0 B11R1.166 CC(=O)C1=C(Cl)C=C(Cl)C=C1 SY003527 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.166 CC(=O)C1=C(F)C=C(Cl)C=C1 SY011386 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.166 CC(=O)C1=C(F)C=C(F)C=C1 SY008954 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.166 CC(=O)C1=C(O)C=C(O)C=C1 SY004020 [0,0,0,0,0,0|2,0,1]=3 4 B11R1.166 CC(=O)C1=CC=C(Br)C=C1Br SY034398 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.166 CC(=O)C1=CC=C(Br)C=C1C SY198423 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.166 CC(=O)C1=CC=C(Br)C=C1Cl SY046544 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.166 CC(=O)C1=CC=C(Br)C=C1F SY024301 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.166 CC(=O)C1=CC=C(Br)C=C1N SY102002 [0,0,0,0,0,0|3,0,1]=4 9 B11R1.166 CC(=O)C1=CC=C(Br)C=C1O SY026364 [0,0,0,0,0,0|2,0,1]=3 10 B11R1.166 CC(=O)C1=CC=C(C)C=C1O SY037234 [0,0,0,0,0,0|1,0,1]=2 11 B11R1.166 CC(=O)C1=CC=C(Cl)C=C1Br SY057517 [0,0,0,0,0,0|3,0,1]=4 12 B11R1.166 CC(=O)C1=CC=C(Cl)C=C1O SY018382 [0,0,0,0,0,0|2,0,1]=3 13 B11R1.166 CC(=O)C1=CC=C(F)C=C1Cl SY047832 [0,0,0,0,0,0|3,0,1]=4 14 B11R1.166 CC(=O)C1=CC=C(F)C=C1N SY291138 [0,0,0,0,0,0|3,0,1]=4 15 B11R1.166 CC(=O)C1=CC=C(F)C=C1O SY048694 [0,0,0,0,0,0|2,0,1]=3 16 B11R1.166 CC(=O)C1=CC=C(N)C=C1Cl SY038064 [0,0,0,0,0,0|3,0,1]=4 17 B11R1.166 CC(=O)C1=CC=C(N)C=C1O SY009074 [0,0,0,0,0,0|2,0,1]=3 18 B11R1.166 CC(=O)C1=CC=C(O)C=C1Cl SY110010 [0,0,0,0,0,0|3,0,1]=4 19 B11R1.166 CC(=O)C1=CC=C(O)C=C1F SY048930 [0,0,0,0,0,0|3,0,1]=4 20 B11R1.166 CC(=O)C1=CC=C(O)C=C1I SY265601 [0,0,0,0,0,0|3,0,1]=4 21 B11R1.166 CC(C)C1=C(Br)C=C(N)C=N1 SY289046 [0,0,0,0,0,0|3,0,0]=3 22 B11R1.166 CC(C)C1=CC=C(N)C=C1O SY260312 [0,0,0,0,0,0|1,0,0]=1 23 B11R1.166 CC(C)C1=CC=C(O)C=C1O SY059257 [0,0,0,0,0,0|1,0,0]=1 24 B11R1.166 CC(C)N1C=CC(Br)=CC1=O SY116068 [0,0,0,0,0,0|2,0,1]=3 25 B11R1.166 CC(O)C1=C(Cl)C=C(Cl)C=C1 SY005062 [0,0,0,0,0,0|3,0,0]=3 26 B11R1.166 CC(O)C1=NC=C(Cl)C=C1F SY072446 [0,0,0,0,0,0|4,0,0]=4 27 B11R1.166 CC1=CC(Br)=CC=C1C(F)F SY265880 [0,0,0,0,0,0|4,0,0]=4 28 B11R1.166 CC1=CC(C)=C(B(O)O)C=C1 SY014633 [0,0,0,0,0,0|4,0,0]=4 29 B11R1.166 CC1=CC(Cl)=C([N+](=O)[O-])C=C1 SY017734 [0,0,0,0,0,0|4,0,0]=4 30 B11R1.166 CC1=CC(Cl)=CC=C1C(F)F SY265878 [0,0,0,0,0,0|4,0,0]=4 31 B11R1.166 CC1=CC(F)=C(B(O)O)C=C1 SY018047 [0,0,0,0,0,0|4,0,0]=4 32 B11R1.166 CC1=CC(F)=CC=C1C(F)F SY265664 [0,0,0,0,0,0|4,0,0]=4 33 B11R1.166 CC1=CC(O)=C(C(=O)O)C=N1 SY020527 [0,0,0,0,0,0|3,0,1]=4 34 B11R1.166 CC1=CC(O)=CC=C1C(C)C SY051849 [0,0,0,0,0,0|2,0,0]=2 35 B11R1.166 CC1=CC=C(B(O)O)C(Cl)=C1 SY014700 [0,0,0,0,0,0|4,0,0]=4 36 B11R1.166 CC1=CC=C(B(O)O)C(O)=N1 SY029537 [0,0,0,0,0,0|4,0,0]=4 37 B11R1.166 CC1=CC=C(C(=O)O)C(Br)=C1 SY016461 [0,0,0,0,0,0|3,0,1]=4 38 B11R1.166 CC1=CC=C(C(=O)O)C(C)=C1 SY002565 [0,0,0,0,0,0|3,0,1]=4 39 B11R1.166 CC1=CC=C(C(=O)O)C(Cl)=C1 SY026013 [0,0,0,0,0,0|3,0,1]=4 40 B11R1.166 CC1=CC=C(C(=O)O)C(F)=C1 SY004352 [0,0,0,0,0,0|3,0,1]=4 41 B11R1.166 CC1=CC=C(C(=O)O)C(I)=C1 SY245079 [0,0,0,0,0,0|3,0,1]=4 42 B11R1.166 CC1=CC=C(C(=O)O)C(N)=C1 SY030949 [0,0,0,0,0,0|3,0,1]=4 43 B11R1.166 CC1=CC=C(C(=O)O)C(O)=C1 SY001921 [0,0,0,0,0,0|2,0,1]=3 44 B11R1.166 CC1=CC=C(C(F)F)C(C)=C1 SY265738 [0,0,0,0,0,0|3,0,0]=3 45 B11R1.166 CC1=CC=C(C(F)F)C(Cl)=C1 SY265879 [0,0,0,0,0,0|3,0,0]=3 46 B11R1.166 CC1=CC=C([N+](=O)[O-])C(F)=C1 SY004690 [0,0,0,0,0,0|4,0,0]=4 47 B11R1.166 CC1=NC(O)=C(C(=O)O)C=C1 SY016745 [0,0,0,0,0,0|3,0,1]=4 48 B11R1.166 CN(C)C1=CN=C(O)N=C1O SY284567 [0,0,0,0,0,0|4,0,0]=4 49 B11R1.166 C[C@@H](N)C1=CC=C(F)C=C1F SY008887 [0,0,0,0,0,0|3,0,0]=3 50 B11R1.166 ClC1=CC=C(C(Cl)Cl)C(Cl)=C1 SY240084 [0,0,0,0,0,0|4,0,0]=4 51 B11R1.166 FC(F)C1=CC=C(Br)C=C1Br SY266005 [0,0,0,0,0,0|4,0,0]=4 52 B11R1.166 FC(F)C1=CC=C(Br)C=C1Cl SY265852 [0,0,0,0,0,0|4,0,0]=4 53 B11R1.166 FC(F)C1=CC=C(Cl)C=C1Br SY242393 [0,0,0,0,0,0|4,0,0]=4 54 B11R1.166 FC(F)C1=CC=C(Cl)C=C1Cl SY265677 [0,0,0,0,0,0|4,0,0]=4 55 B11R1.166 FC(F)C1=CC=C(I)C=C1Br SY265927 [0,0,0,0,0,0|4,0,0]=4 56 B11R1.166 FC1=CC(Cl)=CC=C1C(F)F SY265804 [0,0,0,0,0,0|4,0,0]=4 57 B11R1.166 NC1=CC=C(C(=O)O)C(O)=C1 SY001079 [0,0,0,0,0,0|3,0,1]=4 58 B11R1.166 O=C(O)C1=C(O)C=C(Br)C=C1 SY004396 [0,0,0,0,0,0|3,0,1]=4 59 B11R1.166 O=C(O)C1=C(O)C=C(Cl)C=C1 SY013510 [0,0,0,0,0,0|3,0,1]=4 60 B11R1.166 O=C(O)C1=C(O)C=C(F)C=C1 SY012802 [0,0,0,0,0,0|3,0,1]=4 61 B11R1.166 O=C(O)C1=C(O)C=C(O)C=C1 SY014322 [0,0,0,0,0,0|3,0,1]=4 62 B11R1.166 O=[N+]([O-])C1=CC=C(Br)C=C1O SY015376 [0,0,0,0,0,0|4,0,0]=4 63 B11R1.166 O=[N+]([O-])C1=CC=C(Cl)C=C1O SY031512 [0,0,0,0,0,0|4,0,0]=4 64 B11R1.166 O=[N+]([O-])C1=CC=C(O)C=C1O SY109272 [0,0,0,0,0,0|4,0,0]=4 65 B11R1.166 OB(O)C1=CC=C(Cl)C=C1O SY226886 [0,0,0,0,0,0|4,0,0]=4 66 B11R1.166 OB(O)C1=CC=C(F)C=C1O SY058760 [0,0,0,0,0,0|4,0,0]=4 67 B10R1.13 C1=CC(Cl)=CC=C1N(C)C SY246299 [1,0,0,0,0,0|2,0,0]=3 68 B10R1.13 C1=CC(F)=CC=C1N(C)C SY246298 [1,0,0,0,0,0|2,0,0]=3 69 B10R1.13 C=C(C)C1=CC=C(Br)C=C1 SY225322 [1,0,0,0,0,0|1,0,2]=4 70 B10R1.13 C=C(C)C1=CC=C(Cl)C=C1 SY048599 [1,0,0,0,0,0|1,0,2]=4 71 B10R1.13 C=C(C)C1=CC=C(F)C=C1 SY048549 [1,0,0,0,0,0|1,0,2]=4 72 B10R1.13 C=C(C)C1=CC=C(I)C=C1 SY225345 [1,0,0,0,0,0|1,0,2]=4 73 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 SY001458 [1,0,0,0,0,0|2,0,1]=4 74 B10R1.13 CC(=O)C1=CC=C(C)C=N1 SY005233 [1,0,0,0,0,0|2,0,1]=4 75 B10R1.13 CC(=O)C1=CC=C(C)N=C1 SY063969 [1,0,0,0,0,0|2,0,1]=4 76 B10R1.13 CC(=O)C1=CC=C(I)C=C1 SY011859 [1,0,0,0,0,0|2,0,1]=4 77 B10R1.13 CC(=O)C1=CC=C(N)C=C1 SY011145 [1,0,0,0,0,0|2,0,1]=4 78 B10R1.13 CC(=O)C1=CC=C(O)C=C1 SY009665 [1,0,0,0,0,0|2,0,1]=4 79 B10R1.13 CC(C)C1=CC=C(Br)C=C1 SY002711 [1,0,0,0,0,0|1,0,0]=2 80 B10R1.13 CC(Cl)C1=CC=C(F)C=C1 SY029740 [1,0,0,0,0,0|2,0,0]=3 81 B10R1.13 CC(N)C1=CC=C(Br)C=C1 SY020147 [1,0,0,0,0,0|2,0,0]=3 82 B10R1.13 CC(N)C1=CC=C(F)C=C1 SY002633 [1,0,0,0,0,0|2,0,0]=3 83 B10R1.13 CC(N)C1=CC=C(F)N=C1 SY249602 [1,0,0,0,0,0|3,0,0]=4 84 B10R1.13 CC(N)C1=NC=C(Br)C=C1 SY046404 [1,0,0,0,0,0|3,0,0]=4 85 B10R1.13 CC(O)C1=CC=C(Br)C=C1 SY005047 [1,0,0,0,0,0|2,0,0]=3 86 B10R1.13 CC(O)C1=CC=C(Cl)C=C1 SY005059 [1,0,0,0,0,0|2,0,0]=3 87 B10R1.13 CC(O)C1=CC=C(F)C=C1 SY005049 [1,0,0,0,0,0|2,0,0]=3 88 B10R1.13 CC1=CC=C(B(O)O)C=C1 SY002147 [1,0,0,0,0,0|3,0,0]=4 89 B10R1.13 CC1=CC=C(C(=O)O)C=C1 SY003713 [1,0,0,0,0,0|2,0,1]=4 90 B10R1.13 CC1=CC=C(C(C)N)C=C1 SY002631 [1,0,0,0,0,0|1,0,0]=2 91 B10R1.13 CC1=CC=C(C(C)O)C=C1 SY005050 [1,0,0,0,0,0|1,0,0]=2 92 B10R1.13 CC1=CC=C(C(F)F)C=C1 SY265627 [1,0,0,0,0,0|2,0,0]=3 93 B10R1.13 CC1=CC=C(S(=O)O)C=C1 SY113268 [1,0,0,0,0,0|3,0,0]=4 94 B10R1.13 CC1=CC=C(S(=O)[O-])C=C1 SY013741 [1,0,0,0,0,0|3,0,0]=4 95 B10R1.13 CC1=CC=C(S(N)=O)C=C1 SY261118 [1,0,0,0,0,0|3,0,0]=4 96 B10R1.13 CC1=CC=C([S@@](N)=O)C=C1 SY114833 [1,0,0,0,0,0|3,0,0]=4 97 B10R1.13 CC1=CN=C(C(F)F)C=C1 SY265896 [1,0,0,0,0,0|3,0,0]=4 98 B10R1.13 CC1=NC=C(C(F)F)C=C1 SY265924 [1,0,0,0,0,0|3,0,0]=4 99 B10R1.13 CN(C)C1=CC=C(Br)C=C1 SY013736 [1,0,0,0,0,0|2,0,0]=3 100 B10R1.13 CN(C)C1=CC=C(Cl)C=C1 SY027100 [1,0,0,0,0,0|2,0,0]=3 101 B10R1.13 CN(C)C1=NC=C(Br)C=C1 SY024322 [1,0,0,0,0,0|3,0,0]=4 102 B10R1.13 CN(C)C1=NC=C(I)C=C1 SY096673 [1,0,0,0,0,0|3,0,0]=4 103 B10R1.13 CS(=O)C1=CC=C(Br)C=C1 SY253160 [1,0,0,0,0,0|3,0,0]=4 104 B10R1.13 C[C@@H](N)C1=CC=C(Br)C=C1 SY009358 [1,0,0,0,0,0|2,0,0]=3 105 B10R1.13 C[C@@H](N)C1=CC=C(Br)C=C1 SY031357 [1,0,0,0,0,0|2,0,0]=3 106 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 SY007454 [1,0,0,0,0,0|2,0,0]=3 107 B10R1.13 C[C@@H](O)C1=CC=C(Br)C=C1 SY024772 [1,0,0,0,0,0|2,0,0]=3 108 B10R1.13 C[C@@H](O)C1=CC=C(Cl)C=C1 SY116631 [1,0,0,0,0,0|2,0,0]=3 109 B10R1.13 C[C@@H](O)C1=CC=C(F)C=C1 SY009324 [1,0,0,0,0,0|2,0,0]=3 110 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 SY009349 [1,0,0,0,0,0|2,0,0]=3 111 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 SY007451 [1,0,0,0,0,0|2,0,0]=3 112 B10R1.13 C[C@H](O)C1=CC=C(Br)C=C1 SY024771 [1,0,0,0,0,0|2,0,0]=3 113 B10R1.13 C[C@H](O)C1=CC=C(F)C=C1 SY009323 [1,0,0,0,0,0|2,0,0]=3 114 B10R1.13 Cc1ccc(C(C)C)cc1 SY010591 [1,0,0,0,0,0|0,0,0]=1 115 B10R1.13 Cc1ccc(C(C)C)cc1 SY010592 [1,0,0,0,0,0|0,0,0]=1 116 B10R1.13 FC(F)C1=CC=C(Br)C=C1 SY041190 [1,0,0,0,0,0|3,0,0]=4 117 B10R1.13 FC1=CC=C(C(Cl)Cl)C=C1 SY036853 [1,0,0,0,0,0|3,0,0]=4 118 B10R1.13 NC1=CC=C(C(F)F)C=C1 SY265648 [1,0,0,0,0,0|3,0,0]=4 119 B10R1.25 CC1=CC(Br)=CC=C1CBr SY035640 [1,0,0,0,0,0|3,0,0]=4 120 B10R1.25 CC1=CC(Br)=CC=C1CN SY040566 [1,0,0,0,0,0|3,0,0]=4 121 B10R1.25 CC1=CC(C)=C(C=O)C=C1 SY004505 [1,0,0,0,0,0|2,0,1]=4 122 B10R1.25 CC1=CC(C)=C(NN)C=C1 SY022153 [1,0,0,0,0,0|3,0,0]=4 123 B10R1.25 CC1=CC(F)=C(C#N)C=C1 SY016337 [1,0,0,0,0,0|2,0,1]=4 124 B10R1.25 CC1=CC(F)=C(C=O)C=C1 SY003457 [1,0,0,0,0,0|2,0,1]=4 125 B10R1.25 CC1=CC(N)=CC=C1CO SY026487 [1,0,0,0,0,0|3,0,0]=4 126 B10R1.25 CC1=CC=C(C#N)C(Br)=C1 SY017091 [1,0,0,0,0,0|2,0,1]=4 127 B10R1.25 CC1=CC=C(C#N)C(Cl)=C1 SY030512 [1,0,0,0,0,0|2,0,1]=4 128 B10R1.25 CC1=CC=C(C#N)C(N)=C1 SY020331 [1,0,0,0,0,0|2,0,1]=4 129 B10R1.25 CC1=CC=C(C#N)C(O)=C1 SY102365 [1,0,0,0,0,0|1,0,1]=3 130 B10R1.25 CC1=CC=C(C=O)C(O)=C1 SY050636 [1,0,0,0,0,0|1,0,1]=3 131 B10R1.25 CC1=CC=C(CBr)C(C)=C1 SY107769 [1,0,0,0,0,0|2,0,0]=3 132 B10R1.25 CC1=CC=C(CO)C(C)=C1 SY049649 [1,0,0,0,0,0|2,0,0]=3 133 B10R1.25 CC1=CC=C(NN)C(Cl)=C1 SY013514 [1,0,0,0,0,0|3,0,0]=4 134 B10R1.25 CC1=CC=C(ON)C(C)=C1 SY282150 [1,0,0,0,0,0|3,0,0]=4 135 B10R1.25 CC1=CC=C(ON)C(C)=C1 SY282151 [1,0,0,0,0,0|3,0,0]=4 136 B10R1.25 CC1=CC=C(ON)C(Cl)=C1 SY282158 [1,0,0,0,0,0|3,0,0]=4 137 B10R1.25 CC1=CC=C(ON)C(Cl)=C1 SY282159 [1,0,0,0,0,0|3,0,0]=4 138 B10R1.25 CC1=CC=C(ON)C(F)=C1 SY282220 [1,0,0,0,0,0|3,0,0]=4 139 B10R1.25 CC1=CC=C(ON)C(F)=C1 SY282221 [1,0,0,0,0,0|3,0,0]=4 140 B10R1.25 CC1=NC(O)=C(C#N)C=C1 SY003427 [1,0,0,0,0,0|2,0,1]=4 141 B10R1.25 CCC1=CC=C(N)C=C1Br SY241973 [1,0,0,0,0,0|2,0,0]=3 142 B10R1.25 CCC1=CC=C(O)C=C1O SY049095 [1,0,0,0,0,0|1,0,0]=2 143 B10R1.25 CNC1=CC=C(Br)C=C1N SY260087 [1,0,0,0,0,0|3,0,0]=4 144 B10R1.25 COC1=C(Br)C=C(F)C=C1 SY016157 [1,0,0,0,0,0|3,0,0]=4 145 B10R1.25 COC1=C(C)C=C(Br)C=C1 SY018966 [1,0,0,0,0,0|3,0,0]=4 146 B10R1.25 COC1=C(F)C=C(Br)C=C1 SY016077 [1,0,0,0,0,0|3,0,0]=4 147 B10R1.25 COC1=C(O)C=C(Br)C=C1 SY051105 [1,0,0,0,0,0|2,0,0]=3 148 B10R1.25 COC1=C(O)C=C(F)C=C1 SY018596 [1,0,0,0,0,0|2,0,0]=3 149 B10R1.25 COC1=CC=C(Br)C=C1Cl SY025038 [1,0,0,0,0,0|3,0,0]=4 150 B10R1.25 COC1=CC=C(Br)C=C1N SY024925 [1,0,0,0,0,0|3,0,0]=4 151 B10R1.25 COC1=CC=C(C)C=C1Br SY032235 [1,0,0,0,0,0|2,0,0]=3 152 B10R1.25 COC1=CC=C(C)C=C1O SY037881 [1,0,0,0,0,0|1,0,0]=2 153 B10R1.25 COC1=CC=C(Cl)C=C1Br SY016835 [1,0,0,0,0,0|3,0,0]=4 154 B10R1.25 COC1=CC=C(Cl)C=C1Cl SY038923 [1,0,0,0,0,0|3,0,0]=4 155 B10R1.25 COC1=CC=C(Cl)C=C1O SY035275 [1,0,0,0,0,0|2,0,0]=3 156 B10R1.25 COC1=CC=C(F)C=C1C SY040560 [1,0,0,0,0,0|3,0,0]=4 157 B10R1.25 COC1=CC=C(F)C=C1N SY009788 [1,0,0,0,0,0|3,0,0]=4 158 B10R1.25 COC1=CC=C(I)C=C1Br SY239598 [1,0,0,0,0,0|3,0,0]=4 159 B10R1.25 COC1=CC=C(N)C=C1Br SY024315 [1,0,0,0,0,0|3,0,0]=4 160 B10R1.25 COC1=CC=C(N)C=C1C SY045490 [1,0,0,0,0,0|3,0,0]=4 161 B10R1.25 COC1=CC=C(N)C=C1Cl SY011022 [1,0,0,0,0,0|3,0,0]=4 162 B10R1.25 COC1=CC=C(N)C=C1F SY020880 [1,0,0,0,0,0|3,0,0]=4 163 B10R1.25 COC1=CC=C(N)C=C1O SY007941 [1,0,0,0,0,0|2,0,0]=3 164 B10R1.25 COC1=NC=C(F)C=C1O SY045811 [1,0,0,0,0,0|3,0,0]=4 165 B10R1.25 CSC1=CC=C(N)C=C1Br SY218647 [1,0,0,0,0,0|3,0,0]=4 166 B10R1.25 ClC1=CC(Br)=CC=C1CBr SY107562 [1,0,0,0,0,0|3,0,0]=4 167 B10R1.25 ClC1=CC=C(CBr)C(Br)=C1 SY187385 [1,0,0,0,0,0|3,0,0]=4 168 B10R1.25 FC1=CC=C(CBr)C(Br)=C1 SY027593 [1,0,0,0,0,0|3,0,0]=4 169 B10R1.25 FC1=CC=C(CCl)C(F)=C1 SY040263 [1,0,0,0,0,0|3,0,0]=4 170 B10R1.25 N#CC1=CC=C(Br)C=C1O SY024189 [1,0,0,0,0,0|2,0,1]=4 171 B10R1.25 N#CC1=CC=C(I)C=C1O SY264862 [1,0,0,0,0,0|2,0,1]=4 172 B10R1.25 NC1=CC(Br)=CC=C1CO SY047010 [1,0,0,0,0,0|3,0,0]=4 173 B10R1.25 NC1=CC(F)=CC=C1CO SY129161 [1,0,0,0,0,0|3,0,0]=4 174 B10R1.25 NCC1=C(Cl)C=C(Cl)C=C1 SY005582 [1,0,0,0,0,0|3,0,0]=4 175 B10R1.25 NCC1=C(Cl)C=C(N)C=C1 SY141649 [1,0,0,0,0,0|3,0,0]=4 176 B10R1.25 NCC1=CC=C(Cl)C=C1N SY129885 [1,0,0,0,0,0|3,0,0]=4 177 B10R1.25 O=CC1=C(O)C=C(O)C=C1 SY007063 [1,0,0,0,0,0|2,0,1]=4 178 B10R1.25 O=CC1=CC=C(Br)C=C1O SY010339 [1,0,0,0,0,0|2,0,1]=4 179 B10R1.25 O=CC1=CC=C(Cl)C=C1O SY018630 [1,0,0,0,0,0|2,0,1]=4 180 B10R1.25 O=CC1=CC=C(F)C=C1O SY030946 [1,0,0,0,0,0|2,0,1]=4 181 B10R1.25 OCC1=C(Br)C=C(F)C=C1 SY018199 [1,0,0,0,0,0|3,0,0]=4 182 B10R1.25 OCC1=C(Cl)C=C(Cl)C=C1 SY015811 [1,0,0,0,0,0|3,0,0]=4 183 B10R1.25 OCC1=C(Cl)C=C(F)C=C1 SY003745 [1,0,0,0,0,0|3,0,0]=4 184 B10R1.25 OCC1=C(F)C=C(F)C=C1 SY016333 [1,0,0,0,0,0|3,0,0]=4 185 B10R1.25 OCC1=CC=C(Br)C=C1Br SY051227 [1,0,0,0,0,0|3,0,0]=4 186 B10R1.25 OCC1=CC=C(Br)C=C1F SY019197 [1,0,0,0,0,0|3,0,0]=4 187 B10R1.25 OCC1=CC=C(Cl)C=C1F SY032819 [1,0,0,0,0,0|3,0,0]=4 188 B10R1.25 OCC1=CC=C(I)C=C1Br SY259614 [1,0,0,0,0,0|3,0,0]=4 189 B10R1.61 C=C(C)C1=CC=CC=C1F SY154483 [1,0,0,0,0,0|1,0,2]=4 190 B10R1.61 CC(=O)C1=C(I)C=CC=C1 SY010667 [1,0,0,0,0,0|2,0,1]=4 191 B10R1.61 CC(=O)C1=CC=CC=C1Br SY002108 [1,0,0,0,0,0|2,0,1]=4 192 B10R1.61 CC(=O)C1=CC=CC=C1C SY002283 [1,0,0,0,0,0|2,0,1]=4 193 B10R1.61 CC(=O)C1=CC=CC=C1N SY001368 [1,0,0,0,0,0|2,0,1]=4 194 B10R1.61 CC(C)C1=C(N)C=CC=C1 SY006015 [1,0,0,0,0,0|1,0,0]=2 195 B10R1.61 CC(C)C1=CC=CC=C1Br SY026917 [1,0,0,0,0,0|1,0,0]=2 196 B10R1.61 CC(C)C1=CC=CC=C1I SY048195 [1,0,0,0,0,0|1,0,0]=2 197 B10R1.61 CC(N)C1=CC=CC=C1Cl SY002632 [1,0,0,0,0,0|2,0,0]=3 198 B10R1.61 CC(N)C1=CC=CC=C1F SY002510 [1,0,0,0,0,0|2,0,0]=3 199 B10R1.61 CC(N)C1=CC=CC=C1F SY096571 [1,0,0,0,0,0|2,0,0]=3 200 B10R1.61 CC(N)C1=CC=CC=C1O SY026082 [1,0,0,0,0,0|1,0,0]=2 201 B10R1.61 CC(N)C1=CC=CN=C1F SY249601 [1,0,0,0,0,0|3,0,0]=4 202 B10R1.61 CC(O)C1=C(Br)C=CC=C1 SY005052 [1,0,0,0,0,0|2,0,0]=3 203 B10R1.61 CC(O)C1=C(Cl)C=CC=C1 SY005057 [1,0,0,0,0,0|2,0,0]=3 204 B10R1.61 CC(O)C1=C(F)C=CC=C1 SY005055 [1,0,0,0,0,0|2,0,0]=3 205 B10R1.61 CC(O)C1=C(N)C=CC=C1 SY005046 [1,0,0,0,0,0|2,0,0]=3 206 B10R1.61 CC1=C(C(C)N)C=CC=C1 SY006058 [1,0,0,0,0,0|2,0,0]=3 207 B10R1.61 CC1=C(C(C)O)C=CC=C1 SY005056 [1,0,0,0,0,0|2,0,0]=3 208 B10R1.61 CC1=CC=CC=C1C(C)N SY002511 [1,0,0,0,0,0|2,0,0]=3 209 B10R1.61 CC1=CC=CC=C1C(F)F SY265643 [1,0,0,0,0,0|3,0,0]=4 210 B10R1.61 CC1=NC=CC=C1C(C)N SY249588 [1,0,0,0,0,0|3,0,0]=4 211 B10R1.61 CN(C)C1=CC=CC=C1Br SY024924 [1,0,0,0,0,0|2,0,0]=3 212 B10R1.61 CN(C)C1=CC=CC=C1N SY032003 [1,0,0,0,0,0|2,0,0]=3 213 B10R1.61 C[C@@H](O)C1=CC=CC=C1Br SY024770 [1,0,0,0,0,0|2,0,0]=3 214 B10R1.61 C[C@@H](O)C1=CC=CC=C1Cl SY024788 [1,0,0,0,0,0|2,0,0]=3 215 B10R1.61 C[C@@H](O)C1=CC=CC=C1F SY040023 [1,0,0,0,0,0|2,0,0]=3 216 B10R1.61 C[C@H](N)C1=CC=CC=C1F SY008657 [1,0,0,0,0,0|2,0,0]=3 217 B10R1.61 C[C@H](N)C1=CC=CC=C1F SY224243 [1,0,0,0,0,0|2,0,0]=3 218 B10R1.61 C[C@H](O)C1=CC=CC=C1Cl SY024787 [1,0,0,0,0,0|2,0,0]=3 219 B10R1.61 C[C@H](O)C1=NC=CC=C1Br SY289336 [1,0,0,0,0,0|3,0,0]=4 220 B10R1.61 FC(F)C1=CC=CC=C1Br SY035109 [1,0,0,0,0,0|3,0,0]=4 221 B10R1.61 FC(F)C1=CC=CC=C1Cl SY265649 [1,0,0,0,0,0|3,0,0]=4 222 B10R1.61 FC(F)C1=CC=CC=C1I SY265917 [1,0,0,0,0,0|3,0,0]=4 223 B10R1.61 NC1=CC=CC=C1C(F)F SY265647 [1,0,0,0,0,0|3,0,0]=4 224 B10R1.61 O=C([O-])C1=CC=CC=C1O SY013574 [1,0,0,0,0,0|2,0,1]=4 225 B10R1.61 OB(O)C1=CC=CC=C1O SY006783 [1,0,0,0,0,0|3,0,0]=4 226 B12R1.57 CC1=CC=C([N+](=O)[O-])C(ON)=C1 SY281918 [0,1,0,0,0,0|3,0,0]=4 227 B12R1.57 CC1=CC=C([N+](=O)[O-])C(ON)=C1 SY281919 [0,1,0,0,0,0|3,0,0]=4 228 B12R1.57 COC1=CC(Br)=CC=C1C(C)=O SY032008 [0,1,0,0,0,0|2,0,1]=4 229 B12R1.57 COC1=CC(Br)=CC=C1C(F)F SY251092 [0,1,0,0,0,0|3,0,0]=4 230 B12R1.57 COC1=CC(C)=CC=C1C(=O)O SY014419 [0,1,0,0,0,0|2,0,1]=4 231 B12R1.57 COC1=CC(F)=CC=C1C(F)F SY265903 [0,1,0,0,0,0|3,0,0]=4 232 B12R1.57 COC1=CC(O)=CC=C1C(C)=O SY253576 [0,1,0,0,0,0|2,0,1]=4 233 B12R1.126 CC(C)(O)C1=C(Cl)C=C(Cl)N=C1 SY271934 [0,1,0,0,0,0|3,0,0]=4 234 B12R1.126 CC1=CC=C(C(F)(F)F)C(O)=C1 SY215811 [0,1,0,0,0,0|2,0,0]=3 235 B12R1.126 C[Si](C)(C)C1=CC=C(F)C=C1F SY022240 [0,1,0,0,0,0|2,1,0]=4 236 B12R1.232 CC(=O)C1=CC(C)=C(Br)C=C1O SY280495 [0,1,0,0,0,0|2,0,1]=4 237 B12R1.452 COC1=CC(Br)=C(C(C)=O)C=C1 SY003342 [0,1,0,0,0,0|2,0,1]=4 238 B12R1.452 COC1=CC(F)=C(C(C)=O)C=C1 SY012771 [0,1,0,0,0,0|2,0,1]=4 239 B12R1.452 COC1=CC(O)=C(C(=O)O)C=C1 SY008083 [0,1,0,0,0,0|2,0,1]=4 240 B12R1.452 COC1=CC(O)=C(C(C)=O)C=C1 SY013508 [0,1,0,0,0,0|1,0,1]=3 241 B12R1.452 COC1=CC=C(C(F)F)C(C)=C1 SY265822 [0,1,0,0,0,0|3,0,0]=4 242 B12R1.452 COC1=CC=C(C(F)F)C(Cl)=C1 SY265931 [0,1,0,0,0,0|3,0,0]=4 243 B12R1.452 COC1=CC=C(C(F)F)C(F)=C1 SY265912 [0,1,0,0,0,0|3,0,0]=4 244 B12R1.452 COC1=CC=C([N+](=O)[O-])C(O)=C1 SY022012 [0,1,0,0,0,0|3,0,0]=4 245 B12R1.1000 CC(=O)C1=C(O)C=C(C)C=C1O SY003375 [0,1,0,0,0,0|1,0,1]=3 246 B12R1.1000 CC(=O)C1=C(O)C=C(O)C=C1O SY001238 [0,1,0,0,0,0|2,0,1]=4 247 B12R1.1000 CC(=O)C1=C(O)C=C(O)C=C1O SY031234 [0,1,0,0,0,0|2,0,1]=4 248 B12R1.1000 CC(O)C1=C(F)C=C(Br)C=C1F SY103745 [0,1,0,0,0,0|3,0,0]=4 249 B12R1.1000 CC1=CC(C)=C(C(F)F)C(C)=C1 SY265954 [0,1,0,0,0,0|3,0,0]=4 250 B12R1.1703 CC1=CC(Cl)=CC=C1C(N)CO SY263554 [0,1,0,0,0,0|3,0,0]=4 251 B12R1.1703 CCC(O)C1=CC=C(F)C=C1Br SY298767 [0,1,0,0,0,0|3,0,0]=4 252 B12R1.1703 COC(=O)C1=C(O)C=C(C)C=C1 SY004623 [0,1,0,0,0,0|1,0,1]=3 253 B12R1.1703 COC(=O)C1=C(O)C=C(N)C=C1 SY005181 [0,1,0,0,0,0|2,0,1]=4 254 B12R1.1703 COC(=O)C1=C(O)C=C(O)C=C1 SY015923 [0,1,0,0,0,0|2,0,1]=4 255 B12R1.1703 COC(=O)C1=CC=C(Br)C=C1O SY029993 [0,1,0,0,0,0|2,0,1]=4 256 B12R1.1703 COC(=O)C1=CC=C(C)C=C1Br SY021309 [0,1,0,0,0,0|2,0,1]=4 257 B12R1.1703 COC(=O)C1=CC=C(C)C=C1N SY034473 [0,1,0,0,0,0|2,0,1]=4 258 B12R1.1703 COC(=O)C1=CC=C(Cl)C=C1O SY101652 [0,1,0,0,0,0|2,0,1]=4 259 B12R1.1703 COC(=O)C1=CC=C(F)C=C1O SY012803 [0,1,0,0,0,0|2,0,1]=4 260 B12R1.1703 COC(=O)C1=CC=C(I)C=C1O SY038931 [0,1,0,0,0,0|2,0,1]=4 261 B12R1.1703 NC(CO)C1=CC=C(Cl)C=C1Br SY263555 [0,1,0,0,0,0|3,0,0]=4 262 B12R1.1703 O=C(CCl)C1=CC=C(F)C=C1O SY023817 [0,1,0,0,0,0|2,0,1]=4 263 B12R1.1703 O[C@H](CCl)C1=CC=C(Cl)C=C1Cl SY195790 [0,1,0,0,0,0|3,0,0]=4 264 B12R2.612 CC1=CC2=C(C=C1)C(=O)CC2 SY107054 [0,0,0,1,0,0|2,0,1]=4 265 B12R2.612 CC1=CC=C2C(=C1)ON=C2Cl SY103184 [0,0,0,1,0,0|2,0,1]=4 266 B12R2.612 CC1=CC=C2C(=O)COC2=C1 SY058301 [0,0,0,1,0,0|1,0,1]=3 267 B12R2.612 CC1=COC2=CC(Br)=CC=C12 SY294090 [0,0,0,1,0,0|1,0,2]=4 268 B12R2.612 CC1=NOC2=C1C=CC(O)=C2 SY108009 [0,0,0,1,0,0|2,0,1]=4 269 B12R2.612 CC1=NOC2=CC(Br)=CC=C21 SY239981 [0,0,0,1,0,0|2,0,1]=4 270 B12R2.612 CC1=NOC2=CC(Cl)=CC=C21 SY298821 [0,0,0,1,0,0|2,0,1]=4 271 B12R2.612 CC1=NOC2=CC(F)=CC=C21 SY298842 [0,0,0,1,0,0|2,0,1]=4 272 B12R2.612 NC1CCC2=C1C=CC(Br)=C2 SY249642 [0,0,0,1,0,0|3,0,0]=4 273 B12R2.612 NC1COC2=CC(Cl)=CC=C21 SY277188 [0,0,0,1,0,0|2,0,0]=3 274 B12R2.612 N[C@H]1COC2=CC(Cl)=CC=C21 SY245773 [0,0,0,1,0,0|2,0,0]=3 275 B12R2.612 O=C1COC2=C1C=CC(O)=C2 SY019039 [0,0,0,1,0,0|2,0,1]=4 276 B12R2.612 O=C1COC2=CC(Br)=CC=C12 SY033914 [0,0,0,1,0,0|2,0,1]=4 277 B12R2.612 O=C1COC2=CC(Cl)=CC=C12 SY009720 [0,0,0,1,0,0|2,0,1]=4 278 B12R2.612 O=C1COC2=CC(F)=CC=C12 SY011535 [0,0,0,1,0,0|2,0,1]=4 279 B12R2.612 O[C@@H]1CCC2=C1C=CC(Br)=C2 SY123884 [0,0,0,1,0,0|3,0,0]=4 280 B12R2.612 O[C@H]1CCC2=C1C=CC(Br)=C2 SY258330 [0,0,0,1,0,0|3,0,0]=4 281 B12R2.1317 CC1=CC(F)=CC=C1C2CC2 SY263862 [0,0,0,1,0,0|2,0,0]=3 282 B12R2.1317 CC1=CC(N)=CC=C1C2CC2 SY155953 [0,0,0,1,0,0|2,0,0]=3 283 B12R2.1317 CC1=CC=C(C2CC2)C(C)=C1 SY263885 [0,0,0,1,0,0|1,0,0]=2 284 B12R2.1317 CC1=CC=C(C2CC2)C(Cl)=C1 SY264007 [0,0,0,1,0,0|1,0,0]=2 285 B12R2.1317 CC1=CC=C(C2CC2)C(F)=C1 SY263848 [0,0,0,1,0,0|1,0,0]=2 286 B12R2.1317 CC1=CC=C(C2CC2)C(N)=C1 SY264047 [0,0,0,1,0,0|1,0,0]=2 287 B12R2.1317 ClC1=CC(Br)=NC=C1C2CC2 SY292338 [0,0,0,1,0,0|3,0,0]=4 288 B12R2.1317 ClC1=CC=C(C2CC2)C(Cl)=C1 SY264097 [0,0,0,1,0,0|2,0,0]=3 289 B12R2.1317 FC1=CC(Cl)=CC=C1C2CC2 SY263930 [0,0,0,1,0,0|2,0,0]=3 290 B12R2.1317 FC1=CC=C(C2CC2)C(F)=C1 SY263884 [0,0,0,1,0,0|2,0,0]=3 291 B12R2.1317 NC1=CC(Cl)=CC=C1C2CC2 SY264058 [0,0,0,1,0,0|2,0,0]=3 292 B12R2.1317 NC1=CC(F)=CC=C1C2CC2 SY264056 [0,0,0,1,0,0|2,0,0]=3 293 B12R2.1317 NC1=CC=C(C2CC2)C(Cl)=C1 SY263966 [0,0,0,1,0,0|2,0,0]=3 294 B12R2.1317 NC1=CC=C(C2CC2)C(F)=C1 SY161513 [0,0,0,1,0,0|2,0,0]=3 295 B10R1.59 CC1=NN(C(C)C)C(N)=C1 SY023127 [0,0,0,0,1,0|3,0,0]=4 296 B12R1.233 CC(=O)NC1=CC=C(C)C=C1C SY005895 [0,0,0,0,0,1|2,0,1]=4 297 B9R1.1 CC1=CC=C(ON)C=C1 SY282046 [2,0,0,0,0,0|2,0,0]=4 298 B9R1.1 CC1=CC=C(ON)C=C1 SY282047 [2,0,0,0,0,0|2,0,0]=4 299 B9R1.1 CC1=CN=C(CBr)C=C1 SY253141 [2,0,0,0,0,0|2,0,0]=4 300 B9R1.1 CC1=CN=C(CN)C=C1 SY032973 [2,0,0,0,0,0|2,0,0]=4 301 B9R1.1 CC1=CN=C(CO)C=C1 SY025498 [2,0,0,0,0,0|2,0,0]=4 302 B9R1.1 CC1=NC=C(CN)C=C1 SY034719 [2,0,0,0,0,0|2,0,0]=4 303 B9R1.1 CC1=NC=C(CO)C=C1 SY028280 [2,0,0,0,0,0|2,0,0]=4 304 B9R1.1 CCC1=CC=C(C)C=C1 SY035727 [2,0,0,0,0,0|0,0,0]=2 305 B9R1.1 CCC1=CC=C(I)C=C1 SY101013 [2,0,0,0,0,0|1,0,0]=3 306 B9R1.1 CCC1=CC=C(N)C=C1 SY012867 [2,0,0,0,0,0|1,0,0]=3 307 B9R1.1 CCC1=CN=C(N)C=C1 SY025370 [2,0,0,0,0,0|2,0,0]=4 308 B9R1.1 CCC1=NC=C(Br)C=C1 SY096806 [2,0,0,0,0,0|2,0,0]=4 309 B9R1.1 CNC1=CC=C(Br)C=C1 SY050556 [2,0,0,0,0,0|2,0,0]=4 310 B9R1.1 COC1=CC=C(Cl)C=C1 SY005701 [2,0,0,0,0,0|2,0,0]=4 311 B9R1.1 COC1=CC=C(I)C=C1 SY001036 [2,0,0,0,0,0|2,0,0]=4 312 B9R1.1 COC1=NC=C(C)C=C1 SY030140 [2,0,0,0,0,0|2,0,0]=4 313 B9R1.1 NC1=CC=C(CO)C=C1 SY015076 [2,0,0,0,0,0|2,0,0]=4 314 B9R1.1 NCC1=CC=C(I)C=C1 SY050233 [2,0,0,0,0,0|2,0,0]=4 315 B9R1.1 NCC1=CC=C(N)C=C1 SY058286 [2,0,0,0,0,0|2,0,0]=4 316 B9R1.1 NCC1=CC=C(O)C=C1 SY026754 [2,0,0,0,0,0|2,0,0]=4 317 B9R1.1 OCC1=CC=C(Br)C=C1 SY006440 [2,0,0,0,0,0|2,0,0]=4 318 B9R1.1 OCC1=CC=C(Cl)C=C1 SY001234 [2,0,0,0,0,0|2,0,0]=4 319 B9R1.1 OCC1=CC=C(F)C=C1 SY006438 [2,0,0,0,0,0|2,0,0]=4 320 B9R1.1 OCC1=CC=C(I)C=C1 SY019171 [2,0,0,0,0,0|2,0,0]=4 321 B9R1.1 OCC1=CC=C(O)C=C1 SY003753 [2,0,0,0,0,0|2,0,0]=4 322 B9R1.6 CC(C)C1=CC=CCC1 SY292102 [2,0,0,0,0,0|0,0,2]=4 323 B9R1.6 CC(C)C1=CCCC=C1 SY292103 [2,0,0,0,0,0|0,0,2]=4 324 B9R1.6 CC(N)C1=CC=CN=C1 SY005518 [2,0,0,0,0,0|2,0,0]=4 325 B9R1.6 CC(N)C1=CC=NC=C1 SY005514 [2,0,0,0,0,0|2,0,0]=4 326 B9R1.6 CC(N)C1=NC=CC=C1 SY005425 [2,0,0,0,0,0|2,0,0]=4 327 B9R1.6 CC(N)C1=NC=CC=C1 SY023696 [2,0,0,0,0,0|2,0,0]=4 328 B9R1.6 CC(O)C1=CC=CN=C1 SY006085 [2,0,0,0,0,0|2,0,0]=4 329 B9R1.6 CC(O)C1=CC=NC=C1 SY006084 [2,0,0,0,0,0|2,0,0]=4 330 B9R1.6 CC(O)C1=NC=CC=C1 SY004070 [2,0,0,0,0,0|2,0,0]=4 331 B9R1.6 C[C@@H](N)C1=CC=CN=C1 SY105422 [2,0,0,0,0,0|2,0,0]=4 332 B9R1.6 C[C@@H](N)C1=CC=NC=C1 SY011547 [2,0,0,0,0,0|2,0,0]=4 333 B9R1.6 C[C@@H](N)C1=CC=NC=C1 SY253760 [2,0,0,0,0,0|2,0,0]=4 334 B9R1.6 C[C@@H](N)C1=NC=CC=C1 SY016895 [2,0,0,0,0,0|2,0,0]=4 335 B9R1.6 C[C@@H](O)C1=CC=CC=C1 SY007833 [2,0,0,0,0,0|1,0,0]=3 336 B9R1.6 C[C@@H](O)C1=CN=CC=C1 SY008212 [2,0,0,0,0,0|2,0,0]=4 337 B9R1.6 C[C@@H](O)C1=NC=CC=C1 SY009224 [2,0,0,0,0,0|2,0,0]=4 338 B9R1.6 C[C@H](N)C1=CC=CN=C1 SY033903 [2,0,0,0,0,0|2,0,0]=4 339 B9R1.6 C[C@H](N)C1=CC=NC=C1 SY011546 [2,0,0,0,0,0|2,0,0]=4 340 B9R1.6 C[C@H](N)C1=NC=CC=C1 SY010698 [2,0,0,0,0,0|2,0,0]=4 341 B9R1.6 C[C@H](O)C1=CN=CC=C1 SY008211 [2,0,0,0,0,0|2,0,0]=4 342 B9R1.6 FC(F)C1=CC=CC=C1 SY024386 [2,0,0,0,0,0|2,0,0]=4 343 B9R1.15 C#CC1=CC=CC=C1O SY032039 [2,0,0,0,0,0|0,0,2]=4 344 B9R1.15 CC1=C(CO)C=CC=C1 SY013626 [2,0,0,0,0,0|2,0,0]=4 345 B9R1.15 CCC1=C(Br)C=NC=C1 SY029943 [2,0,0,0,0,0|2,0,0]=4 346 B9R1.15 CCC1=CC=CC=C1O SY012952 [2,0,0,0,0,0|0,0,0]=2 347 B9R1.15 CCC1=NC=CC=C1Br SY029944 [2,0,0,0,0,0|2,0,0]=4 348 B9R1.15 CNC1=CC=CC=C1Br SY246165 [2,0,0,0,0,0|2,0,0]=4 349 B9R1.15 CNC1=CC=CC=C1Cl SY048562 [2,0,0,0,0,0|2,0,0]=4 350 B9R1.15 CNC1=CC=CC=C1F SY018442 [2,0,0,0,0,0|2,0,0]=4 351 B9R1.15 CNC1=CC=CC=C1N SY045512 [2,0,0,0,0,0|2,0,0]=4 352 B9R1.15 COC1=C(I)C=CC=C1 SY017939 [2,0,0,0,0,0|2,0,0]=4 353 B9R1.15 COC1=CC=CC=C1Cl SY026857 [2,0,0,0,0,0|2,0,0]=4 354 B9R1.15 COC1=CC=CC=C1N SY277586 [2,0,0,0,0,0|2,0,0]=4 355 B9R1.15 COC1=CC=CC=C1O SY048708 [2,0,0,0,0,0|1,0,0]=3 356 B9R1.15 COC1=NC=CC=C1O SY068872 [2,0,0,0,0,0|2,0,0]=4 357 B9R1.15 CSC1=C(O)C=CC=C1 SY008439 [2,0,0,0,0,0|1,0,0]=3 358 B9R1.15 NC1=C(CO)C=CC=C1 SY006439 [2,0,0,0,0,0|2,0,0]=4 359 B9R1.15 NCC1=CC=CC=C1I SY041411 [2,0,0,0,0,0|2,0,0]=4 360 B9R1.15 NCC1=CC=CC=C1O SY018673 [2,0,0,0,0,0|1,0,0]=3 361 B9R1.15 OCC1=C(Br)C=CC=C1 SY006444 [2,0,0,0,0,0|2,0,0]=4 362 B9R1.15 OCC1=C(Cl)C=CC=C1 SY003561 [2,0,0,0,0,0|2,0,0]=4 363 B9R1.15 OCC1=C(I)C=CC=C1 SY013872 [2,0,0,0,0,0|2,0,0]=4 364 B9R1.15 OCC1=C(O)C=CC=C1 SY012296 [2,0,0,0,0,0|1,0,0]=3 365 B9R1.15 OCC1=C(O)C=NC=C1 SY277434 [2,0,0,0,0,0|2,0,0]=4 366 B9R1.15 OCC1=CC=CC=C1F SY032653 [2,0,0,0,0,0|2,0,0]=4 367 B9R1.69 CC1=C(F)C=C(Br)C=C1 SY004432 [2,0,0,0,0,0|2,0,0]=4 368 B9R1.69 CC1=C(F)C=C(O)C=C1 SY019309 [2,0,0,0,0,0|2,0,0]=4 369 B9R1.69 CC1=C(O)C=C(N)C=C1 SY007529 [2,0,0,0,0,0|1,0,0]=3 370 B9R1.69 CC1=CC(Br)=C(C)C=C1 SY005952 [2,0,0,0,0,0|1,0,0]=3 371 B9R1.69 CC1=CC(Br)=C(F)C=C1 SY016043 [2,0,0,0,0,0|2,0,0]=4 372 B9R1.69 CC1=CC(C)=C(I)C=C1 SY017104 [2,0,0,0,0,0|2,0,0]=4 373 B9R1.69 CC1=CC(F)=C(I)C=C1 SY020670 [2,0,0,0,0,0|2,0,0]=4 374 B9R1.69 CC1=CC(N)=C(Br)C=C1 SY019865 [2,0,0,0,0,0|2,0,0]=4 375 B9R1.69 CC1=CC(N)=C(Cl)C=C1 SY018334 [2,0,0,0,0,0|2,0,0]=4 376 B9R1.69 CC1=CC(O)=C(F)C=C1 SY020674 [2,0,0,0,0,0|1,0,0]=3 377 B9R1.69 CC1=CC(O)=C(N)C=C1 SY018794 [2,0,0,0,0,0|1,0,0]=3 378 B9R1.69 CC1=CC=C(Br)C(Br)=C1 SY016350 [2,0,0,0,0,0|2,0,0]=4 379 B9R1.69 CC1=CC=C(Br)C(Cl)=C1 SY017742 [2,0,0,0,0,0|2,0,0]=4 380 B9R1.69 CC1=CC=C(Br)C(I)=C1 SY051407 [2,0,0,0,0,0|2,0,0]=4 381 B9R1.69 CC1=CC=C(Br)C(O)=C1 SY020550 [2,0,0,0,0,0|1,0,0]=3 382 B9R1.69 CC1=CC=C(Br)C=C1Br SY018606 [2,0,0,0,0,0|2,0,0]=4 383 B9R1.69 CC1=CC=C(Br)C=C1Cl SY016937 [2,0,0,0,0,0|2,0,0]=4 384 B9R1.69 CC1=CC=C(Br)C=C1I SY040791 [2,0,0,0,0,0|2,0,0]=4 385 B9R1.69 CC1=CC=C(Br)C=C1N SY017942 [2,0,0,0,0,0|2,0,0]=4 386 B9R1.69 CC1=CC=C(Br)C=C1O SY018453 [2,0,0,0,0,0|1,0,0]=3 387 B9R1.69 CC1=CC=C(C)C(Cl)=C1 SY053924 [2,0,0,0,0,0|1,0,0]=3 388 B9R1.69 CC1=CC=C(C)C(Cl)=N1 SY026988 [2,0,0,0,0,0|2,0,0]=4 389 B9R1.69 CC1=CC=C(C)C(N)=N1 SY011904 [2,0,0,0,0,0|2,0,0]=4 390 B9R1.69 CC1=CC=C(Cl)C(Br)=C1 SY017112 [2,0,0,0,0,0|2,0,0]=4 391 B9R1.69 CC1=CC=C(Cl)C(F)=C1 SY013910 [2,0,0,0,0,0|2,0,0]=4 392 B9R1.69 CC1=CC=C(Cl)C=C1Br SY017003 [2,0,0,0,0,0|2,0,0]=4 393 B9R1.69 CC1=CC=C(Cl)C=C1I SY106563 [2,0,0,0,0,0|2,0,0]=4 394 B9R1.69 CC1=CC=C(F)C(C)=C1 SY157707 [2,0,0,0,0,0|2,0,0]=4 395 B9R1.69 CC1=CC=C(F)C=C1Br SY014389 [2,0,0,0,0,0|2,0,0]=4 396 B9R1.69 CC1=CC=C(I)C(Br)=C1 SY014476 [2,0,0,0,0,0|2,0,0]=4 397 B9R1.69 CC1=CC=C(I)C(N)=C1 SY030137 [2,0,0,0,0,0|2,0,0]=4 398 B9R1.69 CC1=CC=C(I)C=C1Br SY017795 [2,0,0,0,0,0|2,0,0]=4 399 B9R1.69 CC1=CC=C(I)C=C1C SY029574 [2,0,0,0,0,0|2,0,0]=4 400 B9R1.69 CC1=CC=C(I)C=C1Cl SY017060 [2,0,0,0,0,0|2,0,0]=4 401 B9R1.69 CC1=CC=C(I)C=C1F SY013795 [2,0,0,0,0,0|2,0,0]=4 402 B9R1.69 CC1=CC=C(I)C=C1N SY019034 [2,0,0,0,0,0|2,0,0]=4 403 B9R1.69 CC1=CC=C(N)C(I)=C1 SY039927 [2,0,0,0,0,0|2,0,0]=4 404 B9R1.69 CC1=CC=C(N)C=C1F SY013813 [2,0,0,0,0,0|2,0,0]=4 405 B9R1.69 CC1=CC=C(N)C=C1I SY051359 [2,0,0,0,0,0|2,0,0]=4 406 B9R1.69 CC1=CC=C(O)C(Br)=C1 SY049117 [2,0,0,0,0,0|2,0,0]=4 407 B9R1.69 CC1=CC=C(O)C(I)=C1 SY041376 [2,0,0,0,0,0|2,0,0]=4 408 B9R1.69 CC1=CC=C(O)C(O)=C1 SY012747 [2,0,0,0,0,0|1,0,0]=3 409 B9R1.69 CC1=CC=C(O)C=C1Br SY020683 [2,0,0,0,0,0|2,0,0]=4 410 B9R1.69 CC1=CC=C(O)C=C1O SY110464 [2,0,0,0,0,0|1,0,0]=3 411 B9R1.69 CC1=CN=C(Cl)C(O)=C1 SY105265 [2,0,0,0,0,0|2,0,0]=4 412 B9R1.69 NC1=CC=C(Br)C=C1O SY015267 [2,0,0,0,0,0|2,0,0]=4 413 B9R1.69 NC1=CC=C(F)C=C1O SY013461 [2,0,0,0,0,0|2,0,0]=4 414 B9R1.69 NC1=CC=C(O)C(O)=C1 SY025949 [2,0,0,0,0,0|2,0,0]=4 415 B9R1.69 NC1=CC=C(O)C=C1O SY028098 [2,0,0,0,0,0|2,0,0]=4 416 B9R1.69 OC1=C(Cl)C=CC(Br)=C1 SY023167 [2,0,0,0,0,0|2,0,0]=4 417 B9R1.69 OC1=C(F)C=CC(Cl)=C1 SY014480 [2,0,0,0,0,0|2,0,0]=4 418 B9R1.69 OC1=C(F)C=CC(F)=C1 SY007690 [2,0,0,0,0,0|2,0,0]=4 419 B9R1.69 OC1=C(O)C=C(Br)C=C1 SY007482 [2,0,0,0,0,0|2,0,0]=4 420 B9R1.69 OC1=CC(Br)=CC=C1Br SY020442 [2,0,0,0,0,0|2,0,0]=4 421 B9R1.69 OC1=CC(Br)=CC=C1F SY008148 [2,0,0,0,0,0|2,0,0]=4 422 B9R1.69 OC1=CC(Br)=CC=C1I SY029590 [2,0,0,0,0,0|2,0,0]=4 423 B9R1.69 OC1=CC(Cl)=CC=C1Br SY024323 [2,0,0,0,0,0|2,0,0]=4 424 B9R1.69 OC1=CC(Cl)=CC=C1I SY041422 [2,0,0,0,0,0|2,0,0]=4 425 B9R1.69 OC1=CC(F)=CC=C1Cl SY022945 [2,0,0,0,0,0|2,0,0]=4 426 B9R1.69 OC1=CC(I)=CC=C1Br SY020343 [2,0,0,0,0,0|2,0,0]=4 427 B9R1.69 OC1=CC(I)=CC=C1Cl SY026861 [2,0,0,0,0,0|2,0,0]=4 428 B9R1.69 OC1=CC(O)=C(O)C=C1 SY004215 [2,0,0,0,0,0|2,0,0]=4 429 B9R1.69 OC1=CC=C(Br)C(O)=C1 SY019114 [2,0,0,0,0,0|2,0,0]=4 430 B9R1.69 OC1=CC=C(Cl)C(O)=C1 SY026641 [2,0,0,0,0,0|2,0,0]=4 431 B9R1.69 OC1=CC=C(F)C(O)=C1 SY027081 [2,0,0,0,0,0|2,0,0]=4 432 B9R1.69 OC1=CC=C(F)C=C1O SY024937 [2,0,0,0,0,0|2,0,0]=4 433 B11R1.3 C#CC1=CC=C(N(C)C)C=C1 SY101325 [1,1,0,0,0,0|1,0,1]=4 434 B11R1.3 C=C(C)C1=CC=C(OC)C=C1 SY204715 [1,1,0,0,0,0|0,0,2]=4 435 B11R1.3 C=CC1=CC=C(N(C)C)C=C1 SY019506 [1,1,0,0,0,0|1,0,1]=4 436 B11R1.3 CC(=O)C1=CC=C(CBr)C=C1 SY039033 [1,1,0,0,0,0|1,0,1]=4 437 B11R1.3 CC(C)C1=CC=C(NN)C=C1 SY011417 [1,1,0,0,0,0|1,0,0]=3 438 B11R1.3 CC(C)C1=CC=C(ON)C=C1 SY282101 [1,1,0,0,0,0|1,0,0]=3 439 B11R1.3 CC(C)C1=CC=C(ON)C=C1 SY282102 [1,1,0,0,0,0|1,0,0]=3 440 B11R1.3 CCC1=CC=C(C(C)=O)C=C1 SY049093 [1,1,0,0,0,0|1,0,1]=4 441 B11R1.3 CN(C)C1=CC=C(C#N)C=C1 SY011434 [1,1,0,0,0,0|1,0,1]=4 442 B11R1.3 CN(C)C1=CC=C(CN)C=C1 SY002797 [1,1,0,0,0,0|1,0,0]=3 443 B11R1.3 COC1=CC=C(C(C)N)C=C1 SY003775 [1,1,0,0,0,0|1,0,0]=3 444 B11R1.3 COC1=CC=C(C(C)N)C=C1 SY005337 [1,1,0,0,0,0|1,0,0]=3 445 B11R1.3 COC1=CC=C(C(F)F)C=C1 SY265653 [1,1,0,0,0,0|2,0,0]=4 446 B11R1.3 COC1=CC=C([C@@H](C)N)C=C1 SY020344 [1,1,0,0,0,0|1,0,0]=3 447 B11R1.3 COC1=CC=C([C@@H](C)O)C=C1 SY114791 [1,1,0,0,0,0|1,0,0]=3 448 B11R1.3 COC1=CC=C([C@H](C)N)C=C1 SY030476 [1,1,0,0,0,0|1,0,0]=3 449 B11R1.3 COC1=CC=C([C@H](C)O)C=C1 SY194794 [1,1,0,0,0,0|1,0,0]=3 450 B11R1.3 C[C@@H](N)C1=CC=C(CO)C=C1 SY259141 [1,1,0,0,0,0|1,0,0]=3 451 B11R1.3 C[C@@H](O)C1=CC=C(C#N)C=C1 SY269304 [1,1,0,0,0,0|1,0,1]=4 452 B11R1.19 CC(C)(Br)C1=CC=C(Br)C=C1 SY251002 [1,1,0,0,0,0|1,0,0]=3 453 B11R1.19 CC(C)(C)C1=CC=C(Br)C=C1 SY010478 [1,1,0,0,0,0|1,0,0]=3 454 B11R1.19 CC(C)(C)C1=CC=C(I)C=C1 SY019191 [1,1,0,0,0,0|1,0,0]=3 455 B11R1.19 CC(C)(C)C1=CC=C(N)C=C1 SY004366 [1,1,0,0,0,0|1,0,0]=3 456 B11R1.19 CC(C)(C)C1=NC=C(Br)C=C1 SY128727 [1,1,0,0,0,0|2,0,0]=4 457 B11R1.19 CC(C)(F)C1=CN=C(Br)C=C1 SY128733 [1,1,0,0,0,0|2,0,0]=4 458 B11R1.19 CC(C)(F)C1=NC=C(Br)C=C1 SY128735 [1,1,0,0,0,0|2,0,0]=4 459 B11R1.19 CC(C)(N)C1=CC=C(Br)C=C1 SY038775 [1,1,0,0,0,0|1,0,0]=3 460 B11R1.19 CC(C)(N)C1=CC=C(F)C=C1 SY185215 [1,1,0,0,0,0|1,0,0]=3 461 B11R1.19 CC(C)(O)C1=CC=C(Br)C=C1 SY036029 [1,1,0,0,0,0|1,0,0]=3 462 B11R1.19 CC(C)(O)C1=CC=C(Br)N=C1 SY096815 [1,1,0,0,0,0|2,0,0]=4 463 B11R1.19 CC(C)(O)C1=CC=C(Cl)N=C1 SY146794 [1,1,0,0,0,0|2,0,0]=4 464 B11R1.19 CC(C)(O)C1=CC=C(N)N=C1 SY252867 [1,1,0,0,0,0|2,0,0]=4 465 B11R1.19 CC(C)(O)C1=CC=C(O)C=C1 SY272686 [1,1,0,0,0,0|1,0,0]=3 466 B11R1.19 CC(C)(O)C1=NC=C(Br)C=C1 SY037447 [1,1,0,0,0,0|2,0,0]=4 467 B11R1.19 CC(F)(F)C1=CC=C(Br)C=C1 SY035975 [1,1,0,0,0,0|2,0,0]=4 468 B11R1.19 CC1=CC=C(S(C)(=O)=O)C=C1 SY002922 [1,1,0,0,0,0|2,0,0]=4 469 B11R1.19 CC1=CC=C(S(C)(=O)=O)C=C1 SY009681 [1,1,0,0,0,0|2,0,0]=4 470 B11R1.19 C[Si](C)(C)C1=CC=C(Br)C=C1 SY045941 [1,1,0,0,0,0|1,1,0]=4 471 B11R1.19 C[Si](C)(C)C1=CC=C(Cl)C=C1 SY248710 [1,1,0,0,0,0|1,1,0]=4 472 B11R1.21 CC(=O)C1=CC=C(C)C(C)=C1 SY061591 [1,1,0,0,0,0|1,0,1]=4 473 B11R1.21 CC(=O)C1=CC=C(C)C(N)=C1 SY024093 [1,1,0,0,0,0|1,0,1]=4 474 B11R1.21 CC(C)C1=CC(Br)=C(N)C=C1 SY017092 [1,1,0,0,0,0|1,0,0]=3 475 B11R1.21 CC(O)C1=CC=C(Cl)C(Cl)=C1 SY005064 [1,1,0,0,0,0|2,0,0]=4 476 B11R1.21 CC(O)C1=CC=C(F)C(Br)=C1 SY005066 [1,1,0,0,0,0|2,0,0]=4 477 B11R1.21 CC(O)C1=CC=C(F)C(F)=C1 SY005063 [1,1,0,0,0,0|2,0,0]=4 478 B11R1.21 CC1=CC=C(C(F)F)C=C1Br SY265956 [1,1,0,0,0,0|2,0,0]=4 479 B11R1.21 CC1=CC=C(C(F)F)C=C1C SY265743 [1,1,0,0,0,0|2,0,0]=4 480 B11R1.21 CC1=CC=C(C(F)F)C=C1Cl SY266010 [1,1,0,0,0,0|2,0,0]=4 481 B11R1.21 CC1=CC=C(C(F)F)C=C1F SY265857 [1,1,0,0,0,0|2,0,0]=4 482 B11R1.21 CN(C)C1=CC=C(Br)C(I)=C1 SY288330 [1,1,0,0,0,0|2,0,0]=4 483 B11R1.21 CN(C)C1=CC=C(Br)C(N)=C1 SY288675 [1,1,0,0,0,0|2,0,0]=4 484 B11R1.21 CN(C)C1=CC=C(I)C(Br)=C1 SY288331 [1,1,0,0,0,0|2,0,0]=4 485 B11R1.22 C#CC(O)C1=CC=C(C)C=C1 SY045244 [1,1,0,0,0,0|1,0,1]=4 486 B11R1.22 CC1=CC=C(C(=O)CBr)C=C1 SY022605 [1,1,0,0,0,0|1,0,1]=4 487 B11R1.22 CC1=CC=C(C(=O)CO)C=C1 SY026844 [1,1,0,0,0,0|1,0,1]=4 488 B11R1.22 CCC(=O)C1=CC=C(C)C=C1 SY049111 [1,1,0,0,0,0|1,0,1]=4 489 B11R1.22 NC(CO)C1=CC=C(F)C=C1 SY047985 [1,1,0,0,0,0|2,0,0]=4 490 B11R1.22 NCC(O)C1=CC=C(O)C=C1 SY039785 [1,1,0,0,0,0|2,0,0]=4 491 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 SY121979 [1,1,0,0,0,0|2,0,0]=4 492 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 SY111431 [1,1,0,0,0,0|2,0,0]=4 493 B11R1.22 N[C@H](CO)C1=CC=C(Cl)C=C1 SY212721 [1,1,0,0,0,0|2,0,0]=4 494 B11R1.37 COC1=C(OC)C=C(Br)C=C1 SY004442 [1,1,0,0,0,0|2,0,0]=4 495 B11R1.37 COC1=CC(Br)=CC=C1CO SY066923 [1,1,0,0,0,0|2,0,0]=4 496 B11R1.37 COC1=CC(F)=CC=C1CBr SY035410 [1,1,0,0,0,0|2,0,0]=4 497 B11R1.37 COC1=CC=C(Br)C=C1CO SY034750 [1,1,0,0,0,0|2,0,0]=4 498 B11R1.37 COC1=CC=C(C)C=C1OC SY012769 [1,1,0,0,0,0|1,0,0]=3 499 B11R1.37 COC1=CC=C(Cl)C=C1ON SY282197 [1,1,0,0,0,0|2,0,0]=4 500 B11R1.37 COC1=CC=C(Cl)C=C1ON SY282198 [1,1,0,0,0,0|2,0,0]=4 501 B11R1.37 COC1=CC=C(F)C=C1CO SY025581 [1,1,0,0,0,0|2,0,0]=4 502 B11R1.37 COC1=CC=C(F)C=C1OC SY046523 [1,1,0,0,0,0|2,0,0]=4 503 B11R1.37 COC1=CC=C(O)C=C1OC SY017636 [1,1,0,0,0,0|2,0,0]=4 504 B11R1.37 OCC1=CC=C(Br)C=C1CO SY103444 [1,1,0,0,0,0|2,0,0]=4 505 B11R1.81 CC1=CC(Br)=C(OCCl)C=C1 SY298462 [1,1,0,0,0,0|2,0,0]=4 506 B11R1.81 CC1=CC=C(CON)C(C)=C1 SY281864 [1,1,0,0,0,0|2,0,0]=4 507 B11R1.81 CC1=CC=C(CON)C(C)=C1 SY281865 [1,1,0,0,0,0|2,0,0]=4 508 B11R1.81 CNCC1=CC=C(Cl)C=C1Cl SY002431 [1,1,0,0,0,0|2,0,0]=4 509 B11R1.81 CNCC1=CC=C(Cl)C=C1Cl SY002433 [1,1,0,0,0,0|2,0,0]=4 510 B11R1.81 ClC1=CC=C(CCBr)C(Cl)=C1 SY272654 [1,1,0,0,0,0|2,0,0]=4 511 B11R1.81 FC1=CC(Br)=CC=C1CCBr SY262898 [1,1,0,0,0,0|2,0,0]=4 512 B11R1.81 NCCC1=C(Br)C=C(Br)C=C1 SY024168 [1,1,0,0,0,0|2,0,0]=4 513 B11R1.81 NCCC1=CC=C(Cl)C=C1Br SY026059 [1,1,0,0,0,0|2,0,0]=4 514 B11R1.81 NCCC1=CC=C(Cl)C=C1Cl SY016934 [1,1,0,0,0,0|2,0,0]=4 515 B11R1.81 NCCC1=CC=C(F)C=C1Br SY026084 [1,1,0,0,0,0|2,0,0]=4 516 B11R1.81 NCCC1=CC=C(F)C=C1F SY025989 [1,1,0,0,0,0|2,0,0]=4 517 B11R1.81 OCCC1=CC=C(Cl)C=C1Cl SY021862 [1,1,0,0,0,0|2,0,0]=4 518 B11R1.277 COC1=C(Br)C=C(C)C(N)=C1 SY027059 [1,1,0,0,0,0|2,0,0]=4 519 B11R1.278 CC1=CC=C(CO)C(N)=C1C SY129164 [1,1,0,0,0,0|2,0,0]=4 520 B11R1.279 CCC1=CC=C(C=O)C(O)=C1 SY026477 [1,1,0,0,0,0|1,0,1]=4 521 B11R1.279 COC1=C(Cl)C=C(CN)C=C1 SY019708 [1,1,0,0,0,0|2,0,0]=4 522 B11R1.279 COC1=CC(Br)=C(OC)C=C1 SY017069 [1,1,0,0,0,0|2,0,0]=4 523 B11R1.279 COC1=CC(O)=C(C=O)C=C1 SY012932 [1,1,0,0,0,0|1,0,1]=4 524 B11R1.279 COC1=CC=C(C#N)C=C1O SY005357 [1,1,0,0,0,0|1,0,1]=4 525 B11R1.279 COC1=CC=C(C=O)C=C1O SY001500 [1,1,0,0,0,0|1,0,1]=4 526 B11R1.279 COC1=CC=C(CCl)C=C1C SY045837 [1,1,0,0,0,0|2,0,0]=4 527 B11R1.279 COC1=CC=C(CN)C=C1Br SY028629 [1,1,0,0,0,0|2,0,0]=4 528 B11R1.279 COC1=CC=C(CN)C=C1Cl SY019709 [1,1,0,0,0,0|2,0,0]=4 529 B11R1.279 COC1=CC=C(CO)C(Br)=C1 SY030378 [1,1,0,0,0,0|2,0,0]=4 530 B11R1.279 COC1=CC=C(CO)C(N)=C1 SY129173 [1,1,0,0,0,0|2,0,0]=4 531 B11R1.279 COC1=CC=C(CO)C(O)=C1 SY026391 [1,1,0,0,0,0|1,0,0]=3 532 B11R1.279 COC1=CC=C(CO)C=C1Br SY030170 [1,1,0,0,0,0|2,0,0]=4 533 B11R1.279 COC1=CC=C(CO)C=C1O SY006442 [1,1,0,0,0,0|1,0,0]=3 534 B11R1.279 COC1=CC=C(OC)C(F)=C1 SY011252 [1,1,0,0,0,0|2,0,0]=4 535 B11R1.279 COC1=CC=C(OC)C(O)=C1 SY035119 [1,1,0,0,0,0|1,0,0]=3 536 B11R1.53 CC(C)C1=CC=CC=C1C=O SY109589 [1,1,0,0,0,0|0,0,1]=3 537 B11R1.53 CC(C)C1=CC=CC=C1ON SY282339 [1,1,0,0,0,0|0,0,0]=2 538 B11R1.53 CC(C)C1=CC=CC=C1ON SY282340 [1,1,0,0,0,0|0,0,0]=2 539 B11R1.53 CN(C)C1=C(C#N)C=CC=C1 SY021589 [1,1,0,0,0,0|2,0,0]=4 540 B11R1.53 COC1=CC=CC=C1C(C)=O SY036008 [1,1,0,0,0,0|1,0,1]=4 541 B11R1.53 COC1=CC=CC=C1C(C)N SY026500 [1,1,0,0,0,0|1,0,0]=3 542 B11R1.53 COC1=CC=CC=C1C(C)O SY011446 [1,1,0,0,0,0|1,0,0]=3 543 B11R1.53 COC1=CC=CC=C1C(F)F SY265634 [1,1,0,0,0,0|2,0,0]=4 544 B11R1.53 COC1=NC=CC=C1C(C)N SY249589 [1,1,0,0,0,0|2,0,0]=4 545 B11R1.87 CC(C)(C)C1=CC=CC=C1N SY014888 [1,1,0,0,0,0|1,0,0]=3 546 B11R1.87 CC(C)(C)C1=NC=CC=C1O SY146834 [1,1,0,0,0,0|1,0,0]=3 547 B11R1.87 CC(C)(O)C1=C(Cl)C=NC=C1 SY023924 [1,1,0,0,0,0|2,0,0]=4 548 B11R1.87 CC(C)(O)C1=CC=CC=C1Br SY040106 [1,1,0,0,0,0|1,0,0]=3 549 B11R1.87 CC(C)(O)C1=CC=CC=C1I SY130153 [1,1,0,0,0,0|1,0,0]=3 550 B11R1.87 CC(F)(F)C1=CC=CC=C1F SY285489 [1,1,0,0,0,0|2,0,0]=4 551 B11R1.87 CP(C)(=O)C1=CC=CC=C1N SY033213 [1,1,0,0,0,0|2,0,0]=4 552 B11R1.87 C[Si](C)(C)C1=CC=CC=C1F SY022241 [1,1,0,0,0,0|1,1,0]=4 553 B11R1.156 CC(=O)C1=C(C)C=CC=C1O SY031337 [1,1,0,0,0,0|1,0,1]=4 554 B11R1.156 CC(=O)C1=C(O)C=CC=C1Br SY038184 [1,1,0,0,0,0|1,0,1]=4 555 B11R1.156 CC(=O)C1=C(O)C=CC=C1F SY031353 [1,1,0,0,0,0|1,0,1]=4 556 B11R1.156 CC(=O)C1=C(O)C=CC=C1O SY001633 [1,1,0,0,0,0|1,0,1]=4 557 B11R1.156 CC(N)C1=C(F)C=CC=C1F SY012022 [1,1,0,0,0,0|2,0,0]=4 558 B11R1.156 CC(O)C1=C(Cl)C=CC=C1Cl SY004560 [1,1,0,0,0,0|2,0,0]=4 559 B11R1.156 CC(O)C1=C(F)C=CC=C1F SY004636 [1,1,0,0,0,0|2,0,0]=4 560 B11R1.159 CC(=O)C1=C(O)C(F)=CC=C1 SY008708 [1,1,0,0,0,0|1,0,1]=4 561 B11R1.159 CC(=O)C1=CC=CC(Br)=C1O SY029325 [1,1,0,0,0,0|1,0,1]=4 562 B11R1.159 CC(=O)C1=CC=CC(C)=C1O SY102951 [1,1,0,0,0,0|1,0,1]=4 563 B11R1.159 CC(=O)C1=CC=CC(Cl)=C1O SY045761 [1,1,0,0,0,0|1,0,1]=4 564 B11R1.159 CC(=O)C1=CC=CC(N)=C1O SY022839 [1,1,0,0,0,0|1,0,1]=4 565 B11R1.159 CC(O)C1=CC=CC(F)=C1F SY014337 [1,1,0,0,0,0|2,0,0]=4 566 B11R1.159 CC1=C(N)C(C(C)C)=CC=C1 SY058775 [1,1,0,0,0,0|1,0,0]=3 567 B11R1.159 CC1=C(N)C(C(C)C)=NC=C1 SY251570 [1,1,0,0,0,0|2,0,0]=4 568 B11R1.167 CC(=O)C1=C(O)C=CC(O)=C1 SY011591 [1,1,0,0,0,0|1,0,1]=4 569 B11R1.167 CC(=O)C1=CC(Br)=CC=C1O SY018236 [1,1,0,0,0,0|1,0,1]=4 570 B11R1.167 CC(=O)C1=CC(C)=CC=C1O SY048474 [1,1,0,0,0,0|1,0,1]=4 571 B11R1.167 CC(=O)C1=CC(F)=CC=C1O SY002859 [1,1,0,0,0,0|1,0,1]=4 572 B11R1.167 CC(C)C1=CC(O)=CC=C1I SY276965 [1,1,0,0,0,0|1,0,0]=3 573 B11R1.167 CC(O)C1=C(Cl)C=CC(Cl)=C1 SY005061 [1,1,0,0,0,0|2,0,0]=4 574 B11R1.167 CC(O)C1=C(O)C=CC(F)=C1 SY005060 [1,1,0,0,0,0|1,0,0]=3 575 B11R1.167 CN(C)C1=CC(Br)=CC=C1F SY059771 [1,1,0,0,0,0|2,0,0]=4 576 B11R1.222 C#CC(O)C1=CC=CC=C1O SY045252 [1,1,0,0,0,0|1,0,1]=4 577 B11R1.222 CC(C#N)C1=CC=CC=C1Cl SY035560 [1,1,0,0,0,0|1,0,1]=4 578 B11R1.222 CCC(=O)C1=C(O)C=CC=C1 SY015244 [1,1,0,0,0,0|1,0,1]=4 579 B11R1.222 CNC(=O)C1=CC=CC=C1O SY034205 [1,1,0,0,0,0|1,0,1]=4 580 B11R1.222 COC(=O)C1=C(O)C=CC=C1 SY008800 [1,1,0,0,0,0|1,0,1]=4 581 B11R1.222 NCC(O)C1=CC=CC=C1Cl SY034840 [1,1,0,0,0,0|2,0,0]=4 582 B11R1.222 NCC(O)C1=CC=CC=C1Cl SY034841 [1,1,0,0,0,0|2,0,0]=4 583 B11R1.222 OC[C@@H](O)C1=CC=CC=C1Cl SY033747 [1,1,0,0,0,0|2,0,0]=4 584 B13R1.163 CC(C)C(=O)C1=CC=C(Br)C=C1F SY039904 [0,1,0,0,0,1|2,0,0]=4 585 B13R1.163 CC(C)C(O)C1=CC=C(Br)C=C1F SY039903 [0,1,0,0,0,1|2,0,0]=4 586 B13R1.883 CC(C)(C)OC1=CC=C(Br)C=C1F SY298939 [0,1,0,0,0,1|2,0,0]=4 587 B13R1.883 CC(C)(C)OC1=CC=C(Cl)C=C1F SY298787 [0,1,0,0,0,1|2,0,0]=4 588 B13R1.883 CC(C)(C)OC1=CC=C(Cl)C=C1I SY298911 [0,1,0,0,0,1|2,0,0]=4 589 B13R1.883 CC(C)(C)OC1=CC=C(F)C=C1Cl SY298872 [0,1,0,0,0,1|2,0,0]=4 590 B13R1.883 CC(C)(C)OC1=CC=C(F)C=C1I SY298920 [0,1,0,0,0,1|2,0,0]=4 591 B13R1.883 CC1=C(OC(C)(C)C)C=CC(Cl)=C1 SY298709 [0,1,0,0,0,1|2,0,0]=4 592 B13R1.883 CC1=CC(Br)=CC=C1OC(C)(C)C SY298950 [0,1,0,0,0,1|2,0,0]=4 593 B13R1.883 CC1=CC(F)=CC=C1OC(C)(C)C SY298962 [0,1,0,0,0,1|2,0,0]=4 594 B13R1.883 CC1=CC=C(OC(C)(C)C)C(Br)=C1 SY298896 [0,1,0,0,0,1|1,0,0]=3 595 B13R1.883 CC1=CC=C(OC(C)(C)C)C(Cl)=C1 SY298734 [0,1,0,0,0,1|1,0,0]=3 596 B13R1.883 CC1=CC=C(OC(C)(C)C)C(F)=C1 SY298895 [0,1,0,0,0,1|1,0,0]=3 597 B13R1.883 CC1=CC=C(OC(C)(C)C)C(I)=C1 SY298980 [0,1,0,0,0,1|1,0,0]=3 598 B13R1.99 COC1=CC(OC)=C(C(C)=O)C=C1 SY015389 [0,2,0,0,0,0|1,0,1]=4 599 B13R1.99 COC1=CC=C(C(F)F)C(OC)=C1 SY265793 [0,2,0,0,0,0|2,0,0]=4 600 B13R1.165 CC(C)C1=CC=C(N)C=C1C(C)C SY293398 [0,2,0,0,0,0|2,0,0]=4 601 B13R1.356 CC1=CC(OCCl)=C(C(C)C)C=C1 SY298347 [0,2,0,0,0,0|0,0,0]=2 602 B13R1.2065 COC(=O)C1=CC=C(C)C=C1OC SY063984 [0,2,0,0,0,0|1,0,1]=4 603 B13R1.877 CC(C)(O)C1=CC(F)=C(Cl)C=C1N SY300679 [0,2,0,0,0,0|2,0,0]=4 604 B13R1.877 CC1=CC(F)=C(C(C)(F)F)C=C1N SY284983 [0,2,0,0,0,0|2,0,0]=4 605 B13R1.2809 CC(C)(C)C1=C(F)C=C(O)C=C1F SY028911 [0,2,0,0,0,0|2,0,0]=4 606 B13R1.95 COC(=O)C1=C(O)C=C(OC)C=C1 SY008082 [0,2,0,0,0,0|1,0,1]=4 607 B13R1.428 COC1=CC(O)=C(C(C)=O)C(O)=C1 SY288282 [0,2,0,0,0,0|1,0,1]=4 608 B11R2.34 BrC1=CC=C(C2CC2)C=C1 SY032748 [1,0,0,1,0,0|1,0,0]=3 609 B11R2.34 CC1=CC=C(C2CC2)C=C1 SY263866 [1,0,0,1,0,0|0,0,0]=2 610 B11R2.34 ClC1=CC=C(C2CC2)C=C1 SY263837 [1,0,0,1,0,0|1,0,0]=3 611 B11R2.34 FC1=CC=C(C2CC2)C=C1 SY263851 [1,0,0,1,0,0|1,0,0]=3 612 B11R2.34 FC1=CN=C(C2CC2)C=C1 SY203733 [1,0,0,1,0,0|2,0,0]=4 613 B11R2.34 NC1=CC=C(C2CC2)C=C1 SY114519 [1,0,0,1,0,0|1,0,0]=3 614 B11R2.36 BrC1=CC2=C(C=C1)CCC2 SY040210 [1,0,0,1,0,0|2,0,0]=4 615 B11R2.36 BrC1=CC2=C(C=C1)CCN2 SY066259 [1,0,0,1,0,0|2,0,0]=4 616 B11R2.36 BrC1=CC=C2CCOC2=C1 SY026135 [1,0,0,1,0,0|1,0,0]=3 617 B11R2.36 BrC1=CC=C2OCOC2=C1 SY008883 [1,0,0,1,0,0|2,0,0]=4 618 B11R2.36 CC1=CC=C2N=COC2=C1 SY036502 [1,0,0,1,0,0|1,0,1]=4 619 B11R2.36 ClC1=CC2=C(C=C1)CCN2 SY019160 [1,0,0,1,0,0|2,0,0]=4 620 B11R2.36 FC1=CC2=C(C=C1)CCN2 SY107270 [1,0,0,1,0,0|2,0,0]=4 621 B11R2.36 FC1=CC=C2OCOC2=C1 SY059734 [1,0,0,1,0,0|2,0,0]=4 622 B11R2.36 NC1=CC=C2OCOC2=C1 SY001508 [1,0,0,1,0,0|2,0,0]=4 623 B11R2.36 OC1=CC2=C(C=C1)OCO2 SY015819 [1,0,0,1,0,0|2,0,0]=4 624 B11R2.1 CC1=COC2=CC=CC=C12 SY028461 [1,0,0,1,0,0|0,0,2]=4 625 B11R2.1 CC1CNC2=C1C=CC=C2 SY178552 [1,0,0,1,0,0|1,0,0]=3 626 B11R2.1 CN1CNC2=CC=CC=C21 SY289611 [1,0,0,1,0,0|2,0,0]=4 627 B11R2.1 NC1CCC2=C1C=CC=C2 SY004953 [1,0,0,1,0,0|2,0,0]=4 628 B11R2.1 NC1CCC2=CC=CC=C21 SY004234 [1,0,0,1,0,0|2,0,0]=4 629 B11R2.1 NC1COC2=CC=CC=C21 SY283285 [1,0,0,1,0,0|1,0,0]=3 630 B11R2.1 N[C@@H]1CCC2=C1C=CC=C2 SY030463 [1,0,0,1,0,0|2,0,0]=4 631 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 SY028017 [1,0,0,1,0,0|2,0,0]=4 632 B11R2.1 O=C1COC2=C1C=CC=C2 SY011530 [1,0,0,1,0,0|1,0,1]=4 633 B11R2.1 OC1CCC2=C1C=CC=C2 SY014889 [1,0,0,1,0,0|2,0,0]=4 634 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 SY275070 [1,0,0,1,0,0|2,0,0]=4 635 B11R2.55 BrC1=CC=CC=C1C2CC2 SY024558 [1,0,0,1,0,0|1,0,0]=3 636 B11R2.55 BrC1=CC=CN=C1C2CC2 SY041201 [1,0,0,1,0,0|2,0,0]=4 637 B11R2.55 CC1=CC=CC=C1C2CC2 SY263839 [1,0,0,1,0,0|1,0,0]=3 638 B11R2.55 CC1=CC=CN=C1C2CC2 SY264189 [1,0,0,1,0,0|2,0,0]=4 639 B11R2.55 NC1=CC=CC=C1C2CC2 SY249445 [1,0,0,1,0,0|1,0,0]=3 640 B13R2.3683 CC1=CC=C2NC(=O)COC2=C1 SY130720 [0,0,0,1,0,1|1,0,1]=4 641 B13R2.2082 CC1=CC=C(C2CC2)C(C#N)=C1 SY264046 [0,1,0,1,0,0|1,0,0]=3 642 B13R2.2082 COC1=CC(Cl)=CC=C1C2CC2 SY264043 [0,1,0,1,0,0|1,0,0]=3 643 B13R2.2082 COC1=CC(F)=CC=C1C2CC2 SY263963 [0,1,0,1,0,0|1,0,0]=3 644 B13R2.2082 COC1=CC(N)=CC=C1C2CC2 SY264127 [0,1,0,1,0,0|1,0,0]=3 645 B13R2.2082 N#CC1=CC(Cl)=CC=C1C2CC2 SY264052 [0,1,0,1,0,0|2,0,0]=4 646 B13R2.2082 N#CC1=CC(F)=CC=C1C2CC2 SY263981 [0,1,0,1,0,0|2,0,0]=4 647 B13R2.3108 CC1(C)CNC2=C1C=CC(N)=C2 SY252755 [0,1,0,1,0,0|2,0,0]=4 648 B13R2.5179 NC1CCOC2=C1C=CC(Br)=C2 SY251620 [0,1,0,1,0,0|2,0,0]=4 649 B13R2.5179 NC1COCC2=CC(Br)=CC=C21 SY257848 [0,1,0,1,0,0|2,0,0]=4 650 B13R2.5179 OC1COCC2=C1C=CC(Br)=C2 SY300524 [0,1,0,1,0,0|2,0,0]=4 651 B13R2.3125 NC1(C2=C(Br)C=C(F)C=C2)CC1 SY226178 [0,1,0,1,0,0|2,0,0]=4 652 B13R2.3125 NC1(C2=CC=C(Br)C=C2F)CC1 SY225705 [0,1,0,1,0,0|2,0,0]=4 653 B13R2.3125 NC1(C2=CC=C(Cl)C=C2Cl)CC1 SY225749 [0,1,0,1,0,0|2,0,0]=4 654 B13R2.3125 NC1(C2=CC=C(F)C=C2Cl)CC1 SY226145 [0,1,0,1,0,0|2,0,0]=4 655 B13R2.3125 NC1(C2=CC=C(F)C=C2F)CC1 SY003487 [0,1,0,1,0,0|2,0,0]=4 656 B13R2.3125 NC1(C2=CC=C(F)C=C2F)CC1 SY226634 [0,1,0,1,0,0|2,0,0]=4 657 B13R2.5391 CC1=CC(F)=C(C2CC2)C=C1N SY263989 [0,1,0,1,0,0|1,0,0]=3 658 B13R2.5391 ClC1=CC(Cl)=C(C2CC2)C=C1Cl SY264101 [0,1,0,1,0,0|2,0,0]=4 659 B13R2.5391 FC1=CC(F)=C(C2CC2)C=C1F SY263889 [0,1,0,1,0,0|2,0,0]=4 660 B13R2.2130 COC1=CC=C2C(=C1)ON=C2C SY298819 [0,1,0,1,0,0|1,0,1]=4 661 B13R2.2130 COC1=CC=C2C(=O)COC2=C1 SY045661 [0,1,0,1,0,0|1,0,1]=4 662 B13R2.2170 COC1=CC=C(C2CC2)C(C)=C1 SY263903 [0,1,0,1,0,0|1,0,0]=3 663 B13R2.2170 COC1=CC=C(C2CC2)C(F)=C1 SY264040 [0,1,0,1,0,0|1,0,0]=3 664 B13R2.2170 COC1=CC=C(C2CC2)C(N)=C1 SY263961 [0,1,0,1,0,0|1,0,0]=3 665 B13R2.2170 N#CC1=CC=C(C2CC2)C(F)=C1 SY264032 [0,1,0,1,0,0|1,0,1]=4 666 B13R2.5398 FC1=CC=C(C2CC2)C(F)=C1F SY264006 [0,1,0,1,0,0|2,0,0]=4 667 B13R2.11034 OC1=CC(F)=C(C2CC2)C(Br)=C1 SY289800 [0,1,0,1,0,0|2,0,0]=4 668 B13R2.11642 CC1=CC(O)=C2C(=C1)ON=C2C SY298815 [0,1,0,1,0,0|1,0,1]=4 669 B13R2.13518 CC1=CC=C(C2CNC2)C(C)=C1 SY267251 [0,1,0,1,0,0|1,0,0]=3 670 B13R2.13518 CC1=CC=C(C2CNC2)C(C)=C1 SY267252 [0,1,0,1,0,0|1,0,0]=3 671 B13R2.13518 FC1=CC=C(C2CNC2)C(F)=C1 SY267249 [0,1,0,1,0,0|2,0,0]=4 672 B13R2.13518 FC1=CC=C(C2CNC2)C(F)=C1 SY267250 [0,1,0,1,0,0|2,0,0]=4 673 B9R1.35 CC1=CSC(C(C)C)=N1 SY048499 [1,0,0,0,1,0|2,0,0]=4 674 B11R1.20 CC(=O)CC1=CC=C(C)C=C1 SY042746 [1,0,0,0,0,1|1,0,1]=4 675 B11R1.20 CC(=O)NC1=CC=C(C)C=C1 SY035719 [1,0,0,0,0,1|1,0,1]=4 676 B11R1.20 CC(C)CC1=CC=C(N)C=C1 SY035752 [1,0,0,0,0,1|1,0,0]=3 677 B11R1.20 CC(C)NC1=CC=C(Cl)C=C1 SY262875 [1,0,0,0,0,1|1,0,0]=3 678 B11R1.20 CC(C)OC1=CC=C(N)C=C1 SY050495 [1,0,0,0,0,1|1,0,0]=3 679 B11R1.20 CC(C)OC1=CN=C(Br)C=C1 SY225423 [1,0,0,0,0,1|2,0,0]=4 680 B11R1.20 CC(C)OC1=NC=C(Br)C=C1 SY110382 [1,0,0,0,0,1|2,0,0]=4 681 B11R1.20 CC(C)SC1=CC=C(Cl)C=C1 SY293233 [1,0,0,0,0,1|1,0,0]=3 682 B11R1.20 CN(C)CC1=CC=C(N)C=C1 SY003571 [1,0,0,0,0,1|2,0,0]=4 683 B11R1.86 CC(=O)NC1=C(O)C=CC=C1 SY004721 [1,0,0,0,0,1|1,0,1]=4 684 B11R1.86 CC(C)CC1=CC=CC=C1N SY036357 [1,0,0,0,0,1|1,0,0]=3 685 B11R1.86 CC(C)NC1=CC=CC=C1S SY232861 [1,0,0,0,0,1|0,1,0]=3 686 B11R1.86 CC(C)OC1=CC=CC=C1N SY006071 [1,0,0,0,0,1|1,0,0]=3 687 B11R1.86 CC(C)OC1=CC=CC=C1O SY062038 [1,0,0,0,0,1|0,0,0]=2 688 B11R1.86 CC(C)OC1=NC=CC=C1Br SY077021 [1,0,0,0,0,1|2,0,0]=4 689 B11R1.86 CC(C)SC1=CC=CC=C1N SY123012 [1,0,0,0,0,1|1,0,0]=3