0 B10R1.17 BrCCOC1=CC=CC=C1 MC20150 [0,0,0,0,0,0|2,0,2]=4 1 B10R1.17 Br[Zn]CCc1ccccc1 MC121341 [0,0,0,0,0,0|2,0,2]=4 2 B10R1.17 CNCCC1=CC=CC=C1 MC446670 [0,0,0,0,0,0|2,0,2]=4 3 B10R1.17 ClCCOC1=CC=CC=C1 MC33174 [0,0,0,0,0,0|2,0,2]=4 4 B10R1.17 ClC\C=C\C1=CC=CC=C1 MC41818 [0,0,0,0,0,0|1,0,1]=2 5 B10R1.17 N#CC#CC1=CC=CC=C1 CS16032 [0,0,0,0,0,0|1,0,3]=4 6 B10R1.17 NCCOC1=CC=CC=C1 CS20484 [0,0,0,0,0,0|2,0,2]=4 7 B10R1.17 O=CC#CC1=CC=CC=C1 CS18196 [0,0,0,0,0,0|0,0,2]=2 8 B10R1.17 OCCOC1=CC=CC=C1 MC41398 [0,0,0,0,0,0|1,0,3]=4 9 B9R1.8 BrCCC1=CC=CC=C1 MC40571 [1,0,0,0,0,0|1,0,2]=4 10 B9R1.8 Br[Zn]Cc1ccccc1 MC121333 [1,0,0,0,0,0|2,0,1]=4 11 B9R1.8 CCNC1=CC=CC=C1 MC40913 [1,0,0,0,0,0|1,0,2]=4 12 B9R1.8 CNCC1=CC=CC=C1 MC10559 [1,0,0,0,0,0|1,0,2]=4 13 B9R1.8 CNCC1=CC=CC=C1 MC20323 [1,0,0,0,0,0|1,0,2]=4 14 B9R1.8 CNCC1=CC=CC=C1 MC21006 [1,0,0,0,0,0|1,0,2]=4 15 B9R1.8 ClCCC1=CC=CC=C1 MC40609 [1,0,0,0,0,0|1,0,2]=4 16 B9R1.8 FCCC1=CC=CC=C1 MC41557 [1,0,0,0,0,0|1,0,2]=4 17 B9R1.8 NCCC1=CC=CC=C1 MC40983 [1,0,0,0,0,0|1,0,2]=4 18 B9R1.8 NNCC1=CC=CC=C1 CS11006 [1,0,0,0,0,0|2,0,1]=4 19 B9R1.8 NNCC1=CC=CC=C1 CS12127 [1,0,0,0,0,0|2,0,1]=4 20 B9R1.8 NOCC1=CC=CC=C1 CS14063 [1,0,0,0,0,0|2,0,1]=4 21 B9R1.8 O=C=NC1=CC=CC=C1 MC41051 [1,0,0,0,0,0|1,0,1]=3 22 B9R1.8 O=CCC1=CC=CN=C1 MC106360 [1,0,0,0,0,0|1,0,1]=3 23 B9R1.8 O=CCC1=CC=NC=C1 MC106357 [1,0,0,0,0,0|1,0,1]=3 24 B9R1.8 O=CCC1=NC=CC=N1 MC105911 [1,0,0,0,0,0|2,0,1]=4 25 B9R1.8 O=CNC1=CC=CC=C1 MC40924 [1,0,0,0,0,0|1,0,0]=2 26 B9R1.8 O=COC1=CC=CC=C1 MC40136 [1,0,0,0,0,0|1,0,0]=2 27 B9R1.8 OCCC1=CC=CC=C1 MC40745 [1,0,0,0,0,0|0,0,3]=4 28 B9R1.8 ONCC1=CC=CC=C1 CS11753 [1,0,0,0,0,0|1,0,2]=4 29 B11R1.1 CC1=CC=C(\C=C\C=O)C=C1 CS16393 [0,1,0,0,0,0|0,0,0]=1 30 B11R1.1 N#C\C=C\C1=CC=C(F)C=C1 MC107446 [0,1,0,0,0,0|1,0,1]=3 31 B11R1.1 O=C=NCC1=CC=C(F)C=C1 MC433986 [0,1,0,0,0,0|1,0,2]=4 32 B11R1.1 O=C\C=C\C1=CC=C(F)C=C1 CS14013 [0,1,0,0,0,0|0,0,0]=1 33 B11R1.16 CC(N=C=O)C1=CC=CC=C1 MC20438 [0,1,0,0,0,0|1,0,2]=4 34 B11R1.16 N#CCC(=O)C1=CC=CC=C1 CS10995 [0,1,0,0,0,0|1,0,2]=4 35 B11R1.16 O=C(CCCl)C1=CC=CC=C1 MC41279 [0,1,0,0,0,0|1,0,2]=4 36 B11R1.16 O=C(N=C=S)C1=CC=CC=C1 MC41078 [0,1,0,0,0,0|1,1,1]=4 37 B11R1.17 N#C\C=C\C1=CC=CN=C1Br MC102524 [0,1,0,0,0,0|2,0,1]=4 38 B11R1.17 O=CCCC1=C(Cl)C=CC=C1 MC106741 [0,1,0,0,0,0|0,0,2]=3 39 B11R1.28 C=CCOCC1=CC=CC=C1 MC425090 [0,1,0,0,0,0|1,0,2]=4 40 B11R1.28 Cl[Zn]C\C=C\c1ccccc1 MC116079 [0,1,0,0,0,0|1,0,1]=3 41 B11R1.28 O=CCOCC1=CC=CC=C1 MC429084 [0,1,0,0,0,0|0,0,2]=3 42 B11R1.40 CCC(=O)CC1=CC=CC=C1 MC41289 [0,1,0,0,0,0|1,0,2]=4 43 B11R1.40 O=C(CO)CC1=CC=CC=C1 MC107738 [0,1,0,0,0,0|0,0,3]=4 44 B11R1.91 CC(=O)COC1=CC=CC=C1 MC433248 [0,1,0,0,0,0|1,0,1]=3 45 B11R1.91 CC(=O)OCC1=CC=CN=C1 MC33425 [0,1,0,0,0,0|2,0,1]=4 46 B11R1.91 NC(=O)OCC1=CC=CC=C1 MC428066 [0,1,0,0,0,0|1,0,1]=3 47 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 CS21725 [0,1,0,0,0,0|0,0,0]=1 48 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 MC42251 [0,1,0,0,0,0|1,0,1]=3 49 B11R1.91 O=C(O)C#CC1=CC=CC=C1 CS10957 [0,1,0,0,0,0|0,0,2]=3 50 B11R1.91 O=C(O)CNC1=CC=NC=C1 MC425129 [0,1,0,0,0,0|2,0,1]=4 51 B11R1.91 O=C(O)CNC1=CC=NC=C1 MC425915 [0,1,0,0,0,0|2,0,1]=4 52 B11R1.91 O=C(O)CNc1ccccc1 MC439073 [0,1,0,0,0,0|1,0,1]=3 53 B11R1.91 O=C(O)COC1=CC=NC=C1 MC443726 [0,1,0,0,0,0|2,0,1]=4 54 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 MC40211 [0,1,0,0,0,0|0,0,0]=1 55 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 MC20186 [0,1,0,0,0,0|1,0,0]=2 56 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 MC20799 [0,1,0,0,0,0|1,0,0]=2 57 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 CS20444 [0,1,0,0,0,0|1,0,2]=4 58 B11R1.91 O=[N+]([O-])\C=C\C1=CC=CC=C1 MC443830 [0,1,0,0,0,0|1,0,0]=2 59 B11R1.91 OB(O)\C=C\C1=CC=CC=C1 MC442565 [0,1,0,0,0,0|1,0,1]=3 60 B11R2.1 BrC1=C2C=CC=CN2N=C1 CS17352 [0,0,0,1,0,0|3,0,0]=4 61 B11R2.1 BrC1=CN=C2C=CC=CN12 MC442520 [0,0,0,1,0,0|3,0,0]=4 62 B11R2.1 BrC1=CNC2=CC=CN=C12 CS13195 [0,0,0,1,0,0|3,0,0]=4 63 B11R2.1 BrC1=CNC2=CN=CC=C12 CS18417 [0,0,0,1,0,0|3,0,0]=4 64 B11R2.1 BrC1=CNC2=NC=CC=C12 MC427497 [0,0,0,1,0,0|3,0,0]=4 65 B11R2.1 BrC1=COC2=C1C=CC=C2 CS20626 [0,0,0,1,0,0|2,0,0]=3 66 B11R2.1 BrC1=CSC2=C1C=NC=C2 MC106813 [0,0,0,1,0,0|3,0,0]=4 67 B11R2.1 BrC1=CSC2=CC=CN=C12 MC103962 [0,0,0,1,0,0|3,0,0]=4 68 B11R2.1 BrC1=CSC2=NC=CC=C12 CS15651 [0,0,0,1,0,0|3,0,0]=4 69 B11R2.1 BrC1=NNC2=CC=CC=C21 MC442207 [0,0,0,1,0,0|3,0,0]=4 70 B11R2.1 CC1=CCC2=CC=CC=C12 MC106180 [0,0,0,1,0,0|1,0,1]=3 71 B11R2.1 CC1=CNC2=C1C=NC=C2 MC443768 [0,0,0,1,0,0|3,0,0]=4 72 B11R2.1 CC1=CNC2=CC=CC=C12 CS11030 [0,0,0,1,0,0|2,0,0]=3 73 B11R2.1 CC1=CNC2=NC=CC=C12 CS22368 [0,0,0,1,0,0|3,0,0]=4 74 B11R2.1 CC1=COC2=C1C=CC=C2 MC30270 [0,0,0,1,0,0|2,0,0]=3 75 B11R2.1 CC1=NNC2=CC=CC=C21 CS17372 [0,0,0,1,0,0|3,0,0]=4 76 B11R2.1 CC1=NOC2=C1C=CC=C2 CS22352 [0,0,0,1,0,0|3,0,0]=4 77 B11R2.1 CN1C=CC2=CC=CC=C21 CS11026 [0,0,0,1,0,0|2,0,0]=3 78 B11R2.1 CN1C=CC2=CC=CN=C21 CS20755 [0,0,0,1,0,0|3,0,0]=4 79 B11R2.1 ClC1=CNC2=CC=CC=C12 MC427199 [0,0,0,1,0,0|2,0,0]=3 80 B11R2.1 ClC1=COC2=C1C=CC=C2 MC114725 [0,0,0,1,0,0|2,0,0]=3 81 B11R2.1 ClC1=NOC2=C1C=CC=C2 CS19970 [0,0,0,1,0,0|3,0,0]=4 82 B11R2.1 IC1=CNC2=C1C=NC=C2 CS22326 [0,0,0,1,0,0|3,0,0]=4 83 B11R2.1 IC1=CNC2=CC=CN=C12 CS15332 [0,0,0,1,0,0|3,0,0]=4 84 B11R2.1 IC1=CNC2=CN=CC=C12 CS15083 [0,0,0,1,0,0|3,0,0]=4 85 B11R2.1 IC1=CNC2=NC=CC=C12 MC444281 [0,0,0,1,0,0|3,0,0]=4 86 B11R2.1 IC1=CSC2=C1C=CC=C2 CS22329 [0,0,0,1,0,0|2,0,0]=3 87 B11R2.1 NC1=CNC2=C1C=NC=C2 MC111232 [0,0,0,1,0,0|3,0,0]=4 88 B11R2.1 NC1=CNC2=C1C=NC=C2 MC111865 [0,0,0,1,0,0|3,0,0]=4 89 B11R2.1 NC1=CNC2=CC=CN=C12 MC102979 [0,0,0,1,0,0|3,0,0]=4 90 B11R2.1 NC1=CSC2=C1C=CC=C2 CS13998 [0,0,0,1,0,0|2,0,0]=3 91 B11R2.1 NC1=NNC2=CC=CC=C21 CS20708 [0,0,0,1,0,0|3,0,0]=4 92 B11R2.1 NC1=NOC2=C1C=CC=C2 CS20240 [0,0,0,1,0,0|3,0,0]=4 93 B11R2.1 NC1=NSC2=C1C=CC=C2 CS13975 [0,0,0,1,0,0|3,0,0]=4 94 B11R2.1 NN1C=CC2=CC=CC=C21 CS19942 [0,0,0,1,0,0|2,0,0]=3 95 B11R2.1 O=C1CCC2=CC=CC=C12 CS18668 [0,0,0,1,0,0|0,0,2]=3 96 B11R2.1 O=C1CCC2=CC=CN=C12 CS10816 [0,0,0,1,0,0|1,0,2]=4 97 B11R2.1 O=C1CCC2=NC=CC=C12 CS18212 [0,0,0,1,0,0|1,0,2]=4 98 B11R2.1 O=C1COC2=C1C=CC=C2 CS20787 [0,0,0,1,0,0|1,0,1]=3 99 B11R2.1 O=C1COC2=CC=CN=C12 MC103039 [0,0,0,1,0,0|2,0,1]=4 100 B11R2.1 O=C1COC2=NC=CC=C12 MC441318 [0,0,0,1,0,0|2,0,1]=4 101 B11R2.1 O=C1CSC2=C1C=CC=C2 CS20606 [0,0,0,1,0,0|1,0,1]=3 102 B11R2.1 O=C1NCC2=CC=CC=C12 CS11515 [0,0,0,1,0,0|1,0,1]=3 103 B11R2.1 O=C1NNC2=CC=CC=C12 MC441212 [0,0,0,1,0,0|2,0,0]=3 104 B11R2.1 O=C1NNC2=CC=CN=C12 CS16829 [0,0,0,1,0,0|3,0,0]=4 105 B11R2.1 O=C1NNC2=CN=CC=C12 MC33248 [0,0,0,1,0,0|3,0,0]=4 106 B11R2.1 O=C1NNC2=NC=CC=C12 CS13662 [0,0,0,1,0,0|3,0,0]=4 107 B11R2.1 O=C1NSC2=C1C=CC=C2 CS14057 [0,0,0,1,0,0|2,0,0]=3 108 B11R2.1 O=C1OCC2=CC=CC=C12 CS11853 [0,0,0,1,0,0|1,0,1]=3 109 B11R2.1 O=C1OCC2=NC=CC=C12 CS11423 [0,0,0,1,0,0|2,0,1]=4 110 B11R2.1 O=C1SSC2=C1C=CC=C2 MC428208 [0,0,0,1,0,0|2,0,0]=3 111 B11R2.1 O=S1C=NC2=C1C=CC=C2 MC31232 [0,0,0,1,0,0|2,0,0]=3 112 B11R2.1 OC1=NOC2=C1C=CC=C2 MC442249 [0,0,0,1,0,0|2,0,1]=4 113 B11R2.20 C1=CC2=CC=NC=C2C=N1 MC442537 [0,0,0,1,0,0|3,0,0]=4 114 B11R2.20 C1=CC2=CN=CC=C2C=N1 MC111272 [0,0,0,1,0,0|3,0,0]=4 115 B11R2.20 C1=CC2=CN=CC=C2N=C1 MC442547 [0,0,0,1,0,0|2,0,0]=3 116 B11R2.20 C1=CC=C2C=NC=CC2=C1 CS19770 [0,0,0,1,0,0|2,0,0]=3 117 B11R2.20 C1=CC=C2C=NN=CC2=C1 CS10532 [0,0,0,1,0,0|3,0,0]=4 118 B11R2.20 C1=CC=C2CC=CCC2=C1 CS11050 [0,0,0,1,0,0|1,0,1]=3 119 B11R2.20 C1=CC=C2N=CC=CC2=C1 CS11929 [0,0,0,1,0,0|1,0,0]=2 120 B11R2.20 C1=CC=C2N=CC=NC2=C1 CS11932 [0,0,0,1,0,0|2,0,0]=3 121 B11R2.20 C1=CC=C2N=CN=CC2=C1 CS11926 [0,0,0,1,0,0|2,0,0]=3 122 B11R2.20 C1=CC=C2N=NC=CC2=C1 CS11145 [0,0,0,1,0,0|2,0,0]=3 123 B11R2.20 C1=CN=C2C=CC=NC2=C1 CS20548 [0,0,0,1,0,0|2,0,0]=3 124 B9R1.12 O=C\C=C\C1=CC=CO1 CS21800 [0,0,0,0,1,0|1,0,0]=2 125 B9R1.12 O=C\C=C\C1=CC=CO1 CS21801 [0,0,0,0,1,0|1,0,0]=2 126 B8R1.2 C#CC1=CC=CC=C1 CS19127 [2,0,0,0,0,0|0,0,2]=4 127 B8R1.2 CCC1=CC=CC=C1 MC41556 [2,0,0,0,0,0|0,0,2]=4 128 B8R1.2 CNC1=CC=CC=C1 CS11792 [2,0,0,0,0,0|1,0,1]=4 129 B8R1.2 COC1=CC=CC=C1 MC41309 [2,0,0,0,0,0|1,0,1]=4 130 B8R1.2 CSC1=CC=CC=C1 MC439137 [2,0,0,0,0,0|1,0,1]=4 131 B8R1.2 ICC1=CC=CC=C1 CS11000 [2,0,0,0,0,0|1,0,1]=4 132 B8R1.2 I[Zn]c1ccccc1 MC121332 [2,0,0,0,0,0|2,0,0]=4 133 B8R1.2 N#CC1=CC=CC=C1 MC40623 [2,0,0,0,0,0|1,0,1]=4 134 B8R1.2 N#Cc1ccccc1 CS13696 [2,0,0,0,0,0|1,0,1]=4 135 B8R1.2 NCC1=CC=CC=C1 MC40797 [2,0,0,0,0,0|1,0,1]=4 136 B8R1.2 NNC1=CC=CC=C1 CS15210 [2,0,0,0,0,0|2,0,0]=4 137 B8R1.2 NNC1=CC=CC=C1 MC427075 [2,0,0,0,0,0|2,0,0]=4 138 B8R1.2 O=CC1=CC=CN=N1 MC121079 [2,0,0,0,0,0|2,0,0]=4 139 B8R1.2 O=CC1=CN=CC=C1 CS19090 [2,0,0,0,0,0|1,0,0]=3 140 B8R1.2 O=CC1=CN=CN=C1 CS19643 [2,0,0,0,0,0|2,0,0]=4 141 B8R1.2 O=CC1=CN=NC=C1 MC444362 [2,0,0,0,0,0|2,0,0]=4 142 B8R1.2 O=CC1=NC=CC=C1 CS18610 [2,0,0,0,0,0|1,0,0]=3 143 B8R1.2 O=CC1=NC=CC=N1 MC444571 [2,0,0,0,0,0|2,0,0]=4 144 B8R1.2 O=CC1=NC=CN=C1 CS18375 [2,0,0,0,0,0|2,0,0]=4 145 B8R1.2 O=NC1=CC=CC=C1 MC33163 [2,0,0,0,0,0|1,0,0]=3 146 B8R1.2 OCC1=CC=CC=C1 MC40684 [2,0,0,0,0,0|0,0,2]=4 147 B10R1.1 C=COC1=CC=C(I)C=C1 MC103309 [1,1,0,0,0,0|1,0,0]=3 148 B10R1.1 O=C=NC1=CC=C(Br)C=C1 MC41032 [1,1,0,0,0,0|1,0,1]=4 149 B10R1.1 O=C=NC1=CC=C(F)C=C1 MC33036 [1,1,0,0,0,0|1,0,1]=4 150 B10R1.1 O=CCC1=CC=C(Br)C=C1 CS18203 [1,1,0,0,0,0|0,0,1]=3 151 B10R1.1 O=CNC1=CC=C(Cl)C=C1 MC103067 [1,1,0,0,0,0|1,0,0]=3 152 B10R1.4 O=C=NC1=C(Br)C=CC=C1 MC41031 [1,1,0,0,0,0|1,0,1]=4 153 B10R1.4 O=C=NC1=C(F)C=CC=C1 MC429405 [1,1,0,0,0,0|1,0,1]=4 154 B10R1.4 O=CCC1=C(F)C=CC=C1 MC431003 [1,1,0,0,0,0|0,0,1]=3 155 B10R1.4 O\N=C\C1=C(F)C=CC=C1 MC106948 [1,1,0,0,0,0|1,0,1]=4 156 B10R1.4 O\N=C\C1=C(F)C=CC=C1 MC433456 [1,1,0,0,0,0|1,0,1]=4 157 B10R1.10 C=CCC1=CC=CC(O)=C1 MC425380 [1,1,0,0,0,0|0,0,1]=3 158 B10R1.10 O=C=NC1=CC(F)=CC=C1 MC41043 [1,1,0,0,0,0|1,0,1]=4 159 B10R1.10 O=CCC1=CC(O)=CC=C1 MC106361 [1,1,0,0,0,0|0,0,1]=3 160 B10R1.15 C=C(C#N)C1=CC=CC=C1 MC106124 [1,1,0,0,0,0|1,0,1]=4 161 B10R1.15 C=C(CBr)C1=CC=CC=C1 CS20091 [1,1,0,0,0,0|1,0,1]=4 162 B10R1.15 C=CC(N)C1=CC=CC=C1 MC102512 [1,1,0,0,0,0|0,0,1]=3 163 B10R1.15 CN(C=O)C1=CC=CC=C1 CS11793 [1,1,0,0,0,0|1,0,0]=3 164 B10R1.15 COC(=O)C1=CC=CC=C1 MC40065 [1,1,0,0,0,0|1,0,1]=4 165 B10R1.15 C\C(=C\Br)C1=CC=NC=C1 MC111870 [1,1,0,0,0,0|2,0,0]=4 166 B10R1.15 NCC(=O)C1=CC=CC=C1 CS10874 [1,1,0,0,0,0|1,0,1]=4 167 B10R1.15 NNC(=O)C1=CC=CC=C1 CS10971 [1,1,0,0,0,0|2,0,0]=4 168 B10R1.15 O=C(CBr)C1=CC=CC=C1 CS19274 [1,1,0,0,0,0|1,0,1]=4 169 B10R1.15 O=C(CCl)C1=CC=CC=C1 MC20159 [1,1,0,0,0,0|1,0,1]=4 170 B10R1.15 O=C(CI)C1=CC=CC=C1 MC433244 [1,1,0,0,0,0|1,0,1]=4 171 B10R1.18 BrC(Br)=CC1=CC=CC=C1 CS16193 [1,1,0,0,0,0|1,0,0]=3 172 B10R1.18 CC(=O)CC1=CC=CN=C1 MC102696 [1,1,0,0,0,0|1,0,1]=4 173 B10R1.18 CC(=O)CC1=CC=NC=C1 CS20988 [1,1,0,0,0,0|1,0,1]=4 174 B10R1.18 CC(=O)CC1=NC=CC=C1 CS20802 [1,1,0,0,0,0|1,0,1]=4 175 B10R1.18 CC(=O)NC1=CC=CC=C1 MC34102 [1,1,0,0,0,0|1,0,0]=3 176 B10R1.18 NC(=O)NC1=CC=CC=C1 CS10533 [1,1,0,0,0,0|1,0,0]=3 177 B10R1.18 NC(=O)OC1=CC=CC=C1 MC428148 [1,1,0,0,0,0|1,0,0]=3 178 B10R1.18 O=C(Cl)OC1=CC=CC=C1 CS18823 [1,1,0,0,0,0|1,0,0]=3 179 B10R1.18 O=C(O)CC1=CC=CN=C1 CS20325 [1,1,0,0,0,0|1,0,1]=4 180 B10R1.18 O=C(O)CC1=CC=NC=C1 CS20327 [1,1,0,0,0,0|1,0,1]=4 181 B10R1.18 O=C(O)CC1=CC=NC=C1 MC41632 [1,1,0,0,0,0|1,0,1]=4 182 B10R1.18 O=C(O)CC1=NC=CC=C1 MC41631 [1,1,0,0,0,0|1,0,1]=4 183 B10R1.18 O=C([O-])CC1=CC=CC=C1 MC34448 [1,1,0,0,0,0|0,0,1]=3 184 B10R1.16 CC1=CC=C(\C=C\C=O)O1 CS17008 [0,1,0,0,1,0|1,0,0]=3 185 B10R1.66 O=C(O)\C=C\C1=CC=CO1 MC41690 [0,1,0,0,1,0|1,0,0]=3 186 B10R1.66 O=C(O)\C=C\C1=COC=C1 MC425866 [0,1,0,0,1,0|1,0,0]=3 187 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 CS14964 [0,2,0,0,0,0|0,0,2]=4 188 B12R1.21 CC(=O)\C=C\C1=CC=C(Br)C=C1 MC431712 [0,2,0,0,0,0|0,0,0]=2 189 B12R1.21 CC(=O)\C=C\C1=CC=C(Cl)C=C1 MC41308 [0,2,0,0,0,0|0,0,0]=2 190 B12R1.21 CC(O)\C=C\C1=CC=C(Br)C=C1 MC106116 [0,2,0,0,0,0|0,0,2]=4 191 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 MC40217 [0,2,0,0,0,0|0,0,0]=2 192 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 CS21832 [0,2,0,0,0,0|0,0,2]=4 193 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 CS21674 [0,2,0,0,0,0|0,0,2]=4 194 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 CS19854 [0,2,0,0,0,0|0,0,2]=4 195 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 CS21107 [0,2,0,0,0,0|0,0,2]=4 196 B12R1.21 O=C(O)CSC1=CC=C(F)C=C1 MC41825 [0,2,0,0,0,0|1,0,1]=4 197 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 CS21504 [0,2,0,0,0,0|0,0,0]=2 198 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 MC429571 [0,2,0,0,0,0|0,0,0]=2 199 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 CS15820 [0,2,0,0,0,0|0,0,0]=2 200 B12R1.21 O=[N+]([O-])\C=C\C1=CC=C(F)C=C1 MC41593 [0,2,0,0,0,0|1,0,0]=3 201 B12R1.21 O=[N+]([O-])\C=C\C1=CC=C(O)C=C1 CS22887 [0,2,0,0,0,0|1,0,0]=3 202 B12R1.21 OB(O)\C=C\C1=CC=C(F)C=C1 MC443815 [0,2,0,0,0,0|1,0,1]=4 203 B12R1.34 COC(=O)C(=O)C1=CC=CC=C1 MC20896 [0,2,0,0,0,0|2,0,0]=4 204 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 CS20784 [0,2,0,0,0,0|0,0,1]=3 205 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 MC42229 [0,2,0,0,0,0|0,0,2]=4 206 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 MC428246 [0,2,0,0,0,0|0,0,2]=4 207 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 CS22312 [0,2,0,0,0,0|0,0,2]=4 208 B12R1.107 O=C([O-])CC(=O)C1=CC=CC=C1 CS17400 [0,2,0,0,0,0|0,0,1]=3 209 B12R1.121 COC1=C(OCC=O)C=CC=C1 MC112452 [0,2,0,0,0,0|1,0,1]=4 210 B12R1.121 COC1=C(\C=C\C=O)C=CC=C1 CS15311 [0,2,0,0,0,0|0,0,0]=2 211 B12R1.125 O=C(O)CCC1=C(Br)C=CC=C1 CS21656 [0,2,0,0,0,0|0,0,2]=4 212 B12R1.125 O=C(O)CNC1=C(F)C=CC=C1 MC106617 [0,2,0,0,0,0|1,0,1]=4 213 B12R1.125 O=C(O)CNc1ccccc1Cl MC439220 [0,2,0,0,0,0|1,0,1]=4 214 B12R1.125 O=C(O)\C=C\C1=C(Cl)C=CC=C1 CS10967 [0,2,0,0,0,0|0,0,0]=2 215 B12R1.374 FC1=CC(\C=C\CCl)=C(F)C=C1 MC115446 [0,2,0,0,0,0|1,0,1]=4 216 B12R1.374 O=C\C=C\C1=C(O)C=CC(Cl)=C1 MC111789 [0,2,0,0,0,0|0,0,0]=2 217 B12R1.50 C=CC(=O)NC1=CC(N)=CC=C1 MC107629 [0,2,0,0,0,0|2,0,0]=4 218 B12R1.100 CC1=CC(\C=C\C#N)=CC(I)=C1 MC434045 [0,2,0,0,0,0|1,0,1]=4 219 B12R1.226 O=C(O)CCC1=CC(Br)=CC=C1 CS21658 [0,2,0,0,0,0|0,0,2]=4 220 B12R1.226 O=C(O)CCC1=CC(Cl)=CC=C1 CS13948 [0,2,0,0,0,0|0,0,2]=4 221 B12R1.226 O=C(O)CCc1cccc(F)c1 MC40203 [0,2,0,0,0,0|0,0,2]=4 222 B12R1.226 O=C(O)\C=C\C1=CC(Br)=CC=C1 CS21499 [0,2,0,0,0,0|0,0,0]=2 223 B12R1.226 O=C(O)\C=C\C1=CC(Cl)=CC=C1 CS21503 [0,2,0,0,0,0|0,0,0]=2 224 B12R1.226 O=C(O)\C=C\C1=CC(Cl)=CC=C1 MC40208 [0,2,0,0,0,0|0,0,0]=2 225 B12R1.226 O=C(O)\C=C\C1=CC(F)=CC=C1 CS10976 [0,2,0,0,0,0|0,0,0]=2 226 B12R1.226 O=C(O)\C=C\C1=CC(F)=CC=C1 MC40216 [0,2,0,0,0,0|0,0,0]=2 227 B12R1.226 O=[N+]([O-])\C=C\C1=CC=CC(Cl)=C1 MC41592 [0,2,0,0,0,0|1,0,0]=3 228 B12R1.226 O=[N+]([O-])\C=C\C1=CC=CC(F)=C1 MC443665 [0,2,0,0,0,0|1,0,0]=3 229 B12R1.382 CO\C=C\C1=CC=CC(C#N)=C1 MC103104 [0,2,0,0,0,0|2,0,0]=4 230 B12R1.27 COC(=O)CCC1=CC=CC=C1 MC433965 [0,2,0,0,0,0|0,0,2]=4 231 B12R1.27 NCC(=O)OCC1=CC=CC=C1 MC428105 [0,2,0,0,0,0|1,0,1]=4 232 B12R1.27 NCC(=O)OCc1ccccc1 MC437714 [0,2,0,0,0,0|1,0,1]=4 233 B12R1.27 NCC(=O)OCc1ccccc1 MC437715 [0,2,0,0,0,0|1,0,1]=4 234 B12R1.27 NNC(=O)OCC1=CC=CC=C1 CS20449 [0,2,0,0,0,0|1,0,1]=4 235 B12R1.27 NNC(=O)OCc1ccccc1 MC438484 [0,2,0,0,0,0|1,0,1]=4 236 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 CS19947 [0,2,0,0,0,0|1,0,1]=4 237 B12R1.252 CC(=O)OCCC1=CC=CC=C1 MC40009 [0,2,0,0,0,0|0,0,2]=4 238 B12R1.252 CC(C)=CCSC1=CC=CC=C1 MC41831 [0,2,0,0,0,0|1,0,1]=4 239 B12R1.252 O=C(O)CCOC1=CC=CC=C1 MC40204 [0,2,0,0,0,0|0,0,2]=4 240 B12R1.252 O=C(O)CNCC1=CC=CC=C1 CS21182 [0,2,0,0,0,0|0,0,2]=4 241 B12R1.252 O=C(O)COCC1=CC=CC=C1 CS14115 [0,2,0,0,0,0|0,0,2]=4 242 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O MC445160 [0,2,0,0,0,0|0,0,1]=3 243 B12R1.43 CC(NC1=CC=CC=C1)C(=O)O MC20809 [0,2,0,0,0,0|1,0,1]=4 244 B12R1.43 NC(=O)C(N)Cc1ccccc1 MC438079 [0,2,0,0,0,0|0,0,2]=4 245 B12R1.43 NC(=O)C(N)Cc1ccccc1 MC438080 [0,2,0,0,0,0|0,0,2]=4 246 B12R1.43 NC(=O)C(N)Cc1ccccc1 MC438081 [0,2,0,0,0,0|0,0,2]=4 247 B12R1.43 NC(=O)C(N)Cc1ccccc1 MC438082 [0,2,0,0,0,0|0,0,2]=4 248 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O CS15443 [0,2,0,0,0,0|0,0,2]=4 249 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O CS18748 [0,2,0,0,0,0|0,0,2]=4 250 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O CS21178 [0,2,0,0,0,0|0,0,2]=4 251 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 CS15800 [0,2,0,0,0,0|0,0,2]=4 252 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 CS21095 [0,2,0,0,0,0|0,0,2]=4 253 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 MC438099 [0,2,0,0,0,0|0,0,2]=4 254 B10R1.30 CC1=C(C=O)C=C(Br)C=C1 MC20545 [0,0,1,1,0,0|1,0,1]=4 255 B10R1.30 CC1=C(C=O)C=C(Cl)C=C1 MC41106 [0,0,1,1,0,0|1,0,1]=4 256 B10R1.30 CC1=C(C=O)C=C(F)C=C1 MC20032 [0,0,1,1,0,0|1,0,1]=4 257 B10R1.30 CC1=C(C=O)C=C(I)C=C1 MC425522 [0,0,1,1,0,0|1,0,1]=4 258 B10R1.30 CC1=CC(C=O)=C(Br)C=C1 CS13222 [0,0,1,1,0,0|1,0,1]=4 259 B10R1.30 CC1=CC(C=O)=C(F)C=C1 CS10804 [0,0,1,1,0,0|1,0,1]=4 260 B10R1.30 CC1=CC(C=O)=C(O)C=C1 MC33170 [0,0,1,1,0,0|1,0,1]=4 261 B10R1.30 NC1=C(C=O)C=C(Br)C=C1 CS13430 [0,0,1,1,0,0|2,0,0]=4 262 B10R1.30 NC1=C(C=O)C=C(Cl)C=C1 MC20404 [0,0,1,1,0,0|2,0,0]=4 263 B10R1.30 O=CC1=C(Br)C=CC(Br)=C1 CS10002 [0,0,1,1,0,0|2,0,0]=4 264 B10R1.30 O=CC1=C(Br)C=CC(Cl)=C1 CS18798 [0,0,1,1,0,0|2,0,0]=4 265 B10R1.30 O=CC1=C(Br)C=CC(F)=C1 CS10227 [0,0,1,1,0,0|2,0,0]=4 266 B10R1.30 O=CC1=C(Br)C=CC(O)=C1 CS20078 [0,0,1,1,0,0|2,0,0]=4 267 B10R1.30 O=CC1=C(Cl)C=CC(Br)=C1 MC20546 [0,0,1,1,0,0|2,0,0]=4 268 B10R1.30 O=CC1=C(Cl)C=CC(Cl)=C1 CS19231 [0,0,1,1,0,0|2,0,0]=4 269 B10R1.30 O=CC1=C(Cl)C=CC(F)=C1 MC41103 [0,0,1,1,0,0|2,0,0]=4 270 B10R1.30 O=CC1=C(Cl)C=CC(O)=C1 CS15260 [0,0,1,1,0,0|2,0,0]=4 271 B10R1.30 O=CC1=C(F)C=CC(Br)=C1 CS10234 [0,0,1,1,0,0|2,0,0]=4 272 B10R1.30 O=CC1=C(F)C=CC(Cl)=C1 CS10265 [0,0,1,1,0,0|2,0,0]=4 273 B10R1.30 O=CC1=C(F)C=CC(F)=C1 CS20008 [0,0,1,1,0,0|2,0,0]=4 274 B10R1.30 O=CC1=C(F)C=CC(O)=C1 CS13428 [0,0,1,1,0,0|2,0,0]=4 275 B10R1.30 O=CC1=C(I)C=CC(Br)=C1 MC433412 [0,0,1,1,0,0|2,0,0]=4 276 B10R1.30 O=CC1=C(I)C=CC(F)=C1 MC433439 [0,0,1,1,0,0|2,0,0]=4 277 B10R1.30 O=CC1=C(O)C=CC(Cl)=C1 CS20107 [0,0,1,1,0,0|2,0,0]=4 278 B10R1.30 O=CC1=C(O)C=CC(F)=C1 CS10369 [0,0,1,1,0,0|2,0,0]=4 279 B10R1.30 O=CC1=C(O)C=CC(I)=C1 CS20136 [0,0,1,1,0,0|2,0,0]=4 280 B10R1.30 O=CC1=C(O)C=CC(O)=C1 MC20094 [0,0,1,1,0,0|2,0,0]=4 281 B10R1.30 O=CC1=CC(Br)=CC=C1O CS20084 [0,0,1,1,0,0|2,0,0]=4 282 B10R1.172 CCC1=CC=CC(C=O)=C1 CS11688 [0,0,1,1,0,0|0,0,2]=4 283 B10R1.172 COC1=CC=CC(C=O)=C1 CS19170 [0,0,1,1,0,0|1,0,1]=4 284 B10R1.172 N#CC1=CC(C=O)=CC=C1 CS14027 [0,0,1,1,0,0|1,0,1]=4 285 B10R1.172 O=CC1=CC(CBr)=CC=C1 MC430420 [0,0,1,1,0,0|1,0,1]=4 286 B10R1.172 O=CC1=CC=CC(C=O)=C1 CS20788 [0,0,1,1,0,0|1,0,0]=3 287 B10R1.172 O=CC1=CC=CC(C=O)=N1 MC10353 [0,0,1,1,0,0|2,0,0]=4 288 B10R1.176 C=CC1=CC(F)=C(F)C=C1 CS19052 [0,0,1,1,0,0|2,0,0]=4 289 B10R2.7 C1=CC2=C(C=C1)NC=N2 MC41756 [1,0,0,1,0,0|2,0,0]=4 290 B10R2.7 C1=CC2=C(C=C1)OC=N2 CS10994 [1,0,0,1,0,0|1,0,1]=4 291 B10R2.7 C1=CC2=C(C=C1)SC=C2 CS16362 [1,0,0,1,0,0|0,1,0]=3 292 B10R2.7 C1=CC2=C(C=C1)SC=N2 CS10992 [1,0,0,1,0,0|1,1,0]=4 293 B10R2.7 C1=CC2=C(C=CN2)C=N1 CS20237 [1,0,0,1,0,0|2,0,0]=4 294 B10R2.7 C1=CC2=C(C=CS2)C=N1 MC441330 [1,0,0,1,0,0|1,1,0]=4 295 B10R2.7 C1=CC2=CC=CN2C=C1 MC441215 [1,0,0,1,0,0|1,0,0]=3 296 B10R2.7 C1=CC2=CC=NC=C2N1 CS20238 [1,0,0,1,0,0|2,0,0]=4 297 B10R2.7 C1=CC2=CC=NC=C2O1 MC100123 [1,0,0,1,0,0|1,0,1]=4 298 B10R2.7 C1=CC2=CC=NC=C2S1 CS13198 [1,0,0,1,0,0|1,1,0]=4 299 B10R2.7 C1=CC2=CC=NN2C=C1 MC106678 [1,0,0,1,0,0|2,0,0]=4 300 B10R2.7 C1=CC2=CN=CN2C=C1 CS17747 [1,0,0,1,0,0|2,0,0]=4 301 B10R2.7 C1=CC2=NC=CN2C=C1 CS18927 [1,0,0,1,0,0|2,0,0]=4 302 B10R2.7 C1=CC=C2CC=CC2=C1 MC20914 [1,0,0,1,0,0|0,0,1]=3 303 B10R2.7 C1=CC=C2NC=CC2=C1 CS11496 [1,0,0,1,0,0|1,0,0]=3 304 B10R2.7 C1=CC=C2NN=CC2=C1 CS11488 [1,0,0,1,0,0|2,0,0]=4 305 B10R2.7 C1=CC=C2OC=CC2=C1 CS11169 [1,0,0,1,0,0|0,0,1]=3 306 B10R2.7 C1=CN=C2C=CNC2=C1 CS20236 [1,0,0,1,0,0|2,0,0]=4 307 B10R2.7 C1=CN=C2C=CSC2=C1 CS14375 [1,0,0,1,0,0|1,1,0]=4 308 B10R2.7 C1=CN=C2NC=CC2=C1 CS10447 [1,0,0,1,0,0|2,0,0]=4 309 B10R2.7 C1=CN=C2OC=CC2=C1 MC107657 [1,0,0,1,0,0|1,0,1]=4 310 B10R2.7 C1=CN=C2SC=CC2=C1 CS14590 [1,0,0,1,0,0|1,1,0]=4 311 B12R2.24 BrC1=CC2=CC=CC=C2C=C1 CS19153 [0,1,0,1,0,0|1,0,0]=3 312 B12R2.24 BrC1=CC2=CC=CC=C2C=N1 CS22177 [0,1,0,1,0,0|2,0,0]=4 313 B12R2.24 BrC1=CC2=CC=CC=C2N=C1 CS21394 [0,1,0,1,0,0|1,0,0]=3 314 B12R2.24 BrC1=CC2=CC=CN=C2N=C1 MC442578 [0,1,0,1,0,0|2,0,0]=4 315 B12R2.24 BrC1=CC2=NC=CC=C2N=C1 CS22124 [0,1,0,1,0,0|2,0,0]=4 316 B12R2.24 BrC1=CC=C2C=CC=NC2=C1 CS19085 [0,1,0,1,0,0|1,0,0]=3 317 B12R2.24 BrC1=CC=C2C=CN=CC2=C1 CS19165 [0,1,0,1,0,0|2,0,0]=4 318 B12R2.24 BrC1=CC=C2C=NC=CC2=C1 CS21398 [0,1,0,1,0,0|2,0,0]=4 319 B12R2.24 BrC1=CC=C2C=NC=NC2=C1 MC121072 [0,1,0,1,0,0|2,0,0]=4 320 B12R2.24 BrC1=CC=C2N=CC=CC2=C1 CS10941 [0,1,0,1,0,0|1,0,0]=3 321 B12R2.24 BrC1=CC=C2N=CC=NC2=C1 CS14624 [0,1,0,1,0,0|2,0,0]=4 322 B12R2.24 BrC1=CC=C2N=CN=CC2=C1 CS18543 [0,1,0,1,0,0|2,0,0]=4 323 B12R2.24 BrC1=CC=C2N=NC=CC2=C1 CS14598 [0,1,0,1,0,0|2,0,0]=4 324 B12R2.24 BrC1=NC2=CC=CC=C2C=C1 CS21392 [0,1,0,1,0,0|1,0,0]=3 325 B12R2.24 BrC1=NC2=CC=CC=C2C=N1 MC440083 [0,1,0,1,0,0|2,0,0]=4 326 B12R2.24 BrC1=NC2=CC=CC=C2N=C1 CS19018 [0,1,0,1,0,0|2,0,0]=4 327 B12R2.24 CC1=CC2=CC=CC=C2C=N1 CS19703 [0,1,0,1,0,0|2,0,0]=4 328 B12R2.24 CC1=CC2=CC=CC=C2N=C1 CS11336 [0,1,0,1,0,0|1,0,0]=3 329 B12R2.24 CC1=CC=C2C=CC=NC2=C1 MC20324 [0,1,0,1,0,0|1,0,0]=3 330 B12R2.24 CC1=CC=C2C=NC=CC2=C1 CS10742 [0,1,0,1,0,0|2,0,0]=4 331 B12R2.24 CC1=CC=C2N=CC=CC2=C1 CS10066 [0,1,0,1,0,0|1,0,0]=3 332 B12R2.24 CC1=CC=C2N=CC=NC2=C1 CS15412 [0,1,0,1,0,0|2,0,0]=4 333 B12R2.24 CC1=NC2=CC=CC=C2C=C1 CS11335 [0,1,0,1,0,0|1,0,0]=3 334 B12R2.24 CC1=NC2=CN=CC=C2C=C1 MC111420 [0,1,0,1,0,0|2,0,0]=4 335 B12R2.24 CC1=NC2=NC=CC=C2C=C1 CS18023 [0,1,0,1,0,0|2,0,0]=4 336 B12R2.24 ClC1=CC2=CC=CC=C2C=N1 CS22238 [0,1,0,1,0,0|2,0,0]=4 337 B12R2.24 ClC1=CC2=CC=CC=C2N=C1 CS22245 [0,1,0,1,0,0|1,0,0]=3 338 B12R2.24 ClC1=CC=C2C=CC=NC2=C1 CS10811 [0,1,0,1,0,0|1,0,0]=3 339 B12R2.24 ClC1=CC=C2C=NC=CC2=C1 CS11526 [0,1,0,1,0,0|2,0,0]=4 340 B12R2.24 ClC1=CC=C2C=NC=NC2=C1 MC20750 [0,1,0,1,0,0|2,0,0]=4 341 B12R2.24 ClC1=CC=C2N=CC=CC2=C1 CS21425 [0,1,0,1,0,0|1,0,0]=3 342 B12R2.24 ClC1=NC2=CC=CC=C2C=C1 CS21419 [0,1,0,1,0,0|1,0,0]=3 343 B12R2.24 ClC1=NC2=CC=CC=C2C=N1 CS19965 [0,1,0,1,0,0|2,0,0]=4 344 B12R2.24 ClC1=NC2=CC=CN=C2C=C1 CS16799 [0,1,0,1,0,0|2,0,0]=4 345 B12R2.24 FC1=CC2=CC=CC=C2C=N1 MC429919 [0,1,0,1,0,0|2,0,0]=4 346 B12R2.24 FC1=CC=C2C=NC=CC2=C1 CS14751 [0,1,0,1,0,0|2,0,0]=4 347 B12R2.24 FC1=CC=C2N=CC=CC2=C1 CS12098 [0,1,0,1,0,0|1,0,0]=3 348 B12R2.24 FC1=CC=C2N=CN=CC2=C1 CS17781 [0,1,0,1,0,0|2,0,0]=4 349 B12R2.24 IC1=CC=C2N=CC=CC2=C1 MC30340 [0,1,0,1,0,0|1,0,0]=3 350 B12R2.24 NC1=CC2=CC=CC=C2C=C1 MC41753 [0,1,0,1,0,0|1,0,0]=3 351 B12R2.24 NC1=CC2=CC=CC=C2C=N1 CS21593 [0,1,0,1,0,0|2,0,0]=4 352 B12R2.24 NC1=CC2=CC=CC=C2N=C1 CS11010 [0,1,0,1,0,0|1,0,0]=3 353 B12R2.24 NC1=CC=C2C=CC=NC2=C1 CS12077 [0,1,0,1,0,0|1,0,0]=3 354 B12R2.24 NC1=CC=C2C=CN=CC2=C1 CS18893 [0,1,0,1,0,0|2,0,0]=4 355 B12R2.24 NC1=CC=C2C=NC=CC2=C1 CS18181 [0,1,0,1,0,0|2,0,0]=4 356 B12R2.24 NC1=CC=C2C=NC=NC2=C1 CS16110 [0,1,0,1,0,0|2,0,0]=4 357 B12R2.24 NC1=CC=C2N=CC=CC2=C1 CS11016 [0,1,0,1,0,0|1,0,0]=3 358 B12R2.24 NC1=CC=C2N=CC=NC2=C1 CS10612 [0,1,0,1,0,0|2,0,0]=4 359 B12R2.24 NC1=NC2=CC=CC=C2C=C1 CS11009 [0,1,0,1,0,0|1,0,0]=3 360 B12R2.24 NC1=NC2=CC=CN=C2C=C1 MC115906 [0,1,0,1,0,0|2,0,0]=4 361 B12R2.24 NC1=NC2=NC=CC=C2C=C1 CS20558 [0,1,0,1,0,0|2,0,0]=4 362 B12R2.24 O=C1C=C2C=CC=CC2=NN1 CS16596 [0,1,0,1,0,0|2,0,0]=4 363 B12R2.24 O=C1C=CC2=CN=CC=C2N1 MC442445 [0,1,0,1,0,0|1,0,0]=3 364 B12R2.24 O=C1C=CC2=NC=CN=C2N1 CS12516 [0,1,0,1,0,0|2,0,0]=4 365 B12R2.24 O=C1C=NC2=C(N=CC=C2)N1 CS17925 [0,1,0,1,0,0|2,0,0]=4 366 B12R2.24 O=C1CCC2=C(C=CC=C2)C1 MC440135 [0,1,0,1,0,0|0,0,2]=4 367 B12R2.24 O=C1CCC2=CC=CC=C2N1 CS11038 [0,1,0,1,0,0|0,0,2]=4 368 B12R2.24 O=C1CCc2ccccc2O1 MC41795 [0,1,0,1,0,0|0,0,2]=4 369 B12R2.24 O=C1COC2=C(C=CC=C2)N1 CS21568 [0,1,0,1,0,0|1,0,1]=4 370 B12R2.24 O=C1CSC2=CC=CC=C2C1 MC107174 [0,1,0,1,0,0|1,0,1]=4 371 B12R2.24 OC1=CC2=CC=CC=C2C=C1 CS21708 [0,1,0,1,0,0|0,0,1]=3 372 B12R2.24 OC1=CC2=CC=CC=C2N=C1 CS19154 [0,1,0,1,0,0|1,0,0]=3 373 B12R2.24 OC1=CC=C2C=CC=NC2=C1 CS10982 [0,1,0,1,0,0|1,0,0]=3 374 B12R2.24 OC1=CC=C2C=CN=CC2=C1 MC441084 [0,1,0,1,0,0|1,0,1]=4 375 B12R2.24 OC1=CC=C2C=NC=CC2=C1 CS18471 [0,1,0,1,0,0|1,0,1]=4 376 B12R2.24 OC1=NC2=CC=CC=C2N=C1 CS21605 [0,1,0,1,0,0|1,0,1]=4 377 B12R2.24 OC1=NC2=CC=CN=C2C=C1 MC442462 [0,1,0,1,0,0|1,0,1]=4 378 B12R2.24 [O-][N+]1=CC2=CC=CC=C2C=C1 CS21529 [0,1,0,1,0,0|1,0,1]=4 379 B12R2.132 CC1=CC=C2CCC(=O)C2=C1 MC446759 [0,1,0,1,0,0|0,0,2]=4 380 B12R2.132 CC1=CNC2=CC=C(O)C=C12 CS14814 [0,1,0,1,0,0|2,0,0]=4 381 B12R2.132 CC1=COC2=C1C=C(Br)C=C2 MC441297 [0,1,0,1,0,0|2,0,0]=4 382 B12R2.132 CC1=COC2=C1C=C(F)C=C2 MC427320 [0,1,0,1,0,0|2,0,0]=4 383 B12R2.132 CC1=CSC2=C1C=C(Br)C=C2 MC100206 [0,1,0,1,0,0|2,0,0]=4 384 B12R2.132 CC1=CSC2=C1C=C(Cl)C=C2 MC441868 [0,1,0,1,0,0|2,0,0]=4 385 B12R2.132 CC1=CSC2=C1C=C(F)C=C2 MC441869 [0,1,0,1,0,0|2,0,0]=4 386 B12R2.132 ClC1=CC2=C(C=C1)SC=C2Br MC113833 [0,1,0,1,0,0|2,0,0]=4 387 B12R2.132 ClC1=CC=C2NC=C(Br)C2=C1 MC20448 [0,1,0,1,0,0|2,0,0]=4 388 B12R2.132 NC1=CC=C2CCC(=O)C2=C1 MC446750 [0,1,0,1,0,0|0,0,2]=4 389 B12R2.132 NC1=CC=C2NC=C(Cl)C2=C1 MC432159 [0,1,0,1,0,0|2,0,0]=4 390 B12R2.132 NC1=CNC2=CC=C(Br)C=C12 MC20498 [0,1,0,1,0,0|2,0,0]=4 391 B12R2.132 O=C1CCC2=CC=C(Br)C=C12 CS18733 [0,1,0,1,0,0|0,0,2]=4 392 B12R2.132 O=C1CCC2=CC=C(Cl)C=C12 CS13722 [0,1,0,1,0,0|0,0,2]=4 393 B12R2.132 O=C1CCC2=CC=C(F)C=C12 MC429567 [0,1,0,1,0,0|0,0,2]=4 394 B12R2.132 O=C1CCC2=CC=C(I)C=C12 CS19840 [0,1,0,1,0,0|0,0,2]=4 395 B12R2.132 O=C1CCC2=CC=C(O)C=C12 CS15371 [0,1,0,1,0,0|0,0,2]=4 396 B12R2.132 O=C1COC2=C1C=C(Br)C=C2 CS18239 [0,1,0,1,0,0|1,0,1]=4 397 B12R2.132 O=C1COC2=C1C=C(Cl)C=C2 MC428126 [0,1,0,1,0,0|1,0,1]=4 398 B12R2.132 O=C1COC2=C1C=C(F)C=C2 MC113784 [0,1,0,1,0,0|1,0,1]=4 399 B12R2.132 O=C1COC2=C1C=C(I)C=C2 MC100482 [0,1,0,1,0,0|1,0,1]=4 400 B12R2.132 O=C1NCC2=CC=C(Br)C=C12 CS14261 [0,1,0,1,0,0|1,0,1]=4 401 B12R2.132 O=C1NOC2=C1C=C(Br)C=C2 CS15251 [0,1,0,1,0,0|2,0,0]=4 402 B12R2.132 O=C1NOC2=C1C=C(Cl)C=C2 MC427277 [0,1,0,1,0,0|2,0,0]=4 403 B12R2.132 O=C1NOC2=C1C=C(F)C=C2 CS16834 [0,1,0,1,0,0|2,0,0]=4 404 B12R2.132 O=C1OCC2=CC=C(Br)C=C12 CS12535 [0,1,0,1,0,0|1,0,1]=4 405 B12R2.2 C1=CC=C(C2=CC=CN2)C=C1 MC443684 [0,1,0,1,0,0|1,0,0]=3 406 B12R2.2 C1=CC=C(C2=CC=CO2)C=C1 MC114862 [0,1,0,1,0,0|0,0,1]=3 407 B12R2.2 C1=CC=C(C2=CC=CS2)C=C1 CS21744 [0,1,0,1,0,0|0,1,0]=3 408 B12R2.2 C1=CC=C(C2=CN=CO2)C=C1 CS10486 [0,1,0,1,0,0|0,0,1]=3 409 B12R2.2 C1=CC=C(C2=CN=CS2)C=C1 CS16261 [0,1,0,1,0,0|0,1,0]=3 410 B12R2.2 C1=CC=C(C2=CNN=C2)C=C1 MC441028 [0,1,0,1,0,0|2,0,0]=4 411 B12R2.2 C1=CC=C(C2=NC=CN2)C=C1 MC442291 [0,1,0,1,0,0|1,0,0]=3 412 B12R2.2 C1=CC=C(C2=NC=CO2)C=C1 CS12838 [0,1,0,1,0,0|0,0,1]=3 413 B12R2.2 C1=CC=C(C2=NNC=C2)C=C1 MC31101 [0,1,0,1,0,0|1,0,0]=3 414 B12R2.2 C1=CC=C(N2C=CC=N2)C=C1 CS20795 [0,1,0,1,0,0|1,0,0]=3 415 B12R2.2 C1=CN=C(C2=CNC=N2)C=C1 MC103054 [0,1,0,1,0,0|2,0,0]=4 416 B12R2.2 C1=CN=C(C2=NNC=C2)C=C1 CS20822 [0,1,0,1,0,0|2,0,0]=4 417 B12R2.2 C1=CN=C(N2C=CC=N2)C=C1 MC425202 [0,1,0,1,0,0|2,0,0]=4 418 B12R2.2 C1=CN=CC(C2=NC=CN2)=C1 MC443655 [0,1,0,1,0,0|2,0,0]=4 419 B12R2.2 C1=CN=CC(C2=NC=CS2)=C1 MC443555 [0,1,0,1,0,0|1,1,0]=4 420 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 MC105058 [0,1,0,1,0,0|0,0,2]=4 421 B12R2.1081 BrC1=C2C=CC=NC2=CC=C1 CS21397 [0,1,0,1,0,0|1,0,0]=3 422 B12R2.1081 BrC1=C2C=CN=CC2=CC=C1 CS21395 [0,1,0,1,0,0|2,0,0]=4 423 B12R2.1081 BrC1=C2C=NC=CC2=CC=C1 CS21399 [0,1,0,1,0,0|2,0,0]=4 424 B12R2.1081 BrC1=C2C=NC=NC2=CC=C1 CS12892 [0,1,0,1,0,0|2,0,0]=4 425 B12R2.1081 BrC1=C2N=CC=CC2=CC=C1 CS21400 [0,1,0,1,0,0|1,0,0]=3 426 B12R2.1081 BrC1=C2N=CC=CC2=CN=C1 MC442546 [0,1,0,1,0,0|2,0,0]=4 427 B12R2.1081 BrC1=CC=CC2=CC=CC=C12 CS19505 [0,1,0,1,0,0|1,0,0]=3 428 B12R2.1081 BrC1=CC=NC2=CC=CC=C12 CS22702 [0,1,0,1,0,0|1,0,0]=3 429 B12R2.1081 BrC1=CN=CC2=CC=CC=C12 CS10939 [0,1,0,1,0,0|1,0,0]=3 430 B12R2.1081 BrC1=NC=CC2=CC=NC=C21 MC442541 [0,1,0,1,0,0|2,0,0]=4 431 B12R2.1081 BrC1=NC=CC2=CN=CC=C21 CS16903 [0,1,0,1,0,0|2,0,0]=4 432 B12R2.1081 CC1=C2C=CC=NC2=CC=C1 MC33383 [0,1,0,1,0,0|1,0,0]=3 433 B12R2.1081 CC1=C2N=CC=CC2=CC=C1 CS11338 [0,1,0,1,0,0|1,0,0]=3 434 B12R2.1081 CC1=C2N=CC=NC2=CC=C1 CS19791 [0,1,0,1,0,0|2,0,0]=4 435 B12R2.1081 CC1=CC=NC2=CC=CC=C12 CS11332 [0,1,0,1,0,0|1,0,0]=3 436 B12R2.1081 CC1=CN=CC2=CC=CC=C12 CS13187 [0,1,0,1,0,0|1,0,0]=3 437 B12R2.1081 C[N+]1=CC=NC2=CC=CC=C21 MC113795 [0,1,0,1,0,0|2,0,0]=4 438 B12R2.1081 ClC1=C2C=CC=NC2=CC=C1 CS21421 [0,1,0,1,0,0|1,0,0]=3 439 B12R2.1081 ClC1=C2C=CC=NC2=CC=N1 MC442539 [0,1,0,1,0,0|2,0,0]=4 440 B12R2.1081 ClC1=C2C=CN=CC2=CC=C1 CS21420 [0,1,0,1,0,0|2,0,0]=4 441 B12R2.1081 ClC1=C2C=NC=CC2=CC=C1 CS17692 [0,1,0,1,0,0|2,0,0]=4 442 B12R2.1081 ClC1=C2C=NC=NC2=CC=C1 CS17429 [0,1,0,1,0,0|2,0,0]=4 443 B12R2.1081 ClC1=C2N=CC=CC2=CC=C1 CS21426 [0,1,0,1,0,0|1,0,0]=3 444 B12R2.1081 ClC1=C2N=CC=CC2=CC=N1 MC442823 [0,1,0,1,0,0|2,0,0]=4 445 B12R2.1081 ClC1=CC=NC2=CC=CC=C12 CS19192 [0,1,0,1,0,0|1,0,0]=3 446 B12R2.1081 ClC1=CC=NC2=CN=CC=C12 MC102277 [0,1,0,1,0,0|2,0,0]=4 447 B12R2.1081 ClC1=CC=NC2=NC=CC=C12 CS22716 [0,1,0,1,0,0|2,0,0]=4 448 B12R2.1081 ClC1=CN=CC2=CC=CC=C12 CS12363 [0,1,0,1,0,0|1,0,0]=3 449 B12R2.1081 ClC1=CN=NC2=CC=CC=C12 MC427406 [0,1,0,1,0,0|2,0,0]=4 450 B12R2.1081 ClC1=NC=CC2=CC=CC=C21 CS10943 [0,1,0,1,0,0|1,0,0]=3 451 B12R2.1081 ClC1=NC=CC2=CC=NC=C21 CS14833 [0,1,0,1,0,0|2,0,0]=4 452 B12R2.1081 ClC1=NC=NC2=CC=CC=C21 MC20865 [0,1,0,1,0,0|2,0,0]=4 453 B12R2.1081 FC1=CC=CC2=C1CC=CO2 MC41786 [0,1,0,1,0,0|0,0,2]=4 454 B12R2.1081 FC1=CC=CC2=CC=CC=C12 MC20582 [0,1,0,1,0,0|1,0,0]=3 455 B12R2.1081 FC1=CN=CC2=CN=CC=C12 MC442540 [0,1,0,1,0,0|2,0,0]=4 456 B12R2.1081 IC1=C2C=CN=CC2=CC=C1 MC33302 [0,1,0,1,0,0|2,0,0]=4 457 B12R2.1081 IC1=CN=CC2=CC=CC=C12 CS12479 [0,1,0,1,0,0|1,0,0]=3 458 B12R2.1081 Ic1cccc2ccccc12 MC434036 [0,1,0,1,0,0|1,0,0]=3 459 B12R2.1081 NC1=C2C=CN=CC2=CC=C1 CS11013 [0,1,0,1,0,0|2,0,0]=4 460 B12R2.1081 NC1=C2C=NC=CC2=CC=C1 CS18182 [0,1,0,1,0,0|2,0,0]=4 461 B12R2.1081 NC1=C2N=CC=CC2=CC=C1 CS22125 [0,1,0,1,0,0|1,0,0]=3 462 B12R2.1081 NC1=C2N=CC=CC2=CC=N1 MC442360 [0,1,0,1,0,0|2,0,0]=4 463 B12R2.1081 NC1=CC=CC2=C1C=CC=N2 CS11015 [0,1,0,1,0,0|1,0,0]=3 464 B12R2.1081 NC1=CC=CC2=CC=CC=C12 CS20774 [0,1,0,1,0,0|1,0,0]=3 465 B12R2.1081 NC1=CC=CC2=CC=CC=C12 MC41752 [0,1,0,1,0,0|1,0,0]=3 466 B12R2.1081 NC1=CC=NC2=CC=CC=C12 CS18376 [0,1,0,1,0,0|1,0,0]=3 467 B12R2.1081 NC1=CC=NC2=CC=CN=C12 MC106668 [0,1,0,1,0,0|2,0,0]=4 468 B12R2.1081 NC1=CN=CC2=CC=CC=C12 CS11011 [0,1,0,1,0,0|1,0,0]=3 469 B12R2.1081 NC1=CN=NC2=CC=CC=C12 MC427405 [0,1,0,1,0,0|2,0,0]=4 470 B12R2.1081 NC1=NC=CC2=C1C=CC=N2 MC111443 [0,1,0,1,0,0|2,0,0]=4 471 B12R2.1081 NC1=NC=CC2=CC=CC=C21 CS21592 [0,1,0,1,0,0|1,0,0]=3 472 B12R2.1081 NC1=NC=CC2=CC=NC=C21 MC442536 [0,1,0,1,0,0|2,0,0]=4 473 B12R2.1081 N[N+]1=CC=CC2=CC=CC=C21 MC107680 [0,1,0,1,0,0|1,0,0]=3 474 B12R2.1081 O=C1C=CNC2=CC=CC=C12 CS15452 [0,1,0,1,0,0|0,0,0]=2 475 B12R2.1081 O=C1C=CNC2=CN=CC=C12 MC105662 [0,1,0,1,0,0|1,0,0]=3 476 B12R2.1081 O=C1C=NNC2=CC=CC=C12 CS20704 [0,1,0,1,0,0|1,0,0]=3 477 B12R2.1081 O=C1CCCC2=CC=CC=C12 CS14809 [0,1,0,1,0,0|0,0,2]=4 478 B12R2.1081 O=C1CCNC2=CC=CC=C12 CS15321 [0,1,0,1,0,0|0,0,2]=4 479 B12R2.1081 O=C1CCNC2=CC=CC=C12 MC441207 [0,1,0,1,0,0|0,0,2]=4 480 B12R2.1081 O=C1CCOC2=CC=CC=C12 CS22800 [0,1,0,1,0,0|0,0,2]=4 481 B12R2.1081 O=C1COCC2=C1C=CC=C2 MC41773 [0,1,0,1,0,0|0,0,2]=4 482 B12R2.1081 O=C1N=CNC2=C1C=CC=N2 CS11911 [0,1,0,1,0,0|2,0,0]=4 483 B12R2.1081 O=C1NC=CC2=C1C=CC=N2 MC442538 [0,1,0,1,0,0|1,0,0]=3 484 B12R2.1081 O=C1NC=CC2=C1N=CC=C2 CS15650 [0,1,0,1,0,0|1,0,0]=3 485 B12R2.1081 O=C1NC=CC2=CC=NC=C12 MC121076 [0,1,0,1,0,0|1,0,0]=3 486 B12R2.1081 O=C1NC=NC2=C1C=CN=C2 CS12238 [0,1,0,1,0,0|2,0,0]=4 487 B12R2.1081 O=C1NC=NC2=C1C=NC=C2 MC442549 [0,1,0,1,0,0|2,0,0]=4 488 B12R2.1081 O=C1NCCC2=CC=CC=C12 CS17872 [0,1,0,1,0,0|0,0,2]=4 489 B12R2.1081 O=C1NN=CC2=CC=CC=C12 CS19825 [0,1,0,1,0,0|1,0,0]=3 490 B12R2.1081 O=C1NN=NC2=C1C=CC=C2 MC20712 [0,1,0,1,0,0|2,0,0]=4 491 B12R2.1081 O=C1OCCC2=CC=CC=C12 CS12987 [0,1,0,1,0,0|0,0,2]=4 492 B12R2.1081 OC1=C2N=CC=CC2=CC=C1 MC30343 [0,1,0,1,0,0|1,0,0]=3 493 B12R2.1081 OC1=C2N=CN=CC2=CC=C1 MC115978 [0,1,0,1,0,0|2,0,0]=4 494 B12R2.1081 OC1=CC=CC2=C1C=CC=N2 CS10980 [0,1,0,1,0,0|1,0,0]=3 495 B12R2.1081 OC1=CC=CC2=C1C=CN=C2 CS10979 [0,1,0,1,0,0|1,0,1]=4 496 B12R2.1081 OC1=CC=CC2=CC=CC=C12 CS18546 [0,1,0,1,0,0|0,0,1]=3 497 B12R2.1081 OC1=CC=NC2=CC=CC=C12 CS21522 [0,1,0,1,0,0|0,0,1]=3 498 B12R2.1081 OC1=CN=NC2=CC=CC=C12 CS22888 [0,1,0,1,0,0|1,0,1]=4 499 B12R2.1081 OC1=NC=CC2=CC=CC=C21 CS10978 [0,1,0,1,0,0|0,0,1]=3 500 B12R2.1081 OC1=NC=NC2=CC=CC=C21 CS14542 [0,1,0,1,0,0|1,0,1]=4 501 B12R2.1081 SC1=C2N=CC=CC2=CC=C1 MC427717 [0,1,0,1,0,0|1,0,0]=3 502 B12R2.1081 [O-]c1cccc2cccnc12 MC440649 [0,1,0,1,0,0|1,0,0]=3 503 B12R2.2028 CN1C=C(Br)C2=CC=CC=C21 MC441090 [0,1,0,1,0,0|2,0,0]=4 504 B12R2.2028 N=C1NC(=N)C2=CC=CC=C12 CS20376 [0,1,0,1,0,0|2,0,0]=4 505 B12R2.2028 O=C1CC(Br)C2=CC=CC=C12 CS22129 [0,1,0,1,0,0|0,0,2]=4 506 B12R2.2028 O=C1NC(=O)C2=CC=CC=C12 MC41774 [0,1,0,1,0,0|1,0,0]=3 507 B12R2.2028 O=C1OC(=O)C2=CC=CC=C12 MC41809 [0,1,0,1,0,0|1,0,0]=3 508 B12R2.2028 O=C1OC(=O)C2=NC=CC=C12 CS15659 [0,1,0,1,0,0|2,0,0]=4 509 B12R2.2028 O=C1O[IH2](O)C2=C1C=CC=C2 MC20691 [0,1,0,1,0,0|2,0,0]=4 510 B12R2.2028 O=C1[N-]C(=O)C2=CC=CC=C12 CS11876 [0,1,0,1,0,0|1,0,0]=3 511 B12R2.32 N#CC1=CC2=C(C=CC=C2)O1 CS21513 [0,1,0,1,0,0|1,0,1]=4 512 B12R2.32 N#CC1=CC2=C(C=CC=C2)S1 CS14975 [0,1,0,1,0,0|1,0,1]=4 513 B12R2.32 N#CC1=CC2=CC=CC=C2N1 CS17089 [0,1,0,1,0,0|1,0,1]=4 514 B12R2.32 NCC1=CC2=C(C=CC=C2)O1 MC111185 [0,1,0,1,0,0|1,0,1]=4 515 B12R2.32 O=CC1=CC2=C(C=CC=C2)S1 CS10964 [0,1,0,1,0,0|0,0,0]=2 516 B12R2.32 O=CC1=CC2=CC=CC=C2N1 CS18099 [0,1,0,1,0,0|0,0,0]=2 517 B12R2.32 O=CC1=CC2=CC=NC=C2N1 MC116282 [0,1,0,1,0,0|1,0,0]=3 518 B12R2.32 O=CC1=CC2=CC=NC=C2S1 MC441877 [0,1,0,1,0,0|1,0,0]=3 519 B12R2.32 O=CC1=CC2=NC=CC=C2O1 MC103691 [0,1,0,1,0,0|1,0,0]=3 520 B12R2.32 O=CC1=CN2C=CN=CC2=N1 MC100038 [0,1,0,1,0,0|2,0,0]=4 521 B12R2.32 O=CC1=NC2=C(C=CC=C2)N1 MC33243 [0,1,0,1,0,0|1,0,0]=3 522 B12R2.32 OCC1=CC2=CC=CC=C2N1 CS20715 [0,1,0,1,0,0|0,0,2]=4 523 B12R2.196 CC1=C2CCC(=O)C2=CC=C1 CS14012 [0,1,0,1,0,0|0,0,2]=4 524 B12R2.196 CC1=COC2=C1C=CC=C2Br MC441289 [0,1,0,1,0,0|2,0,0]=4 525 B12R2.196 CC1=CSC2=C1C=CC=C2Br MC441871 [0,1,0,1,0,0|2,0,0]=4 526 B12R2.196 CN1C=CC2=C1C=CC=C2O CS13327 [0,1,0,1,0,0|2,0,0]=4 527 B12R2.196 NC1=C2CCC(=O)C2=CC=C1 MC446724 [0,1,0,1,0,0|0,0,2]=4 528 B12R2.196 NC1=C2CNC(=O)C2=CC=C1 CS22586 [0,1,0,1,0,0|1,0,1]=4 529 B12R2.196 NC1=C2COC(=O)C2=CC=C1 CS14004 [0,1,0,1,0,0|1,0,1]=4 530 B12R2.196 NC1=C2NC=C(Cl)C2=CC=C1 MC111125 [0,1,0,1,0,0|2,0,0]=4 531 B12R2.196 O=C1CCC2=C(Br)C=CC=C12 CS10966 [0,1,0,1,0,0|0,0,2]=4 532 B12R2.196 O=C1CCC2=C(Cl)C=CC=C12 CS18751 [0,1,0,1,0,0|0,0,2]=4 533 B12R2.196 O=C1CCC2=C(F)C=CC=C12 MC442503 [0,1,0,1,0,0|0,0,2]=4 534 B12R2.196 O=C1CCC2=C(O)C=CC=C12 CS19922 [0,1,0,1,0,0|0,0,2]=4 535 B12R2.196 O=C1COC2=C1C=CC=C2F MC113785 [0,1,0,1,0,0|1,0,1]=4 536 B12R2.196 O=C1COC2=C1C=CC=C2I MC114833 [0,1,0,1,0,0|1,0,1]=4 537 B12R2.196 O=C1CSC2=C1C=CC=C2F MC107892 [0,1,0,1,0,0|1,0,1]=4 538 B12R2.196 O=C1NCC2=C(O)C=CC=C12 CS14659 [0,1,0,1,0,0|1,0,1]=4 539 B12R2.196 O=C1OCC2=C(Br)C=CC=C12 CS22636 [0,1,0,1,0,0|1,0,1]=4 540 B12R2.203 CC1=CNC2=CC=CC(Br)=C12 CS12569 [0,1,0,1,0,0|2,0,0]=4 541 B12R2.203 CC1=CSC2=C1C(Br)=CC=C2 MC441278 [0,1,0,1,0,0|2,0,0]=4 542 B12R2.203 CC1=CSC2=C1C(Cl)=CC=C2 MC441870 [0,1,0,1,0,0|2,0,0]=4 543 B12R2.203 O=C1CCC2=CC=CC(Br)=C12 MC106557 [0,1,0,1,0,0|0,0,2]=4 544 B12R2.203 O=C1CCC2=CC=CC(Cl)=C12 MC429388 [0,1,0,1,0,0|0,0,2]=4 545 B12R2.203 O=C1CCC2=CC=CC(F)=C12 CS15500 [0,1,0,1,0,0|0,0,2]=4 546 B12R2.203 O=C1CCC2=CC=CC(I)=C12 MC113777 [0,1,0,1,0,0|0,0,2]=4 547 B12R2.203 O=C1CCC2=CC=CC(O)=C12 CS12591 [0,1,0,1,0,0|0,0,2]=4 548 B12R2.203 O=C1COC2=C1C(F)=CC=C2 MC113791 [0,1,0,1,0,0|1,0,1]=4 549 B12R2.203 O=C1NCC2=CC=CC(Br)=C12 CS14262 [0,1,0,1,0,0|1,0,1]=4 550 B12R2.203 O=C1NCC2=CC=CC(I)=C12 MC100883 [0,1,0,1,0,0|1,0,1]=4 551 B12R2.612 CC1=CC2=C(C=C1)C(=O)NO2 MC115929 [0,1,0,1,0,0|2,0,0]=4 552 B12R2.612 CC1=CC=C2C(=O)CCC2=C1 MC446693 [0,1,0,1,0,0|0,0,2]=4 553 B12R2.612 CC1=COC2=C1C=CC(Br)=C2 MC441296 [0,1,0,1,0,0|2,0,0]=4 554 B12R2.612 CC1=CSC2=C1C=CC(Br)=C2 MC441272 [0,1,0,1,0,0|2,0,0]=4 555 B12R2.612 CC1=CSC2=C1C=CC(Cl)=C2 MC441867 [0,1,0,1,0,0|2,0,0]=4 556 B12R2.612 CN1C=CC2=CC(Br)=CC=C21 CS10246 [0,1,0,1,0,0|2,0,0]=4 557 B12R2.612 CN1C=CC2=CC(O)=CC=C21 MC102986 [0,1,0,1,0,0|2,0,0]=4 558 B12R2.612 FC1=CC=C2C(Br)=CNC2=C1 MC430126 [0,1,0,1,0,0|2,0,0]=4 559 B12R2.612 NC1=CC=C2C(=O)CCC2=C1 MC446737 [0,1,0,1,0,0|0,0,2]=4 560 B12R2.612 NC1=CC=C2C(=O)NCC2=C1 MC100084 [0,1,0,1,0,0|1,0,1]=4 561 B12R2.612 O=C1CCC2=CC(Br)=CC=C12 CS21498 [0,1,0,1,0,0|0,0,2]=4 562 B12R2.612 O=C1CCC2=CC(Cl)=CC=C12 CS22043 [0,1,0,1,0,0|0,0,2]=4 563 B12R2.612 O=C1CCC2=CC(F)=CC=C12 MC10164 [0,1,0,1,0,0|0,0,2]=4 564 B12R2.612 O=C1CCC2=CC(O)=CC=C12 CS11017 [0,1,0,1,0,0|0,0,2]=4 565 B12R2.612 O=C1COC2=C1C=CC(Br)=C2 MC115907 [0,1,0,1,0,0|1,0,1]=4 566 B12R2.612 O=C1COC2=C1C=CC(Cl)=C2 CS15082 [0,1,0,1,0,0|1,0,1]=4 567 B12R2.612 O=C1COC2=C1C=CC(O)=C2 CS20793 [0,1,0,1,0,0|1,0,1]=4 568 B12R2.612 O=C1NCC2=CC(Br)=CC=C12 CS12118 [0,1,0,1,0,0|1,0,1]=4 569 B12R2.612 O=C1NCC2=CC(Cl)=CC=C12 CS10349 [0,1,0,1,0,0|1,0,1]=4 570 B12R2.612 O=C1NCC2=CC(F)=CC=C12 CS15892 [0,1,0,1,0,0|1,0,1]=4 571 B12R2.612 O=C1NCC2=CC(O)=CC=C12 CS15015 [0,1,0,1,0,0|1,0,1]=4 572 B12R2.612 O=C1NNC2=CC(F)=CC=C12 CS10702 [0,1,0,1,0,0|2,0,0]=4 573 B12R2.612 O=C1NOC2=C1C=CC(F)=C2 CS16833 [0,1,0,1,0,0|2,0,0]=4 574 B12R2.612 O=C1OCC2=CC(Br)=CC=C12 CS10666 [0,1,0,1,0,0|1,0,1]=4 575 B12R2.612 O=C1OCC2=CC(F)=CC=C12 MC113738 [0,1,0,1,0,0|1,0,1]=4 576 B12R2.1 BrCC1=CSC2=C1C=CC=C2 CS17544 [0,1,0,1,0,0|1,0,1]=4 577 B12R2.1 N#CC1=CNC2=CC=CC=C12 CS21455 [0,1,0,1,0,0|1,0,1]=4 578 B12R2.1 NCC1=CNC2=CC=CC=C12 CS20093 [0,1,0,1,0,0|1,0,1]=4 579 B12R2.1 O=CC1=C2C=CC=CN2C=N1 CS17748 [0,1,0,1,0,0|1,0,0]=3 580 B12R2.1 O=CC1=CN=C2C=CC=CN12 MC442515 [0,1,0,1,0,0|1,0,0]=3 581 B12R2.1 O=CC1=CN=C2C=NC=CN12 MC441099 [0,1,0,1,0,0|2,0,0]=4 582 B12R2.1 O=CC1=CN=C2N=CC=CN12 MC428317 [0,1,0,1,0,0|2,0,0]=4 583 B12R2.1 O=CC1=CNC2=CC=CC=C12 CS21525 [0,1,0,1,0,0|0,0,0]=2 584 B12R2.1 O=CC1=CNC2=CN=CC=C12 CS15305 [0,1,0,1,0,0|1,0,0]=3 585 B12R2.1 O=CC1=CNC2=NC=CC=C12 CS10502 [0,1,0,1,0,0|1,0,0]=3 586 B12R2.1 O=CC1=CNC2=NC=CN=C12 MC103840 [0,1,0,1,0,0|2,0,0]=4 587 B12R2.1 O=CC1=COC2=NC=CC=C12 MC430546 [0,1,0,1,0,0|1,0,0]=3 588 B12R2.1 O=CC1=CSC2=C1C=CC=C2 CS21482 [0,1,0,1,0,0|0,0,0]=2 589 B12R2.1 O=CC1=NNC2=CC=CC=C21 CS20713 [0,1,0,1,0,0|1,0,0]=3 590 B12R2.1 O=CC1=NNC2=NC=CC=C12 MC103841 [0,1,0,1,0,0|2,0,0]=4 591 B12R2.1 OCC1=CNC2=C1C=CC=C2 MC20402 [0,1,0,1,0,0|0,0,2]=4 592 B12R2.23 O=C1CCC1C2=CC=CC=C2 MC104226 [0,1,0,1,0,0|0,0,2]=4 593 B12R2.18 CC1=C(Br)C2=C(C=CC=C2)S1 CS22136 [0,1,0,1,0,0|2,0,0]=4 594 B12R2.18 CC1=CC2=CC=CC=C2N1C CS10010 [0,1,0,1,0,0|2,0,0]=4 595 B12R2.18 CC1CC2=CC=CC=C2C1=O MC446688 [0,1,0,1,0,0|0,0,2]=4 596 B12R2.18 CN1C(N)=CC2=CC=CC=C21 MC106654 [0,1,0,1,0,0|2,0,0]=4 597 B12R2.18 CN1NC2=CC=CC=C2C1=O MC442274 [0,1,0,1,0,0|2,0,0]=4 598 B12R2.18 O=C1NC2=CC=CC=C2C1=O CS11506 [0,1,0,1,0,0|1,0,0]=3 599 B8R1.8 O=CCC1=CC=CS1 CS17423 [1,0,0,0,1,0|1,0,1]=4