=C1 CS13494 [1,0,0,0,0,0|2,0,1]=4 176 B9R1.1 O=CC1=NC=C(O)C=C1 CS12167 [1,0,0,0,0,0|2,0,1]=4 177 B9R1.1 OCC1=CC=C(Br)C=C1 CS19378 [1,0,0,0,0,0|2,0,0]=3 178 B9R1.1 OCC1=CC=C(Cl)C=C1 CS19353 [1,0,0,0,0,0|2,0,0]=3 179 B9R1.1 OCC1=CC=C(F)C=C1 MC40711 [1,0,0,0,0,0|2,0,0]=3 180 B9R1.1 OCC1=CC=C(F)N=C1 MC429931 [1,0,0,0,0,0|3,0,0]=4 181 B9R1.1 OCC1=CC=C(O)C=C1 CS19212 [1,0,0,0,0,0|1,0,0]=2 182 B9R1.1 OCC1=CN=C(Cl)C=C1 MC20657 [1,0,0,0,0,0|3,0,0]=4 183 B9R1.1 OCC1=NC=C(Br)C=C1 CS23005 [1,0,0,0,0,0|3,0,0]=4 184 B9R1.1 OCC1=NC=C(Cl)C=C1 CS21758 [1,0,0,0,0,0|3,0,0]=4 185 B9R1.1 OCC1=NC=C(F)C=C1 CS10382 [1,0,0,0,0,0|3,0,0]=4 186 B9R1.8 BrCCC1=CC=CC=C1 MC40571 [1,0,0,0,0,0|1,0,0]=2 187 B9R1.8 Br[Zn]Cc1ccccc1 MC121333 [1,0,0,0,0,0|2,0,0]=3 188 B9R1.8 CCCC1=CC=CN=C1 CS22402 [1,0,0,0,0,0|2,0,0]=3 189 B9R1.8 CCNC1=CC=CC=C1 MC40913 [1,0,0,0,0,0|2,0,0]=3 190 B9R1.8 CCOC1=NC=CC=C1 CS18732 [1,0,0,0,0,0|3,0,0]=4 191 B9R1.8 CNCC1=CC=CC=C1 MC10559 [1,0,0,0,0,0|2,0,0]=3 192 B9R1.8 CNCC1=CC=CC=C1 MC20323 [1,0,0,0,0,0|2,0,0]=3 193 B9R1.8 CNCC1=CC=CC=C1 MC21006 [1,0,0,0,0,0|2,0,0]=3 194 B9R1.8 CNCC1=CC=CN=C1 CS18846 [1,0,0,0,0,0|3,0,0]=4 195 B9R1.8 COCC1=NC=CC=C1 CS20909 [1,0,0,0,0,0|3,0,0]=4 196 B9R1.8 ClCCC1=CC=CC=C1 MC40609 [1,0,0,0,0,0|1,0,0]=2 197 B9R1.8 ClCCC1=CC=NC=C1 CS17913 [1,0,0,0,0,0|2,0,0]=3 198 B9R1.8 FCCC1=CC=CC=C1 MC41557 [1,0,0,0,0,0|1,0,0]=2 199 B9R1.8 N#CCC1=CC=CN=C1 CS18407 [1,0,0,0,0,0|1,0,2]=4 200 B9R1.8 N#CCC1=CC=NC=C1 CS20239 [1,0,0,0,0,0|1,0,2]=4 201 B9R1.8 N#CCC1=NC=CC=C1 CS18926 [1,0,0,0,0,0|1,0,2]=4 202 B9R1.8 NCCC1=CC=CC=C1 MC40983 [1,0,0,0,0,0|0,0,0]=1 203 B9R1.8 NCCC1=CC=CN=C1 CS21892 [1,0,0,0,0,0|1,0,0]=2 204 B9R1.8 NCCC1=NC=CC=C1 CS14064 [1,0,0,0,0,0|1,0,0]=2 205 B9R1.8 NCCC1=NC=NC=C1 MC104796 [1,0,0,0,0,0|2,0,0]=3 206 B9R1.8 NNCC1=CC=CC=C1 CS11006 [1,0,0,0,0,0|1,0,0]=2 207 B9R1.8 NNCC1=CC=CC=C1 CS12127 [1,0,0,0,0,0|1,0,0]=2 208 B9R1.8 NNCC1=CC=CN=C1 MC111189 [1,0,0,0,0,0|2,0,0]=3 209 B9R1.8 NNCC1=CC=CN=C1 MC111240 [1,0,0,0,0,0|2,0,0]=3 210 B9R1.8 NNCC1=CC=CN=N1 MC104509 [1,0,0,0,0,0|3,0,0]=4 211 B9R1.8 NNCC1=CC=NC=C1 MC111241 [1,0,0,0,0,0|2,0,0]=3 212 B9R1.8 NNCC1=CN=CN=C1 MC112988 [1,0,0,0,0,0|3,0,0]=4 213 B9R1.8 NNCC1=CN=NC=C1 MC103925 [1,0,0,0,0,0|3,0,0]=4 214 B9R1.8 NNCC1=NC=CC=C1 MC111239 [1,0,0,0,0,0|2,0,0]=3 215 B9R1.8 NNCC1=NC=CC=N1 MC102372 [1,0,0,0,0,0|3,0,0]=4 216 B9R1.8 NNCC1=NC=CN=C1 MC105289 [1,0,0,0,0,0|3,0,0]=4 217 B9R1.8 NOCC1=CC=CC=C1 CS14063 [1,0,0,0,0,0|1,0,0]=2 218 B9R1.8 O=C=NC1=CC=CC=C1 MC41051 [1,0,0,0,0,0|2,0,1]=4 219 B9R1.8 O=CCC1=CC=CN=C1 MC106360 [1,0,0,0,0,0|2,0,1]=4 220 B9R1.8 O=CCC1=CC=NC=C1 MC106357 [1,0,0,0,0,0|2,0,1]=4 221 B9R1.8 O=CNC1=CC=CC=C1 MC40924 [1,0,0,0,0,0|2,0,1]=4 222 B9R1.8 O=COC1=CC=CC=C1 MC40136 [1,0,0,0,0,0|2,0,1]=4 223 B9R1.8 OCCC1=CC=CC=C1 MC40745 [1,0,0,0,0,0|1,0,0]=2 224 B9R1.8 OCCC1=CN=CN=C1 CS12401 [1,0,0,0,0,0|3,0,0]=4 225 B9R1.8 ONCC1=CC=CC=C1 CS11753 [1,0,0,0,0,0|2,0,0]=3 226 B11R1.1 CCOCC1=CC=C(O)C=C1 CS16541 [0,1,0,0,0,0|1,0,0]=2 227 B11R1.1 CNCCC1=CC=C(N)C=C1 MC40974 [0,1,0,0,0,0|1,0,0]=2 228 B11R1.1 CNCCC1=CC=C(O)C=C1 MC426074 [0,1,0,0,0,0|0,0,0]=1 229 B11R1.1 CNCCC1=NC=C(F)C=C1 MC431885 [0,1,0,0,0,0|2,0,0]=3 230 B11R1.1 COCCC1=CC=C(O)C=C1 MC445496 [0,1,0,0,0,0|1,0,0]=2 231 B11R1.1 ClC1=CC=C(OCCBr)C=C1 MC20815 [0,1,0,0,0,0|2,0,0]=3 232 B11R1.1 FC1=CC=C(CCCBr)C=C1 MC113691 [0,1,0,0,0,0|2,0,0]=3 233 B11R1.1 FC1=CC=C(OCCBr)C=C1 MC41373 [0,1,0,0,0,0|2,0,0]=3 234 B11R1.1 N#CCOC1=CC=C(Cl)C=C1 MC33118 [0,1,0,0,0,0|1,0,2]=4 235 B11R1.1 NCCOC1=CC=C(F)C=C1 MC40921 [0,1,0,0,0,0|1,0,0]=2 236 B11R1.1 NCCOC1=CC=C(I)C=C1 MC112558 [0,1,0,0,0,0|1,0,0]=2 237 B11R1.1 O=C=NCC1=CC=C(F)C=C1 MC433986 [0,1,0,0,0,0|2,0,1]=4 238 B11R1.20 CC(=O)CC1=CC=C(Cl)C=C1 MC10315 [0,1,0,0,0,0|2,0,1]=4 239 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 CS22844 [0,1,0,0,0,0|2,0,1]=4 240 B11R1.20 CC(C)CC1=CC=C(Br)C=C1 MC433485 [0,1,0,0,0,0|2,0,0]=3 241 B11R1.20 CC(C)NC1=CC=C(Br)C=C1 MC443740 [0,1,0,0,0,0|3,0,0]=4 242 B11R1.20 CC(C)NC1=CC=C(F)C=C1 CS22842 [0,1,0,0,0,0|3,0,0]=4 243 B11R1.20 CC(C)OC1=CC=C(N)C=C1 CS10912 [0,1,0,0,0,0|3,0,0]=4 244 B11R1.20 CC(C)OC1=CC=C(O)C=C1 MC443483 [0,1,0,0,0,0|2,0,0]=3 245 B11R1.20 CC(C)SC1=CC=C(O)C=C1 MC112512 [0,1,0,0,0,0|2,0,0]=3 246 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 CS21084 [0,1,0,0,0,0|2,0,1]=4 247 B11R1.20 CC1=CC=C(OC(F)F)C=C1 MC41389 [0,1,0,0,0,0|3,0,0]=4 248 B11R1.20 FC(F)OC1=CC=C(Cl)C=C1 MC41382 [0,1,0,0,0,0|3,0,0]=4 249 B11R1.20 FC(F)OC1=CC=C(I)C=C1 MC41388 [0,1,0,0,0,0|3,0,0]=4 250 B11R1.20 FC(F)Oc1ccc(Br)cc1 CS19168 [0,1,0,0,0,0|3,0,0]=4 251 B11R1.20 FC1=CC=C(OC(F)F)C=C1 MC431385 [0,1,0,0,0,0|3,0,0]=4 252 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 CS21002 [0,1,0,0,0,0|2,0,1]=4 253 B11R1.20 NC1=CC=C(OC(F)F)C=C1 CS13962 [0,1,0,0,0,0|3,0,0]=4 254 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 CS20812 [0,1,0,0,0,0|2,0,1]=4 255 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 MC40158 [0,1,0,0,0,0|2,0,1]=4 256 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 CS10817 [0,1,0,0,0,0|2,0,1]=4 257 B11R1.20 O=C(O)CC1=CC=C(I)C=C1 CS20852 [0,1,0,0,0,0|2,0,1]=4 258 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 MC40180 [0,1,0,0,0,0|1,0,1]=3 259 B11R1.20 O=C(O)CC1=CC=C(S)C=C1 MC40184 [0,1,0,0,0,0|1,1,1]=4 260 B11R1.20 OC1=CC=C(OC(F)F)C=C1 MC41182 [0,1,0,0,0,0|2,0,0]=3 261 B11R1.22 CC(C#N)C1=CC=C(Br)C=C1 MC427374 [0,1,0,0,0,0|1,0,2]=4 262 B11R1.22 CC(CN)C1=CC=C(Br)C=C1 MC103018 [0,1,0,0,0,0|1,0,0]=2 263 B11R1.22 CC(CN)C1=CC=C(Br)C=C1 MC427281 [0,1,0,0,0,0|1,0,0]=2 264 B11R1.22 CC(CN)C1=CC=C(O)C=C1 MC116255 [0,1,0,0,0,0|0,0,0]=1 265 B11R1.22 CC(NN)C1=CC=C(Cl)C=C1 MC110625 [0,1,0,0,0,0|2,0,0]=3 266 B11R1.22 CCC(=O)C1=CC=C(Br)C=C1 CS22698 [0,1,0,0,0,0|2,0,1]=4 267 B11R1.22 CCC(=O)C1=CC=C(Cl)C=C1 CS22795 [0,1,0,0,0,0|2,0,1]=4 268 B11R1.22 CCC(=O)C1=CC=C(F)C=C1 CS22846 [0,1,0,0,0,0|2,0,1]=4 269 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 CS15690 [0,1,0,0,0,0|1,0,1]=3 270 B11R1.22 CCC(C)C1=CC=C(Br)C=C1 CS18281 [0,1,0,0,0,0|2,0,0]=3 271 B11R1.22 COC(=O)C1=CC=C(O)C=C1 CS19446 [0,1,0,0,0,0|2,0,1]=4 272 B11R1.22 FC1=CC=C(C(Br)CBr)C=C1 MC430994 [0,1,0,0,0,0|2,0,0]=3 273 B11R1.22 NC(CO)C1=NC=C(F)C=C1 MC114776 [0,1,0,0,0,0|3,0,0]=4 274 B11R1.22 NCC(=O)C1=CC=C(Br)C=C1 CS10839 [0,1,0,0,0,0|1,0,1]=3 275 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 CS20894 [0,1,0,0,0,0|1,0,1]=3 276 B11R1.22 NCC(O)C1=CC=C(Cl)C=C1 MC431262 [0,1,0,0,0,0|1,0,0]=2 277 B11R1.22 NNC(=O)C1=CC=C(Br)C=C1 MC33165 [0,1,0,0,0,0|2,0,1]=4 278 B11R1.22 NNC(=O)C1=CC=C(Cl)C=C1 MC20179 [0,1,0,0,0,0|2,0,1]=4 279 B11R1.22 NNC(=O)C1=CC=C(F)C=C1 MC41002 [0,1,0,0,0,0|2,0,1]=4 280 B11R1.22 NNC(=O)C1=CC=C(I)C=C1 MC41004 [0,1,0,0,0,0|2,0,1]=4 281 B11R1.22 NNC(=O)C1=CC=C(O)C=C1 MC41003 [0,1,0,0,0,0|1,0,1]=3 282 B11R1.22 O=C(CBr)C1=CC=C(Br)C=C1 CS19445 [0,1,0,0,0,0|2,0,1]=4 283 B11R1.22 O=C(CBr)C1=CC=C(Cl)C=C1 MC433210 [0,1,0,0,0,0|2,0,1]=4 284 B11R1.22 O=C(CBr)C1=CC=C(F)C=C1 CS20678 [0,1,0,0,0,0|2,0,1]=4 285 B11R1.22 O=C(CBr)C1=CC=C(O)C=C1 CS10771 [0,1,0,0,0,0|1,0,1]=3 286 B11R1.22 O=C(CCl)C1=CC=C(Br)C=C1 CS14324 [0,1,0,0,0,0|2,0,1]=4 287 B11R1.22 O=C(CCl)C1=CC=C(F)C=C1 MC41236 [0,1,0,0,0,0|2,0,1]=4 288 B11R1.22 O=CC(=O)C1=CC=C(O)C=C1 CS18120 [0,1,0,0,0,0|1,0,2]=4 289 B11R1.22 OCC(O)C1=CC=C(Br)C=C1 MC442284 [0,1,0,0,0,0|2,0,0]=3 290 B11R1.81 CC1=C(CC#N)C=CC(F)=C1 MC40777 [0,1,0,0,0,0|1,0,2]=4 291 B11R1.81 CC1=CC(Br)=C(CC#N)C=C1 MC106321 [0,1,0,0,0,0|1,0,2]=4 292 B11R1.81 CC1=CC(F)=C(CC#N)C=C1 MC431014 [0,1,0,0,0,0|1,0,2]=4 293 B11R1.81 CCOC1=C(F)C=C(N)C=C1 MC112375 [0,1,0,0,0,0|3,0,0]=4 294 B11R1.81 N#CCC1=C(Br)C=C(Br)C=C1 MC433948 [0,1,0,0,0,0|1,0,2]=4 295 B11R1.81 N#CCC1=C(Br)C=C(Cl)C=C1 MC40754 [0,1,0,0,0,0|1,0,2]=4 296 B11R1.81 N#CCC1=C(Br)C=C(F)C=C1 CS13698 [0,1,0,0,0,0|1,0,2]=4 297 B11R1.81 N#CCC1=C(Cl)C=C(Br)C=C1 MC107514 [0,1,0,0,0,0|1,0,2]=4 298 B11R1.81 N#CCC1=C(Cl)C=C(Cl)C=C1 CS15393 [0,1,0,0,0,0|1,0,2]=4 299 B11R1.81 N#CCC1=C(Cl)C=C(F)C=C1 CS20640 [0,1,0,0,0,0|1,0,2]=4 300 B11R1.81 N#CCC1=C(F)C=C(Br)C=C1 CS22644 [0,1,0,0,0,0|1,0,2]=4 301 B11R1.81 N#CCC1=C(F)C=C(Cl)C=C1 MC40764 [0,1,0,0,0,0|1,0,2]=4 302 B11R1.81 N#CCC1=C(F)C=C(F)C=C1 CS10683 [0,1,0,0,0,0|1,0,2]=4 303 B11R1.81 NCCC1=C(F)C=C(F)C=C1 MC40977 [0,1,0,0,0,0|1,0,0]=2 304 B11R1.81 OCCC1=C(Cl)C=C(Cl)C=C1 MC40739 [0,1,0,0,0,0|2,0,0]=3 305 B11R1.83 C#CC1=CC=C(OCC)C=C1 CS11063 [0,1,0,0,0,0|3,0,0]=4 306 B11R1.83 CCC1=CN=C(CCO)C=C1 CS10373 [0,1,0,0,0,0|3,0,0]=4 307 B11R1.83 CCCC1=CC=C(C=O)C=C1 MC41132 [0,1,0,0,0,0|1,0,1]=3 308 B11R1.83 CCCC1=CC=C(CN)C=C1 CS10109 [0,1,0,0,0,0|2,0,0]=3 309 B11R1.83 CCOC1=CC=C(C=O)C=C1 CS22818 [0,1,0,0,0,0|2,0,1]=4 310 B11R1.83 CCOC1=CC=C(CN)C=C1 MC40825 [0,1,0,0,0,0|3,0,0]=4 311 B11R1.83 CCOC1=CC=C(CO)C=C1 CS22820 [0,1,0,0,0,0|2,0,0]=3 312 B11R1.83 CNCC1=CC=C(OC)C=C1 CS18429 [0,1,0,0,0,0|2,0,0]=3 313 B11R1.83 COC1=CC=C(CC#N)C=C1 CS13459 [0,1,0,0,0,0|0,0,2]=3 314 B11R1.83 COC1=CC=C(CNN)C=C1 CS20199 [0,1,0,0,0,0|1,0,0]=2 315 B11R1.83 COC1=CC=C(CNO)C=C1 MC106878 [0,1,0,0,0,0|2,0,0]=3 316 B11R1.83 COC1=CC=C(CON)C=C1 CS20566 [0,1,0,0,0,0|1,0,0]=2 317 B11R1.83 COC1=CC=C(N=C=O)C=C1 MC41047 [0,1,0,0,0,0|2,0,1]=4 318 B11R1.83 COC1=CC=C(\C=N\O)C=C1 MC427343 [0,1,0,0,0,0|2,0,1]=4 319 B11R1.83 C\C=C\C1=CC=C(OC)C=C1 CS10928 [0,1,0,0,0,0|1,0,2]=4 320 B11R1.83 C\C=C\C1=CC=C(OC)C=C1 CS10929 [0,1,0,0,0,0|1,0,2]=4 321 B11R1.83 N#CC1=CC=C(CCBr)C=C1 CS12532 [0,1,0,0,0,0|2,0,0]=3 322 B11R1.83 N#CC1=CC=C(CCN)C=C1 CS22808 [0,1,0,0,0,0|1,0,0]=2 323 B11R1.83 N#CC1=CC=C(CCO)C=C1 CS22434 [0,1,0,0,0,0|2,0,0]=3 324 B11R1.83 O=CC1=CC=C(CCCl)C=C1 MC106352 [0,1,0,0,0,0|1,0,1]=3 325 B11R1.83 O=CC1=CC=C(CCO)C=C1 CS16581 [0,1,0,0,0,0|1,0,1]=3 326 B11R1.192 CC1=C(F)C=C(CC#N)C=C1 MC40776 [0,1,0,0,0,0|1,0,2]=4 327 B11R1.192 CC1=C(F)C=CC(CC#N)=C1 MC40778 [0,1,0,0,0,0|1,0,2]=4 328 B11R1.192 CCOC1=CC(Cl)=C(Br)C=C1 CS16022 [0,1,0,0,0,0|3,0,0]=4 329 B11R1.192 CCOC1=CC=C(N)C(N)=C1 MC433374 [0,1,0,0,0,0|3,0,0]=4 330 B11R1.192 CNCC1=CC(Cl)=C(Cl)C=C1 CS11711 [0,1,0,0,0,0|3,0,0]=4 331 B11R1.192 COCC1=CC(F)=C(Br)C=C1 MC33058 [0,1,0,0,0,0|3,0,0]=4 332 B11R1.192 N#CCC1=CC(Br)=C(F)C=C1 MC433936 [0,1,0,0,0,0|1,0,2]=4 333 B11R1.192 N#CCC1=CC(Cl)=C(Cl)C=C1 CS20633 [0,1,0,0,0,0|1,0,2]=4 334 B11R1.192 N#CCC1=CC(Cl)=C(F)C=C1 CS18657 [0,1,0,0,0,0|1,0,2]=4 335 B11R1.192 N#CCC1=CC(F)=C(Br)C=C1 CS15044 [0,1,0,0,0,0|1,0,2]=4 336 B11R1.192 N#CCC1=CC(F)=C(Cl)C=C1 MC433126 [0,1,0,0,0,0|1,0,2]=4 337 B11R1.192 N#CCC1=CC(F)=C(F)C=C1 MC30096 [0,1,0,0,0,0|1,0,2]=4 338 B11R1.192 N#CCC1=CC(F)=C(I)C=C1 MC113672 [0,1,0,0,0,0|1,0,2]=4 339 B11R1.192 NCCC1=CC(Cl)=C(Cl)C=C1 CS21933 [0,1,0,0,0,0|1,0,0]=2 340 B11R1.192 NCCC1=CC=C(O)C(O)=C1 CS15345 [0,1,0,0,0,0|0,0,0]=1 341 B11R1.192 O=CCC1=CC(Br)=C(F)C=C1 MC430543 [0,1,0,0,0,0|2,0,1]=4 342 B11R1.192 O=CCC1=CC(F)=C(Br)C=C1 MC430272 [0,1,0,0,0,0|2,0,1]=4 343 B11R1.192 OCCC1=CC(Cl)=C(Cl)C=C1 CS21932 [0,1,0,0,0,0|2,0,0]=3 344 B11R1.192 OCCC1=CC(F)=C(F)C=C1 MC33101 [0,1,0,0,0,0|2,0,0]=3 345 B11R2.34 BrC1=CC=C(C2CC2)C=C1 CS22811 [0,0,0,1,0,0|2,0,0]=3 346 B11R2.34 BrC1=NC=C(C2CC2)C=C1 MC442244 [0,0,0,1,0,0|3,0,0]=4 347 B11R2.34 CC1=CC=C(C2CO2)C=C1 MC112355 [0,0,0,1,0,0|2,0,0]=3 348 B11R2.34 NC1=CC=C(C2CC2)C=C1 CS17100 [0,0,0,1,0,0|2,0,0]=3 349 B11R2.36 BrC1=CC2=C(C=C1)CCO2 MC441170 [0,0,0,1,0,0|2,0,0]=3 350 B11R2.36 BrC1=CC2=C(C=C1)OCC2 MC20389 [0,0,0,1,0,0|3,0,0]=4 351 B11R2.36 BrC1=CC=C2C=CNC2=C1 CS22089 [0,0,0,1,0,0|1,0,2]=4 352 B11R2.36 BrC1=CC=C2C=NNC2=C1 CS18484 [0,0,0,1,0,0|2,0,1]=4 353 B11R2.36 BrC1=CC=C2CCCC2=C1 MC443408 [0,0,0,1,0,0|2,0,0]=3 354 B11R2.36 BrC1=CC=C2CCNC2=C1 CS17623 [0,0,0,1,0,0|1,0,0]=2 355 B11R2.36 BrC1=CC=C2CNCC2=C1 CS14408 [0,0,0,1,0,0|3,0,0]=4 356 B11R2.36 BrC1=CC=C2CNCC2=C1 MC20658 [0,0,0,1,0,0|3,0,0]=4 357 B11R2.36 BrC1=CC=C2NCCC2=C1 CS10836 [0,0,0,1,0,0|3,0,0]=4 358 B11R2.36 BrC1=CN=C2CCCC2=C1 CS22164 [0,0,0,1,0,0|3,0,0]=4 359 B11R2.36 Brc1ccc2c(c1)OCO2 CS19789 [0,0,0,1,0,0|3,0,0]=4 360 B11R2.36 CC1=CC=C2CCNC2=C1 MC106356 [0,0,0,1,0,0|1,0,0]=2 361 B11R2.36 CC1=CC=C2CNCC2=C1 MC431420 [0,0,0,1,0,0|3,0,0]=4 362 B11R2.36 ClC1=CC2=C(C=C1)N=CN2 MC443515 [0,0,0,1,0,0|2,0,1]=4 363 B11R2.36 ClC1=CC2=C(C=N1)CCN2 CS14935 [0,0,0,1,0,0|2,0,0]=3 364 B11R2.36 ClC1=CC=C2C=CNC2=C1 CS22097 [0,0,0,1,0,0|1,0,2]=4 365 B11R2.36 ClC1=CC=C2C=NNC2=C1 CS18428 [0,0,0,1,0,0|2,0,1]=4 366 B11R2.36 ClC1=CC=C2CCCC2=C1 MC106098 [0,0,0,1,0,0|2,0,0]=3 367 B11R2.36 ClC1=CC=C2CCNC2=C1 CS19407 [0,0,0,1,0,0|1,0,0]=2 368 B11R2.36 ClC1=CC=C2CNCC2=C1 CS15340 [0,0,0,1,0,0|3,0,0]=4 369 B11R2.36 ClC1=CC=C2CNCC2=C1 MC441088 [0,0,0,1,0,0|3,0,0]=4 370 B11R2.36 ClC1=CC=C2NCCC2=C1 MC20079 [0,0,0,1,0,0|3,0,0]=4 371 B11R2.36 FC1=CC2=C(C=C1)CCO2 MC432264 [0,0,0,1,0,0|2,0,0]=3 372 B11R2.36 FC1=CC=C2C=CNC2=C1 MC31140 [0,0,0,1,0,0|1,0,2]=4 373 B11R2.36 FC1=CC=C2C=NNC2=C1 CS18253 [0,0,0,1,0,0|2,0,1]=4 374 B11R2.36 FC1=CC=C2CC=CC2=C1 MC446777 [0,0,0,1,0,0|2,0,1]=4 375 B11R2.36 FC1=CC=C2CCCC2=C1 CS16751 [0,0,0,1,0,0|2,0,0]=3 376 B11R2.36 FC1=CC=C2CCNC2=C1 MC443334 [0,0,0,1,0,0|1,0,0]=2 377 B11R2.36 FC1=CC=C2CNCC2=C1 CS15207 [0,0,0,1,0,0|3,0,0]=4 378 B11R2.36 IC1=CC2=C(C=C1)OCC2 MC442476 [0,0,0,1,0,0|3,0,0]=4 379 B11R2.36 IC1=CC2=C(C=C1)OCO2 MC442800 [0,0,0,1,0,0|3,0,0]=4 380 B11R2.36 IC1=CC=C2C=CNC2=C1 CS13433 [0,0,0,1,0,0|1,0,2]=4 381 B11R2.36 IC1=CC=C2C=NNC2=C1 MC20851 [0,0,0,1,0,0|2,0,1]=4 382 B11R2.36 NC1=CC2=C(C=C1)N=CN2 MC41743 [0,0,0,1,0,0|2,0,1]=4 383 B11R2.36 NC1=CC2=C(C=C1)OCC2 MC442475 [0,0,0,1,0,0|3,0,0]=4 384 B11R2.36 NC1=CC2=C(C=C1)OCO2 CS20315 [0,0,0,1,0,0|3,0,0]=4 385 B11R2.36 NC1=CC=C2C=NNC2=C1 CS15642 [0,0,0,1,0,0|2,0,1]=4 386 B11R2.36 NC1=CC=C2CCNC2=C1 MC425589 [0,0,0,1,0,0|1,0,0]=2 387 B11R2.36 NC1=CC=C2CN=NC2=C1 MC107021 [0,0,0,1,0,0|2,0,1]=4 388 B11R2.36 NC1=CC=C2CNCC2=C1 MC20849 [0,0,0,1,0,0|3,0,0]=4 389 B11R2.36 NC1=CC=C2CNCC2=C1 MC442457 [0,0,0,1,0,0|3,0,0]=4 390 B11R2.36 NC1=CC=C2COCC2=C1 CS20519 [0,0,0,1,0,0|3,0,0]=4 391 B11R2.36 NC1=CN=C2CCCC2=C1 MC100354 [0,0,0,1,0,0|3,0,0]=4 392 B11R2.36 OC1=CC2=C(C=C1)C=NO2 CS12459 [0,0,0,1,0,0|2,0,1]=4 393 B11R2.36 OC1=CC2=C(C=C1)CCO2 CS16031 [0,0,0,1,0,0|1,0,0]=2 394 B11R2.36 OC1=CC2=C(C=C1)N=CS2 CS10613 [0,0,0,1,0,0|2,0,1]=4 395 B11R2.36 OC1=CC2=C(C=C1)OC=C2 MC443249 [0,0,0,1,0,0|2,0,1]=4 396 B11R2.36 OC1=CC2=C(C=C1)SC=C2 MC111398 [0,0,0,1,0,0|2,0,1]=4 397 B11R2.36 OC1=CC2=C(C=C1)SC=N2 MC427507 [0,0,0,1,0,0|1,0,2]=4 398 B11R2.36 OC1=CC2=C(C=CO2)C=C1 CS20605 [0,0,0,1,0,0|1,0,2]=4 399 B11R2.36 OC1=CC2=C(C=CS2)C=C1 MC441864 [0,0,0,1,0,0|1,0,2]=4 400 B11R2.36 OC1=CC=C2C=CNC2=N1 CS14689 [0,0,0,1,0,0|1,0,2]=4 401 B11R2.36 OC1=CC=C2C=NNC2=C1 CS20712 [0,0,0,1,0,0|1,0,1]=3 402 B11R2.36 OC1=CC=C2NC=CC2=C1 CS20861 [0,0,0,1,0,0|2,0,1]=4 403 B11R2.36 OC1=CC=C2NCCC2=C1 CS21042 [0,0,0,1,0,0|2,0,0]=3 404 B11R2.36 OC1=CC=C2NN=CC2=C1 CS20711 [0,0,0,1,0,0|3,0,0]=4 405 B9R1.7 NCCC1=CC=C(Br)S1 MC114876 [0,0,0,0,1,0|2,0,0]=3 406 B9R1.7 NCCC1=CN=C(O)S1 MC110548 [0,0,0,0,1,0|2,0,0]=3 407 B9R1.7 NCCC1=CN=C(O)S1 MC429101 [0,0,0,0,1,0|2,0,0]=3 408 B9R1.7 NNCC1=CC=C(Cl)S1 MC104513 [0,0,0,0,1,0|3,0,0]=4 409 B9R1.7 NNCC1=CSC(Cl)=C1 MC104510 [0,0,0,0,1,0|3,0,0]=4 410 B8R1.2 BrCC1=CC=NC=C1 CS22459 [2,0,0,0,0,0|2,0,0]=4 411 B8R1.2 BrCC1=CC=NC=C1 MC111773 [2,0,0,0,0,0|2,0,0]=4 412 B8R1.2 C#CC1=CC=CC=C1 CS19127 [2,0,0,0,0,0|0,0,2]=4 413 B8R1.2 CCC1=CC=CC=C1 MC41556 [2,0,0,0,0,0|0,0,0]=2 414 B8R1.2 CCC1=CC=CN=C1 CS22277 [2,0,0,0,0,0|1,0,0]=3 415 B8R1.2 CCC1=NC=CN=C1 CS21534 [2,0,0,0,0,0|2,0,0]=4 416 B8R1.2 CNC1=CC=CC=C1 CS11792 [2,0,0,0,0,0|1,0,0]=3 417 B8R1.2 CNC1=CC=CN=C1 CS13856 [2,0,0,0,0,0|2,0,0]=4 418 B8R1.2 CNC1=CC=NC=C1 MC41620 [2,0,0,0,0,0|2,0,0]=4 419 B8R1.2 COC1=CC=CC=C1 MC41309 [2,0,0,0,0,0|1,0,0]=3 420 B8R1.2 COC1=CC=CN=C1 CS22348 [2,0,0,0,0,0|2,0,0]=4 421 B8R1.2 COC1=CC=NC=C1 CS19206 [2,0,0,0,0,0|2,0,0]=4 422 B8R1.2 COC1=NC=CC=C1 CS18780 [2,0,0,0,0,0|2,0,0]=4 423 B8R1.2 CSC1=CC=CC=C1 MC439137 [2,0,0,0,0,0|1,0,0]=3 424 B8R1.2 CSC1=NC=CC=C1 MC41628 [2,0,0,0,0,0|2,0,0]=4 425 B8R1.2 ClCC1=CC=CN=C1 CS19291 [2,0,0,0,0,0|2,0,0]=4 426 B8R1.2 ClCC1=NC=CC=C1 CS19289 [2,0,0,0,0,0|2,0,0]=4 427 B8R1.2 ICC1=CC=CC=C1 CS11000 [2,0,0,0,0,0|1,0,0]=3 428 B8R1.2 ICC1=CC=CN=C1 MC430640 [2,0,0,0,0,0|2,0,0]=4 429 B8R1.2 I[Zn]c1ccccc1 MC121332 [2,0,0,0,0,0|2,0,0]=4 430 B8R1.2 N#CC1=CC=CC=C1 MC40623 [2,0,0,0,0,0|0,0,2]=4 431 B8R1.2 N#Cc1ccccc1 CS13696 [2,0,0,0,0,0|0,0,2]=4 432 B8R1.2 NCC1=CC=CC=C1 MC40797 [2,0,0,0,0,0|0,0,0]=2 433 B8R1.2 NCC1=CC=CN=C1 CS14226 [2,0,0,0,0,0|1,0,0]=3 434 B8R1.2 NCC1=CC=CN=N1 MC444234 [2,0,0,0,0,0|2,0,0]=4 435 B8R1.2 NCC1=CC=NC=C1 CS11906 [2,0,0,0,0,0|1,0,0]=3 436 B8R1.2 NCC1=CC=NC=C1 CS19023 [2,0,0,0,0,0|1,0,0]=3 437 B8R1.2 NCC1=CN=CN=C1 MC444384 [2,0,0,0,0,0|2,0,0]=4 438 B8R1.2 NCC1=CN=NC=C1 CS15014 [2,0,0,0,0,0|2,0,0]=4 439 B8R1.2 NCC1=CN=NC=C1 CS15515 [2,0,0,0,0,0|2,0,0]=4 440 B8R1.2 NCC1=CN=NC=C1 MC444324 [2,0,0,0,0,0|2,0,0]=4 441 B8R1.2 NCC1=NC=CC=N1 CS21304 [2,0,0,0,0,0|2,0,0]=4 442 B8R1.2 NCC1=NC=CC=N1 MC425460 [2,0,0,0,0,0|2,0,0]=4 443 B8R1.2 NCC1=NC=CN=C1 CS19691 [2,0,0,0,0,0|2,0,0]=4 444 B8R1.2 NCC1=NC=CN=C1 CS20245 [2,0,0,0,0,0|2,0,0]=4 445 B8R1.2 NCC1=NC=NC=C1 MC444325 [2,0,0,0,0,0|2,0,0]=4 446 B8R1.2 NNC1=CC=CC=C1 CS15210 [2,0,0,0,0,0|1,0,0]=3 447 B8R1.2 NNC1=CC=CC=C1 MC427075 [2,0,0,0,0,0|1,0,0]=3 448 B8R1.2 NNC1=CC=CN=C1 CS15491 [2,0,0,0,0,0|2,0,0]=4 449 B8R1.2 NNC1=CC=CN=C1 CS22308 [2,0,0,0,0,0|2,0,0]=4 450 B8R1.2 NNC1=CC=NC=C1 MC20777 [2,0,0,0,0,0|2,0,0]=4 451 B8R1.2 NNC1=NC=CC=C1 CS15589 [2,0,0,0,0,0|2,0,0]=4 452 B8R1.2 NNC1=NC=CC=C1 CS21573 [2,0,0,0,0,0|2,0,0]=4 453 B8R1.2 O=NC1=CC=CC=C1 MC33163 [2,0,0,0,0,0|2,0,0]=4 454 B8R1.2 OCC1=CC=CC=C1 MC40684 [2,0,0,0,0,0|1,0,0]=3 455 B8R1.2 OCC1=CC=CN=C1 CS22409 [2,0,0,0,0,0|2,0,0]=4 456 B8R1.2 OCC1=CC=NC=C1 CS19163 [2,0,0,0,0,0|2,0,0]=4 457 B8R1.2 OCC1=NC=CC=C1 CS19164 [2,0,0,0,0,0|2,0,0]=4 458 B8R1.3 BrC1=CC=C(Br)C=C1 MC41477 [2,0,0,0,0,0|2,0,0]=4 459 B8R1.3 BrC1=CC=C(I)C=C1 CS22911 [2,0,0,0,0,0|2,0,0]=4 460 B8R1.3 CC1=CC=C(Br)C=C1 MC20922 [2,0,0,0,0,0|1,0,0]=3 461 B8R1.3 CC1=CC=C(C)C=C1 MC41551 [2,0,0,0,0,0|1,0,0]=3 462 B8R1.3 CC1=CC=C(F)C=C1 MC41520 [2,0,0,0,0,0|1,0,0]=3 463 B8R1.3 CC1=CC=C(I)C=C1 MC445763 [2,0,0,0,0,0|1,0,0]=3 464 B8R1.3 CC1=CC=C(N)C=C1 CS11898 [2,0,0,0,0,0|1,0,0]=3 465 B8R1.3 CC1=CC=C(N)C=N1 CS19519 [2,0,0,0,0,0|2,0,0]=4 466 B8R1.3 CC1=CC=C(O)C=C1 MC41204 [2,0,0,0,0,0|0,0,0]=2 467 B8R1.3 CC1=CC=C(O)C=N1 CS19501 [2,0,0,0,0,0|1,0,0]=3 468 B8R1.3 CC1=CC=C(O)N=N1 MC41698 [2,0,0,0,0,0|2,0,0]=4 469 B8R1.3 CC1=CC=C([S-])C=C1 MC112796 [2,0,0,0,0,0|0,1,0]=3 470 B8R1.3 CC1=CN=C(Br)C=C1 CS21837 [2,0,0,0,0,0|2,0,0]=4 471 B8R1.3 CC1=CN=C(C)C=C1 CS21154 [2,0,0,0,0,0|2,0,0]=4 472 B8R1.3 CC1=CN=C(Cl)C=C1 CS19287 [2,0,0,0,0,0|2,0,0]=4 473 B8R1.3 CC1=CN=C(F)C=C1 CS21872 [2,0,0,0,0,0|2,0,0]=4 474 B8R1.3 CC1=CN=C(N)C=C1 CS21820 [2,0,0,0,0,0|2,0,0]=4 475 B8R1.3 CC1=CN=C(O)C=C1 CS16275 [2,0,0,0,0,0|1,0,0]=3 476 B8R1.3 CC1=CN=C(O)C=N1 CS12289 [2,0,0,0,0,0|2,0,0]=4 477 B8R1.3 CC1=CNC(=O)C=C1 CS21591 [2,0,0,0,0,0|1,0,1]=4 478 B8R1.3 CC1=NC=C(Br)C=C1 CS22031 [2,0,0,0,0,0|2,0,0]=4 479 B8R1.3 CC1=NC=C(F)C=C1 MC433052 [2,0,0,0,0,0|2,0,0]=4 480 B8R1.3 CC1=NC=C(I)C=C1 MC20376 [2,0,0,0,0,0|2,0,0]=4 481 B8R1.3 CC1=NC=C(O)C=N1 CS10401 [2,0,0,0,0,0|2,0,0]=4 482 B8R1.3 ClC1=CC=C(Br)C=C1 CS22677 [2,0,0,0,0,0|2,0,0]=4 483 B8R1.3 ClC1=CC=C(I)C=C1 CS19235 [2,0,0,0,0,0|2,0,0]=4 484 B8R1.3 FC1=CC=C(Br)C=C1 MC20092 [2,0,0,0,0,0|2,0,0]=4 485 B8R1.3 FC1=CC=C(Cl)C=C1 CS20666 [2,0,0,0,0,0|2,0,0]=4 486 B8R1.3 FC1=CC=C(F)C=C1 MC41485 [2,0,0,0,0,0|2,0,0]=4 487 B8R1.3 FC1=CC=C(I)C=C1 CS22840 [2,0,0,0,0,0|2,0,0]=4 488 B8R1.3 FC1=CC=C(S)C=C1 MC20299 [2,0,0,0,0,0|1,1,0]=4 489 B8R1.3 IC1=CC=C(I)C=C1 CS19213 [2,0,0,0,0,0|2,0,0]=4 490 B8R1.3 NC1=CC=C(Br)C=C1 MC40858 [2,0,0,0,0,0|1,0,0]=3 491 B8R1.3 NC1=CC=C(Br)C=C1 MC40859 [2,0,0,0,0,0|1,0,0]=3 492 B8R1.3 NC1=CC=C(Br)N=C1 CS21910 [2,0,0,0,0,0|2,0,0]=4 493 B8R1.3 NC1=CC=C(Cl)C=C1 CS18588 [2,0,0,0,0,0|1,0,0]=3 494 B8R1.3 NC1=CC=C(Cl)N=C1 CS21849 [2,0,0,0,0,0|2,0,0]=4 495 B8R1.3 NC1=CC=C(F)C=C1 CS19763 [2,0,0,0,0,0|1,0,0]=3 496 B8R1.3 NC1=CC=C(F)N=C1 CS22740 [2,0,0,0,0,0|2,0,0]=4 497 B8R1.3 NC1=CC=C(N)C=C1 CS18589 [2,0,0,0,0,0|1,0,0]=3 498 B8R1.3 NC1=CC=C(O)C=C1 MC41146 [2,0,0,0,0,0|0,0,0]=2 499 B8R1.3 NC1=CC=C(O)C=N1 CS13087 [2,0,0,0,0,0|1,0,0]=3 500 B8R1.3 NC1=CC=C(O)C=N1 CS18367 [2,0,0,0,0,0|1,0,0]=3 501 B8R1.3 NC1=CC=C(S)C=C1 MC20109 [2,0,0,0,0,0|0,1,0]=3 502 B8R1.3 NC1=CN=C(N)C=C1 CS15186 [2,0,0,0,0,0|2,0,0]=4 503 B8R1.3 NC1=CN=C(O)C=C1 CS10211 [2,0,0,0,0,0|1,0,0]=3 504 B8R1.3 NC1=CN=C(O)C=C1 CS18129 [2,0,0,0,0,0|1,0,0]=3 505 B8R1.3 NC1=CN=C(O)N=C1 MC444379 [2,0,0,0,0,0|2,0,0]=4 506 B8R1.3 NC1=CNC(=O)C=C1 CS15177 [2,0,0,0,0,0|1,0,1]=4 507 B8R1.3 NC1=NC=C(Br)C=C1 CS21813 [2,0,0,0,0,0|2,0,0]=4 508 B8R1.3 NC1=NC=C(Cl)C=C1 CS21816 [2,0,0,0,0,0|2,0,0]=4 509 B8R1.3 NC1=NC=C(F)C=C1 CS21818 [2,0,0,0,0,0|2,0,0]=4 510 B8R1.3 NC1=NC=C(I)C=C1 CS17736 [2,0,0,0,0,0|2,0,0]=4 511 B8R1.3 NC1=NC=C(O)C=N1 CS17222 [2,0,0,0,0,0|2,0,0]=4 512 B8R1.3 O=C1C=CC(=O)C=C1 CS20528 [2,0,0,0,0,0|1,0,1]=4 513 B8R1.3 O=C1C=CC(O)=CN1 CS15928 [2,0,0,0,0,0|2,0,0]=4 514 B8R1.3 OC1=CC=C(Br)C=C1 MC41163 [2,0,0,0,0,0|1,0,0]=3 515 B8R1.3 OC1=CC=C(Br)N=C1 CS14988 [2,0,0,0,0,0|2,0,0]=4 516 B8R1.3 OC1=CC=C(Cl)C=C1 CS22792 [2,0,0,0,0,0|1,0,0]=3 517 B8R1.3 OC1=CC=C(Cl)N=C1 CS21853 [2,0,0,0,0,0|2,0,0]=4 518 B8R1.3 OC1=CC=C(F)C=C1 MC41198 [2,0,0,0,0,0|1,0,0]=3 519 B8R1.3 OC1=CC=C(F)N=C1 CS14991 [2,0,0,0,0,0|2,0,0]=4 520 B8R1.3 OC1=CC=C(I)C=C1 MC20152 [2,0,0,0,0,0|1,0,0]=3 521 B8R1.3 OC1=CC=C(I)N=C1 MC107165 [2,0,0,0,0,0|2,0,0]=4 522 B8R1.3 OC1=CC=C(O)C=C1 MC41215 [2,0,0,0,0,0|1,0,0]=3 523 B8R1.3 OC1=CN=C(O)C=C1 CS21147 [2,0,0,0,0,0|2,0,0]=4 524 B8R1.3 OC1=NC=C(Br)C=C1 CS22706 [2,0,0,0,0,0|2,0,0]=4 525 B8R1.3 OC1=NC=C(F)C=C1 MC429397 [2,0,0,0,0,0|2,0,0]=4 526 B8R1.3 OC1=NC=C(I)C=C1 CS13623 [2,0,0,0,0,0|2,0,0]=4 527 B8R1.3 SC1=CC=C(Br)C=C1 MC20198 [2,0,0,0,0,0|1,1,0]=4 528 B10R1.3 BrCC1=CC=C(CBr)C=C1 MC40512 [1,1,0,0,0,0|2,0,0]=4 529 B10R1.3 C#CC1=CC=C(CC)C=C1 CS11051 [1,1,0,0,0,0|1,0,0]=3 530 B10R1.3 C#CC1=CC=C(OC)C=C1 CS21617 [1,1,0,0,0,0|0,0,2]=4 531 B10R1.3 C=CC1=NC=C(CC)C=C1 MC111111 [1,1,0,0,0,0|2,0,0]=4 532 B10R1.3 CCC1=CC=C(CCl)C=C1 MC40596 [1,1,0,0,0,0|1,0,0]=3 533 B10R1.3 CCC1=CC=C(NN)C=C1 CS16126 [1,1,0,0,0,0|1,0,0]=3 534 B10R1.3 COC1=CC=C(C#N)C=C1 CS19381 [1,1,0,0,0,0|0,0,2]=4 535 B10R1.3 COC1=CC=C(C=O)C=C1 CS18687 [1,1,0,0,0,0|1,0,1]=4 536 B10R1.3 COC1=CC=C(CCl)C=C1 MC20866 [1,1,0,0,0,0|1,0,0]=3 537 B10R1.3 COC1=CC=C(CN)C=C1 CS18898 [1,1,0,0,0,0|0,0,0]=2 538 B10R1.3 COC1=CC=C(CN)C=N1 MC103395 [1,1,0,0,0,0|1,0,0]=3 539 B10R1.3 COC1=CC=C(CO)C=C1 CS22932 [1,1,0,0,0,0|1,0,0]=3 540 B10R1.3 COC1=CC=C(CO)C=N1 CS15243 [1,1,0,0,0,0|2,0,0]=4 541 B10R1.3 COC1=CC=C(NN)C=C1 CS19581 [1,1,0,0,0,0|1,0,0]=3 542 B10R1.3 COC1=CC=C(OC)C=C1 MC41357 [1,1,0,0,0,0|1,0,0]=3 543 B10R1.3 COC1=CN=C(CBr)C=C1 CS18482 [1,1,0,0,0,0|2,0,0]=4 544 B10R1.3 COC1=CN=C(CCl)C=C1 CS12684 [1,1,0,0,0,0|2,0,0]=4 545 B10R1.3 COC1=CN=C(CCl)C=C1 MC105068 [1,1,0,0,0,0|2,0,0]=4 546 B10R1.3 COC1=CN=C(CN)C=C1 MC431302 [1,1,0,0,0,0|1,0,0]=3 547 B10R1.3 COC1=CN=C(CO)C=C1 MC443535 [1,1,0,0,0,0|2,0,0]=4 548 B10R1.3 COC1=NC=C(CBr)C=C1 CS17111 [1,1,0,0,0,0|2,0,0]=4 549 B10R1.3 COC1=NC=C(CCl)C=C1 CS16575 [1,1,0,0,0,0|2,0,0]=4 550 B10R1.3 COC1=NC=C(CN)C=N1 CS16815 [1,1,0,0,0,0|2,0,0]=4 551 B10R1.3 COC1=NC=C(NN)C=C1 CS16925 [1,1,0,0,0,0|2,0,0]=4 552 B10R1.3 CSC1=CC=C(CN)C=C1 MC433900 [1,1,0,0,0,0|0,1,0]=3 553 B10R1.3 N#CC1=CC=C(CBr)C=C1 CS18792 [1,1,0,0,0,0|2,0,0]=4 554 B10R1.3 N#CC1=CC=C(CCl)C=C1 CS17835 [1,1,0,0,0,0|2,0,0]=4 555 B10R1.3 N#CC1=CC=C(CN)C=C1 CS19851 [1,1,0,0,0,0|1,0,0]=3 556 B10R1.3 N#CC1=CC=C(CN)C=C1 MC40812 [1,1,0,0,0,0|1,0,0]=3 557 B10R1.3 N#CC1=CC=C(NN)C=C1 CS20304 [1,1,0,0,0,0|2,0,0]=4 558 B10R1.3 NCC1=CC=C(CO)C=C1 CS18290 [1,1,0,0,0,0|0,0,0]=2 559 B10R1.3 O=CC1=CC=C(CBr)C=C1 MC41097 [1,1,0,0,0,0|1,0,1]=4 560 B10R1.3 O=CC1=CC=C(CO)C=C1 CS15415 [1,1,0,0,0,0|1,0,1]=4 561 B10R1.3 OCC1=CC=C(CBr)C=C1 CS20041 [1,1,0,0,0,0|1,0,0]=3 562 B10R1.3 OCC1=CC=C(CO)C=C1 CS20456 [1,1,0,0,0,0|1,0,0]=3 563 B10R1.13 C=C(C)C1=CC=C(O)C=C1 MC441020 [1,1,0,0,0,0|0,0,1]=3 564 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 CS19447 [1,1,0,0,0,0|1,0,1]=4 565 B10R1.13 CC(=O)C1=CC=C(C)C=C1 CS13558 [1,1,0,0,0,0|1,0,1]=4 566 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 CS20014 [1,1,0,0,0,0|1,0,1]=4 567 B10R1.13 CC(=O)C1=CC=C(F)C=C1 CS14299 [1,1,0,0,0,0|1,0,1]=4 568 B10R1.13 CC(=O)C1=CC=C(N)C=C1 MC20162 [1,1,0,0,0,0|1,0,1]=4 569 B10R1.13 CC(=O)C1=CC=C(O)C=C1 CS22884 [1,1,0,0,0,0|0,0,1]=3 570 B10R1.13 CC(=O)C1=CC=C(O)N=C1 CS12692 [1,1,0,0,0,0|1,0,1]=4 571 B10R1.13 CC(=O)c1ccc(I)cc1 MC433245 [1,1,0,0,0,0|1,0,1]=4 572 B10R1.13 CC(Br)C1=CC=C(F)C=C1 CS16140 [1,1,0,0,0,0|1,0,0]=3 573 B10R1.13 CC(C)C1=CC=C(Br)C=C1 CS19162 [1,1,0,0,0,0|1,0,0]=3 574 B10R1.13 CC(C)C1=CC=C(N)C=C1 CS22915 [1,1,0,0,0,0|1,0,0]=3 575 B10R1.13 CC(C)C1=CC=C(N)C=N1 CS22406 [1,1,0,0,0,0|2,0,0]=4 576 B10R1.13 CC(C)C1=CN=C(Br)C=C1 MC432364 [1,1,0,0,0,0|2,0,0]=4 577 B10R1.13 CC(C)C1=CN=C(Cl)C=C1 MC107619 [1,1,0,0,0,0|2,0,0]=4 578 B10R1.13 CC(C)C1=CN=C(N)C=C1 CS21752 [1,1,0,0,0,0|2,0,0]=4 579 B10R1.13 CC(N)C1=CC=C(Br)C=C1 CS10540 [1,1,0,0,0,0|1,0,0]=3 580 B10R1.13 CC(N)C1=CC=C(Br)C=C1 CS20256 [1,1,0,0,0,0|1,0,0]=3 581 B10R1.13 CC(N)C1=CC=C(F)C=C1 CS19253 [1,1,0,0,0,0|1,0,0]=3 582 B10R1.13 CC(N)C1=CC=C(F)C=C1 MC40832 [1,1,0,0,0,0|1,0,0]=3 583 B10R1.13 CC(N)C1=CC=C(F)C=C1 MC429424 [1,1,0,0,0,0|1,0,0]=3 584 B10R1.13 CC(N)C1=CC=C(I)C=C1 MC113505 [1,1,0,0,0,0|1,0,0]=3 585 B10R1.13 CC(N)C1=CC=C(N)C=C1 CS22422 [1,1,0,0,0,0|1,0,0]=3 586 B10R1.13 CC(N)C1=NC=C(F)C=C1 CS16980 [1,1,0,0,0,0|2,0,0]=4 587 B10R1.13 CC(N)C1=NC=C(F)C=C1 MC102962 [1,1,0,0,0,0|2,0,0]=4 588 B10R1.13 CC(N)c1ccc(Cl)cc1 MC433903 [1,1,0,0,0,0|1,0,0]=3 589 B10R1.13 CC(O)C1=CC=C(F)C=C1 MC33129 [1,1,0,0,0,0|1,0,0]=3 590 B10R1.13 CC(O)C1=CC=C(N)C=C1 MC40728 [1,1,0,0,0,0|1,0,0]=3 591 B10R1.13 CC1=CC=C(C(=N)N)C=C1 CS20439 [1,1,0,0,0,0|1,0,1]=4 592 B10R1.13 CC1=CC=C(C(N)=O)C=C1 CS11895 [1,1,0,0,0,0|1,0,1]=4 593 B10R1.13 CC1=CC=C(S(N)=O)C=C1 CS18822 [1,1,0,0,0,0|2,0,0]=4 594 B10R1.13 CN(C)C1=CC=C(Br)C=C1 CS15132 [1,1,0,0,0,0|2,0,0]=4 595 B10R1.13 CN(C)C1=CC=C(Cl)C=C1 MC20289 [1,1,0,0,0,0|2,0,0]=4 596 B10R1.13 CN(C)C1=CC=C(I)C=C1 CS16430 [1,1,0,0,0,0|2,0,0]=4 597 B10R1.13 CN(C)C1=CC=C(O)C=C1 CS16528 [1,1,0,0,0,0|1,0,0]=3 598 B10R1.13 CN(C)C1=CC=C(O)C=C1 MC442505 [1,1,0,0,0,0|1,0,0]=3 599 B10R1.13 Cc1ccc(C(C)C)cc1 MC444976 [1,1,0,0,0,0|1,0,0]=3 600 B10R1.13 FC(F)C1=CC=C(Br)C=C1 MC33151 [1,1,0,0,0,0|2,0,0]=4 601 B10R1.13 FC1=CC=C(C(Cl)Cl)C=C1 MC33143 [1,1,0,0,0,0|2,0,0]=4 602 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 MC21022 [1,1,0,0,0,0|1,0,1]=4 603 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 CS20283 [1,1,0,0,0,0|1,0,1]=4 604 B10R1.13 N=C(N)C1=CC=C(F)C=C1 CS18318 [1,1,0,0,0,0|1,0,1]=4 605 B10R1.13 N=C(N)C1=CC=C(N)C=C1 CS21974 [1,1,0,0,0,0|1,0,1]=4 606 B10R1.13 NC(=O)C1=CC=C(F)C=C1 CS10426 [1,1,0,0,0,0|1,0,1]=4 607 B10R1.13 NC(=S)C1=CC=C(O)C=C1 CS20343 [1,1,0,0,0,0|0,0,1]=3 608 B10R1.13 NC1=CC=C(C(F)F)C=C1 CS17592 [1,1,0,0,0,0|2,0,0]=4 609 B10R1.13 O=C(O)C1=CC=C(O)C=C1 CS22885 [1,1,0,0,0,0|1,0,1]=4 610 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 MC41207 [1,1,0,0,0,0|2,0,0]=4 611 B10R1.13 OB(O)C1=CC=C(O)C=C1 CS19452 [1,1,0,0,0,0|2,0,0]=4 612 B10R1.13 OC1=CC=C(C(F)F)C=C1 CS15692 [1,1,0,0,0,0|1,0,0]=3 613 B10R1.13 OC1=CC=C(C(F)F)N=C1 MC429310 [1,1,0,0,0,0|2,0,0]=4 614 B10R1.25 CC1=C(C#N)C=CC(O)=C1 MC442235 [1,1,0,0,0,0|0,0,2]=4 615 B10R1.25 CC1=C(C=O)C=CC(O)=C1 CS20933 [1,1,0,0,0,0|1,0,1]=4 616 B10R1.25 CC1=C(CCl)C=CC(Br)=C1 MC107510 [1,1,0,0,0,0|2,0,0]=4 617 B10R1.25 CC1=C(CN)C=CC(Br)=C1 MC20891 [1,1,0,0,0,0|1,0,0]=3 618 B10R1.25 CC1=C(CN)C=CC(F)=C1 MC40830 [1,1,0,0,0,0|1,0,0]=3 619 B10R1.25 CC1=C(CN)C=CC(O)=C1 MC442240 [1,1,0,0,0,0|0,0,0]=2 620 B10R1.25 CC1=C(CN)C=NC(Cl)=C1 MC116266 [1,1,0,0,0,0|2,0,0]=4 621 B10R1.25 CC1=C(CO)C=CC(Br)=C1 MC433849 [1,1,0,0,0,0|2,0,0]=4 622 B10R1.25 CC1=CC(Br)=C(CN)C=C1 MC112223 [1,1,0,0,0,0|1,0,0]=3 623 B10R1.25 CC1=CC(C)=C(CBr)C=C1 CS21116 [1,1,0,0,0,0|2,0,0]=4 624 B10R1.25 CC1=CC(C)=C(CCl)C=C1 MC40593 [1,1,0,0,0,0|2,0,0]=4 625 B10R1.25 CC1=CC(C)=C(NN)C=C1 CS20500 [1,1,0,0,0,0|2,0,0]=4 626 B10R1.25 CC1=CC(Cl)=C(NN)C=C1 CS20405 [1,1,0,0,0,0|2,0,0]=4 627 B10R1.25 CC1=CC(Cl)=C(NN)C=C1 MC433989 [1,1,0,0,0,0|2,0,0]=4 628 B10R1.25 CC1=CC(N)=C(CO)C=C1 CS21019 [1,1,0,0,0,0|2,0,0]=4 629 B10R1.25 CC1=CN=C(CN)C(C)=C1 MC116261 [1,1,0,0,0,0|2,0,0]=4 630 B10R1.25 CCC1=C(Br)C=C(N)C=C1 MC33284 [1,1,0,0,0,0|1,0,0]=3 631 B10R1.25 CCC1=C(Cl)C=C(N)C=C1 MC442501 [1,1,0,0,0,0|1,0,0]=3 632 B10R1.25 CCC1=C(N)C=C(F)C=C1 MC40914 [1,1,0,0,0,0|1,0,0]=3 633 B10R1.25 CCC1=NC=C(Br)C=C1N MC103443 [1,1,0,0,0,0|2,0,0]=4 634 B10R1.25 CCN1C=CC(Br)=CC1=O MC105073 [1,1,0,0,0,0|2,0,0]=4 635 B10R1.25 CNC1=CC=C(Br)C=C1N MC443280 [1,1,0,0,0,0|2,0,0]=4 636 B10R1.25 COC1=C(Br)C=C(Cl)C=C1 CS20168 [1,1,0,0,0,0|2,0,0]=4 637 B10R1.25 COC1=C(Br)C=C(F)C=C1 MC30075 [1,1,0,0,0,0|2,0,0]=4 638 B10R1.25 COC1=C(Br)C=C(I)C=C1 MC41320 [1,1,0,0,0,0|2,0,0]=4 639 B10R1.25 COC1=C(Br)C=C(N)C=C1 MC20804 [1,1,0,0,0,0|2,0,0]=4 640 B10R1.25 COC1=C(Br)C=C(O)C=C1 CS18795 [1,1,0,0,0,0|1,0,0]=3 641 B10R1.25 COC1=C(Br)C=C(O)C=N1 MC432022 [1,1,0,0,0,0|2,0,0]=4 642 B10R1.25 COC1=C(C)C=C(Br)C=C1 CS22652 [1,1,0,0,0,0|2,0,0]=4 643 B10R1.25 COC1=C(C)C=C(I)C=C1 MC41343 [1,1,0,0,0,0|2,0,0]=4 644 B10R1.25 COC1=C(C)C=C(N)C=C1 CS18714 [1,1,0,0,0,0|2,0,0]=4 645 B10R1.25 COC1=C(C)C=C(O)C=C1 MC442018 [1,1,0,0,0,0|1,0,0]=3 646 B10R1.25 COC1=C(Cl)C=C(C)C=C1 MC442301 [1,1,0,0,0,0|2,0,0]=4 647 B10R1.25 COC1=C(Cl)C=C(F)C=C1 MC30033 [1,1,0,0,0,0|2,0,0]=4 648 B10R1.25 COC1=C(Cl)C=C(N)C=C1 CS14858 [1,1,0,0,0,0|2,0,0]=4 649 B10R1.25 COC1=C(Cl)C=C(O)C=C1 MC442396 [1,1,0,0,0,0|1,0,0]=3 650 B10R1.25 COC1=C(F)C=C(Br)C=C1 MC30240 [1,1,0,0,0,0|2,0,0]=4 651 B10R1.25 COC1=C(F)C=C(I)C=C1 MC425677 [1,1,0,0,0,0|2,0,0]=4 652 B10R1.25 COC1=C(F)C=C(N)C=C1 CS10515 [1,1,0,0,0,0|2,0,0]=4 653 B10R1.25 COC1=C(F)C=C(O)C=C1 CS22287 [1,1,0,0,0,0|1,0,0]=3 654 B10R1.25 COC1=C(I)C=C(Br)C=C1 CS17024 [1,1,0,0,0,0|2,0,0]=4 655 B10R1.25 COC1=C(I)C=C(Cl)C=C1 MC41330 [1,1,0,0,0,0|2,0,0]=4 656 B10R1.25 COC1=C(I)C=C(N)C=C1 CS18915 [1,1,0,0,0,0|2,0,0]=4 657 B10R1.25 COC1=C(I)C=C(N)C=C1 CS19301 [1,1,0,0,0,0|2,0,0]=4 658 B10R1.25 COC1=C(N)C=C(Br)C=C1 CS10268 [1,1,0,0,0,0|2,0,0]=4 659 B10R1.25 COC1=C(N)C=C(C)C=C1 CS13548 [1,1,0,0,0,0|2,0,0]=4 660 B10R1.25 COC1=C(N)C=C(F)C=C1 MC30206 [1,1,0,0,0,0|2,0,0]=4 661 B10R1.25 COC1=C(N)C=C(I)C=C1 MC428313 [1,1,0,0,0,0|2,0,0]=4 662 B10R1.25 COC1=C(N)C=C(N)C=C1 CS21066 [1,1,0,0,0,0|2,0,0]=4 663 B10R1.25 COC1=C(O)C=C(C)C=C1 MC442401 [1,1,0,0,0,0|2,0,0]=4 664 B10R1.25 COC1=C(O)C=C(Cl)C=C1 MC442017 [1,1,0,0,0,0|2,0,0]=4 665 B10R1.25 COC1=C(O)C=C(F)C=C1 CS15779 [1,1,0,0,0,0|2,0,0]=4 666 B10R1.25 CSC1=C(Br)C=C(Cl)C=C1 MC428294 [1,1,0,0,0,0|2,0,0]=4 667 B10R1.25 CSC1=C(C)C=C(O)C=C1 MC20571 [1,1,0,0,0,0|1,0,0]=3 668 B10R1.25 CSC1=C(F)C=C(F)C=C1 MC430845 [1,1,0,0,0,0|2,0,0]=4 669 B10R1.25 CSC1=C(F)C=C(O)C=C1 MC431554 [1,1,0,0,0,0|1,0,0]=3 670 B10R1.25 ClC1=C(CBr)C=CC(Br)=C1 CS15047 [1,1,0,0,0,0|2,0,0]=4 671 B10R1.25 ClC1=CC(Br)=C(CBr)C=C1 MC40516 [1,1,0,0,0,0|2,0,0]=4 672 B10R1.25 ClC1=CC(Cl)=C(CBr)C=C1 CS21097 [1,1,0,0,0,0|2,0,0]=4 673 B10R1.25 ClCC1=C(Cl)C=C(Cl)C=C1 CS19427 [1,1,0,0,0,0|2,0,0]=4 674 B10R1.25 FC1=C(CBr)C=CC(Br)=C1 MC40521 [1,1,0,0,0,0|2,0,0]=4 675 B10R1.25 FC1=CC(Br)=C(CBr)C=C1 CS20064 [1,1,0,0,0,0|2,0,0]=4 676 B10R1.25 FC1=CC(Cl)=C(CBr)C=C1 MC40529 [1,1,0,0,0,0|2,0,0]=4 677 B10R1.25 FC1=CC(Cl)=C(CCl)C=C1 MC40583 [1,1,0,0,0,0|2,0,0]=4 678 B10R1.25 FC1=CC(F)=C(CBr)C=C1 MC40543 [1,1,0,0,0,0|2,0,0]=4 679 B10R1.25 FC1=CC(F)=C(CCl)C=C1 MC40591 [1,1,0,0,0,0|2,0,0]=4 680 B10R1.25 N#CC1=C(Cl)C=C(O)C=C1 MC20251 [1,1,0,0,0,0|0,0,2]=4 681 B10R1.25 N#CC1=C(F)C=C(O)C=C1 CS20032 [1,1,0,0,0,0|0,0,2]=4 682 B10R1.25 N#CC1=C(I)C=C(O)C=C1 MC111940 [1,1,0,0,0,0|0,0,2]=4 683 B10R1.25 N#CC1=C(O)C=C(O)C=C1 MC10369 [1,1,0,0,0,0|0,0,2]=4 684 B10R1.25 NC1=C(CF)C=CC(F)=C1 MC431124 [1,1,0,0,0,0|2,0,0]=4 685 B10R1.25 NCC1=C(Cl)C=C(Cl)C=C1 MC40814 [1,1,0,0,0,0|1,0,0]=3 686 B10R1.25 NCC1=C(Cl)C=C(F)C=C1 MC40806 [1,1,0,0,0,0|1,0,0]=3 687 B10R1.25 NCC1=C(F)C=C(Br)C=C1 MC40800 [1,1,0,0,0,0|1,0,0]=3 688 B10R1.25 NCC1=C(F)C=C(Cl)C=C1 MC30230 [1,1,0,0,0,0|1,0,0]=3 689 B10R1.25 NCC1=C(F)C=C(Cl)N=C1 MC431960 [1,1,0,0,0,0|2,0,0]=4 690 B10R1.25 NCC1=C(F)C=C(F)C=C1 CS10473 [1,1,0,0,0,0|1,0,0]=3 691 B10R1.25 NCC1=CC=C(Cl)N=C1F MC432308 [1,1,0,0,0,0|2,0,0]=4 692 B10R1.25 NCC1=NC=C(Br)C=C1F MC101937 [1,1,0,0,0,0|2,0,0]=4 693 B10R1.25 NCC1=NC=C(Br)C=C1F MC104001 [1,1,0,0,0,0|2,0,0]=4 694 B10R1.25 NCC1=NC=C(Cl)C=C1Br MC111180 [1,1,0,0,0,0|2,0,0]=4 695 B10R1.25 NCC1=NC=C(Cl)C=C1F MC116265 [1,1,0,0,0,0|2,0,0]=4 696 B10R1.25 NNC1=C(Cl)C=C(Cl)C=C1 CS23006 [1,1,0,0,0,0|2,0,0]=4 697 B10R1.25 NNC1=C(Cl)C=C(F)C=C1 CS19087 [1,1,0,0,0,0|2,0,0]=4 698 B10R1.25 NNC1=C(Cl)C=C(I)C=C1 CS17119 [1,1,0,0,0,0|2,0,0]=4 699 B10R1.25 NNC1=C(Cl)C=C(I)C=C1 MC115507 [1,1,0,0,0,0|2,0,0]=4 700 B10R1.25 NNC1=C(F)C=C(Br)C=C1 CS18334 [1,1,0,0,0,0|2,0,0]=4 701 B10R1.25 NNC1=C(F)C=C(Cl)C=C1 MC40993 [1,1,0,0,0,0|2,0,0]=4 702 B10R1.25 NNC1=C(F)C=C(F)C=C1 CS23012 [1,1,0,0,0,0|2,0,0]=4 703 B10R1.25 NNC1=C(F)C=C(F)C=C1 MC40994 [1,1,0,0,0,0|2,0,0]=4 704 B10R1.25 O=CC1=C(Br)C=C(O)C=C1 CS16052 [1,1,0,0,0,0|1,0,1]=4 705 B10R1.25 O=CC1=C(Cl)C=C(O)C=C1 CS10340 [1,1,0,0,0,0|1,0,1]=4 706 B10R1.25 O=CC1=C(F)C=C(O)C=C1 CS10365 [1,1,0,0,0,0|1,0,1]=4 707 B10R1.25 O=CC1=C(I)C=C(O)C=C1 CS16844 [1,1,0,0,0,0|1,0,1]=4 708 B10R1.25 O=CC1=C(O)C=C(O)C=C1 CS19428 [1,1,0,0,0,0|1,0,1]=4 709 B10R1.25 OCC1=C(Br)C=C(Br)C=C1 CS21073 [1,1,0,0,0,0|2,0,0]=4 710 B10R1.25 OCC1=C(Cl)C=C(Br)C=C1 MC427221 [1,1,0,0,0,0|2,0,0]=4 711 B10R1.25 OCC1=C(F)C=C(Cl)C=C1 MC40693 [1,1,0,0,0,0|2,0,0]=4 712 B10R1.25 OCC1=C(F)C=C(F)C=C1 MC33159 [1,1,0,0,0,0|2,0,0]=4 713 B10R1.25 OCC1=C(F)C=C(O)C=C1 CS13215 [1,1,0,0,0,0|1,0,0]=3 714 B10R1.25 OCC1=C(O)C=C(Br)C=C1 CS10248 [1,1,0,0,0,0|2,0,0]=4 715 B10R1.176 CC1=C(Br)C=C(CBr)C=C1 CS16721 [1,1,0,0,0,0|2,0,0]=4 716 B10R1.176 CC1=C(Br)C=C(CO)C=C1 MC33229 [1,1,0,0,0,0|2,0,0]=4 717 B10R1.176 CC1=C(Br)C=CC(CO)=C1 MC111151 [1,1,0,0,0,0|2,0,0]=4 718 B10R1.176 CC1=C(C)C=C(CBr)C=C1 CS14390 [1,1,0,0,0,0|2,0,0]=4 719 B10R1.176 CC1=C(C)C=C(CN)C=C1 MC40823 [1,1,0,0,0,0|1,0,0]=3 720 B10R1.176 CC1=C(C)C=C(CO)C=C1 MC40706 [1,1,0,0,0,0|2,0,0]=4 721 B10R1.176 CC1=C(C)C=C(NN)C=C1 CS20502 [1,1,0,0,0,0|2,0,0]=4 722 B10R1.176 CC1=C(Cl)C=C(CN)C=C1 MC433895 [1,1,0,0,0,0|1,0,0]=3 723 B10R1.176 CC1=C(F)C=C(NN)C=C1 CS22289 [1,1,0,0,0,0|2,0,0]=4 724 B10R1.176 CC1=C(F)C=CC(CN)=C1 MC40831 [1,1,0,0,0,0|1,0,0]=3 725 B10R1.176 CC1=C(O)C=CC(C#N)=C1 CS17416 [1,1,0,0,0,0|0,0,2]=4 726 B10R1.176 CC1=C(O)C=CC(C=O)=C1 CS20934 [1,1,0,0,0,0|1,0,1]=4 727 B10R1.176 CC1=C(O)C=CC(CN)=C1 MC445599 [1,1,0,0,0,0|0,0,0]=2 728 B10R1.176 CCC1=CC(N)=C(O)C=C1 MC442496 [1,1,0,0,0,0|0,0,0]=2 729 B10R1.176 CCC1=CC(O)=C(Cl)C=C1 MC432619 [1,1,0,0,0,0|1,0,0]=3 730 B10R1.176 CCC1=CC(O)=C(N)C=C1 CS16266 [1,1,0,0,0,0|1,0,0]=3 731 B10R1.176 CCC1=CC=C(O)C(O)=C1 MC441226 [1,1,0,0,0,0|0,0,0]=2 732 B10R1.176 CN1C=C(CN)C=CC1=O MC103927 [1,1,0,0,0,0|1,0,1]=4 733 B10R1.176 CN1C=CC(CN)=CC1=O MC103393 [1,1,0,0,0,0|2,0,0]=4 734 B10R1.176 CNC1=CC(Cl)=C(Cl)C=C1 MC433301 [1,1,0,0,0,0|2,0,0]=4 735 B10R1.176 COC1=CC(Br)=C(Br)C=C1 MC433376 [1,1,0,0,0,0|2,0,0]=4 736 B10R1.176 COC1=CC(Br)=C(Br)C=C1 MC442365 [1,1,0,0,0,0|2,0,0]=4 737 B10R1.176 COC1=CC(Br)=C(C)C=C1 CS16376 [1,1,0,0,0,0|2,0,0]=4 738 B10R1.176 COC1=CC(Br)=C(Cl)C=C1 MC433350 [1,1,0,0,0,0|2,0,0]=4 739 B10R1.176 COC1=CC(Br)=C(F)C=C1 CS15238 [1,1,0,0,0,0|2,0,0]=4 740 B10R1.176 COC1=CC(Br)=C(N)C=C1 CS21359 [1,1,0,0,0,0|2,0,0]=4 741 B10R1.176 COC1=CC(Br)=C(O)C=C1 MC30339 [1,1,0,0,0,0|1,0,0]=3 742 B10R1.176 COC1=CC(Br)=C(O)C=C1 MC41160 [1,1,0,0,0,0|1,0,0]=3 743 B10R1.176 COC1=CC(C)=C(Br)C=C1 MC33099 [1,1,0,0,0,0|2,0,0]=4 744 B10R1.176 COC1=CC(C)=C(N)C=C1 CS13421 [1,1,0,0,0,0|2,0,0]=4 745 B10R1.176 COC1=CC(C)=C(O)C=C1 CS15470 [1,1,0,0,0,0|1,0,0]=3 746 B10R1.176 COC1=CC(Cl)=C(Br)C=C1 CS14601 [1,1,0,0,0,0|2,0,0]=4 747 B10R1.176 COC1=CC(Cl)=C(C)C=C1 MC41331 [1,1,0,0,0,0|2,0,0]=4 748 B10R1.176 COC1=CC(Cl)=C(Cl)C=C1 MC41335 [1,1,0,0,0,0|2,0,0]=4 749 B10R1.176 COC1=CC(Cl)=C(I)C=C1 MC442237 [1,1,0,0,0,0|2,0,0]=4 750 B10R1.176 COC1=CC(Cl)=C(N)C=C1 CS14656 [1,1,0,0,0,0|2,0,0]=4 751 B10R1.176 COC1=CC(Cl)=C(O)C=C1 CS20293 [1,1,0,0,0,0|1,0,0]=3 752 B10R1.176 COC1=CC(F)=C(Br)C=C1 CS10396 [1,1,0,0,0,0|2,0,0]=4 753 B10R1.176 COC1=CC(F)=C(C)C=C1 CS10872 [1,1,0,0,0,0|2,0,0]=4 754 B10R1.176 COC1=CC(F)=C(Cl)C=C1 MC33148 [1,1,0,0,0,0|2,0,0]=4 755 B10R1.176 COC1=CC(F)=C(N)C=C1 MC40916 [1,1,0,0,0,0|2,0,0]=4 756 B10R1.176 COC1=CC(F)=C(N)C=C1 MC433345 [1,1,0,0,0,0|2,0,0]=4 757 B10R1.176 COC1=CC(F)=C(O)C=C1 MC441061 [1,1,0,0,0,0|1,0,0]=3 758 B10R1.176 COC1=CC(I)=C(Br)C=C1 MC433361 [1,1,0,0,0,0|2,0,0]=4 759 B10R1.176 COC1=CC(I)=C(N)C=C1 MC20577 [1,1,0,0,0,0|2,0,0]=4 760 B10R1.176 COC1=CC(N)=C(Br)C=C1 CS18386 [1,1,0,0,0,0|2,0,0]=4 761 B10R1.176 COC1=CC(N)=C(C)C=C1 CS14868 [1,1,0,0,0,0|2,0,0]=4 762 B10R1.176 COC1=CC(N)=C(Cl)C=C1 CS13990 [1,1,0,0,0,0|2,0,0]=4 763 B10R1.176 COC1=CC(N)=C(F)C=C1 CS12726 [1,1,0,0,0,0|2,0,0]=4 764 B10R1.176 COC1=CC(N)=C(I)C=C1 CS15023 [1,1,0,0,0,0|2,0,0]=4 765 B10R1.176 COC1=CC(N)=C(I)C=C1 MC30213 [1,1,0,0,0,0|2,0,0]=4 766 B10R1.176 COC1=CC(N)=C(N)C=C1 MC433373 [1,1,0,0,0,0|2,0,0]=4 767 B10R1.176 COC1=CC(N)=C(O)C=C1 CS21254 [1,1,0,0,0,0|1,0,0]=3 768 B10R1.176 COC1=CC(O)=C(Br)C=C1 CS21376 [1,1,0,0,0,0|2,0,0]=4 769 B10R1.176 COC1=CC(O)=C(Cl)C=C1 MC442395 [1,1,0,0,0,0|2,0,0]=4 770 B10R1.176 COC1=CC(O)=C(F)C=C1 MC430013 [1,1,0,0,0,0|2,0,0]=4 771 B10R1.176 COC1=CC(O)=C(N)C=C1 CS21584 [1,1,0,0,0,0|2,0,0]=4 772 B10R1.176 COC1=CC=C(O)C(O)=C1 MC442392 [1,1,0,0,0,0|1,0,0]=3 773 B10R1.176 CSC1=CC(F)=C(Br)C=C1 MC41376 [1,1,0,0,0,0|2,0,0]=4 774 B10R1.176 ClC1=C(Br)C=CC(CBr)=C1 MC40517 [1,1,0,0,0,0|2,0,0]=4 775 B10R1.176 ClC1=C(Cl)C=C(CBr)C=C1 CS18826 [1,1,0,0,0,0|2,0,0]=4 776 B10R1.176 ClCC1=CC(Cl)=C(Cl)C=C1 MC40590 [1,1,0,0,0,0|2,0,0]=4 777 B10R1.176 FC1=C(Br)C=C(CBr)C=C1 MC40520 [1,1,0,0,0,0|2,0,0]=4 778 B10R1.176 FC1=C(Br)C=CC(CBr)=C1 MC40522 [1,1,0,0,0,0|2,0,0]=4 779 B10R1.176 FC1=C(Cl)C=C(CBr)C=C1 MC20082 [1,1,0,0,0,0|2,0,0]=4 780 B10R1.176 FC1=C(Cl)C=C(CCl)C=C1 MC40584 [1,1,0,0,0,0|2,0,0]=4 781 B10R1.176 FC1=C(Cl)C=CC(CBr)=C1 CS19666 [1,1,0,0,0,0|2,0,0]=4 782 B10R1.176 FC1=C(Cl)C=CC(CCl)=C1 MC40585 [1,1,0,0,0,0|2,0,0]=4 783 B10R1.176 FC1=C(F)C=C(CBr)C=C1 MC40546 [1,1,0,0,0,0|2,0,0]=4 784 B10R1.176 FC1=C(F)C=C(CCl)C=C1 MC433089 [1,1,0,0,0,0|2,0,0]=4 785 B10R1.176 N#CC1=CC(Br)=C(O)C=C1 CS10311 [1,1,0,0,0,0|0,0,2]=4 786 B10R1.176 N#CC1=CC(Cl)=C(O)C=C1 CS18887 [1,1,0,0,0,0|0,0,2]=4 787 B10R1.176 N#CC1=CC(F)=C(O)C=C1 CS14303 [1,1,0,0,0,0|0,0,2]=4 788 B10R1.176 N#CC1=CC(N)=C(O)C=C1 CS21247 [1,1,0,0,0,0|0,0,2]=4 789 B10R1.176 N#CC1=CC(O)=C(O)C=C1 MC20147 [1,1,0,0,0,0|0,0,2]=4 790 B10R1.176 NCC1=CC(Br)=C(F)C=C1 MC40799 [1,1,0,0,0,0|1,0,0]=3 791 B10R1.176 NCC1=CC(Cl)=C(Cl)C=C1 MC433898 [1,1,0,0,0,0|1,0,0]=3 792 B10R1.176 NCC1=CC(Cl)=C(F)C=C1 MC30276 [1,1,0,0,0,0|1,0,0]=3 793 B10R1.176 NCC1=CC(F)=C(Br)C=C1 MC425051 [1,1,0,0,0,0|1,0,0]=3 794 B10R1.176 NCC1=CC(F)=C(Cl)C=C1 MC33195 [1,1,0,0,0,0|1,0,0]=3 795 B10R1.176 NCC1=CC(F)=C(Cl)N=C1 MC431986 [1,1,0,0,0,0|2,0,0]=4 796 B10R1.176 NCC1=CC(F)=C(F)C=C1 MC33192 [1,1,0,0,0,0|1,0,0]=3 797 B10R1.176 NCC1=CC(O)=C(O)C=C1 MC425646 [1,1,0,0,0,0|0,0,0]=2 798 B10R1.176 NCC1=NC(F)=C(Cl)C=C1 MC431959 [1,1,0,0,0,0|2,0,0]=4 799 B10R1.176 NNC1=CC(Cl)=C(Cl)C=C1 CS19870 [1,1,0,0,0,0|2,0,0]=4 800 B10R1.176 NNC1=CC(Cl)=C(F)C=C1 MC40991 [1,1,0,0,0,0|2,0,0]=4 801 B10R1.176 NNC1=CC(Cl)=C(F)C=C1 MC40992 [1,1,0,0,0,0|2,0,0]=4 802 B10R1.176 NNC1=CC(F)=C(F)C=C1 CS23015 [1,1,0,0,0,0|2,0,0]=4 803 B10R1.176 NNC1=CC(F)=C(F)C=C1 MC20003 [1,1,0,0,0,0|2,0,0]=4 804 B10R1.176 O=C1C=C(CO)OC=C1O CS11536 [1,1,0,0,0,0|2,0,0]=4 805 B10R1.176 O=CC1=CC(Br)=C(O)C=C1 MC20184 [1,1,0,0,0,0|1,0,1]=4 806 B10R1.176 O=CC1=CC(F)=C(O)C=C1 CS10367 [1,1,0,0,0,0|1,0,1]=4 807 B10R1.176 O=CC1=CC(I)=C(O)C=C1 MC429971 [1,1,0,0,0,0|1,0,1]=4 808 B10R1.176 O=CC1=CC(O)=C(O)C=C1 CS18720 [1,1,0,0,0,0|1,0,1]=4 809 B10R1.176 OCC1=CC(Br)=C(Cl)C=C1 MC40686 [1,1,0,0,0,0|2,0,0]=4 810 B10R1.176 OCC1=CC(Br)=C(O)C=C1 CS21356 [1,1,0,0,0,0|1,0,0]=3 811 B10R1.176 OCC1=CC(Cl)=C(Cl)C=C1 CS18809 [1,1,0,0,0,0|2,0,0]=4 812 B10R1.176 OCC1=CC(Cl)=C(F)C=C1 MC30274 [1,1,0,0,0,0|2,0,0]=4 813 B10R1.176 OCC1=CC(F)=C(Br)C=C1 CS20190 [1,1,0,0,0,0|2,0,0]=4 814 B10R1.176 OCC1=CC(F)=C(Cl)C=C1 MC40694 [1,1,0,0,0,0|2,0,0]=4 815 B10R1.176 OCC1=CC(F)=C(F)C=C1 CS19362 [1,1,0,0,0,0|2,0,0]=4 816 B10R1.176 OCC1=CC(O)=C(Br)C=C1 CS16027 [1,1,0,0,0,0|2,0,0]=4 817 B10R1.176 OCC1=CC(O)=C(I)C=C1 MC33283 [1,1,0,0,0,0|2,0,0]=4 818 B10R1.4 Br[Zn]Cc1ccccc1Br MC121351 [1,1,0,0,0,0|2,0,0]=4 819 B10R1.4 CC1=C(CC#N)C=CC=C1 CS11825 [1,1,0,0,0,0|0,0,2]=4 820 B10R1.4 CC1=CC=CN=C1CCN MC33439 [1,1,0,0,0,0|1,0,0]=3 821 B10R1.4 CCOC1=C(Br)C=CC=C1 MC20149 [1,1,0,0,0,0|2,0,0]=4 822 B10R1.4 CCOC1=C(N)C=CC=C1 CS11823 [1,1,0,0,0,0|2,0,0]=4 823 B10R1.4 CCOC1=C(O)C=CC=C1 MC41194 [1,1,0,0,0,0|2,0,0]=4 824 B10R1.4 CNCC1=C(F)C=CC=C1 MC40828 [1,1,0,0,0,0|2,0,0]=4 825 B10R1.4 COCC1=C(Br)C=CC=C1 MC41399 [1,1,0,0,0,0|2,0,0]=4 826 B10R1.4 Fc1ccccc1C[Zn]Cl MC121344 [1,1,0,0,0,0|2,0,0]=4 827 B10R1.4 N#CCC1=C(Br)C=CC=C1 CS10707 [1,1,0,0,0,0|0,0,2]=4 828 B10R1.4 N#CCC1=C(Cl)C=CC=C1 CS21495 [1,1,0,0,0,0|0,0,2]=4 829 B10R1.4 N#CCC1=C(F)C=CC=C1 CS20772 [1,1,0,0,0,0|0,0,2]=4 830 B10R1.4 N#CCC1=C(I)C=CC=C1 MC40781 [1,1,0,0,0,0|0,0,2]=4 831 B10R1.4 N#CCC1=C(N)C=CC=C1 CS20914 [1,1,0,0,0,0|0,0,2]=4 832 B10R1.4 NCCC1=C(Br)C=CC=C1 CS15138 [1,1,0,0,0,0|0,0,0]=2 833 B10R1.4 NCCC1=C(F)C=CC=C1 CS14793 [1,1,0,0,0,0|0,0,0]=2 834 B10R1.4 NCCC1=C(N)C=CC=C1 CS15970 [1,1,0,0,0,0|0,0,0]=2 835 B10R1.4 NCCC1=NC=CC=C1Br MC104547 [1,1,0,0,0,0|1,0,0]=3 836 B10R1.4 NCCN1C=CC=CC1=O MC431465 [1,1,0,0,0,0|1,0,0]=3 837 B10R1.4 NNCC1=C(F)C=CC=C1 CS20134 [1,1,0,0,0,0|1,0,0]=3 838 B10R1.4 NNCc1ccccc1F MC443842 [1,1,0,0,0,0|1,0,0]=3 839 B10R1.4 O=CCC1=C(F)C=CC=C1 MC431003 [1,1,0,0,0,0|1,0,1]=4 840 B10R1.4 OC1=C(CCI)C=CC=C1 MC430321 [1,1,0,0,0,0|1,0,0]=3 841 B10R1.4 OCCC1=C(Br)C=CC=C1 CS21407 [1,1,0,0,0,0|1,0,0]=3 842 B10R1.4 OCCC1=C(Cl)C=CC=C1 MC40737 [1,1,0,0,0,0|1,0,0]=3 843 B10R1.4 OCCC1=C(F)C=CC=C1 MC33149 [1,1,0,0,0,0|1,0,0]=3 844 B10R1.10 Br[Zn]Cc1cccc(Br)c1 MC121352 [1,1,0,0,0,0|2,0,0]=4 845 B10R1.10 C=CCC1=CC=CC(O)=C1 MC425380 [1,1,0,0,0,0|1,0,1]=4 846 B10R1.10 CC1=CC(CC#N)=CC=C1 CS18941 [1,1,0,0,0,0|0,0,2]=4 847 B10R1.10 CC1=CC(CCO)=CC=C1 CS22372 [1,1,0,0,0,0|1,0,0]=3 848 B10R1.10 CCCc1cccc(F)c1 MC440476 [1,1,0,0,0,0|1,0,0]=3 849 B10R1.10 FC1=CC=CC(CCBr)=C1 MC40572 [1,1,0,0,0,0|1,0,0]=3 850 B10R1.10 Fc1cccc(C[Zn]Cl)c1 MC121345 [1,1,0,0,0,0|2,0,0]=4 851 B10R1.10 N#CCC1=CC(Br)=CC=C1 CS18969 [1,1,0,0,0,0|0,0,2]=4 852 B10R1.10 N#CCC1=CC(Cl)=CC=C1 CS13745 [1,1,0,0,0,0|0,0,2]=4 853 B10R1.10 N#CCC1=CC(F)=CC=C1 MC20212 [1,1,0,0,0,0|0,0,2]=4 854 B10R1.10 N#CCC1=CC(N)=CC=C1 MC433930 [1,1,0,0,0,0|0,0,2]=4 855 B10R1.10 NC1=CC=CC(CCO)=C1 CS22105 [1,1,0,0,0,0|1,0,0]=3 856 B10R1.10 NCCC1=CC(Br)=CC=C1 CS15159 [1,1,0,0,0,0|0,0,0]=2 857 B10R1.10 NCCC1=CC(F)=CC=C1 MC40979 [1,1,0,0,0,0|0,0,0]=2 858 B10R1.10 NNCC1=CC(O)=CC=C1 MC10382 [1,1,0,0,0,0|1,0,0]=3 859 B10R1.10 O=CCC1=CC(O)=CC=C1 MC106361 [1,1,0,0,0,0|1,0,1]=4 860 B10R1.10 OCCC1=CC(Br)=CC=C1 CS22186 [1,1,0,0,0,0|1,0,0]=3 861 B10R1.10 OCCC1=CC(Cl)=CC=C1 CS22241 [1,1,0,0,0,0|1,0,0]=3 862 B10R1.10 OCCC1=CC(F)=CC=C1 MC40743 [1,1,0,0,0,0|1,0,0]=3 863 B10R1.15 C=C(CBr)C1=CC=CC=C1 CS20091 [1,1,0,0,0,0|1,0,1]=4 864 B10R1.15 C=CC(N)C1=CC=CC=C1 MC102512 [1,1,0,0,0,0|1,0,1]=4 865 B10R1.15 CC(CN)C1=CC=CC=C1 CS10909 [1,1,0,0,0,0|0,0,0]=2 866 B10R1.15 CC(CN)c1ccccc1 MC110750 [1,1,0,0,0,0|0,0,0]=2 867 B10R1.15 CC(NO)c1ccccc1 MC103844 [1,1,0,0,0,0|2,0,0]=4 868 B10R1.15 CC(NO)c1ccccc1 MC103845 [1,1,0,0,0,0|2,0,0]=4 869 B10R1.15 CCC(C)C1=CC=CC=C1 CS11947 [1,1,0,0,0,0|1,0,0]=3 870 B10R1.15 CCC(C)C1=CC=CC=C1 MC433489 [1,1,0,0,0,0|1,0,0]=3 871 B10R1.15 CCC(N)C1=CC=CC=C1 MC20337 [1,1,0,0,0,0|1,0,0]=3 872 B10R1.15 FC(CBr)C1=CC=CC=C1 MC102769 [1,1,0,0,0,0|1,0,0]=3 873 B10R1.15 N#CC(N)C1=CC=CC=C1 MC31161 [1,1,0,0,0,0|0,0,2]=4 874 B10R1.15 NC(CO)C1=CC=CC=C1 CS10553 [1,1,0,0,0,0|1,0,0]=3 875 B10R1.15 NC(CO)C1=CC=CC=C1 CS10555 [1,1,0,0,0,0|1,0,0]=3 876 B10R1.15 NC(CO)C1=CC=CC=C1 CS15860 [1,1,0,0,0,0|1,0,0]=3 877 B10R1.15 NC(CO)C1=NC=CC=C1 MC111155 [1,1,0,0,0,0|2,0,0]=4 878 B10R1.15 NCC(=O)C1=CC=CC=C1 CS10874 [1,1,0,0,0,0|0,0,1]=3 879 B10R1.15 NCC(=O)C1=NC=CC=C1 MC33498 [1,1,0,0,0,0|1,0,1]=4 880 B10R1.15 NCC(O)C1=CC=CC=C1 CS20485 [1,1,0,0,0,0|0,0,0]=2 881 B10R1.15 NCC(O)C1=CC=CC=C1 MC444625 [1,1,0,0,0,0|0,0,0]=2 882 B10R1.15 NCC(O)C1=CC=CN=C1 MC103058 [1,1,0,0,0,0|1,0,0]=3 883 B10R1.15 NCC(O)C1=NC=CC=C1 MC33503 [1,1,0,0,0,0|1,0,0]=3 884 B10R1.15 NNC(=O)C1=CC=CC=C1 CS10971 [1,1,0,0,0,0|1,0,1]=4 885 B10R1.15 O=C(CBr)C1=CC=CC=C1 CS19274 [1,1,0,0,0,0|1,0,1]=4 886 B10R1.15 O=C(CCl)C1=CC=CC=C1 MC20159 [1,1,0,0,0,0|1,0,1]=4 887 B10R1.15 O=C(CI)C1=CC=CC=C1 MC433244 [1,1,0,0,0,0|1,0,1]=4 888 B10R1.15 OC(CBr)C1=CC=CC=C1 CS18840 [1,1,0,0,0,0|1,0,0]=3 889 B10R1.15 OC(CCl)C1=CC=CN=C1 MC103059 [1,1,0,0,0,0|2,0,0]=4 890 B10R1.15 OCC(F)C1=CC=CC=C1 MC430923 [1,1,0,0,0,0|1,0,0]=3 891 B10R1.17 BrCCOC1=CC=CC=C1 MC20150 [1,1,0,0,0,0|1,0,0]=3 892 B10R1.17 Br[Zn]CCc1ccccc1 MC121341 [1,1,0,0,0,0|1,0,0]=3 893 B10R1.17 CNCCC1=CC=CC=C1 MC446670 [1,1,0,0,0,0|0,0,0]=2 894 B10R1.17 ClCCOC1=CC=CC=C1 MC33174 [1,1,0,0,0,0|1,0,0]=3 895 B10R1.17 ClC\C=C\C1=CC=CC=C1 MC41818 [1,1,0,0,0,0|1,0,1]=4 896 B10R1.17 NCCCC1=CC=NC=C1 MC425564 [1,1,0,0,0,0|1,0,0]=3 897 B10R1.17 NCCNC1=NC=CC=C1 CS11746 [1,1,0,0,0,0|1,0,0]=3 898 B10R1.17 NCCOC1=CC=CC=C1 CS20484 [1,1,0,0,0,0|0,0,0]=2 899 B10R1.17 NCCOC1=CC=CN=C1 CS16368 [1,1,0,0,0,0|1,0,0]=3 900 B10R1.17 NOCCC1=CC=NC=C1 MC427573 [1,1,0,0,0,0|1,0,0]=3 901 B10R1.17 OCCCC1=CC=NC=C1 CS22019 [1,1,0,0,0,0|2,0,0]=4 902 B10R1.17 OCCOC1=CC=CC=C1 MC41398 [1,1,0,0,0,0|1,0,0]=3 903 B10R1.18 CC(Br)CC1=CC=CC=C1 MC41813 [1,1,0,0,0,0|1,0,0]=3 904 B10R1.18 CC(C)NC1=CC=CC=C1 CS11787 [1,1,0,0,0,0|2,0,0]=4 905 B10R1.18 CC(C)OC1=CC=CC=C1 MC41360 [1,1,0,0,0,0|2,0,0]=4 906 B10R1.18 FC(F)OC1=CC=CC=C1 MC41385 [1,1,0,0,0,0|2,0,0]=4 907 B10R1.18 FC(F)SC1=CC=CC=C1 MC428027 [1,1,0,0,0,0|2,0,0]=4 908 B10R1.18 NC(=O)NC1=CC=CC=C1 CS10533 [1,1,0,0,0,0|1,0,1]=4 909 B10R1.18 NC(=O)OC1=CC=CC=C1 MC428148 [1,1,0,0,0,0|1,0,1]=4 910 B10R1.18 O=C([O-])CC1=CC=CC=C1 MC34448 [1,1,0,0,0,0|1,0,1]=4 911 B10R1.130 CN1N=C(O)C=C1CCN MC429100 [0,1,0,0,1,0|2,0,0]=4 912 B12R1.1 COCCOC1=CC=C(N)C=C1 CS13382 [0,2,0,0,0,0|2,0,0]=4 913 B12R1.1 OC1=CC=C(OCCCBr)C=C1 MC103168 [0,2,0,0,0,0|1,0,0]=3 914 B12R1.16 CCOC(=O)C1=CC=C(O)C=C1 CS18640 [0,2,0,0,0,0|1,0,1]=4 915 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 CS11969 [0,2,0,0,0,0|0,0,0]=2 916 B12R1.16 NC(CCO)C1=CC=C(Cl)C=C1 CS14753 [0,2,0,0,0,0|2,0,0]=4 917 B12R1.16 NC(CCO)C1=CC=C(F)C=C1 CS19558 [0,2,0,0,0,0|2,0,0]=4 918 B12R1.16 NC(CCO)C1=CC=C(F)C=C1 MC106616 [0,2,0,0,0,0|2,0,0]=4 919 B12R1.16 O=C(CCCl)C1=CC=C(Br)C=C1 MC41277 [0,2,0,0,0,0|2,0,0]=4 920 B12R1.16 O=C(CCCl)C1=CC=C(Cl)C=C1 MC433259 [0,2,0,0,0,0|2,0,0]=4 921 B12R1.16 O=C(CCCl)C1=CC=C(F)C=C1 CS14887 [0,2,0,0,0,0|2,0,0]=4 922 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 CS14964 [0,2,0,0,0,0|1,0,0]=3 923 B12R1.21 CC(C)CNC1=CC=C(Br)C=C1 MC106746 [0,2,0,0,0,0|2,0,0]=4 924 B12R1.21 NC(=[NH2+])SCC1=CC=C(F)C=C1 MC112601 [0,2,0,0,0,0|1,0,1]=4 925 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 CS21832 [0,2,0,0,0,0|2,0,0]=4 926 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 CS21674 [0,2,0,0,0,0|2,0,0]=4 927 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 CS19854 [0,2,0,0,0,0|2,0,0]=4 928 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 CS21107 [0,2,0,0,0,0|1,0,0]=3 929 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 CS21113 [0,2,0,0,0,0|1,0,1]=4 930 B12R1.49 NC(CO)CC1=CC=C(I)C=C1 MC115448 [0,2,0,0,0,0|1,0,0]=3 931 B12R1.49 NC(CO)Cc1ccc(O)cc1 MC439069 [0,2,0,0,0,0|0,0,0]=2 932 B12R1.69 BrCCOC1=C(Br)C=C(Br)C=C1 MC425135 [0,2,0,0,0,0|2,0,0]=4 933 B12R1.69 CCCCC1=C(O)C=C(O)C=C1 MC443141 [0,2,0,0,0,0|1,0,0]=3 934 B12R1.69 NC1=CC(N)=C(OCCO)C=C1 CS17227 [0,2,0,0,0,0|2,0,0]=4 935 B12R1.71 C#CC1=CC=C(CCCC)C=C1 CS11680 [0,2,0,0,0,0|2,0,0]=4 936 B12R1.71 CCC#CC1=CC=C(OC)C=C1 MC103263 [0,2,0,0,0,0|1,0,1]=4 937 B12R1.71 N#CC1=CC=C(CCCO)C=C1 CS14888 [0,2,0,0,0,0|2,0,0]=4 938 B12R1.71 O=CC1=CC=C(OCCCl)C=C1 MC41102 [0,2,0,0,0,0|1,0,1]=4 939 B12R1.385 CC1=C(O)C=C(NCCO)C=C1 CS21891 [0,2,0,0,0,0|2,0,0]=4 940 B12R1.385 CCCCC1=CC=C(N)C(N)=C1 MC445204 [0,2,0,0,0,0|2,0,0]=4 941 B12R1.4 COC1=CC=C(CC(=O)O)C=C1 CS13446 [0,2,0,0,0,0|1,0,1]=4 942 B12R1.4 COC1=CC=C(CC(C)=O)C=C1 CS11110 [0,2,0,0,0,0|1,0,1]=4 943 B12R1.4 OCC1=CC=C(OC(F)F)C=C1 MC40703 [0,2,0,0,0,0|2,0,0]=4 944 B12R1.19 O=C(O)CC1=CC(Br)=C(O)C=C1 MC40146 [0,2,0,0,0,0|1,0,1]=4 945 B12R1.19 O=C(O)CC1=CC(F)=C(O)C=C1 MC40167 [0,2,0,0,0,0|1,0,1]=4 946 B12R1.19 O=C(O)CC1=CC(O)=C(O)C=C1 CS20953 [0,2,0,0,0,0|1,0,1]=4 947 B12R1.20 NC(C(=O)O)C1=CC=C(O)C=C1 CS21023 [0,2,0,0,0,0|1,0,1]=4 948 B12R1.106 CC(C)(N)CC1=CC=C(F)C=C1 MC40988 [0,2,0,0,0,0|1,0,0]=3 949 B12R1.106 CC(C)(O)CC1=CC=C(Cl)C=C1 MC33349 [0,2,0,0,0,0|2,0,0]=4 950 B12R1.106 OC1=CC=C(OC(F)(F)F)C=C1 CS16066 [0,2,0,0,0,0|2,0,0]=4 951 B12R1.5 COC1=CC=C(C(=O)CCl)C=C1 MC41239 [0,2,0,0,0,0|1,0,1]=4 952 B12R1.5 COC1=CC=C(C(=O)CN)C=C1 CS21179 [0,2,0,0,0,0|0,0,1]=3 953 B12R1.5 COC1=CC=C(C(O)CN)C=C1 MC431260 [0,2,0,0,0,0|0,0,0]=2 954 B12R1.9 CC(C)(CN)C1=CC=C(Br)C=C1 MC427286 [0,2,0,0,0,0|1,0,0]=3 955 B12R1.9 CC(C)(CN)C1=CC=C(I)C=C1 MC106337 [0,2,0,0,0,0|1,0,0]=3 956 B12R1.9 CCC(C)(C)C1=CC=C(O)C=C1 CS15993 [0,2,0,0,0,0|1,0,0]=3 957 B12R1.12 CC1=CC=C(C(CN)CO)C=C1 MC105877 [0,2,0,0,0,0|1,0,0]=3 958 B12R1.12 CC1=CC=C(C(CN)CO)C=C1 MC105878 [0,2,0,0,0,0|1,0,0]=3 959 B12R1.12 NCC(CO)C1=CC=C(Br)C=C1 MC105893 [0,2,0,0,0,0|1,0,0]=3 960 B12R1.12 NCC(CO)C1=CC=C(Br)C=C1 MC105894 [0,2,0,0,0,0|1,0,0]=3 961 B12R1.12 NCC(CO)C1=CC=C(Cl)C=C1 MC105869 [0,2,0,0,0,0|1,0,0]=3 962 B12R1.12 NCC(CO)C1=CC=C(Cl)C=C1 MC105870 [0,2,0,0,0,0|1,0,0]=3 963 B12R1.12 NCC(CO)C1=CC=C(F)C=C1 MC105861 [0,2,0,0,0,0|1,0,0]=3 964 B12R1.12 NCC(CO)C1=CC=C(F)C=C1 MC105862 [0,2,0,0,0,0|1,0,0]=3 965 B12R1.367 NCC(=O)C1=CC(F)=C(Br)C=C1 MC114806 [0,2,0,0,0,0|1,0,1]=4 966 B12R1.114 COC1=CC(Cl)=C(CC#N)C=C1 MC20596 [0,2,0,0,0,0|0,0,2]=4 967 B12R1.544 CCOC1=C(F)C(F)=C(O)C=C1 MC440469 [0,2,0,0,0,0|2,0,0]=4 968 B12R1.1095 CC1=CC(C)=C(CCO)C(C)=C1 CS21631 [0,2,0,0,0,0|2,0,0]=4 969 B12R1.1123 OCCC1=C(F)C=C(F)C(F)=C1 MC433889 [0,2,0,0,0,0|2,0,0]=4 970 B12R1.113 CC(=O)C1=CC=C(CCBr)C=C1 CS10009 [0,2,0,0,0,0|1,0,1]=4 971 B12R1.113 CCCC1=CC=C(B(O)O)C=C1 CS10907 [0,2,0,0,0,0|1,0,0]=3 972 B12R1.113 CCOC1=CC=C(B(O)O)C=C1 CS20470 [0,2,0,0,0,0|2,0,0]=4 973 B12R1.113 CCOC1=CC=C(C(=O)O)C=C1 MC433673 [0,2,0,0,0,0|2,0,0]=4 974 B12R1.113 CN(C)C1=CC=C(CCO)C=C1 CS22462 [0,2,0,0,0,0|2,0,0]=4 975 B12R1.113 CNCC1=CC=C(B(O)O)C=C1 MC443181 [0,2,0,0,0,0|2,0,0]=4 976 B12R1.113 COCC1=CC=C(B(O)O)C=C1 MC431182 [0,2,0,0,0,0|2,0,0]=4 977 B12R1.113 COCC1=CC=C(C(=O)O)C=C1 MC40299 [0,2,0,0,0,0|2,0,0]=4 978 B12R1.113 NCCC1=CC=C([N+](=O)[O-])C=C1 CS10544 [0,2,0,0,0,0|0,0,1]=3 979 B12R1.113 O=C(O)C1=CC=C(CCBr)C=C1 MC40240 [0,2,0,0,0,0|1,0,0]=3 980 B12R1.113 O=[N+]([O-])C1=CC=C(CCBr)C=C1 CS10840 [0,2,0,0,0,0|1,0,1]=4 981 B12R1.113 O=[N+]([O-])C1=CC=C(CCO)C=C1 CS10877 [0,2,0,0,0,0|1,0,1]=4 982 B12R1.116 CCOC1=CC=C(CC#N)C=C1 MC433951 [0,2,0,0,0,0|0,0,2]=4 983 B12R1.116 COCC1=CC=C(COC)C=C1 MC444622 [0,2,0,0,0,0|2,0,0]=4 984 B12R1.288 COC1=C(C)C=C(CCN)C=N1 MC111257 [0,2,0,0,0,0|1,0,0]=3 985 B12R1.288 COC1=C(F)C=C(CC#N)C=C1 CS14302 [0,2,0,0,0,0|0,0,2]=4 986 B12R1.288 COC1=C(O)C=C(CCN)C=C1 MC20884 [0,2,0,0,0,0|0,0,0]=2 987 B12R1.286 COC1=C(O)C=CC(CCN)=C1 MC437967 [0,2,0,0,0,0|0,0,0]=2 988 B12R1.286 COC1=C(O)C=CC(CCN)=C1 MC443853 [0,2,0,0,0,0|0,0,0]=2 989 B10R2.6 C1=CC=C(C2CO2)C=C1 MC20326 [1,0,0,1,0,0|1,0,0]=3 990 B10R2.6 C1=CC=C(C2CO2)C=C1 MC445226 [1,0,0,1,0,0|1,0,0]=3 991 B10R2.7 C1=CC2=C(C=C1)CSC2 MC114506 [1,0,0,1,0,0|2,0,0]=4 992 B10R2.7 C1=CC2=C(C=C1)NC=N2 MC41756 [1,0,0,1,0,0|1,0,1]=4 993 B10R2.7 C1=CC2=C(C=C1)OCC2 CS20929 [1,0,0,1,0,0|1,0,0]=3 994 B10R2.7 C1=CC2=C(C=C1)OCO2 CS20505 [1,0,0,1,0,0|2,0,0]=4 995 B10R2.7 C1=CC=C2CC=CC2=C1 MC20914 [1,0,0,1,0,0|1,0,1]=4 996 B10R2.7 C1=CC=C2CNCC2=C1 CS11516 [1,0,0,1,0,0|2,0,0]=4 997 B10R2.7 C1=CC=C2CNCC2=C1 MC442466 [1,0,0,1,0,0|2,0,0]=4 998 B10R2.7 C1=CC=C2NC=CC2=C1 CS11496 [1,0,0,1,0,0|0,0,2]=4 999 B10R2.7 C1=CC=C2NCCC2=C1 CS19084 [1,0,0,1,0,0|0,0,0]=2 1000 B10R2.7 C1=CC=C2NN=CC2=C1 CS11488 [1,0,0,1,0,0|1,0,1]=4 1001 B10R2.7 C1=CN=C2CCCC2=C1 CS14838 [1,0,0,1,0,0|2,0,0]=4 1002 B10R2.7 C1=CN=C2CCNC2=C1 MC107728 [1,0,0,1,0,0|1,0,0]=3 1003 B10R2.7 C1=CN=C2NCCC2=C1 CS21039 [1,0,0,1,0,0|1,0,0]=3 1004 B12R2.24 BrC1=CC2=C(C=C1)NCCO2 CS10787 [0,1,0,1,0,0|2,0,0]=4 1005 B12R2.24 BrC1=CC2=C(C=C1)NCCO2 CS15185 [0,1,0,1,0,0|2,0,0]=4 1006 B12R2.24 BrC1=CC2=C(C=C1)OCCN2 CS15468 [0,1,0,1,0,0|1,0,0]=3 1007 B12R2.24 BrC1=CC2=C(C=C1)OCCO2 CS10776 [0,1,0,1,0,0|2,0,0]=4 1008 B12R2.24 BrC1=CC=C2CCCCC2=C1 CS16753 [0,1,0,1,0,0|2,0,0]=4 1009 B12R2.24 BrC1=CC=C2CCCNC2=C1 CS18621 [0,1,0,1,0,0|1,0,0]=3 1010 B12R2.24 BrC1=CC=C2CCCOC2=C1 MC443258 [0,1,0,1,0,0|2,0,0]=4 1011 B12R2.24 BrC1=CC=C2CCNCC2=C1 CS19606 [0,1,0,1,0,0|1,0,0]=3 1012 B12R2.24 BrC1=CC=C2CCOCC2=C1 CS16547 [0,1,0,1,0,0|2,0,0]=4 1013 B12R2.24 BrC1=CC=C2CNCCC2=C1 CS10618 [0,1,0,1,0,0|2,0,0]=4 1014 B12R2.24 BrC1=CC=C2CNCCC2=C1 CS17620 [0,1,0,1,0,0|2,0,0]=4 1015 B12R2.24 BrC1=CC=C2COCCC2=C1 MC441107 [0,1,0,1,0,0|2,0,0]=4 1016 B12R2.24 BrC1=CC=C2NCCCC2=C1 CS19737 [0,1,0,1,0,0|2,0,0]=4 1017 B12R2.24 BrC1=CC=C2OCCCC2=C1 CS19916 [0,1,0,1,0,0|2,0,0]=4 1018 B12R2.24 BrC1=NC2=C(C=C1)OCCN2 MC115915 [0,1,0,1,0,0|2,0,0]=4 1019 B12R2.24 CC1=CC=C2CCCCC2=C1 CS10746 [0,1,0,1,0,0|2,0,0]=4 1020 B12R2.24 CC1=CC=C2CCNCC2=C1 CS18155 [0,1,0,1,0,0|1,0,0]=3 1021 B12R2.24 CC1=CC=C2CNCCC2=C1 MC431469 [0,1,0,1,0,0|2,0,0]=4 1022 B12R2.24 ClC1=CC2=C(C=C1)NCCO2 MC443200 [0,1,0,1,0,0|2,0,0]=4 1023 B12R2.24 ClC1=CC2=C(C=C1)OCCN2 MC441073 [0,1,0,1,0,0|1,0,0]=3 1024 B12R2.24 ClC1=CC=C2CCCNC2=C1 MC443569 [0,1,0,1,0,0|1,0,0]=3 1025 B12R2.24 ClC1=CC=C2CCCNC2=N1 MC443151 [0,1,0,1,0,0|2,0,0]=4 1026 B12R2.24 ClC1=CC=C2NCCCC2=C1 CS14585 [0,1,0,1,0,0|2,0,0]=4 1027 B12R2.24 ClC1=NC2=C(C=C1)NCCN2 CS12186 [0,1,0,1,0,0|2,0,0]=4 1028 B12R2.24 FC1=CC=C2CNCCC2=C1 MC106618 [0,1,0,1,0,0|2,0,0]=4 1029 B12R2.24 FC1=CC=C2NCCCC2=C1 MC441111 [0,1,0,1,0,0|2,0,0]=4 1030 B12R2.24 IC1=CC=C2OCCCC2=C1 MC425133 [0,1,0,1,0,0|2,0,0]=4 1031 B12R2.24 NC1=CC2=C(C=C1)NCCO2 MC442710 [0,1,0,1,0,0|2,0,0]=4 1032 B12R2.24 NC1=CC=C2CCNCC2=C1 MC443158 [0,1,0,1,0,0|1,0,0]=3 1033 B12R2.24 OC1=CC2=C(C=C1)CCCC2 CS13514 [0,1,0,1,0,0|1,0,0]=3 1034 B12R2.24 OC1=CC2=C(C=C1)NCCO2 MC442455 [0,1,0,1,0,0|1,0,0]=3 1035 B12R2.24 OC1=CC2=C(C=C1)OCCO2 MC429083 [0,1,0,1,0,0|1,0,0]=3 1036 B12R2.24 OC1=CC2=C(CCNC2)N=C1 MC100128 [0,1,0,1,0,0|1,0,0]=3 1037 B12R2.24 OC1=CC=C2CCCNC2=C1 CS10898 [0,1,0,1,0,0|0,0,0]=2 1038 B12R2.24 OC1=CC=C2CCNCC2=C1 CS17696 [0,1,0,1,0,0|0,0,0]=2 1039 B12R2.24 OC1=CC=C2CNCCC2=C1 CS18391 [0,1,0,1,0,0|1,0,0]=3 1040 B12R2.24 OC1=CC=C2NCCCC2=C1 CS18990 [0,1,0,1,0,0|1,0,0]=3 1041 B12R2.24 OC1=CN=C2OCCCC2=C1 MC116110 [0,1,0,1,0,0|2,0,0]=4 1042 B12R2.79 NC1CC1C2=CC=C(Br)C=C2 MC111254 [0,1,0,1,0,0|1,0,0]=3 1043 B12R2.132 CC1=CC=C2CCC(=O)C2=C1 MC446759 [0,1,0,1,0,0|2,0,0]=4 1044 B12R2.132 NC1=CC=C2CCC(=O)C2=C1 MC446750 [0,1,0,1,0,0|2,0,0]=4 1045 B12R2.132 NC1CCC2=CC=C(Br)C=C21 MC104166 [0,1,0,1,0,0|1,0,0]=3 1046 B12R2.132 NC1CCC2=CC=C(Br)C=C21 MC105332 [0,1,0,1,0,0|1,0,0]=3 1047 B12R2.132 NC1CCC2=CC=C(F)C=C21 MC431345 [0,1,0,1,0,0|1,0,0]=3 1048 B12R2.132 NC1CCC2=CC=C(O)C=C21 MC104168 [0,1,0,1,0,0|0,0,0]=2 1049 B12R2.132 NC1CCC2=CC=C(O)C=C21 MC105334 [0,1,0,1,0,0|0,0,0]=2 1050 B12R2.132 NC1COC2=C1C=C(F)C=C2 MC431482 [0,1,0,1,0,0|1,0,0]=3 1051 B12R2.132 O=C1CCC2=CC=C(Br)C=C12 CS18733 [0,1,0,1,0,0|2,0,0]=4 1052 B12R2.132 O=C1CCC2=CC=C(Cl)C=C12 CS13722 [0,1,0,1,0,0|2,0,0]=4 1053 B12R2.132 O=C1CCC2=CC=C(F)C=C12 MC429567 [0,1,0,1,0,0|2,0,0]=4 1054 B12R2.132 O=C1CCC2=CC=C(I)C=C12 CS19840 [0,1,0,1,0,0|2,0,0]=4 1055 B12R2.132 O=C1CCC2=CC=C(O)C=C12 CS15371 [0,1,0,1,0,0|1,0,0]=3 1056 B12R2.294 BrC1=CC=C(OC2CC2)C=C1 MC430493 [0,1,0,1,0,0|2,0,0]=4 1057 B12R2.2302 BrC1=CC=C(C2COC2)C=C1 MC102461 [0,1,0,1,0,0|2,0,0]=4 1058 B12R2.606 CC1=CC=C2CC(=O)NC2=C1 CS10744 [0,1,0,1,0,0|1,0,1]=4 1059 B12R2.606 CC1=NC2=C(C=C(O)C=C2)N1 MC425565 [0,1,0,1,0,0|1,0,1]=4 1060 B12R2.606 NC1=CC=C2CC(=O)NC2=C1 CS21571 [0,1,0,1,0,0|1,0,1]=4 1061 B12R2.606 NC1=NC2=C(C=CC(O)=C2)N1 MC443404 [0,1,0,1,0,0|1,0,1]=4 1062 B12R2.606 NC1CC2=CC=C(Br)C=C2C1 CS18236 [0,1,0,1,0,0|1,0,0]=3 1063 B12R2.606 NC1CC2=CC=C(Br)C=C2C1 MC102510 [0,1,0,1,0,0|1,0,0]=3 1064 B12R2.606 NC1CC2=CC=C(Br)C=C2C1 MC102511 [0,1,0,1,0,0|1,0,0]=3 1065 B12R2.606 NC1CC2=CC=C(I)C=C2C1 CS17420 [0,1,0,1,0,0|1,0,0]=3 1066 B12R2.606 NC1CC2=CC=C(I)C=C2C1 MC21023 [0,1,0,1,0,0|1,0,0]=3 1067 B12R2.606 O=C1CC2=CC=C(Br)C=C2N1 CS20688 [0,1,0,1,0,0|1,0,1]=4 1068 B12R2.606 O=C1CC2=CC=C(Cl)C=C2N1 CS22102 [0,1,0,1,0,0|1,0,1]=4 1069 B12R2.606 O=C1CC2=CC=C(F)C=C2N1 CS22112 [0,1,0,1,0,0|1,0,1]=4 1070 B12R2.606 OC1CC2=CC=C(Br)C=C2C1 CS12609 [0,1,0,1,0,0|2,0,0]=4 1071 B12R2.612 CC1=NNC2=CC(O)=CC=C21 MC441350 [0,1,0,1,0,0|1,0,1]=4 1072 B12R2.612 ClC1CCC2=CC(Br)=CC=C21 CS16081 [0,1,0,1,0,0|2,0,0]=4 1073 B12R2.612 NC1CCC2=CC(F)=CC=C21 MC431475 [0,1,0,1,0,0|2,0,0]=4 1074 B12R2.612 O=C1CCC2=CC(O)=CC=C12 CS11017 [0,1,0,1,0,0|1,0,1]=4 1075 B12R2.612 O=C1COC2=C1C=CC(O)=C2 CS20793 [0,1,0,1,0,0|1,0,1]=4 1076 B12R2.246 OC1=CC(Br)=C2C=NNC2=C1 MC105024 [0,1,0,1,0,0|1,0,1]=4 1077 B12R2.1317 OC1=CC(Cl)=C(C2CC2)N=C1 MC111389 [0,1,0,1,0,0|2,0,0]=4 1078 B12R2.9 N#CC1=CC=C(C2CC2)C=C1 MC106587 [0,1,0,1,0,0|2,0,0]=4 1079 B12R2.44 COC1=CC2=C(C=C1)N=CN2 MC425785 [0,1,0,1,0,0|1,0,1]=4 1080 B12R2.44 COC1=CC=C2C=CNC2=C1 MC20057 [0,1,0,1,0,0|0,0,2]=4 1081 B12R2.44 COC1=CC=C2C=NNC2=C1 MC425259 [0,1,0,1,0,0|1,0,1]=4 1082 B12R2.44 COC1=CC=C2CCNC2=C1 MC20447 [0,1,0,1,0,0|0,0,0]=2 1083 B12R2.44 COC1=CC=C2CNCC2=C1 CS12707 [0,1,0,1,0,0|2,0,0]=4 1084 B12R2.44 COC1=CC=C2CNCC2=C1 MC100224 [0,1,0,1,0,0|2,0,0]=4 1085 B12R2.44 COC1=CC=C2NCCC2=C1 CS17324 [0,1,0,1,0,0|2,0,0]=4 1086 B12R2.44 OCC1=CC2=C(C=C1)CCO2 MC442824 [0,1,0,1,0,0|1,0,0]=3 1087 B12R2.44 OCC1=CC2=C(C=C1)OCO2 MC40722 [0,1,0,1,0,0|2,0,0]=4 1088 B12R2.100 FC1=C(F)C=C2NCCC2=C1 CS12554 [0,1,0,1,0,0|1,0,0]=3 1089 B12R2.100 OC1=C(F)C=C2C=NNC2=C1 MC432082 [0,1,0,1,0,0|1,0,1]=4 1090 B8R1.1 CC1=COC(CN)=C1 MC105034 [1,0,0,0,1,0|2,0,0]=4 1091 B8R1.1 NCC1=CC=C(Br)O1 MC432586 [1,0,0,0,1,0|2,0,0]=4 1092 B8R1.1 NCc1ccc(F)s1 MC102141 [1,0,0,0,1,0|2,0,0]=4 1093 B8R1.8 NCCC1=CNC=N1 CS18264 [1,0,0,0,1,0|2,0,0]=4 1094 B8R1.8 NCCC1=CSC=C1 CS22098 [1,0,0,0,1,0|1,0,0]=3 1095 B8R1.8 NNCC1=CC=CS1 MC104512 [1,0,0,0,1,0|2,0,0]=4 1096 B8R1.8 NNCC1=CSC=C1 MC104511 [1,0,0,0,1,0|2,0,0]=4 1097 B8R1.8 OCCC1=CC=CS1 CS14939 [1,0,0,0,1,0|2,0,0]=4 1098 B8R1.8 OCCC1=CSC=C1 CS20858 [1,0,0,0,1,0|2,0,0]=4