0 B10R1.17 BrCCOC1=CC=CC=C1 MC20150 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.17 Br[Zn]CCc1ccccc1 MC121341 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.17 CNCCC1=CC=CC=C1 MC446670 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.17 ClCCOC1=CC=CC=C1 MC33174 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.17 ClC\C=C\C1=CC=CC=C1 MC41818 [0,0,0,0,0,0|2,0,2]=4 5 B10R1.17 N#CC#CC1=CC=CC=C1 CS16032 [0,0,0,0,0,0|2,0,2]=4 6 B10R1.17 NCCCC1=CC=NC=C1 MC425564 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.17 NCCOC1=CC=CC=C1 CS20484 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.17 NOCCC1=CC=NC=C1 MC427573 [0,0,0,0,0,0|4,0,0]=4 9 B10R1.17 O=CC#CC1=CC=CC=C1 CS18196 [0,0,0,0,0,0|1,0,1]=2 10 B10R1.17 OCCCC1=CC=NC=C1 CS22019 [0,0,0,0,0,0|2,0,2]=4 11 B10R1.17 OCCOC1=CC=CC=C1 MC41398 [0,0,0,0,0,0|2,0,2]=4 12 B9R1.8 BrCCC1=CC=CC=C1 MC40571 [1,0,0,0,0,0|1,0,1]=3 13 B9R1.8 Br[Zn]Cc1ccccc1 MC121333 [1,0,0,0,0,0|2,0,0]=3 14 B9R1.8 CCCC1=CC=CN=C1 CS22402 [1,0,0,0,0,0|2,0,1]=4 15 B9R1.8 CCNC1=CC=CC=C1 MC40913 [1,0,0,0,0,0|2,0,1]=4 16 B9R1.8 CCOC1=NC=CC=C1 CS18732 [1,0,0,0,0,0|2,0,1]=4 17 B9R1.8 CNCC1=CC=CC=C1 MC10559 [1,0,0,0,0,0|1,0,1]=3 18 B9R1.8 CNCC1=CC=CC=C1 MC20323 [1,0,0,0,0,0|1,0,1]=3 19 B9R1.8 CNCC1=CC=CC=C1 MC21006 [1,0,0,0,0,0|1,0,1]=3 20 B9R1.8 CNCC1=CC=CN=C1 CS18846 [1,0,0,0,0,0|2,0,1]=4 21 B9R1.8 COCC1=NC=CC=C1 CS20909 [1,0,0,0,0,0|1,0,1]=3 22 B9R1.8 ClCCC1=CC=CC=C1 MC40609 [1,0,0,0,0,0|1,0,1]=3 23 B9R1.8 ClCCC1=CC=NC=C1 CS17913 [1,0,0,0,0,0|2,0,1]=4 24 B9R1.8 FCCC1=CC=CC=C1 MC41557 [1,0,0,0,0,0|1,0,1]=3 25 B9R1.8 N#CCC1=CC=CN=C1 CS18407 [1,0,0,0,0,0|2,0,1]=4 26 B9R1.8 N#CCC1=CC=NC=C1 CS20239 [1,0,0,0,0,0|2,0,1]=4 27 B9R1.8 N#CCC1=NC=CC=C1 CS18926 [1,0,0,0,0,0|2,0,1]=4 28 B9R1.8 NCCC1=CC=CC=C1 MC40983 [1,0,0,0,0,0|1,0,1]=3 29 B9R1.8 NCCC1=CC=CN=C1 CS21892 [1,0,0,0,0,0|2,0,1]=4 30 B9R1.8 NCCC1=NC=CC=C1 CS14064 [1,0,0,0,0,0|2,0,1]=4 31 B9R1.8 NNCC1=CC=CC=C1 CS11006 [1,0,0,0,0,0|2,0,0]=3 32 B9R1.8 NNCC1=CC=CC=C1 CS12127 [1,0,0,0,0,0|2,0,0]=3 33 B9R1.8 NNCC1=CC=CN=C1 MC111189 [1,0,0,0,0,0|3,0,0]=4 34 B9R1.8 NNCC1=CC=CN=C1 MC111240 [1,0,0,0,0,0|3,0,0]=4 35 B9R1.8 NNCC1=CC=NC=C1 MC111241 [1,0,0,0,0,0|3,0,0]=4 36 B9R1.8 NNCC1=NC=CC=C1 MC111239 [1,0,0,0,0,0|3,0,0]=4 37 B9R1.8 NOCC1=CC=CC=C1 CS14063 [1,0,0,0,0,0|1,0,0]=2 38 B9R1.8 O=C=NC1=CC=CC=C1 MC41051 [1,0,0,0,0,0|1,0,1]=3 39 B9R1.8 O=CCC1=CC=CN=C1 MC106360 [1,0,0,0,0,0|1,0,0]=2 40 B9R1.8 O=CCC1=CC=NC=C1 MC106357 [1,0,0,0,0,0|1,0,0]=2 41 B9R1.8 O=CCC1=NC=CC=N1 MC105911 [1,0,0,0,0,0|2,0,0]=3 42 B9R1.8 O=CNC1=CC=CC=C1 MC40924 [1,0,0,0,0,0|1,0,0]=2 43 B9R1.8 O=COC1=CC=CC=C1 MC40136 [1,0,0,0,0,0|0,0,0]=1 44 B9R1.8 OCCC1=CC=CC=C1 MC40745 [1,0,0,0,0,0|0,0,2]=3 45 B9R1.8 ONCC1=CC=CC=C1 CS11753 [1,0,0,0,0,0|1,0,1]=3 46 B11R1.1 CC1=CC=C(\C=C\C=O)C=C1 CS16393 [0,1,0,0,0,0|1,0,1]=3 47 B11R1.1 CCOCC1=CC=C(O)C=C1 CS16541 [0,1,0,0,0,0|1,0,1]=3 48 B11R1.1 CNCCC1=CC=C(N)C=C1 MC40974 [0,1,0,0,0,0|3,0,0]=4 49 B11R1.1 CNCCC1=CC=C(O)C=C1 MC426074 [0,1,0,0,0,0|3,0,0]=4 50 B11R1.1 COCCC1=CC=C(O)C=C1 MC445496 [0,1,0,0,0,0|3,0,0]=4 51 B11R1.1 FC1=CC=C(CCCBr)C=C1 MC113691 [0,1,0,0,0,0|2,0,1]=4 52 B11R1.1 O=C=NCC1=CC=C(F)C=C1 MC433986 [0,1,0,0,0,0|1,0,1]=3 53 B11R1.1 O=C\C=C\C1=CC=C(F)C=C1 CS14013 [0,1,0,0,0,0|1,0,1]=3 54 B11R1.16 CC(N=C=O)C1=CC=CC=C1 MC20438 [0,1,0,0,0,0|1,0,1]=3 55 B11R1.16 CNCC(C)C1=CC=CC=C1 MC446681 [0,1,0,0,0,0|3,0,0]=4 56 B11R1.16 CNCC(O)C1=CC=CC=C1 MC446674 [0,1,0,0,0,0|3,0,0]=4 57 B11R1.16 NC(CCO)C1=CC=CC=C1 CS18735 [0,1,0,0,0,0|1,0,2]=4 58 B11R1.16 NC(CCO)C1=CC=CC=C1 CS21217 [0,1,0,0,0,0|1,0,2]=4 59 B11R1.16 OC(CCCl)C1=CC=CC=C1 CS10897 [0,1,0,0,0,0|2,0,1]=4 60 B11R1.16 OC(CCCl)C1=CC=CC=C1 CS22197 [0,1,0,0,0,0|2,0,1]=4 61 B11R1.16 OC(CCCl)C1=CC=CC=C1 MC20313 [0,1,0,0,0,0|2,0,1]=4 62 B11R1.17 C=CCCC1=C(Br)C=NC=C1 MC431688 [0,1,0,0,0,0|3,0,0]=4 63 B11R1.17 O=CCCC1=C(Cl)C=CC=C1 MC106741 [0,1,0,0,0,0|1,0,0]=2 64 B11R1.24 FC1=CC=CC(CN=C=S)=C1 MC41079 [0,1,0,0,0,0|1,1,1]=4 65 B11R1.28 BrCCCOC1=CC=CC=C1 CS15031 [0,1,0,0,0,0|2,0,1]=4 66 B11R1.28 BrCCOCC1=CC=CC=C1 CS10998 [0,1,0,0,0,0|1,0,1]=3 67 B11R1.28 C=CCOCC1=CC=CC=C1 MC425090 [0,1,0,0,0,0|1,0,0]=2 68 B11R1.28 CNCCCC1=CC=CC=C1 MC425598 [0,1,0,0,0,0|2,0,1]=4 69 B11R1.28 N#CCNCC1=CC=CC=C1 MC442440 [0,1,0,0,0,0|2,0,1]=4 70 B11R1.28 NCCOCC1=CC=CC=C1 CS20892 [0,1,0,0,0,0|1,0,1]=3 71 B11R1.28 O=CCOCC1=CC=CC=C1 MC429084 [0,1,0,0,0,0|0,0,0]=1 72 B11R1.28 OCCCCC1=CC=CC=C1 CS11170 [0,1,0,0,0,0|1,0,2]=4 73 B11R1.28 OCCOCC1=CC=CC=C1 MC20071 [0,1,0,0,0,0|0,0,2]=3 74 B11R1.40 C#CC(O)CC1=CC=CC=C1 MC425691 [0,1,0,0,0,0|2,0,1]=4 75 B11R1.40 CCC(=O)CC1=CC=CC=C1 MC41289 [0,1,0,0,0,0|2,0,1]=4 76 B11R1.40 NC(CO)CC1=CC=CC=C1 CS21216 [0,1,0,0,0,0|1,0,2]=4 77 B11R1.40 NC(CO)CC1=CC=CC=C1 MC425862 [0,1,0,0,0,0|1,0,2]=4 78 B11R1.40 O=C(CO)CC1=CC=CC=C1 MC107738 [0,1,0,0,0,0|1,0,2]=4 79 B11R1.91 CC(=O)COC1=CC=CC=C1 MC433248 [0,1,0,0,0,0|2,0,0]=3 80 B11R1.91 CC(=O)NCC1=CN=CN=C1 MC105786 [0,1,0,0,0,0|3,0,0]=4 81 B11R1.91 CC(=O)OCC1=CC=CN=C1 MC33425 [0,1,0,0,0,0|1,0,0]=2 82 B11R1.91 CN(C)CCC1=CC=CC=C1 MC446671 [0,1,0,0,0,0|3,0,0]=4 83 B11R1.91 NC(=O)OCC1=CC=CC=C1 MC428066 [0,1,0,0,0,0|0,0,0]=1 84 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 CS21725 [0,1,0,0,0,0|1,0,1]=3 85 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 MC42251 [0,1,0,0,0,0|0,0,0]=1 86 B11R1.91 O=C(O)C#CC1=CC=CC=C1 CS10957 [0,1,0,0,0,0|1,0,1]=3 87 B11R1.91 O=C(O)CNC1=CC=NC=C1 MC425129 [0,1,0,0,0,0|3,0,0]=4 88 B11R1.91 O=C(O)CNC1=CC=NC=C1 MC425915 [0,1,0,0,0,0|3,0,0]=4 89 B11R1.91 O=C(O)CNc1ccccc1 MC439073 [0,1,0,0,0,0|2,0,0]=3 90 B11R1.91 O=C(O)COC1=CC=NC=C1 MC443726 [0,1,0,0,0,0|3,0,0]=4 91 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 MC40211 [0,1,0,0,0,0|1,0,1]=3 92 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 MC20186 [0,1,0,0,0,0|2,0,1]=4 93 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 MC20799 [0,1,0,0,0,0|2,0,1]=4 94 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 CS20444 [0,1,0,0,0,0|2,0,0]=3 95 B11R1.91 O=[N+]([O-])\C=C\C1=CC=CC=C1 MC443830 [0,1,0,0,0,0|2,0,1]=4 96 B11R2.1 BrC1=COC2=C1C=CC=C2 CS20626 [0,0,0,1,0,0|3,0,0]=4 97 B11R2.1 BrC1=NNC2=CC=CC=C21 MC442207 [0,0,0,1,0,0|3,0,0]=4 98 B11R2.1 CC1=CCC2=CC=CC=C12 MC106180 [0,0,0,1,0,0|2,0,0]=3 99 B11R2.1 CC1=CNC2=CC=CC=C12 CS11030 [0,0,0,1,0,0|3,0,0]=4 100 B11R2.1 CC1=COC2=C1C=CC=C2 MC30270 [0,0,0,1,0,0|3,0,0]=4 101 B11R2.1 CC1=NNC2=CC=CC=C21 CS17372 [0,0,0,1,0,0|3,0,0]=4 102 B11R2.1 CC1=NOC2=C1C=CC=C2 CS22352 [0,0,0,1,0,0|3,0,0]=4 103 B11R2.1 ClC1=CNC2=CC=CC=C12 MC427199 [0,0,0,1,0,0|3,0,0]=4 104 B11R2.1 ClC1=COC2=C1C=CC=C2 MC114725 [0,0,0,1,0,0|3,0,0]=4 105 B11R2.1 ClC1=NOC2=C1C=CC=C2 CS19970 [0,0,0,1,0,0|3,0,0]=4 106 B11R2.1 IC1=CSC2=C1C=CC=C2 CS22329 [0,0,0,1,0,0|3,0,0]=4 107 B11R2.1 NC1=CSC2=C1C=CC=C2 CS13998 [0,0,0,1,0,0|3,0,0]=4 108 B11R2.1 NC1=NNC2=CC=CC=C21 CS20708 [0,0,0,1,0,0|3,0,0]=4 109 B11R2.1 NC1=NOC2=C1C=CC=C2 CS20240 [0,0,0,1,0,0|3,0,0]=4 110 B11R2.1 NC1=NSC2=C1C=CC=C2 CS13975 [0,0,0,1,0,0|3,0,0]=4 111 B11R2.1 NC1CCC2=CC=CC=C21 CS16005 [0,0,0,1,0,0|2,0,1]=4 112 B11R2.1 NC1CCC2=CC=CC=C21 CS19275 [0,0,0,1,0,0|2,0,1]=4 113 B11R2.1 NC1CCC2=CC=CC=C21 CS19803 [0,0,0,1,0,0|2,0,1]=4 114 B11R2.1 NC1CCC2=CC=CC=C21 CS20307 [0,0,0,1,0,0|2,0,1]=4 115 B11R2.1 NC1CCC2=CC=CC=C21 MC425841 [0,0,0,1,0,0|2,0,1]=4 116 B11R2.1 O=C1CCC2=CC=CC=C12 CS18668 [0,0,0,1,0,0|1,0,0]=2 117 B11R2.1 O=C1CCC2=CC=CN=C12 CS10816 [0,0,0,1,0,0|2,0,0]=3 118 B11R2.1 O=C1CCC2=NC=CC=C12 CS18212 [0,0,0,1,0,0|2,0,0]=3 119 B11R2.1 O=C1COC2=C1C=CC=C2 CS20787 [0,0,0,1,0,0|2,0,0]=3 120 B11R2.1 O=C1COC2=CC=CN=C12 MC103039 [0,0,0,1,0,0|3,0,0]=4 121 B11R2.1 O=C1COC2=NC=CC=C12 MC441318 [0,0,0,1,0,0|3,0,0]=4 122 B11R2.1 O=C1CSC2=C1C=CC=C2 CS20606 [0,0,0,1,0,0|2,0,0]=3 123 B11R2.1 O=C1NCC2=CC=CC=C12 CS11515 [0,0,0,1,0,0|1,0,0]=2 124 B11R2.1 O=C1NNC2=CC=CC=C12 MC441212 [0,0,0,1,0,0|2,0,0]=3 125 B11R2.1 O=C1NNC2=CC=CN=C12 CS16829 [0,0,0,1,0,0|3,0,0]=4 126 B11R2.1 O=C1NNC2=CN=CC=C12 MC33248 [0,0,0,1,0,0|3,0,0]=4 127 B11R2.1 O=C1NNC2=NC=CC=C12 CS13662 [0,0,0,1,0,0|3,0,0]=4 128 B11R2.1 O=C1NSC2=C1C=CC=C2 CS14057 [0,0,0,1,0,0|2,0,0]=3 129 B11R2.1 O=C1OCC2=CC=CC=C12 CS11853 [0,0,0,1,0,0|0,0,0]=1 130 B11R2.1 O=C1OCC2=NC=CC=C12 CS11423 [0,0,0,1,0,0|1,0,0]=2 131 B11R2.1 O=C1SSC2=C1C=CC=C2 MC428208 [0,0,0,1,0,0|1,1,0]=3 132 B11R2.1 O=S1C=NC2=C1C=CC=C2 MC31232 [0,0,0,1,0,0|3,0,0]=4 133 B11R2.1 OC1=NOC2=C1C=CC=C2 MC442249 [0,0,0,1,0,0|2,0,1]=4 134 B11R2.4 NC1CC1C2=CC=CC=C2 MC100890 [0,0,0,1,0,0|2,0,1]=4 135 B11R2.4 NC1CC1C2=CC=CC=C2 MC106461 [0,0,0,1,0,0|2,0,1]=4 136 B11R2.20 C1=CC=C2C=NC=CC2=C1 CS19770 [0,0,0,1,0,0|2,0,1]=4 137 B11R2.20 C1=CC=C2CC=CCC2=C1 CS11050 [0,0,0,1,0,0|2,0,0]=3 138 B11R2.20 C1=CC=C2CNCCC2=C1 CS19412 [0,0,0,1,0,0|2,0,1]=4 139 B11R2.20 C1=CC=C2COCCC2=C1 CS19933 [0,0,0,1,0,0|1,0,1]=3 140 B11R2.20 C1=CC=C2N=CC=CC2=C1 CS11929 [0,0,0,1,0,0|2,0,1]=4 141 B11R2.20 C1=CC=C2N=CC=NC2=C1 CS11932 [0,0,0,1,0,0|3,0,0]=4 142 B11R2.20 C1=CC=C2N=CN=CC2=C1 CS11926 [0,0,0,1,0,0|2,0,1]=4 143 B11R2.20 C1=CC=C2N=NC=CC2=C1 CS11145 [0,0,0,1,0,0|3,0,0]=4 144 B11R2.238 C1=CC=C(CC2CN2)C=C1 CS19482 [0,0,0,1,0,0|2,0,1]=4 145 B9R1.12 CCOCC1=CC=CO1 CS17009 [0,0,0,0,1,0|2,0,1]=4 146 B9R1.12 O=C\C=C\C1=CC=CO1 CS21800 [0,0,0,0,1,0|2,0,1]=4 147 B9R1.12 O=C\C=C\C1=CC=CO1 CS21801 [0,0,0,0,1,0|2,0,1]=4 148 B8R1.2 BrCC1=CC=NC=C1 CS22459 [2,0,0,0,0,0|2,0,0]=4 149 B8R1.2 BrCC1=CC=NC=C1 MC111773 [2,0,0,0,0,0|2,0,0]=4 150 B8R1.2 C#CC1=CC=CC=C1 CS19127 [2,0,0,0,0,0|0,0,2]=4 151 B8R1.2 CCC1=CC=CC=C1 MC41556 [2,0,0,0,0,0|0,0,1]=3 152 B8R1.2 CCC1=CC=CN=C1 CS22277 [2,0,0,0,0,0|1,0,1]=4 153 B8R1.2 CNC1=CC=CC=C1 CS11792 [2,0,0,0,0,0|1,0,1]=4 154 B8R1.2 COC1=CC=CC=C1 MC41309 [2,0,0,0,0,0|0,0,1]=3 155 B8R1.2 COC1=CC=CN=C1 CS22348 [2,0,0,0,0,0|1,0,1]=4 156 B8R1.2 COC1=CC=NC=C1 CS19206 [2,0,0,0,0,0|1,0,1]=4 157 B8R1.2 COC1=NC=CC=C1 CS18780 [2,0,0,0,0,0|1,0,1]=4 158 B8R1.2 CSC1=CC=CC=C1 MC439137 [2,0,0,0,0,0|0,1,1]=4 159 B8R1.2 ClCC1=CC=CN=C1 CS19291 [2,0,0,0,0,0|2,0,0]=4 160 B8R1.2 ClCC1=NC=CC=C1 CS19289 [2,0,0,0,0,0|2,0,0]=4 161 B8R1.2 ICC1=CC=CC=C1 CS11000 [2,0,0,0,0,0|1,0,0]=3 162 B8R1.2 ICC1=CC=CN=C1 MC430640 [2,0,0,0,0,0|2,0,0]=4 163 B8R1.2 I[Zn]c1ccccc1 MC121332 [2,0,0,0,0,0|2,0,0]=4 164 B8R1.2 N#CC1=CC=CC=C1 MC40623 [2,0,0,0,0,0|1,0,1]=4 165 B8R1.2 N#Cc1ccccc1 CS13696 [2,0,0,0,0,0|1,0,1]=4 166 B8R1.2 NCC1=CC=CC=C1 MC40797 [2,0,0,0,0,0|1,0,0]=3 167 B8R1.2 NCC1=CC=CN=C1 CS14226 [2,0,0,0,0,0|2,0,0]=4 168 B8R1.2 NCC1=CC=NC=C1 CS11906 [2,0,0,0,0,0|2,0,0]=4 169 B8R1.2 NCC1=CC=NC=C1 CS19023 [2,0,0,0,0,0|2,0,0]=4 170 B8R1.2 NNC1=CC=CC=C1 CS15210 [2,0,0,0,0,0|2,0,0]=4 171 B8R1.2 NNC1=CC=CC=C1 MC427075 [2,0,0,0,0,0|2,0,0]=4 172 B8R1.2 O=CC1=CC=CN=N1 MC121079 [2,0,0,0,0,0|2,0,0]=4 173 B8R1.2 O=CC1=CN=CC=C1 CS19090 [2,0,0,0,0,0|1,0,0]=3 174 B8R1.2 O=CC1=CN=CN=C1 CS19643 [2,0,0,0,0,0|2,0,0]=4 175 B8R1.2 O=CC1=CN=NC=C1 MC444362 [2,0,0,0,0,0|2,0,0]=4 176 B8R1.2 O=CC1=NC=CC=C1 CS18610 [2,0,0,0,0,0|1,0,0]=3 177 B8R1.2 O=CC1=NC=CC=N1 MC444571 [2,0,0,0,0,0|2,0,0]=4 178 B8R1.2 O=CC1=NC=CN=C1 CS18375 [2,0,0,0,0,0|2,0,0]=4 179 B8R1.2 O=NC1=CC=CC=C1 MC33163 [2,0,0,0,0,0|1,0,0]=3 180 B8R1.2 OCC1=CC=CC=C1 MC40684 [2,0,0,0,0,0|0,0,0]=2 181 B8R1.2 OCC1=CC=CN=C1 CS22409 [2,0,0,0,0,0|1,0,0]=3 182 B8R1.2 OCC1=CC=CN=N1 CS21870 [2,0,0,0,0,0|2,0,0]=4 183 B8R1.2 OCC1=CC=NC=C1 CS19163 [2,0,0,0,0,0|1,0,0]=3 184 B8R1.2 OCC1=CN=CN=C1 MC444370 [2,0,0,0,0,0|2,0,0]=4 185 B8R1.2 OCC1=CN=NC=C1 MC444363 [2,0,0,0,0,0|2,0,0]=4 186 B8R1.2 OCC1=NC=CC=C1 CS19164 [2,0,0,0,0,0|1,0,0]=3 187 B8R1.2 OCC1=NC=CC=N1 CS19924 [2,0,0,0,0,0|2,0,0]=4 188 B8R1.2 OCC1=NC=CN=C1 CS21749 [2,0,0,0,0,0|2,0,0]=4 189 B8R1.2 OCC1=NC=NC=C1 CS11915 [2,0,0,0,0,0|2,0,0]=4 190 B10R1.1 Br[Zn]Cc1ccc(Br)cc1 MC121353 [1,1,0,0,0,0|2,0,0]=4 191 B10R1.1 C=COC1=CC=C(I)C=C1 MC103309 [1,1,0,0,0,0|1,0,0]=3 192 B10R1.1 CC1=CC=C(CC#N)C=C1 CS21709 [1,1,0,0,0,0|1,0,1]=4 193 B10R1.1 CC1=CC=C(CCBr)C=C1 CS19977 [1,1,0,0,0,0|1,0,1]=4 194 B10R1.1 CC1=CC=C(CCN)C=C1 CS18979 [1,1,0,0,0,0|1,0,1]=4 195 B10R1.1 CC1=CC=C(CCO)C=C1 MC40744 [1,1,0,0,0,0|0,0,2]=4 196 B10R1.1 CC1=CC=C(CNN)C=C1 CS20201 [1,1,0,0,0,0|2,0,0]=4 197 B10R1.1 CCCC1=CC=C(Br)C=C1 CS10896 [1,1,0,0,0,0|1,0,1]=4 198 B10R1.1 CCOC1=CC=C(Br)C=C1 MC446797 [1,1,0,0,0,0|1,0,1]=4 199 B10R1.1 CCOC1=CC=C(I)C=C1 CS22907 [1,1,0,0,0,0|1,0,1]=4 200 B10R1.1 CCOC1=CC=C(N)C=C1 CS11879 [1,1,0,0,0,0|1,0,1]=4 201 B10R1.1 CNCC1=CC=C(Br)C=C1 CS19272 [1,1,0,0,0,0|1,0,1]=4 202 B10R1.1 CNCC1=CC=C(C)C=C1 CS11795 [1,1,0,0,0,0|1,0,1]=4 203 B10R1.1 ClC1=CC=C(CCBr)C=C1 CS10835 [1,1,0,0,0,0|1,0,1]=4 204 B10R1.1 ClCCC1=CC=C(Cl)C=C1 MC433885 [1,1,0,0,0,0|1,0,1]=4 205 B10R1.1 FC1=CC=C(CCBr)C=C1 CS10866 [1,1,0,0,0,0|1,0,1]=4 206 B10R1.1 Fc1ccc(C[Zn]Cl)cc1 MC121346 [1,1,0,0,0,0|2,0,0]=4 207 B10R1.1 N#CCC1=CC=C(Br)C=C1 CS20687 [1,1,0,0,0,0|1,0,1]=4 208 B10R1.1 N#CCC1=CC=C(Cl)C=C1 MC20790 [1,1,0,0,0,0|1,0,1]=4 209 B10R1.1 N#CCC1=CC=C(F)C=C1 CS14479 [1,1,0,0,0,0|1,0,1]=4 210 B10R1.1 N#CCC1=CC=C(I)C=C1 MC40782 [1,1,0,0,0,0|1,0,1]=4 211 B10R1.1 N#CCC1=CC=C(N)C=C1 MC40751 [1,1,0,0,0,0|1,0,1]=4 212 B10R1.1 NC1=CC=C(CCO)C=C1 CS13450 [1,1,0,0,0,0|0,0,2]=4 213 B10R1.1 NCCC1=CC=C(Br)C=C1 CS19296 [1,1,0,0,0,0|1,0,1]=4 214 B10R1.1 NCCC1=CC=C(Cl)C=C1 MC40975 [1,1,0,0,0,0|1,0,1]=4 215 B10R1.1 NCCC1=CC=C(F)C=C1 CS13766 [1,1,0,0,0,0|1,0,1]=4 216 B10R1.1 NCCC1=CC=C(N)C=C1 MC33045 [1,1,0,0,0,0|1,0,1]=4 217 B10R1.1 NCCC1=CC=C(O)C=C1 CS22315 [1,1,0,0,0,0|1,0,1]=4 218 B10R1.1 NNCC1=CC=C(F)C=C1 CS17057 [1,1,0,0,0,0|2,0,0]=4 219 B10R1.1 O=C=NC1=CC=C(Br)C=C1 MC41032 [1,1,0,0,0,0|1,0,1]=4 220 B10R1.1 O=C=NC1=CC=C(F)C=C1 MC33036 [1,1,0,0,0,0|1,0,1]=4 221 B10R1.1 O=CCC1=CC=C(Br)C=C1 CS18203 [1,1,0,0,0,0|0,0,0]=2 222 B10R1.1 O=CNC1=CC=C(Cl)C=C1 MC103067 [1,1,0,0,0,0|1,0,0]=3 223 B10R1.1 OCCC1=CC=C(Br)C=C1 CS14491 [1,1,0,0,0,0|0,0,2]=4 224 B10R1.1 OCCC1=CC=C(Cl)C=C1 CS22791 [1,1,0,0,0,0|0,0,2]=4 225 B10R1.1 OCCC1=CC=C(F)C=C1 MC33200 [1,1,0,0,0,0|0,0,2]=4 226 B10R1.1 OCCC1=CC=C(I)C=C1 CS12086 [1,1,0,0,0,0|0,0,2]=4 227 B10R1.1 OCCC1=CC=C(O)C=C1 CS20458 [1,1,0,0,0,0|0,0,2]=4 228 B10R1.4 Br[Zn]Cc1ccccc1Br MC121351 [1,1,0,0,0,0|2,0,0]=4 229 B10R1.4 CC1=C(CC#N)C=CC=C1 CS11825 [1,1,0,0,0,0|1,0,1]=4 230 B10R1.4 CCOC1=C(Br)C=CC=C1 MC20149 [1,1,0,0,0,0|1,0,1]=4 231 B10R1.4 CCOC1=C(N)C=CC=C1 CS11823 [1,1,0,0,0,0|1,0,1]=4 232 B10R1.4 CCOC1=C(O)C=CC=C1 MC41194 [1,1,0,0,0,0|1,0,1]=4 233 B10R1.4 CNCC1=C(F)C=CC=C1 MC40828 [1,1,0,0,0,0|1,0,1]=4 234 B10R1.4 COCC1=C(Br)C=CC=C1 MC41399 [1,1,0,0,0,0|0,0,1]=3 235 B10R1.4 Fc1ccccc1C[Zn]Cl MC121344 [1,1,0,0,0,0|2,0,0]=4 236 B10R1.4 N#CCC1=C(Br)C=CC=C1 CS10707 [1,1,0,0,0,0|1,0,1]=4 237 B10R1.4 N#CCC1=C(Cl)C=CC=C1 CS21495 [1,1,0,0,0,0|1,0,1]=4 238 B10R1.4 N#CCC1=C(F)C=CC=C1 CS20772 [1,1,0,0,0,0|1,0,1]=4 239 B10R1.4 N#CCC1=C(I)C=CC=C1 MC40781 [1,1,0,0,0,0|1,0,1]=4 240 B10R1.4 N#CCC1=C(N)C=CC=C1 CS20914 [1,1,0,0,0,0|1,0,1]=4 241 B10R1.4 NCCC1=C(Br)C=CC=C1 CS15138 [1,1,0,0,0,0|1,0,1]=4 242 B10R1.4 NCCC1=C(F)C=CC=C1 CS14793 [1,1,0,0,0,0|1,0,1]=4 243 B10R1.4 NCCC1=C(N)C=CC=C1 CS15970 [1,1,0,0,0,0|1,0,1]=4 244 B10R1.4 NNCC1=C(F)C=CC=C1 CS20134 [1,1,0,0,0,0|2,0,0]=4 245 B10R1.4 NNCc1ccccc1F MC443842 [1,1,0,0,0,0|2,0,0]=4 246 B10R1.4 O=C=NC1=C(Br)C=CC=C1 MC41031 [1,1,0,0,0,0|1,0,1]=4 247 B10R1.4 O=C=NC1=C(F)C=CC=C1 MC429405 [1,1,0,0,0,0|1,0,1]=4 248 B10R1.4 O=CCC1=C(F)C=CC=C1 MC431003 [1,1,0,0,0,0|0,0,0]=2 249 B10R1.4 OC1=C(CCI)C=CC=C1 MC430321 [1,1,0,0,0,0|1,0,1]=4 250 B10R1.4 OCCC1=C(Br)C=CC=C1 CS21407 [1,1,0,0,0,0|0,0,2]=4 251 B10R1.4 OCCC1=C(Cl)C=CC=C1 MC40737 [1,1,0,0,0,0|0,0,2]=4 252 B10R1.4 OCCC1=C(F)C=CC=C1 MC33149 [1,1,0,0,0,0|0,0,2]=4 253 B10R1.10 Br[Zn]Cc1cccc(Br)c1 MC121352 [1,1,0,0,0,0|2,0,0]=4 254 B10R1.10 C=CCC1=CC=CC(O)=C1 MC425380 [1,1,0,0,0,0|1,0,0]=3 255 B10R1.10 CC1=CC(CC#N)=CC=C1 CS18941 [1,1,0,0,0,0|1,0,1]=4 256 B10R1.10 CC1=CC(CCO)=CC=C1 CS22372 [1,1,0,0,0,0|0,0,2]=4 257 B10R1.10 CCCc1cccc(F)c1 MC440476 [1,1,0,0,0,0|1,0,1]=4 258 B10R1.10 COCC1=CC(Cl)=NC=C1 MC425095 [1,1,0,0,0,0|1,0,1]=4 259 B10R1.10 FC1=CC=CC(CCBr)=C1 MC40572 [1,1,0,0,0,0|1,0,1]=4 260 B10R1.10 Fc1cccc(C[Zn]Cl)c1 MC121345 [1,1,0,0,0,0|2,0,0]=4 261 B10R1.10 N#CCC1=CC(Br)=CC=C1 CS18969 [1,1,0,0,0,0|1,0,1]=4 262 B10R1.10 N#CCC1=CC(Cl)=CC=C1 CS13745 [1,1,0,0,0,0|1,0,1]=4 263 B10R1.10 N#CCC1=CC(F)=CC=C1 MC20212 [1,1,0,0,0,0|1,0,1]=4 264 B10R1.10 N#CCC1=CC(N)=CC=C1 MC433930 [1,1,0,0,0,0|1,0,1]=4 265 B10R1.10 NC1=CC=CC(CCO)=C1 CS22105 [1,1,0,0,0,0|0,0,2]=4 266 B10R1.10 NCCC1=CC(Br)=CC=C1 CS15159 [1,1,0,0,0,0|1,0,1]=4 267 B10R1.10 NCCC1=CC(F)=CC=C1 MC40979 [1,1,0,0,0,0|1,0,1]=4 268 B10R1.10 NNCC1=CC(O)=CC=C1 MC10382 [1,1,0,0,0,0|2,0,0]=4 269 B10R1.10 O=C=NC1=CC(F)=CC=C1 MC41043 [1,1,0,0,0,0|1,0,1]=4 270 B10R1.10 O=CCC1=CC(O)=CC=C1 MC106361 [1,1,0,0,0,0|0,0,0]=2 271 B10R1.10 OCCC1=CC(Br)=CC=C1 CS22186 [1,1,0,0,0,0|0,0,2]=4 272 B10R1.10 OCCC1=CC(Cl)=CC=C1 CS22241 [1,1,0,0,0,0|0,0,2]=4 273 B10R1.10 OCCC1=CC(F)=CC=C1 MC40743 [1,1,0,0,0,0|0,0,2]=4 274 B10R1.15 C=CC(N)C1=CC=CC=C1 MC102512 [1,1,0,0,0,0|1,0,0]=3 275 B10R1.15 CC(CN)C1=CC=CC=C1 CS10909 [1,1,0,0,0,0|1,0,1]=4 276 B10R1.15 CC(CN)c1ccccc1 MC110750 [1,1,0,0,0,0|1,0,1]=4 277 B10R1.15 CC(NO)c1ccccc1 MC103844 [1,1,0,0,0,0|1,0,1]=4 278 B10R1.15 CC(NO)c1ccccc1 MC103845 [1,1,0,0,0,0|1,0,1]=4 279 B10R1.15 CCC(C)C1=CC=CC=C1 CS11947 [1,1,0,0,0,0|1,0,1]=4 280 B10R1.15 CCC(C)C1=CC=CC=C1 MC433489 [1,1,0,0,0,0|1,0,1]=4 281 B10R1.15 CCC(N)C1=CC=CC=C1 MC20337 [1,1,0,0,0,0|1,0,1]=4 282 B10R1.15 CN(C=O)C1=CC=CC=C1 CS11793 [1,1,0,0,0,0|1,0,0]=3 283 B10R1.15 COC(=O)C1=CC=CC=C1 MC40065 [1,1,0,0,0,0|0,0,2]=4 284 B10R1.15 FC(CBr)C1=CC=CC=C1 MC102769 [1,1,0,0,0,0|1,0,1]=4 285 B10R1.15 N#CC(N)C1=CC=CC=C1 MC31161 [1,1,0,0,0,0|1,0,1]=4 286 B10R1.15 NC(CO)C1=CC=CC=C1 CS10553 [1,1,0,0,0,0|0,0,2]=4 287 B10R1.15 NC(CO)C1=CC=CC=C1 CS10555 [1,1,0,0,0,0|0,0,2]=4 288 B10R1.15 NC(CO)C1=CC=CC=C1 CS15860 [1,1,0,0,0,0|0,0,2]=4 289 B10R1.15 NCC(O)C1=CC=CC=C1 CS20485 [1,1,0,0,0,0|1,0,1]=4 290 B10R1.15 NCC(O)C1=CC=CC=C1 MC444625 [1,1,0,0,0,0|1,0,1]=4 291 B10R1.15 OC(CBr)C1=CC=CC=C1 CS18840 [1,1,0,0,0,0|1,0,1]=4 292 B10R1.15 OCC(F)C1=CC=CC=C1 MC430923 [1,1,0,0,0,0|0,0,2]=4 293 B10R1.18 BrC(Br)=CC1=CC=CC=C1 CS16193 [1,1,0,0,0,0|1,0,1]=4 294 B10R1.18 CC(=O)CC1=CC=CN=C1 MC102696 [1,1,0,0,0,0|1,0,0]=3 295 B10R1.18 CC(=O)CC1=CC=NC=C1 CS20988 [1,1,0,0,0,0|1,0,0]=3 296 B10R1.18 CC(=O)CC1=NC=CC=C1 CS20802 [1,1,0,0,0,0|1,0,0]=3 297 B10R1.18 CC(=O)CC1=NC=CC=N1 MC429990 [1,1,0,0,0,0|2,0,0]=4 298 B10R1.18 CC(=O)NC1=CC=CC=C1 MC34102 [1,1,0,0,0,0|1,0,0]=3 299 B10R1.18 CC(Br)CC1=CC=CC=C1 MC41813 [1,1,0,0,0,0|1,0,1]=4 300 B10R1.18 CC(C)OC1=CC=CC=C1 MC41360 [1,1,0,0,0,0|1,0,1]=4 301 B10R1.18 FC(F)OC1=CC=CC=C1 MC41385 [1,1,0,0,0,0|1,0,1]=4 302 B10R1.18 NC(=O)CC1=NC=CC=N1 CS17323 [1,1,0,0,0,0|2,0,0]=4 303 B10R1.18 NC(=O)NC1=CC=CC=C1 CS10533 [1,1,0,0,0,0|1,0,0]=3 304 B10R1.18 NC(=O)OC1=CC=CC=C1 MC428148 [1,1,0,0,0,0|0,0,0]=2 305 B10R1.18 O=C(Cl)OC1=CC=CC=C1 CS18823 [1,1,0,0,0,0|0,0,0]=2 306 B10R1.18 O=C(O)CC1=CC=CN=C1 CS20325 [1,1,0,0,0,0|1,0,0]=3 307 B10R1.18 O=C(O)CC1=CC=CN=N1 MC103920 [1,1,0,0,0,0|2,0,0]=4 308 B10R1.18 O=C(O)CC1=CC=NC=C1 CS20327 [1,1,0,0,0,0|1,0,0]=3 309 B10R1.18 O=C(O)CC1=CC=NC=C1 MC41632 [1,1,0,0,0,0|1,0,0]=3 310 B10R1.18 O=C(O)CC1=CN=CN=C1 CS10494 [1,1,0,0,0,0|2,0,0]=4 311 B10R1.18 O=C(O)CC1=CN=NC=C1 MC103838 [1,1,0,0,0,0|2,0,0]=4 312 B10R1.18 O=C(O)CC1=NC=CC=C1 MC41631 [1,1,0,0,0,0|1,0,0]=3 313 B10R1.18 O=C(O)CC1=NC=CC=N1 MC102381 [1,1,0,0,0,0|2,0,0]=4 314 B10R1.18 O=C(O)CC1=NC=NC=C1 MC113226 [1,1,0,0,0,0|2,0,0]=4 315 B10R1.18 O=C([O-])CC1=CC=CC=C1 MC34448 [1,1,0,0,0,0|0,0,0]=2 316 B10R1.18 O=C([O-])CC1=CN=NC=C1 MC103839 [1,1,0,0,0,0|2,0,0]=4 317 B10R1.66 O=C(O)CCC1=CC=CN1 CS21786 [0,1,0,0,1,0|2,0,0]=4 318 B10R1.66 O=C(O)CCC1=CC=CO1 MC41688 [0,1,0,0,1,0|2,0,0]=4 319 B10R1.66 O=C(O)CCC1=CNC=C1 MC430255 [0,1,0,0,1,0|2,0,0]=4 320 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 CS14964 [0,2,0,0,0,0|1,0,0]=3 321 B12R1.21 CC(=O)\C=C\C1=CC=C(Br)C=C1 MC431712 [0,2,0,0,0,0|1,0,1]=4 322 B12R1.21 CC(=O)\C=C\C1=CC=C(Cl)C=C1 MC41308 [0,2,0,0,0,0|1,0,1]=4 323 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 MC40217 [0,2,0,0,0,0|1,0,1]=4 324 B12R1.21 NC(=[NH2+])SCC1=CC=C(F)C=C1 MC112601 [0,2,0,0,0,0|1,1,0]=4 325 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 CS21832 [0,2,0,0,0,0|1,0,0]=3 326 B12R1.21 NC1=CC=C(CCC(=O)O)C=N1 CS15944 [0,2,0,0,0,0|2,0,0]=4 327 B12R1.21 NC1=CC=C(CCC(=O)O)C=N1 CS17825 [0,2,0,0,0,0|2,0,0]=4 328 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 CS21674 [0,2,0,0,0,0|1,0,0]=3 329 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 CS19854 [0,2,0,0,0,0|1,0,0]=3 330 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 CS21107 [0,2,0,0,0,0|1,0,0]=3 331 B12R1.21 O=C(O)CSC1=CC=C(F)C=C1 MC41825 [0,2,0,0,0,0|2,0,0]=4 332 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 CS21504 [0,2,0,0,0,0|1,0,1]=4 333 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 MC429571 [0,2,0,0,0,0|1,0,1]=4 334 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 CS15820 [0,2,0,0,0,0|1,0,1]=4 335 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 CS20784 [0,2,0,0,0,0|1,0,1]=4 336 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 MC42229 [0,2,0,0,0,0|1,0,0]=3 337 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 MC428246 [0,2,0,0,0,0|1,0,0]=3 338 B12R1.107 NC(CC(=O)O)C1=CC=CN=C1 CS20300 [0,2,0,0,0,0|2,0,0]=4 339 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 CS22312 [0,2,0,0,0,0|1,0,0]=3 340 B12R1.107 O=C([O-])CC(=O)C1=CC=CC=C1 CS17400 [0,2,0,0,0,0|1,0,1]=4 341 B12R1.121 COC1=C(OCC=O)C=CC=C1 MC112452 [0,2,0,0,0,0|2,0,0]=4 342 B12R1.121 COC1=C(\C=C\C=O)C=CC=C1 CS15311 [0,2,0,0,0,0|1,0,1]=4 343 B12R1.125 O=C(O)CCC1=C(Br)C=CC=C1 CS21656 [0,2,0,0,0,0|1,0,0]=3 344 B12R1.125 O=C(O)CCN1C=CC=CC1=O CS12670 [0,2,0,0,0,0|2,0,0]=4 345 B12R1.125 O=C(O)CNC1=C(F)C=CC=C1 MC106617 [0,2,0,0,0,0|2,0,0]=4 346 B12R1.125 O=C(O)CNc1ccccc1Cl MC439220 [0,2,0,0,0,0|2,0,0]=4 347 B12R1.125 O=C(O)\C=C\C1=C(Cl)C=CC=C1 CS10967 [0,2,0,0,0,0|1,0,1]=4 348 B12R1.374 CC1=C(CN=C=O)C=C(Br)C=C1 MC100374 [0,2,0,0,0,0|1,0,1]=4 349 B12R1.374 O=C\C=C\C1=C(O)C=CC(Cl)=C1 MC111789 [0,2,0,0,0,0|1,0,1]=4 350 B12R1.226 O=C(O)CCC1=CC(Br)=CC=C1 CS21658 [0,2,0,0,0,0|1,0,0]=3 351 B12R1.226 O=C(O)CCC1=CC(Cl)=CC=C1 CS13948 [0,2,0,0,0,0|1,0,0]=3 352 B12R1.226 O=C(O)CCc1cccc(F)c1 MC40203 [0,2,0,0,0,0|1,0,0]=3 353 B12R1.226 O=C(O)\C=C\C1=CC(Br)=CC=C1 CS21499 [0,2,0,0,0,0|1,0,1]=4 354 B12R1.226 O=C(O)\C=C\C1=CC(Cl)=CC=C1 CS21503 [0,2,0,0,0,0|1,0,1]=4 355 B12R1.226 O=C(O)\C=C\C1=CC(Cl)=CC=C1 MC40208 [0,2,0,0,0,0|1,0,1]=4 356 B12R1.226 O=C(O)\C=C\C1=CC(F)=CC=C1 CS10976 [0,2,0,0,0,0|1,0,1]=4 357 B12R1.226 O=C(O)\C=C\C1=CC(F)=CC=C1 MC40216 [0,2,0,0,0,0|1,0,1]=4 358 B12R1.8 BrCCCOCC1=CC=CC=C1 CS10023 [0,2,0,0,0,0|1,0,1]=4 359 B12R1.27 CC(CO)OCC1=CC=CC=C1 MC106974 [0,2,0,0,0,0|0,0,2]=4 360 B12R1.27 COC(=O)CCC1=CC=CC=C1 MC433965 [0,2,0,0,0,0|1,0,0]=3 361 B12R1.27 NCC(=O)OCC1=CC=CC=C1 MC428105 [0,2,0,0,0,0|0,0,0]=2 362 B12R1.27 NCC(=O)OCc1ccccc1 MC437714 [0,2,0,0,0,0|0,0,0]=2 363 B12R1.27 NCC(=O)OCc1ccccc1 MC437715 [0,2,0,0,0,0|0,0,0]=2 364 B12R1.27 NNC(=O)OCC1=CC=CC=C1 CS20449 [0,2,0,0,0,0|0,0,0]=2 365 B12R1.27 NNC(=O)OCc1ccccc1 MC438484 [0,2,0,0,0,0|0,0,0]=2 366 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 CS19947 [0,2,0,0,0,0|0,0,0]=2 367 B12R1.252 CC(=O)OCCC1=CC=CC=C1 MC40009 [0,2,0,0,0,0|0,0,0]=2 368 B12R1.252 CC(C)=CCSC1=CC=CC=C1 MC41831 [0,2,0,0,0,0|2,0,0]=4 369 B12R1.252 CC(O)COCC1=CC=CC=C1 CS20248 [0,2,0,0,0,0|0,0,2]=4 370 B12R1.252 NC(=S)COCC1=CC=CC=C1 MC430689 [0,2,0,0,0,0|0,1,0]=3 371 B12R1.252 O=C(O)CCCC1=NC=CC=C1 CS12802 [0,2,0,0,0,0|2,0,0]=4 372 B12R1.252 O=C(O)CCOC1=CC=CC=C1 MC40204 [0,2,0,0,0,0|1,0,0]=3 373 B12R1.252 O=C(O)CNCC1=CC=CC=C1 CS21182 [0,2,0,0,0,0|1,0,0]=3 374 B12R1.252 O=C(O)CNCC1=NC=CC=C1 MC105962 [0,2,0,0,0,0|2,0,0]=4 375 B12R1.252 O=C(O)COCC1=CC=CC=C1 CS14115 [0,2,0,0,0,0|0,0,0]=2 376 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O MC445160 [0,2,0,0,0,0|1,0,0]=3 377 B12R1.43 CC(NC1=CC=CC=C1)C(=O)O MC20809 [0,2,0,0,0,0|2,0,0]=4 378 B12R1.43 CN(CC1=NC=CC=C1)C(=O)Cl MC110623 [0,2,0,0,0,0|2,0,0]=4 379 B12R1.43 NC(=O)C(N)Cc1ccccc1 MC438079 [0,2,0,0,0,0|1,0,0]=3 380 B12R1.43 NC(=O)C(N)Cc1ccccc1 MC438080 [0,2,0,0,0,0|1,0,0]=3 381 B12R1.43 NC(=O)C(N)Cc1ccccc1 MC438081 [0,2,0,0,0,0|1,0,0]=3 382 B12R1.43 NC(=O)C(N)Cc1ccccc1 MC438082 [0,2,0,0,0,0|1,0,0]=3 383 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O CS15443 [0,2,0,0,0,0|1,0,0]=3 384 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O CS18748 [0,2,0,0,0,0|1,0,0]=3 385 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O CS21178 [0,2,0,0,0,0|1,0,0]=3 386 B12R1.43 NC(CC1=CC=CN=C1)C(=O)O CS18803 [0,2,0,0,0,0|2,0,0]=4 387 B12R1.43 NC(CC1=CC=CN=C1)C(=O)O MC20764 [0,2,0,0,0,0|2,0,0]=4 388 B12R1.43 NC(CC1=CC=CN=C1)C(=O)O MC439076 [0,2,0,0,0,0|2,0,0]=4 389 B12R1.43 NC(Cc1ccccn1)C(=O)O MC427345 [0,2,0,0,0,0|2,0,0]=4 390 B12R1.43 NC(Cc1ccccn1)C(=O)O MC438142 [0,2,0,0,0,0|2,0,0]=4 391 B12R1.43 NC(Cc1ccccn1)C(=O)O MC438143 [0,2,0,0,0,0|2,0,0]=4 392 B12R1.43 NC(Cc1ccccn1)C(=O)O MC439075 [0,2,0,0,0,0|2,0,0]=4 393 B12R1.43 NC(Cc1cccnc1)C(=O)O MC438144 [0,2,0,0,0,0|2,0,0]=4 394 B12R1.43 NC(Cc1ccncc1)C(=O)O MC439080 [0,2,0,0,0,0|2,0,0]=4 395 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 CS15800 [0,2,0,0,0,0|1,0,0]=3 396 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 CS21095 [0,2,0,0,0,0|1,0,0]=3 397 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 MC438099 [0,2,0,0,0,0|1,0,0]=3 398 B12R1.43 O=C(O)C(O)CC1=CC=CN=C1 MC437778 [0,2,0,0,0,0|2,0,0]=4 399 B12R1.891 O=S(=O)(Cl)CCC1=CC=CC=C1 CS21739 [0,2,0,0,0,0|2,0,0]=4 400 B10R2.6 C1=CC=C(C2CO2)C=C1 MC20326 [1,0,0,1,0,0|0,0,1]=3 401 B10R2.6 C1=CC=C(C2CO2)C=C1 MC445226 [1,0,0,1,0,0|0,0,1]=3 402 B10R2.7 C1=CC2=C(C=C1)CSC2 MC114506 [1,0,0,1,0,0|0,1,1]=4 403 B10R2.7 C1=CC2=C(C=C1)NC=N2 MC41756 [1,0,0,1,0,0|2,0,0]=4 404 B10R2.7 C1=CC2=C(C=C1)OC=N2 CS10994 [1,0,0,1,0,0|1,0,0]=3 405 B10R2.7 C1=CC2=C(C=C1)OCC2 CS20929 [1,0,0,1,0,0|0,0,2]=4 406 B10R2.7 C1=CC2=C(C=C1)OCO2 CS20505 [1,0,0,1,0,0|0,0,2]=4 407 B10R2.7 C1=CC2=C(C=C1)SC=C2 CS16362 [1,0,0,1,0,0|0,1,1]=4 408 B10R2.7 C1=CC2=C(C=C1)SC=N2 CS10992 [1,0,0,1,0,0|1,1,0]=4 409 B10R2.7 C1=CC2=CC=NC=C2O1 MC100123 [1,0,0,1,0,0|2,0,0]=4 410 B10R2.7 C1=CC2=NON=C2C=C1 CS10977 [1,0,0,1,0,0|2,0,0]=4 411 B10R2.7 C1=CC=C2CC=CC2=C1 MC20914 [1,0,0,1,0,0|1,0,0]=3 412 B10R2.7 C1=CC=C2CNCC2=C1 CS11516 [1,0,0,1,0,0|1,0,1]=4 413 B10R2.7 C1=CC=C2CNCC2=C1 MC442466 [1,0,0,1,0,0|1,0,1]=4 414 B10R2.7 C1=CC=C2NC=CC2=C1 CS11496 [1,0,0,1,0,0|1,0,1]=4 415 B10R2.7 C1=CC=C2NCCC2=C1 CS19084 [1,0,0,1,0,0|1,0,1]=4 416 B10R2.7 C1=CC=C2NN=CC2=C1 CS11488 [1,0,0,1,0,0|2,0,0]=4 417 B10R2.7 C1=CC=C2OC=CC2=C1 CS11169 [1,0,0,1,0,0|1,0,0]=3 418 B10R2.7 C1=CN=C2OC=CC2=C1 MC107657 [1,0,0,1,0,0|2,0,0]=4 419 B10R2.32 O=C1CCC2=C1SC=C2 MC429082 [0,0,0,1,1,0|2,0,0]=4 420 B12R2.24 BrC1=CC=C2CCOCC2=C1 CS16547 [0,1,0,1,0,0|1,0,1]=4 421 B12R2.24 BrC1=CC=C2COCCC2=C1 MC441107 [0,1,0,1,0,0|1,0,1]=4 422 B12R2.24 O=C1C=C2C=CC=CC2=NN1 CS16596 [0,1,0,1,0,0|2,0,0]=4 423 B12R2.24 O=C1CCC2=C(C=CC=C2)C1 MC440135 [0,1,0,1,0,0|1,0,0]=3 424 B12R2.24 O=C1CCC2=CC=CC=C2N1 CS11038 [0,1,0,1,0,0|1,0,0]=3 425 B12R2.24 O=C1CCC2=CC=CN=C2N1 MC113033 [0,1,0,1,0,0|2,0,0]=4 426 B12R2.24 O=C1CCC2=CN=CC=C2N1 MC105357 [0,1,0,1,0,0|2,0,0]=4 427 B12R2.24 O=C1CCc2ccccc2O1 MC41795 [0,1,0,1,0,0|1,0,0]=3 428 B12R2.24 O=C1COC2=C(C=CC=C2)N1 CS21568 [0,1,0,1,0,0|2,0,0]=4 429 B12R2.24 O=C1CSC2=CC=CC=C2C1 MC107174 [0,1,0,1,0,0|2,0,0]=4 430 B12R2.132 CC1=C2C=C(Cl)C=CC2=NO1 MC442810 [0,1,0,1,0,0|2,0,0]=4 431 B12R2.132 CC1=CC=C2CCC(=O)C2=C1 MC446759 [0,1,0,1,0,0|1,0,0]=3 432 B12R2.132 NC1=CC2=C(C=C1)COB2O MC443364 [0,1,0,1,0,0|1,0,1]=4 433 B12R2.132 NC1=CC=C2CCC(=O)C2=C1 MC446750 [0,1,0,1,0,0|1,0,0]=3 434 B12R2.132 O=C1CCC2=CC=C(Br)C=C12 CS18733 [0,1,0,1,0,0|1,0,0]=3 435 B12R2.132 O=C1CCC2=CC=C(Cl)C=C12 CS13722 [0,1,0,1,0,0|1,0,0]=3 436 B12R2.132 O=C1CCC2=CC=C(F)C=C12 MC429567 [0,1,0,1,0,0|1,0,0]=3 437 B12R2.132 O=C1CCC2=CC=C(I)C=C12 CS19840 [0,1,0,1,0,0|1,0,0]=3 438 B12R2.132 O=C1CCC2=CC=C(O)C=C12 CS15371 [0,1,0,1,0,0|1,0,0]=3 439 B12R2.132 O=C1COC2=C1C=C(Br)C=C2 CS18239 [0,1,0,1,0,0|2,0,0]=4 440 B12R2.132 O=C1COC2=C1C=C(Cl)C=C2 MC428126 [0,1,0,1,0,0|2,0,0]=4 441 B12R2.132 O=C1COC2=C1C=C(F)C=C2 MC113784 [0,1,0,1,0,0|2,0,0]=4 442 B12R2.132 O=C1COC2=C1C=C(I)C=C2 MC100482 [0,1,0,1,0,0|2,0,0]=4 443 B12R2.132 O=C1NCC2=CC=C(Br)C=C12 CS14261 [0,1,0,1,0,0|1,0,0]=3 444 B12R2.132 O=C1NCC2=NC=C(Br)C=C12 CS17280 [0,1,0,1,0,0|2,0,0]=4 445 B12R2.132 O=C1NOC2=C1C=C(Br)C=C2 CS15251 [0,1,0,1,0,0|2,0,0]=4 446 B12R2.132 O=C1NOC2=C1C=C(Cl)C=C2 MC427277 [0,1,0,1,0,0|2,0,0]=4 447 B12R2.132 O=C1NOC2=C1C=C(F)C=C2 CS16834 [0,1,0,1,0,0|2,0,0]=4 448 B12R2.132 O=C1OCC2=CC=C(Br)C=C12 CS12535 [0,1,0,1,0,0|0,0,0]=2 449 B12R2.2 C1=CC=C(C2=CC=CO2)C=C1 MC114862 [0,1,0,1,0,0|1,0,1]=4 450 B12R2.2 C1=CC=C(C2=CN=CO2)C=C1 CS10486 [0,1,0,1,0,0|1,0,1]=4 451 B12R2.2 C1=CC=C(C2=NC=CO2)C=C1 CS12838 [0,1,0,1,0,0|1,0,1]=4 452 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 MC105058 [0,1,0,1,0,0|1,0,0]=3 453 B12R2.1081 FC1=CC=CC2=C1CC=CO2 MC41786 [0,1,0,1,0,0|1,0,1]=4 454 B12R2.1081 NC1COCC2=CC=CC=C21 MC100130 [0,1,0,1,0,0|1,0,1]=4 455 B12R2.1081 O=C1C=CNC2=CC=CC=C12 CS15452 [0,1,0,1,0,0|1,0,1]=4 456 B12R2.1081 O=C1C=NNC2=CC=CC=C12 CS20704 [0,1,0,1,0,0|2,0,0]=4 457 B12R2.1081 O=C1CCCC2=C1C=CC=N2 CS18351 [0,1,0,1,0,0|2,0,0]=4 458 B12R2.1081 O=C1CCCC2=C1C=CN=C2 CS16479 [0,1,0,1,0,0|2,0,0]=4 459 B12R2.1081 O=C1CCCC2=C1C=NC=C2 CS18873 [0,1,0,1,0,0|2,0,0]=4 460 B12R2.1081 O=C1CCCC2=C1N=CC=C2 CS15049 [0,1,0,1,0,0|2,0,0]=4 461 B12R2.1081 O=C1CCCC2=CC=CC=C12 CS14809 [0,1,0,1,0,0|1,0,0]=3 462 B12R2.1081 O=C1CCNC2=CC=CC=C12 CS15321 [0,1,0,1,0,0|1,0,0]=3 463 B12R2.1081 O=C1CCNC2=CC=CC=C12 MC441207 [0,1,0,1,0,0|1,0,0]=3 464 B12R2.1081 O=C1CCOC2=CC=CC=C12 CS22800 [0,1,0,1,0,0|1,0,0]=3 465 B12R2.1081 O=C1COCC2=C1C=CC=C2 MC41773 [0,1,0,1,0,0|0,0,0]=2 466 B12R2.1081 O=C1NCCC2=CC=CC=C12 CS17872 [0,1,0,1,0,0|1,0,0]=3 467 B12R2.1081 O=C1NCCC2=CC=NC=C12 MC104301 [0,1,0,1,0,0|2,0,0]=4 468 B12R2.1081 O=C1NN=CC2=CC=CC=C12 CS19825 [0,1,0,1,0,0|1,0,1]=4 469 B12R2.1081 O=C1NN=NC2=C1C=CC=C2 MC20712 [0,1,0,1,0,0|2,0,0]=4 470 B12R2.1081 O=C1OCCC2=CC=CC=C12 CS12987 [0,1,0,1,0,0|0,0,0]=2 471 B12R2.2028 O=C1CC(Br)C2=CC=CC=C12 CS22129 [0,1,0,1,0,0|1,0,0]=3 472 B12R2.2028 O=C1NC(=O)C2=CC=CC=C12 MC41774 [0,1,0,1,0,0|1,0,1]=4 473 B12R2.2028 O=C1OC(=O)C2=CC=CC=C12 MC41809 [0,1,0,1,0,0|0,0,1]=3 474 B12R2.2028 O=C1OC(=O)C2=NC=CC=C12 CS15659 [0,1,0,1,0,0|1,0,1]=4 475 B12R2.2028 O=C1O[IH2](O)C2=C1C=CC=C2 MC20691 [0,1,0,1,0,0|1,0,0]=3 476 B12R2.2028 O=C1[N-]C(=O)C2=CC=CC=C12 CS11876 [0,1,0,1,0,0|1,0,1]=4 477 B12R2.32 O=CC1=CC2=C(C=CC=C2)S1 CS10964 [0,1,0,1,0,0|1,0,1]=4 478 B12R2.32 O=CC1=CC2=CC=CC=C2N1 CS18099 [0,1,0,1,0,0|1,0,1]=4 479 B12R2.32 O=CC1=NC2=C(C=CC=C2)N1 MC33243 [0,1,0,1,0,0|2,0,0]=4 480 B12R2.196 CC1=C2CCC(=O)C2=CC=C1 CS14012 [0,1,0,1,0,0|1,0,0]=3 481 B12R2.196 NC1=C2CCC(=O)C2=CC=C1 MC446724 [0,1,0,1,0,0|1,0,0]=3 482 B12R2.196 NC1=C2CNC(=O)C2=CC=C1 CS22586 [0,1,0,1,0,0|1,0,0]=3 483 B12R2.196 NC1=C2COC(=O)C2=CC=C1 CS14004 [0,1,0,1,0,0|0,0,0]=2 484 B12R2.196 O=C1CCC2=C(Br)C=CC=C12 CS10966 [0,1,0,1,0,0|1,0,0]=3 485 B12R2.196 O=C1CCC2=C(Cl)C=CC=C12 CS18751 [0,1,0,1,0,0|1,0,0]=3 486 B12R2.196 O=C1CCC2=C(F)C=CC=C12 MC442503 [0,1,0,1,0,0|1,0,0]=3 487 B12R2.196 O=C1CCC2=C(O)C=CC=C12 CS19922 [0,1,0,1,0,0|1,0,0]=3 488 B12R2.196 O=C1COC2=C1C=CC=C2F MC113785 [0,1,0,1,0,0|2,0,0]=4 489 B12R2.196 O=C1COC2=C1C=CC=C2I MC114833 [0,1,0,1,0,0|2,0,0]=4 490 B12R2.196 O=C1CSC2=C1C=CC=C2F MC107892 [0,1,0,1,0,0|2,0,0]=4 491 B12R2.196 O=C1NCC2=C(O)C=CC=C12 CS14659 [0,1,0,1,0,0|1,0,0]=3 492 B12R2.196 O=C1OCC2=C(Br)C=CC=C12 CS22636 [0,1,0,1,0,0|0,0,0]=2 493 B12R2.203 O=C1CCC2=CC=CC(Br)=C12 MC106557 [0,1,0,1,0,0|1,0,0]=3 494 B12R2.203 O=C1CCC2=CC=CC(Cl)=C12 MC429388 [0,1,0,1,0,0|1,0,0]=3 495 B12R2.203 O=C1CCC2=CC=CC(F)=C12 CS15500 [0,1,0,1,0,0|1,0,0]=3 496 B12R2.203 O=C1CCC2=CC=CC(I)=C12 MC113777 [0,1,0,1,0,0|1,0,0]=3 497 B12R2.203 O=C1CCC2=CC=CC(O)=C12 CS12591 [0,1,0,1,0,0|1,0,0]=3 498 B12R2.203 O=C1COC2=C1C(F)=CC=C2 MC113791 [0,1,0,1,0,0|2,0,0]=4 499 B12R2.203 O=C1NCC2=CC=CC(Br)=C12 CS14262 [0,1,0,1,0,0|1,0,0]=3 500 B12R2.203 O=C1NCC2=CC=CC(I)=C12 MC100883 [0,1,0,1,0,0|1,0,0]=3 501 B12R2.612 CC1=CC2=C(C=C1)C(=O)NO2 MC115929 [0,1,0,1,0,0|2,0,0]=4 502 B12R2.612 CC1=CC=C2C(=O)CCC2=C1 MC446693 [0,1,0,1,0,0|1,0,0]=3 503 B12R2.612 NC1=CC=C2C(=O)CCC2=C1 MC446737 [0,1,0,1,0,0|1,0,0]=3 504 B12R2.612 NC1=CC=C2C(=O)NCC2=C1 MC100084 [0,1,0,1,0,0|1,0,0]=3 505 B12R2.612 O=C1CCC2=CC(Br)=CC=C12 CS21498 [0,1,0,1,0,0|1,0,0]=3 506 B12R2.612 O=C1CCC2=CC(Cl)=CC=C12 CS22043 [0,1,0,1,0,0|1,0,0]=3 507 B12R2.612 O=C1CCC2=CC(F)=CC=C12 MC10164 [0,1,0,1,0,0|1,0,0]=3 508 B12R2.612 O=C1CCC2=CC(O)=CC=C12 CS11017 [0,1,0,1,0,0|1,0,0]=3 509 B12R2.612 O=C1COC2=C1C=CC(Br)=C2 MC115907 [0,1,0,1,0,0|2,0,0]=4 510 B12R2.612 O=C1COC2=C1C=CC(Cl)=C2 CS15082 [0,1,0,1,0,0|2,0,0]=4 511 B12R2.612 O=C1COC2=C1C=CC(O)=C2 CS20793 [0,1,0,1,0,0|2,0,0]=4 512 B12R2.612 O=C1NCC2=CC(Br)=CC=C12 CS12118 [0,1,0,1,0,0|1,0,0]=3 513 B12R2.612 O=C1NCC2=CC(Br)=CN=C12 MC111565 [0,1,0,1,0,0|2,0,0]=4 514 B12R2.612 O=C1NCC2=CC(Cl)=CC=C12 CS10349 [0,1,0,1,0,0|1,0,0]=3 515 B12R2.612 O=C1NCC2=CC(F)=CC=C12 CS15892 [0,1,0,1,0,0|1,0,0]=3 516 B12R2.612 O=C1NCC2=CC(O)=CC=C12 CS15015 [0,1,0,1,0,0|1,0,0]=3 517 B12R2.612 O=C1NNC2=CC(F)=CC=C12 CS10702 [0,1,0,1,0,0|2,0,0]=4 518 B12R2.612 O=C1NOC2=C1C=CC(F)=C2 CS16833 [0,1,0,1,0,0|2,0,0]=4 519 B12R2.612 O=C1OCC2=C1C=NC(Cl)=C2 MC104939 [0,1,0,1,0,0|1,0,0]=3 520 B12R2.612 O=C1OCC2=CC(Br)=CC=C12 CS10666 [0,1,0,1,0,0|0,0,0]=2 521 B12R2.612 O=C1OCC2=CC(F)=CC=C12 MC113738 [0,1,0,1,0,0|0,0,0]=2 522 B12R2.1 O=CC1=CNC2=CC=CC=C12 CS21525 [0,1,0,1,0,0|1,0,1]=4 523 B12R2.1 O=CC1=CSC2=C1C=CC=C2 CS21482 [0,1,0,1,0,0|1,0,1]=4 524 B12R2.1 O=CC1=NNC2=CC=CC=C21 CS20713 [0,1,0,1,0,0|2,0,0]=4 525 B12R2.23 O=C1CCC1C2=CC=CC=C2 MC104226 [0,1,0,1,0,0|1,0,0]=3 526 B12R2.18 CC1CC2=CC=CC=C2C1=O MC446688 [0,1,0,1,0,0|1,0,0]=3 527 B12R2.18 CN1NC2=CC=CC=C2C1=O MC442274 [0,1,0,1,0,0|2,0,0]=4 528 B12R2.18 O=C1NC2=CC=CC=C2C1=O CS11506 [0,1,0,1,0,0|2,0,0]=4 529 B8R1.8 O=CCC1=CC=CS1 CS17423 [1,0,0,0,1,0|1,0,0]=3