0 B10R1.17 BrCCOC1=CC=CC=C1 MC20150 [0,0,0,0,0,0|2,0,1]=3 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|2,0,1]=3 4 B10R1.17 ClC\C=C\C1=CC=CC=C1 MC41818 [0,0,0,0,0,0|1,0,0]=1 5 B10R1.17 N#CC#CC1=CC=CC=C1 CS16032 [0,0,0,0,0,0|1,0,3]=4 6 B10R1.17 NCCCC1=CC=NC=C1 MC425564 [0,0,0,0,0,0|2,0,2]=4 7 B10R1.17 NCCNC1=NC=CC=C1 CS11746 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.17 NCCOC1=CC=CC=C1 CS20484 [0,0,0,0,0,0|2,0,1]=3 9 B10R1.17 NCCOC1=CC=CN=C1 CS16368 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.17 O=CC#CC1=CC=CC=C1 CS18196 [0,0,0,0,0,0|0,0,4]=4 11 B10R1.17 OCCCC1=CC=NC=C1 CS22019 [0,0,0,0,0,0|1,0,2]=3 12 B10R1.17 OCCOC1=CC=CC=C1 MC41398 [0,0,0,0,0,0|1,0,1]=2 13 B9R1.8 BrCCC1=CC=CC=C1 MC40571 [1,0,0,0,0,0|1,0,1]=3 14 B9R1.8 Br[Zn]Cc1ccccc1 MC121333 [1,0,0,0,0,0|2,0,1]=4 15 B9R1.8 CCCC1=CC=CN=C1 CS22402 [1,0,0,0,0,0|1,0,2]=4 16 B9R1.8 CCNC1=CC=CC=C1 MC40913 [1,0,0,0,0,0|1,0,1]=3 17 B9R1.8 CCOC1=NC=CC=C1 CS18732 [1,0,0,0,0,0|2,0,1]=4 18 B9R1.8 CNCC1=CC=CC=C1 MC10559 [1,0,0,0,0,0|1,0,1]=3 19 B9R1.8 CNCC1=CC=CC=C1 MC20323 [1,0,0,0,0,0|1,0,1]=3 20 B9R1.8 CNCC1=CC=CC=C1 MC21006 [1,0,0,0,0,0|1,0,1]=3 21 B9R1.8 CNCC1=CC=CN=C1 CS18846 [1,0,0,0,0,0|2,0,1]=4 22 B9R1.8 COCC1=NC=CC=C1 CS20909 [1,0,0,0,0,0|2,0,1]=4 23 B9R1.8 ClCCC1=CC=CC=C1 MC40609 [1,0,0,0,0,0|1,0,1]=3 24 B9R1.8 ClCCC1=CC=NC=C1 CS17913 [1,0,0,0,0,0|2,0,1]=4 25 B9R1.8 FCCC1=CC=CC=C1 MC41557 [1,0,0,0,0,0|1,0,1]=3 26 B9R1.8 NCCC1=CC=CC=C1 MC40983 [1,0,0,0,0,0|1,0,1]=3 27 B9R1.8 NCCC1=CC=CN=C1 CS21892 [1,0,0,0,0,0|2,0,1]=4 28 B9R1.8 NCCC1=NC=CC=C1 CS14064 [1,0,0,0,0,0|2,0,1]=4 29 B9R1.8 NNCC1=CC=CC=C1 CS11006 [1,0,0,0,0,0|2,0,1]=4 30 B9R1.8 NNCC1=CC=CC=C1 CS12127 [1,0,0,0,0,0|2,0,1]=4 31 B9R1.8 NOCC1=CC=CC=C1 CS14063 [1,0,0,0,0,0|2,0,1]=4 32 B9R1.8 O=C=NC1=CC=CC=C1 MC41051 [1,0,0,0,0,0|1,0,2]=4 33 B9R1.8 O=CCC1=CC=CN=C1 MC106360 [1,0,0,0,0,0|1,0,2]=4 34 B9R1.8 O=CCC1=CC=NC=C1 MC106357 [1,0,0,0,0,0|1,0,2]=4 35 B9R1.8 O=CNC1=CC=CC=C1 MC40924 [1,0,0,0,0,0|1,0,1]=3 36 B9R1.8 O=COC1=CC=CC=C1 MC40136 [1,0,0,0,0,0|1,0,1]=3 37 B9R1.8 OCCC1=CC=CC=C1 MC40745 [1,0,0,0,0,0|0,0,1]=2 38 B9R1.8 OCCC1=CN=CN=C1 CS12401 [1,0,0,0,0,0|2,0,1]=4 39 B9R1.8 ONCC1=CC=CC=C1 CS11753 [1,0,0,0,0,0|1,0,1]=3 40 B11R1.1 CC1=CC=C(\C=C\C=O)C=C1 CS16393 [0,1,0,0,0,0|0,0,2]=3 41 B11R1.1 CCOCC1=CC=C(O)C=C1 CS16541 [0,1,0,0,0,0|2,0,1]=4 42 B11R1.1 ClC1=CC=C(OCCBr)C=C1 MC20815 [0,1,0,0,0,0|2,0,1]=4 43 B11R1.1 FC1=CC=C(CCCBr)C=C1 MC113691 [0,1,0,0,0,0|1,0,2]=4 44 B11R1.1 FC1=CC=C(OCCBr)C=C1 MC41373 [0,1,0,0,0,0|2,0,1]=4 45 B11R1.1 N#C\C=C\C1=CC=C(F)C=C1 MC107446 [0,1,0,0,0,0|1,0,1]=3 46 B11R1.1 NCCOC1=CC=C(F)C=C1 MC40921 [0,1,0,0,0,0|2,0,1]=4 47 B11R1.1 NCCOC1=CC=C(I)C=C1 MC112558 [0,1,0,0,0,0|2,0,1]=4 48 B11R1.1 O=C\C=C\C1=CC=C(F)C=C1 CS14013 [0,1,0,0,0,0|0,0,2]=3 49 B11R1.16 CCCC(=O)C1=CC=CN=C1 MC443690 [0,1,0,0,0,0|2,0,1]=4 50 B11R1.16 CCOC(=O)C1=CC=NC=C1 MC41618 [0,1,0,0,0,0|3,0,0]=4 51 B11R1.16 CCOC(=O)C1=CN=CC=C1 CS19194 [0,1,0,0,0,0|3,0,0]=4 52 B11R1.16 CCOC(=O)C1=NC=CC=C1 CS14035 [0,1,0,0,0,0|3,0,0]=4 53 B11R1.16 CN(CCN)C1=CC=CC=C1 CS11704 [0,1,0,0,0,0|2,0,1]=4 54 B11R1.16 N#CCC(=O)C1=CC=CC=C1 CS10995 [0,1,0,0,0,0|1,0,2]=4 55 B11R1.16 NC(CCO)C1=CC=CC=C1 CS18735 [0,1,0,0,0,0|0,0,2]=3 56 B11R1.16 NC(CCO)C1=CC=CC=C1 CS21217 [0,1,0,0,0,0|0,0,2]=3 57 B11R1.16 O=C(CCCl)C1=CC=CC=C1 MC41279 [0,1,0,0,0,0|1,0,1]=3 58 B11R1.16 O=C(N=C=S)C1=CC=CC=C1 MC41078 [0,1,0,0,0,0|1,1,1]=4 59 B11R1.16 OC(CCCl)C1=CC=CC=C1 CS10897 [0,1,0,0,0,0|1,0,2]=4 60 B11R1.16 OC(CCCl)C1=CC=CC=C1 CS22197 [0,1,0,0,0,0|1,0,2]=4 61 B11R1.16 OC(CCCl)C1=CC=CC=C1 MC20313 [0,1,0,0,0,0|1,0,2]=4 62 B11R1.17 CCCOC1=C(O)C=CC=C1 MC20673 [0,1,0,0,0,0|2,0,1]=4 63 B11R1.17 N#C\C=C\C1=CC=CN=C1Br MC102524 [0,1,0,0,0,0|2,0,1]=4 64 B11R1.24 ClC1=CC=CC(OCCBr)=C1 MC433477 [0,1,0,0,0,0|2,0,1]=4 65 B11R1.28 BrCCCOC1=CC=CC=C1 CS15031 [0,1,0,0,0,0|1,0,2]=4 66 B11R1.28 BrCCOCC1=CC=CC=C1 CS10998 [0,1,0,0,0,0|1,0,2]=4 67 B11R1.28 C=CCOCC1=CC=CC=C1 MC425090 [0,1,0,0,0,0|2,0,1]=4 68 B11R1.28 CNCCCC1=CC=CC=C1 MC425598 [0,1,0,0,0,0|1,0,2]=4 69 B11R1.28 Cl[Zn]C\C=C\c1ccccc1 MC116079 [0,1,0,0,0,0|1,0,0]=2 70 B11R1.28 N#CCNCC1=CC=CC=C1 MC442440 [0,1,0,0,0,0|2,0,1]=4 71 B11R1.28 NCCOCC1=CC=CC=C1 CS20892 [0,1,0,0,0,0|1,0,2]=4 72 B11R1.28 O=CCOCC1=CC=CC=C1 MC429084 [0,1,0,0,0,0|1,0,2]=4 73 B11R1.28 OCCC#CC1=CC=NC=C1 MC425717 [0,1,0,0,0,0|1,0,2]=4 74 B11R1.28 OCCCCC1=CC=CC=C1 CS11170 [0,1,0,0,0,0|0,0,2]=3 75 B11R1.28 OCCCCC1=CC=NC=C1 CS13477 [0,1,0,0,0,0|1,0,2]=4 76 B11R1.28 OCCOCC1=CC=CC=C1 MC20071 [0,1,0,0,0,0|0,0,2]=3 77 B11R1.40 CCC(=O)CC1=CC=CC=C1 MC41289 [0,1,0,0,0,0|1,0,1]=3 78 B11R1.40 NC(CO)CC1=CC=CC=C1 CS21216 [0,1,0,0,0,0|0,0,2]=3 79 B11R1.40 NC(CO)CC1=CC=CC=C1 MC425862 [0,1,0,0,0,0|0,0,2]=3 80 B11R1.40 O=C(CO)CC1=CC=CC=C1 MC107738 [0,1,0,0,0,0|0,0,1]=2 81 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 CS21725 [0,1,0,0,0,0|0,0,2]=3 82 B11R1.91 O=C(O)C#CC1=CC=CC=C1 CS10957 [0,1,0,0,0,0|0,0,3]=4 83 B11R1.91 O=C(O)CNc1ccccc1 MC439073 [0,1,0,0,0,0|1,0,2]=4 84 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 MC40211 [0,1,0,0,0,0|0,0,1]=2 85 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 MC20186 [0,1,0,0,0,0|1,0,1]=3 86 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 MC20799 [0,1,0,0,0,0|1,0,1]=3 87 B11R1.91 O=[N+]([O-])\C=C\C1=CC=CC=C1 MC443830 [0,1,0,0,0,0|1,0,1]=3 88 B11R1.91 OB(O)\C=C\C1=CC=CC=C1 MC442565 [0,1,0,0,0,0|1,0,0]=2 89 B11R2.1 BrC1=COC2=C1C=CC=C2 CS20626 [0,0,0,1,0,0|2,0,1]=4 90 B11R2.1 CC1=CCC2=CC=CC=C12 MC106180 [0,0,0,1,0,0|1,0,2]=4 91 B11R2.1 CC1=CNC2=CC=CC=C12 CS11030 [0,0,0,1,0,0|2,0,1]=4 92 B11R2.1 CC1=COC2=C1C=CC=C2 MC30270 [0,0,0,1,0,0|2,0,1]=4 93 B11R2.1 CN1C=CC2=CC=CC=C21 CS11026 [0,0,0,1,0,0|2,0,0]=3 94 B11R2.1 CN1C=CC2=CC=CN=C21 CS20755 [0,0,0,1,0,0|3,0,0]=4 95 B11R2.1 ClC1=CNC2=CC=CC=C12 MC427199 [0,0,0,1,0,0|2,0,1]=4 96 B11R2.1 ClC1=COC2=C1C=CC=C2 MC114725 [0,0,0,1,0,0|2,0,1]=4 97 B11R2.1 IC1=CSC2=C1C=CC=C2 CS22329 [0,0,0,1,0,0|2,0,1]=4 98 B11R2.1 NC1=CSC2=C1C=CC=C2 CS13998 [0,0,0,1,0,0|2,0,1]=4 99 B11R2.1 NC1CCC2=CC=CC=C21 CS16005 [0,0,0,1,0,0|1,0,2]=4 100 B11R2.1 NC1CCC2=CC=CC=C21 CS19275 [0,0,0,1,0,0|1,0,2]=4 101 B11R2.1 NC1CCC2=CC=CC=C21 CS19803 [0,0,0,1,0,0|1,0,2]=4 102 B11R2.1 NC1CCC2=CC=CC=C21 CS20307 [0,0,0,1,0,0|1,0,2]=4 103 B11R2.1 NC1CCC2=CC=CC=C21 MC425841 [0,0,0,1,0,0|1,0,2]=4 104 B11R2.1 NN1C=CC2=CC=CC=C21 CS19942 [0,0,0,1,0,0|2,0,0]=3 105 B11R2.1 O=S1C=NC2=C1C=CC=C2 MC31232 [0,0,0,1,0,0|2,0,1]=4 106 B11R2.1 OC1=NOC2=C1C=CC=C2 MC442249 [0,0,0,1,0,0|2,0,1]=4 107 B11R2.1 OC1CCC2=CC=CN=C21 CS10573 [0,0,0,1,0,0|1,0,2]=4 108 B11R2.1 ON1N=NC2=C1C=CC=C2 CS19338 [0,0,0,1,0,0|3,0,0]=4 109 B11R2.1 ON1N=NC2=C1C=CC=C2 CS22993 [0,0,0,1,0,0|3,0,0]=4 110 B11R2.4 NC1CC1C2=CC=CC=C2 MC100890 [0,0,0,1,0,0|1,0,2]=4 111 B11R2.4 NC1CC1C2=CC=CC=C2 MC106461 [0,0,0,1,0,0|1,0,2]=4 112 B11R2.20 C1=CC2=CC=NC=C2C=N1 MC442537 [0,0,0,1,0,0|3,0,0]=4 113 B11R2.20 C1=CC2=CN=CC=C2C=N1 MC111272 [0,0,0,1,0,0|3,0,0]=4 114 B11R2.20 C1=CC2=CN=CC=C2N=C1 MC442547 [0,0,0,1,0,0|2,0,1]=4 115 B11R2.20 C1=CC=C2C=NC=CC2=C1 CS19770 [0,0,0,1,0,0|2,0,0]=3 116 B11R2.20 C1=CC=C2C=NN=CC2=C1 CS10532 [0,0,0,1,0,0|3,0,0]=4 117 B11R2.20 C1=CC=C2CC=CCC2=C1 CS11050 [0,0,0,1,0,0|1,0,2]=4 118 B11R2.20 C1=CC=C2CNCCC2=C1 CS19412 [0,0,0,1,0,0|2,0,1]=4 119 B11R2.20 C1=CC=C2COCCC2=C1 CS19933 [0,0,0,1,0,0|2,0,1]=4 120 B11R2.20 C1=CC=C2N=CC=CC2=C1 CS11929 [0,0,0,1,0,0|1,0,1]=3 121 B11R2.20 C1=CC=C2N=CC=NC2=C1 CS11932 [0,0,0,1,0,0|2,0,1]=4 122 B11R2.20 C1=CC=C2N=CN=CC2=C1 CS11926 [0,0,0,1,0,0|2,0,1]=4 123 B11R2.20 C1=CC=C2N=NC=CC2=C1 CS11145 [0,0,0,1,0,0|2,0,0]=3 124 B11R2.20 C1=CC=C2NCCNC2=C1 CS19000 [0,0,0,1,0,0|2,0,1]=4 125 B11R2.20 C1=CN=C2C=CC=NC2=C1 CS20548 [0,0,0,1,0,0|2,0,1]=4 126 B11R2.238 C1=CC=C(CC2CN2)C=C1 CS19482 [0,0,0,1,0,0|1,0,2]=4 127 B11R2.238 C1=CC=C(SC2CC2)C=C1 MC20576 [0,0,0,1,0,0|2,0,1]=4 128 B9R1.12 O=C\C=C\C1=CC=CO1 CS21800 [0,0,0,0,1,0|1,0,2]=4 129 B9R1.12 O=C\C=C\C1=CC=CO1 CS21801 [0,0,0,0,1,0|1,0,2]=4 130 B8R1.2 BrCC1=CC=NC=C1 CS22459 [2,0,0,0,0,0|2,0,0]=4 131 B8R1.2 BrCC1=CC=NC=C1 MC111773 [2,0,0,0,0,0|2,0,0]=4 132 B8R1.2 C#CC1=CC=CC=C1 CS19127 [2,0,0,0,0,0|0,0,2]=4 133 B8R1.2 CCC1=CC=CC=C1 MC41556 [2,0,0,0,0,0|0,0,1]=3 134 B8R1.2 CCC1=CC=CN=C1 CS22277 [2,0,0,0,0,0|1,0,1]=4 135 B8R1.2 CNC1=CC=CC=C1 CS11792 [2,0,0,0,0,0|1,0,0]=3 136 B8R1.2 CNC1=CC=CN=C1 CS13856 [2,0,0,0,0,0|2,0,0]=4 137 B8R1.2 CNC1=CC=NC=C1 MC41620 [2,0,0,0,0,0|2,0,0]=4 138 B8R1.2 COC1=CC=CC=C1 MC41309 [2,0,0,0,0,0|1,0,0]=3 139 B8R1.2 COC1=CC=CN=C1 CS22348 [2,0,0,0,0,0|2,0,0]=4 140 B8R1.2 COC1=CC=NC=C1 CS19206 [2,0,0,0,0,0|2,0,0]=4 141 B8R1.2 COC1=NC=CC=C1 CS18780 [2,0,0,0,0,0|2,0,0]=4 142 B8R1.2 CSC1=CC=CC=C1 MC439137 [2,0,0,0,0,0|1,0,0]=3 143 B8R1.2 CSC1=NC=CC=C1 MC41628 [2,0,0,0,0,0|2,0,0]=4 144 B8R1.2 ClCC1=CC=CN=C1 CS19291 [2,0,0,0,0,0|2,0,0]=4 145 B8R1.2 ClCC1=NC=CC=C1 CS19289 [2,0,0,0,0,0|2,0,0]=4 146 B8R1.2 ICC1=CC=CC=C1 CS11000 [2,0,0,0,0,0|1,0,0]=3 147 B8R1.2 ICC1=CC=CN=C1 MC430640 [2,0,0,0,0,0|2,0,0]=4 148 B8R1.2 I[Zn]c1ccccc1 MC121332 [2,0,0,0,0,0|2,0,0]=4 149 B8R1.2 N#CC1=CC=CC=C1 MC40623 [2,0,0,0,0,0|1,0,1]=4 150 B8R1.2 N#Cc1ccccc1 CS13696 [2,0,0,0,0,0|1,0,1]=4 151 B8R1.2 NCC1=CC=CC=C1 MC40797 [2,0,0,0,0,0|1,0,0]=3 152 B8R1.2 NCC1=CC=CN=C1 CS14226 [2,0,0,0,0,0|2,0,0]=4 153 B8R1.2 NCC1=CC=NC=C1 CS11906 [2,0,0,0,0,0|2,0,0]=4 154 B8R1.2 NCC1=CC=NC=C1 CS19023 [2,0,0,0,0,0|2,0,0]=4 155 B8R1.2 NNC1=CC=CC=C1 CS15210 [2,0,0,0,0,0|2,0,0]=4 156 B8R1.2 NNC1=CC=CC=C1 MC427075 [2,0,0,0,0,0|2,0,0]=4 157 B8R1.2 O=CC1=CN=CC=C1 CS19090 [2,0,0,0,0,0|1,0,1]=4 158 B8R1.2 O=CC1=NC=CC=C1 CS18610 [2,0,0,0,0,0|1,0,1]=4 159 B8R1.2 O=NC1=CC=CC=C1 MC33163 [2,0,0,0,0,0|1,0,1]=4 160 B8R1.2 OCC1=CC=CC=C1 MC40684 [2,0,0,0,0,0|0,0,0]=2 161 B8R1.2 OCC1=CC=CN=C1 CS22409 [2,0,0,0,0,0|1,0,0]=3 162 B8R1.2 OCC1=CC=CN=N1 CS21870 [2,0,0,0,0,0|2,0,0]=4 163 B8R1.2 OCC1=CC=NC=C1 CS19163 [2,0,0,0,0,0|1,0,0]=3 164 B8R1.2 OCC1=CN=CN=C1 MC444370 [2,0,0,0,0,0|2,0,0]=4 165 B8R1.2 OCC1=CN=NC=C1 MC444363 [2,0,0,0,0,0|2,0,0]=4 166 B8R1.2 OCC1=NC=CC=C1 CS19164 [2,0,0,0,0,0|1,0,0]=3 167 B8R1.2 OCC1=NC=CC=N1 CS19924 [2,0,0,0,0,0|2,0,0]=4 168 B8R1.2 OCC1=NC=CN=C1 CS21749 [2,0,0,0,0,0|2,0,0]=4 169 B8R1.2 OCC1=NC=NC=C1 CS11915 [2,0,0,0,0,0|2,0,0]=4 170 B10R1.1 C=COC1=CC=C(I)C=C1 MC103309 [1,1,0,0,0,0|1,0,1]=4 171 B10R1.1 CC1=CC=C(CCBr)C=C1 CS19977 [1,1,0,0,0,0|1,0,1]=4 172 B10R1.1 CC1=CC=C(CCN)C=C1 CS18979 [1,1,0,0,0,0|1,0,1]=4 173 B10R1.1 CC1=CC=C(CCO)C=C1 MC40744 [1,1,0,0,0,0|0,0,1]=3 174 B10R1.1 CCCC1=CC=C(Br)C=C1 CS10896 [1,1,0,0,0,0|0,0,2]=4 175 B10R1.1 CCOC1=CC=C(Br)C=C1 MC446797 [1,1,0,0,0,0|1,0,1]=4 176 B10R1.1 CCOC1=CC=C(I)C=C1 CS22907 [1,1,0,0,0,0|1,0,1]=4 177 B10R1.1 CCOC1=CC=C(N)C=C1 CS11879 [1,1,0,0,0,0|1,0,1]=4 178 B10R1.1 CNCC1=CC=C(Br)C=C1 CS19272 [1,1,0,0,0,0|1,0,1]=4 179 B10R1.1 CNCC1=CC=C(C)C=C1 CS11795 [1,1,0,0,0,0|1,0,1]=4 180 B10R1.1 ClC1=CC=C(CCBr)C=C1 CS10835 [1,1,0,0,0,0|1,0,1]=4 181 B10R1.1 ClCCC1=CC=C(Cl)C=C1 MC433885 [1,1,0,0,0,0|1,0,1]=4 182 B10R1.1 FC1=CC=C(CCBr)C=C1 CS10866 [1,1,0,0,0,0|1,0,1]=4 183 B10R1.1 NC1=CC=C(CCO)C=C1 CS13450 [1,1,0,0,0,0|0,0,1]=3 184 B10R1.1 NCCC1=CC=C(Br)C=C1 CS19296 [1,1,0,0,0,0|1,0,1]=4 185 B10R1.1 NCCC1=CC=C(Cl)C=C1 MC40975 [1,1,0,0,0,0|1,0,1]=4 186 B10R1.1 NCCC1=CC=C(F)C=C1 CS13766 [1,1,0,0,0,0|1,0,1]=4 187 B10R1.1 NCCC1=CC=C(N)C=C1 MC33045 [1,1,0,0,0,0|1,0,1]=4 188 B10R1.1 NCCC1=CC=C(O)C=C1 CS22315 [1,1,0,0,0,0|1,0,1]=4 189 B10R1.1 O=CCC1=CC=C(Br)C=C1 CS18203 [1,1,0,0,0,0|0,0,2]=4 190 B10R1.1 O=CNC1=CC=C(Cl)C=C1 MC103067 [1,1,0,0,0,0|1,0,1]=4 191 B10R1.1 OCCC1=CC=C(Br)C=C1 CS14491 [1,1,0,0,0,0|0,0,1]=3 192 B10R1.1 OCCC1=CC=C(Cl)C=C1 CS22791 [1,1,0,0,0,0|0,0,1]=3 193 B10R1.1 OCCC1=CC=C(F)C=C1 MC33200 [1,1,0,0,0,0|0,0,1]=3 194 B10R1.1 OCCC1=CC=C(I)C=C1 CS12086 [1,1,0,0,0,0|0,0,1]=3 195 B10R1.1 OCCC1=CC=C(O)C=C1 CS20458 [1,1,0,0,0,0|0,0,1]=3 196 B10R1.1 OCCC1=NC=C(Br)C=C1 MC102395 [1,1,0,0,0,0|1,0,1]=4 197 B10R1.4 CCOC1=C(Br)C=CC=C1 MC20149 [1,1,0,0,0,0|1,0,1]=4 198 B10R1.4 CCOC1=C(N)C=CC=C1 CS11823 [1,1,0,0,0,0|1,0,1]=4 199 B10R1.4 CCOC1=C(O)C=CC=C1 MC41194 [1,1,0,0,0,0|1,0,1]=4 200 B10R1.4 CNCC1=C(F)C=CC=C1 MC40828 [1,1,0,0,0,0|1,0,1]=4 201 B10R1.4 COCC1=C(Br)C=CC=C1 MC41399 [1,1,0,0,0,0|1,0,1]=4 202 B10R1.4 NCCC1=C(Br)C=CC=C1 CS15138 [1,1,0,0,0,0|1,0,1]=4 203 B10R1.4 NCCC1=C(F)C=CC=C1 CS14793 [1,1,0,0,0,0|1,0,1]=4 204 B10R1.4 NCCC1=C(N)C=CC=C1 CS15970 [1,1,0,0,0,0|1,0,1]=4 205 B10R1.4 O=CCC1=C(F)C=CC=C1 MC431003 [1,1,0,0,0,0|0,0,2]=4 206 B10R1.4 OC1=C(CCI)C=CC=C1 MC430321 [1,1,0,0,0,0|1,0,1]=4 207 B10R1.4 OCCC1=C(Br)C=CC=C1 CS21407 [1,1,0,0,0,0|0,0,1]=3 208 B10R1.4 OCCC1=C(Cl)C=CC=C1 MC40737 [1,1,0,0,0,0|0,0,1]=3 209 B10R1.4 OCCC1=C(F)C=CC=C1 MC33149 [1,1,0,0,0,0|0,0,1]=3 210 B10R1.4 O\N=C\C1=C(F)C=CC=C1 MC106948 [1,1,0,0,0,0|1,0,0]=3 211 B10R1.4 O\N=C\C1=C(F)C=CC=C1 MC433456 [1,1,0,0,0,0|1,0,0]=3 212 B10R1.10 C=CCC1=CC=CC(O)=C1 MC425380 [1,1,0,0,0,0|0,0,2]=4 213 B10R1.10 CC1=CC(CCO)=CC=C1 CS22372 [1,1,0,0,0,0|0,0,1]=3 214 B10R1.10 CCCc1cccc(F)c1 MC440476 [1,1,0,0,0,0|0,0,2]=4 215 B10R1.10 FC1=CC=CC(CCBr)=C1 MC40572 [1,1,0,0,0,0|1,0,1]=4 216 B10R1.10 NC1=CC=CC(CCO)=C1 CS22105 [1,1,0,0,0,0|0,0,1]=3 217 B10R1.10 NCCC1=CC(Br)=CC=C1 CS15159 [1,1,0,0,0,0|1,0,1]=4 218 B10R1.10 NCCC1=CC(F)=CC=C1 MC40979 [1,1,0,0,0,0|1,0,1]=4 219 B10R1.10 O=CCC1=CC(O)=CC=C1 MC106361 [1,1,0,0,0,0|0,0,2]=4 220 B10R1.10 OCCC1=CC(Br)=CC=C1 CS22186 [1,1,0,0,0,0|0,0,1]=3 221 B10R1.10 OCCC1=CC(Cl)=CC=C1 CS22241 [1,1,0,0,0,0|0,0,1]=3 222 B10R1.10 OCCC1=CC(F)=CC=C1 MC40743 [1,1,0,0,0,0|0,0,1]=3 223 B10R1.15 C=C(C#N)C1=CC=CC=C1 MC106124 [1,1,0,0,0,0|1,0,1]=4 224 B10R1.15 C=C(CBr)C1=CC=CC=C1 CS20091 [1,1,0,0,0,0|1,0,0]=3 225 B10R1.15 C=CC(N)C1=CC=CC=C1 MC102512 [1,1,0,0,0,0|0,0,2]=4 226 B10R1.15 CC(CN)C1=CC=CC=C1 CS10909 [1,1,0,0,0,0|1,0,1]=4 227 B10R1.15 CC(CN)c1ccccc1 MC110750 [1,1,0,0,0,0|1,0,1]=4 228 B10R1.15 CC(NO)c1ccccc1 MC103844 [1,1,0,0,0,0|1,0,1]=4 229 B10R1.15 CC(NO)c1ccccc1 MC103845 [1,1,0,0,0,0|1,0,1]=4 230 B10R1.15 CCC(C)C1=CC=CC=C1 CS11947 [1,1,0,0,0,0|0,0,2]=4 231 B10R1.15 CCC(C)C1=CC=CC=C1 MC433489 [1,1,0,0,0,0|0,0,2]=4 232 B10R1.15 CCC(N)C1=CC=CC=C1 MC20337 [1,1,0,0,0,0|0,0,2]=4 233 B10R1.15 CN(C=O)C1=CC=CC=C1 CS11793 [1,1,0,0,0,0|1,0,1]=4 234 B10R1.15 COC(=N)C1=NC=CC=C1 MC106728 [1,1,0,0,0,0|2,0,0]=4 235 B10R1.15 COC(=O)C1=CC=CC=C1 MC40065 [1,1,0,0,0,0|1,0,0]=3 236 B10R1.15 COC(=O)C1=CC=NC=C1 CS18945 [1,1,0,0,0,0|2,0,0]=4 237 B10R1.15 COC(=O)C1=CN=CC=C1 CS19425 [1,1,0,0,0,0|2,0,0]=4 238 B10R1.15 COC(=O)C1=NC=CC=C1 CS19684 [1,1,0,0,0,0|2,0,0]=4 239 B10R1.15 C\C(=C\Br)C1=CC=NC=C1 MC111870 [1,1,0,0,0,0|2,0,0]=4 240 B10R1.15 FC(CBr)C1=CC=CC=C1 MC102769 [1,1,0,0,0,0|1,0,1]=4 241 B10R1.15 NC(CO)C1=CC=CC=C1 CS10553 [1,1,0,0,0,0|0,0,1]=3 242 B10R1.15 NC(CO)C1=CC=CC=C1 CS10555 [1,1,0,0,0,0|0,0,1]=3 243 B10R1.15 NC(CO)C1=CC=CC=C1 CS15860 [1,1,0,0,0,0|0,0,1]=3 244 B10R1.15 NC(CO)C1=NC=CC=C1 MC111155 [1,1,0,0,0,0|1,0,1]=4 245 B10R1.15 NCC(=O)C1=CC=CC=C1 CS10874 [1,1,0,0,0,0|1,0,0]=3 246 B10R1.15 NCC(=O)C1=NC=CC=C1 MC33498 [1,1,0,0,0,0|2,0,0]=4 247 B10R1.15 NCC(O)C1=CC=CC=C1 CS20485 [1,1,0,0,0,0|1,0,1]=4 248 B10R1.15 NCC(O)C1=CC=CC=C1 MC444625 [1,1,0,0,0,0|1,0,1]=4 249 B10R1.15 NNC(=O)C1=CC=CC=C1 CS10971 [1,1,0,0,0,0|2,0,0]=4 250 B10R1.15 O=C(CBr)C1=CC=CC=C1 CS19274 [1,1,0,0,0,0|1,0,0]=3 251 B10R1.15 O=C(CBr)C1=CC=CN=C1 MC42216 [1,1,0,0,0,0|2,0,0]=4 252 B10R1.15 O=C(CBr)C1=CC=NC=C1 CS20175 [1,1,0,0,0,0|2,0,0]=4 253 B10R1.15 O=C(CCl)C1=CC=CC=C1 MC20159 [1,1,0,0,0,0|1,0,0]=3 254 B10R1.15 O=C(CI)C1=CC=CC=C1 MC433244 [1,1,0,0,0,0|1,0,0]=3 255 B10R1.15 OC(CBr)C1=CC=CC=C1 CS18840 [1,1,0,0,0,0|1,0,1]=4 256 B10R1.15 OCC(F)C1=CC=CC=C1 MC430923 [1,1,0,0,0,0|0,0,1]=3 257 B10R1.15 O\N=C(/Cl)C1=NC=CC=C1 CS14803 [1,1,0,0,0,0|2,0,0]=4 258 B10R1.18 BrC(Br)=CC1=CC=CC=C1 CS16193 [1,1,0,0,0,0|1,0,0]=3 259 B10R1.18 CC(=O)CC1=CC=CN=C1 MC102696 [1,1,0,0,0,0|1,0,1]=4 260 B10R1.18 CC(=O)CC1=CC=NC=C1 CS20988 [1,1,0,0,0,0|1,0,1]=4 261 B10R1.18 CC(=O)CC1=NC=CC=C1 CS20802 [1,1,0,0,0,0|1,0,1]=4 262 B10R1.18 CC(=O)NC1=CC=CC=C1 MC34102 [1,1,0,0,0,0|1,0,0]=3 263 B10R1.18 CC(Br)CC1=CC=CC=C1 MC41813 [1,1,0,0,0,0|0,0,2]=4 264 B10R1.18 CC(C)NC1=CC=CC=C1 CS11787 [1,1,0,0,0,0|1,0,1]=4 265 B10R1.18 CC(C)OC1=CC=CC=C1 MC41360 [1,1,0,0,0,0|1,0,1]=4 266 B10R1.18 FC(F)OC1=CC=CC=C1 MC41385 [1,1,0,0,0,0|2,0,0]=4 267 B10R1.18 FC(F)SC1=CC=CC=C1 MC428027 [1,1,0,0,0,0|2,0,0]=4 268 B10R1.18 NC(=O)NC1=CC=CC=C1 CS10533 [1,1,0,0,0,0|1,0,1]=4 269 B10R1.18 NC(=O)OC1=CC=CC=C1 MC428148 [1,1,0,0,0,0|1,0,1]=4 270 B10R1.18 O=C(Cl)OC1=CC=CC=C1 CS18823 [1,1,0,0,0,0|1,0,1]=4 271 B10R1.18 O=C(O)CC1=CC=CN=C1 CS20325 [1,1,0,0,0,0|1,0,1]=4 272 B10R1.18 O=C(O)CC1=CC=NC=C1 CS20327 [1,1,0,0,0,0|1,0,1]=4 273 B10R1.18 O=C(O)CC1=CC=NC=C1 MC41632 [1,1,0,0,0,0|1,0,1]=4 274 B10R1.18 O=C(O)CC1=NC=CC=C1 MC41631 [1,1,0,0,0,0|1,0,1]=4 275 B10R1.18 O=C([O-])CC1=CC=CC=C1 MC34448 [1,1,0,0,0,0|0,0,2]=4 276 B10R1.66 O=C(O)\C=C\C1=CC=CO1 MC41690 [0,1,0,0,1,0|1,0,1]=4 277 B10R1.66 O=C(O)\C=C\C1=COC=C1 MC425866 [0,1,0,0,1,0|1,0,1]=4 278 B12R1.1 COCCOC1=CC=C(N)C=C1 CS13382 [0,2,0,0,0,0|1,0,1]=4 279 B12R1.16 CCOC(=O)C1=CC=C(Br)C=C1 CS11362 [0,2,0,0,0,0|2,0,0]=4 280 B12R1.16 CCOC(=O)C1=CC=C(Cl)C=C1 CS11363 [0,2,0,0,0,0|2,0,0]=4 281 B12R1.16 CCOC(=O)C1=CC=C(F)C=C1 CS21694 [0,2,0,0,0,0|2,0,0]=4 282 B12R1.16 CCOC(=O)C1=CC=C(N)C=C1 CS19762 [0,2,0,0,0,0|2,0,0]=4 283 B12R1.16 CCOC(=O)C1=CC=C(O)C=C1 CS18640 [0,2,0,0,0,0|2,0,0]=4 284 B12R1.16 NC(CCO)C1=CC=C(Cl)C=C1 CS14753 [0,2,0,0,0,0|0,0,2]=4 285 B12R1.16 NC(CCO)C1=CC=C(F)C=C1 CS19558 [0,2,0,0,0,0|0,0,2]=4 286 B12R1.16 NC(CCO)C1=CC=C(F)C=C1 MC106616 [0,2,0,0,0,0|0,0,2]=4 287 B12R1.16 O=C(CCCl)C1=CC=C(Br)C=C1 MC41277 [0,2,0,0,0,0|1,0,1]=4 288 B12R1.16 O=C(CCCl)C1=CC=C(Cl)C=C1 MC433259 [0,2,0,0,0,0|1,0,1]=4 289 B12R1.16 O=C(CCCl)C1=CC=C(F)C=C1 CS14887 [0,2,0,0,0,0|1,0,1]=4 290 B12R1.21 CC(=O)\C=C\C1=CC=C(Br)C=C1 MC431712 [0,2,0,0,0,0|0,0,2]=4 291 B12R1.21 CC(=O)\C=C\C1=CC=C(Cl)C=C1 MC41308 [0,2,0,0,0,0|0,0,2]=4 292 B12R1.21 CC(O)\C=C\C1=CC=C(Br)C=C1 MC106116 [0,2,0,0,0,0|0,0,0]=2 293 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 MC40217 [0,2,0,0,0,0|0,0,1]=3 294 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 CS21504 [0,2,0,0,0,0|0,0,1]=3 295 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 MC429571 [0,2,0,0,0,0|0,0,1]=3 296 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 CS15820 [0,2,0,0,0,0|0,0,1]=3 297 B12R1.21 O=[N+]([O-])\C=C\C1=CC=C(F)C=C1 MC41593 [0,2,0,0,0,0|1,0,1]=4 298 B12R1.21 O=[N+]([O-])\C=C\C1=CC=C(O)C=C1 CS22887 [0,2,0,0,0,0|1,0,1]=4 299 B12R1.21 OB(O)\C=C\C1=CC=C(F)C=C1 MC443815 [0,2,0,0,0,0|1,0,0]=3 300 B12R1.49 NC(CO)CC1=CC=C(I)C=C1 MC115448 [0,2,0,0,0,0|0,0,2]=4 301 B12R1.49 NC(CO)Cc1ccc(O)cc1 MC439069 [0,2,0,0,0,0|0,0,2]=4 302 B12R1.69 NC1=CC(N)=C(OCCO)C=C1 CS17227 [0,2,0,0,0,0|1,0,1]=4 303 B12R1.71 N#CC1=CC=C(CCCO)C=C1 CS14888 [0,2,0,0,0,0|0,0,2]=4 304 B12R1.385 CC1=C(O)C=C(NCCO)C=C1 CS21891 [0,2,0,0,0,0|1,0,1]=4 305 B12R1.17 CCOC(=O)C1=CC(Br)=CC=C1 MC40031 [0,2,0,0,0,0|2,0,0]=4 306 B12R1.17 CCOC(=O)C1=CC(I)=CC=C1 CS11354 [0,2,0,0,0,0|2,0,0]=4 307 B12R1.17 CCOC(=O)C1=CC(N)=CC=C1 MC40025 [0,2,0,0,0,0|2,0,0]=4 308 B12R1.17 CCOC(=O)C1=CC(O)=CC=C1 CS11352 [0,2,0,0,0,0|2,0,0]=4 309 B12R1.17 NC(CCO)C1=CC(Cl)=CC=C1 CS19263 [0,2,0,0,0,0|0,0,2]=4 310 B12R1.30 CCCOC(=O)C1=CC=CC=C1 CS11887 [0,2,0,0,0,0|1,0,1]=4 311 B12R1.30 O=C(C#CCO)C1=CC=CC=C1 MC111021 [0,2,0,0,0,0|0,0,1]=3 312 B12R1.30 O=C(NCCO)C1=CN=CC=C1 CS11709 [0,2,0,0,0,0|1,0,1]=4 313 B12R1.30 O=C(OCCCl)C1=CC=CC=C1 MC40015 [0,2,0,0,0,0|1,0,1]=4 314 B12R1.34 CN(C(=O)CN)C1=CC=CC=C1 MC111794 [0,2,0,0,0,0|2,0,0]=4 315 B12R1.34 COC(=O)C(=O)C1=CC=CC=C1 MC20896 [0,2,0,0,0,0|2,0,0]=4 316 B12R1.34 NC(CO)C(O)C1=CC=CC=C1 MC20366 [0,2,0,0,0,0|0,0,2]=4 317 B12R1.308 CCCC(=O)C1=C(N)C=CC=C1 MC430441 [0,2,0,0,0,0|1,0,1]=4 318 B12R1.308 CCOC(=O)C1=C(Br)C=CC=C1 MC20191 [0,2,0,0,0,0|2,0,0]=4 319 B12R1.308 CCOC(=O)C1=C(C)C=CC=C1 MC40044 [0,2,0,0,0,0|2,0,0]=4 320 B12R1.308 CCOC(=O)C1=C(F)C=CC=C1 CS11340 [0,2,0,0,0,0|2,0,0]=4 321 B12R1.308 CCOC(=O)C1=CC=CC=C1O MC34575 [0,2,0,0,0,0|2,0,0]=4 322 B12R1.308 O=C(CCCl)C1=C(Cl)C=CC=C1 MC429389 [0,2,0,0,0,0|1,0,1]=4 323 B12R1.121 COC1=C(\C=C\C=O)C=CC=C1 CS15311 [0,2,0,0,0,0|0,0,2]=4 324 B12R1.125 O=C(O)\C=C\C1=C(Cl)C=CC=C1 CS10967 [0,2,0,0,0,0|0,0,1]=3 325 B12R1.374 FC1=CC(\C=C\CCl)=C(F)C=C1 MC115446 [0,2,0,0,0,0|1,0,0]=3 326 B12R1.374 O=C\C=C\C1=C(O)C=CC(Cl)=C1 MC111789 [0,2,0,0,0,0|0,0,2]=4 327 B12R1.50 CCC(=O)NC1=CC(N)=CC=C1 CS21194 [0,2,0,0,0,0|2,0,0]=4 328 B12R1.50 NC(CO)CC1=CC(F)=CC=C1 MC431472 [0,2,0,0,0,0|0,0,2]=4 329 B12R1.100 CC1=CC(\C=C\C#N)=CC(I)=C1 MC434045 [0,2,0,0,0,0|1,0,1]=4 330 B12R1.226 O=C(O)\C=C\C1=CC(Br)=CC=C1 CS21499 [0,2,0,0,0,0|0,0,1]=3 331 B12R1.226 O=C(O)\C=C\C1=CC(Cl)=CC=C1 CS21503 [0,2,0,0,0,0|0,0,1]=3 332 B12R1.226 O=C(O)\C=C\C1=CC(Cl)=CC=C1 MC40208 [0,2,0,0,0,0|0,0,1]=3 333 B12R1.226 O=C(O)\C=C\C1=CC(F)=CC=C1 CS10976 [0,2,0,0,0,0|0,0,1]=3 334 B12R1.226 O=C(O)\C=C\C1=CC(F)=CC=C1 MC40216 [0,2,0,0,0,0|0,0,1]=3 335 B12R1.226 O=[N+]([O-])\C=C\C1=CC=CC(Cl)=C1 MC41592 [0,2,0,0,0,0|1,0,1]=4 336 B12R1.226 O=[N+]([O-])\C=C\C1=CC=CC(F)=C1 MC443665 [0,2,0,0,0,0|1,0,1]=4 337 B12R1.382 CO\C=C\C1=CC=CC(C#N)=C1 MC103104 [0,2,0,0,0,0|2,0,0]=4 338 B12R1.8 OCCCCCC1=CC=CC=C1 MC443206 [0,2,0,0,0,0|0,0,2]=4 339 B12R1.27 CC(CO)NCC1=CC=CC=C1 CS11754 [0,2,0,0,0,0|0,0,2]=4 340 B12R1.27 CC(CO)OCC1=CC=CC=C1 MC106974 [0,2,0,0,0,0|0,0,2]=4 341 B12R1.27 NCC(=O)OCC1=CC=CC=C1 MC428105 [0,2,0,0,0,0|1,0,1]=4 342 B12R1.27 NCC(=O)OCc1ccccc1 MC437714 [0,2,0,0,0,0|1,0,1]=4 343 B12R1.27 NCC(=O)OCc1ccccc1 MC437715 [0,2,0,0,0,0|1,0,1]=4 344 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 CS19947 [0,2,0,0,0,0|1,0,1]=4 345 B12R1.32 CCNC(=S)NC1=CC=CC=C1 MC427354 [0,2,0,0,0,0|2,0,0]=4 346 B12R1.32 CN(CCO)CC1=CC=CC=C1 CS11755 [0,2,0,0,0,0|0,0,2]=4 347 B12R1.32 N#CCC(=O)NC1=CC=CC=C1 MC40795 [0,2,0,0,0,0|2,0,0]=4 348 B12R1.252 CC(O)COCC1=CC=CC=C1 CS20248 [0,2,0,0,0,0|0,0,2]=4 349 B12R1.252 O=C(O)CCOC1=CC=CC=C1 MC40204 [0,2,0,0,0,0|1,0,1]=4 350 B12R1.252 O=C(O)CNCC1=CC=CC=C1 CS21182 [0,2,0,0,0,0|1,0,1]=4 351 B12R1.252 O=C(O)COCC1=CC=CC=C1 CS14115 [0,2,0,0,0,0|1,0,1]=4 352 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O MC445160 [0,2,0,0,0,0|0,0,2]=4 353 B12R1.891 CC(C)(O)C#CC1=CC=CC=C1 MC443724 [0,2,0,0,0,0|0,0,2]=4 354 B10R1.30 CC1=C(CO)C=C(I)C=C1 MC425423 [0,0,1,1,0,0|1,0,1]=4 355 B10R1.30 NC1=C(CO)C=C(Br)C=C1 CS20119 [0,0,1,1,0,0|2,0,0]=4 356 B10R1.30 NC1=C(CO)C=C(Cl)C=C1 MC40682 [0,0,1,1,0,0|2,0,0]=4 357 B10R1.30 NC1=CC(CO)=C(Cl)C=C1 MC433837 [0,0,1,1,0,0|2,0,0]=4 358 B10R1.30 NC1=CC(CO)=C(F)C=C1 MC40683 [0,0,1,1,0,0|2,0,0]=4 359 B10R1.30 OCC1=C(Br)C=CC(Cl)=C1 MC40685 [0,0,1,1,0,0|2,0,0]=4 360 B10R1.30 OCC1=C(Br)C=CC(F)=C1 CS13914 [0,0,1,1,0,0|2,0,0]=4 361 B10R1.30 OCC1=C(Br)C=CC(I)=C1 MC433848 [0,0,1,1,0,0|2,0,0]=4 362 B10R1.30 OCC1=C(Cl)C=CC(Br)=C1 MC433841 [0,0,1,1,0,0|2,0,0]=4 363 B10R1.30 OCC1=C(Cl)C=CC(F)=C1 CS21464 [0,0,1,1,0,0|2,0,0]=4 364 B10R1.30 OCC1=C(F)C=CC(F)=C1 MC40701 [0,0,1,1,0,0|2,0,0]=4 365 B10R1.30 OCC1=CC(Br)=CC=C1O CS20280 [0,0,1,1,0,0|2,0,0]=4 366 B10R1.172 CCC1=CC=CC(C=O)=C1 CS11688 [0,0,1,1,0,0|2,0,0]=4 367 B10R1.172 CNC1=CC=CC(CO)=C1 MC115827 [0,0,1,1,0,0|1,0,1]=4 368 B10R1.172 COC1=CC=CC(CO)=C1 CS19269 [0,0,1,1,0,0|1,0,1]=4 369 B10R1.172 N#CC1=CC(CO)=CC=C1 CS22259 [0,0,1,1,0,0|1,0,1]=4 370 B10R1.172 O=CC1=CC(CBr)=CC=C1 MC430420 [0,0,1,1,0,0|2,0,0]=4 371 B10R1.172 O=CC1=NC=CC(CO)=C1 MC102699 [0,0,1,1,0,0|2,0,0]=4 372 B10R1.172 OCC1=CC(CBr)=CC=C1 CS10867 [0,0,1,1,0,0|1,0,1]=4 373 B10R2.6 C1=CC=C(C2CO2)C=C1 MC20326 [1,0,0,1,0,0|0,0,1]=3 374 B10R2.6 C1=CC=C(C2CO2)C=C1 MC445226 [1,0,0,1,0,0|0,0,1]=3 375 B10R2.7 C1=CC2=C(C=C1)CSC2 MC114506 [1,0,0,1,0,0|1,0,1]=4 376 B10R2.7 C1=CC2=C(C=C1)NC=N2 MC41756 [1,0,0,1,0,0|2,0,0]=4 377 B10R2.7 C1=CC2=C(C=C1)OC=N2 CS10994 [1,0,0,1,0,0|1,0,0]=3 378 B10R2.7 C1=CC2=C(C=C1)OCC2 CS20929 [1,0,0,1,0,0|0,0,1]=3 379 B10R2.7 C1=CC2=C(C=C1)OCO2 CS20505 [1,0,0,1,0,0|1,0,0]=3 380 B10R2.7 C1=CC2=C(C=C1)SC=C2 CS16362 [1,0,0,1,0,0|0,1,0]=3 381 B10R2.7 C1=CC2=C(C=C1)SC=N2 CS10992 [1,0,0,1,0,0|1,1,0]=4 382 B10R2.7 C1=CC2=C(C=CN2)C=N1 CS20237 [1,0,0,1,0,0|2,0,0]=4 383 B10R2.7 C1=CC2=C(C=CS2)C=N1 MC441330 [1,0,0,1,0,0|1,1,0]=4 384 B10R2.7 C1=CC2=CC=CN2C=C1 MC441215 [1,0,0,1,0,0|1,0,1]=4 385 B10R2.7 C1=CC2=CC=NC=C2N1 CS20238 [1,0,0,1,0,0|2,0,0]=4 386 B10R2.7 C1=CC2=CC=NC=C2O1 MC100123 [1,0,0,1,0,0|1,0,0]=3 387 B10R2.7 C1=CC2=CC=NC=C2S1 CS13198 [1,0,0,1,0,0|1,1,0]=4 388 B10R2.7 C1=CC2=CC=NN2C=C1 MC106678 [1,0,0,1,0,0|2,0,0]=4 389 B10R2.7 C1=CC2=NC=CN2C=C1 CS18927 [1,0,0,1,0,0|2,0,0]=4 390 B10R2.7 C1=CC=C2CC=CC2=C1 MC20914 [1,0,0,1,0,0|0,0,0]=2 391 B10R2.7 C1=CC=C2CNCC2=C1 CS11516 [1,0,0,1,0,0|1,0,1]=4 392 B10R2.7 C1=CC=C2CNCC2=C1 MC442466 [1,0,0,1,0,0|1,0,1]=4 393 B10R2.7 C1=CC=C2NC=CC2=C1 CS11496 [1,0,0,1,0,0|1,0,0]=3 394 B10R2.7 C1=CC=C2NCCC2=C1 CS19084 [1,0,0,1,0,0|1,0,1]=4 395 B10R2.7 C1=CC=C2NN=CC2=C1 CS11488 [1,0,0,1,0,0|2,0,0]=4 396 B10R2.7 C1=CC=C2OC=CC2=C1 CS11169 [1,0,0,1,0,0|0,0,0]=2 397 B10R2.7 C1=CN=C2C=CNC2=C1 CS20236 [1,0,0,1,0,0|2,0,0]=4 398 B10R2.7 C1=CN=C2C=CSC2=C1 CS14375 [1,0,0,1,0,0|1,1,0]=4 399 B10R2.7 C1=CN=C2NC=CC2=C1 CS10447 [1,0,0,1,0,0|2,0,0]=4 400 B10R2.7 C1=CN=C2OC=CC2=C1 MC107657 [1,0,0,1,0,0|1,0,0]=3 401 B10R2.7 C1=CN=C2OCOC2=C1 MC111188 [1,0,0,1,0,0|2,0,0]=4 402 B10R2.7 C1=CN=C2SC=CC2=C1 CS14590 [1,0,0,1,0,0|1,1,0]=4 403 B12R2.24 BrC1=CC2=C(C=C1)NCCO2 CS10787 [0,1,0,1,0,0|1,0,1]=4 404 B12R2.24 BrC1=CC2=C(C=C1)NCCO2 CS15185 [0,1,0,1,0,0|1,0,1]=4 405 B12R2.24 BrC1=CC2=C(C=C1)OCCN2 CS15468 [0,1,0,1,0,0|1,0,1]=4 406 B12R2.24 BrC1=CC2=C(C=C1)OCCO2 CS10776 [0,1,0,1,0,0|1,0,1]=4 407 B12R2.24 BrC1=CC2=CC=CC=C2C=C1 CS19153 [0,1,0,1,0,0|1,0,1]=4 408 B12R2.24 BrC1=CC2=CC=CC=C2C=N1 CS22177 [0,1,0,1,0,0|2,0,0]=4 409 B12R2.24 BrC1=CC2=CC=CC=C2N=C1 CS21394 [0,1,0,1,0,0|1,0,1]=4 410 B12R2.24 BrC1=CC=C2C=CC=NC2=C1 CS19085 [0,1,0,1,0,0|1,0,1]=4 411 B12R2.24 BrC1=CC=C2C=CN=CC2=C1 CS19165 [0,1,0,1,0,0|2,0,0]=4 412 B12R2.24 BrC1=CC=C2C=NC=CC2=C1 CS21398 [0,1,0,1,0,0|2,0,0]=4 413 B12R2.24 BrC1=CC=C2CCCOC2=C1 MC443258 [0,1,0,1,0,0|0,0,2]=4 414 B12R2.24 BrC1=CC=C2N=CC=CC2=C1 CS10941 [0,1,0,1,0,0|1,0,1]=4 415 B12R2.24 BrC1=CC=C2N=NC=CC2=C1 CS14598 [0,1,0,1,0,0|2,0,0]=4 416 B12R2.24 BrC1=CC=C2OCCCC2=C1 CS19916 [0,1,0,1,0,0|0,0,2]=4 417 B12R2.24 BrC1=NC2=CC=CC=C2C=C1 CS21392 [0,1,0,1,0,0|1,0,1]=4 418 B12R2.24 CC1=CC2=CC=CC=C2C=N1 CS19703 [0,1,0,1,0,0|2,0,0]=4 419 B12R2.24 CC1=CC2=CC=CC=C2N=C1 CS11336 [0,1,0,1,0,0|1,0,1]=4 420 B12R2.24 CC1=CC=C2C=CC=NC2=C1 MC20324 [0,1,0,1,0,0|1,0,1]=4 421 B12R2.24 CC1=CC=C2C=NC=CC2=C1 CS10742 [0,1,0,1,0,0|2,0,0]=4 422 B12R2.24 CC1=CC=C2N=CC=CC2=C1 CS10066 [0,1,0,1,0,0|1,0,1]=4 423 B12R2.24 CC1=NC2=CC=CC=C2C=C1 CS11335 [0,1,0,1,0,0|1,0,1]=4 424 B12R2.24 ClC1=CC2=C(C=C1)NCCO2 MC443200 [0,1,0,1,0,0|1,0,1]=4 425 B12R2.24 ClC1=CC2=C(C=C1)OCCN2 MC441073 [0,1,0,1,0,0|1,0,1]=4 426 B12R2.24 ClC1=CC2=CC=CC=C2C=N1 CS22238 [0,1,0,1,0,0|2,0,0]=4 427 B12R2.24 ClC1=CC2=CC=CC=C2N=C1 CS22245 [0,1,0,1,0,0|1,0,1]=4 428 B12R2.24 ClC1=CC=C2C=CC=NC2=C1 CS10811 [0,1,0,1,0,0|1,0,1]=4 429 B12R2.24 ClC1=CC=C2C=NC=CC2=C1 CS11526 [0,1,0,1,0,0|2,0,0]=4 430 B12R2.24 ClC1=CC=C2N=CC=CC2=C1 CS21425 [0,1,0,1,0,0|1,0,1]=4 431 B12R2.24 ClC1=NC2=CC=CC=C2C=C1 CS21419 [0,1,0,1,0,0|1,0,1]=4 432 B12R2.24 FC1=CC2=CC=CC=C2C=N1 MC429919 [0,1,0,1,0,0|2,0,0]=4 433 B12R2.24 FC1=CC=C2C=NC=CC2=C1 CS14751 [0,1,0,1,0,0|2,0,0]=4 434 B12R2.24 FC1=CC=C2N=CC=CC2=C1 CS12098 [0,1,0,1,0,0|1,0,1]=4 435 B12R2.24 IC1=CC=C2N=CC=CC2=C1 MC30340 [0,1,0,1,0,0|1,0,1]=4 436 B12R2.24 IC1=CC=C2OCCCC2=C1 MC425133 [0,1,0,1,0,0|0,0,2]=4 437 B12R2.24 NC1=CC2=C(C=C1)NCCO2 MC442710 [0,1,0,1,0,0|1,0,1]=4 438 B12R2.24 NC1=CC2=CC=CC=C2C=C1 MC41753 [0,1,0,1,0,0|1,0,1]=4 439 B12R2.24 NC1=CC2=CC=CC=C2C=N1 CS21593 [0,1,0,1,0,0|2,0,0]=4 440 B12R2.24 NC1=CC2=CC=CC=C2N=C1 CS11010 [0,1,0,1,0,0|1,0,1]=4 441 B12R2.24 NC1=CC=C2C=CC=NC2=C1 CS12077 [0,1,0,1,0,0|1,0,1]=4 442 B12R2.24 NC1=CC=C2C=CN=CC2=C1 CS18893 [0,1,0,1,0,0|2,0,0]=4 443 B12R2.24 NC1=CC=C2C=NC=CC2=C1 CS18181 [0,1,0,1,0,0|2,0,0]=4 444 B12R2.24 NC1=CC=C2N=CC=CC2=C1 CS11016 [0,1,0,1,0,0|1,0,1]=4 445 B12R2.24 NC1=NC2=CC=CC=C2C=C1 CS11009 [0,1,0,1,0,0|1,0,1]=4 446 B12R2.24 O=C1C=C2C=CC=CC2=NN1 CS16596 [0,1,0,1,0,0|2,0,0]=4 447 B12R2.24 O=C1CCC2=C(C=CC=C2)C1 MC440135 [0,1,0,1,0,0|1,0,1]=4 448 B12R2.24 O=C1CCC2=CC=CC=C2N1 CS11038 [0,1,0,1,0,0|2,0,0]=4 449 B12R2.24 O=C1CCc2ccccc2O1 MC41795 [0,1,0,1,0,0|2,0,0]=4 450 B12R2.24 O=C1COC2=C(C=CC=C2)N1 CS21568 [0,1,0,1,0,0|1,0,0]=3 451 B12R2.24 O=C1COC2=C(C=CN=C2)N1 MC425525 [0,1,0,1,0,0|2,0,0]=4 452 B12R2.24 O=C1COC2=C(C=NC=C2)N1 MC425642 [0,1,0,1,0,0|2,0,0]=4 453 B12R2.24 O=C1CSC2=CC=CC=C2C1 MC107174 [0,1,0,1,0,0|0,1,1]=4 454 B12R2.24 OC1=CC2=C(C=C1)NCCO2 MC442455 [0,1,0,1,0,0|1,0,1]=4 455 B12R2.24 OC1=CC2=C(C=C1)OCCO2 MC429083 [0,1,0,1,0,0|1,0,1]=4 456 B12R2.24 OC1=CC2=CC=CC=C2C=C1 CS21708 [0,1,0,1,0,0|0,0,1]=3 457 B12R2.24 OC1=CC2=CC=CC=C2N=C1 CS19154 [0,1,0,1,0,0|1,0,1]=4 458 B12R2.24 OC1=CC=C2C=CC=NC2=C1 CS10982 [0,1,0,1,0,0|1,0,1]=4 459 B12R2.24 OC1=CC=C2C=CN=CC2=C1 MC441084 [0,1,0,1,0,0|1,0,1]=4 460 B12R2.24 OC1=CC=C2C=NC=CC2=C1 CS18471 [0,1,0,1,0,0|1,0,1]=4 461 B12R2.24 OC1=NC2=CC=CC=C2N=C1 CS21605 [0,1,0,1,0,0|1,0,1]=4 462 B12R2.24 OC1=NC2=CC=CN=C2C=C1 MC442462 [0,1,0,1,0,0|1,0,1]=4 463 B12R2.24 [O-][N+]1=CC2=CC=CC=C2C=C1 CS21529 [0,1,0,1,0,0|1,0,1]=4 464 B12R2.2 C1=CC=C(C2=CC=CN2)C=C1 MC443684 [0,1,0,1,0,0|1,0,1]=4 465 B12R2.2 C1=CC=C(C2=CC=CO2)C=C1 MC114862 [0,1,0,1,0,0|0,0,1]=3 466 B12R2.2 C1=CC=C(C2=CC=CS2)C=C1 CS21744 [0,1,0,1,0,0|0,1,1]=4 467 B12R2.2 C1=CC=C(C2=CN=CO2)C=C1 CS10486 [0,1,0,1,0,0|0,0,1]=3 468 B12R2.2 C1=CC=C(C2=CN=CS2)C=C1 CS16261 [0,1,0,1,0,0|0,1,1]=4 469 B12R2.2 C1=CC=C(C2=CNN=C2)C=C1 MC441028 [0,1,0,1,0,0|2,0,0]=4 470 B12R2.2 C1=CC=C(C2=NC=CN2)C=C1 MC442291 [0,1,0,1,0,0|1,0,1]=4 471 B12R2.2 C1=CC=C(C2=NC=CO2)C=C1 CS12838 [0,1,0,1,0,0|0,0,1]=3 472 B12R2.2 C1=CC=C(C2=NNC=C2)C=C1 MC31101 [0,1,0,1,0,0|1,0,1]=4 473 B12R2.2 C1=CC=C(N2C=CC=N2)C=C1 CS20795 [0,1,0,1,0,0|1,0,1]=4 474 B12R2.1081 BrC1=C2C=CC=NC2=CC=C1 CS21397 [0,1,0,1,0,0|1,0,1]=4 475 B12R2.1081 BrC1=C2C=CN=CC2=CC=C1 CS21395 [0,1,0,1,0,0|2,0,0]=4 476 B12R2.1081 BrC1=C2C=NC=CC2=CC=C1 CS21399 [0,1,0,1,0,0|2,0,0]=4 477 B12R2.1081 BrC1=C2N=CC=CC2=CC=C1 CS21400 [0,1,0,1,0,0|1,0,1]=4 478 B12R2.1081 BrC1=CC=CC2=CC=CC=C12 CS19505 [0,1,0,1,0,0|1,0,1]=4 479 B12R2.1081 BrC1=CC=NC2=CC=CC=C12 CS22702 [0,1,0,1,0,0|1,0,1]=4 480 B12R2.1081 BrC1=CN=CC2=CC=CC=C12 CS10939 [0,1,0,1,0,0|1,0,1]=4 481 B12R2.1081 CC1=C2C=CC=NC2=CC=C1 MC33383 [0,1,0,1,0,0|1,0,1]=4 482 B12R2.1081 CC1=C2N=CC=CC2=CC=C1 CS11338 [0,1,0,1,0,0|1,0,1]=4 483 B12R2.1081 CC1=CC=NC2=CC=CC=C12 CS11332 [0,1,0,1,0,0|1,0,1]=4 484 B12R2.1081 CC1=CN=CC2=CC=CC=C12 CS13187 [0,1,0,1,0,0|1,0,1]=4 485 B12R2.1081 C[N+]1=CC=NC2=CC=CC=C21 MC113795 [0,1,0,1,0,0|2,0,0]=4 486 B12R2.1081 ClC1=C2C=CC=NC2=CC=C1 CS21421 [0,1,0,1,0,0|1,0,1]=4 487 B12R2.1081 ClC1=C2C=CN=CC2=CC=C1 CS21420 [0,1,0,1,0,0|2,0,0]=4 488 B12R2.1081 ClC1=C2C=NC=CC2=CC=C1 CS17692 [0,1,0,1,0,0|2,0,0]=4 489 B12R2.1081 ClC1=C2N=CC=CC2=CC=C1 CS21426 [0,1,0,1,0,0|1,0,1]=4 490 B12R2.1081 ClC1=CC=NC2=CC=CC=C12 CS19192 [0,1,0,1,0,0|1,0,1]=4 491 B12R2.1081 ClC1=CN=CC2=CC=CC=C12 CS12363 [0,1,0,1,0,0|1,0,1]=4 492 B12R2.1081 ClC1=CN=NC2=CC=CC=C12 MC427406 [0,1,0,1,0,0|2,0,0]=4 493 B12R2.1081 ClC1=NC=CC2=CC=CC=C21 CS10943 [0,1,0,1,0,0|1,0,1]=4 494 B12R2.1081 FC1=CC=CC2=C1CC=CO2 MC41786 [0,1,0,1,0,0|0,0,2]=4 495 B12R2.1081 FC1=CC=CC2=C1NCCO2 MC443372 [0,1,0,1,0,0|1,0,1]=4 496 B12R2.1081 FC1=CC=CC2=CC=CC=C12 MC20582 [0,1,0,1,0,0|1,0,1]=4 497 B12R2.1081 IC1=C2C=CN=CC2=CC=C1 MC33302 [0,1,0,1,0,0|2,0,0]=4 498 B12R2.1081 IC1=CN=CC2=CC=CC=C12 CS12479 [0,1,0,1,0,0|1,0,1]=4 499 B12R2.1081 Ic1cccc2ccccc12 MC434036 [0,1,0,1,0,0|1,0,1]=4 500 B12R2.1081 NC1=C2C=CN=CC2=CC=C1 CS11013 [0,1,0,1,0,0|2,0,0]=4 501 B12R2.1081 NC1=C2C=NC=CC2=CC=C1 CS18182 [0,1,0,1,0,0|2,0,0]=4 502 B12R2.1081 NC1=C2N=CC=CC2=CC=C1 CS22125 [0,1,0,1,0,0|1,0,1]=4 503 B12R2.1081 NC1=CC=CC2=C1C=CC=N2 CS11015 [0,1,0,1,0,0|1,0,1]=4 504 B12R2.1081 NC1=CC=CC2=C1NCCO2 MC111436 [0,1,0,1,0,0|1,0,1]=4 505 B12R2.1081 NC1=CC=CC2=C1OCCO2 MC430590 [0,1,0,1,0,0|1,0,1]=4 506 B12R2.1081 NC1=CC=CC2=CC=CC=C12 CS20774 [0,1,0,1,0,0|1,0,1]=4 507 B12R2.1081 NC1=CC=CC2=CC=CC=C12 MC41752 [0,1,0,1,0,0|1,0,1]=4 508 B12R2.1081 NC1=CC=NC2=CC=CC=C12 CS18376 [0,1,0,1,0,0|1,0,1]=4 509 B12R2.1081 NC1=CN=CC2=CC=CC=C12 CS11011 [0,1,0,1,0,0|1,0,1]=4 510 B12R2.1081 NC1=CN=NC2=CC=CC=C12 MC427405 [0,1,0,1,0,0|2,0,0]=4 511 B12R2.1081 NC1=NC=CC2=CC=CC=C21 CS21592 [0,1,0,1,0,0|1,0,1]=4 512 B12R2.1081 NC1CCOC2=CC=CC=C21 CS18355 [0,1,0,1,0,0|0,0,2]=4 513 B12R2.1081 N[N+]1=CC=CC2=CC=CC=C21 MC107680 [0,1,0,1,0,0|1,0,1]=4 514 B12R2.1081 O=C1C=CNC2=CC=CC=C12 CS15452 [0,1,0,1,0,0|0,0,2]=4 515 B12R2.1081 O=C1C=NNC2=CC=CC=C12 CS20704 [0,1,0,1,0,0|2,0,0]=4 516 B12R2.1081 O=C1CCCC2=CC=CC=C12 CS14809 [0,1,0,1,0,0|1,0,1]=4 517 B12R2.1081 O=C1CCNC2=CC=CC=C12 CS15321 [0,1,0,1,0,0|1,0,1]=4 518 B12R2.1081 O=C1CCNC2=CC=CC=C12 MC441207 [0,1,0,1,0,0|1,0,1]=4 519 B12R2.1081 O=C1CCOC2=CC=CC=C12 CS22800 [0,1,0,1,0,0|0,0,1]=3 520 B12R2.1081 O=C1NCCC2=CC=CC=C12 CS17872 [0,1,0,1,0,0|2,0,0]=4 521 B12R2.1081 O=C1OCCC2=CC=CC=C12 CS12987 [0,1,0,1,0,0|2,0,0]=4 522 B12R2.1081 OC1=C2N=CC=CC2=CC=C1 MC30343 [0,1,0,1,0,0|1,0,1]=4 523 B12R2.1081 OC1=CC=CC2=C1C=CC=N2 CS10980 [0,1,0,1,0,0|1,0,1]=4 524 B12R2.1081 OC1=CC=CC2=C1C=CN=C2 CS10979 [0,1,0,1,0,0|1,0,1]=4 525 B12R2.1081 OC1=CC=CC2=C1OCCN2 MC441075 [0,1,0,1,0,0|1,0,1]=4 526 B12R2.1081 OC1=CC=CC2=C1OCCO2 CS12196 [0,1,0,1,0,0|1,0,1]=4 527 B12R2.1081 OC1=CC=CC2=CC=CC=C12 CS18546 [0,1,0,1,0,0|0,0,1]=3 528 B12R2.1081 OC1=CC=NC2=CC=CC=C12 CS21522 [0,1,0,1,0,0|0,0,1]=3 529 B12R2.1081 OC1=CN=NC2=CC=CC=C12 CS22888 [0,1,0,1,0,0|1,0,1]=4 530 B12R2.1081 OC1=NC=CC2=CC=CC=C21 CS10978 [0,1,0,1,0,0|0,0,1]=3 531 B12R2.1081 OC1=NC=NC2=CC=CC=C21 CS14542 [0,1,0,1,0,0|1,0,1]=4 532 B12R2.1081 OC1CNCC2=CC=CC=C21 MC111757 [0,1,0,1,0,0|0,0,2]=4 533 B12R2.1081 SC1=C2N=CC=CC2=CC=C1 MC427717 [0,1,0,1,0,0|1,0,1]=4 534 B12R2.1081 [O-]c1cccc2cccnc12 MC440649 [0,1,0,1,0,0|1,0,1]=4 535 B12R2.2028 CN1C=C(Br)C2=CC=CC=C21 MC441090 [0,1,0,1,0,0|2,0,0]=4 536 B12R2.2028 O=C1CC(Br)C2=CC=CC=C12 CS22129 [0,1,0,1,0,0|1,0,1]=4 537 B12R2.2028 O=C1O[IH2](O)C2=C1C=CC=C2 MC20691 [0,1,0,1,0,0|2,0,0]=4 538 B12R2.32 BrCC1=NC2=C(C=CC=C2)O1 CS12836 [0,1,0,1,0,0|2,0,0]=4 539 B12R2.32 BrCC1=NC2=C(C=CC=C2)S1 CS20692 [0,1,0,1,0,0|2,0,0]=4 540 B12R2.32 CCC1=NC2=C(C=CC=C2)N1 CS18815 [0,1,0,1,0,0|2,0,0]=4 541 B12R2.32 ClCC1=NC2=C(C=CC=C2)N1 CS20901 [0,1,0,1,0,0|2,0,0]=4 542 B12R2.32 ClCC1=NC2=C(C=CC=C2)O1 MC442523 [0,1,0,1,0,0|2,0,0]=4 543 B12R2.32 ClCC1=NC2=C(C=CC=C2)S1 CS20895 [0,1,0,1,0,0|2,0,0]=4 544 B12R2.32 N#CC1=CC2=C(C=CC=C2)O1 CS21513 [0,1,0,1,0,0|1,0,1]=4 545 B12R2.32 N#CC1=CC2=C(C=CC=C2)S1 CS14975 [0,1,0,1,0,0|1,0,1]=4 546 B12R2.32 N#CC1=CC2=CC=CC=C2N1 CS17089 [0,1,0,1,0,0|1,0,1]=4 547 B12R2.32 NCC1=CC2=C(C=CC=C2)O1 MC111185 [0,1,0,1,0,0|1,0,0]=3 548 B12R2.32 NCC1=NC2=C(C=CC=C2)N1 CS14446 [0,1,0,1,0,0|2,0,0]=4 549 B12R2.32 NCC1=NC2=C(C=CC=C2)N1 CS20888 [0,1,0,1,0,0|2,0,0]=4 550 B12R2.32 NCC1=NC2=C(C=CC=C2)N1 MC425570 [0,1,0,1,0,0|2,0,0]=4 551 B12R2.32 O=CC1=CC2=C(C=CC=C2)S1 CS10964 [0,1,0,1,0,0|0,0,2]=4 552 B12R2.32 O=CC1=CC2=CC=CC=C2N1 CS18099 [0,1,0,1,0,0|0,0,2]=4 553 B12R2.32 OCC1=CC2=CC=CC=C2N1 CS20715 [0,1,0,1,0,0|0,0,0]=2 554 B12R2.32 OCC1=NC2=C(C=CC=C2)N1 MC10493 [0,1,0,1,0,0|1,0,0]=3 555 B12R2.32 OCC1CC2=C(C=CC=C2)O1 CS21037 [0,1,0,1,0,0|0,0,2]=4 556 B12R2.32 OCC1CC2=CC=CC=C2N1 MC105284 [0,1,0,1,0,0|0,0,2]=4 557 B12R2.196 CN1C=CC2=C1C=CC=C2O CS13327 [0,1,0,1,0,0|2,0,0]=4 558 B12R2.612 CN1C=CC2=CC(Br)=CC=C21 CS10246 [0,1,0,1,0,0|2,0,0]=4 559 B12R2.612 CN1C=CC2=CC(O)=CC=C21 MC102986 [0,1,0,1,0,0|2,0,0]=4 560 B12R2.1 BrCC1=CSC2=C1C=CC=C2 CS17544 [0,1,0,1,0,0|1,0,0]=3 561 B12R2.1 ClCC1=CN=C2C=CC=CN12 MC100124 [0,1,0,1,0,0|2,0,0]=4 562 B12R2.1 N#CC1=CNC2=CC=CC=C12 CS21455 [0,1,0,1,0,0|1,0,1]=4 563 B12R2.1 NCC1=CN=C2C=CC=CN12 CS18027 [0,1,0,1,0,0|2,0,0]=4 564 B12R2.1 NCC1=CN=C2C=CC=CN12 MC100149 [0,1,0,1,0,0|2,0,0]=4 565 B12R2.1 NCC1=CNC2=C1C=NC=C2 MC111172 [0,1,0,1,0,0|2,0,0]=4 566 B12R2.1 NCC1=CNC2=CC=CC=C12 CS20093 [0,1,0,1,0,0|1,0,0]=3 567 B12R2.1 NCC1=CNC2=CC=CN=C12 MC111171 [0,1,0,1,0,0|2,0,0]=4 568 B12R2.1 NCC1=CNC2=CN=CC=C12 MC111170 [0,1,0,1,0,0|2,0,0]=4 569 B12R2.1 NCC1=CNC2=NC=CC=C12 MC112998 [0,1,0,1,0,0|2,0,0]=4 570 B12R2.1 NCC1=NNC2=CC=CC=C21 CS11089 [0,1,0,1,0,0|2,0,0]=4 571 B12R2.1 O=CC1=CNC2=CC=CC=C12 CS21525 [0,1,0,1,0,0|0,0,2]=4 572 B12R2.1 O=CC1=CSC2=C1C=CC=C2 CS21482 [0,1,0,1,0,0|0,0,2]=4 573 B12R2.1 OCC1=C2C=CC=CN2N=C1 MC113052 [0,1,0,1,0,0|1,0,0]=3 574 B12R2.1 OCC1=CN=C2C=CC=CN12 MC107766 [0,1,0,1,0,0|1,0,0]=3 575 B12R2.1 OCC1=CNC2=C1C=CC=C2 MC20402 [0,1,0,1,0,0|0,0,0]=2 576 B12R2.1 OCC1=NNC2=CC=CC=C21 MC444218 [0,1,0,1,0,0|1,0,0]=3 577 B12R2.1 OCN1C=NC2=C1C=CC=C2 MC33419 [0,1,0,1,0,0|1,0,0]=3 578 B12R2.23 O=C1CCC1C2=CC=CC=C2 MC104226 [0,1,0,1,0,0|1,0,1]=4 579 B12R2.18 CC1=CC2=CC=CC=C2N1C CS10010 [0,1,0,1,0,0|2,0,0]=4 580 B12R2.18 CN1C(N)=CC2=CC=CC=C21 MC106654 [0,1,0,1,0,0|2,0,0]=4 581 B12R2.18 NC1CC2=CC=CC=C2C1O MC446701 [0,1,0,1,0,0|0,0,2]=4 582 B8R1.8 OCCC1=CC=CS1 CS14939 [1,0,0,0,1,0|1,0,1]=4 583 B8R1.8 OCCC1=CSC=C1 CS20858 [1,0,0,0,1,0|1,0,1]=4