0 B10R1.17 BrCCOC1=CC=CC=C1 MC20150 [0,0,0,0,0,0|1,0,0]=1 1 B10R1.17 Br[Zn]CCc1ccccc1 MC121341 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.17 C#CCOC1C=CC=CO1 MC428033 [0,0,0,0,0,0|2,0,2]=4 3 B10R1.17 CNCCC1=CC=CC=C1 MC446670 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.17 ClCCOC1=CC=CC=C1 MC33174 [0,0,0,0,0,0|1,0,0]=1 5 B10R1.17 ClC\C=C\C1=CC=CC=C1 MC41818 [0,0,0,0,0,0|2,0,1]=3 6 B10R1.17 N#CC#CC1=CC=CC=C1 CS16032 [0,0,0,0,0,0|2,0,2]=4 7 B10R1.17 NCCCC1=CC=NC=C1 MC425564 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.17 NCCNC1=NC=CC=C1 CS11746 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.17 NCCOC1=CC=CC=C1 CS20484 [0,0,0,0,0,0|1,0,0]=1 10 B10R1.17 NCCOC1=CC=CN=C1 CS16368 [0,0,0,0,0,0|2,0,0]=2 11 B10R1.17 NOCCC1=CC=NC=C1 MC427573 [0,0,0,0,0,0|4,0,0]=4 12 B10R1.17 O=CC#CC1=CC=CC=C1 CS18196 [0,0,0,0,0,0|1,0,3]=4 13 B10R1.17 OCCCC1=CC=NC=C1 CS22019 [0,0,0,0,0,0|2,0,0]=2 14 B10R1.17 OCCOC1=CC=CC=C1 MC41398 [0,0,0,0,0,0|0,0,0]=0 15 B9R1.8 BrCCC1=CC=CC=C1 MC40571 [1,0,0,0,0,0|1,0,0]=2 16 B9R1.8 Br[Zn]Cc1ccccc1 MC121333 [1,0,0,0,0,0|2,0,0]=3 17 B9R1.8 CCCC1=CC=CN=C1 CS22402 [1,0,0,0,0,0|2,0,0]=3 18 B9R1.8 CCNC1=CC=CC=C1 MC40913 [1,0,0,0,0,0|1,0,0]=2 19 B9R1.8 CCOC1=NC=CC=C1 CS18732 [1,0,0,0,0,0|1,0,0]=2 20 B9R1.8 CCOC1=NC=CN=C1 CS21524 [1,0,0,0,0,0|2,0,0]=3 21 B9R1.8 CNCC1=CC=CC=C1 MC10559 [1,0,0,0,0,0|2,0,0]=3 22 B9R1.8 CNCC1=CC=CC=C1 MC20323 [1,0,0,0,0,0|2,0,0]=3 23 B9R1.8 CNCC1=CC=CC=C1 MC21006 [1,0,0,0,0,0|2,0,0]=3 24 B9R1.8 CNCC1=CC=CN=C1 CS18846 [1,0,0,0,0,0|3,0,0]=4 25 B9R1.8 COCC1=NC=CC=C1 CS20909 [1,0,0,0,0,0|3,0,0]=4 26 B9R1.8 ClCCC1=CC=CC=C1 MC40609 [1,0,0,0,0,0|1,0,0]=2 27 B9R1.8 ClCCC1=CC=NC=C1 CS17913 [1,0,0,0,0,0|2,0,0]=3 28 B9R1.8 FCCC1=CC=CC=C1 MC41557 [1,0,0,0,0,0|1,0,0]=2 29 B9R1.8 N#CCC1=CC=CN=C1 CS18407 [1,0,0,0,0,0|2,0,1]=4 30 B9R1.8 N#CCC1=CC=NC=C1 CS20239 [1,0,0,0,0,0|2,0,1]=4 31 B9R1.8 N#CCC1=NC=CC=C1 CS18926 [1,0,0,0,0,0|2,0,1]=4 32 B9R1.8 NCCC1=CC=CC=C1 MC40983 [1,0,0,0,0,0|1,0,0]=2 33 B9R1.8 NCCC1=CC=CN=C1 CS21892 [1,0,0,0,0,0|2,0,0]=3 34 B9R1.8 NCCC1=NC=CC=C1 CS14064 [1,0,0,0,0,0|2,0,0]=3 35 B9R1.8 NCCC1=NC=NC=C1 MC104796 [1,0,0,0,0,0|3,0,0]=4 36 B9R1.8 NNCC1=CC=CC=C1 CS11006 [1,0,0,0,0,0|2,0,0]=3 37 B9R1.8 NNCC1=CC=CC=C1 CS12127 [1,0,0,0,0,0|2,0,0]=3 38 B9R1.8 NNCC1=CC=CN=C1 MC111189 [1,0,0,0,0,0|3,0,0]=4 39 B9R1.8 NNCC1=CC=CN=C1 MC111240 [1,0,0,0,0,0|3,0,0]=4 40 B9R1.8 NNCC1=CC=NC=C1 MC111241 [1,0,0,0,0,0|3,0,0]=4 41 B9R1.8 NNCC1=NC=CC=C1 MC111239 [1,0,0,0,0,0|3,0,0]=4 42 B9R1.8 NOCC1=CC=CC=C1 CS14063 [1,0,0,0,0,0|2,0,0]=3 43 B9R1.8 O=C=NC1=CC=CC=C1 MC41051 [1,0,0,0,0,0|1,0,2]=4 44 B9R1.8 O=CCC1=CC=CN=C1 MC106360 [1,0,0,0,0,0|1,0,2]=4 45 B9R1.8 O=CCC1=CC=NC=C1 MC106357 [1,0,0,0,0,0|1,0,2]=4 46 B9R1.8 O=CNC1=CC=CC=C1 MC40924 [1,0,0,0,0,0|1,0,2]=4 47 B9R1.8 O=COC1=CC=CC=C1 MC40136 [1,0,0,0,0,0|0,0,2]=3 48 B9R1.8 OCCC1=CC=CC=C1 MC40745 [1,0,0,0,0,0|0,0,0]=1 49 B9R1.8 OCCC1=CN=CN=C1 CS12401 [1,0,0,0,0,0|2,0,0]=3 50 B9R1.8 ONCC1=CC=CC=C1 CS11753 [1,0,0,0,0,0|1,0,0]=2 51 B11R1.1 CCCOC1=CC=C(N)N=N1 CS10765 [0,1,0,0,0,0|3,0,0]=4 52 B11R1.1 CCOCC1=CC=C(O)C=C1 CS16541 [0,1,0,0,0,0|3,0,0]=4 53 B11R1.1 CNCCC1=CC=C(N)C=C1 MC40974 [0,1,0,0,0,0|3,0,0]=4 54 B11R1.1 CNCCC1=CC=C(O)C=C1 MC426074 [0,1,0,0,0,0|3,0,0]=4 55 B11R1.1 COCCC1=CC=C(O)C=C1 MC445496 [0,1,0,0,0,0|3,0,0]=4 56 B11R1.1 COCOC1=CN=C(Cl)C=C1 MC425484 [0,1,0,0,0,0|3,0,0]=4 57 B11R1.1 ClC1=CC=C(OCCBr)C=C1 MC20815 [0,1,0,0,0,0|1,0,0]=2 58 B11R1.1 FC1=CC=C(CCCBr)C=C1 MC113691 [0,1,0,0,0,0|2,0,0]=3 59 B11R1.1 FC1=CC=C(OCCBr)C=C1 MC41373 [0,1,0,0,0,0|1,0,0]=2 60 B11R1.1 N#CCOC1=CC=C(Cl)C=C1 MC33118 [0,1,0,0,0,0|1,0,1]=3 61 B11R1.1 N#CCOC1=NC=C(Cl)C=C1 MC430547 [0,1,0,0,0,0|2,0,1]=4 62 B11R1.1 NCCOC1=CC=C(F)C=C1 MC40921 [0,1,0,0,0,0|1,0,0]=2 63 B11R1.1 NCCOC1=CC=C(I)C=C1 MC112558 [0,1,0,0,0,0|1,0,0]=2 64 B11R1.16 CCCC(=O)C1=CC=CN=C1 MC443690 [0,1,0,0,0,0|3,0,0]=4 65 B11R1.16 CN(CCN)C1=CC=CC=C1 CS11704 [0,1,0,0,0,0|2,0,0]=3 66 B11R1.16 CNCC(C)C1=CC=CC=C1 MC446681 [0,1,0,0,0,0|3,0,0]=4 67 B11R1.16 CNCC(O)C1=CC=CC=C1 MC446674 [0,1,0,0,0,0|3,0,0]=4 68 B11R1.16 N#CCC(=O)C1=CC=CC=C1 CS10995 [0,1,0,0,0,0|2,0,1]=4 69 B11R1.16 NC(CCO)C1=CC=CC=C1 CS18735 [0,1,0,0,0,0|1,0,0]=2 70 B11R1.16 NC(CCO)C1=CC=CC=C1 CS21217 [0,1,0,0,0,0|1,0,0]=2 71 B11R1.16 O=C(CCCl)C1=CC=CC=C1 MC41279 [0,1,0,0,0,0|2,0,0]=3 72 B11R1.16 OC(CCCl)C1=CC=CC=C1 CS10897 [0,1,0,0,0,0|2,0,0]=3 73 B11R1.16 OC(CCCl)C1=CC=CC=C1 CS22197 [0,1,0,0,0,0|2,0,0]=3 74 B11R1.16 OC(CCCl)C1=CC=CC=C1 MC20313 [0,1,0,0,0,0|2,0,0]=3 75 B11R1.17 CC1=C(OCC#N)C=CC=C1 CS14720 [0,1,0,0,0,0|1,0,1]=3 76 B11R1.17 CCCOC1=C(O)C=CC=C1 MC20673 [0,1,0,0,0,0|1,0,0]=2 77 B11R1.17 O=CCCC1=C(Cl)C=CC=C1 MC106741 [0,1,0,0,0,0|1,0,2]=4 78 B11R1.24 CCCOC1=NC=CC(Br)=C1 MC430459 [0,1,0,0,0,0|2,0,0]=3 79 B11R1.24 ClC1=CC=CC(OCCBr)=C1 MC433477 [0,1,0,0,0,0|1,0,0]=2 80 B11R1.28 BrCCCOC1=CC=CC=C1 CS15031 [0,1,0,0,0,0|1,0,0]=2 81 B11R1.28 BrCCOCC1=CC=CC=C1 CS10998 [0,1,0,0,0,0|1,0,0]=2 82 B11R1.28 C=CCOCC1=CC=CC=C1 MC425090 [0,1,0,0,0,0|1,0,1]=3 83 B11R1.28 CNCCCC1=CC=CC=C1 MC425598 [0,1,0,0,0,0|2,0,0]=3 84 B11R1.28 CNCCCC1=NC=CC=C1 MC430496 [0,1,0,0,0,0|3,0,0]=4 85 B11R1.28 Cl[Zn]C\C=C\c1ccccc1 MC116079 [0,1,0,0,0,0|2,0,1]=4 86 B11R1.28 N#CCNCC1=CC=CC=C1 MC442440 [0,1,0,0,0,0|2,0,1]=4 87 B11R1.28 NCCOCC1=CC=CC=C1 CS20892 [0,1,0,0,0,0|1,0,0]=2 88 B11R1.28 O=CCOCC1=CC=CC=C1 MC429084 [0,1,0,0,0,0|0,0,2]=3 89 B11R1.28 OCCC#CC1=CC=NC=C1 MC425717 [0,1,0,0,0,0|2,0,0]=3 90 B11R1.28 OCCCCC1=CC=CC=C1 CS11170 [0,1,0,0,0,0|1,0,0]=2 91 B11R1.28 OCCCCC1=CC=NC=C1 CS13477 [0,1,0,0,0,0|2,0,0]=3 92 B11R1.28 OCCOCC1=CC=CC=C1 MC20071 [0,1,0,0,0,0|0,0,0]=1 93 B11R1.40 C#CC(O)CC1=CC=CC=C1 MC425691 [0,1,0,0,0,0|2,0,1]=4 94 B11R1.40 CC(C#N)NC1=CC=CC=C1 MC428132 [0,1,0,0,0,0|2,0,1]=4 95 B11R1.40 CCC(=O)CC1=CC=CC=C1 MC41289 [0,1,0,0,0,0|2,0,1]=4 96 B11R1.40 NC(CO)CC1=CC=CC=C1 CS21216 [0,1,0,0,0,0|1,0,0]=2 97 B11R1.40 NC(CO)CC1=CC=CC=C1 MC425862 [0,1,0,0,0,0|1,0,0]=2 98 B11R1.40 O=C(CO)CC1=CC=CC=C1 MC107738 [0,1,0,0,0,0|1,0,1]=3 99 B11R1.91 CC(=O)COC1=CC=CC=C1 MC433248 [0,1,0,0,0,0|0,0,2]=3 100 B11R1.91 CN(C)CCC1=CC=CC=C1 MC446671 [0,1,0,0,0,0|3,0,0]=4 101 B11R1.91 O=C(O)C#CC1=CC=CC=C1 CS10957 [0,1,0,0,0,0|1,0,2]=4 102 B11R1.91 O=C(O)CNC1=CC=NC=C1 MC425129 [0,1,0,0,0,0|2,0,1]=4 103 B11R1.91 O=C(O)CNC1=CC=NC=C1 MC425915 [0,1,0,0,0,0|2,0,1]=4 104 B11R1.91 O=C(O)CNc1ccccc1 MC439073 [0,1,0,0,0,0|1,0,1]=3 105 B11R1.91 O=C(O)COC1=CC=NC=C1 MC443726 [0,1,0,0,0,0|1,0,1]=3 106 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 MC40211 [0,1,0,0,0,0|1,0,2]=4 107 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 CS20444 [0,1,0,0,0,0|2,0,1]=4 108 B11R1.91 OB(O)\C=C\C1=CC=CC=C1 MC442565 [0,1,0,0,0,0|2,0,1]=4 109 B11R2.1 BrC1=COC2=C1C=CC=C2 CS20626 [0,0,0,1,0,0|1,0,2]=4 110 B11R2.1 CC1=COC2=C1C=CC=C2 MC30270 [0,0,0,1,0,0|1,0,2]=4 111 B11R2.1 CC1=NOC2=C1C=CC=C2 CS22352 [0,0,0,1,0,0|2,0,1]=4 112 B11R2.1 ClC1=COC2=C1C=CC=C2 MC114725 [0,0,0,1,0,0|1,0,2]=4 113 B11R2.1 ClC1=NOC2=C1C=CC=C2 CS19970 [0,0,0,1,0,0|2,0,1]=4 114 B11R2.1 NC1=NOC2=C1C=CC=C2 CS20240 [0,0,0,1,0,0|2,0,1]=4 115 B11R2.1 NC1CCC2=CC=CC=C21 CS16005 [0,0,0,1,0,0|2,0,0]=3 116 B11R2.1 NC1CCC2=CC=CC=C21 CS19275 [0,0,0,1,0,0|2,0,0]=3 117 B11R2.1 NC1CCC2=CC=CC=C21 CS19803 [0,0,0,1,0,0|2,0,0]=3 118 B11R2.1 NC1CCC2=CC=CC=C21 CS20307 [0,0,0,1,0,0|2,0,0]=3 119 B11R2.1 NC1CCC2=CC=CC=C21 MC425841 [0,0,0,1,0,0|2,0,0]=3 120 B11R2.1 NC1COC2=NC=CC=C21 MC443539 [0,0,0,1,0,0|2,0,0]=3 121 B11R2.1 O=C1CCC2=CC=CC=C12 CS18668 [0,0,0,1,0,0|1,0,2]=4 122 B11R2.1 O=C1COC2=C1C=CC=C2 CS20787 [0,0,0,1,0,0|0,0,2]=3 123 B11R2.1 O=C1COC2=CC=CN=C12 MC103039 [0,0,0,1,0,0|1,0,2]=4 124 B11R2.1 O=C1COC2=NC=CC=C12 MC441318 [0,0,0,1,0,0|1,0,2]=4 125 B11R2.1 O=C1CSC2=C1C=CC=C2 CS20606 [0,0,0,1,0,0|0,1,2]=4 126 B11R2.1 OC1=NOC2=C1C=CC=C2 MC442249 [0,0,0,1,0,0|1,0,1]=3 127 B11R2.1 OC1CCC2=CC=CN=C21 CS10573 [0,0,0,1,0,0|2,0,0]=3 128 B11R2.1 ON1N=NC2=C1C=CC=C2 CS19338 [0,0,0,1,0,0|3,0,0]=4 129 B11R2.1 ON1N=NC2=C1C=CC=C2 CS22993 [0,0,0,1,0,0|3,0,0]=4 130 B11R2.4 NC1CC1C2=CC=CC=C2 MC100890 [0,0,0,1,0,0|2,0,0]=3 131 B11R2.4 NC1CC1C2=CC=CC=C2 MC106461 [0,0,0,1,0,0|2,0,0]=3 132 B11R2.20 C1=CC2=C(CCCC2)N=C1 CS13407 [0,0,0,1,0,0|3,0,0]=4 133 B11R2.20 C1=CC2=C(N=C1)NCCN2 CS12464 [0,0,0,1,0,0|3,0,0]=4 134 B11R2.20 C1=CC=C2CNCCC2=C1 CS19412 [0,0,0,1,0,0|3,0,0]=4 135 B11R2.20 C1=CC=C2COCCC2=C1 CS19933 [0,0,0,1,0,0|3,0,0]=4 136 B11R2.20 C1=CC=C2NCCNC2=C1 CS19000 [0,0,0,1,0,0|2,0,0]=3 137 B11R2.20 C1=CN=C2NCCCC2=C1 CS20465 [0,0,0,1,0,0|3,0,0]=4 138 B11R2.20 C1=NC=C2CCCNC2=C1 MC105356 [0,0,0,1,0,0|3,0,0]=4 139 B11R2.238 C1=CC=C(CC2CN2)C=C1 CS19482 [0,0,0,1,0,0|2,0,0]=3 140 B11R2.238 C1=CC=C(SC2CC2)C=C1 MC20576 [0,0,0,1,0,0|1,1,0]=3 141 B9R1.12 CCCCC1C=CC=C1 MC114482 [0,0,0,0,1,0|2,0,1]=4 142 B9R1.12 OCCCC1=CN=CN1 MC443843 [0,0,0,0,1,0|3,0,0]=4 143 B8R0.1 CCOC(=O)\C=C\C=O CS11394 [1,0,1,0,0,0|2,0,0]=4 144 B8R1.2 BrCC1=CC=NC=C1 CS22459 [2,0,0,0,0,0|2,0,0]=4 145 B8R1.2 BrCC1=CC=NC=C1 MC111773 [2,0,0,0,0,0|2,0,0]=4 146 B8R1.2 C#CC1=CC=CC=C1 CS19127 [2,0,0,0,0,0|0,0,2]=4 147 B8R1.2 CCC1=CC=CC=C1 MC41556 [2,0,0,0,0,0|0,0,0]=2 148 B8R1.2 CCC1=CC=CN=C1 CS22277 [2,0,0,0,0,0|1,0,0]=3 149 B8R1.2 CCC1=NC=CN=C1 CS21534 [2,0,0,0,0,0|2,0,0]=4 150 B8R1.2 CNC1=CC=CC=C1 CS11792 [2,0,0,0,0,0|1,0,0]=3 151 B8R1.2 CNC1=CC=CN=C1 CS13856 [2,0,0,0,0,0|2,0,0]=4 152 B8R1.2 CNC1=CC=NC=C1 MC41620 [2,0,0,0,0,0|2,0,0]=4 153 B8R1.2 COC1=CC=CC=C1 MC41309 [2,0,0,0,0,0|0,0,0]=2 154 B8R1.2 COC1=CC=CN=C1 CS22348 [2,0,0,0,0,0|1,0,0]=3 155 B8R1.2 COC1=CC=CN=N1 CS22347 [2,0,0,0,0,0|2,0,0]=4 156 B8R1.2 COC1=CC=NC=C1 CS19206 [2,0,0,0,0,0|1,0,0]=3 157 B8R1.2 COC1=CN=CN=C1 MC428182 [2,0,0,0,0,0|2,0,0]=4 158 B8R1.2 COC1=CN=NC=C1 MC427243 [2,0,0,0,0,0|2,0,0]=4 159 B8R1.2 COC1=NC=CC=C1 CS18780 [2,0,0,0,0,0|1,0,0]=3 160 B8R1.2 COC1=NC=CN=C1 CS17887 [2,0,0,0,0,0|2,0,0]=4 161 B8R1.2 CSC1=CC=CC=C1 MC439137 [2,0,0,0,0,0|0,1,0]=3 162 B8R1.2 CSC1=NC=CC=C1 MC41628 [2,0,0,0,0,0|1,1,0]=4 163 B8R1.2 ClCC1=CC=CN=C1 CS19291 [2,0,0,0,0,0|2,0,0]=4 164 B8R1.2 ClCC1=NC=CC=C1 CS19289 [2,0,0,0,0,0|2,0,0]=4 165 B8R1.2 ICC1=CC=CC=C1 CS11000 [2,0,0,0,0,0|1,0,0]=3 166 B8R1.2 ICC1=CC=CN=C1 MC430640 [2,0,0,0,0,0|2,0,0]=4 167 B8R1.2 I[Zn]c1ccccc1 MC121332 [2,0,0,0,0,0|2,0,0]=4 168 B8R1.2 N#CC1=CC=CC=C1 MC40623 [2,0,0,0,0,0|1,0,1]=4 169 B8R1.2 N#Cc1ccccc1 CS13696 [2,0,0,0,0,0|1,0,1]=4 170 B8R1.2 NCC1=CC=CC=C1 MC40797 [2,0,0,0,0,0|1,0,0]=3 171 B8R1.2 NCC1=CC=CN=C1 CS14226 [2,0,0,0,0,0|2,0,0]=4 172 B8R1.2 NCC1=CC=NC=C1 CS11906 [2,0,0,0,0,0|2,0,0]=4 173 B8R1.2 NCC1=CC=NC=C1 CS19023 [2,0,0,0,0,0|2,0,0]=4 174 B8R1.2 NNC1=CC=CC=C1 CS15210 [2,0,0,0,0,0|2,0,0]=4 175 B8R1.2 NNC1=CC=CC=C1 MC427075 [2,0,0,0,0,0|2,0,0]=4 176 B8R1.2 O=NC1=CC=CC=C1 MC33163 [2,0,0,0,0,0|1,0,1]=4 177 B8R1.2 OCC1=CC=CC=C1 MC40684 [2,0,0,0,0,0|0,0,0]=2 178 B8R1.2 OCC1=CC=CN=C1 CS22409 [2,0,0,0,0,0|1,0,0]=3 179 B8R1.2 OCC1=CC=CN=N1 CS21870 [2,0,0,0,0,0|2,0,0]=4 180 B8R1.2 OCC1=CC=NC=C1 CS19163 [2,0,0,0,0,0|1,0,0]=3 181 B8R1.2 OCC1=CN=CN=C1 MC444370 [2,0,0,0,0,0|2,0,0]=4 182 B8R1.2 OCC1=CN=NC=C1 MC444363 [2,0,0,0,0,0|2,0,0]=4 183 B8R1.2 OCC1=NC=CC=C1 CS19164 [2,0,0,0,0,0|1,0,0]=3 184 B8R1.2 OCC1=NC=CC=N1 CS19924 [2,0,0,0,0,0|2,0,0]=4 185 B8R1.2 OCC1=NC=CN=C1 CS21749 [2,0,0,0,0,0|2,0,0]=4 186 B8R1.2 OCC1=NC=NC=C1 CS11915 [2,0,0,0,0,0|2,0,0]=4 187 B10R1.1 Br[Zn]Cc1ccc(Br)cc1 MC121353 [1,1,0,0,0,0|2,0,0]=4 188 B10R1.1 C=COC1=CC=C(I)C=C1 MC103309 [1,1,0,0,0,0|0,0,2]=4 189 B10R1.1 CC1=CC=C(CC#N)C=C1 CS21709 [1,1,0,0,0,0|1,0,1]=4 190 B10R1.1 CC1=CC=C(CCBr)C=C1 CS19977 [1,1,0,0,0,0|1,0,0]=3 191 B10R1.1 CC1=CC=C(CCN)C=C1 CS18979 [1,1,0,0,0,0|1,0,0]=3 192 B10R1.1 CC1=CC=C(CCO)C=C1 MC40744 [1,1,0,0,0,0|0,0,0]=2 193 B10R1.1 CC1=CC=C(CNN)C=C1 CS20201 [1,1,0,0,0,0|2,0,0]=4 194 B10R1.1 CCCC1=CC=C(Br)C=C1 CS10896 [1,1,0,0,0,0|1,0,0]=3 195 B10R1.1 CCOC1=CC=C(Br)C=C1 MC446797 [1,1,0,0,0,0|0,0,0]=2 196 B10R1.1 CCOC1=CC=C(I)C=C1 CS22907 [1,1,0,0,0,0|0,0,0]=2 197 B10R1.1 CCOC1=CC=C(N)C=C1 CS11879 [1,1,0,0,0,0|0,0,0]=2 198 B10R1.1 CCOC1=CC=C(N)N=N1 CS10700 [1,1,0,0,0,0|2,0,0]=4 199 B10R1.1 CCOC1=CN=C(Br)N=C1 MC444172 [1,1,0,0,0,0|2,0,0]=4 200 B10R1.1 CCOC1=CN=C(N)C=C1 CS15063 [1,1,0,0,0,0|1,0,0]=3 201 B10R1.1 CCOC1=NC=C(Br)C=C1 CS22026 [1,1,0,0,0,0|1,0,0]=3 202 B10R1.1 CCOC1=NC=C(N)C=C1 CS14713 [1,1,0,0,0,0|1,0,0]=3 203 B10R1.1 CNCC1=CC=C(Br)C=C1 CS19272 [1,1,0,0,0,0|2,0,0]=4 204 B10R1.1 CNCC1=CC=C(C)C=C1 CS11795 [1,1,0,0,0,0|2,0,0]=4 205 B10R1.1 ClC1=CC=C(CCBr)C=C1 CS10835 [1,1,0,0,0,0|1,0,0]=3 206 B10R1.1 ClCCC1=CC=C(Cl)C=C1 MC433885 [1,1,0,0,0,0|1,0,0]=3 207 B10R1.1 FC1=CC=C(CCBr)C=C1 CS10866 [1,1,0,0,0,0|1,0,0]=3 208 B10R1.1 Fc1ccc(C[Zn]Cl)cc1 MC121346 [1,1,0,0,0,0|2,0,0]=4 209 B10R1.1 N#CCC1=CC=C(Br)C=C1 CS20687 [1,1,0,0,0,0|1,0,1]=4 210 B10R1.1 N#CCC1=CC=C(Cl)C=C1 MC20790 [1,1,0,0,0,0|1,0,1]=4 211 B10R1.1 N#CCC1=CC=C(F)C=C1 CS14479 [1,1,0,0,0,0|1,0,1]=4 212 B10R1.1 N#CCC1=CC=C(I)C=C1 MC40782 [1,1,0,0,0,0|1,0,1]=4 213 B10R1.1 N#CCC1=CC=C(N)C=C1 MC40751 [1,1,0,0,0,0|1,0,1]=4 214 B10R1.1 NC1=CC=C(CCO)C=C1 CS13450 [1,1,0,0,0,0|0,0,0]=2 215 B10R1.1 NCCC1=CC=C(Br)C=C1 CS19296 [1,1,0,0,0,0|1,0,0]=3 216 B10R1.1 NCCC1=CC=C(Cl)C=C1 MC40975 [1,1,0,0,0,0|1,0,0]=3 217 B10R1.1 NCCC1=CC=C(F)C=C1 CS13766 [1,1,0,0,0,0|1,0,0]=3 218 B10R1.1 NCCC1=CC=C(N)C=C1 MC33045 [1,1,0,0,0,0|1,0,0]=3 219 B10R1.1 NCCC1=CC=C(O)C=C1 CS22315 [1,1,0,0,0,0|1,0,0]=3 220 B10R1.1 NCCC1=CNC(=O)C=C1 MC33499 [1,1,0,0,0,0|2,0,0]=4 221 B10R1.1 NNCC1=CC=C(F)C=C1 CS17057 [1,1,0,0,0,0|2,0,0]=4 222 B10R1.1 O=CCC1=CC=C(Br)C=C1 CS18203 [1,1,0,0,0,0|0,0,2]=4 223 B10R1.1 OCCC1=CC=C(Br)C=C1 CS14491 [1,1,0,0,0,0|0,0,0]=2 224 B10R1.1 OCCC1=CC=C(Cl)C=C1 CS22791 [1,1,0,0,0,0|0,0,0]=2 225 B10R1.1 OCCC1=CC=C(F)C=C1 MC33200 [1,1,0,0,0,0|0,0,0]=2 226 B10R1.1 OCCC1=CC=C(I)C=C1 CS12086 [1,1,0,0,0,0|0,0,0]=2 227 B10R1.1 OCCC1=CC=C(O)C=C1 CS20458 [1,1,0,0,0,0|0,0,0]=2 228 B10R1.1 OCCC1=NC=C(Br)C=C1 MC102395 [1,1,0,0,0,0|1,0,0]=3 229 B10R1.4 Br[Zn]Cc1ccccc1Br MC121351 [1,1,0,0,0,0|2,0,0]=4 230 B10R1.4 CC1=C(CC#N)C=CC=C1 CS11825 [1,1,0,0,0,0|1,0,1]=4 231 B10R1.4 CC1=CC=CN=C1CCN MC33439 [1,1,0,0,0,0|2,0,0]=4 232 B10R1.4 CCOC1=C(Br)C=CC=C1 MC20149 [1,1,0,0,0,0|0,0,0]=2 233 B10R1.4 CCOC1=C(Br)C=NC=C1 MC443330 [1,1,0,0,0,0|1,0,0]=3 234 B10R1.4 CCOC1=C(N)C=CC=C1 CS11823 [1,1,0,0,0,0|0,0,0]=2 235 B10R1.4 CCOC1=C(N)C=CN=C1 MC442472 [1,1,0,0,0,0|1,0,0]=3 236 B10R1.4 CCOC1=C(O)C=CC=C1 MC41194 [1,1,0,0,0,0|0,0,0]=2 237 B10R1.4 CCOC1=CC=CN=C1C MC443397 [1,1,0,0,0,0|1,0,0]=3 238 B10R1.4 CCOC1=CC=CN=C1O MC110935 [1,1,0,0,0,0|1,0,0]=3 239 B10R1.4 CCOC1=CN=CN=C1N CS17842 [1,1,0,0,0,0|2,0,0]=4 240 B10R1.4 CCOC1=NC=CN=C1N CS21230 [1,1,0,0,0,0|2,0,0]=4 241 B10R1.4 CNCC1=C(F)C=CC=C1 MC40828 [1,1,0,0,0,0|2,0,0]=4 242 B10R1.4 COCC1=C(Br)C=CC=C1 MC41399 [1,1,0,0,0,0|2,0,0]=4 243 B10R1.4 Fc1ccccc1C[Zn]Cl MC121344 [1,1,0,0,0,0|2,0,0]=4 244 B10R1.4 N#CCC1=C(Br)C=CC=C1 CS10707 [1,1,0,0,0,0|1,0,1]=4 245 B10R1.4 N#CCC1=C(Cl)C=CC=C1 CS21495 [1,1,0,0,0,0|1,0,1]=4 246 B10R1.4 N#CCC1=C(F)C=CC=C1 CS20772 [1,1,0,0,0,0|1,0,1]=4 247 B10R1.4 N#CCC1=C(I)C=CC=C1 MC40781 [1,1,0,0,0,0|1,0,1]=4 248 B10R1.4 N#CCC1=C(N)C=CC=C1 CS20914 [1,1,0,0,0,0|1,0,1]=4 249 B10R1.4 NCCC1=C(Br)C=CC=C1 CS15138 [1,1,0,0,0,0|1,0,0]=3 250 B10R1.4 NCCC1=C(F)C=CC=C1 CS14793 [1,1,0,0,0,0|1,0,0]=3 251 B10R1.4 NCCC1=C(N)C=CC=C1 CS15970 [1,1,0,0,0,0|1,0,0]=3 252 B10R1.4 NCCC1=NC=CC=C1Br MC104547 [1,1,0,0,0,0|2,0,0]=4 253 B10R1.4 NCCN1C=CC=CC1=O MC431465 [1,1,0,0,0,0|2,0,0]=4 254 B10R1.4 NNCC1=C(F)C=CC=C1 CS20134 [1,1,0,0,0,0|2,0,0]=4 255 B10R1.4 NNCc1ccccc1F MC443842 [1,1,0,0,0,0|2,0,0]=4 256 B10R1.4 O=CCC1=C(F)C=CC=C1 MC431003 [1,1,0,0,0,0|0,0,2]=4 257 B10R1.4 OC1=C(CCI)C=CC=C1 MC430321 [1,1,0,0,0,0|1,0,0]=3 258 B10R1.4 OCCC1=C(Br)C=CC=C1 CS21407 [1,1,0,0,0,0|0,0,0]=2 259 B10R1.4 OCCC1=C(Cl)C=CC=C1 MC40737 [1,1,0,0,0,0|0,0,0]=2 260 B10R1.4 OCCC1=C(F)C=CC=C1 MC33149 [1,1,0,0,0,0|0,0,0]=2 261 B10R1.4 O\N=C\C1=C(F)C=CC=C1 MC106948 [1,1,0,0,0,0|1,0,1]=4 262 B10R1.4 O\N=C\C1=C(F)C=CC=C1 MC433456 [1,1,0,0,0,0|1,0,1]=4 263 B10R1.10 Br[Zn]Cc1cccc(Br)c1 MC121352 [1,1,0,0,0,0|2,0,0]=4 264 B10R1.10 C=CCC1=CC=CC(O)=C1 MC425380 [1,1,0,0,0,0|1,0,1]=4 265 B10R1.10 CC1=CC(CC#N)=CC=C1 CS18941 [1,1,0,0,0,0|1,0,1]=4 266 B10R1.10 CC1=CC(CCO)=CC=C1 CS22372 [1,1,0,0,0,0|0,0,0]=2 267 B10R1.10 CCCc1cccc(F)c1 MC440476 [1,1,0,0,0,0|1,0,0]=3 268 B10R1.10 CCNC1=NC=CC(N)=C1 CS14774 [1,1,0,0,0,0|2,0,0]=4 269 B10R1.10 CCOC1=CC(Br)=NC=C1 MC430483 [1,1,0,0,0,0|1,0,0]=3 270 B10R1.10 CCOC1=CC(N)=NC=C1 MC20309 [1,1,0,0,0,0|1,0,0]=3 271 B10R1.10 CCOC1=CC(N)=NC=N1 MC443763 [1,1,0,0,0,0|2,0,0]=4 272 B10R1.10 CCOC1=CC=CC(N)=N1 MC33459 [1,1,0,0,0,0|1,0,0]=3 273 B10R1.10 CCOC1=CN=CC(Br)=C1 MC107004 [1,1,0,0,0,0|1,0,0]=3 274 B10R1.10 CCOC1=CN=CC(Cl)=C1 MC443271 [1,1,0,0,0,0|1,0,0]=3 275 B10R1.10 CCOC1=NC=CC(Cl)=C1 MC113277 [1,1,0,0,0,0|1,0,0]=3 276 B10R1.10 FC1=CC=CC(CCBr)=C1 MC40572 [1,1,0,0,0,0|1,0,0]=3 277 B10R1.10 Fc1cccc(C[Zn]Cl)c1 MC121345 [1,1,0,0,0,0|2,0,0]=4 278 B10R1.10 N#CCC1=CC(Br)=CC=C1 CS18969 [1,1,0,0,0,0|1,0,1]=4 279 B10R1.10 N#CCC1=CC(Cl)=CC=C1 CS13745 [1,1,0,0,0,0|1,0,1]=4 280 B10R1.10 N#CCC1=CC(F)=CC=C1 MC20212 [1,1,0,0,0,0|1,0,1]=4 281 B10R1.10 N#CCC1=CC(N)=CC=C1 MC433930 [1,1,0,0,0,0|1,0,1]=4 282 B10R1.10 NC1=CC=CC(CCO)=C1 CS22105 [1,1,0,0,0,0|0,0,0]=2 283 B10R1.10 NCCC1=CC(Br)=CC=C1 CS15159 [1,1,0,0,0,0|1,0,0]=3 284 B10R1.10 NCCC1=CC(F)=CC=C1 MC40979 [1,1,0,0,0,0|1,0,0]=3 285 B10R1.10 NNCC1=CC(O)=CC=C1 MC10382 [1,1,0,0,0,0|2,0,0]=4 286 B10R1.10 O=CCC1=CC(O)=CC=C1 MC106361 [1,1,0,0,0,0|0,0,2]=4 287 B10R1.10 OCCC1=CC(Br)=CC=C1 CS22186 [1,1,0,0,0,0|0,0,0]=2 288 B10R1.10 OCCC1=CC(Cl)=CC=C1 CS22241 [1,1,0,0,0,0|0,0,0]=2 289 B10R1.10 OCCC1=CC(F)=CC=C1 MC40743 [1,1,0,0,0,0|0,0,0]=2 290 B10R1.15 C=C(CBr)C1=CC=CC=C1 CS20091 [1,1,0,0,0,0|1,0,1]=4 291 B10R1.15 C=CC(N)C1=CC=CC=C1 MC102512 [1,1,0,0,0,0|1,0,1]=4 292 B10R1.15 CC(CN)C1=CC=CC=C1 CS10909 [1,1,0,0,0,0|1,0,0]=3 293 B10R1.15 CC(CN)c1ccccc1 MC110750 [1,1,0,0,0,0|1,0,0]=3 294 B10R1.15 CC(NO)c1ccccc1 MC103844 [1,1,0,0,0,0|1,0,0]=3 295 B10R1.15 CC(NO)c1ccccc1 MC103845 [1,1,0,0,0,0|1,0,0]=3 296 B10R1.15 CCC(C)C1=CC=CC=C1 CS11947 [1,1,0,0,0,0|1,0,0]=3 297 B10R1.15 CCC(C)C1=CC=CC=C1 MC433489 [1,1,0,0,0,0|1,0,0]=3 298 B10R1.15 CCC(N)C1=CC=CC=C1 MC20337 [1,1,0,0,0,0|1,0,0]=3 299 B10R1.15 COC(=O)C1=CC=CC=C1 MC40065 [1,1,0,0,0,0|2,0,0]=4 300 B10R1.15 FC(CBr)C1=CC=CC=C1 MC102769 [1,1,0,0,0,0|1,0,0]=3 301 B10R1.15 N#CC(N)C1=CC=CC=C1 MC31161 [1,1,0,0,0,0|1,0,1]=4 302 B10R1.15 NC(CO)C1=CC=CC=C1 CS10553 [1,1,0,0,0,0|0,0,0]=2 303 B10R1.15 NC(CO)C1=CC=CC=C1 CS10555 [1,1,0,0,0,0|0,0,0]=2 304 B10R1.15 NC(CO)C1=CC=CC=C1 CS15860 [1,1,0,0,0,0|0,0,0]=2 305 B10R1.15 NC(CO)C1=NC=CC=C1 MC111155 [1,1,0,0,0,0|1,0,0]=3 306 B10R1.15 NCC(=O)C1=CC=CC=C1 CS10874 [1,1,0,0,0,0|1,0,1]=4 307 B10R1.15 NCC(O)C1=CC=CC=C1 CS20485 [1,1,0,0,0,0|1,0,0]=3 308 B10R1.15 NCC(O)C1=CC=CC=C1 MC444625 [1,1,0,0,0,0|1,0,0]=3 309 B10R1.15 NCC(O)C1=CC=CN=C1 MC103058 [1,1,0,0,0,0|2,0,0]=4 310 B10R1.15 NCC(O)C1=NC=CC=C1 MC33503 [1,1,0,0,0,0|2,0,0]=4 311 B10R1.15 O=C(CBr)C1=CC=CC=C1 CS19274 [1,1,0,0,0,0|1,0,1]=4 312 B10R1.15 O=C(CCl)C1=CC=CC=C1 MC20159 [1,1,0,0,0,0|1,0,1]=4 313 B10R1.15 O=C(CI)C1=CC=CC=C1 MC433244 [1,1,0,0,0,0|1,0,1]=4 314 B10R1.15 OC(CBr)C1=CC=CC=C1 CS18840 [1,1,0,0,0,0|1,0,0]=3 315 B10R1.15 OC(CCl)C1=CC=CN=C1 MC103059 [1,1,0,0,0,0|2,0,0]=4 316 B10R1.15 OCC(F)C1=CC=CC=C1 MC430923 [1,1,0,0,0,0|0,0,0]=2 317 B10R1.18 CC(=O)NC1=CC=CC=C1 MC34102 [1,1,0,0,0,0|1,0,1]=4 318 B10R1.18 CC(Br)CC1=CC=CC=C1 MC41813 [1,1,0,0,0,0|1,0,0]=3 319 B10R1.18 CC(C)NC1=CC=CC=C1 CS11787 [1,1,0,0,0,0|1,0,0]=3 320 B10R1.18 CC(C)OC1=CC=CC=C1 MC41360 [1,1,0,0,0,0|0,0,0]=2 321 B10R1.18 FC(F)OC1=CC=CC=C1 MC41385 [1,1,0,0,0,0|1,0,0]=3 322 B10R1.18 FC(F)OC1=NC=CC=C1 MC116213 [1,1,0,0,0,0|2,0,0]=4 323 B10R1.18 FC(F)SC1=CC=CC=C1 MC428027 [1,1,0,0,0,0|1,1,0]=4 324 B10R1.18 NC(=O)OC1=CC=CC=C1 MC428148 [1,1,0,0,0,0|0,0,2]=4 325 B10R1.18 O=C(Cl)OC1=CC=CC=C1 CS18823 [1,1,0,0,0,0|0,0,2]=4 326 B10R1.18 O=C(O)CC1=CC=CN=C1 CS20325 [1,1,0,0,0,0|1,0,1]=4 327 B10R1.18 O=C(O)CC1=CC=NC=C1 CS20327 [1,1,0,0,0,0|1,0,1]=4 328 B10R1.18 O=C(O)CC1=CC=NC=C1 MC41632 [1,1,0,0,0,0|1,0,1]=4 329 B10R1.18 O=C(O)CC1=NC=CC=C1 MC41631 [1,1,0,0,0,0|1,0,1]=4 330 B10R1.18 O=C([O-])CC1=CC=CC=C1 MC34448 [1,1,0,0,0,0|0,0,2]=4 331 B12R1.1 COCCOC1=CC=C(N)C=C1 CS13382 [0,2,0,0,0,0|0,0,0]=2 332 B12R1.1 COCCOC1=CN=C(N)C=N1 CS14433 [0,2,0,0,0,0|2,0,0]=4 333 B12R1.1 OC1=CC=C(OCCCBr)C=C1 MC103168 [0,2,0,0,0,0|1,0,0]=3 334 B12R1.16 CN(CCO)C1=CC=C(N)N=C1 MC425888 [0,2,0,0,0,0|2,0,0]=4 335 B12R1.16 NC(CCO)C1=CC=C(Cl)C=C1 CS14753 [0,2,0,0,0,0|1,0,0]=3 336 B12R1.16 NC(CCO)C1=CC=C(F)C=C1 CS19558 [0,2,0,0,0,0|1,0,0]=3 337 B12R1.16 NC(CCO)C1=CC=C(F)C=C1 MC106616 [0,2,0,0,0,0|1,0,0]=3 338 B12R1.16 O=C(CCCl)C1=CC=C(Br)C=C1 MC41277 [0,2,0,0,0,0|2,0,0]=4 339 B12R1.16 O=C(CCCl)C1=CC=C(Cl)C=C1 MC433259 [0,2,0,0,0,0|2,0,0]=4 340 B12R1.16 O=C(CCCl)C1=CC=C(F)C=C1 CS14887 [0,2,0,0,0,0|2,0,0]=4 341 B12R1.21 CC(C)CNC1=CC=C(Br)C=C1 MC106746 [0,2,0,0,0,0|2,0,0]=4 342 B12R1.21 CC(O)\C=C\C1=CC=C(Br)C=C1 MC106116 [0,2,0,0,0,0|1,0,1]=4 343 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 CS21832 [0,2,0,0,0,0|1,0,1]=4 344 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 CS21674 [0,2,0,0,0,0|1,0,1]=4 345 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 CS19854 [0,2,0,0,0,0|1,0,1]=4 346 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 CS21107 [0,2,0,0,0,0|1,0,1]=4 347 B12R1.21 O=C(O)CSC1=CC=C(F)C=C1 MC41825 [0,2,0,0,0,0|0,1,1]=4 348 B12R1.49 NC(CO)CC1=CC=C(I)C=C1 MC115448 [0,2,0,0,0,0|1,0,0]=3 349 B12R1.49 NC(CO)Cc1ccc(O)cc1 MC439069 [0,2,0,0,0,0|1,0,0]=3 350 B12R1.69 BrCCOC1=C(Br)C=C(Br)C=C1 MC425135 [0,2,0,0,0,0|1,0,0]=3 351 B12R1.69 CCCCC1=C(O)C=C(O)C=C1 MC443141 [0,2,0,0,0,0|2,0,0]=4 352 B12R1.69 COCOC1=C(F)C=C(F)C=C1 MC106527 [0,2,0,0,0,0|2,0,0]=4 353 B12R1.69 NC1=CC(N)=C(OCCO)C=C1 CS17227 [0,2,0,0,0,0|0,0,0]=2 354 B12R1.71 C#CC1=CC=C(CCCC)C=C1 CS11680 [0,2,0,0,0,0|2,0,0]=4 355 B12R1.71 N#CC1=CC=C(CCCO)C=C1 CS14888 [0,2,0,0,0,0|1,0,0]=3 356 B12R1.71 O=CC1=CC=C(OCCCl)C=C1 MC41102 [0,2,0,0,0,0|1,0,0]=3 357 B12R1.385 CC1=C(O)C=C(NCCO)C=C1 CS21891 [0,2,0,0,0,0|1,0,0]=3 358 B12R1.385 CCCCC1=CC=C(N)C(N)=C1 MC445204 [0,2,0,0,0,0|2,0,0]=4 359 B12R1.17 NC(CCO)C1=CC(Cl)=CC=C1 CS19263 [0,2,0,0,0,0|1,0,0]=3 360 B12R1.30 CCCOC(=O)C1=CC=CC=C1 CS11887 [0,2,0,0,0,0|1,0,0]=3 361 B12R1.30 O=C(C#CCO)C1=CC=CC=C1 MC111021 [0,2,0,0,0,0|1,0,1]=4 362 B12R1.30 O=C(NCCO)C1=CN=CC=C1 CS11709 [0,2,0,0,0,0|2,0,0]=4 363 B12R1.30 O=C(OCCCl)C1=CC=CC=C1 MC40015 [0,2,0,0,0,0|1,0,0]=3 364 B12R1.34 NC(CO)C(O)C1=CC=CC=C1 MC20366 [0,2,0,0,0,0|1,0,0]=3 365 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 MC42229 [0,2,0,0,0,0|1,0,1]=4 366 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 MC428246 [0,2,0,0,0,0|1,0,1]=4 367 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 CS22312 [0,2,0,0,0,0|1,0,1]=4 368 B12R1.308 CCCC(=O)C1=C(N)C=CC=C1 MC430441 [0,2,0,0,0,0|2,0,0]=4 369 B12R1.308 O=C(CCCl)C1=C(Cl)C=CC=C1 MC429389 [0,2,0,0,0,0|2,0,0]=4 370 B12R1.25 COCOC1=CC=CC(Br)=C1O MC442836 [0,2,0,0,0,0|2,0,0]=4 371 B12R1.121 COC1=C(OCC=O)C=CC=C1 MC112452 [0,2,0,0,0,0|0,0,2]=4 372 B12R1.121 COC1=C(OCCN)C=CC=C1 CS21224 [0,2,0,0,0,0|1,0,0]=3 373 B12R1.125 O=C(O)CCC1=C(Br)C=CC=C1 CS21656 [0,2,0,0,0,0|1,0,1]=4 374 B12R1.125 O=C(O)CNC1=C(F)C=CC=C1 MC106617 [0,2,0,0,0,0|1,0,1]=4 375 B12R1.125 O=C(O)CNc1ccccc1Cl MC439220 [0,2,0,0,0,0|1,0,1]=4 376 B12R1.267 BrCCCOC1=C(Br)C=CC=C1 MC425134 [0,2,0,0,0,0|1,0,0]=3 377 B12R1.267 NCCCOC1=C(F)C=CC=C1 MC431473 [0,2,0,0,0,0|1,0,0]=3 378 B12R1.374 BrCCOC1=C(Br)C=CC(Br)=C1 MC106792 [0,2,0,0,0,0|1,0,0]=3 379 B12R1.28 CCCCOC1=CC=CC(O)=C1 MC445596 [0,2,0,0,0,0|1,0,0]=3 380 B12R1.28 NCCCOC1=CC(Cl)=CC=C1 MC425612 [0,2,0,0,0,0|1,0,0]=3 381 B12R1.50 CCC(C)OC1=CC=CC(O)=C1 MC112599 [0,2,0,0,0,0|1,0,0]=3 382 B12R1.50 NC(CO)CC1=CC(F)=CC=C1 MC431472 [0,2,0,0,0,0|1,0,0]=3 383 B12R1.100 CCCCC1=CC(F)=CC(F)=C1 MC440247 [0,2,0,0,0,0|2,0,0]=4 384 B12R1.226 CC(C)COC1=CC=CC(O)=C1 MC112276 [0,2,0,0,0,0|1,0,0]=3 385 B12R1.226 O=C(O)CCC1=CC(Br)=CC=C1 CS21658 [0,2,0,0,0,0|1,0,1]=4 386 B12R1.226 O=C(O)CCC1=CC(Cl)=CC=C1 CS13948 [0,2,0,0,0,0|1,0,1]=4 387 B12R1.226 O=C(O)CCc1cccc(F)c1 MC40203 [0,2,0,0,0,0|1,0,1]=4 388 B12R1.382 C=CCOC1=CC=CC(C=O)=C1 MC425419 [0,2,0,0,0,0|1,0,1]=4 389 B12R1.8 BrCCCOCC1=CC=CC=C1 CS10023 [0,2,0,0,0,0|1,0,0]=3 390 B12R1.8 C#CCCNCC1=CC=CC=C1 MC431217 [0,2,0,0,0,0|2,0,0]=4 391 B12R1.8 CNCCNCC1=CC=CC=C1 MC107809 [0,2,0,0,0,0|2,0,0]=4 392 B12R1.8 N#CCSCCC1=CC=CC=C1 MC107687 [0,2,0,0,0,0|2,0,0]=4 393 B12R1.8 NCCCNCC1=CC=CC=C1 CS11742 [0,2,0,0,0,0|2,0,0]=4 394 B12R1.8 OCCCCCC1=CC=CC=C1 MC443206 [0,2,0,0,0,0|1,0,0]=3 395 B12R1.27 CC(CO)NCC1=CC=CC=C1 CS11754 [0,2,0,0,0,0|1,0,0]=3 396 B12R1.27 CC(CO)OCC1=CC=CC=C1 MC106974 [0,2,0,0,0,0|0,0,0]=2 397 B12R1.27 COC(=O)CCC1=CC=CC=C1 MC433965 [0,2,0,0,0,0|1,0,1]=4 398 B12R1.27 NCC(=O)OCC1=CC=CC=C1 MC428105 [0,2,0,0,0,0|1,0,1]=4 399 B12R1.27 NCC(=O)OCc1ccccc1 MC437714 [0,2,0,0,0,0|1,0,1]=4 400 B12R1.27 NCC(=O)OCc1ccccc1 MC437715 [0,2,0,0,0,0|1,0,1]=4 401 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 CS19947 [0,2,0,0,0,0|1,0,1]=4 402 B12R1.32 CN(CCO)CC1=CC=CC=C1 CS11755 [0,2,0,0,0,0|1,0,0]=3 403 B12R1.252 CC(O)COCC1=CC=CC=C1 CS20248 [0,2,0,0,0,0|0,0,0]=2 404 B12R1.252 CN(C)CCOC1=CC=CC=C1 CS11261 [0,2,0,0,0,0|1,0,0]=3 405 B12R1.252 NC(=S)COCC1=CC=CC=C1 MC430689 [0,2,0,0,0,0|0,1,1]=4 406 B12R1.252 O=C(O)CCCC1=NC=CC=C1 CS12802 [0,2,0,0,0,0|2,0,0]=4 407 B12R1.252 O=C(O)CCOC1=CC=CC=C1 MC40204 [0,2,0,0,0,0|0,0,0]=2 408 B12R1.252 O=C(O)CNCC1=CC=CC=C1 CS21182 [0,2,0,0,0,0|1,0,1]=4 409 B12R1.252 O=C(O)COCC1=CC=CC=C1 CS14115 [0,2,0,0,0,0|0,0,1]=3 410 B12R1.43 CC(NC1=CC=CC=C1)C(=O)O MC20809 [0,2,0,0,0,0|1,0,1]=4 411 B12R1.43 NC(CC1=CC=CC=C1)B(O)O MC442654 [0,2,0,0,0,0|2,0,0]=4 412 B12R1.43 NC(CC1=CC=CC=C1)B(O)O MC442683 [0,2,0,0,0,0|2,0,0]=4 413 B12R1.43 NC(CC1=CC=CC=C1)B(O)O MC442684 [0,2,0,0,0,0|2,0,0]=4 414 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O CS15443 [0,2,0,0,0,0|1,0,1]=4 415 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O CS18748 [0,2,0,0,0,0|1,0,1]=4 416 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O CS21178 [0,2,0,0,0,0|1,0,1]=4 417 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 CS15800 [0,2,0,0,0,0|1,0,1]=4 418 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 CS21095 [0,2,0,0,0,0|1,0,1]=4 419 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 MC438099 [0,2,0,0,0,0|1,0,1]=4 420 B12R1.891 CC(C)(O)C#CC1=CC=CC=C1 MC443724 [0,2,0,0,0,0|1,0,1]=4 421 B12R1.891 FC(F)(F)CNC1=CC=CC=C1 MC431070 [0,2,0,0,0,0|2,0,0]=4 422 B10R2.6 C1=CC=C(C2CO2)C=C1 MC20326 [1,0,0,1,0,0|0,0,0]=2 423 B10R2.6 C1=CC=C(C2CO2)C=C1 MC445226 [1,0,0,1,0,0|0,0,0]=2 424 B10R2.7 C1=CC2=C(C=C1)CSC2 MC114506 [1,0,0,1,0,0|2,0,0]=4 425 B10R2.7 C1=CC2=C(C=C1)OC=N2 CS10994 [1,0,0,1,0,0|1,0,1]=4 426 B10R2.7 C1=CC2=C(C=C1)OCC2 CS20929 [1,0,0,1,0,0|0,0,0]=2 427 B10R2.7 C1=CC2=C(C=C1)OCO2 CS20505 [1,0,0,1,0,0|0,0,0]=2 428 B10R2.7 C1=CC=C2CC=CC2=C1 MC20914 [1,0,0,1,0,0|1,0,1]=4 429 B10R2.7 C1=CC=C2CNCC2=C1 CS11516 [1,0,0,1,0,0|2,0,0]=4 430 B10R2.7 C1=CC=C2CNCC2=C1 MC442466 [1,0,0,1,0,0|2,0,0]=4 431 B10R2.7 C1=CC=C2NCCC2=C1 CS19084 [1,0,0,1,0,0|1,0,0]=3 432 B10R2.7 C1=CC=C2OC=CC2=C1 CS11169 [1,0,0,1,0,0|0,0,2]=4 433 B10R2.7 C1=CN=C2CCCC2=C1 CS14838 [1,0,0,1,0,0|2,0,0]=4 434 B10R2.7 C1=CN=C2CCNC2=C1 MC107728 [1,0,0,1,0,0|2,0,0]=4 435 B10R2.7 C1=CN=C2NCCC2=C1 CS21039 [1,0,0,1,0,0|2,0,0]=4 436 B10R2.7 C1=CN=C2OCOC2=C1 MC111188 [1,0,0,1,0,0|1,0,0]=3 437 B12R2.24 BrC1=CC2=C(C=C1)NCCO2 CS10787 [0,1,0,1,0,0|1,0,0]=3 438 B12R2.24 BrC1=CC2=C(C=C1)NCCO2 CS15185 [0,1,0,1,0,0|1,0,0]=3 439 B12R2.24 BrC1=CC2=C(C=C1)OCCN2 CS15468 [0,1,0,1,0,0|1,0,0]=3 440 B12R2.24 BrC1=CC2=C(C=C1)OCCO2 CS10776 [0,1,0,1,0,0|0,0,0]=2 441 B12R2.24 BrC1=CC2=C(N=C1)NCCO2 MC443542 [0,1,0,1,0,0|2,0,0]=4 442 B12R2.24 BrC1=CC=C2CCCCC2=C1 CS16753 [0,1,0,1,0,0|2,0,0]=4 443 B12R2.24 BrC1=CC=C2CCCNC2=C1 CS18621 [0,1,0,1,0,0|2,0,0]=4 444 B12R2.24 BrC1=CC=C2CCCOC2=C1 MC443258 [0,1,0,1,0,0|1,0,0]=3 445 B12R2.24 BrC1=CC=C2NCCCC2=C1 CS19737 [0,1,0,1,0,0|2,0,0]=4 446 B12R2.24 BrC1=CC=C2OCCCC2=C1 CS19916 [0,1,0,1,0,0|1,0,0]=3 447 B12R2.24 BrC1=NC2=C(C=C1)OCCN2 MC115915 [0,1,0,1,0,0|2,0,0]=4 448 B12R2.24 CC1=CC=C2CCCCC2=C1 CS10746 [0,1,0,1,0,0|2,0,0]=4 449 B12R2.24 CC1CNC2=CC=CC=C2C1 MC33343 [0,1,0,1,0,0|2,0,0]=4 450 B12R2.24 ClC1=CC2=C(C=C1)NCCO2 MC443200 [0,1,0,1,0,0|1,0,0]=3 451 B12R2.24 ClC1=CC2=C(C=C1)OCCN2 MC441073 [0,1,0,1,0,0|1,0,0]=3 452 B12R2.24 ClC1=CC2=C(N=N1)OCCO2 CS17021 [0,1,0,1,0,0|2,0,0]=4 453 B12R2.24 ClC1=CC=C2CCCNC2=C1 MC443569 [0,1,0,1,0,0|2,0,0]=4 454 B12R2.24 ClC1=CC=C2NCCCC2=C1 CS14585 [0,1,0,1,0,0|2,0,0]=4 455 B12R2.24 FC1=CC=C2NCCCC2=C1 MC441111 [0,1,0,1,0,0|2,0,0]=4 456 B12R2.24 IC1=CC=C2OCCCC2=C1 MC425133 [0,1,0,1,0,0|1,0,0]=3 457 B12R2.24 NC1=CC2=C(C=C1)NCCO2 MC442710 [0,1,0,1,0,0|1,0,0]=3 458 B12R2.24 NC1CCC2=CC=CC=C2C1 CS18799 [0,1,0,1,0,0|2,0,0]=4 459 B12R2.24 NC1CCC2=CC=CC=C2C1 MC106682 [0,1,0,1,0,0|2,0,0]=4 460 B12R2.24 NC1CCC2=CC=CC=C2C1 MC106683 [0,1,0,1,0,0|2,0,0]=4 461 B12R2.24 O=C1CCc2ccccc2O1 MC41795 [0,1,0,1,0,0|1,0,1]=4 462 B12R2.24 O=C1COC2=C(C=CC=C2)N1 CS21568 [0,1,0,1,0,0|0,0,2]=4 463 B12R2.24 OC1=CC2=C(C=C1)CCCC2 CS13514 [0,1,0,1,0,0|2,0,0]=4 464 B12R2.24 OC1=CC2=C(C=C1)NCCO2 MC442455 [0,1,0,1,0,0|1,0,0]=3 465 B12R2.24 OC1=CC2=C(C=C1)OCCO2 MC429083 [0,1,0,1,0,0|0,0,0]=2 466 B12R2.24 OC1=CC=C2CCCNC2=C1 CS10898 [0,1,0,1,0,0|2,0,0]=4 467 B12R2.24 OC1=CC=C2NCCCC2=C1 CS18990 [0,1,0,1,0,0|2,0,0]=4 468 B12R2.24 OC1=CN=C2OCCCC2=C1 MC116110 [0,1,0,1,0,0|2,0,0]=4 469 B12R2.79 NC1CC1C2=CC=C(Br)C=C2 MC111254 [0,1,0,1,0,0|2,0,0]=4 470 B12R2.132 NC1CCC2=CC=C(Br)C=C21 MC104166 [0,1,0,1,0,0|2,0,0]=4 471 B12R2.132 NC1CCC2=CC=C(Br)C=C21 MC105332 [0,1,0,1,0,0|2,0,0]=4 472 B12R2.132 NC1CCC2=CC=C(F)C=C21 MC431345 [0,1,0,1,0,0|2,0,0]=4 473 B12R2.132 NC1CCC2=CC=C(O)C=C21 MC104168 [0,1,0,1,0,0|2,0,0]=4 474 B12R2.132 NC1CCC2=CC=C(O)C=C21 MC105334 [0,1,0,1,0,0|2,0,0]=4 475 B12R2.132 NC1COC2=C1C=C(F)C=C2 MC431482 [0,1,0,1,0,0|1,0,0]=3 476 B12R2.132 O=C1COC2=C1C=C(Br)C=C2 CS18239 [0,1,0,1,0,0|0,0,2]=4 477 B12R2.132 O=C1COC2=C1C=C(Cl)C=C2 MC428126 [0,1,0,1,0,0|0,0,2]=4 478 B12R2.132 O=C1COC2=C1C=C(F)C=C2 MC113784 [0,1,0,1,0,0|0,0,2]=4 479 B12R2.132 O=C1COC2=C1C=C(I)C=C2 MC100482 [0,1,0,1,0,0|0,0,2]=4 480 B12R2.294 BrC1=CC=C(OC2CC2)C=C1 MC430493 [0,1,0,1,0,0|1,0,0]=3 481 B12R2.2 C1=CC=C(C2CCCN2)C=C1 CS11140 [0,1,0,1,0,0|2,0,0]=4 482 B12R2.2 C1=CC=C(C2CCCN2)C=C1 CS17953 [0,1,0,1,0,0|2,0,0]=4 483 B12R2.2 C1=CC=C(C2CCCN2)C=C1 MC105777 [0,1,0,1,0,0|2,0,0]=4 484 B12R2.2 C1=CC=C(C2CCNC2)C=C1 MC106676 [0,1,0,1,0,0|2,0,0]=4 485 B12R2.22 NC1CC(C2=CC=CC=C2)C1 MC103854 [0,1,0,1,0,0|2,0,0]=4 486 B12R2.22 NC1CC(C2=CC=CC=C2)C1 MC103855 [0,1,0,1,0,0|2,0,0]=4 487 B12R2.22 NC1CC(C2=CC=CC=C2)C1 MC105059 [0,1,0,1,0,0|2,0,0]=4 488 B12R2.116 NC1(C2=CC=CC=C2)CCC1 CS20790 [0,1,0,1,0,0|2,0,0]=4 489 B12R2.1081 BrC1=C2CCCNC2=CC=C1 CS18620 [0,1,0,1,0,0|2,0,0]=4 490 B12R2.1081 BrC1=C2CCCNC2=CC=C1 MC441076 [0,1,0,1,0,0|2,0,0]=4 491 B12R2.1081 CC1CCNC2=CC=CC=C21 CS17518 [0,1,0,1,0,0|2,0,0]=4 492 B12R2.1081 CC1CNCC2=CC=CC=C21 CS17240 [0,1,0,1,0,0|2,0,0]=4 493 B12R2.1081 CC1NCCC2=CC=CC=C21 CS12178 [0,1,0,1,0,0|2,0,0]=4 494 B12R2.1081 CC1NCCC2=CC=CC=C21 CS15270 [0,1,0,1,0,0|2,0,0]=4 495 B12R2.1081 CN1CCNC2=CC=CC=C21 CS19012 [0,1,0,1,0,0|2,0,0]=4 496 B12R2.1081 ClC1=C2CCCNC2=CC=C1 CS19411 [0,1,0,1,0,0|2,0,0]=4 497 B12R2.1081 ClC1=C2NCCCC2=CC=C1 MC441108 [0,1,0,1,0,0|2,0,0]=4 498 B12R2.1081 FC1=C2CCCNC2=CC=C1 MC100194 [0,1,0,1,0,0|2,0,0]=4 499 B12R2.1081 FC1=C2CCCNC2=CC=C1 MC430214 [0,1,0,1,0,0|2,0,0]=4 500 B12R2.1081 FC1=CC=CC2=C1NCCO2 MC443372 [0,1,0,1,0,0|1,0,0]=3 501 B12R2.1081 NC1=CC=CC2=C1NCCO2 MC111436 [0,1,0,1,0,0|1,0,0]=3 502 B12R2.1081 NC1=CC=CC2=C1OCCO2 MC430590 [0,1,0,1,0,0|0,0,0]=2 503 B12R2.1081 NC1CCCC2=CC=CC=C21 CS13980 [0,1,0,1,0,0|2,0,0]=4 504 B12R2.1081 NC1CCOC2=CC=CC=C21 CS18355 [0,1,0,1,0,0|1,0,0]=3 505 B12R2.1081 NC1COCC2=CC=CC=C21 MC100130 [0,1,0,1,0,0|1,0,0]=3 506 B12R2.1081 O=C1CCCC2=CC=CC=C12 CS14809 [0,1,0,1,0,0|1,0,1]=4 507 B12R2.1081 O=C1CCNC2=CC=CC=C12 CS15321 [0,1,0,1,0,0|1,0,1]=4 508 B12R2.1081 O=C1CCNC2=CC=CC=C12 MC441207 [0,1,0,1,0,0|1,0,1]=4 509 B12R2.1081 O=C1CCOC2=CC=CC=C12 CS22800 [0,1,0,1,0,0|0,0,1]=3 510 B12R2.1081 O=C1COCC2=C1C=CC=C2 MC41773 [0,1,0,1,0,0|0,0,2]=4 511 B12R2.1081 OC1=C2NCCCC2=CC=C1 CS19254 [0,1,0,1,0,0|2,0,0]=4 512 B12R2.1081 OC1=CC=CC2=C1OCCN2 MC441075 [0,1,0,1,0,0|1,0,0]=3 513 B12R2.1081 OC1=CC=CC2=C1OCCO2 CS12196 [0,1,0,1,0,0|0,0,0]=2 514 B12R2.1081 OC1CCCC2=C1N=CC=C2 CS18737 [0,1,0,1,0,0|2,0,0]=4 515 B12R2.1081 OC1CNCC2=CC=CC=C21 MC111757 [0,1,0,1,0,0|1,0,0]=3 516 B12R2.2028 O=C1CC(Br)C2=CC=CC=C12 CS22129 [0,1,0,1,0,0|2,0,0]=4 517 B12R2.32 BrCC1=NC2=C(C=CC=C2)O1 CS12836 [0,1,0,1,0,0|1,0,1]=4 518 B12R2.32 ClCC1=NC2=C(C=CC=C2)O1 MC442523 [0,1,0,1,0,0|1,0,1]=4 519 B12R2.32 NCC1=CC2=C(C=CC=C2)O1 MC111185 [0,1,0,1,0,0|1,0,1]=4 520 B12R2.32 OCC1=CC2=CC=CC=C2N1 CS20715 [0,1,0,1,0,0|1,0,1]=4 521 B12R2.32 OCC1=NC2=C(C=CC=C2)N1 MC10493 [0,1,0,1,0,0|1,0,1]=4 522 B12R2.32 OCC1CC2=C(C=CC=C2)O1 CS21037 [0,1,0,1,0,0|0,0,0]=2 523 B12R2.32 OCC1CC2=CC=CC=C2N1 MC105284 [0,1,0,1,0,0|1,0,0]=3 524 B12R2.196 NC1CCC2=C(Br)C=CC=C21 CS14533 [0,1,0,1,0,0|2,0,0]=4 525 B12R2.196 NC1CCC2=C(Br)C=CC=C21 CS14534 [0,1,0,1,0,0|2,0,0]=4 526 B12R2.196 NC1CCC2=C(F)C=CC=C21 CS18746 [0,1,0,1,0,0|2,0,0]=4 527 B12R2.196 O=C1COC2=C1C=CC=C2F MC113785 [0,1,0,1,0,0|0,0,2]=4 528 B12R2.196 O=C1COC2=C1C=CC=C2I MC114833 [0,1,0,1,0,0|0,0,2]=4 529 B12R2.196 OC1CCC2=C(Cl)C=CN=C21 CS12906 [0,1,0,1,0,0|2,0,0]=4 530 B12R2.203 O=C1COC2=C1C(F)=CC=C2 MC113791 [0,1,0,1,0,0|0,0,2]=4 531 B12R2.612 ClC1CCC2=CC(Br)=CC=C21 CS16081 [0,1,0,1,0,0|2,0,0]=4 532 B12R2.612 NC1CCC2=CC(F)=CC=C21 MC431475 [0,1,0,1,0,0|2,0,0]=4 533 B12R2.612 O=C1COC2=C1C=CC(Br)=C2 MC115907 [0,1,0,1,0,0|0,0,2]=4 534 B12R2.612 O=C1COC2=C1C=CC(Cl)=C2 CS15082 [0,1,0,1,0,0|0,0,2]=4 535 B12R2.612 O=C1COC2=C1C=CC(O)=C2 CS20793 [0,1,0,1,0,0|0,0,2]=4 536 B12R2.612 OC1=NOC2=C1C=CC(Cl)=C2 MC20600 [0,1,0,1,0,0|1,0,1]=4 537 B12R2.1286 BrC1=CC(OC2CC2)=NC=C1 MC442669 [0,1,0,1,0,0|2,0,0]=4 538 B12R2.1 CNC1CCC2=CC=CC=C21 MC431440 [0,1,0,1,0,0|2,0,0]=4 539 B12R2.1 N#CC1CCC2=CC=CC=C21 CS13197 [0,1,0,1,0,0|2,0,0]=4 540 B12R2.1 OCC1=CNC2=C1C=CC=C2 MC20402 [0,1,0,1,0,0|1,0,1]=4 541 B12R2.1 OCC1=NNC2=CC=CC=C21 MC444218 [0,1,0,1,0,0|1,0,1]=4 542 B12R2.1 OCN1C=NC2=C1C=CC=C2 MC33419 [0,1,0,1,0,0|1,0,1]=4 543 B12R2.23 O=C1CCC1C2=CC=CC=C2 MC104226 [0,1,0,1,0,0|1,0,1]=4 544 B12R2.18 NC1C2=CC=CC=C2CC1O CS13576 [0,1,0,1,0,0|2,0,0]=4 545 B12R2.18 NC1C2=CC=CC=C2CC1O MC20312 [0,1,0,1,0,0|2,0,0]=4 546 B12R2.18 NC1CC2=CC=CC=C2C1O MC446701 [0,1,0,1,0,0|1,0,0]=3 547 B12R2.94 ClC1(SC2=CC=CC=C2)CC1 MC121263 [0,1,0,1,0,0|1,1,0]=4 548 B12R2.2403 FC1(F)CNC2=CC=CC=C21 MC429867 [0,1,0,1,0,0|2,0,0]=4 549 B8R1.8 NCCC1=CSC=C1 CS22098 [1,0,0,0,1,0|2,0,0]=4 550 B8R1.8 OCCC1=CC=CS1 CS14939 [1,0,0,0,1,0|1,0,0]=3 551 B8R1.8 OCCC1=CNC=N1 CS18186 [1,0,0,0,1,0|2,0,0]=4 552 B8R1.8 OCCC1=CNN=C1 CS18073 [1,0,0,0,1,0|2,0,0]=4 553 B8R1.8 OCCC1=CSC=C1 CS20858 [1,0,0,0,1,0|1,0,0]=3 554 B8R1.8 OCCC1=NC=CN1 MC431716 [1,0,0,0,1,0|2,0,0]=4 555 B8R1.8 OCCN1C=CN=C1 CS18191 [1,0,0,0,1,0|2,0,0]=4