0 B10R1.10 CC1=CC=CC(CCO)=N1 25853 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.10 CCCC1=NC(Cl)=NC=C1 9829 [0,0,0,0,0,0|3,1,0]=4 2 B10R1.10 CCOC1=CC(Br)=CC=C1 3137 [0,0,0,0,0,0|2,1,0]=3 3 B10R1.10 CCOC1=CC(Br)=CN=C1 14409 [0,0,0,0,0,0|3,1,0]=4 4 B10R1.10 CCOC1=CC(C)=CC=C1 3180 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.10 CCOC1=CC(Cl)=CC=C1 3162 [0,0,0,0,0,0|2,1,0]=3 6 B10R1.10 CCOC1=CC(F)=CC=C1 3174 [0,0,0,0,0,0|2,0,0]=2 7 B10R1.10 CCOC1=CC(F)=NC=C1 6672 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.10 CCOC1=CC(I)=CC=C1 3241 [0,0,0,0,0,0|2,1,0]=3 9 B10R1.10 CCOC1=CC(N)=CC=C1 9507 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.10 CCOC1=CC(N)=NC=C1 5698 [0,0,0,0,0,0|4,0,0]=4 11 B10R1.10 CCOC1=CC=CC(Br)=N1 5971 [0,0,0,0,0,0|3,1,0]=4 12 B10R1.10 CCOC1=CC=CC(O)=C1 9510 [0,0,0,0,0,0|3,0,0]=3 13 B10R1.10 CCOC1=CC=CC(S)=C1 6826 [0,0,0,0,0,0|3,0,0]=3 14 B10R1.10 CCOC1=CN=CC(Cl)=C1 6619 [0,0,0,0,0,0|3,1,0]=4 15 B10R1.10 CCOC1=NC=CC(Br)=C1 22048 [0,0,0,0,0,0|3,1,0]=4 16 B10R1.10 CCOC1=NC=CC(Cl)=C1 22039 [0,0,0,0,0,0|3,1,0]=4 17 B10R1.10 CCOC1=NC=CC(N)=C1 6647 [0,0,0,0,0,0|4,0,0]=4 18 B10R1.10 CNCC1=CC(Br)=CC=C1 23425 [0,0,0,0,0,0|2,1,0]=3 19 B10R1.10 COCC1=CC=CC(F)=C1 24279 [0,0,0,0,0,0|2,0,0]=2 20 B10R1.10 COCC1=CN=CC(Br)=C1 22088 [0,0,0,0,0,0|3,1,0]=4 21 B10R1.10 FC1=CC=CC(CCBr)=C1 4671 [0,0,0,0,0,0|1,0,0]=1 22 B10R1.10 FC1=CC=CC(N=C=S)=C1 5007 [0,0,0,0,0,0|2,0,1]=3 23 B10R1.10 N#CCC1=CC(Br)=CC=C1 4240 [0,0,0,0,0,0|0,1,2]=3 24 B10R1.10 N#CCC1=CC(Cl)=CC=C1 16504 [0,0,0,0,0,0|0,1,2]=3 25 B10R1.10 N#CCC1=CC(F)=CC=C1 4168 [0,0,0,0,0,0|0,0,2]=2 26 B10R1.10 N#CCC1=CC(I)=CC=C1 12771 [0,0,0,0,0,0|0,1,2]=3 27 B10R1.10 N#CCC1=CC(N)=CC=C1 1960 [0,0,0,0,0,0|1,0,2]=3 28 B10R1.10 NC1=CC=CC(CCO)=C1 27351 [0,0,0,0,0,0|2,0,0]=2 29 B10R1.10 NCCC1=CC(Br)=CC=C1 17194 [0,0,0,0,0,0|0,1,0]=1 30 B10R1.10 NCCC1=CC(Br)=CC=C1 23432 [0,0,0,0,0,0|0,1,0]=1 31 B10R1.10 NCCC1=CC(F)=CC=C1 13958 [0,0,0,0,0,0|0,0,0]=0 32 B10R1.10 NCCC1=CC(N)=CC=C1 5799 [0,0,0,0,0,0|1,0,0]=1 33 B10R1.10 NCCC1=CC(O)=CC=C1 21937 [0,0,0,0,0,0|1,0,0]=1 34 B10R1.10 NCCC1=CC=CC(N)=C1 11375 [0,0,0,0,0,0|1,0,0]=1 35 B10R1.10 NNCC1=CC(O)=CC=C1 14770 [0,0,0,0,0,0|2,0,0]=2 36 B10R1.10 O=C=NC1=CC(F)=CC=C1 4995 [0,0,0,0,0,0|2,0,1]=3 37 B10R1.10 OC1=CC(\C=C\Br)=CC=C1 31891 [0,0,0,0,0,0|2,0,2]=4 38 B10R1.10 OCCC1=CC(Br)=CC=C1 14821 [0,0,0,0,0,0|1,1,0]=2 39 B10R1.10 OCCC1=CC(F)=CC=C1 28824 [0,0,0,0,0,0|1,0,0]=1 40 B10R1.10 O\N=C\C1=CC(Br)=CC=C1 3732 [0,0,0,0,0,0|2,1,1]=4 41 B9R1.2 BrCC1=CC(Br)=CC=C1 3029 [1,0,0,0,0,0|1,1,0]=3 42 B9R1.2 BrCC1=CC(I)=CC=C1 28805 [1,0,0,0,0,0|1,1,0]=3 43 B9R1.2 C#CC1=CC(F)=CC=C1 12891 [1,0,0,0,0,0|0,0,2]=3 44 B9R1.2 C#CC1=CC(N)=CC=C1 30297 [1,0,0,0,0,0|1,0,2]=4 45 B9R1.2 C#CC1=CC(N)=CC=C1 4052 [1,0,0,0,0,0|1,0,2]=4 46 B9R1.2 C#CC1=CC=CC(Br)=C1 19784 [1,0,0,0,0,0|0,1,2]=4 47 B9R1.2 C#CC1=CC=CC(Cl)=C1 14083 [1,0,0,0,0,0|0,1,2]=4 48 B9R1.2 C=CC1=CC(Br)=CC=C1 23859 [1,0,0,0,0,0|0,1,2]=4 49 B9R1.2 CC1=CC(C=O)=CC=C1 15513 [1,0,0,0,0,0|2,0,1]=4 50 B9R1.2 CC1=CC=CC(CBr)=N1 22577 [1,0,0,0,0,0|3,0,0]=4 51 B9R1.2 CC1=CC=CC(CCl)=N1 22531 [1,0,0,0,0,0|3,0,0]=4 52 B9R1.2 CC1=CC=CC(CCl)=N1 22536 [1,0,0,0,0,0|3,0,0]=4 53 B9R1.2 CC1=CC=CC(CF)=C1 28809 [1,0,0,0,0,0|2,0,0]=3 54 B9R1.2 CC1=CC=CC(CN)=C1 10198 [1,0,0,0,0,0|1,0,0]=2 55 B9R1.2 CC1=CC=CC(CN)=N1 19465 [1,0,0,0,0,0|2,0,0]=3 56 B9R1.2 CC1=CC=CC(CO)=N1 20959 [1,0,0,0,0,0|3,0,0]=4 57 B9R1.2 CC1=CC=CC(NN)=C1 6397 [1,0,0,0,0,0|2,0,0]=3 58 B9R1.2 CC1=CN=CC(CO)=C1 22640 [1,0,0,0,0,0|3,0,0]=4 59 B9R1.2 CC1=NC=CC(CN)=C1 34737 [1,0,0,0,0,0|2,0,0]=3 60 B9R1.2 CCC1=CC(Cl)=NC=N1 22620 [1,0,0,0,0,0|2,1,0]=4 61 B9R1.2 CCC1=CC(N)=NC=C1 7108 [1,0,0,0,0,0|2,0,0]=3 62 B9R1.2 CCC1=CC(O)=NC=N1 23619 [1,0,0,0,0,0|3,0,0]=4 63 B9R1.2 CCC1=CC=CC(Br)=C1 3771 [1,0,0,0,0,0|0,1,0]=2 64 B9R1.2 CCC1=CC=CC(N)=C1 13534 [1,0,0,0,0,0|1,0,0]=2 65 B9R1.2 CCC1=CC=CC(O)=C1 10772 [1,0,0,0,0,0|1,0,0]=2 66 B9R1.2 CCC1=NC=CC(Br)=C1 22128 [1,0,0,0,0,0|1,1,0]=3 67 B9R1.2 CNC1=CC(Br)=CN=C1 34590 [1,0,0,0,0,0|2,1,0]=4 68 B9R1.2 CNC1=CC(Br)=NC=C1 33713 [1,0,0,0,0,0|2,1,0]=4 69 B9R1.2 CNC1=CC(Cl)=CC=C1 9202 [1,0,0,0,0,0|1,1,0]=3 70 B9R1.2 CNC1=CC(F)=CC=C1 24835 [1,0,0,0,0,0|1,0,0]=2 71 B9R1.2 CNC1=CC=CC(O)=C1 27611 [1,0,0,0,0,0|2,0,0]=3 72 B9R1.2 CNC1=NC=CC(Br)=C1 32483 [1,0,0,0,0,0|2,1,0]=4 73 B9R1.2 COC1=CC(Br)=CC=C1 13575 [1,0,0,0,0,0|1,1,0]=3 74 B9R1.2 COC1=CC(Br)=NC=C1 5957 [1,0,0,0,0,0|2,1,0]=4 75 B9R1.2 COC1=CC(Cl)=CC=C1 3615 [1,0,0,0,0,0|1,1,0]=3 76 B9R1.2 COC1=CC(Cl)=NC=C1 6204 [1,0,0,0,0,0|2,1,0]=4 77 B9R1.2 COC1=CC(F)=CC=C1 3474 [1,0,0,0,0,0|1,0,0]=2 78 B9R1.2 COC1=CC(F)=NC=C1 34821 [1,0,0,0,0,0|2,0,0]=3 79 B9R1.2 COC1=CC(I)=CC=C1 3904 [1,0,0,0,0,0|1,1,0]=3 80 B9R1.2 COC1=CC(N)=NC=C1 16566 [1,0,0,0,0,0|3,0,0]=4 81 B9R1.2 COC1=CC(N)=NC=C1 5700 [1,0,0,0,0,0|3,0,0]=4 82 B9R1.2 COC1=CC(O)=CC=C1 13577 [1,0,0,0,0,0|2,0,0]=3 83 B9R1.2 COC1=CC=CC(Br)=N1 9206 [1,0,0,0,0,0|2,1,0]=4 84 B9R1.2 COC1=CC=CC(Cl)=N1 13194 [1,0,0,0,0,0|2,1,0]=4 85 B9R1.2 COC1=CC=CC(I)=N1 9288 [1,0,0,0,0,0|2,1,0]=4 86 B9R1.2 COC1=CC=CC(N)=C1 8374 [1,0,0,0,0,0|2,0,0]=3 87 B9R1.2 COC1=CC=CC(N)=N1 12919 [1,0,0,0,0,0|3,0,0]=4 88 B9R1.2 COC1=CC=CC(S)=C1 6817 [1,0,0,0,0,0|2,0,0]=3 89 B9R1.2 COC1=CN=CC(Br)=C1 5085 [1,0,0,0,0,0|2,1,0]=4 90 B9R1.2 COC1=CN=CC(I)=C1 16704 [1,0,0,0,0,0|2,1,0]=4 91 B9R1.2 COC1=CN=CC(N)=C1 22353 [1,0,0,0,0,0|3,0,0]=4 92 B9R1.2 COC1=CN=CC(O)=C1 27157 [1,0,0,0,0,0|3,0,0]=4 93 B9R1.2 COC1=NC=CC(Br)=C1 6657 [1,0,0,0,0,0|2,1,0]=4 94 B9R1.2 COC1=NC=CC(C)=C1 6598 [1,0,0,0,0,0|3,0,0]=4 95 B9R1.2 COC1=NC=CC(Cl)=C1 15650 [1,0,0,0,0,0|2,1,0]=4 96 B9R1.2 COC1=NC=CC(Cl)=C1 6663 [1,0,0,0,0,0|2,1,0]=4 97 B9R1.2 COC1=NC=CC(F)=C1 6596 [1,0,0,0,0,0|2,0,0]=3 98 B9R1.2 COC1=NC=CC(I)=C1 17128 [1,0,0,0,0,0|2,1,0]=4 99 B9R1.2 COC1=NC=CC(N)=C1 32235 [1,0,0,0,0,0|3,0,0]=4 100 B9R1.2 COC1=NC=CC(N)=C1 6595 [1,0,0,0,0,0|3,0,0]=4 101 B9R1.2 COC1=NC=CC(O)=C1 35149 [1,0,0,0,0,0|3,0,0]=4 102 B9R1.2 CSC1=CC(Br)=CC=C1 10649 [1,0,0,0,0,0|1,1,0]=3 103 B9R1.2 CSC1=CC(C)=CC=C1 10793 [1,0,0,0,0,0|2,0,0]=3 104 B9R1.2 CSC1=CC(Cl)=CC=C1 10644 [1,0,0,0,0,0|1,1,0]=3 105 B9R1.2 CSC1=CC(F)=CC=C1 10640 [1,0,0,0,0,0|1,0,0]=2 106 B9R1.2 CSC1=CC(I)=CC=C1 10669 [1,0,0,0,0,0|1,1,0]=3 107 B9R1.2 CSC1=CC(N)=CC=C1 10635 [1,0,0,0,0,0|2,0,0]=3 108 B9R1.2 CSC1=CC=CC(Br)=N1 27610 [1,0,0,0,0,0|2,1,0]=4 109 B9R1.2 ClC1=CC=CC(CBr)=C1 10765 [1,0,0,0,0,0|1,1,0]=3 110 B9R1.2 ClCC1=CC(Br)=CC=C1 23319 [1,0,0,0,0,0|1,1,0]=3 111 B9R1.2 ClCC1=CC(Cl)=CC=C1 7520 [1,0,0,0,0,0|1,1,0]=3 112 B9R1.2 ClCC1=CC(I)=CC=C1 31286 [1,0,0,0,0,0|1,1,0]=3 113 B9R1.2 ClCC1=CC(I)=CN=C1 27044 [1,0,0,0,0,0|2,1,0]=4 114 B9R1.2 ClCC1=CN=CC(Br)=C1 26331 [1,0,0,0,0,0|2,1,0]=4 115 B9R1.2 FC1=CC=CC(CBr)=C1 10214 [1,0,0,0,0,0|1,0,0]=2 116 B9R1.2 FC1=CC=CC(CCl)=C1 7516 [1,0,0,0,0,0|1,0,0]=2 117 B9R1.2 N#CC1=CC(Br)=CC=C1 1584 [1,0,0,0,0,0|0,1,2]=4 118 B9R1.2 N#CC1=CC(Cl)=CC=C1 3624 [1,0,0,0,0,0|0,1,2]=4 119 B9R1.2 N#CC1=CC(F)=CC=C1 1579 [1,0,0,0,0,0|0,0,2]=3 120 B9R1.2 N#CC1=CC(F)=NC=C1 29098 [1,0,0,0,0,0|1,0,2]=4 121 B9R1.2 N#CC1=CC(I)=CC=C1 3935 [1,0,0,0,0,0|0,1,2]=4 122 B9R1.2 N#CC1=CC(O)=CC=C1 13113 [1,0,0,0,0,0|1,0,2]=4 123 B9R1.2 N#CC1=CC=CC(S)=C1 26190 [1,0,0,0,0,0|1,0,2]=4 124 B9R1.2 N#CC1=CN=CC(F)=C1 32489 [1,0,0,0,0,0|1,0,2]=4 125 B9R1.2 N#CC1=NC(F)=CC=C1 4017 [1,0,0,0,0,0|1,0,2]=4 126 B9R1.2 NC1=CC=CC(CO)=C1 13383 [1,0,0,0,0,0|2,0,0]=3 127 B9R1.2 NC1=NC=CC(CCl)=C1 22291 [1,0,0,0,0,0|3,0,0]=4 128 B9R1.2 NC1=NC=CC(CO)=C1 7690 [1,0,0,0,0,0|3,0,0]=4 129 B9R1.2 NCC1=CC(Br)=CC=C1 21109 [1,0,0,0,0,0|0,1,0]=2 130 B9R1.2 NCC1=CC(Br)=CC=C1 3750 [1,0,0,0,0,0|0,1,0]=2 131 B9R1.2 NCC1=CC(F)=CC=C1 4417 [1,0,0,0,0,0|0,0,0]=1 132 B9R1.2 NCC1=CC(F)=NC=C1 34830 [1,0,0,0,0,0|1,0,0]=2 133 B9R1.2 NCC1=CC(I)=CC=C1 3302 [1,0,0,0,0,0|0,1,0]=2 134 B9R1.2 NCC1=CC(N)=CC=C1 5802 [1,0,0,0,0,0|1,0,0]=2 135 B9R1.2 NCC1=CC(N)=NC=C1 18667 [1,0,0,0,0,0|2,0,0]=3 136 B9R1.2 NCC1=NC=CC(Br)=C1 35197 [1,0,0,0,0,0|1,1,0]=3 137 B9R1.2 NNC1=CC(Br)=CC=C1 23212 [1,0,0,0,0,0|1,1,0]=3 138 B9R1.2 NNC1=CC(Cl)=CC=C1 7529 [1,0,0,0,0,0|1,1,0]=3 139 B9R1.2 NNC1=CC(Cl)=NC=C1 19455 [1,0,0,0,0,0|2,1,0]=4 140 B9R1.2 NNC1=CC(F)=CC=C1 3341 [1,0,0,0,0,0|1,0,0]=2 141 B9R1.2 NNC1=CC=CC(Br)=N1 12987 [1,0,0,0,0,0|2,1,0]=4 142 B9R1.2 NNC1=CC=CC(Cl)=N1 12983 [1,0,0,0,0,0|2,1,0]=4 143 B9R1.2 O=CC1=CC(Br)=CC=C1 3728 [1,0,0,0,0,0|1,1,1]=4 144 B9R1.2 O=CC1=CC(Cl)=CC=C1 10800 [1,0,0,0,0,0|1,1,1]=4 145 B9R1.2 O=CC1=CC(F)=CC=C1 3477 [1,0,0,0,0,0|1,0,1]=3 146 B9R1.2 O=CC1=CC(F)=NC=C1 17094 [1,0,0,0,0,0|2,0,1]=4 147 B9R1.2 O=CC1=CC(I)=CC=C1 3917 [1,0,0,0,0,0|1,1,1]=4 148 B9R1.2 O=CC1=CC(O)=CC=C1 7767 [1,0,0,0,0,0|2,0,1]=4 149 B9R1.2 O=CC1=CC=CC(F)=N1 15245 [1,0,0,0,0,0|2,0,1]=4 150 B9R1.2 O=CC1=CN=CC(F)=C1 5151 [1,0,0,0,0,0|2,0,1]=4 151 B9R1.2 OCC1=CC(Br)=CC=C1 3747 [1,0,0,0,0,0|1,1,0]=3 152 B9R1.2 OCC1=CC(Br)=CN=C1 22108 [1,0,0,0,0,0|2,1,0]=4 153 B9R1.2 OCC1=CC(Br)=NC=C1 7708 [1,0,0,0,0,0|2,1,0]=4 154 B9R1.2 OCC1=CC(Cl)=CC=C1 3626 [1,0,0,0,0,0|1,1,0]=3 155 B9R1.2 OCC1=CC(Cl)=CN=C1 12982 [1,0,0,0,0,0|2,1,0]=4 156 B9R1.2 OCC1=CC(Cl)=NC=C1 18605 [1,0,0,0,0,0|2,1,0]=4 157 B9R1.2 OCC1=CC(F)=CC=C1 3486 [1,0,0,0,0,0|1,0,0]=2 158 B9R1.2 OCC1=CC(I)=CC=C1 24776 [1,0,0,0,0,0|1,1,0]=3 159 B9R1.2 OCC1=CC(I)=CN=C1 16706 [1,0,0,0,0,0|2,1,0]=4 160 B9R1.2 OCC1=CC=CC(Br)=N1 7712 [1,0,0,0,0,0|2,1,0]=4 161 B9R1.2 OCC1=NC(Cl)=CC=C1 13322 [1,0,0,0,0,0|2,1,0]=4 162 B9R1.2 OCC1=NC(Cl)=CC=C1 18795 [1,0,0,0,0,0|2,1,0]=4 163 B9R1.2 OCC1=NC(I)=CC=C1 26934 [1,0,0,0,0,0|2,1,0]=4 164 B9R1.2 OCC1=NC=CC(Br)=C1 20564 [1,0,0,0,0,0|2,1,0]=4 165 B9R1.2 OCC1=NC=CC(Cl)=C1 9828 [1,0,0,0,0,0|2,1,0]=4 166 B9R1.8 BrCCC1=CC=CN=C1 21399 [1,0,0,0,0,0|2,0,0]=3 167 B9R1.8 BrCCC1=NC=CC=C1 23421 [1,0,0,0,0,0|2,0,0]=3 168 B9R1.8 Br[Mg]CC1=CC=CC=C1 20182 [1,0,0,0,0,0|2,0,0]=3 169 B9R1.8 C=CCC1=CC=CC=C1 29358 [1,0,0,0,0,0|1,0,1]=3 170 B9R1.8 C=CSC1=CC=CC=C1 10778 [1,0,0,0,0,0|2,0,1]=4 171 B9R1.8 CCCC1=CC=CC=C1 10852 [1,0,0,0,0,0|1,0,0]=2 172 B9R1.8 CCCC1=CC=NC=C1 15021 [1,0,0,0,0,0|2,0,0]=3 173 B9R1.8 CCOC1=CC=NC=C1 1125 [1,0,0,0,0,0|3,0,0]=4 174 B9R1.8 CCOC1=NC=CC=C1 1126 [1,0,0,0,0,0|3,0,0]=4 175 B9R1.8 CCSC1=CC=CC=C1 10773 [1,0,0,0,0,0|2,0,0]=3 176 B9R1.8 CNCC1=CC=CC=C1 19910 [1,0,0,0,0,0|2,0,0]=3 177 B9R1.8 CNCC1=CC=CC=C1 25218 [1,0,0,0,0,0|2,0,0]=3 178 B9R1.8 CNCC1=CC=CC=C1 5801 [1,0,0,0,0,0|2,0,0]=3 179 B9R1.8 COCC1=CC=CC=C1 15300 [1,0,0,0,0,0|2,0,0]=3 180 B9R1.8 ClCCC1=CC=CC=C1 26674 [1,0,0,0,0,0|1,0,0]=2 181 B9R1.8 ClCCC1=CC=CN=C1 23929 [1,0,0,0,0,0|2,0,0]=3 182 B9R1.8 ClCSC1=CC=CC=C1 10735 [1,0,0,0,0,0|2,0,0]=3 183 B9R1.8 N#CCC1=NC=CC=C1 9302 [1,0,0,0,0,0|1,0,2]=4 184 B9R1.8 NCCC1=CC=CN=C1 13196 [1,0,0,0,0,0|1,0,0]=2 185 B9R1.8 NCCC1=CC=CN=C1 14084 [1,0,0,0,0,0|1,0,0]=2 186 B9R1.8 NCCC1=CC=NC=C1 13447 [1,0,0,0,0,0|1,0,0]=2 187 B9R1.8 NCCC1=NC=CC=C1 2592 [1,0,0,0,0,0|1,0,0]=2 188 B9R1.8 NCCc1ccccc1 21077 [1,0,0,0,0,0|0,0,0]=1 189 B9R1.8 NNCC1=CC=CC=C1 29056 [1,0,0,0,0,0|1,0,0]=2 190 B9R1.8 NOCC1=CC=CC=C1 24804 [1,0,0,0,0,0|1,0,0]=2 191 B9R1.8 NOCC1=CC=CC=C1 7095 [1,0,0,0,0,0|1,0,0]=2 192 B9R1.8 OCCC1=NC=CC=C1 2593 [1,0,0,0,0,0|2,0,0]=3 193 B9R1.8 ONCC1=CC=CC=C1 25520 [1,0,0,0,0,0|2,0,0]=3 194 B9R1.8 S=C=NC1=CC=CC=C1 18702 [1,0,0,0,0,0|2,0,1]=4 195 B9R1.8 SCCC1=CC=CN=C1 25052 [1,0,0,0,0,0|2,0,0]=3 196 B9R1.8 SCCC1=NC=CC=C1 25015 [1,0,0,0,0,0|2,0,0]=3 197 B11R1.13 CC1=C(CC#N)C=CC=C1Br 31542 [0,1,0,0,0,0|0,1,2]=4 198 B11R1.13 CC1=C(CC#N)C=CC=C1I 31546 [0,1,0,0,0,0|0,1,2]=4 199 B11R1.13 CC1=CC=CC(CC#N)=C1Br 31539 [0,1,0,0,0,0|1,0,2]=4 200 B11R1.13 CC1=CC=CC(CC#N)=C1C 10639 [0,1,0,0,0,0|1,0,2]=4 201 B11R1.13 CCOC1=C(F)C(F)=CC=C1 2326 [0,1,0,0,0,0|2,0,0]=3 202 B11R1.13 CCOC1=CC=CC(Br)=C1I 19689 [0,1,0,0,0,0|2,1,0]=4 203 B11R1.13 N#CCC1=C(Cl)C(Cl)=CC=C1 16505 [0,1,0,0,0,0|0,1,2]=4 204 B11R1.13 N#CCC1=C(F)C(Cl)=CC=C1 4263 [0,1,0,0,0,0|0,1,2]=4 205 B11R1.13 N#CCC1=C(F)C(F)=CC=C1 1587 [0,1,0,0,0,0|0,0,2]=3 206 B11R1.13 O=C=NC1=C(Cl)C(F)=CC=C1 28891 [0,1,0,0,0,0|2,0,1]=4 207 B11R1.13 OCCC1=C(Cl)C(Cl)=CC=C1 31585 [0,1,0,0,0,0|1,1,0]=3 208 B11R1.23 CC1=CC=CC(C(=O)NN)=C1 35120 [0,1,0,0,0,0|2,0,1]=4 209 B11R1.23 CCC(=O)C1=CC(Br)=CC=C1 19020 [0,1,0,0,0,0|1,1,1]=4 210 B11R1.23 CCC(=O)C1=CC(Cl)=CC=C1 3083 [0,1,0,0,0,0|1,1,1]=4 211 B11R1.23 CCC(=O)C1=CC(N)=CC=C1 28263 [0,1,0,0,0,0|2,0,1]=4 212 B11R1.23 CCC(=O)C1=CC(O)=CC=C1 25952 [0,1,0,0,0,0|2,0,1]=4 213 B11R1.23 COC(=O)C1=CC(F)=CC=C1 25450 [0,1,0,0,0,0|2,0,1]=4 214 B11R1.23 NCC(=O)c1cccc(Br)c1 31219 [0,1,0,0,0,0|0,1,1]=3 215 B11R1.23 NCC(O)C1=CC(Br)=CC=C1 19650 [0,1,0,0,0,0|0,1,0]=2 216 B11R1.23 NC[C@@H](O)C1=CC(Cl)=CC=C1 19371 [0,1,0,0,0,0|0,1,0]=2 217 B11R1.23 NC[C@@H](O)C1=CC(Cl)=CC=C1 19372 [0,1,0,0,0,0|0,1,0]=2 218 B11R1.23 NNC(=O)C1=CC(Cl)=CC=C1 3621 [0,1,0,0,0,0|1,1,1]=4 219 B11R1.23 NNC(=O)C1=CC(F)=CC=C1 3482 [0,1,0,0,0,0|1,0,1]=3 220 B11R1.23 N[C@@H](CO)C1=CC(Cl)=CC=C1 5640 [0,1,0,0,0,0|1,1,0]=3 221 B11R1.23 O=C(CBr)C1=CC(Br)=CC=C1 29255 [0,1,0,0,0,0|1,1,1]=4 222 B11R1.23 O=C(CBr)C1=CC(Cl)=CC=C1 29257 [0,1,0,0,0,0|1,1,1]=4 223 B11R1.23 O=C(CBr)C1=CC(F)=CC=C1 13417 [0,1,0,0,0,0|1,0,1]=3 224 B11R1.23 O=C(CBr)C1=CC(O)=CC=C1 16446 [0,1,0,0,0,0|2,0,1]=4 225 B11R1.23 O=C(CCl)C1=CC(Cl)=CC=C1 3370 [0,1,0,0,0,0|1,1,1]=4 226 B11R1.23 O=C(CCl)C1=CC(O)=CC=C1 16445 [0,1,0,0,0,0|2,0,1]=4 227 B11R1.23 OC(CBr)C1=CC(Cl)=CC=C1 5669 [0,1,0,0,0,0|1,1,0]=3 228 B11R1.23 O[C@H](CCl)C1=CC(Cl)=CC=C1 15567 [0,1,0,0,0,0|1,1,0]=3 229 B11R1.24 CCCOC1=CC=CC(Br)=N1 9752 [0,1,0,0,0,0|2,1,0]=4 230 B11R1.24 ClC1=CC=CC(OCCBr)=C1 27485 [0,1,0,0,0,0|1,1,0]=3 231 B11R1.24 NCCOC1=CC(F)=CC=C1 19158 [0,1,0,0,0,0|0,0,0]=1 232 B11R1.24 O=C=NCC1=CC(F)=CC=C1 16233 [0,1,0,0,0,0|1,0,1]=3 233 B11R1.24 OCCCC1=CC(Cl)=CC=C1 3101 [0,1,0,0,0,0|1,1,0]=3 234 B11R1.34 CCCC1=CC(F)=CC(F)=C1 26499 [0,1,0,0,0,0|1,0,0]=2 235 B11R1.34 CCOC1=CC(C)=CC(C)=C1 3239 [0,1,0,0,0,0|3,0,0]=4 236 B11R1.34 CCOC1=CC(Cl)=CC(F)=C1 3161 [0,1,0,0,0,0|2,0,0]=3 237 B11R1.34 CCOC1=CC(F)=CC(Br)=C1 25407 [0,1,0,0,0,0|2,0,0]=3 238 B11R1.34 FC1=CC(F)=CC(N=C=S)=C1 11237 [0,1,0,0,0,0|2,0,1]=4 239 B11R1.34 N#CCC1=CC(Br)=CC(Cl)=C1 28846 [0,1,0,0,0,0|0,1,2]=4 240 B11R1.34 N#CCC1=CC(Cl)=CC(Cl)=C1 24011 [0,1,0,0,0,0|0,1,2]=4 241 B11R1.34 N#CCC1=CC(Cl)=CC(F)=C1 4280 [0,1,0,0,0,0|0,0,2]=3 242 B11R1.34 N#CCC1=CC(F)=CC(F)=C1 1588 [0,1,0,0,0,0|0,0,2]=3 243 B11R1.34 NCCC1=CC(Cl)=CC(Cl)=C1 24277 [0,1,0,0,0,0|0,1,0]=2 244 B11R1.34 O=C=NC1=CC(F)=CC(F)=C1 4454 [0,1,0,0,0,0|2,0,1]=4 245 B11R1.157 CC(=O)CC1=CC(Br)=CC=C1 25423 [0,1,0,0,0,0|1,1,1]=4 246 B11R1.157 CC(=O)CC1=CC(Cl)=CC=C1 19805 [0,1,0,0,0,0|1,1,1]=4 247 B11R1.157 CC(=O)CC1=CC(F)=CC=C1 35854 [0,1,0,0,0,0|1,0,1]=3 248 B11R1.157 CC(=O)OC1=CC(F)=CC=C1 3060 [0,1,0,0,0,0|2,0,1]=4 249 B11R1.157 CC(C)CC1=CC=CC(Br)=C1 34333 [0,1,0,0,0,0|1,1,0]=3 250 B11R1.157 CC(C)OC1=CC=CC(Br)=C1 14867 [0,1,0,0,0,0|2,1,0]=4 251 B11R1.157 CC1=CC=CC(CC(=O)O)=C1 28872 [0,1,0,0,0,0|2,0,1]=4 252 B11R1.157 FC(F)OC1=CC=CC(Br)=C1 18537 [0,1,0,0,0,0|2,1,0]=4 253 B11R1.157 FC1=NC(OC(F)F)=CC=C1 31631 [0,1,0,0,0,0|3,0,0]=4 254 B11R1.157 NC(=S)NC1=CC(Br)=CC=C1 14268 [0,1,0,0,0,0|1,1,1]=4 255 B11R1.157 NC1=CC(OC(F)F)=CC=C1 8466 [0,1,0,0,0,0|3,0,0]=4 256 B11R1.157 NC1=CC=CC(CC(=O)O)=C1 1961 [0,1,0,0,0,0|2,0,1]=4 257 B11R1.157 O=C(O)CC1=CC(Br)=CC=C1 4244 [0,1,0,0,0,0|1,1,1]=4 258 B11R1.157 O=C(O)CC1=CC(Cl)=CC=C1 16510 [0,1,0,0,0,0|1,1,1]=4 259 B11R1.157 O=C(O)CC1=CC(F)=CC=C1 4167 [0,1,0,0,0,0|1,0,1]=3 260 B11R1.157 O=C(O)CC1=CC(I)=CC=C1 4195 [0,1,0,0,0,0|1,1,1]=4 261 B11R1.157 O=C(O)CC1=CC(O)=CC=C1 21773 [0,1,0,0,0,0|2,0,1]=4 262 B11R1.157 OC1=CC(OC(F)F)=CC=C1 31094 [0,1,0,0,0,0|3,0,0]=4 263 B11R1.182 CC1=C(CC#N)C=C(Br)C=C1 31474 [0,1,0,0,0,0|0,1,2]=4 264 B11R1.182 CC1=C(CC#N)C=C(F)C=C1 4176 [0,1,0,0,0,0|0,0,2]=3 265 B11R1.182 CC1=CC(CC#N)=C(C)C=C1 21905 [0,1,0,0,0,0|1,0,2]=4 266 B11R1.182 CCOC1=C(Br)C=CC(N)=C1 1919 [0,1,0,0,0,0|3,0,0]=4 267 B11R1.182 CCOC1=C(Cl)C=CC(F)=C1 3157 [0,1,0,0,0,0|2,0,0]=3 268 B11R1.182 CCOC1=C(F)C=CC(Cl)=C1 3166 [0,1,0,0,0,0|2,1,0]=4 269 B11R1.182 FC1=CC(N=C=S)=C(F)C=C1 5020 [0,1,0,0,0,0|2,0,1]=4 270 B11R1.182 N#CCC1=C(Br)C=CC(Br)=C1 31455 [0,1,0,0,0,0|0,1,2]=4 271 B11R1.182 N#CCC1=C(Br)C=CC(Cl)=C1 28845 [0,1,0,0,0,0|0,1,2]=4 272 B11R1.182 N#CCC1=C(Cl)C=CC(Br)=C1 31535 [0,1,0,0,0,0|0,1,2]=4 273 B11R1.182 N#CCC1=C(Cl)C=CC(Cl)=C1 25480 [0,1,0,0,0,0|0,1,2]=4 274 B11R1.182 N#CCC1=C(Cl)C=CC(F)=C1 4252 [0,1,0,0,0,0|0,0,2]=3 275 B11R1.182 N#CCC1=C(F)C=CC(Br)=C1 31441 [0,1,0,0,0,0|0,1,2]=4 276 B11R1.182 N#CCC1=C(F)C=CC(Cl)=C1 4304 [0,1,0,0,0,0|0,1,2]=4 277 B11R1.182 N#CCC1=C(F)C=CC(F)=C1 4097 [0,1,0,0,0,0|0,0,2]=3 278 B11R1.182 O=C=NC1=C(F)C=CC(F)=C1 5022 [0,1,0,0,0,0|2,0,1]=4 279 B11R1.189 CCOC1=CC=CC(C=O)=C1 13132 [0,1,0,0,0,0|3,0,0]=4 280 B11R1.189 CCOC1=CC=CC(NN)=C1 16014 [0,1,0,0,0,0|3,0,0]=4 281 B11R1.189 CNCC1=CC(OC)=CC=C1 31256 [0,1,0,0,0,0|3,0,0]=4 282 B11R1.189 COC1=CC=CC(CC#N)=C1 18497 [0,1,0,0,0,0|1,0,2]=4 283 B11R1.189 COC1=CC=CC(CCN)=C1 12794 [0,1,0,0,0,0|1,0,0]=2 284 B11R1.192 CCOC1=CC(C)=C(Br)C=C1 25477 [0,1,0,0,0,0|3,0,0]=4 285 B11R1.192 CCOC1=CC(C)=C(C)C=C1 3238 [0,1,0,0,0,0|3,0,0]=4 286 B11R1.192 CCOC1=CC(Cl)=C(Br)C=C1 25405 [0,1,0,0,0,0|2,1,0]=4 287 B11R1.192 CCOC1=CC(Cl)=C(Cl)C=C1 3242 [0,1,0,0,0,0|2,1,0]=4 288 B11R1.192 CCOC1=CC(Cl)=C(F)C=C1 3159 [0,1,0,0,0,0|2,1,0]=4 289 B11R1.192 CCOC1=CC(F)=C(Cl)C=C1 3164 [0,1,0,0,0,0|2,0,0]=3 290 B11R1.192 CCOC1=CC(F)=C(F)C=C1 2327 [0,1,0,0,0,0|2,0,0]=3 291 B11R1.192 CCOC1=CC(N)=C(N)C=C1 2153 [0,1,0,0,0,0|3,0,0]=4 292 B11R1.192 CCOC1=CC=C(N)C(N)=C1 2484 [0,1,0,0,0,0|3,0,0]=4 293 B11R1.192 COCC1=CC(F)=C(Br)C=C1 27438 [0,1,0,0,0,0|2,0,0]=3 294 B11R1.192 COCC1=CC(N)=C(Br)C=C1 31047 [0,1,0,0,0,0|3,0,0]=4 295 B11R1.192 Cc1cc(CC#N)ccc1Br 31491 [0,1,0,0,0,0|1,0,2]=4 296 B11R1.192 Cc1cc(CC#N)ccc1F 31505 [0,1,0,0,0,0|1,0,2]=4 297 B11R1.192 FC1=C(Cl)C=C(CCBr)C=C1 31594 [0,1,0,0,0,0|1,1,0]=3 298 B11R1.192 FC1=C(F)C=C(CCBr)C=C1 31603 [0,1,0,0,0,0|1,0,0]=2 299 B11R1.192 N#CCC1=CC(Br)=C(F)C=C1 26632 [0,1,0,0,0,0|0,1,2]=4 300 B11R1.192 N#CCC1=CC(Cl)=C(Cl)C=C1 16506 [0,1,0,0,0,0|0,1,2]=4 301 B11R1.192 N#CCC1=CC(Cl)=C(F)C=C1 18492 [0,1,0,0,0,0|0,1,2]=4 302 B11R1.192 N#CCC1=CC(F)=C(Br)C=C1 28849 [0,1,0,0,0,0|0,0,2]=3 303 B11R1.192 N#CCC1=CC(F)=C(Cl)C=C1 4299 [0,1,0,0,0,0|0,0,2]=3 304 B11R1.192 N#CCC1=CC(F)=C(F)C=C1 4157 [0,1,0,0,0,0|0,0,2]=3 305 B11R1.192 N#CCC1=CC(F)=C(I)C=C1 31431 [0,1,0,0,0,0|0,0,2]=3 306 B11R1.192 NCCC1=CC(F)=C(F)C=C1 31257 [0,1,0,0,0,0|0,0,0]=1 307 B11R1.192 NCCC1=CC(O)=C(O)C=C1 22727 [0,1,0,0,0,0|1,0,0]=2 308 B11R1.192 O=C=NC1=CC(F)=C(F)C=C1 24910 [0,1,0,0,0,0|2,0,1]=4 309 B11R1.192 OCCC1=CC(F)=C(F)C=C1 31602 [0,1,0,0,0,0|1,0,0]=2 310 B11R1.192 OCCC1=CC=C(O)C(O)=C1 14271 [0,1,0,0,0,0|2,0,0]=3 311 B11R2.35 BrC1=CC(C2CC2)=CC=C1 22120 [0,0,0,1,0,0|1,1,0]=3 312 B11R2.35 BrC1=CC(C2CC2)=CN=C1 22078 [0,0,0,1,0,0|2,1,0]=4 313 B11R2.35 BrC1=NC(C2CC2)=CC=C1 27622 [0,0,0,1,0,0|2,1,0]=4 314 B11R2.35 ClC1=CC=CC(C2CO2)=C1 32041 [0,0,0,1,0,0|1,1,0]=3 315 B11R2.35 ClC1=CC=CC([C@@H]2CO2)=C1 5666 [0,0,0,1,0,0|1,1,0]=3 316 B11R2.35 ClC1=CC=CC([C@H]2CO2)=C1 3901 [0,0,0,1,0,0|1,1,0]=3 317 B11R2.36 BrC1=CC2=C(C=C1)CCO2 28031 [0,0,0,1,0,0|2,1,0]=4 318 B11R2.36 BrC1=CC2=C(C=C1)NC=N2 9618 [0,0,0,1,0,0|1,1,1]=4 319 B11R2.36 BrC1=CC2=C(C=C1)OCC2 7055 [0,0,0,1,0,0|1,1,0]=3 320 B11R2.36 BrC1=CC2=C(C=C1)OCO2 3738 [0,0,0,1,0,0|2,1,0]=4 321 B11R2.36 BrC1=CC=C2CCCC2=C1 34435 [0,0,0,1,0,0|1,1,0]=3 322 B11R2.36 BrC1=CC=C2CCNC2=C1 22223 [0,0,0,1,0,0|2,1,0]=4 323 B11R2.36 BrC1=CC=C2CCNC2=C1 8320 [0,0,0,1,0,0|2,1,0]=4 324 B11R2.36 BrC1=CC=C2CNCC2=C1 12928 [0,0,0,1,0,0|2,1,0]=4 325 B11R2.36 BrC1=CC=C2CNCC2=C1 18079 [0,0,0,1,0,0|2,1,0]=4 326 B11R2.36 BrC1=CC=C2NC=CC2=C1 1661 [0,0,0,1,0,0|0,1,2]=4 327 B11R2.36 BrC1=CC=C2NCCC2=C1 7319 [0,0,0,1,0,0|0,1,0]=2 328 B11R2.36 BrC1=CC=C2NN=CC2=C1 15628 [0,0,0,1,0,0|1,1,1]=4 329 B11R2.36 BrC1=CN=C2NCCC2=C1 15516 [0,0,0,1,0,0|1,1,0]=3 330 B11R2.36 CC1=CC=C2CNCC2=C1 33793 [0,0,0,1,0,0|3,0,0]=4 331 B11R2.36 CC1=CC=C2NC=CC2=C1 7238 [0,0,0,1,0,0|1,0,2]=4 332 B11R2.36 CC1=CC=C2NN=CC2=C1 7832 [0,0,0,1,0,0|2,0,1]=4 333 B11R2.36 ClC1=CC2=C(C=C1)OCO2 3620 [0,0,0,1,0,0|2,1,0]=4 334 B11R2.36 ClC1=CC=C2CNCC2=C1 18083 [0,0,0,1,0,0|2,1,0]=4 335 B11R2.36 ClC1=CC=C2CNCC2=C1 18084 [0,0,0,1,0,0|2,1,0]=4 336 B11R2.36 ClC1=CC=C2NC=CC2=C1 1668 [0,0,0,1,0,0|0,1,2]=4 337 B11R2.36 ClC1=CC=C2NCCC2=C1 2112 [0,0,0,1,0,0|0,1,0]=2 338 B11R2.36 FC1=CC2=C(C=C1)N=CN2 6519 [0,0,0,1,0,0|1,0,2]=4 339 B11R2.36 FC1=CC2=C(C=C1)OC=C2 16047 [0,0,0,1,0,0|1,0,2]=4 340 B11R2.36 FC1=CC2=C(C=C1)OC=N2 21888 [0,0,0,1,0,0|2,0,1]=4 341 B11R2.36 FC1=CC2=C(C=C1)OCC2 24189 [0,0,0,1,0,0|1,0,0]=2 342 B11R2.36 FC1=CC2=C(C=C1)SC=C2 16046 [0,0,0,1,0,0|1,0,2]=4 343 B11R2.36 FC1=CC2=C(C=CS2)C=C1 34529 [0,0,0,1,0,0|2,0,1]=4 344 B11R2.36 FC1=CC=C2C=CNC2=C1 1682 [0,0,0,1,0,0|2,0,1]=4 345 B11R2.36 FC1=CC=C2C=NNC2=C1 12467 [0,0,0,1,0,0|3,0,0]=4 346 B11R2.36 FC1=CC=C2CCNC2=C1 34355 [0,0,0,1,0,0|2,0,0]=3 347 B11R2.36 FC1=CC=C2CNCC2=C1 18062 [0,0,0,1,0,0|2,0,0]=3 348 B11R2.36 FC1=CC=C2NC=CC2=C1 1681 [0,0,0,1,0,0|0,0,2]=3 349 B11R2.36 FC1=CC=C2NC=CC2=N1 32211 [0,0,0,1,0,0|1,0,2]=4 350 B11R2.36 FC1=CN=C2NC=CC2=C1 14700 [0,0,0,1,0,0|1,0,2]=4 351 B11R2.36 FC1=CN=C2NN=CC2=C1 32571 [0,0,0,1,0,0|2,0,1]=4 352 B11R2.36 IC1=CC2=C(C=C1)OCC2 27760 [0,0,0,1,0,0|1,1,0]=3 353 B11R2.36 IC1=CC2=C(C=C1)OCO2 33795 [0,0,0,1,0,0|2,1,0]=4 354 B11R2.36 IC1=CC=C2NC=CC2=C1 27398 [0,0,0,1,0,0|0,1,2]=4 355 B11R2.36 IC1=CC=C2NN=CC2=C1 20575 [0,0,0,1,0,0|1,1,1]=4 356 B11R2.36 NC1=CC2=C(C=C1)OCC2 16462 [0,0,0,1,0,0|2,0,0]=3 357 B11R2.36 NC1=CC2=C(C=C1)OCC2 20541 [0,0,0,1,0,0|2,0,0]=3 358 B11R2.36 NC1=CC2=C(C=C1)OCO2 22150 [0,0,0,1,0,0|3,0,0]=4 359 B11R2.36 NC1=CC=C2CNCC2=C1 18060 [0,0,0,1,0,0|3,0,0]=4 360 B11R2.36 NC1=CC=C2CNCC2=C1 26253 [0,0,0,1,0,0|3,0,0]=4 361 B11R2.36 NC1=CC=C2NC=CC2=C1 7234 [0,0,0,1,0,0|1,0,2]=4 362 B11R2.36 NC1=CC=C2NN=CC2=C1 8628 [0,0,0,1,0,0|2,0,1]=4 363 B11R2.36 OC1=CC2=C(C=C1)CCO2 32303 [0,0,0,1,0,0|3,0,0]=4 364 B11R2.36 OC1=CC2=C(C=C1)OCO2 15359 [0,0,0,1,0,0|3,0,0]=4 365 B11R2.36 OC1=CC=C2CNCC2=C1 17682 [0,0,0,1,0,0|3,0,0]=4 366 B11R2.36 OC1=CC=C2NC=CC2=C1 7263 [0,0,0,1,0,0|1,0,2]=4 367 B11R2.36 OC1=CC=C2NN=CC2=C1 15661 [0,0,0,1,0,0|2,0,1]=4 368 B11R2.36 SC1=CC2=C(C=C1)OCO2 15612 [0,0,0,1,0,0|3,0,0]=4 369 B11R2.106 BrC1=C2CCCC2=CC=C1 26432 [0,0,0,1,0,0|1,1,0]=3 370 B11R2.106 BrC1=C2CCNC2=CC=C1 27757 [0,0,0,1,0,0|2,1,0]=4 371 B11R2.106 BrC1=C2CNCC2=CC=C1 14849 [0,0,0,1,0,0|2,1,0]=4 372 B11R2.106 BrC1=C2CNCC2=CC=C1 34251 [0,0,0,1,0,0|2,1,0]=4 373 B11R2.106 BrC1=C2NC=CC2=CC=C1 7318 [0,0,0,1,0,0|0,1,2]=4 374 B11R2.106 BrC1=C2NN=CC2=CC=C1 14406 [0,0,0,1,0,0|1,1,1]=4 375 B11R2.106 BrC1=CC=CC2=C1OCC2 34424 [0,0,0,1,0,0|1,1,0]=3 376 B11R2.106 BrC1=CC=CC2=C1OCO2 32045 [0,0,0,1,0,0|2,1,0]=4 377 B11R2.106 CC1=C2NC=CC2=CC=C1 7243 [0,0,0,1,0,0|1,0,2]=4 378 B11R2.106 CC1=C2NCCC2=CC=C1 8319 [0,0,0,1,0,0|1,0,0]=2 379 B11R2.106 ClC1=C2CCCC2=NC=C1 26170 [0,0,0,1,0,0|2,1,0]=4 380 B11R2.106 ClC1=C2CCNC2=CC=C1 7324 [0,0,0,1,0,0|2,1,0]=4 381 B11R2.106 ClC1=C2CNCC2=CC=C1 18080 [0,0,0,1,0,0|2,1,0]=4 382 B11R2.106 ClC1=C2CNCC2=CC=C1 18082 [0,0,0,1,0,0|2,1,0]=4 383 B11R2.106 ClC1=C2NC=CC2=CC=C1 3195 [0,0,0,1,0,0|0,1,2]=4 384 B11R2.106 FC1=C2C=CNC2=CC=C1 7297 [0,0,0,1,0,0|2,0,1]=4 385 B11R2.106 FC1=C2CCNC2=CC=C1 16911 [0,0,0,1,0,0|2,0,0]=3 386 B11R2.106 FC1=C2NC=CC2=CC=C1 7294 [0,0,0,1,0,0|0,0,2]=3 387 B11R2.106 FC1=C2NN=CC2=CC=C1 34733 [0,0,0,1,0,0|1,0,1]=3 388 B11R2.106 FC1=CC=CC2=C1C=CO2 15663 [0,0,0,1,0,0|2,0,1]=4 389 B11R2.106 FC1=CC=CC2=C1C=CS2 28000 [0,0,0,1,0,0|2,0,1]=4 390 B11R2.106 FC1=CC=CC2=C1OC=C2 28023 [0,0,0,1,0,0|1,0,2]=4 391 B11R2.106 FC1=CC=CC2=C1SC=C2 32445 [0,0,0,1,0,0|1,0,2]=4 392 B11R2.106 Fc1cccc2c1CNC2 17379 [0,0,0,1,0,0|2,0,0]=3 393 B11R2.106 IC1=C2NN=CC2=CC=C1 20887 [0,0,0,1,0,0|1,1,1]=4 394 B11R2.106 NC1=C2NN=CC2=CC=C1 20891 [0,0,0,1,0,0|2,0,1]=4 395 B11R2.106 NC1=C2OCOC2=CC=C1 35364 [0,0,0,1,0,0|3,0,0]=4 396 B11R2.106 NC1=CC=CC2=C1CCN2 25090 [0,0,0,1,0,0|3,0,0]=4 397 B11R2.106 NC1=CC=CC2=C1CNC2 18061 [0,0,0,1,0,0|3,0,0]=4 398 B11R2.106 NC1=CC=CC2=C1CNC2 22063 [0,0,0,1,0,0|3,0,0]=4 399 B11R2.106 NC1=CC=CC2=C1CNC2 33256 [0,0,0,1,0,0|3,0,0]=4 400 B11R2.106 NC1=CC=CC2=C1NC=N2 8065 [0,0,0,1,0,0|2,0,1]=4 401 B11R2.106 OC1=C2NC=CC2=CC=C1 7345 [0,0,0,1,0,0|1,0,2]=4 402 B11R2.106 OC1=C2NN=CC2=CC=C1 15664 [0,0,0,1,0,0|2,0,1]=4 403 B11R2.106 OC1=CC=CC2=C1CCC2 24129 [0,0,0,1,0,0|2,0,0]=3 404 B11R2.106 OC1=CC=CC2=C1CCN2 25096 [0,0,0,1,0,0|3,0,0]=4 405 B11R2.106 OC1=CC=CC2=C1CNC2 17684 [0,0,0,1,0,0|3,0,0]=4 406 B11R2.106 OC1=CC=CC2=C1CNC2 24314 [0,0,0,1,0,0|3,0,0]=4 407 B9R1.7 CC1=CNC(CCN)=N1 24977 [0,0,0,0,1,0|3,0,0]=4 408 B9R1.7 CN1C=C(CCN)C=N1 24677 [0,0,0,0,1,0|3,0,0]=4 409 B9R1.7 NCCC1=CN=C(N)N1 16138 [0,0,0,0,1,0|3,0,0]=4 410 B9R1.33 CC1=C(CCN)SC=N1 24666 [0,0,0,0,1,0|3,0,0]=4 411 B8R1.2 BrCC1=CC=CC=C1 13143 [2,0,0,0,0,0|1,0,0]=3 412 B8R1.2 BrCC1=CC=CN=C1 17664 [2,0,0,0,0,0|2,0,0]=4 413 B8R1.2 C#CC1=CC=CC=C1 15340 [2,0,0,0,0,0|0,0,2]=4 414 B8R1.2 CCC1=NC=NC=C1 23618 [2,0,0,0,0,0|2,0,0]=4 415 B8R1.2 CNC1=CC=CN=C1 14983 [2,0,0,0,0,0|2,0,0]=4 416 B8R1.2 CNC1=CC=NC=C1 12915 [2,0,0,0,0,0|2,0,0]=4 417 B8R1.2 COC1=CC=CC=C1 12830 [2,0,0,0,0,0|1,0,0]=3 418 B8R1.2 COC1=CC=CC=C1 17272 [2,0,0,0,0,0|1,0,0]=3 419 B8R1.2 COC1=CC=CN=C1 15370 [2,0,0,0,0,0|2,0,0]=4 420 B8R1.2 COC1=CC=NC=C1 2585 [2,0,0,0,0,0|2,0,0]=4 421 B8R1.2 COC1=NC=CC=C1 13201 [2,0,0,0,0,0|2,0,0]=4 422 B8R1.2 CSC1=CC=CC=C1 10578 [2,0,0,0,0,0|1,0,0]=3 423 B8R1.2 CSC1=NC=CC=C1 35938 [2,0,0,0,0,0|2,0,0]=4 424 B8R1.2 ClCC1=CC=CN=C1 9217 [2,0,0,0,0,0|2,0,0]=4 425 B8R1.2 ClCC1=CC=NC=C1 15905 [2,0,0,0,0,0|2,0,0]=4 426 B8R1.2 ClCC1=NC=CC=C1 16732 [2,0,0,0,0,0|2,0,0]=4 427 B8R1.2 ClCC1=NC=CC=C1 36036 [2,0,0,0,0,0|2,0,0]=4 428 B8R1.2 N#Cc1ccccc1 25507 [2,0,0,0,0,0|0,0,2]=4 429 B8R1.2 NCC1=CC=CC=C1 25530 [2,0,0,0,0,0|0,0,0]=2 430 B8R1.2 NCC1=CC=CN=C1 11140 [2,0,0,0,0,0|1,0,0]=3 431 B8R1.2 NCC1=CC=NC=C1 12407 [2,0,0,0,0,0|1,0,0]=3 432 B8R1.2 NCC1=NC=CC=C1 11142 [2,0,0,0,0,0|1,0,0]=3 433 B8R1.2 NCC1=NC=CC=N1 26329 [2,0,0,0,0,0|2,0,0]=4 434 B8R1.2 NCC1=NC=CN=C1 17822 [2,0,0,0,0,0|2,0,0]=4 435 B8R1.2 NNC1=CC=CC=C1 22925 [2,0,0,0,0,0|1,0,0]=3 436 B8R1.2 NNC1=CC=NC=C1 16313 [2,0,0,0,0,0|2,0,0]=4 437 B8R1.2 NNC1=NC=CC=C1 22630 [2,0,0,0,0,0|2,0,0]=4 438 B8R1.2 OCC1=CC=CN=C1 11736 [2,0,0,0,0,0|2,0,0]=4 439 B8R1.2 OCC1=CC=NC=C1 11738 [2,0,0,0,0,0|2,0,0]=4 440 B8R1.2 OCC1=NC=CC=C1 9301 [2,0,0,0,0,0|2,0,0]=4 441 B8R1.2 SCC1=CC=CC=C1 6835 [2,0,0,0,0,0|1,0,0]=3 442 B8R1.2 SCC1=CC=CN=C1 25049 [2,0,0,0,0,0|2,0,0]=4 443 B8R1.2 SCC1=CC=NC=C1 25053 [2,0,0,0,0,0|2,0,0]=4 444 B8R1.2 SCC1=NC=CC=C1 25013 [2,0,0,0,0,0|2,0,0]=4 445 B8R1.4 BrC1=CC(I)=CC=C1 3785 [2,0,0,0,0,0|1,1,0]=4 446 B8R1.4 BrC1=CC=CC(Br)=C1 3855 [2,0,0,0,0,0|1,1,0]=4 447 B8R1.4 CC1=CC(Br)=CC=C1 3836 [2,0,0,0,0,0|0,1,0]=3 448 B8R1.4 CC1=CC(Br)=NC=C1 1184 [2,0,0,0,0,0|1,1,0]=4 449 B8R1.4 CC1=CC(C)=NC=C1 20508 [2,0,0,0,0,0|2,0,0]=4 450 B8R1.4 CC1=CC(Cl)=CC=C1 3678 [2,0,0,0,0,0|0,1,0]=3 451 B8R1.4 CC1=CC(Cl)=NC=C1 1192 [2,0,0,0,0,0|1,1,0]=4 452 B8R1.4 CC1=CC(F)=NC=C1 1203 [2,0,0,0,0,0|1,0,0]=3 453 B8R1.4 CC1=CC(I)=CC=C1 12585 [2,0,0,0,0,0|0,1,0]=3 454 B8R1.4 CC1=CC(I)=NC=C1 13513 [2,0,0,0,0,0|1,1,0]=4 455 B8R1.4 CC1=CC(N)=NC=C1 2238 [2,0,0,0,0,0|2,0,0]=4 456 B8R1.4 CC1=CC(O)=NC=C1 1206 [2,0,0,0,0,0|2,0,0]=4 457 B8R1.4 CC1=CC=CC(Br)=N1 1139 [2,0,0,0,0,0|1,1,0]=4 458 B8R1.4 CC1=CC=CC(C)=N1 14295 [2,0,0,0,0,0|2,0,0]=4 459 B8R1.4 CC1=CC=CC(C)=N1 15897 [2,0,0,0,0,0|2,0,0]=4 460 B8R1.4 CC1=CC=CC(Cl)=N1 1194 [2,0,0,0,0,0|1,1,0]=4 461 B8R1.4 CC1=CC=CC(F)=C1 24460 [2,0,0,0,0,0|0,0,0]=2 462 B8R1.4 CC1=CC=CC(F)=N1 6443 [2,0,0,0,0,0|1,0,0]=3 463 B8R1.4 CC1=CC=CC(I)=N1 34165 [2,0,0,0,0,0|1,1,0]=4 464 B8R1.4 CC1=CC=CC(N)=N1 5922 [2,0,0,0,0,0|2,0,0]=4 465 B8R1.4 CC1=CC=CC(O)=N1 1114 [2,0,0,0,0,0|2,0,0]=4 466 B8R1.4 CC1=CC=CC(S)=C1 6808 [2,0,0,0,0,0|1,0,0]=3 467 B8R1.4 CC1=CC=C[N+]([O-])=C1 25351 [2,0,0,0,0,0|2,0,0]=4 468 B8R1.4 CC1=CN=CC(Br)=C1 4036 [2,0,0,0,0,0|1,1,0]=4 469 B8R1.4 CC1=CN=CC(F)=C1 10630 [2,0,0,0,0,0|1,0,0]=3 470 B8R1.4 CC1=CN=CC(N)=C1 1279 [2,0,0,0,0,0|2,0,0]=4 471 B8R1.4 CC1=CN=CC(N)=C1 9634 [2,0,0,0,0,0|2,0,0]=4 472 B8R1.4 CC1=CN=CC(O)=C1 6629 [2,0,0,0,0,0|2,0,0]=4 473 B8R1.4 CC1=NC=CC(Br)=C1 4035 [2,0,0,0,0,0|1,1,0]=4 474 B8R1.4 CC1=NC=CC(Cl)=C1 2071 [2,0,0,0,0,0|1,1,0]=4 475 B8R1.4 CC1=NC=CC(F)=C1 21038 [2,0,0,0,0,0|1,0,0]=3 476 B8R1.4 CC1=NC=CC(N)=C1 1118 [2,0,0,0,0,0|2,0,0]=4 477 B8R1.4 CC1=NC=CC(O)=C1 17657 [2,0,0,0,0,0|2,0,0]=4 478 B8R1.4 ClC1=CC(I)=CC=C1 3647 [2,0,0,0,0,0|1,1,0]=4 479 B8R1.4 ClC1=CC=CC(Br)=C1 3583 [2,0,0,0,0,0|1,1,0]=4 480 B8R1.4 ClC1=CC=CC(Cl)=C1 13088 [2,0,0,0,0,0|1,1,0]=4 481 B8R1.4 FC1=CC(Br)=NC=C1 3004 [2,0,0,0,0,0|2,0,0]=4 482 B8R1.4 FC1=CC(Cl)=NC=C1 6180 [2,0,0,0,0,0|2,0,0]=4 483 B8R1.4 FC1=CC(F)=NC=C1 16929 [2,0,0,0,0,0|2,0,0]=4 484 B8R1.4 FC1=CC(I)=CC=C1 3497 [2,0,0,0,0,0|1,0,0]=3 485 B8R1.4 FC1=CC(I)=CN=C1 36304 [2,0,0,0,0,0|2,0,0]=4 486 B8R1.4 FC1=CC=CC(Br)=C1 2300 [2,0,0,0,0,0|1,0,0]=3 487 B8R1.4 FC1=CC=CC(Br)=N1 26678 [2,0,0,0,0,0|2,0,0]=4 488 B8R1.4 FC1=CC=CC(Cl)=C1 3419 [2,0,0,0,0,0|1,0,0]=3 489 B8R1.4 FC1=CC=CC(Cl)=N1 9216 [2,0,0,0,0,0|2,0,0]=4 490 B8R1.4 FC1=CC=CC(F)=C1 2308 [2,0,0,0,0,0|1,0,0]=3 491 B8R1.4 FC1=CC=CC(F)=N1 9241 [2,0,0,0,0,0|2,0,0]=4 492 B8R1.4 FC1=CC=CC(S)=C1 5429 [2,0,0,0,0,0|1,0,0]=3 493 B8R1.4 FC1=CN=CC(Br)=C1 3964 [2,0,0,0,0,0|2,0,0]=4 494 B8R1.4 FC1=CN=CC(Cl)=C1 6620 [2,0,0,0,0,0|2,0,0]=4 495 B8R1.4 FC1=CN=CC(F)=C1 10556 [2,0,0,0,0,0|2,0,0]=4 496 B8R1.4 FC1=NC(Br)=CC=C1 14324 [2,0,0,0,0,0|2,0,0]=4 497 B8R1.4 FC1=NC=CC(Br)=C1 1228 [2,0,0,0,0,0|2,0,0]=4 498 B8R1.4 FC1=NC=CC(Cl)=C1 13535 [2,0,0,0,0,0|2,0,0]=4 499 B8R1.4 FC1=NC=CC(I)=C1 3510 [2,0,0,0,0,0|2,0,0]=4 500 B8R1.4 IC1=CC=CC(I)=C1 3833 [2,0,0,0,0,0|1,1,0]=4 501 B8R1.4 NC1=CC(Br)=CC=C1 3723 [2,0,0,0,0,0|0,1,0]=3 502 B8R1.4 NC1=CC(Br)=CN=C1 1213 [2,0,0,0,0,0|1,1,0]=4 503 B8R1.4 NC1=CC(Br)=NC=C1 1222 [2,0,0,0,0,0|1,1,0]=4 504 B8R1.4 NC1=CC(Cl)=CC=C1 20239 [2,0,0,0,0,0|0,1,0]=3 505 B8R1.4 NC1=CC(Cl)=CN=C1 33660 [2,0,0,0,0,0|1,1,0]=4 506 B8R1.4 NC1=CC(Cl)=NC=C1 1248 [2,0,0,0,0,0|1,1,0]=4 507 B8R1.4 NC1=CC(F)=CC=C1 10751 [2,0,0,0,0,0|0,0,0]=2 508 B8R1.4 NC1=CC(F)=CC=C1 13943 [2,0,0,0,0,0|0,0,0]=2 509 B8R1.4 NC1=CC(F)=CN=C1 1260 [2,0,0,0,0,0|1,0,0]=3 510 B8R1.4 NC1=CC(F)=NC=C1 1227 [2,0,0,0,0,0|1,0,0]=3 511 B8R1.4 NC1=CC(I)=CC=C1 10577 [2,0,0,0,0,0|0,1,0]=3 512 B8R1.4 NC1=CC(I)=CN=C1 27047 [2,0,0,0,0,0|1,1,0]=4 513 B8R1.4 NC1=CC(N)=NC=C1 5418 [2,0,0,0,0,0|2,0,0]=4 514 B8R1.4 NC1=CC(O)=NC=C1 6648 [2,0,0,0,0,0|2,0,0]=4 515 B8R1.4 NC1=CC=CC(N)=N1 15371 [2,0,0,0,0,0|2,0,0]=4 516 B8R1.4 NC1=CC=CC(O)=C1 18119 [2,0,0,0,0,0|1,0,0]=3 517 B8R1.4 NC1=CC=CC(O)=N1 25861 [2,0,0,0,0,0|2,0,0]=4 518 B8R1.4 NC1=CC=CC(S)=C1 2470 [2,0,0,0,0,0|1,0,0]=3 519 B8R1.4 NC1=CN=CC(N)=C1 2257 [2,0,0,0,0,0|2,0,0]=4 520 B8R1.4 NC1=CN=CC(O)=C1 6627 [2,0,0,0,0,0|2,0,0]=4 521 B8R1.4 NC1=NC(Br)=CC=C1 17525 [2,0,0,0,0,0|1,1,0]=4 522 B8R1.4 NC1=NC(Br)=CC=C1 7663 [2,0,0,0,0,0|1,1,0]=4 523 B8R1.4 NC1=NC(Cl)=CC=C1 9117 [2,0,0,0,0,0|1,1,0]=4 524 B8R1.4 NC1=NC(F)=CC=C1 2979 [2,0,0,0,0,0|1,0,0]=3 525 B8R1.4 NC1=NC(I)=CC=C1 26933 [2,0,0,0,0,0|1,1,0]=4 526 B8R1.4 NC1=NC=CC(Br)=C1 4039 [2,0,0,0,0,0|1,1,0]=4 527 B8R1.4 NC1=NC=CC(Cl)=C1 5695 [2,0,0,0,0,0|1,1,0]=4 528 B8R1.4 NC1=NC=CC(F)=C1 19911 [2,0,0,0,0,0|1,0,0]=3 529 B8R1.4 NC1=NC=CC(O)=C1 6677 [2,0,0,0,0,0|2,0,0]=4 530 B8R1.4 OC1=CC(Br)=CC=C1 3824 [2,0,0,0,0,0|1,1,0]=4 531 B8R1.4 OC1=CC(Cl)=CC=C1 3677 [2,0,0,0,0,0|1,1,0]=4 532 B8R1.4 OC1=CC(F)=CC=C1 3884 [2,0,0,0,0,0|1,0,0]=3 533 B8R1.4 OC1=CC(I)=CC=C1 3968 [2,0,0,0,0,0|1,1,0]=4 534 B8R1.4 OC1=CC=CC(O)=C1 22214 [2,0,0,0,0,0|2,0,0]=4 535 B8R1.4 OC1=CC=CC(S)=C1 6829 [2,0,0,0,0,0|2,0,0]=4 536 B8R1.4 OC1=CN=CC(F)=C1 6625 [2,0,0,0,0,0|2,0,0]=4 537 B8R1.4 SC1=CC(Br)=CC=C1 6805 [2,0,0,0,0,0|1,1,0]=4 538 B8R1.4 SC1=CC(Cl)=CC=C1 6785 [2,0,0,0,0,0|1,1,0]=4 539 B8R1.4 [O-][N+]1=CC(F)=CC=C1 14114 [2,0,0,0,0,0|2,0,0]=4 540 B10R1.2 BrCC1=C(Br)C(I)=CC=C1 31265 [1,1,0,0,0,0|1,1,0]=4 541 B10R1.2 CC1=C(C#N)C=CC=C1F 1556 [1,1,0,0,0,0|0,0,2]=4 542 B10R1.2 CC1=C(C=O)C=CC=C1F 1453 [1,1,0,0,0,0|1,0,1]=4 543 B10R1.2 CC1=C(CBr)C=CC=C1Br 31382 [1,1,0,0,0,0|1,1,0]=4 544 B10R1.2 CC1=C(CBr)C=CC=C1I 31386 [1,1,0,0,0,0|1,1,0]=4 545 B10R1.2 CC1=C(CO)C=CC=C1Br 31381 [1,1,0,0,0,0|1,1,0]=4 546 B10R1.2 CC1=C(CO)C=CC=C1F 4925 [1,1,0,0,0,0|1,0,0]=3 547 B10R1.2 CC1=C(CO)C=CC=C1I 31385 [1,1,0,0,0,0|1,1,0]=4 548 B10R1.2 CC1=C(CO)C=CC=C1N 19790 [1,1,0,0,0,0|2,0,0]=4 549 B10R1.2 CC1=CC=CC(CBr)=C1Br 31378 [1,1,0,0,0,0|2,0,0]=4 550 B10R1.2 CC1=CC=CC(CBr)=C1C 27463 [1,1,0,0,0,0|2,0,0]=4 551 B10R1.2 CC1=CC=CC(CN)=C1Cl 31260 [1,1,0,0,0,0|1,0,0]=3 552 B10R1.2 CC1=CC=CC(CN)=C1F 31262 [1,1,0,0,0,0|1,0,0]=3 553 B10R1.2 CC1=CC=CC(CO)=C1Br 31377 [1,1,0,0,0,0|2,0,0]=4 554 B10R1.2 CC1=CC=CC(NN)=C1C 6398 [1,1,0,0,0,0|2,0,0]=4 555 B10R1.2 CCC1=C(O)C(O)=CC=C1 33193 [1,1,0,0,0,0|1,0,0]=3 556 B10R1.2 CCC1=CC=CC(Br)=C1O 33831 [1,1,0,0,0,0|0,1,0]=3 557 B10R1.2 CCC1=CC=CC(Cl)=C1N 34625 [1,1,0,0,0,0|0,1,0]=3 558 B10R1.2 CCC1=CC=CC(Cl)=C1O 27841 [1,1,0,0,0,0|0,1,0]=3 559 B10R1.2 CCC1=CC=CC(O)=C1F 27791 [1,1,0,0,0,0|1,0,0]=3 560 B10R1.2 COC1=C(Br)C(Br)=CC=C1 31145 [1,1,0,0,0,0|1,1,0]=4 561 B10R1.2 COC1=C(Br)C(C)=CC=C1 31146 [1,1,0,0,0,0|2,0,0]=4 562 B10R1.2 COC1=C(Br)C(F)=CC=C1 4125 [1,1,0,0,0,0|1,0,0]=3 563 B10R1.2 COC1=C(C)C(Br)=CC=C1 31165 [1,1,0,0,0,0|1,1,0]=4 564 B10R1.2 COC1=C(C)C(C)=CC=C1 4114 [1,1,0,0,0,0|2,0,0]=4 565 B10R1.2 COC1=C(C)C(Cl)=CC=C1 2664 [1,1,0,0,0,0|1,1,0]=4 566 B10R1.2 COC1=C(Cl)C(Br)=CC=C1 31152 [1,1,0,0,0,0|1,1,0]=4 567 B10R1.2 COC1=C(Cl)C(Cl)=CC=C1 3680 [1,1,0,0,0,0|1,1,0]=4 568 B10R1.2 COC1=C(Cl)C(F)=CC=C1 31158 [1,1,0,0,0,0|1,0,0]=3 569 B10R1.2 COC1=C(F)C(Br)=CC=C1 4127 [1,1,0,0,0,0|1,1,0]=4 570 B10R1.2 COC1=C(F)C(Cl)=CC=C1 31153 [1,1,0,0,0,0|1,1,0]=4 571 B10R1.2 COC1=C(F)C(Cl)=CC=C1 8445 [1,1,0,0,0,0|1,1,0]=4 572 B10R1.2 COC1=C(I)C(F)=CC=C1 4119 [1,1,0,0,0,0|1,0,0]=3 573 B10R1.2 COC1=C(I)C(N)=CC=C1 28346 [1,1,0,0,0,0|2,0,0]=4 574 B10R1.2 COC1=CC=CC(Br)=C1N 31031 [1,1,0,0,0,0|1,1,0]=4 575 B10R1.2 COC1=CC=CC(Br)=C1O 33838 [1,1,0,0,0,0|1,1,0]=4 576 B10R1.2 COC1=CC=CC(Cl)=C1N 31032 [1,1,0,0,0,0|1,1,0]=4 577 B10R1.2 COC1=CC=CC(Cl)=C1O 28111 [1,1,0,0,0,0|1,1,0]=4 578 B10R1.2 COC1=CC=CC(F)=C1F 1969 [1,1,0,0,0,0|1,0,0]=3 579 B10R1.2 COC1=CC=CC(F)=C1N 8485 [1,1,0,0,0,0|1,0,0]=3 580 B10R1.2 COC1=CC=CC(F)=C1O 3878 [1,1,0,0,0,0|1,0,0]=3 581 B10R1.2 COC1=CC=CC(I)=C1Br 27634 [1,1,0,0,0,0|1,1,0]=4 582 B10R1.2 COC1=CC=CC(I)=C1C 33420 [1,1,0,0,0,0|1,1,0]=4 583 B10R1.2 COC1=CC=CC(N)=C1Br 15644 [1,1,0,0,0,0|2,0,0]=4 584 B10R1.2 COC1=CC=CC(N)=C1C 15040 [1,1,0,0,0,0|2,0,0]=4 585 B10R1.2 COC1=CC=CC(N)=C1C 19248 [1,1,0,0,0,0|2,0,0]=4 586 B10R1.2 COC1=CC=CC(N)=C1Cl 19249 [1,1,0,0,0,0|2,0,0]=4 587 B10R1.2 COC1=CC=CC(N)=C1Cl 19250 [1,1,0,0,0,0|2,0,0]=4 588 B10R1.2 COC1=CC=CC(N)=C1F 15807 [1,1,0,0,0,0|2,0,0]=4 589 B10R1.2 COC1=CC=CC(N)=C1O 33268 [1,1,0,0,0,0|2,0,0]=4 590 B10R1.2 COC1=CC=CC(O)=C1Br 34186 [1,1,0,0,0,0|2,0,0]=4 591 B10R1.2 COC1=CC=CC(O)=C1Cl 33442 [1,1,0,0,0,0|2,0,0]=4 592 B10R1.2 COC1=CC=CC(O)=C1F 27943 [1,1,0,0,0,0|2,0,0]=4 593 B10R1.2 CSC1=C(C)C(Cl)=CC=C1 10673 [1,1,0,0,0,0|1,1,0]=4 594 B10R1.2 ClCC1=C(Cl)C(Cl)=CC=C1 16508 [1,1,0,0,0,0|1,1,0]=4 595 B10R1.2 FC1=C(Br)C=CC=C1CCl 23347 [1,1,0,0,0,0|1,1,0]=4 596 B10R1.2 FC1=C(CBr)C=CC=C1Br 27437 [1,1,0,0,0,0|1,1,0]=4 597 B10R1.2 FC1=C(CBr)C=CC=C1Cl 4895 [1,1,0,0,0,0|1,1,0]=4 598 B10R1.2 FC1=C(CCl)C=CC=C1Cl 31346 [1,1,0,0,0,0|1,1,0]=4 599 B10R1.2 FC1=CC=CC(CBr)=C1Br 28798 [1,1,0,0,0,0|1,0,0]=3 600 B10R1.2 FC1=CC=CC(CBr)=C1Cl 31269 [1,1,0,0,0,0|1,0,0]=3 601 B10R1.2 FC1=CC=CC(CBr)=C1F 4909 [1,1,0,0,0,0|1,0,0]=3 602 B10R1.2 FC1=CC=CC(CCl)=C1F 10225 [1,1,0,0,0,0|1,0,0]=3 603 B10R1.2 N#CC1=C(Br)C(F)=CC=C1 4702 [1,1,0,0,0,0|0,0,2]=4 604 B10R1.2 N#CC1=C(Cl)C(F)=CC=C1 3554 [1,1,0,0,0,0|0,0,2]=4 605 B10R1.2 N#CC1=C(F)C(F)=CC=C1 1564 [1,1,0,0,0,0|0,0,2]=4 606 B10R1.2 N#CC1=C(I)C(F)=CC=C1 28746 [1,1,0,0,0,0|0,0,2]=4 607 B10R1.2 N#CC1=C(N)C(F)=CC=C1 4638 [1,1,0,0,0,0|0,0,2]=4 608 B10R1.2 N#CC1=C(O)C(F)=CC=C1 33421 [1,1,0,0,0,0|0,0,2]=4 609 B10R1.2 NC1=C(CO)C=CC=C1F 20365 [1,1,0,0,0,0|1,0,0]=3 610 B10R1.2 NCC1=C(Cl)C(Cl)=CC=C1 16713 [1,1,0,0,0,0|0,1,0]=3 611 B10R1.2 NCC1=C(Cl)C(F)=CC=C1 31240 [1,1,0,0,0,0|0,0,0]=2 612 B10R1.2 NCC1=C(F)C(Cl)=CC=C1 25441 [1,1,0,0,0,0|0,1,0]=3 613 B10R1.2 NCC1=C(F)C(F)=CC=C1 7356 [1,1,0,0,0,0|0,0,0]=2 614 B10R1.2 NNC1=C(Cl)C(Cl)=CC=C1 7561 [1,1,0,0,0,0|1,1,0]=4 615 B10R1.2 NNC1=C(F)C(Cl)=CC=C1 1081 [1,1,0,0,0,0|1,1,0]=4 616 B10R1.2 O=CC1=C(Br)C(F)=CC=C1 1417 [1,1,0,0,0,0|1,0,1]=4 617 B10R1.2 O=CC1=C(Cl)C(F)=CC=C1 1432 [1,1,0,0,0,0|1,0,1]=4 618 B10R1.2 O=CC1=C(F)C(F)=CC=C1 1436 [1,1,0,0,0,0|1,0,1]=4 619 B10R1.2 O=CC1=C(I)C(F)=CC=C1 1439 [1,1,0,0,0,0|1,0,1]=4 620 B10R1.2 O=CC1=C(O)C(F)=CC=C1 4215 [1,1,0,0,0,0|1,0,1]=4 621 B10R1.2 OCC1=C(Br)C(Cl)=CC=C1 27763 [1,1,0,0,0,0|1,1,0]=4 622 B10R1.2 OCC1=C(Br)C(F)=CC=C1 25799 [1,1,0,0,0,0|1,0,0]=3 623 B10R1.2 OCC1=C(Br)C(I)=CC=C1 31266 [1,1,0,0,0,0|1,1,0]=4 624 B10R1.2 OCC1=C(Cl)C(Br)=CC=C1 31304 [1,1,0,0,0,0|1,1,0]=4 625 B10R1.2 OCC1=C(Cl)C(F)=CC=C1 31268 [1,1,0,0,0,0|1,0,0]=3 626 B10R1.2 OCC1=C(F)C(Br)=CC=C1 19843 [1,1,0,0,0,0|1,1,0]=4 627 B10R1.2 OCC1=C(F)C(F)=CC=C1 7358 [1,1,0,0,0,0|1,0,0]=3 628 B10R1.8 CC1=CC(C#N)=CC(F)=C1 8336 [1,1,0,0,0,0|0,0,2]=4 629 B10R1.8 CC1=CC(C)=CC(CBr)=C1 9979 [1,1,0,0,0,0|2,0,0]=4 630 B10R1.8 CC1=CC(C)=CC(NN)=C1 6407 [1,1,0,0,0,0|2,0,0]=4 631 B10R1.8 CC1=CC(C=O)=CC(F)=C1 1455 [1,1,0,0,0,0|1,0,1]=4 632 B10R1.8 CC1=CC(CBr)=CC(Br)=C1 31367 [1,1,0,0,0,0|1,1,0]=4 633 B10R1.8 CC1=CC(CO)=CC(N)=C1 28795 [1,1,0,0,0,0|2,0,0]=4 634 B10R1.8 CCC1=CC(F)=CC(F)=C1 26498 [1,1,0,0,0,0|0,0,0]=2 635 B10R1.8 COC1=CC(Br)=CC(Br)=C1 2009 [1,1,0,0,0,0|1,1,0]=4 636 B10R1.8 COC1=CC(Br)=CC(Cl)=C1 22130 [1,1,0,0,0,0|1,1,0]=4 637 B10R1.8 COC1=CC(Br)=CC(F)=C1 31138 [1,1,0,0,0,0|1,0,0]=3 638 B10R1.8 COC1=CC(Br)=CC(F)=C1 4128 [1,1,0,0,0,0|1,0,0]=3 639 B10R1.8 COC1=CC(C)=CC(Br)=C1 16436 [1,1,0,0,0,0|1,1,0]=4 640 B10R1.8 COC1=CC(C)=CC(C)=C1 28380 [1,1,0,0,0,0|2,0,0]=4 641 B10R1.8 COC1=CC(C)=CC(Cl)=C1 34222 [1,1,0,0,0,0|1,1,0]=4 642 B10R1.8 COC1=CC(C)=CC(N)=C1 31028 [1,1,0,0,0,0|2,0,0]=4 643 B10R1.8 COC1=CC(Cl)=CC(Cl)=C1 3684 [1,1,0,0,0,0|1,1,0]=4 644 B10R1.8 COC1=CC(Cl)=CC(F)=C1 2661 [1,1,0,0,0,0|1,0,0]=3 645 B10R1.8 COC1=CC(F)=CC(F)=C1 1967 [1,1,0,0,0,0|1,0,0]=3 646 B10R1.8 COC1=CC(F)=NC(F)=C1 29420 [1,1,0,0,0,0|2,0,0]=4 647 B10R1.8 COC1=CC(I)=CC(F)=N1 32977 [1,1,0,0,0,0|2,0,0]=4 648 B10R1.8 COC1=CC(N)=CC(Br)=C1 31040 [1,1,0,0,0,0|1,1,0]=4 649 B10R1.8 COC1=CC(N)=CC(Cl)=C1 31015 [1,1,0,0,0,0|1,1,0]=4 650 B10R1.8 COC1=CC(N)=CC(F)=C1 31082 [1,1,0,0,0,0|1,0,0]=3 651 B10R1.8 COC1=CC(O)=CC(Br)=C1 23048 [1,1,0,0,0,0|1,1,0]=4 652 B10R1.8 COC1=CC(O)=CC(Cl)=C1 16948 [1,1,0,0,0,0|1,1,0]=4 653 B10R1.8 COC1=CC(O)=CC(F)=C1 31095 [1,1,0,0,0,0|1,0,0]=3 654 B10R1.8 CSC1=CC(Br)=CC(F)=C1 27650 [1,1,0,0,0,0|1,0,0]=3 655 B10R1.8 CSC1=CC(Cl)=CC(Cl)=C1 10647 [1,1,0,0,0,0|1,1,0]=4 656 B10R1.8 CSC1=CC(O)=CC(Br)=C1 28076 [1,1,0,0,0,0|1,1,0]=4 657 B10R1.8 Cc1cc(Br)cc(CO)c1 31366 [1,1,0,0,0,0|1,1,0]=4 658 B10R1.8 Cc1cc(C)cc(CN)c1 7407 [1,1,0,0,0,0|1,0,0]=3 659 B10R1.8 ClC1=CC(Cl)=CC(CBr)=C1 27712 [1,1,0,0,0,0|1,1,0]=4 660 B10R1.8 ClCC1=CC(Cl)=CC(Cl)=C1 16695 [1,1,0,0,0,0|1,1,0]=4 661 B10R1.8 FC1=CC(CBr)=CC(Br)=C1 4886 [1,1,0,0,0,0|1,0,0]=3 662 B10R1.8 FC1=CC(CBr)=CC(Cl)=C1 4896 [1,1,0,0,0,0|1,0,0]=3 663 B10R1.8 FC1=CC(F)=CC(CBr)=C1 2245 [1,1,0,0,0,0|1,0,0]=3 664 B10R1.8 N#CC1=CC(Br)=CC(F)=C1 3220 [1,1,0,0,0,0|0,0,2]=4 665 B10R1.8 N#CC1=CC(Cl)=CC(F)=C1 4725 [1,1,0,0,0,0|0,0,2]=4 666 B10R1.8 N#CC1=CC(F)=CC(F)=C1 4761 [1,1,0,0,0,0|0,0,2]=4 667 B10R1.8 N#CC1=CC(F)=CC(I)=C1 8132 [1,1,0,0,0,0|0,0,2]=4 668 B10R1.8 N#CC1=CC(F)=CC(N)=C1 4649 [1,1,0,0,0,0|0,0,2]=4 669 B10R1.8 N#CC1=CC(F)=CC(O)=C1 30786 [1,1,0,0,0,0|0,0,2]=4 670 B10R1.8 NC1=CC(Cl)=CC(CO)=C1 31322 [1,1,0,0,0,0|1,1,0]=4 671 B10R1.8 NCC1=CC(Br)=CC(F)=C1 15205 [1,1,0,0,0,0|0,0,0]=2 672 B10R1.8 NCC1=CC(Br)=CC(F)=C1 3774 [1,1,0,0,0,0|0,0,0]=2 673 B10R1.8 NCC1=CC(Cl)=CC(F)=C1 24785 [1,1,0,0,0,0|0,0,0]=2 674 B10R1.8 NCC1=CC(Cl)=NC(Cl)=C1 19577 [1,1,0,0,0,0|1,1,0]=4 675 B10R1.8 NCC1=CC(F)=CC(F)=C1 4409 [1,1,0,0,0,0|0,0,0]=2 676 B10R1.8 NNC1=CC(Cl)=CC(Cl)=C1 7531 [1,1,0,0,0,0|1,1,0]=4 677 B10R1.8 NNC1=CC(F)=CC(F)=C1 1085 [1,1,0,0,0,0|1,0,0]=3 678 B10R1.8 NNC1=CC(F)=CC(F)=C1 20776 [1,1,0,0,0,0|1,0,0]=3 679 B10R1.8 O=CC1=CC(Br)=CC(F)=C1 1420 [1,1,0,0,0,0|1,0,1]=4 680 B10R1.8 O=CC1=CC(Cl)=CC(F)=C1 2890 [1,1,0,0,0,0|1,0,1]=4 681 B10R1.8 O=CC1=CC(F)=CC(F)=C1 1414 [1,1,0,0,0,0|1,0,1]=4 682 B10R1.8 O=CC1=CC(F)=CC(I)=C1 5252 [1,1,0,0,0,0|1,0,1]=4 683 B10R1.8 O=CC1=CC(F)=CC(O)=C1 28128 [1,1,0,0,0,0|1,0,1]=4 684 B10R1.8 OCC1=CC(Br)=CC(Br)=C1 3864 [1,1,0,0,0,0|1,1,0]=4 685 B10R1.8 OCC1=CC(Br)=CC(F)=C1 4885 [1,1,0,0,0,0|1,0,0]=3 686 B10R1.8 OCC1=CC(Cl)=CC(Cl)=C1 4908 [1,1,0,0,0,0|1,1,0]=4 687 B10R1.8 OCC1=CC(F)=CC(F)=C1 4918 [1,1,0,0,0,0|1,0,0]=3 688 B10R1.8 OCC1=CC(O)=CC(O)=C1 7418 [1,1,0,0,0,0|2,0,0]=4 689 B10R1.30 BrCC1=C(Br)C=CC(I)=C1 31312 [1,1,0,0,0,0|1,1,0]=4 690 B10R1.30 BrCC1=C(I)C=CC(Br)=C1 31317 [1,1,0,0,0,0|1,1,0]=4 691 B10R1.30 C=CC1=C(Br)C=CC(F)=C1 16646 [1,1,0,0,0,0|0,0,2]=4 692 B10R1.30 CC1=C(C#N)C=C(F)C=C1 1551 [1,1,0,0,0,0|0,0,2]=4 693 B10R1.30 CC1=C(C=O)C=C(F)C=C1 1458 [1,1,0,0,0,0|1,0,1]=4 694 B10R1.30 CC1=C(CBr)C=C(F)C=C1 4927 [1,1,0,0,0,0|1,0,0]=3 695 B10R1.30 CC1=C(CBr)C=C(I)C=C1 13831 [1,1,0,0,0,0|1,1,0]=4 696 B10R1.30 CC1=C(CCl)C=C(F)C=C1 4926 [1,1,0,0,0,0|1,0,0]=3 697 B10R1.30 CC1=C(CO)C=C(Br)C=C1 44861 [1,1,0,0,0,0|1,1,0]=4 698 B10R1.30 CC1=C(NN)C=C(F)C=C1 1087 [1,1,0,0,0,0|1,0,0]=3 699 B10R1.30 CC1=CC(CBr)=C(C)C=C1 31376 [1,1,0,0,0,0|2,0,0]=4 700 B10R1.30 CC1=CC(CN)=C(C)C=C1 7405 [1,1,0,0,0,0|1,0,0]=3 701 B10R1.30 CC1=CC(NN)=C(C)C=C1 6400 [1,1,0,0,0,0|2,0,0]=4 702 B10R1.30 CCC1=C(Cl)C=CC(O)=C1 2213 [1,1,0,0,0,0|1,0,0]=3 703 B10R1.30 CCC1=C(F)C=CC(O)=C1 27790 [1,1,0,0,0,0|1,0,0]=3 704 B10R1.30 CCC1=C(I)C=CC(Br)=C1 3773 [1,1,0,0,0,0|0,1,0]=3 705 B10R1.30 CCC1=C(N)C=CC(Br)=C1 23174 [1,1,0,0,0,0|0,1,0]=3 706 B10R1.30 CCC1=C(N)C=CC(Br)=C1 3769 [1,1,0,0,0,0|0,1,0]=3 707 B10R1.30 CCC1=NC(C)=CC=C1O 35102 [1,1,0,0,0,0|2,0,0]=4 708 B10R1.30 CNC1=C(O)C=CC(N)=C1 20872 [1,1,0,0,0,0|2,0,0]=4 709 B10R1.30 CNC1=CC(Br)=CC=C1N 18337 [1,1,0,0,0,0|1,1,0]=4 710 B10R1.30 COC1=C(Br)C=CC(Br)=C1 5357 [1,1,0,0,0,0|1,1,0]=4 711 B10R1.30 COC1=C(Br)C=CC(C)=C1 4136 [1,1,0,0,0,0|2,0,0]=4 712 B10R1.30 COC1=C(Br)C=CC(Cl)=C1 5265 [1,1,0,0,0,0|1,1,0]=4 713 B10R1.30 COC1=C(Br)C=CC(F)=C1 4091 [1,1,0,0,0,0|1,0,0]=3 714 B10R1.30 COC1=C(Br)C=CC(I)=C1 5333 [1,1,0,0,0,0|1,1,0]=4 715 B10R1.30 COC1=C(Br)C=CC(N)=C1 3794 [1,1,0,0,0,0|2,0,0]=4 716 B10R1.30 COC1=C(Br)C=CC(O)=C1 13260 [1,1,0,0,0,0|2,0,0]=4 717 B10R1.30 COC1=C(C)C=CC(Br)=C1 25292 [1,1,0,0,0,0|1,1,0]=4 718 B10R1.30 COC1=C(C)C=CC(C)=C1 5360 [1,1,0,0,0,0|2,0,0]=4 719 B10R1.30 COC1=C(C)C=CC(Cl)=C1 2667 [1,1,0,0,0,0|1,1,0]=4 720 B10R1.30 COC1=C(C)C=CC(F)=C1 2624 [1,1,0,0,0,0|1,0,0]=3 721 B10R1.30 COC1=C(C)C=CC(N)=C1 3329 [1,1,0,0,0,0|2,0,0]=4 722 B10R1.30 COC1=C(Cl)C=CC(Br)=C1 2632 [1,1,0,0,0,0|1,1,0]=4 723 B10R1.30 COC1=C(Cl)C=CC(C)=C1 5299 [1,1,0,0,0,0|2,0,0]=4 724 B10R1.30 COC1=C(Cl)C=CC(Cl)=C1 3681 [1,1,0,0,0,0|1,1,0]=4 725 B10R1.30 COC1=C(Cl)C=CC(F)=C1 2659 [1,1,0,0,0,0|1,0,0]=3 726 B10R1.30 COC1=C(Cl)C=CC(I)=C1 5289 [1,1,0,0,0,0|1,1,0]=4 727 B10R1.30 COC1=C(Cl)C=CC(N)=C1 3659 [1,1,0,0,0,0|2,0,0]=4 728 B10R1.30 COC1=C(Cl)C=CC(O)=C1 28110 [1,1,0,0,0,0|2,0,0]=4 729 B10R1.30 COC1=C(F)C=CC(Br)=C1 18513 [1,1,0,0,0,0|1,1,0]=4 730 B10R1.30 COC1=C(F)C=CC(C)=C1 8487 [1,1,0,0,0,0|2,0,0]=4 731 B10R1.30 COC1=C(F)C=CC(F)=C1 3456 [1,1,0,0,0,0|1,0,0]=3 732 B10R1.30 COC1=C(F)C=CC(N)=C1 14566 [1,1,0,0,0,0|2,0,0]=4 733 B10R1.30 COC1=C(F)C=CC(N)=C1 3022 [1,1,0,0,0,0|2,0,0]=4 734 B10R1.30 COC1=C(F)C=CC(O)=C1 14358 [1,1,0,0,0,0|2,0,0]=4 735 B10R1.30 COC1=C(I)C=CC(Br)=C1 28357 [1,1,0,0,0,0|1,1,0]=4 736 B10R1.30 COC1=C(I)C=CC(Cl)=C1 5293 [1,1,0,0,0,0|1,1,0]=4 737 B10R1.30 COC1=C(I)C=CC(I)=C1 28130 [1,1,0,0,0,0|1,1,0]=4 738 B10R1.30 COC1=C(I)C=CC(N)=C1 5352 [1,1,0,0,0,0|2,0,0]=4 739 B10R1.30 COC1=C(N)C=CC(Br)=C1 2258 [1,1,0,0,0,0|1,1,0]=4 740 B10R1.30 COC1=C(N)C=CC(F)=C1 28343 [1,1,0,0,0,0|1,0,0]=3 741 B10R1.30 COC1=C(N)C=CC(I)=C1 25591 [1,1,0,0,0,0|1,1,0]=4 742 B10R1.30 COC1=C(N)C=CC(O)=C1 18733 [1,1,0,0,0,0|2,0,0]=4 743 B10R1.30 COC1=C(N)C=CC(O)=C1 26950 [1,1,0,0,0,0|2,0,0]=4 744 B10R1.30 COC1=C(O)C=CC(Br)=C1 17271 [1,1,0,0,0,0|1,1,0]=4 745 B10R1.30 COC1=C(O)C=CC(Cl)=C1 3665 [1,1,0,0,0,0|1,1,0]=4 746 B10R1.30 COC1=C(O)C=CC(F)=C1 3880 [1,1,0,0,0,0|1,0,0]=3 747 B10R1.30 COC1=C(O)C=CC(I)=C1 17587 [1,1,0,0,0,0|1,1,0]=4 748 B10R1.30 COC1=C(O)C=CC(N)=C1 14144 [1,1,0,0,0,0|2,0,0]=4 749 B10R1.30 COC1=C(O)C=CC(N)=C1 33372 [1,1,0,0,0,0|2,0,0]=4 750 B10R1.30 ClC1=C(CBr)C=C(I)C=C1 25801 [1,1,0,0,0,0|1,1,0]=4 751 B10R1.30 ClC1=CC(CBr)=C(Cl)C=C1 10208 [1,1,0,0,0,0|1,1,0]=4 752 B10R1.30 ClCC1=C(Cl)C=CC(Br)=C1 22498 [1,1,0,0,0,0|1,1,0]=4 753 B10R1.30 ClCC1=C(Cl)C=CC(I)=C1 27444 [1,1,0,0,0,0|1,1,0]=4 754 B10R1.30 FC1=C(CBr)C=C(Br)C=C1 25800 [1,1,0,0,0,0|1,1,0]=4 755 B10R1.30 FC1=C(CBr)C=C(Cl)C=C1 4899 [1,1,0,0,0,0|1,1,0]=4 756 B10R1.30 FC1=CC(CBr)=C(Br)C=C1 1953 [1,1,0,0,0,0|1,0,0]=3 757 B10R1.30 FC1=CC(CBr)=C(Cl)C=C1 7498 [1,1,0,0,0,0|1,0,0]=3 758 B10R1.30 FC1=CC(CBr)=C(F)C=C1 10213 [1,1,0,0,0,0|1,0,0]=3 759 B10R1.30 FC1=CC(CCl)=C(Br)C=C1 1952 [1,1,0,0,0,0|1,0,0]=3 760 B10R1.30 N#CC1=C(Br)C=CC(F)=C1 3218 [1,1,0,0,0,0|0,0,2]=4 761 B10R1.30 N#CC1=C(Cl)C=CC(F)=C1 1558 [1,1,0,0,0,0|0,0,2]=4 762 B10R1.30 N#CC1=C(F)C=CC(F)=C1 4754 [1,1,0,0,0,0|0,0,2]=4 763 B10R1.30 N#CC1=C(I)C=CC(F)=C1 24331 [1,1,0,0,0,0|0,0,2]=4 764 B10R1.30 N#CC1=C(N)C=CC(F)=C1 4641 [1,1,0,0,0,0|0,0,2]=4 765 B10R1.30 NC1=C(CO)C=C(Cl)C=C1 24123 [1,1,0,0,0,0|1,1,0]=4 766 B10R1.30 NC1=CC(CO)=C(Cl)C=C1 28794 [1,1,0,0,0,0|2,0,0]=4 767 B10R1.30 NCC1=C(Br)C=CC(F)=C1 3225 [1,1,0,0,0,0|0,0,0]=2 768 B10R1.30 NCC1=C(Cl)C=CC(Cl)=C1 23431 [1,1,0,0,0,0|0,1,0]=3 769 B10R1.30 NCC1=C(Cl)C=CC(Cl)=C1 31261 [1,1,0,0,0,0|0,1,0]=3 770 B10R1.30 NCC1=C(Cl)C=CC(F)=C1 4371 [1,1,0,0,0,0|0,0,0]=2 771 B10R1.30 NCC1=C(F)C=CC(Br)=C1 3227 [1,1,0,0,0,0|0,1,0]=3 772 B10R1.30 NCC1=C(F)C=CC(Cl)=C1 4378 [1,1,0,0,0,0|0,1,0]=3 773 B10R1.30 NCC1=C(F)C=CC(F)=C1 4401 [1,1,0,0,0,0|0,0,0]=2 774 B10R1.30 NCc1cc(Br)ccc1Br 31252 [1,1,0,0,0,0|0,1,0]=3 775 B10R1.30 NNC1=C(Cl)C=CC(Cl)=C1 7525 [1,1,0,0,0,0|1,1,0]=4 776 B10R1.30 NNC1=C(Cl)C=CC(F)=C1 28905 [1,1,0,0,0,0|1,0,0]=3 777 B10R1.30 NNC1=C(F)C=CC(Cl)=C1 4471 [1,1,0,0,0,0|1,1,0]=4 778 B10R1.30 NNC1=C(F)C=CC(F)=C1 1082 [1,1,0,0,0,0|1,0,0]=3 779 B10R1.30 NNC1=C(F)C=CC(F)=C1 2467 [1,1,0,0,0,0|1,0,0]=3 780 B10R1.30 O=CC1=C(Br)C=CC(F)=C1 1418 [1,1,0,0,0,0|1,0,1]=4 781 B10R1.30 O=CC1=C(Cl)C=CC(F)=C1 1410 [1,1,0,0,0,0|1,0,1]=4 782 B10R1.30 O=CC1=C(F)C=CC(F)=C1 1437 [1,1,0,0,0,0|1,0,1]=4 783 B10R1.30 O=CC1=C(I)C=CC(F)=C1 1441 [1,1,0,0,0,0|1,0,1]=4 784 B10R1.30 O=CC1=C(O)C=CC(F)=C1 1444 [1,1,0,0,0,0|1,0,1]=4 785 B10R1.30 OCC1=C(Br)C=CC(F)=C1 1963 [1,1,0,0,0,0|1,0,0]=3 786 B10R1.30 OCC1=C(Br)C=CC(I)=C1 27439 [1,1,0,0,0,0|1,1,0]=4 787 B10R1.30 OCC1=C(Cl)C=CC(Br)=C1 4881 [1,1,0,0,0,0|1,1,0]=4 788 B10R1.30 OCC1=C(F)C=CC(Br)=C1 3224 [1,1,0,0,0,0|1,1,0]=4 789 B10R1.30 OCC1=C(F)C=CC(F)=C1 4913 [1,1,0,0,0,0|1,0,0]=3 790 B10R1.30 OCC1=C(I)C=CC(Br)=C1 31316 [1,1,0,0,0,0|1,1,0]=4 791 B10R1.30 OCC1=C(S)C=CC(F)=C1 19636 [1,1,0,0,0,0|1,0,0]=3 792 B10R1.30 OCC1=CC(Br)=CC=C1O 22564 [1,1,0,0,0,0|1,1,0]=4 793 B10R1.30 OCC1=CC(F)=CN=C1Cl 17168 [1,1,0,0,0,0|2,0,0]=4 794 B10R1.113 CC(=O)C1=CC(Br)=CC=C1 3087 [1,1,0,0,0,0|0,1,1]=4 795 B10R1.113 CC(=O)C1=CC(C)=CC=C1 4279 [1,1,0,0,0,0|1,0,1]=4 796 B10R1.113 CC(=O)C1=CC(Cl)=CC=C1 27309 [1,1,0,0,0,0|0,1,1]=4 797 B10R1.113 CC(=O)C1=CC(Cl)=CC=C1 3085 [1,1,0,0,0,0|0,1,1]=4 798 B10R1.113 CC(=O)C1=CC(F)=CC=C1 4232 [1,1,0,0,0,0|0,0,1]=3 799 B10R1.113 CC(=O)C1=CC(F)=CN=C1 34208 [1,1,0,0,0,0|1,0,1]=4 800 B10R1.113 CC(=O)C1=CC(I)=CC=C1 3895 [1,1,0,0,0,0|0,1,1]=4 801 B10R1.113 CC(=O)C1=CC(N)=CC=C1 6391 [1,1,0,0,0,0|1,0,1]=4 802 B10R1.113 CC(=O)C1=CC(O)=CC=C1 3284 [1,1,0,0,0,0|1,0,1]=4 803 B10R1.113 CC(C)C1=CC=CC(Br)=N1 28919 [1,1,0,0,0,0|1,1,0]=4 804 B10R1.113 CC(C)C1=CC=CC(Cl)=N1 10559 [1,1,0,0,0,0|1,1,0]=4 805 B10R1.113 CC(C)C1=NC=CC(Cl)=C1 33540 [1,1,0,0,0,0|1,1,0]=4 806 B10R1.113 CC(C)c1cccc(Br)c1 27489 [1,1,0,0,0,0|0,1,0]=3 807 B10R1.113 CC(N)C1=CC(F)=CC=C1 24339 [1,1,0,0,0,0|0,0,0]=2 808 B10R1.113 CC(O)C1=CC(F)=CC=C1 28823 [1,1,0,0,0,0|0,0,0]=2 809 B10R1.113 CN(C)C1=CC(Br)=CC=C1 3760 [1,1,0,0,0,0|1,1,0]=4 810 B10R1.113 CN(C)C1=CC(Cl)=CC=C1 3637 [1,1,0,0,0,0|1,1,0]=4 811 B10R1.113 CN(C)C1=CC(F)=CC=C1 5244 [1,1,0,0,0,0|1,0,0]=3 812 B10R1.113 CN(C)C1=CC(N)=CC=C1 14991 [1,1,0,0,0,0|2,0,0]=4 813 B10R1.113 CN(C)C1=CC=CC(O)=C1 11072 [1,1,0,0,0,0|2,0,0]=4 814 B10R1.113 C[C@@H](N)C1=CC(Cl)=CC=C1 24741 [1,1,0,0,0,0|0,1,0]=3 815 B10R1.113 C[C@@H](N)C1=CC(F)=CC=C1 24730 [1,1,0,0,0,0|0,0,0]=2 816 B10R1.113 C[C@@H](O)C1=CC(Br)=CC=C1 15565 [1,1,0,0,0,0|0,1,0]=3 817 B10R1.113 C[C@@H](O)C1=CC(Cl)=CC=C1 15577 [1,1,0,0,0,0|0,1,0]=3 818 B10R1.113 C[C@@H](O)C1=CC(F)=CC=C1 24771 [1,1,0,0,0,0|0,0,0]=2 819 B10R1.113 C[C@H](N)C1=CC(Br)=CC=C1 14235 [1,1,0,0,0,0|0,1,0]=3 820 B10R1.113 C[C@H](N)C1=CC(Br)=CC=C1 24746 [1,1,0,0,0,0|0,1,0]=3 821 B10R1.113 C[C@H](N)C1=CC(Cl)=CC=C1 24735 [1,1,0,0,0,0|0,1,0]=3 822 B10R1.113 C[C@H](N)C1=CC(F)=CC=C1 25216 [1,1,0,0,0,0|0,0,0]=2 823 B10R1.113 C[C@H](O)C1=CC(Br)=CC=C1 24772 [1,1,0,0,0,0|0,1,0]=3 824 B10R1.113 C[C@H](O)C1=CC(Cl)=CC=C1 15576 [1,1,0,0,0,0|0,1,0]=3 825 B10R1.113 C[C@H](O)C1=CC(F)=CC=C1 24770 [1,1,0,0,0,0|0,0,0]=2 826 B10R1.113 FC1=CC(C(F)F)=CC=C1 28464 [1,1,0,0,0,0|1,0,0]=3 827 B10R1.113 N=C(N)C1=CC(Br)=CC=C1 25825 [1,1,0,0,0,0|0,1,1]=4 828 B10R1.113 N=C(N)C1=CC(Br)=CC=C1 25933 [1,1,0,0,0,0|0,1,1]=4 829 B10R1.113 NC(=O)C1=CC(Br)=CC=C1 3734 [1,1,0,0,0,0|0,1,1]=4 830 B10R1.113 NC(=O)C1=CC(Cl)=CC=C1 3618 [1,1,0,0,0,0|0,1,1]=4 831 B10R1.113 NC(=O)C1=CC(I)=CC=C1 3301 [1,1,0,0,0,0|0,1,1]=4 832 B10R1.113 NC(=O)C1=CC(N)=CC=C1 28767 [1,1,0,0,0,0|1,0,1]=4 833 B10R1.113 NC(=O)C1=NC=CC(F)=C1 14534 [1,1,0,0,0,0|1,0,1]=4 834 B10R1.113 NC(=S)C1=CC(Cl)=CC=C1 20134 [1,1,0,0,0,0|0,1,1]=4 835 B10R1.113 NC(=S)C1=CC(F)=CC=C1 35675 [1,1,0,0,0,0|0,0,1]=3 836 B10R1.113 O=C(Cl)C1=CC(F)=CC=C1 19742 [1,1,0,0,0,0|1,0,1]=4 837 B10R1.113 O=C(O)C1=CC(F)=CC=C1 3480 [1,1,0,0,0,0|1,0,1]=4 838 B10R1.113 O=[N+]([O-])C1=CC=CC(F)=C1 10642 [1,1,0,0,0,0|2,0,0]=4 839 B10R1.113 OB(O)C1=CC(F)=CC=C1 1857 [1,1,0,0,0,0|2,0,0]=4 840 B10R1.172 BrCC1=CC=CC(CBr)=C1 7491 [1,1,0,0,0,0|1,1,0]=4 841 B10R1.172 CCC1=CC=CC(C#N)=C1 5432 [1,1,0,0,0,0|1,0,0]=3 842 B10R1.172 CCC1=CC=CC(C=O)=C1 3073 [1,1,0,0,0,0|1,0,0]=3 843 B10R1.172 CNC1=CC=CC(NC)=C1 21395 [1,1,0,0,0,0|2,0,0]=4 844 B10R1.172 COC1=CC(CN)=NC=C1 27624 [1,1,0,0,0,0|2,0,0]=4 845 B10R1.172 COC1=CC(CN)=NC=C1 34573 [1,1,0,0,0,0|2,0,0]=4 846 B10R1.172 COC1=CC=CC(C#N)=C1 4813 [1,1,0,0,0,0|2,0,0]=4 847 B10R1.172 COC1=CC=CC(C=O)=C1 13614 [1,1,0,0,0,0|2,0,0]=4 848 B10R1.172 COC1=CC=CC(CBr)=C1 13585 [1,1,0,0,0,0|1,1,0]=4 849 B10R1.172 COC1=CC=CC(CCl)=C1 4653 [1,1,0,0,0,0|1,1,0]=4 850 B10R1.172 COC1=CC=CC(CN)=C1 7401 [1,1,0,0,0,0|1,0,0]=3 851 B10R1.172 COC1=CC=CC(CO)=C1 3095 [1,1,0,0,0,0|2,0,0]=4 852 B10R1.172 COC1=CC=CC(SC)=C1 10653 [1,1,0,0,0,0|2,0,0]=4 853 B10R1.172 CSC1=CC=CC(CCl)=C1 32305 [1,1,0,0,0,0|1,1,0]=4 854 B10R1.172 ClCC1=CC=CC(CCl)=C1 7521 [1,1,0,0,0,0|1,1,0]=4 855 B10R1.172 N#CC1=CC(CN)=CC=C1 18585 [1,1,0,0,0,0|1,0,0]=3 856 B10R1.172 N#CC1=CC=CC(CBr)=C1 15686 [1,1,0,0,0,0|2,0,0]=4 857 B10R1.172 N#CC1=CC=CC(CCl)=C1 10207 [1,1,0,0,0,0|2,0,0]=4 858 B10R1.172 N#CC1=CC=CC(NN)=C1 7560 [1,1,0,0,0,0|2,0,0]=4 859 B10R1.172 N#CC1=CN=CC(CN)=C1 35539 [1,1,0,0,0,0|2,0,0]=4 860 B10R1.172 N#Cc1cccc(CO)c1 30787 [1,1,0,0,0,0|2,0,0]=4 861 B10R1.172 NCC1=CC=CC(CN)=C1 17202 [1,1,0,0,0,0|1,0,0]=3 862 B10R1.172 O=CC1=CC(CBr)=CC=C1 17017 [1,1,0,0,0,0|2,0,0]=4 863 B10R1.172 SCC1=CC=CC(CS)=C1 6869 [1,1,0,0,0,0|2,0,0]=4 864 B10R1.176 CC1=C(Br)C=CC(CBr)=C1 24290 [1,1,0,0,0,0|2,0,0]=4 865 B10R1.176 CC1=C(C)C=C(CCl)C=C1 14890 [1,1,0,0,0,0|2,0,0]=4 866 B10R1.176 CC1=C(C)C=C(CN)C=C1 4412 [1,1,0,0,0,0|1,0,0]=3 867 B10R1.176 CC1=C(C)C=C(CO)C=C1 2161 [1,1,0,0,0,0|2,0,0]=4 868 B10R1.176 CC1=C(C)C=C(NN)C=C1 19865 [1,1,0,0,0,0|2,0,0]=4 869 B10R1.176 CC1=C(C)C=C(NN)C=C1 21448 [1,1,0,0,0,0|2,0,0]=4 870 B10R1.176 CC1=C(C)C=C(NN)C=C1 7555 [1,1,0,0,0,0|2,0,0]=4 871 B10R1.176 CC1=C(Cl)C=C(CN)C=C1 27458 [1,1,0,0,0,0|0,1,0]=3 872 B10R1.176 CC1=C(F)C=C(C#N)C=C1 1557 [1,1,0,0,0,0|0,0,2]=4 873 B10R1.176 CC1=C(F)C=C(C=O)C=C1 1454 [1,1,0,0,0,0|1,0,1]=4 874 B10R1.176 CC1=C(F)C=C(CN)C=C1 16749 [1,1,0,0,0,0|0,0,0]=2 875 B10R1.176 CC1=C(F)C=C(NN)C=C1 3343 [1,1,0,0,0,0|1,0,0]=3 876 B10R1.176 CC1=C(F)C=C(NN)C=C1 4493 [1,1,0,0,0,0|1,0,0]=3 877 B10R1.176 CC1=C(F)C=CC(CN)=C1 4495 [1,1,0,0,0,0|1,0,0]=3 878 B10R1.176 CCC1=CC(Br)=C(N)C=C1 5314 [1,1,0,0,0,0|0,1,0]=3 879 B10R1.176 CCC1=CC(N)=C(O)C=C1 27789 [1,1,0,0,0,0|1,0,0]=3 880 B10R1.176 CCC1=CC(O)=C(Cl)C=C1 3644 [1,1,0,0,0,0|1,0,0]=3 881 B10R1.176 CCC1=CC=C(N)C(N)=C1 31890 [1,1,0,0,0,0|1,0,0]=3 882 B10R1.176 CCC1=CC=C(O)C(O)=C1 28104 [1,1,0,0,0,0|1,0,0]=3 883 B10R1.176 CNC1=CC(Cl)=C(Cl)C=C1 28299 [1,1,0,0,0,0|1,1,0]=4 884 B10R1.176 COC1=CC(Br)=C(Br)C=C1 4110 [1,1,0,0,0,0|1,1,0]=4 885 B10R1.176 COC1=CC(Br)=C(C)C=C1 24319 [1,1,0,0,0,0|1,1,0]=4 886 B10R1.176 COC1=CC(Br)=C(Cl)C=C1 4555 [1,1,0,0,0,0|1,1,0]=4 887 B10R1.176 COC1=CC(Br)=C(F)C=C1 28354 [1,1,0,0,0,0|1,1,0]=4 888 B10R1.176 COC1=CC(Br)=C(N)C=C1 31003 [1,1,0,0,0,0|1,1,0]=4 889 B10R1.176 COC1=CC(Br)=C(N)C=C1 4332 [1,1,0,0,0,0|1,1,0]=4 890 B10R1.176 COC1=CC(Br)=C(O)C=C1 4135 [1,1,0,0,0,0|1,1,0]=4 891 B10R1.176 COC1=CC(C)=C(Br)C=C1 3796 [1,1,0,0,0,0|2,0,0]=4 892 B10R1.176 COC1=CC(C)=C(C)C=C1 5361 [1,1,0,0,0,0|2,0,0]=4 893 B10R1.176 COC1=CC(C)=C(Cl)C=C1 2666 [1,1,0,0,0,0|2,0,0]=4 894 B10R1.176 COC1=CC(C)=C(F)C=C1 2623 [1,1,0,0,0,0|2,0,0]=4 895 B10R1.176 COC1=CC(C)=C(N)C=C1 28347 [1,1,0,0,0,0|2,0,0]=4 896 B10R1.176 COC1=CC(C)=C(O)C=C1 31104 [1,1,0,0,0,0|2,0,0]=4 897 B10R1.176 COC1=CC(C)=C(S)C=C1 6886 [1,1,0,0,0,0|2,0,0]=4 898 B10R1.176 COC1=CC(Cl)=C(Br)C=C1 2631 [1,1,0,0,0,0|1,1,0]=4 899 B10R1.176 COC1=CC(Cl)=C(C)C=C1 4101 [1,1,0,0,0,0|1,1,0]=4 900 B10R1.176 COC1=CC(Cl)=C(Cl)C=C1 3683 [1,1,0,0,0,0|1,1,0]=4 901 B10R1.176 COC1=CC(Cl)=C(F)C=C1 2660 [1,1,0,0,0,0|1,1,0]=4 902 B10R1.176 COC1=CC(Cl)=C(I)C=C1 27614 [1,1,0,0,0,0|1,1,0]=4 903 B10R1.176 COC1=CC(Cl)=C(N)C=C1 27577 [1,1,0,0,0,0|1,1,0]=4 904 B10R1.176 COC1=CC(Cl)=C(O)C=C1 3663 [1,1,0,0,0,0|1,1,0]=4 905 B10R1.176 COC1=CC(F)=C(Br)C=C1 1970 [1,1,0,0,0,0|1,0,0]=3 906 B10R1.176 COC1=CC(F)=C(Br)C=C1 20025 [1,1,0,0,0,0|1,0,0]=3 907 B10R1.176 COC1=CC(F)=C(C)C=C1 2621 [1,1,0,0,0,0|1,0,0]=3 908 B10R1.176 COC1=CC(F)=C(Cl)C=C1 2663 [1,1,0,0,0,0|1,0,0]=3 909 B10R1.176 COC1=CC(F)=C(F)C=C1 3457 [1,1,0,0,0,0|1,0,0]=3 910 B10R1.176 COC1=CC(F)=C(N)C=C1 15755 [1,1,0,0,0,0|1,0,0]=3 911 B10R1.176 COC1=CC(F)=C(O)C=C1 15011 [1,1,0,0,0,0|1,0,0]=3 912 B10R1.176 COC1=CC(I)=C(Br)C=C1 5347 [1,1,0,0,0,0|1,1,0]=4 913 B10R1.176 COC1=CC(I)=C(Cl)C=C1 5291 [1,1,0,0,0,0|1,1,0]=4 914 B10R1.176 COC1=CC(I)=C(N)C=C1 10738 [1,1,0,0,0,0|1,1,0]=4 915 B10R1.176 COC1=CC(N)=C(Br)C=C1 5335 [1,1,0,0,0,0|2,0,0]=4 916 B10R1.176 COC1=CC(N)=C(Br)C=C1 5367 [1,1,0,0,0,0|2,0,0]=4 917 B10R1.176 COC1=CC(N)=C(C)C=C1 19827 [1,1,0,0,0,0|2,0,0]=4 918 B10R1.176 COC1=CC(N)=C(Cl)C=C1 3658 [1,1,0,0,0,0|2,0,0]=4 919 B10R1.176 COC1=CC(N)=C(Cl)C=C1 3660 [1,1,0,0,0,0|2,0,0]=4 920 B10R1.176 COC1=CC(N)=C(F)C=C1 15806 [1,1,0,0,0,0|2,0,0]=4 921 B10R1.176 COC1=CC(N)=C(I)C=C1 31005 [1,1,0,0,0,0|2,0,0]=4 922 B10R1.176 COC1=CC(N)=C(N)C=C1 28370 [1,1,0,0,0,0|2,0,0]=4 923 B10R1.176 COC1=CC(N)=C(N)C=C1 28371 [1,1,0,0,0,0|2,0,0]=4 924 B10R1.176 COC1=CC(O)=C(Br)C=C1 13262 [1,1,0,0,0,0|2,0,0]=4 925 B10R1.176 COC1=CC(O)=C(C)C=C1 31114 [1,1,0,0,0,0|2,0,0]=4 926 B10R1.176 COC1=CC(O)=C(Cl)C=C1 10217 [1,1,0,0,0,0|2,0,0]=4 927 B10R1.176 COC1=CC(O)=C(F)C=C1 33440 [1,1,0,0,0,0|2,0,0]=4 928 B10R1.176 COC1=CC(S)=C(N)C=C1 21901 [1,1,0,0,0,0|2,0,0]=4 929 B10R1.176 COC1=CC=C(O)C(O)=C1 33439 [1,1,0,0,0,0|2,0,0]=4 930 B10R1.176 COc1ccc(Br)c(N)c1 26521 [1,1,0,0,0,0|2,0,0]=4 931 B10R1.176 Cc1ccc(CO)cc1Cl 23926 [1,1,0,0,0,0|1,1,0]=4 932 B10R1.176 ClCC1=CC(Cl)=C(Cl)C=C1 13717 [1,1,0,0,0,0|1,1,0]=4 933 B10R1.176 FC1=C(Br)C=C(CBr)C=C1 26631 [1,1,0,0,0,0|1,1,0]=4 934 B10R1.176 FC1=C(Br)C=CC(CBr)=C1 24015 [1,1,0,0,0,0|1,0,0]=3 935 B10R1.176 FC1=C(Cl)C=C(CBr)C=C1 2130 [1,1,0,0,0,0|1,1,0]=4 936 B10R1.176 FC1=C(Cl)C=CC(CBr)=C1 4898 [1,1,0,0,0,0|1,0,0]=3 937 B10R1.176 FC1=C(Cl)C=CC(CCl)=C1 10205 [1,1,0,0,0,0|1,0,0]=3 938 B10R1.176 FC1=C(F)C=C(CBr)C=C1 4917 [1,1,0,0,0,0|1,0,0]=3 939 B10R1.176 FC1=C(F)C=C(CCl)C=C1 7357 [1,1,0,0,0,0|1,0,0]=3 940 B10R1.176 FC1=C(I)C=CC(CBr)=C1 31348 [1,1,0,0,0,0|1,0,0]=3 941 B10R1.176 N#CC1=CC(F)=C(Br)C=C1 4707 [1,1,0,0,0,0|0,0,2]=4 942 B10R1.176 N#CC1=CC(F)=C(Cl)C=C1 1560 [1,1,0,0,0,0|0,0,2]=4 943 B10R1.176 N#CC1=CC(F)=C(F)C=C1 1562 [1,1,0,0,0,0|0,0,2]=4 944 B10R1.176 N#CC1=CC(F)=C(I)C=C1 4781 [1,1,0,0,0,0|0,0,2]=4 945 B10R1.176 N#CC1=CC(F)=C(N)C=C1 4648 [1,1,0,0,0,0|0,0,2]=4 946 B10R1.176 N#CC1=CC(F)=C(O)C=C1 2610 [1,1,0,0,0,0|0,0,2]=4 947 B10R1.176 NCC1=CC(Br)=C(F)C=C1 3226 [1,1,0,0,0,0|0,1,0]=3 948 B10R1.176 NCC1=CC(Cl)=C(Cl)C=C1 11054 [1,1,0,0,0,0|0,1,0]=3 949 B10R1.176 NCC1=CC(Cl)=C(F)C=C1 4375 [1,1,0,0,0,0|0,1,0]=3 950 B10R1.176 NCC1=CC(F)=C(F)C=C1 1918 [1,1,0,0,0,0|0,0,0]=2 951 B10R1.176 NCC1=CC(O)=C(O)C=C1 21986 [1,1,0,0,0,0|1,0,0]=3 952 B10R1.176 NNC1=CC(Cl)=C(Cl)C=C1 20780 [1,1,0,0,0,0|1,1,0]=4 953 B10R1.176 NNC1=CC(Cl)=C(Cl)C=C1 7530 [1,1,0,0,0,0|1,1,0]=4 954 B10R1.176 NNC1=CC(Cl)=C(F)C=C1 3507 [1,1,0,0,0,0|1,1,0]=4 955 B10R1.176 NNC1=CC(F)=C(F)C=C1 1084 [1,1,0,0,0,0|1,0,0]=3 956 B10R1.176 NNC1=CC(F)=C(F)C=C1 16451 [1,1,0,0,0,0|1,0,0]=3 957 B10R1.176 O=CC1=CC(F)=C(Br)C=C1 4033 [1,1,0,0,0,0|1,0,1]=4 958 B10R1.176 O=CC1=CC(F)=C(Cl)C=C1 1412 [1,1,0,0,0,0|1,0,1]=4 959 B10R1.176 O=CC1=CC(F)=C(F)C=C1 1413 [1,1,0,0,0,0|1,0,1]=4 960 B10R1.176 O=CC1=CC(F)=C(I)C=C1 1440 [1,1,0,0,0,0|1,0,1]=4 961 B10R1.176 O=CC1=CC(F)=C(O)C=C1 1443 [1,1,0,0,0,0|1,0,1]=4 962 B10R1.176 O=CC1=CC(F)=C(O)C=C1 30905 [1,1,0,0,0,0|1,0,1]=4 963 B10R1.176 OCC1=CC(Br)=C(F)C=C1 4884 [1,1,0,0,0,0|1,1,0]=4 964 B10R1.176 OCC1=CC(Cl)=C(Cl)C=C1 20761 [1,1,0,0,0,0|1,1,0]=4 965 B10R1.176 OCC1=CC(F)=C(F)C=C1 4916 [1,1,0,0,0,0|1,0,0]=3 966 B10R1.176 OCC1=CC(F)=C(I)C=C1 31282 [1,1,0,0,0,0|1,0,0]=3 967 B10R1.176 OCC1=CC(O)=C(F)C=C1 35161 [1,1,0,0,0,0|2,0,0]=4 968 B10R1.176 OCC1=CC(O)=C(I)C=C1 28804 [1,1,0,0,0,0|2,0,0]=4 969 B10R1.176 OCC1=CC(O)=C(O)C=C1 3025 [1,1,0,0,0,0|2,0,0]=4 970 B10R1.1 BrCCC1=CC=C(Br)C=C1 16698 [1,1,0,0,0,0|1,0,0]=3 971 B10R1.1 CC1=CC=C(CC#N)C=C1 28873 [1,1,0,0,0,0|0,0,2]=4 972 B10R1.1 CCCC1=CC=C(Br)C=C1 10762 [1,1,0,0,0,0|1,0,0]=3 973 B10R1.1 CCCC1=CC=C(N)C=N1 26082 [1,1,0,0,0,0|2,0,0]=4 974 B10R1.1 CCOC1=CC=C(Br)C=C1 3138 [1,1,0,0,0,0|2,0,0]=4 975 B10R1.1 CCOC1=CC=C(C)C=C1 3181 [1,1,0,0,0,0|2,0,0]=4 976 B10R1.1 CCOC1=CC=C(Cl)C=C1 3165 [1,1,0,0,0,0|2,0,0]=4 977 B10R1.1 CCOC1=CC=C(F)C=C1 3175 [1,1,0,0,0,0|2,0,0]=4 978 B10R1.1 CCOC1=CC=C(I)C=C1 3177 [1,1,0,0,0,0|2,0,0]=4 979 B10R1.1 CCOC1=CC=C(N)C=C1 9511 [1,1,0,0,0,0|2,0,0]=4 980 B10R1.1 CCOC1=CC=C(O)C=C1 9512 [1,1,0,0,0,0|2,0,0]=4 981 B10R1.1 CNCC1=CC=C(C)C=C1 10497 [1,1,0,0,0,0|2,0,0]=4 982 B10R1.1 CNCC1=CC=C(F)C=C1 31250 [1,1,0,0,0,0|2,0,0]=4 983 B10R1.1 ClC1=CC=C(CCBr)C=C1 28821 [1,1,0,0,0,0|1,0,0]=3 984 B10R1.1 ClCCC1=CC=C(Cl)C=C1 28820 [1,1,0,0,0,0|1,0,0]=3 985 B10R1.1 FC1=CC=C(CCBr)C=C1 25674 [1,1,0,0,0,0|1,0,0]=3 986 B10R1.1 FC1=CC=C(CCBr)C=C1 28825 [1,1,0,0,0,0|1,0,0]=3 987 B10R1.1 N#CCC1=CC=C(Br)C=C1 4242 [1,1,0,0,0,0|0,0,2]=4 988 B10R1.1 N#CCC1=CC=C(Cl)C=C1 16502 [1,1,0,0,0,0|0,0,2]=4 989 B10R1.1 N#CCC1=CC=C(F)C=C1 4169 [1,1,0,0,0,0|0,0,2]=4 990 B10R1.1 N#CCC1=CC=C(I)C=C1 19992 [1,1,0,0,0,0|0,0,2]=4 991 B10R1.1 N#CCC1=CC=C(N)C=C1 4233 [1,1,0,0,0,0|0,0,2]=4 992 B10R1.1 N#CCC1=CC=C(O)C=C1 18614 [1,1,0,0,0,0|0,0,2]=4 993 B10R1.1 NC1=CC=C(CCO)C=C1 4580 [1,1,0,0,0,0|1,0,0]=3 994 B10R1.1 NCCC1=CC=C(Br)C=C1 27051 [1,1,0,0,0,0|0,0,0]=2 995 B10R1.1 NCCC1=CC=C(Cl)C=C1 36132 [1,1,0,0,0,0|0,0,0]=2 996 B10R1.1 NCCC1=CC=C(F)C=C1 16712 [1,1,0,0,0,0|0,0,0]=2 997 B10R1.1 NCCC1=CC=C(F)C=C1 29725 [1,1,0,0,0,0|0,0,0]=2 998 B10R1.1 NCCC1=CC=C(N)C=C1 19815 [1,1,0,0,0,0|0,0,0]=2 999 B10R1.1 NCCC1=CC=C(N)C=C1 25418 [1,1,0,0,0,0|0,0,0]=2 1000 B10R1.1 NCCC1=CC=C(O)C=C1 16668 [1,1,0,0,0,0|0,0,0]=2 1001 B10R1.1 O=CCC1=CC=C(Cl)C=C1 26501 [1,1,0,0,0,0|1,0,1]=4 1002 B10R1.1 OC1=CC=C(CCBr)C=C1 2349 [1,1,0,0,0,0|1,0,0]=3 1003 B10R1.1 OCCC1=CC=C(Cl)C=C1 3093 [1,1,0,0,0,0|1,0,0]=3 1004 B10R1.1 OCCC1=CC=C(F)C=C1 4585 [1,1,0,0,0,0|1,0,0]=3 1005 B10R1.1 OCCC1=CC=C(O)C=C1 9418 [1,1,0,0,0,0|1,0,0]=3 1006 B10R1.4 BrCCC1=C(Br)C=CC=C1 16179 [1,1,0,0,0,0|1,0,0]=3 1007 B10R1.4 CC1=C(CC#N)C=CC=C1 32359 [1,1,0,0,0,0|0,0,2]=4 1008 B10R1.4 CCCC1=C(N)C=CC=C1 13695 [1,1,0,0,0,0|1,0,0]=3 1009 B10R1.4 CCOC1=C(Br)C=CC=C1 3136 [1,1,0,0,0,0|2,0,0]=4 1010 B10R1.4 CCOC1=C(C)C=CC=C1 3179 [1,1,0,0,0,0|2,0,0]=4 1011 B10R1.4 CCOC1=C(Cl)C=CC=C1 3158 [1,1,0,0,0,0|2,0,0]=4 1012 B10R1.4 CCOC1=C(F)C=CC=C1 3173 [1,1,0,0,0,0|2,0,0]=4 1013 B10R1.4 CCOC1=C(O)C=CC=C1 9505 [1,1,0,0,0,0|2,0,0]=4 1014 B10R1.4 CCOC1=C(S)C=CC=C1 10527 [1,1,0,0,0,0|2,0,0]=4 1015 B10R1.4 CCSC1=C(Br)C=CC=C1 10531 [1,1,0,0,0,0|2,0,0]=4 1016 B10R1.4 COCC1=C(Br)C=CC=C1 34659 [1,1,0,0,0,0|2,0,0]=4 1017 B10R1.4 ClC1=C(CCBr)C=CC=C1 31587 [1,1,0,0,0,0|1,0,0]=3 1018 B10R1.4 N#CCC1=C(Br)C=CC=C1 12554 [1,1,0,0,0,0|0,0,2]=4 1019 B10R1.4 N#CCC1=C(Cl)C=CC=C1 16503 [1,1,0,0,0,0|0,0,2]=4 1020 B10R1.4 N#CCC1=C(F)C=CC=C1 2611 [1,1,0,0,0,0|0,0,2]=4 1021 B10R1.4 N#CCC1=C(N)C=CC=C1 24591 [1,1,0,0,0,0|0,0,2]=4 1022 B10R1.4 NC1=C(CCO)C=CC=C1 12462 [1,1,0,0,0,0|1,0,0]=3 1023 B10R1.4 NCCC1=C(Br)C=CC=C1 22238 [1,1,0,0,0,0|0,0,0]=2 1024 B10R1.4 NCCC1=C(F)C=CC=C1 27340 [1,1,0,0,0,0|0,0,0]=2 1025 B10R1.4 NCCC1=C(O)C=CC=C1 16394 [1,1,0,0,0,0|0,0,0]=2 1026 B10R1.4 NNCC1=C(F)C=CC=C1 35094 [1,1,0,0,0,0|1,0,0]=3 1027 B10R1.4 NNCc1ccccc1F 34909 [1,1,0,0,0,0|1,0,0]=3 1028 B10R1.4 N\N=C\C1=CC=CC=C1O 22926 [1,1,0,0,0,0|1,0,1]=4 1029 B10R1.4 Nc1ccccc1CCO 22282 [1,1,0,0,0,0|1,0,0]=3 1030 B10R1.4 OCCC1=C(Br)C=CC=C1 16178 [1,1,0,0,0,0|1,0,0]=3 1031 B10R1.4 OCCC1=C(O)C=CC=C1 31971 [1,1,0,0,0,0|1,0,0]=3 1032 B10R1.15 BrCC(Br)C1=CC=CC=C1 13572 [1,1,0,0,0,0|1,0,0]=3 1033 B10R1.15 CC(C#N)C1=CC=CC=C1 12511 [1,1,0,0,0,0|0,0,2]=4 1034 B10R1.15 CC(CBr)C1=CC=CC=C1 3829 [1,1,0,0,0,0|1,0,0]=3 1035 B10R1.15 CC(CN)C1=CC=CC=C1 16143 [1,1,0,0,0,0|0,0,0]=2 1036 B10R1.15 CCC(C)C1=CC=CC=C1 28439 [1,1,0,0,0,0|1,0,0]=3 1037 B10R1.15 CCC(N)C1=CC=CC=C1 21078 [1,1,0,0,0,0|1,0,0]=3 1038 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 5668 [1,1,0,0,0,0|1,0,0]=3 1039 B10R1.15 CN[C@@H](C)C1=CC=CC=C1 18717 [1,1,0,0,0,0|2,0,0]=4 1040 B10R1.15 C[C@H](CN)C1=CC=CC=C1 21084 [1,1,0,0,0,0|0,0,0]=2 1041 B10R1.15 N#CC(N)c1ccccc1 28208 [1,1,0,0,0,0|0,0,2]=4 1042 B10R1.15 NC(CO)C1=NC=CC=C1 18774 [1,1,0,0,0,0|2,0,0]=4 1043 B10R1.15 NCC(=O)C1=CC=CC=C1 10002 [1,1,0,0,0,0|0,0,1]=3 1044 B10R1.15 NCC(=O)C1=CC=CC=C1 21792 [1,1,0,0,0,0|0,0,1]=3 1045 B10R1.15 NCC(=O)C1=CC=CC=C1 3247 [1,1,0,0,0,0|0,0,1]=3 1046 B10R1.15 NCC(O)C1=CC=CC=C1 44911 [1,1,0,0,0,0|0,0,0]=2 1047 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 13836 [1,1,0,0,0,0|0,0,0]=2 1048 B10R1.15 NC[C@H](O)C1=CC=CC=C1 14747 [1,1,0,0,0,0|0,0,0]=2 1049 B10R1.15 NNC(=O)c1ccccc1 21535 [1,1,0,0,0,0|1,0,1]=4 1050 B10R1.15 N[C@@H](CO)c1ccccc1 6081 [1,1,0,0,0,0|1,0,0]=3 1051 B10R1.15 N[C@H](CO)c1ccccc1 6080 [1,1,0,0,0,0|1,0,0]=3 1052 B10R1.15 O=C(CBr)C1=CC=CC=C1 3257 [1,1,0,0,0,0|1,0,1]=4 1053 B10R1.15 O=C(CCl)C1=CC=CC=C1 29268 [1,1,0,0,0,0|1,0,1]=4 1054 B10R1.15 O=C(CF)C1=CC=CC=C1 3472 [1,1,0,0,0,0|1,0,1]=4 1055 B10R1.15 O=C(CO)C1=CC=CC=C1 23011 [1,1,0,0,0,0|1,0,1]=4 1056 B10R1.15 OC[C@@H](O)c1ccccc1 7148 [1,1,0,0,0,0|1,0,0]=3 1057 B10R1.15 OC[C@H](O)c1ccccc1 7146 [1,1,0,0,0,0|1,0,0]=3 1058 B10R1.15 O[C@H](CCl)C1=CC=CC=C1 15578 [1,1,0,0,0,0|1,0,0]=3 1059 B10R1.17 BrCCCC1=CC=CC=C1 3832 [1,1,0,0,0,0|1,0,0]=3 1060 B10R1.17 BrCCOC1=CC=CC=C1 3152 [1,1,0,0,0,0|1,0,0]=3 1061 B10R1.17 C#CCSC1=CC=CC=C1 15323 [1,1,0,0,0,0|1,0,1]=4 1062 B10R1.17 C=CCOC1=CC=CC=C1 29359 [1,1,0,0,0,0|1,0,1]=4 1063 B10R1.17 C=COCC1=CC=CC=C1 36172 [1,1,0,0,0,0|1,0,1]=4 1064 B10R1.17 CCCCC1=CC=CC=C1 13571 [1,1,0,0,0,0|1,0,0]=3 1065 B10R1.17 CCNCC1=NC=CC=C1 23918 [1,1,0,0,0,0|2,0,0]=4 1066 B10R1.17 CNCCC1=CC=NC=C1 14195 [1,1,0,0,0,0|1,0,0]=3 1067 B10R1.17 ClCC#CC1=CC=CC=C1 13578 [1,1,0,0,0,0|1,0,1]=4 1068 B10R1.17 ClCCOC1=CC=CC=C1 3167 [1,1,0,0,0,0|1,0,0]=3 1069 B10R1.17 ClCCSC1=CC=CC=C1 36163 [1,1,0,0,0,0|1,0,0]=3 1070 B10R1.17 ClCOCC1=CC=CC=C1 7566 [1,1,0,0,0,0|1,0,0]=3 1071 B10R1.17 NCCCC1=CC=CN=C1 23791 [1,1,0,0,0,0|1,0,0]=3 1072 B10R1.17 NCCOC1=CC=CC=C1 14773 [1,1,0,0,0,0|0,0,0]=2 1073 B10R1.17 NCCOC1=CC=CC=C1 15299 [1,1,0,0,0,0|0,0,0]=2 1074 B10R1.17 NNCCC1=CC=CC=C1 16246 [1,1,0,0,0,0|0,0,0]=2 1075 B10R1.17 NNCOC1=CC=CN=C1 16450 [1,1,0,0,0,0|2,0,0]=4 1076 B10R1.17 OCC#CC1=CC=CC=C1 13580 [1,1,0,0,0,0|1,0,1]=4 1077 B10R1.17 OCCCC1=CC=CC=C1 15023 [1,1,0,0,0,0|1,0,0]=3 1078 B10R1.17 OCCCC1=CC=CN=C1 13083 [1,1,0,0,0,0|2,0,0]=4 1079 B10R1.17 OCCCC1=CC=NC=C1 13084 [1,1,0,0,0,0|2,0,0]=4 1080 B10R1.17 OCCCC1=NC=CC=C1 13082 [1,1,0,0,0,0|2,0,0]=4 1081 B10R1.17 OCCSC1=CC=CC=C1 10784 [1,1,0,0,0,0|1,0,0]=3 1082 B10R1.17 S=C=NCC1=CC=CC=C1 14549 [1,1,0,0,0,0|1,0,1]=4 1083 B10R1.17 [N-]=[N+]=NCC1=CC=CC=C1 25447 [1,1,0,0,0,0|1,0,1]=4 1084 B10R1.18 CC(C)OC1=CC=CC=C1 13188 [1,1,0,0,0,0|2,0,0]=4 1085 B10R1.18 CC(O)CC1=CC=CC=C1 36130 [1,1,0,0,0,0|1,0,0]=3 1086 B10R1.18 NC(=S)NC1=CC=CC=C1 35672 [1,1,0,0,0,0|1,0,1]=4 1087 B10R1.18 O=C(Cl)CC1=CC=CC=C1 35236 [1,1,0,0,0,0|1,0,1]=4 1088 B10R1.18 O=C([O-])CC1=CC=CC=C1 20019 [1,1,0,0,0,0|1,0,1]=4 1089 B10R1.18 O=[N+]([O-])CC1=CC=CC=C1 16807 [1,1,0,0,0,0|2,0,0]=4 1090 B10R1.18 OB(O)CC1=CC=CC=C1 5320 [1,1,0,0,0,0|2,0,0]=4 1091 B10R1.18 OC(=S)CC1=CC=CC=C1 10786 [1,1,0,0,0,0|1,0,1]=4 1092 B10R1.187 NCCN1C(=O)C=CC1=O 11805 [0,1,0,0,1,0|2,0,0]=4 1093 B10R1.187 NCCN1C(=O)C=CC1=O 11806 [0,1,0,0,1,0|2,0,0]=4 1094 B12R1.24 CCC(=O)C1=C(Br)C(F)=CC=C1 34290 [0,2,0,0,0,0|1,0,1]=4 1095 B12R1.25 CCCOC1=C(F)C(F)=CC=C1 21556 [0,2,0,0,0,0|1,0,0]=3 1096 B12R1.224 CC(C)OC1=CC=CC(F)=C1F 10686 [0,2,0,0,0,0|2,0,0]=4 1097 B12R1.224 CC1=C(CC(=O)O)C=CC=C1F 24112 [0,2,0,0,0,0|1,0,1]=4 1098 B12R1.224 FC1=CC=CC(OC(F)F)=C1Br 31151 [0,2,0,0,0,0|2,0,0]=4 1099 B12R1.224 O=C(O)CC1=C(Cl)C(F)=CC=C1 31456 [0,2,0,0,0,0|1,0,1]=4 1100 B12R1.224 O=C(O)CC1=C(F)C(F)=CC=C1 1916 [0,2,0,0,0,0|1,0,1]=4 1101 B12R1.497 N#CCC1=C(F)C(F)=CC=C1F 28878 [0,2,0,0,0,0|0,0,2]=4 1102 B12R1.542 CCOC1=C(C#N)C(F)=CC=C1 10116 [0,2,0,0,0,0|2,0,0]=4 1103 B12R1.544 CCOC1=C(F)C(F)=C(Br)C=C1 10702 [0,2,0,0,0,0|2,0,0]=4 1104 B12R1.544 N#CCC1=C(Br)C(F)=C(F)C=C1 31515 [0,2,0,0,0,0|0,0,2]=4 1105 B12R1.544 N#CCC1=C(Cl)C(F)=C(F)C=C1 31519 [0,2,0,0,0,0|0,0,2]=4 1106 B12R1.544 N#CCC1=C(F)C(F)=C(Br)C=C1 31527 [0,2,0,0,0,0|0,0,2]=4 1107 B12R1.544 N#CCC1=C(F)C(F)=C(Cl)C=C1 31530 [0,2,0,0,0,0|0,0,2]=4 1108 B12R1.13 CC1=CC(C(CN)CO)=CC=C1 14057 [0,2,0,0,0,0|1,0,0]=3 1109 B12R1.17 CCOC(=O)C1=CC(F)=CC=C1 3470 [0,2,0,0,0,0|1,0,1]=4 1110 B12R1.17 CNC[C@H](O)c1cccc(O)c1 23988 [0,2,0,0,0,0|1,0,0]=3 1111 B12R1.17 N#CCC(=O)C1=CC(F)=CC=C1 12049 [0,2,0,0,0,0|0,0,2]=4 1112 B12R1.17 NC(CCO)C1=CC(Cl)=CC=C1 23460 [0,2,0,0,0,0|1,1,0]=4 1113 B12R1.17 N[C@H](CCO)C1=CC(Cl)=CC=C1 20484 [0,2,0,0,0,0|1,1,0]=4 1114 B12R1.225 O=C(O)C(O)C1=CC(F)=CC=C1 44765 [0,2,0,0,0,0|1,0,1]=4 1115 B12R1.354 CCC(O)C1=C(F)C=CC(Br)=C1 20349 [0,2,0,0,0,0|1,1,0]=4 1116 B12R1.354 O=C(CCl)C1=C(F)C=CC(F)=C1 3268 [0,2,0,0,0,0|1,0,1]=4 1117 B12R1.358 CCC(=O)C1=CC(F)=CC(F)=C1 29166 [0,2,0,0,0,0|1,0,1]=4 1118 B12R1.358 NCC(O)C1=CC(Cl)=CC(Cl)=C1 19374 [0,2,0,0,0,0|0,1,0]=3 1119 B12R1.358 O=C(CBr)C1=CC(F)=CC(F)=C1 29134 [0,2,0,0,0,0|1,0,1]=4 1120 B12R1.367 CC1=C(F)C=C(C(=O)CCl)C=C1 29141 [0,2,0,0,0,0|1,0,1]=4 1121 B12R1.367 NC[C@H](O)C1=CC=C(O)C(O)=C1 6074 [0,2,0,0,0,0|1,0,0]=3 1122 B12R1.367 NC[C@H](O)c1ccc(O)c(O)c1 36477 [0,2,0,0,0,0|1,0,0]=3 1123 B12R1.367 O=C(CBr)C1=CC(F)=C(F)C=C1 2118 [0,2,0,0,0,0|1,0,1]=4 1124 B12R1.367 O=C(CCl)C1=CC(F)=C(F)C=C1 13423 [0,2,0,0,0,0|1,0,1]=4 1125 B12R1.435 COc1cccc(C(=O)CN)c1 20065 [0,2,0,0,0,0|1,0,1]=4 1126 B12R1.435 N#Cc1cccc(C(=O)CN)c1 20061 [0,2,0,0,0,0|1,0,1]=4 1127 B12R1.28 CC1=CC=CC(OCCCN)=C1 19189 [0,2,0,0,0,0|1,0,0]=3 1128 B12R1.28 NCCCOC1=CC(Cl)=CC=C1 19181 [0,2,0,0,0,0|0,1,0]=3 1129 B12R1.28 NCCCOC1=CC(F)=CC=C1 19165 [0,2,0,0,0,0|0,0,0]=2 1130 B12R1.50 COC(=O)CC1=CC(F)=CC=C1 28864 [0,2,0,0,0,0|1,0,1]=4 1131 B12R1.50 O=C(CCl)NC1=CC(F)=CC=C1 8398 [0,2,0,0,0,0|1,0,1]=4 1132 B12R1.100 CCCCC1=CC(F)=CC(F)=C1 26500 [0,2,0,0,0,0|1,0,0]=3 1133 B12R1.226 O=C(O)CCC1=CC(Br)=CC=C1 25873 [0,2,0,0,0,0|1,1,0]=4 1134 B12R1.226 O=C(O)CCC1=CC(Cl)=CC=C1 25814 [0,2,0,0,0,0|1,1,0]=4 1135 B12R1.226 O=C(O)CCC1=CC(F)=CC=C1 13947 [0,2,0,0,0,0|1,0,0]=3 1136 B12R1.226 O=C(O)CCC1=CC(O)=CC=C1 26050 [0,2,0,0,0,0|2,0,0]=4 1137 B12R1.226 O=C(O)COC1=CC(F)=CC=C1 19211 [0,2,0,0,0,0|1,0,1]=4 1138 B12R1.385 CC1=C(O)C=C(NCCO)C=C1 22014 [0,2,0,0,0,0|2,0,0]=4 1139 B12R1.385 CCCOC1=CC=C(N)C(N)=C1 2152 [0,2,0,0,0,0|2,0,0]=4 1140 B12R1.385 CCCSC1=CC=C(N)C(N)=C1 44716 [0,2,0,0,0,0|2,0,0]=4 1141 B12R1.41 COC1=CC(CC#N)=CC(F)=C1 25413 [0,2,0,0,0,0|0,0,2]=4 1142 B12R1.44 N#CCC1=CC(F)=C(F)C(F)=C1 28880 [0,2,0,0,0,0|0,0,2]=4 1143 B12R1.101 CC1=CC(CC(=O)O)=CC(F)=C1 31478 [0,2,0,0,0,0|1,0,1]=4 1144 B12R1.101 FC1=CC(OC(F)F)=CC(Br)=C1 31167 [0,2,0,0,0,0|2,0,0]=4 1145 B12R1.101 O=C(O)CC1=CC(Br)=CC(F)=C1 31477 [0,2,0,0,0,0|1,0,1]=4 1146 B12R1.101 O=C(O)CC1=CC(Cl)=CC(F)=C1 4266 [0,2,0,0,0,0|1,0,1]=4 1147 B12R1.101 O=C(O)CC1=CC(F)=CC(F)=C1 4160 [0,2,0,0,0,0|1,0,1]=4 1148 B12R1.19 CC1=C(Br)C=CC(CC(C)C)=C1 35294 [0,2,0,0,0,0|2,0,0]=4 1149 B12R1.19 CC1=C(F)C=C(CC(=O)O)C=C1 5864 [0,2,0,0,0,0|1,0,1]=4 1150 B12R1.19 NC1=C(F)C=C(CC(=O)O)C=C1 16866 [0,2,0,0,0,0|1,0,1]=4 1151 B12R1.19 O=C(O)CC1=CC(F)=C(Br)C=C1 35106 [0,2,0,0,0,0|1,0,1]=4 1152 B12R1.19 O=C(O)CC1=CC(F)=C(Cl)C=C1 4301 [0,2,0,0,0,0|1,0,1]=4 1153 B12R1.19 O=C(O)CC1=CC(F)=C(F)C=C1 4154 [0,2,0,0,0,0|1,0,1]=4 1154 B12R1.19 O=C(O)CC1=CC(F)=C(I)C=C1 31430 [0,2,0,0,0,0|1,0,1]=4 1155 B12R1.19 O=C(O)CC1=CC(F)=C(O)C=C1 26176 [0,2,0,0,0,0|1,0,1]=4 1156 B12R1.119 Fc1cccc(OC(F)(F)F)c1 4618 [0,2,0,0,0,0|2,0,0]=4 1157 B12R1.119 O=S(=O)(Cl)CC1=CC(F)=CC=C1 10052 [0,2,0,0,0,0|2,0,0]=4 1158 B12R1.127 CC1=CC(CC(C)C)=C(Br)C=C1 35270 [0,2,0,0,0,0|2,0,0]=4 1159 B12R1.127 FC1=CC(OC(F)F)=C(Br)C=C1 31135 [0,2,0,0,0,0|2,0,0]=4 1160 B12R1.127 O=C(O)CC1=C(Br)C=CC(F)=C1 16327 [0,2,0,0,0,0|1,0,1]=4 1161 B12R1.127 O=C(O)CC1=C(Cl)C=CC(F)=C1 2711 [0,2,0,0,0,0|1,0,1]=4 1162 B12R1.127 O=C(O)CC1=C(F)C=CC(F)=C1 4151 [0,2,0,0,0,0|1,0,1]=4 1163 B12R1.1123 N#CCC1=C(F)C=C(F)C(F)=C1 4206 [0,2,0,0,0,0|0,0,2]=4 1164 B12R1.1123 OCCC1=C(F)C=C(F)C(F)=C1 28827 [0,2,0,0,0,0|1,0,0]=3 1165 B12R1.279 NCCC1=CC([N+](=O)[O-])=CC=C1 19822 [0,2,0,0,0,0|1,0,0]=3 1166 B12R1.279 NCCC1=CC([N+](=O)[O-])=CC=C1 22244 [0,2,0,0,0,0|1,0,0]=3 1167 B12R1.286 COC1=C(O)C=CC(CCN)=C1 34925 [0,2,0,0,0,0|1,0,0]=3 1168 B12R1.288 COC1=C(O)C=C(CCN)C=C1 19594 [0,2,0,0,0,0|1,0,0]=3 1169 B10R1.25 NCC1=C(Cl)C=C(F)C=C1 25411 [0,0,1,1,0,0|1,0,1]=4 1170 B10R1.25 NCC1=C(F)C=C(F)C=C1 4399 [0,0,1,1,0,0|1,0,1]=4 1171 B10R1.245 NCC1=C(Cl)C=CC=C1F 19391 [0,0,1,1,0,0|1,0,1]=4 1172 B10R1.245 NCC1=C(F)C=CC=C1F 2235 [0,0,1,1,0,0|1,0,1]=4 1173 B10R1.245 NCC1=C(N)C=CC=C1F 4705 [0,0,1,1,0,0|1,0,1]=4 1174 B10R2.6 C1=CC=C(C2CC2)C=C1 19698 [1,0,0,1,0,0|1,0,0]=3 1175 B10R2.6 C1=CC=C([C@@H]2CO2)C=C1 5831 [1,0,0,1,0,0|1,0,0]=3 1176 B10R2.6 C1=CC=C([C@H]2CO2)C=C1 5835 [1,0,0,1,0,0|1,0,0]=3 1177 B10R2.7 C1=CC2=C(C=C1)NC=N2 11074 [1,0,0,1,0,0|1,0,1]=4 1178 B10R2.7 C1=CC2=C(C=C1)NN=N2 16004 [1,0,0,1,0,0|2,0,0]=4 1179 B10R2.7 C1=CC2=C(C=C1)OCC2 6931 [1,0,0,1,0,0|1,0,0]=3 1180 B10R2.7 C1=CC2=C(C=C1)OCO2 2537 [1,0,0,1,0,0|2,0,0]=4 1181 B10R2.7 C1=CC=C2CC=CC2=C1 20728 [1,0,0,1,0,0|1,0,1]=4 1182 B10R2.7 C1=CC=C2CCCC2=C1 20379 [1,0,0,1,0,0|1,0,0]=3 1183 B10R2.7 C1=CC=C2CNCC2=C1 16248 [1,0,0,1,0,0|2,0,0]=4 1184 B10R2.7 C1=CC=C2CNCC2=C1 16512 [1,0,0,1,0,0|2,0,0]=4 1185 B10R2.7 C1=CC=C2CNCC2=C1 33470 [1,0,0,1,0,0|2,0,0]=4 1186 B10R2.7 C1=CC=C2NCCC2=C1 7502 [1,0,0,1,0,0|0,0,0]=2 1187 B10R2.7 C1=CC=C2NN=CC2=C1 15665 [1,0,0,1,0,0|1,0,1]=4 1188 B10R2.7 C1=CN=C2CCCC2=C1 15900 [1,0,0,1,0,0|2,0,0]=4 1189 B10R2.7 C1=CN=C2NCCC2=C1 18022 [1,0,0,1,0,0|1,0,0]=3 1190 B10R2.7 C1=NC=C2NCCC2=C1 18023 [1,0,0,1,0,0|1,0,0]=3 1191 B10R2.320 BrC1CC2=CC=CC=C21 36330 [1,0,0,1,0,0|1,0,0]=3 1192 B12R2.82 FC1=C(F)C2=C(C=C1)N=CN2 6521 [0,1,0,1,0,0|1,0,1]=4 1193 B12R2.82 FC1=CC=C2C=NNC2=C1F 34507 [0,1,0,1,0,0|1,0,1]=4 1194 B12R2.82 FC1=CC=C2NC=CC2=C1Br 26143 [0,1,0,1,0,0|0,0,2]=4 1195 B12R2.82 FC1=CC=C2NC=CC2=C1F 4560 [0,1,0,1,0,0|0,0,2]=4 1196 B12R2.82 FC1=CC=C2NN=CC2=C1Br 28062 [0,1,0,1,0,0|1,0,1]=4 1197 B12R2.202 NC1=NC2=C(C=CC=C2F)S1 21849 [0,1,0,1,0,0|1,0,1]=4 1198 B12R2.202 NC1=NC2=C(S1)C(F)=CC=C2 28930 [0,1,0,1,0,0|1,0,1]=4 1199 B12R2.202 O=C1CC2=CC=CC(Br)=C2N1 8934 [0,1,0,1,0,0|0,1,1]=4 1200 B12R2.202 O=C1CC2=CC=CC(Cl)=C2N1 8305 [0,1,0,1,0,0|0,1,1]=4 1201 B12R2.202 O=C1CC2=CC=CC(F)=C2C1 18006 [0,1,0,1,0,0|1,0,1]=4 1202 B12R2.202 O=C1CC2=CC=CC(F)=C2N1 8552 [0,1,0,1,0,0|0,0,1]=3 1203 B12R2.202 O=C1NC2=C(C=CC=C2F)S1 21838 [0,1,0,1,0,0|1,0,1]=4 1204 B12R2.1081 BrC1=C2CCCNC2=CC=C1 24714 [0,1,0,1,0,0|1,1,0]=4 1205 B12R2.1081 BrC1=C2CCNCC2=CC=C1 24723 [0,1,0,1,0,0|1,1,0]=4 1206 B12R2.1081 BrC1=C2CNCCC2=CC=C1 24728 [0,1,0,1,0,0|0,1,0]=3 1207 B12R2.1081 BrC1=CN=CC2=C1NCCO2 27171 [0,1,0,1,0,0|1,1,0]=4 1208 B12R2.1081 ClC1=C2CCCNC2=CC=C1 27777 [0,1,0,1,0,0|1,1,0]=4 1209 B12R2.1081 ClC1=C2NCCCC2=CC=C1 27930 [0,1,0,1,0,0|0,1,0]=3 1210 B12R2.1081 FC1=C2CCCNC2=CC=C1 33719 [0,1,0,1,0,0|1,0,0]=3 1211 B12R2.1081 FC1=C2CCCNC2=CC=C1 33720 [0,1,0,1,0,0|1,0,0]=3 1212 B12R2.1081 FC1=CC=CC2=C1NCCO2 34402 [0,1,0,1,0,0|0,0,0]=2 1213 B12R2.1081 NC1=CC=CC2=C1OCCO2 34197 [0,1,0,1,0,0|2,0,0]=4 1214 B12R2.1081 OC1=C2NCCCC2=CC=C1 12789 [0,1,0,1,0,0|1,0,0]=3 1215 B12R2.1081 OC1=CC=CC2=C1CCCC2 22497 [0,1,0,1,0,0|2,0,0]=4 1216 B12R2.1081 OC1=CC=CC2=C1OCCN2 27893 [0,1,0,1,0,0|2,0,0]=4 1217 B12R2.1081 OC1=CC=CC2=C1OCCO2 34482 [0,1,0,1,0,0|2,0,0]=4 1218 B12R2.132 CC1=CNC2=CC=C(F)C=C12 1686 [0,1,0,1,0,0|0,0,2]=4 1219 B12R2.132 CC1=NNC2=CC=C(F)C=C21 28054 [0,1,0,1,0,0|1,0,1]=4 1220 B12R2.132 FC1=CC=C2NN=C(Br)C2=C1 33036 [0,1,0,1,0,0|1,0,1]=4 1221 B12R2.132 FC1=CC=C2NN=C(I)C2=C1 33037 [0,1,0,1,0,0|1,0,1]=4 1222 B12R2.132 NC1=NNC2=CC=C(F)C=C21 32560 [0,1,0,1,0,0|1,0,1]=4 1223 B12R2.132 NC1CCC2=CC=C(O)C=C21 23073 [0,1,0,1,0,0|2,0,0]=4 1224 B12R2.132 N[C@@H]1CCc2ccc(O)cc21 23068 [0,1,0,1,0,0|2,0,0]=4 1225 B12R2.132 O=C1CCC2=CC=C(F)C=C12 8856 [0,1,0,1,0,0|1,0,1]=4 1226 B12R2.132 O=S1CNC2=C1C=C(Cl)C=C2 21833 [0,1,0,1,0,0|1,1,0]=4 1227 B12R2.196 CC1=NNC2=C(F)C=CC=C12 28046 [0,1,0,1,0,0|1,0,1]=4 1228 B12R2.196 FC1=C2NN=C(Br)C2=CC=C1 33032 [0,1,0,1,0,0|1,0,1]=4 1229 B12R2.196 FC1=C2NN=C(I)C2=CC=C1 33033 [0,1,0,1,0,0|1,0,1]=4 1230 B12R2.196 O=C1CCC2=C(F)C=CC=C12 13785 [0,1,0,1,0,0|1,0,1]=4 1231 B12R2.1282 NC1(C2=CC(Br)=CC=C2)CC1 23874 [0,1,0,1,0,0|1,1,0]=4 1232 B12R2.24 BrC1=CC2=C(C=C1)NCCO2 22676 [0,1,0,1,0,0|0,1,0]=3 1233 B12R2.24 BrC1=CC2=C(C=C1)OCCN2 17444 [0,1,0,1,0,0|1,1,0]=4 1234 B12R2.24 BrC1=CC2=C(C=C1)OCCO2 3736 [0,1,0,1,0,0|1,1,0]=4 1235 B12R2.24 BrC1=CC2=C(N=C1)NCCO2 18740 [0,1,0,1,0,0|1,1,0]=4 1236 B12R2.24 BrC1=CC=C2CCCNC2=C1 25212 [0,1,0,1,0,0|1,1,0]=4 1237 B12R2.24 BrC1=CC=C2CCCOC2=C1 34276 [0,1,0,1,0,0|1,1,0]=4 1238 B12R2.24 BrC1=CC=C2CCNCC2=C1 24727 [0,1,0,1,0,0|1,1,0]=4 1239 B12R2.24 BrC1=CC=C2CNCCC2=C1 24726 [0,1,0,1,0,0|0,1,0]=3 1240 B12R2.24 BrC1=CC=C2COCCC2=C1 27929 [0,1,0,1,0,0|1,1,0]=4 1241 B12R2.24 BrC1=CC=C2NCCCC2=C1 24715 [0,1,0,1,0,0|0,1,0]=3 1242 B12R2.24 BrC1=CC=C2OCCCC2=C1 34593 [0,1,0,1,0,0|1,1,0]=4 1243 B12R2.24 BrC1=NC2=C(C=C1)CNCC2 34257 [0,1,0,1,0,0|1,1,0]=4 1244 B12R2.24 ClC1=CC2=C(C=C1)NCCO2 34210 [0,1,0,1,0,0|0,1,0]=3 1245 B12R2.24 ClC1=CC2=C(C=C1)OCCN2 27891 [0,1,0,1,0,0|1,1,0]=4 1246 B12R2.24 ClC1=CC=C2CCCNC2=C1 34604 [0,1,0,1,0,0|1,1,0]=4 1247 B12R2.24 ClC1=CC=C2CCNCC2=C1 31894 [0,1,0,1,0,0|1,1,0]=4 1248 B12R2.24 ClC1=NC2=C(C=C1)CNCC2 14855 [0,1,0,1,0,0|1,1,0]=4 1249 B12R2.24 FC1=CC=C2CCNCC2=C1 31895 [0,1,0,1,0,0|1,0,0]=3 1250 B12R2.24 FC1=CC=C2CNCCC2=C1 35560 [0,1,0,1,0,0|0,0,0]=2 1251 B12R2.24 FC1=CC=C2NCCCC2=C1 27932 [0,1,0,1,0,0|0,0,0]=2 1252 B12R2.24 IC1=NC2=C(C=C1)NCCO2 26891 [0,1,0,1,0,0|1,1,0]=4 1253 B12R2.24 NC1=CC2=C(C=C1)NCCO2 33680 [0,1,0,1,0,0|1,0,0]=3 1254 B12R2.24 NC1=CC2=C(C=C1)OCCO2 31954 [0,1,0,1,0,0|2,0,0]=4 1255 B12R2.24 NC1=CC=C2CCCNC2=C1 5887 [0,1,0,1,0,0|2,0,0]=4 1256 B12R2.24 NC1=CC=C2CCNCC2=C1 34159 [0,1,0,1,0,0|2,0,0]=4 1257 B12R2.24 OC1=CC2=C(C=C1)CCCC2 15404 [0,1,0,1,0,0|2,0,0]=4 1258 B12R2.24 OC1=CC2=C(C=C1)NCCO2 27735 [0,1,0,1,0,0|1,0,0]=3 1259 B12R2.24 OC1=CC2=C(C=C1)OCCN2 20876 [0,1,0,1,0,0|2,0,0]=4 1260 B12R2.24 OC1=CC=C2CCCNC2=C1 12787 [0,1,0,1,0,0|2,0,0]=4 1261 B12R2.24 OC1=CC=C2CNCCC2=C1 13941 [0,1,0,1,0,0|1,0,0]=3 1262 B12R2.24 OC1=CC=C2CNCCC2=C1 8301 [0,1,0,1,0,0|1,0,0]=3 1263 B12R2.24 OC1=CC=C2NCCCC2=C1 12785 [0,1,0,1,0,0|1,0,0]=3 1264 B12R2.24 OC1=CC=C2OCCCC2=C1 25609 [0,1,0,1,0,0|2,0,0]=4 1265 B12R2.203 CC1=C2C(=O)CCC2=CC=C1 19846 [0,1,0,1,0,0|2,0,0]=4 1266 B12R2.203 NC1=NNC2=CC=CC(F)=C21 32559 [0,1,0,1,0,0|1,0,1]=4 1267 B12R2.203 O=C1CCC2=CC=CC(Br)=C12 13776 [0,1,0,1,0,0|1,1,0]=4 1268 B12R2.203 O=C1CCC2=CC=CC(Cl)=C12 13780 [0,1,0,1,0,0|1,1,0]=4 1269 B12R2.203 O=C1CCC2=CC=CC(O)=C12 23254 [0,1,0,1,0,0|2,0,0]=4 1270 B12R2.203 O=C1COC2=C1C(F)=CC=C2 17972 [0,1,0,1,0,0|1,0,1]=4 1271 B12R2.612 CC1=CC=C2C(=O)CCC2=C1 8850 [0,1,0,1,0,0|2,0,0]=4 1272 B12R2.612 CC1NCC2=CC(Br)=CC=C21 11459 [0,1,0,1,0,0|1,1,0]=4 1273 B12R2.612 CC1NCC2=CC(Br)=CC=C21 16791 [0,1,0,1,0,0|1,1,0]=4 1274 B12R2.612 CN1C=CC2=CC(F)=CC=C21 16044 [0,1,0,1,0,0|0,0,2]=4 1275 B12R2.612 C[C@H]1NCC2=CC(Br)=CC=C21 11460 [0,1,0,1,0,0|1,1,0]=4 1276 B12R2.612 NC1=CC=C2C(=O)CCC2=C1 14476 [0,1,0,1,0,0|2,0,0]=4 1277 B12R2.612 NC1COC2=C1C=CC(Br)=C2 17825 [0,1,0,1,0,0|0,1,0]=3 1278 B12R2.612 NC1COC2=C1C=CC(Br)=C2 23149 [0,1,0,1,0,0|0,1,0]=3 1279 B12R2.612 O=C1CCC2=CC(Br)=CC=C12 8853 [0,1,0,1,0,0|1,1,0]=4 1280 B12R2.612 O=C1CCC2=CC(Cl)=CC=C12 2250 [0,1,0,1,0,0|1,1,0]=4 1281 B12R2.612 O=C1CCC2=CC(F)=CC=C12 2388 [0,1,0,1,0,0|1,0,0]=3 1282 B12R2.612 O=C1CCC2=CC(I)=CC=C12 17862 [0,1,0,1,0,0|1,1,0]=4 1283 B12R2.612 O=C1CCC2=CC(O)=CC=C12 8857 [0,1,0,1,0,0|2,0,0]=4 1284 B12R2.612 O=C1NCC2=CC(F)=CC=C12 31701 [0,1,0,1,0,0|1,0,1]=4 1285 B12R2.246 FC1=C2NN=CC2=CC(Br)=C1 32525 [0,1,0,1,0,0|1,0,1]=4 1286 B12R2.246 FC1=CC(F)=C2CCNC2=C1 7776 [0,1,0,1,0,0|2,0,0]=4 1287 B12R2.246 FC1=CC(F)=C2NC=CC2=C1 4562 [0,1,0,1,0,0|0,0,2]=4 1288 B12R2.246 FC1=CC2=C(OCC2)C(F)=C1 6928 [0,1,0,1,0,0|1,0,0]=3 1289 B12R2.606 CC1=CC2=CC(F)=CC=C2N1 2158 [0,1,0,1,0,0|0,0,2]=4 1290 B12R2.606 CC1=CC=C2NC(=O)CC2=C1 8314 [0,1,0,1,0,0|1,0,1]=4 1291 B12R2.606 NC1=CC=C2NC(=O)CC2=C1 7209 [0,1,0,1,0,0|1,0,1]=4 1292 B12R2.606 NC1=NC2=C(C=C(F)C=C2)S1 14467 [0,1,0,1,0,0|1,0,1]=4 1293 B12R2.606 NC1=NC2=C(C=CC(F)=C2)O1 21895 [0,1,0,1,0,0|1,0,1]=4 1294 B12R2.606 NC1=NC2=C(C=CC(F)=C2)S1 21850 [0,1,0,1,0,0|1,0,1]=4 1295 B12R2.606 NC1CC2=CC=C(Br)C=C2C1 34824 [0,1,0,1,0,0|0,1,0]=3 1296 B12R2.606 NC1CC2=CC=C(I)C=C2C1 19968 [0,1,0,1,0,0|0,1,0]=3 1297 B12R2.606 NC1CC2=CC=C(I)C=C2C1 25849 [0,1,0,1,0,0|0,1,0]=3 1298 B12R2.606 O=C1CC2=CC(Br)=CC=C2N1 7169 [0,1,0,1,0,0|0,1,1]=4 1299 B12R2.606 O=C1CC2=CC(Cl)=CC=C2N1 1673 [0,1,0,1,0,0|0,1,1]=4 1300 B12R2.606 O=C1CC2=CC(F)=CC=C2N1 1687 [0,1,0,1,0,0|0,0,1]=3 1301 B12R2.606 O=C1CC2=CC(O)=CC=C2N1 7348 [0,1,0,1,0,0|1,0,1]=4 1302 B12R2.606 O=C1CC2=CC=C(F)C=C2C1 18032 [0,1,0,1,0,0|1,0,1]=4 1303 B12R2.606 O=C1NC2=C(C=C(F)C=C2)S1 21837 [0,1,0,1,0,0|1,0,1]=4 1304 B12R2.606 OC1CC2=CC=C(Br)C=C2C1 34825 [0,1,0,1,0,0|1,1,0]=4 1305 B12R2.221 FC1=C2C=CNC2=C(F)C=C1 7181 [0,1,0,1,0,0|0,0,2]=4 1306 B12R2.221 FC1=C2NC=CC2=C(Br)C=C1 26142 [0,1,0,1,0,0|0,0,2]=4 1307 B12R2.221 FC1=C2NN=CC2=C(Br)C=C1 28057 [0,1,0,1,0,0|1,0,1]=4 1308 B12R2.43 O=Cc1cccc(C2CC2)c1 24585 [0,1,0,1,0,0|2,0,0]=4 1309 B12R2.44 COC1=CC=C2NCCC2=C1 8318 [0,1,0,1,0,0|1,0,0]=3 1310 B12R2.44 ClCC1=CC2=C(C=C1)OCC2 7796 [0,1,0,1,0,0|1,1,0]=4 1311 B12R2.44 NCC1=CC2=C(C=C1)OCC2 6985 [0,1,0,1,0,0|2,0,0]=4 1312 B12R2.44 O=CC1=CC2=C(C=C1)OCC2 13007 [0,1,0,1,0,0|2,0,0]=4 1313 B12R2.44 O=CC1=CC=C2CCCC2=C1 21537 [0,1,0,1,0,0|2,0,0]=4 1314 B12R2.44 OCC1=CC2=C(C=C1)OCC2 7802 [0,1,0,1,0,0|2,0,0]=4 1315 B12R2.315 N#CC1=C2NCCC2=CC=C1 19388 [0,1,0,1,0,0|1,0,0]=3 1316 B12R2.315 O=CC1=CC=CC2=C1OCC2 33772 [0,1,0,1,0,0|2,0,0]=4 1317 B12R2.100 FC1=C(Br)C=C2NN=CC2=C1 18070 [0,1,0,1,0,0|1,0,1]=4 1318 B12R2.100 FC1=C(Cl)C=C2NC=CC2=C1 7290 [0,1,0,1,0,0|0,0,2]=4 1319 B12R2.100 FC1=C(F)C=C2NC=CC2=C1 1675 [0,1,0,1,0,0|0,0,2]=4 1320 B12R2.100 FC1=CC2=C(C=C1Cl)NN=N2 2193 [0,1,0,1,0,0|2,0,0]=4 1321 B12R2.100 OC1=C(F)C=C2C=NNC2=C1 28059 [0,1,0,1,0,0|1,0,1]=4 1322 B12R2.100 OC1=C(O)C=C2NCCC2=C1 17376 [0,1,0,1,0,0|1,0,0]=3 1323 B8R1.1 CC1=CC=C(CN)O1 6995 [1,0,0,0,1,0|2,0,0]=4 1324 B8R1.1 NCC1=CC(Br)=CS1 17856 [1,0,0,0,1,0|1,1,0]=4 1325 B8R1.11 NCC1=C(Br)SC=C1 5276 [1,0,0,0,1,0|1,1,0]=4 1326 B8R1.8 NCCC1=CC=CS1 5579 [1,0,0,0,1,0|1,0,0]=3 1327 B8R1.8 NCCC1=CC=CS1 8859 [1,0,0,0,1,0|1,0,0]=3 1328 B8R1.8 NCCC1=CNC=N1 9893 [1,0,0,0,1,0|2,0,0]=4 1329 B8R1.8 NCCC1=CSC=C1 14605 [1,0,0,0,1,0|1,0,0]=3 1330 B8R1.8 NCCC1=CSC=C1 24381 [1,0,0,0,1,0|1,0,0]=3 1331 B8R1.8 NCCC1=NC=CN1 24954 [1,0,0,0,1,0|2,0,0]=4 1332 B8R1.8 NCCN1C=CN=C1 12985 [1,0,0,0,1,0|2,0,0]=4 1333 B8R1.8 NCCN1C=CN=C1 8054 [1,0,0,0,1,0|2,0,0]=4 1334 B8R1.8 OCCC1=CC=CS1 5581 [1,0,0,0,1,0|2,0,0]=4 1335 B8R1.8 OCCC1=CSC=C1 20415 [1,0,0,0,1,0|2,0,0]=4