0 B10R1.15 C#CC(O)C1=CC=NC=C1 CS16716 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.15 C=C(C#N)C1=CC=CC=C1 MC106124 [0,0,0,0,0,0|0,0,4]=4 2 B10R1.15 C=C(CBr)C1=CC=CC=C1 CS20091 [0,0,0,0,0,0|1,0,2]=3 3 B10R1.15 C=CC(N)C1=CC=CC=C1 MC102512 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.15 CC(CN)C1=CC=CC=C1 CS10909 [0,0,0,0,0,0|0,0,0]=0 5 B10R1.15 CC(CN)c1ccccc1 MC110750 [0,0,0,0,0,0|0,0,0]=0 6 B10R1.15 CC(NO)c1ccccc1 MC103844 [0,0,0,0,0,0|2,0,0]=2 7 B10R1.15 CC(NO)c1ccccc1 MC103845 [0,0,0,0,0,0|2,0,0]=2 8 B10R1.15 CCC(C)C1=CC=CC=C1 CS11947 [0,0,0,0,0,0|1,0,0]=1 9 B10R1.15 CCC(C)C1=CC=CC=C1 MC433489 [0,0,0,0,0,0|1,0,0]=1 10 B10R1.15 CCC(N)C1=CC=CC=C1 MC20337 [0,0,0,0,0,0|2,0,0]=2 11 B10R1.15 CCC(N)C1=NC=CN=C1 MC104764 [0,0,0,0,0,0|4,0,0]=4 12 B10R1.15 CN(C=O)C1=CC=CC=C1 CS11793 [0,0,0,0,0,0|2,0,1]=3 13 B10R1.15 COC(=O)C1=CC=CC=C1 MC40065 [0,0,0,0,0,0|3,0,1]=4 14 B10R1.15 C\C(=C\Br)C1=CC=NC=C1 MC111870 [0,0,0,0,0,0|2,0,2]=4 15 B10R1.15 FC(CBr)C1=CC=CC=C1 MC102769 [0,0,0,0,0,0|2,0,0]=2 16 B10R1.15 N#CC(N)C1=CC=CC=C1 MC31161 [0,0,0,0,0,0|1,0,2]=3 17 B10R1.15 NC(CO)C1=CC=CC=C1 CS10553 [0,0,0,0,0,0|2,0,0]=2 18 B10R1.15 NC(CO)C1=CC=CC=C1 CS10555 [0,0,0,0,0,0|2,0,0]=2 19 B10R1.15 NC(CO)C1=CC=CC=C1 CS15860 [0,0,0,0,0,0|2,0,0]=2 20 B10R1.15 NC(CO)C1=NC=CC=C1 MC111155 [0,0,0,0,0,0|3,0,0]=3 21 B10R1.15 NCC(=O)C1=CC=CC=C1 CS10874 [0,0,0,0,0,0|1,0,1]=2 22 B10R1.15 NCC(=O)C1=NC=CC=C1 MC33498 [0,0,0,0,0,0|2,0,1]=3 23 B10R1.15 NCC(O)C1=CC=CC=C1 CS20485 [0,0,0,0,0,0|1,0,0]=1 24 B10R1.15 NCC(O)C1=CC=CC=C1 MC444625 [0,0,0,0,0,0|1,0,0]=1 25 B10R1.15 NCC(O)C1=CC=CN=C1 MC103058 [0,0,0,0,0,0|2,0,0]=2 26 B10R1.15 NCC(O)C1=NC=CC=C1 MC33503 [0,0,0,0,0,0|2,0,0]=2 27 B10R1.15 NNC(=O)C1=CC=CC=C1 CS10971 [0,0,0,0,0,0|2,0,1]=3 28 B10R1.15 NNC(=O)C1=CN=CC=C1 CS19488 [0,0,0,0,0,0|3,0,1]=4 29 B10R1.15 NNC(=O)c1ccncc1 MC445177 [0,0,0,0,0,0|3,0,1]=4 30 B10R1.15 O=C(CBr)C1=CC=CC=C1 CS19274 [0,0,0,0,0,0|2,0,1]=3 31 B10R1.15 O=C(CBr)C1=CC=CN=C1 MC42216 [0,0,0,0,0,0|3,0,1]=4 32 B10R1.15 O=C(CBr)C1=CC=NC=C1 CS20175 [0,0,0,0,0,0|3,0,1]=4 33 B10R1.15 O=C(CCl)C1=CC=CC=C1 MC20159 [0,0,0,0,0,0|2,0,1]=3 34 B10R1.15 O=C(CI)C1=CC=CC=C1 MC433244 [0,0,0,0,0,0|2,0,1]=3 35 B10R1.15 OC(CBr)C1=CC=CC=C1 CS18840 [0,0,0,0,0,0|2,0,0]=2 36 B10R1.15 OC(CCl)C1=CC=CN=C1 MC103059 [0,0,0,0,0,0|3,0,0]=3 37 B10R1.15 OCC(F)C1=CC=CC=C1 MC430923 [0,0,0,0,0,0|2,0,0]=2 38 B9R1.6 C=C(C)C1=CC=NC=C1 MC111872 [1,0,0,0,0,0|1,0,2]=4 39 B9R1.6 C=C(F)C1=CC=CC=C1 MC102770 [1,0,0,0,0,0|1,0,2]=4 40 B9R1.6 CC(=O)C1=CC=CC=C1 MC41221 [1,0,0,0,0,0|1,0,1]=3 41 B9R1.6 CC(=O)C1=CC=CN=C1 CS18256 [1,0,0,0,0,0|2,0,1]=4 42 B9R1.6 CC(=O)C1=CC=NC=C1 CS22535 [1,0,0,0,0,0|2,0,1]=4 43 B9R1.6 CC(=O)C1=NC=CC=C1 CS18611 [1,0,0,0,0,0|2,0,1]=4 44 B9R1.6 CC(Br)C1=CC=CC=C1 MC40570 [1,0,0,0,0,0|1,0,0]=2 45 B9R1.6 CC(C)C1=NC=CC=C1 CS21621 [1,0,0,0,0,0|1,0,0]=2 46 B9R1.6 CC(N)C1=CC=CC=C1 CS10551 [1,0,0,0,0,0|0,0,0]=1 47 B9R1.6 CC(N)C1=CC=CC=C1 MC20344 [1,0,0,0,0,0|0,0,0]=1 48 B9R1.6 CC(N)C1=CN=CN=C1 MC102354 [1,0,0,0,0,0|2,0,0]=3 49 B9R1.6 CC(N)C1=CN=CN=C1 MC104062 [1,0,0,0,0,0|2,0,0]=3 50 B9R1.6 CC(N)C1=CN=CN=C1 MC105298 [1,0,0,0,0,0|2,0,0]=3 51 B9R1.6 CC(N)C1=CN=NC=C1 MC103837 [1,0,0,0,0,0|2,0,0]=3 52 B9R1.6 CC(N)C1=NC=CC=C1 CS15370 [1,0,0,0,0,0|1,0,0]=2 53 B9R1.6 CC(N)C1=NC=CC=C1 CS20271 [1,0,0,0,0,0|1,0,0]=2 54 B9R1.6 CC(N)C1=NC=CC=N1 MC431305 [1,0,0,0,0,0|2,0,0]=3 55 B9R1.6 CC(N)C1=NC=CN=C1 CS12997 [1,0,0,0,0,0|2,0,0]=3 56 B9R1.6 CC(N)C1=NC=NC=C1 MC103926 [1,0,0,0,0,0|2,0,0]=3 57 B9R1.6 CC(O)C1=CC=CC=C1 MC20383 [1,0,0,0,0,0|1,0,0]=2 58 B9R1.6 CC(O)C1=NC=CC=C1 CS20801 [1,0,0,0,0,0|2,0,0]=3 59 B9R1.6 CC(O)C1=NC=CC=C1 MC20310 [1,0,0,0,0,0|2,0,0]=3 60 B9R1.6 CN(C)C1=CC=CC=C1 MC40906 [1,0,0,0,0,0|1,0,0]=2 61 B9R1.6 CN(C)C1=CC=NC=C1 CS13386 [1,0,0,0,0,0|2,0,0]=3 62 B9R1.6 CN(C)C1=CN=CN=C1 MC442270 [1,0,0,0,0,0|3,0,0]=4 63 B9R1.6 C[PH](=O)C1=CC=CC=C1 CS16386 [1,0,0,0,0,0|2,0,0]=3 64 B9R1.6 ClC(Cl)C1=CC=CC=C1 MC40608 [1,0,0,0,0,0|2,0,0]=3 65 B9R1.6 FC(F)C1=CC=CC=C1 MC41442 [1,0,0,0,0,0|2,0,0]=3 66 B9R1.6 FC(F)C1=CC=CN=C1 MC429164 [1,0,0,0,0,0|3,0,0]=4 67 B9R1.6 FC(F)C1=CC=NC=C1 MC429159 [1,0,0,0,0,0|3,0,0]=4 68 B9R1.6 FC(F)C1=NC=CC=C1 MC429160 [1,0,0,0,0,0|3,0,0]=4 69 B9R1.6 N=C(N)C1=CC=CC=C1 CS14830 [1,0,0,0,0,0|1,0,1]=3 70 B9R1.6 N=C(N)C1=CN=CC=C1 CS19487 [1,0,0,0,0,0|2,0,1]=4 71 B9R1.6 N=C(N)C1=NC=CC=C1 CS19100 [1,0,0,0,0,0|2,0,1]=4 72 B9R1.6 NC(=O)C1=CC=CC=C1 CS10962 [1,0,0,0,0,0|1,0,1]=3 73 B9R1.6 NC(=O)C1=CC=NC=C1 CS13721 [1,0,0,0,0,0|2,0,1]=4 74 B9R1.6 NC(=O)C1=NC=CC=C1 CS11910 [1,0,0,0,0,0|2,0,1]=4 75 B9R1.6 NC(=S)C1=CC=CC=C1 MC20863 [1,0,0,0,0,0|1,0,1]=3 76 B9R1.6 O=C(Cl)C1=CC=CC=C1 MC40435 [1,0,0,0,0,0|2,0,1]=4 77 B9R1.6 O=C(O)C1=CC=CC=C1 MC40233 [1,0,0,0,0,0|2,0,1]=4 78 B9R1.6 O=[N+]([O-])C1=CC=CC=C1 MC41586 [1,0,0,0,0,0|3,0,0]=4 79 B9R1.6 OB(O)C1=CC=CC=C1 CS19450 [1,0,0,0,0,0|3,0,0]=4 80 B9R1.8 BrCCC1=CC=CC=C1 MC40571 [1,0,0,0,0,0|1,0,0]=2 81 B9R1.8 Br[Zn]Cc1ccccc1 MC121333 [1,0,0,0,0,0|2,0,0]=3 82 B9R1.8 CCCC1=CC=CN=C1 CS22402 [1,0,0,0,0,0|2,0,0]=3 83 B9R1.8 CCNC1=CC=CC=C1 MC40913 [1,0,0,0,0,0|2,0,0]=3 84 B9R1.8 CCOC1=NC=CC=C1 CS18732 [1,0,0,0,0,0|3,0,0]=4 85 B9R1.8 CNCC1=CC=CC=C1 MC10559 [1,0,0,0,0,0|2,0,0]=3 86 B9R1.8 CNCC1=CC=CC=C1 MC20323 [1,0,0,0,0,0|2,0,0]=3 87 B9R1.8 CNCC1=CC=CC=C1 MC21006 [1,0,0,0,0,0|2,0,0]=3 88 B9R1.8 CNCC1=CC=CN=C1 CS18846 [1,0,0,0,0,0|3,0,0]=4 89 B9R1.8 COCC1=NC=CC=C1 CS20909 [1,0,0,0,0,0|3,0,0]=4 90 B9R1.8 ClCCC1=CC=CC=C1 MC40609 [1,0,0,0,0,0|1,0,0]=2 91 B9R1.8 ClCCC1=CC=NC=C1 CS17913 [1,0,0,0,0,0|2,0,0]=3 92 B9R1.8 FCCC1=CC=CC=C1 MC41557 [1,0,0,0,0,0|1,0,0]=2 93 B9R1.8 N#CCC1=CC=CN=C1 CS18407 [1,0,0,0,0,0|1,0,2]=4 94 B9R1.8 N#CCC1=CC=NC=C1 CS20239 [1,0,0,0,0,0|1,0,2]=4 95 B9R1.8 N#CCC1=NC=CC=C1 CS18926 [1,0,0,0,0,0|1,0,2]=4 96 B9R1.8 NCCC1=CC=CC=C1 MC40983 [1,0,0,0,0,0|0,0,0]=1 97 B9R1.8 NCCC1=CC=CN=C1 CS21892 [1,0,0,0,0,0|1,0,0]=2 98 B9R1.8 NCCC1=NC=CC=C1 CS14064 [1,0,0,0,0,0|1,0,0]=2 99 B9R1.8 NCCC1=NC=NC=C1 MC104796 [1,0,0,0,0,0|2,0,0]=3 100 B9R1.8 NNCC1=CC=CC=C1 CS11006 [1,0,0,0,0,0|1,0,0]=2 101 B9R1.8 NNCC1=CC=CC=C1 CS12127 [1,0,0,0,0,0|1,0,0]=2 102 B9R1.8 NNCC1=CC=CN=C1 MC111189 [1,0,0,0,0,0|2,0,0]=3 103 B9R1.8 NNCC1=CC=CN=C1 MC111240 [1,0,0,0,0,0|2,0,0]=3 104 B9R1.8 NNCC1=CC=CN=N1 MC104509 [1,0,0,0,0,0|3,0,0]=4 105 B9R1.8 NNCC1=CC=NC=C1 MC111241 [1,0,0,0,0,0|2,0,0]=3 106 B9R1.8 NNCC1=CN=CN=C1 MC112988 [1,0,0,0,0,0|3,0,0]=4 107 B9R1.8 NNCC1=CN=NC=C1 MC103925 [1,0,0,0,0,0|3,0,0]=4 108 B9R1.8 NNCC1=NC=CC=C1 MC111239 [1,0,0,0,0,0|2,0,0]=3 109 B9R1.8 NNCC1=NC=CC=N1 MC102372 [1,0,0,0,0,0|3,0,0]=4 110 B9R1.8 NNCC1=NC=CN=C1 MC105289 [1,0,0,0,0,0|3,0,0]=4 111 B9R1.8 NOCC1=CC=CC=C1 CS14063 [1,0,0,0,0,0|1,0,0]=2 112 B9R1.8 O=C=NC1=CC=CC=C1 MC41051 [1,0,0,0,0,0|2,0,1]=4 113 B9R1.8 O=CCC1=CC=CN=C1 MC106360 [1,0,0,0,0,0|2,0,1]=4 114 B9R1.8 O=CCC1=CC=NC=C1 MC106357 [1,0,0,0,0,0|2,0,1]=4 115 B9R1.8 O=CNC1=CC=CC=C1 MC40924 [1,0,0,0,0,0|2,0,1]=4 116 B9R1.8 O=COC1=CC=CC=C1 MC40136 [1,0,0,0,0,0|2,0,1]=4 117 B9R1.8 OCCC1=CC=CC=C1 MC40745 [1,0,0,0,0,0|1,0,0]=2 118 B9R1.8 OCCC1=CN=CN=C1 CS12401 [1,0,0,0,0,0|3,0,0]=4 119 B9R1.8 ONCC1=CC=CC=C1 CS11753 [1,0,0,0,0,0|2,0,0]=3 120 B11R1.7 C#CC(C)(O)C1=CC=CC=C1 MC425780 [0,1,0,0,0,0|1,0,1]=3 121 B11R1.7 CC(Br)(CBr)C1=CC=NC=C1 MC111871 [0,1,0,0,0,0|2,0,0]=3 122 B11R1.7 FC(F)(CBr)C1=CC=CC=C1 MC106429 [0,1,0,0,0,0|2,0,0]=3 123 B11R1.7 NCC(F)(F)C1=NC=CC=C1 MC104009 [0,1,0,0,0,0|2,0,0]=3 124 B11R1.7 OCC(F)(F)C1=CC=CC=C1 MC430789 [0,1,0,0,0,0|2,0,0]=3 125 B11R1.12 CCB(CC)C1=CC=CN=C1 MC10329 [0,1,0,0,0,0|3,0,0]=4 126 B11R1.12 CCP(CC)c1ccccc1 MC444851 [0,1,0,0,0,0|2,0,0]=3 127 B11R1.12 CNC(CO)C1=CC=CC=C1 CS17955 [0,1,0,0,0,0|1,0,0]=2 128 B11R1.12 COC(OC)c1ccccc1 CS10959 [0,1,0,0,0,0|2,0,0]=3 129 B11R1.12 COP(OC)C1=CC=CC=C1 MC444856 [0,1,0,0,0,0|3,0,0]=4 130 B11R1.12 NCC(CO)C1=CC=CC=C1 MC105854 [0,1,0,0,0,0|0,0,0]=1 131 B11R1.12 NCC(CO)C1=CC=CC=C1 MC105855 [0,1,0,0,0,0|0,0,0]=1 132 B11R1.12 OCC(CO)C1=CC=CC=C1 CS21198 [0,1,0,0,0,0|1,0,0]=2 133 B11R1.16 CC(N=C=O)C1=CC=CC=C1 MC20438 [0,1,0,0,0,0|1,0,1]=3 134 B11R1.16 CN(CCN)C1=CC=CC=C1 CS11704 [0,1,0,0,0,0|1,0,0]=2 135 B11R1.16 CNCC(C)C1=CC=CC=C1 MC446681 [0,1,0,0,0,0|0,0,0]=1 136 B11R1.16 CNCC(O)C1=CC=CC=C1 MC446674 [0,1,0,0,0,0|1,0,0]=2 137 B11R1.16 N#CCC(=O)C1=CC=CC=C1 CS10995 [0,1,0,0,0,0|1,0,2]=4 138 B11R1.16 NC(CCO)C1=CC=CC=C1 CS18735 [0,1,0,0,0,0|2,0,0]=3 139 B11R1.16 NC(CCO)C1=CC=CC=C1 CS21217 [0,1,0,0,0,0|2,0,0]=3 140 B11R1.16 O=C(CCCl)C1=CC=CC=C1 MC41279 [0,1,0,0,0,0|2,0,1]=4 141 B11R1.16 OC(CCCl)C1=CC=CC=C1 CS10897 [0,1,0,0,0,0|2,0,0]=3 142 B11R1.16 OC(CCCl)C1=CC=CC=C1 CS22197 [0,1,0,0,0,0|2,0,0]=3 143 B11R1.16 OC(CCCl)C1=CC=CC=C1 MC20313 [0,1,0,0,0,0|2,0,0]=3 144 B11R1.22 CC(C#N)C1=CC=C(Br)C=C1 MC427374 [0,1,0,0,0,0|0,0,2]=3 145 B11R1.22 CC(CN)C1=CC=C(Br)C=C1 MC103018 [0,1,0,0,0,0|0,0,0]=1 146 B11R1.22 CC(CN)C1=CC=C(Br)C=C1 MC427281 [0,1,0,0,0,0|0,0,0]=1 147 B11R1.22 CC(CN)C1=CC=C(O)C=C1 MC116255 [0,1,0,0,0,0|0,0,0]=1 148 B11R1.22 CC(NN)C1=CC=C(Cl)C=C1 MC110625 [0,1,0,0,0,0|1,0,0]=2 149 B11R1.22 CCC(=O)C1=CC=C(Br)C=C1 CS22698 [0,1,0,0,0,0|2,0,1]=4 150 B11R1.22 CCC(=O)C1=CC=C(Cl)C=C1 CS22795 [0,1,0,0,0,0|2,0,1]=4 151 B11R1.22 CCC(=O)C1=CC=C(F)C=C1 CS22846 [0,1,0,0,0,0|2,0,1]=4 152 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 CS15690 [0,1,0,0,0,0|2,0,1]=4 153 B11R1.22 CCC(C)C1=CC=C(Br)C=C1 CS18281 [0,1,0,0,0,0|1,0,0]=2 154 B11R1.22 FC1=CC=C(C(Br)CBr)C=C1 MC430994 [0,1,0,0,0,0|2,0,0]=3 155 B11R1.22 NC(CO)C1=NC=C(F)C=C1 MC114776 [0,1,0,0,0,0|3,0,0]=4 156 B11R1.22 NCC(=O)C1=CC=C(Br)C=C1 CS10839 [0,1,0,0,0,0|1,0,1]=3 157 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 CS20894 [0,1,0,0,0,0|1,0,1]=3 158 B11R1.22 NCC(O)C1=CC=C(Cl)C=C1 MC431262 [0,1,0,0,0,0|1,0,0]=2 159 B11R1.22 NNC(=O)C1=CC=C(Br)C=C1 MC33165 [0,1,0,0,0,0|2,0,1]=4 160 B11R1.22 NNC(=O)C1=CC=C(Cl)C=C1 MC20179 [0,1,0,0,0,0|2,0,1]=4 161 B11R1.22 NNC(=O)C1=CC=C(F)C=C1 MC41002 [0,1,0,0,0,0|2,0,1]=4 162 B11R1.22 NNC(=O)C1=CC=C(I)C=C1 MC41004 [0,1,0,0,0,0|2,0,1]=4 163 B11R1.22 NNC(=O)C1=CC=C(O)C=C1 MC41003 [0,1,0,0,0,0|2,0,1]=4 164 B11R1.22 O=C(CBr)C1=CC=C(Br)C=C1 CS19445 [0,1,0,0,0,0|2,0,1]=4 165 B11R1.22 O=C(CBr)C1=CC=C(Cl)C=C1 MC433210 [0,1,0,0,0,0|2,0,1]=4 166 B11R1.22 O=C(CBr)C1=CC=C(F)C=C1 CS20678 [0,1,0,0,0,0|2,0,1]=4 167 B11R1.22 O=C(CBr)C1=CC=C(O)C=C1 CS10771 [0,1,0,0,0,0|2,0,1]=4 168 B11R1.22 O=C(CCl)C1=CC=C(Br)C=C1 CS14324 [0,1,0,0,0,0|2,0,1]=4 169 B11R1.22 O=C(CCl)C1=CC=C(F)C=C1 MC41236 [0,1,0,0,0,0|2,0,1]=4 170 B11R1.22 OCC(O)C1=CC=C(Br)C=C1 MC442284 [0,1,0,0,0,0|2,0,0]=3 171 B11R1.23 CCC(=O)C1=CC(Br)=CC=C1 MC41278 [0,1,0,0,0,0|2,0,1]=4 172 B11R1.23 CCC(=O)C1=CC(Cl)=CC=C1 MC41280 [0,1,0,0,0,0|2,0,1]=4 173 B11R1.23 CCC(=O)C1=CC(F)=CC=C1 MC41284 [0,1,0,0,0,0|2,0,1]=4 174 B11R1.23 CCC(=O)C1=CC(N)=CC=C1 MC433258 [0,1,0,0,0,0|2,0,1]=4 175 B11R1.23 CCC(N)C1=CC(Br)=CN=C1 MC112156 [0,1,0,0,0,0|3,0,0]=4 176 B11R1.23 NC(CO)C1=CC(I)=CC=C1 MC103511 [0,1,0,0,0,0|2,0,0]=3 177 B11R1.23 NCC(O)C1=CC(Br)=CC=C1 MC111476 [0,1,0,0,0,0|1,0,0]=2 178 B11R1.23 NNC(=O)C1=CC(F)=CC=C1 MC429588 [0,1,0,0,0,0|2,0,1]=4 179 B11R1.23 O=C(CBr)C1=CC(Br)=CC=C1 MC41245 [0,1,0,0,0,0|2,0,1]=4 180 B11R1.23 O=C(CBr)C1=CC(Cl)=CC=C1 CS19056 [0,1,0,0,0,0|2,0,1]=4 181 B11R1.23 O=C(CBr)C1=CC(F)=CC=C1 CS15383 [0,1,0,0,0,0|2,0,1]=4 182 B11R1.23 O=C(CBr)C1=CC(O)=CC=C1 MC433217 [0,1,0,0,0,0|2,0,1]=4 183 B11R1.23 O=C(CCl)C1=CC(Cl)=CC=C1 MC20163 [0,1,0,0,0,0|2,0,1]=4 184 B11R1.23 OC(CBr)C1=CC(Br)=CC=C1 MC111475 [0,1,0,0,0,0|2,0,0]=3 185 B11R1.36 CC(Br)C(=O)C1=CC=CC=C1 MC443670 [0,1,0,0,0,0|2,0,1]=4 186 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 CS10890 [0,1,0,0,0,0|1,0,1]=3 187 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 CS14544 [0,1,0,0,0,0|1,0,1]=3 188 B11R1.36 CN(C(N)=S)C1=CC=CC=C1 MC427369 [0,1,0,0,0,0|1,0,1]=3 189 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 CS15488 [0,1,0,0,0,0|1,0,1]=3 190 B11R1.36 NC(=O)C(N)c1ccccc1 MC438104 [0,1,0,0,0,0|1,0,1]=3 191 B11R1.36 NC(C(=O)Cl)C1=CC=CC=C1 CS15858 [0,1,0,0,0,0|2,0,1]=4 192 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 CS11192 [0,1,0,0,0,0|2,0,1]=4 193 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 CS14083 [0,1,0,0,0,0|2,0,1]=4 194 B11R1.36 NC(C(=O)O)c1ccccc1 MC438102 [0,1,0,0,0,0|2,0,1]=4 195 B11R1.36 NC(C(=O)O)c1ccccc1 MC438103 [0,1,0,0,0,0|2,0,1]=4 196 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 CS10861 [0,1,0,0,0,0|2,0,1]=4 197 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 CS10862 [0,1,0,0,0,0|2,0,1]=4 198 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 CS15279 [0,1,0,0,0,0|2,0,1]=4 199 B11R1.222 CC(CO)C1=C(Cl)C=CC=C1 MC111290 [0,1,0,0,0,0|1,0,0]=2 200 B11R1.222 CCC(=O)C1=C(Cl)C=CC=C1 CS15813 [0,1,0,0,0,0|2,0,1]=4 201 B11R1.222 CCC(=O)C1=C(N)C=CC=C1 MC430440 [0,1,0,0,0,0|2,0,1]=4 202 B11R1.222 CCC(C)C1=C(N)C=CC=C1 CS21765 [0,1,0,0,0,0|1,0,0]=2 203 B11R1.222 CCC(N)C1=C(C)C=CC=C1 CS14530 [0,1,0,0,0,0|2,0,0]=3 204 B11R1.222 NCC(=O)C1=C(F)C=CC=C1 CS15388 [0,1,0,0,0,0|1,0,1]=3 205 B11R1.222 NCC(O)C1=C(F)C=CC=C1 MC431432 [0,1,0,0,0,0|1,0,0]=2 206 B11R1.222 NCC(O)C1=C(I)C=CC=C1 CS17962 [0,1,0,0,0,0|1,0,0]=2 207 B11R1.222 NNC(=O)C1=C(F)C=CC=C1 MC429401 [0,1,0,0,0,0|2,0,1]=4 208 B11R1.222 O=C(CBr)C1=C(Cl)C=CC=C1 CS14555 [0,1,0,0,0,0|2,0,1]=4 209 B11R1.222 O=C(CBr)C1=C(O)C=CC=C1 MC41230 [0,1,0,0,0,0|2,0,1]=4 210 B11R2.1 BrC1=NNC2=CC=CC=C21 MC442207 [0,0,0,1,0,0|2,0,1]=4 211 B11R2.1 CC1=CCC2=CC=CC=C12 MC106180 [0,0,0,1,0,0|1,0,2]=4 212 B11R2.1 CC1=CNC2=C1C=NC=C2 MC443768 [0,0,0,1,0,0|1,0,2]=4 213 B11R2.1 CC1=CNC2=CC=CC=C12 CS11030 [0,0,0,1,0,0|0,0,2]=3 214 B11R2.1 CC1=CNC2=NC=CC=C12 CS22368 [0,0,0,1,0,0|1,0,2]=4 215 B11R2.1 CC1=COC2=C1C=CC=C2 MC30270 [0,0,0,1,0,0|1,0,2]=4 216 B11R2.1 CC1=NNC2=C1C=NC=C2 MC441394 [0,0,0,1,0,0|2,0,1]=4 217 B11R2.1 CC1=NNC2=CC=CC=C21 CS17372 [0,0,0,1,0,0|1,0,1]=3 218 B11R2.1 CC1=NNC2=CC=CN=C21 MC442333 [0,0,0,1,0,0|2,0,1]=4 219 B11R2.1 CC1=NNC2=CN=CC=C21 CS15158 [0,0,0,1,0,0|2,0,1]=4 220 B11R2.1 CC1=NNC2=NC=CC=C12 CS20725 [0,0,0,1,0,0|2,0,1]=4 221 B11R2.1 CC1=NOC2=C1C=CC=C2 CS22352 [0,0,0,1,0,0|2,0,1]=4 222 B11R2.1 CN1C=CC2=CC=CC=C21 CS11026 [0,0,0,1,0,0|2,0,1]=4 223 B11R2.1 ClC1=CNC2=CC=CC=C12 MC427199 [0,0,0,1,0,0|1,0,2]=4 224 B11R2.1 NC1=NNC2=CC=CC=C21 CS20708 [0,0,0,1,0,0|2,0,1]=4 225 B11R2.1 NC1CCC2=CC=CC=C21 CS16005 [0,0,0,1,0,0|2,0,0]=3 226 B11R2.1 NC1CCC2=CC=CC=C21 CS19275 [0,0,0,1,0,0|2,0,0]=3 227 B11R2.1 NC1CCC2=CC=CC=C21 CS19803 [0,0,0,1,0,0|2,0,0]=3 228 B11R2.1 NC1CCC2=CC=CC=C21 CS20307 [0,0,0,1,0,0|2,0,0]=3 229 B11R2.1 NC1CCC2=CC=CC=C21 MC425841 [0,0,0,1,0,0|2,0,0]=3 230 B11R2.1 NC1COC2=NC=CC=C21 MC443539 [0,0,0,1,0,0|3,0,0]=4 231 B11R2.1 O=C1CCC2=CC=CC=C12 CS18668 [0,0,0,1,0,0|2,0,1]=4 232 B11R2.1 O=C1COC2=C1C=CC=C2 CS20787 [0,0,0,1,0,0|2,0,1]=4 233 B11R2.1 O=C1CSC2=C1C=CC=C2 CS20606 [0,0,0,1,0,0|2,0,1]=4 234 B11R2.1 O=C1NNC2=CC=CC=C12 MC441212 [0,0,0,1,0,0|2,0,1]=4 235 B11R2.1 OC1CCC2=CC=CN=C21 CS10573 [0,0,0,1,0,0|3,0,0]=4 236 B11R2.4 NC1CC1C2=CC=CC=C2 MC100890 [0,0,0,1,0,0|0,0,0]=1 237 B11R2.4 NC1CC1C2=CC=CC=C2 MC106461 [0,0,0,1,0,0|0,0,0]=1 238 B11R2.40 BrC1(C2=NC=CC=C2)CC1 MC431657 [0,0,0,1,0,0|3,0,0]=4 239 B11R2.40 NC1(C2=CC=CC=C2)CC1 MC425296 [0,0,0,1,0,0|2,0,0]=3 240 B11R2.40 NC1(C2=NC=CC=C2)CC1 MC115574 [0,0,0,1,0,0|3,0,0]=4 241 B11R2.239 C1=CC(C2CNC2)=NC=N1 MC116097 [0,0,0,1,0,0|2,0,0]=3 242 B11R1.40 C#CC(O)CC1=CC=CC=C1 MC425691 [0,0,0,0,0,1|2,0,1]=4 243 B11R1.40 CC(C#N)NC1=CC=CC=C1 MC428132 [0,0,0,0,0,1|0,0,2]=3 244 B11R1.40 CCC(=O)CC1=CC=CC=C1 MC41289 [0,0,0,0,0,1|2,0,1]=4 245 B11R1.40 NC(CO)CC1=CC=CC=C1 CS21216 [0,0,0,0,0,1|2,0,0]=3 246 B11R1.40 NC(CO)CC1=CC=CC=C1 MC425862 [0,0,0,0,0,1|2,0,0]=3 247 B11R1.40 O=C(CO)CC1=CC=CC=C1 MC107738 [0,0,0,0,0,1|2,0,1]=4 248 B8R1.2 BrCC1=CC=NC=C1 CS22459 [2,0,0,0,0,0|2,0,0]=4 249 B8R1.2 BrCC1=CC=NC=C1 MC111773 [2,0,0,0,0,0|2,0,0]=4 250 B8R1.2 C#CC1=CC=CC=C1 CS19127 [2,0,0,0,0,0|0,0,2]=4 251 B8R1.2 CCC1=CC=CC=C1 MC41556 [2,0,0,0,0,0|0,0,0]=2 252 B8R1.2 CCC1=CC=CN=C1 CS22277 [2,0,0,0,0,0|1,0,0]=3 253 B8R1.2 CCC1=NC=CN=C1 CS21534 [2,0,0,0,0,0|2,0,0]=4 254 B8R1.2 CNC1=CC=CC=C1 CS11792 [2,0,0,0,0,0|1,0,0]=3 255 B8R1.2 CNC1=CC=CN=C1 CS13856 [2,0,0,0,0,0|2,0,0]=4 256 B8R1.2 CNC1=CC=NC=C1 MC41620 [2,0,0,0,0,0|2,0,0]=4 257 B8R1.2 COC1=CC=CC=C1 MC41309 [2,0,0,0,0,0|1,0,0]=3 258 B8R1.2 COC1=CC=CN=C1 CS22348 [2,0,0,0,0,0|2,0,0]=4 259 B8R1.2 COC1=CC=NC=C1 CS19206 [2,0,0,0,0,0|2,0,0]=4 260 B8R1.2 COC1=NC=CC=C1 CS18780 [2,0,0,0,0,0|2,0,0]=4 261 B8R1.2 CSC1=CC=CC=C1 MC439137 [2,0,0,0,0,0|1,0,0]=3 262 B8R1.2 CSC1=NC=CC=C1 MC41628 [2,0,0,0,0,0|2,0,0]=4 263 B8R1.2 ClCC1=CC=CN=C1 CS19291 [2,0,0,0,0,0|2,0,0]=4 264 B8R1.2 ClCC1=NC=CC=C1 CS19289 [2,0,0,0,0,0|2,0,0]=4 265 B8R1.2 ICC1=CC=CC=C1 CS11000 [2,0,0,0,0,0|1,0,0]=3 266 B8R1.2 ICC1=CC=CN=C1 MC430640 [2,0,0,0,0,0|2,0,0]=4 267 B8R1.2 I[Zn]c1ccccc1 MC121332 [2,0,0,0,0,0|2,0,0]=4 268 B8R1.2 N#CC1=CC=CC=C1 MC40623 [2,0,0,0,0,0|0,0,2]=4 269 B8R1.2 N#Cc1ccccc1 CS13696 [2,0,0,0,0,0|0,0,2]=4 270 B8R1.2 NCC1=CC=CC=C1 MC40797 [2,0,0,0,0,0|0,0,0]=2 271 B8R1.2 NCC1=CC=CN=C1 CS14226 [2,0,0,0,0,0|1,0,0]=3 272 B8R1.2 NCC1=CC=CN=N1 MC444234 [2,0,0,0,0,0|2,0,0]=4 273 B8R1.2 NCC1=CC=NC=C1 CS11906 [2,0,0,0,0,0|1,0,0]=3 274 B8R1.2 NCC1=CC=NC=C1 CS19023 [2,0,0,0,0,0|1,0,0]=3 275 B8R1.2 NCC1=CN=CN=C1 MC444384 [2,0,0,0,0,0|2,0,0]=4 276 B8R1.2 NCC1=CN=NC=C1 CS15014 [2,0,0,0,0,0|2,0,0]=4 277 B8R1.2 NCC1=CN=NC=C1 CS15515 [2,0,0,0,0,0|2,0,0]=4 278 B8R1.2 NCC1=CN=NC=C1 MC444324 [2,0,0,0,0,0|2,0,0]=4 279 B8R1.2 NCC1=NC=CC=N1 CS21304 [2,0,0,0,0,0|2,0,0]=4 280 B8R1.2 NCC1=NC=CC=N1 MC425460 [2,0,0,0,0,0|2,0,0]=4 281 B8R1.2 NCC1=NC=CN=C1 CS19691 [2,0,0,0,0,0|2,0,0]=4 282 B8R1.2 NCC1=NC=CN=C1 CS20245 [2,0,0,0,0,0|2,0,0]=4 283 B8R1.2 NCC1=NC=NC=C1 MC444325 [2,0,0,0,0,0|2,0,0]=4 284 B8R1.2 NNC1=CC=CC=C1 CS15210 [2,0,0,0,0,0|1,0,0]=3 285 B8R1.2 NNC1=CC=CC=C1 MC427075 [2,0,0,0,0,0|1,0,0]=3 286 B8R1.2 NNC1=CC=CN=C1 CS15491 [2,0,0,0,0,0|2,0,0]=4 287 B8R1.2 NNC1=CC=CN=C1 CS22308 [2,0,0,0,0,0|2,0,0]=4 288 B8R1.2 NNC1=CC=NC=C1 MC20777 [2,0,0,0,0,0|2,0,0]=4 289 B8R1.2 NNC1=NC=CC=C1 CS15589 [2,0,0,0,0,0|2,0,0]=4 290 B8R1.2 NNC1=NC=CC=C1 CS21573 [2,0,0,0,0,0|2,0,0]=4 291 B8R1.2 O=NC1=CC=CC=C1 MC33163 [2,0,0,0,0,0|2,0,0]=4 292 B8R1.2 OCC1=CC=CC=C1 MC40684 [2,0,0,0,0,0|1,0,0]=3 293 B8R1.2 OCC1=CC=CN=C1 CS22409 [2,0,0,0,0,0|2,0,0]=4 294 B8R1.2 OCC1=CC=NC=C1 CS19163 [2,0,0,0,0,0|2,0,0]=4 295 B8R1.2 OCC1=NC=CC=C1 CS19164 [2,0,0,0,0,0|2,0,0]=4 296 B10R1.13 C=C(C)C1=CC=C(O)C=C1 MC441020 [1,1,0,0,0,0|0,0,2]=4 297 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 CS19447 [1,1,0,0,0,0|1,0,1]=4 298 B10R1.13 CC(=O)C1=CC=C(C)C=C1 CS13558 [1,1,0,0,0,0|1,0,1]=4 299 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 CS20014 [1,1,0,0,0,0|1,0,1]=4 300 B10R1.13 CC(=O)C1=CC=C(F)C=C1 CS14299 [1,1,0,0,0,0|1,0,1]=4 301 B10R1.13 CC(=O)C1=CC=C(N)C=C1 MC20162 [1,1,0,0,0,0|1,0,1]=4 302 B10R1.13 CC(=O)C1=CC=C(O)C=C1 CS22884 [1,1,0,0,0,0|1,0,1]=4 303 B10R1.13 CC(=O)c1ccc(I)cc1 MC433245 [1,1,0,0,0,0|1,0,1]=4 304 B10R1.13 CC(Br)C1=CC=C(F)C=C1 CS16140 [1,1,0,0,0,0|1,0,0]=3 305 B10R1.13 CC(C)C1=CC=C(Br)C=C1 CS19162 [1,1,0,0,0,0|0,0,0]=2 306 B10R1.13 CC(C)C1=CC=C(Cl)N=N1 CS15951 [1,1,0,0,0,0|2,0,0]=4 307 B10R1.13 CC(C)C1=CC=C(N)C=C1 CS22915 [1,1,0,0,0,0|0,0,0]=2 308 B10R1.13 CC(C)C1=CC=C(N)C=N1 CS22406 [1,1,0,0,0,0|1,0,0]=3 309 B10R1.13 CC(C)C1=CN=C(Br)C=C1 MC432364 [1,1,0,0,0,0|1,0,0]=3 310 B10R1.13 CC(C)C1=CN=C(Cl)C=C1 MC107619 [1,1,0,0,0,0|1,0,0]=3 311 B10R1.13 CC(C)C1=CN=C(Cl)N=C1 MC113225 [1,1,0,0,0,0|2,0,0]=4 312 B10R1.13 CC(C)C1=CN=C(N)C=C1 CS21752 [1,1,0,0,0,0|1,0,0]=3 313 B10R1.13 CC(C)C1=NC=C(Br)C=N1 MC441127 [1,1,0,0,0,0|2,0,0]=4 314 B10R1.13 CC(N)C1=CC=C(Br)C=C1 CS10540 [1,1,0,0,0,0|0,0,0]=2 315 B10R1.13 CC(N)C1=CC=C(Br)C=C1 CS20256 [1,1,0,0,0,0|0,0,0]=2 316 B10R1.13 CC(N)C1=CC=C(F)C=C1 CS19253 [1,1,0,0,0,0|0,0,0]=2 317 B10R1.13 CC(N)C1=CC=C(F)C=C1 MC40832 [1,1,0,0,0,0|0,0,0]=2 318 B10R1.13 CC(N)C1=CC=C(F)C=C1 MC429424 [1,1,0,0,0,0|0,0,0]=2 319 B10R1.13 CC(N)C1=CC=C(I)C=C1 MC113505 [1,1,0,0,0,0|0,0,0]=2 320 B10R1.13 CC(N)C1=CC=C(N)C=C1 CS22422 [1,1,0,0,0,0|0,0,0]=2 321 B10R1.13 CC(N)C1=CN=C(Cl)N=C1 MC444001 [1,1,0,0,0,0|2,0,0]=4 322 B10R1.13 CC(N)C1=NC=C(F)C=C1 CS16980 [1,1,0,0,0,0|1,0,0]=3 323 B10R1.13 CC(N)C1=NC=C(F)C=C1 MC102962 [1,1,0,0,0,0|1,0,0]=3 324 B10R1.13 CC(N)C1=NC=C(F)C=N1 MC104532 [1,1,0,0,0,0|2,0,0]=4 325 B10R1.13 CC(N)c1ccc(Cl)cc1 MC433903 [1,1,0,0,0,0|0,0,0]=2 326 B10R1.13 CC(O)C1=CC=C(F)C=C1 MC33129 [1,1,0,0,0,0|1,0,0]=3 327 B10R1.13 CC(O)C1=CC=C(N)C=C1 MC40728 [1,1,0,0,0,0|1,0,0]=3 328 B10R1.13 CC1=CC=C(C(=N)N)C=C1 CS20439 [1,1,0,0,0,0|1,0,1]=4 329 B10R1.13 CC1=CC=C(C(N)=O)C=C1 CS11895 [1,1,0,0,0,0|1,0,1]=4 330 B10R1.13 CC1=CC=C(S(N)=O)C=C1 CS18822 [1,1,0,0,0,0|2,0,0]=4 331 B10R1.13 CC1=NC=C(C(C)N)C=N1 MC112001 [1,1,0,0,0,0|2,0,0]=4 332 B10R1.13 CN(C)C1=CC=C(Br)C=C1 CS15132 [1,1,0,0,0,0|1,0,0]=3 333 B10R1.13 CN(C)C1=CC=C(Br)N=C1 CS17769 [1,1,0,0,0,0|2,0,0]=4 334 B10R1.13 CN(C)C1=CC=C(Cl)C=C1 MC20289 [1,1,0,0,0,0|1,0,0]=3 335 B10R1.13 CN(C)C1=CC=C(I)C=C1 CS16430 [1,1,0,0,0,0|1,0,0]=3 336 B10R1.13 CN(C)C1=CC=C(O)C=C1 CS16528 [1,1,0,0,0,0|1,0,0]=3 337 B10R1.13 CN(C)C1=CC=C(O)C=C1 MC442505 [1,1,0,0,0,0|1,0,0]=3 338 B10R1.13 CN(C)C1=NC=C(Br)C=C1 MC425751 [1,1,0,0,0,0|2,0,0]=4 339 B10R1.13 CN(C)C1=NC=C(I)C=C1 CS16969 [1,1,0,0,0,0|2,0,0]=4 340 B10R1.13 CN(C)C1=NC=C(N)C=C1 MC427118 [1,1,0,0,0,0|2,0,0]=4 341 B10R1.13 CN(C)C1=NC=C(N)C=C1 MC427390 [1,1,0,0,0,0|2,0,0]=4 342 B10R1.13 Cc1ccc(C(C)C)cc1 MC444976 [1,1,0,0,0,0|0,0,0]=2 343 B10R1.13 FC(F)C1=CC=C(Br)C=C1 MC33151 [1,1,0,0,0,0|2,0,0]=4 344 B10R1.13 FC1=CC=C(C(Cl)Cl)C=C1 MC33143 [1,1,0,0,0,0|2,0,0]=4 345 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 MC21022 [1,1,0,0,0,0|1,0,1]=4 346 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 CS20283 [1,1,0,0,0,0|1,0,1]=4 347 B10R1.13 N=C(N)C1=CC=C(F)C=C1 CS18318 [1,1,0,0,0,0|1,0,1]=4 348 B10R1.13 N=C(N)C1=CC=C(N)C=C1 CS21974 [1,1,0,0,0,0|1,0,1]=4 349 B10R1.13 NC(=O)C1=CC=C(F)C=C1 CS10426 [1,1,0,0,0,0|1,0,1]=4 350 B10R1.13 NC(=S)C1=CC=C(O)C=C1 CS20343 [1,1,0,0,0,0|1,0,1]=4 351 B10R1.13 NC1=CC=C(C(F)F)C=C1 CS17592 [1,1,0,0,0,0|2,0,0]=4 352 B10R1.13 OC1=CC=C(C(F)F)C=C1 CS15692 [1,1,0,0,0,0|2,0,0]=4 353 B10R1.28 CC(C)(C)C1=CC=CC=C1 MC41559 [1,1,0,0,0,0|0,0,0]=2 354 B10R1.28 CC(C)(C)C1=CC=CN=C1 MC430933 [1,1,0,0,0,0|1,0,0]=3 355 B10R1.28 CC(C)(C)C1=CC=NC=C1 CS10123 [1,1,0,0,0,0|1,0,0]=3 356 B10R1.28 CC(C)(N)C1=NC=CC=C1 MC430649 [1,1,0,0,0,0|1,0,0]=3 357 B10R1.28 CC(C)(O)C1=NC=CC=C1 MC443311 [1,1,0,0,0,0|1,0,0]=3 358 B10R1.28 CS(=O)(=O)C1=CC=CC=C1 MC100403 [1,1,0,0,0,0|2,0,0]=4 359 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 CS12052 [1,1,0,0,0,0|1,0,0]=3 360 B10R1.28 C[Si](C)(C)C1=NC=CC=C1 MC445195 [1,1,0,0,0,0|1,1,0]=4 361 B10R1.28 C[Si](C)(Cl)C1=CC=CC=C1 CS11135 [1,1,0,0,0,0|0,1,0]=3 362 B10R1.28 FC(F)(F)C1=CC=CC=C1 MC41418 [1,1,0,0,0,0|2,0,0]=4 363 B10R1.28 NS(=O)(=O)C1=CC=CC=C1 CS10507 [1,1,0,0,0,0|2,0,0]=4 364 B10R1.61 CC(=O)C1=C(Br)C=CC=C1 CS18866 [1,1,0,0,0,0|1,0,1]=4 365 B10R1.61 CC(=O)C1=C(C)C=CC=C1 CS19710 [1,1,0,0,0,0|1,0,1]=4 366 B10R1.61 CC(=O)C1=C(Cl)C=CC=C1 MC41234 [1,1,0,0,0,0|1,0,1]=4 367 B10R1.61 CC(=O)C1=C(F)C=CC=C1 CS15490 [1,1,0,0,0,0|1,0,1]=4 368 B10R1.61 CC(=O)C1=C(N)C=CC=C1 CS19948 [1,1,0,0,0,0|1,0,1]=4 369 B10R1.61 CC(=O)C1=C(O)C=CC=C1 CS15026 [1,1,0,0,0,0|1,0,1]=4 370 B10R1.61 CC(C)C1=C(Br)C=CC=C1 CS19988 [1,1,0,0,0,0|0,0,0]=2 371 B10R1.61 CC(C)C1=CN=CN=C1Cl CS15913 [1,1,0,0,0,0|2,0,0]=4 372 B10R1.61 CC(C)C1=NC=CC=C1Br MC441304 [1,1,0,0,0,0|1,0,0]=3 373 B10R1.61 CC(C)C1=NC=CC=C1N MC445692 [1,1,0,0,0,0|1,0,0]=3 374 B10R1.61 CC(N)C1=C(Br)C=CC=C1 CS20301 [1,1,0,0,0,0|0,0,0]=2 375 B10R1.61 CC(N)C1=C(F)C=CC=C1 CS20318 [1,1,0,0,0,0|0,0,0]=2 376 B10R1.61 CC(N)C1=C(F)C=CC=C1 MC429423 [1,1,0,0,0,0|0,0,0]=2 377 B10R1.61 CC(N)C1=NC=CC=C1F MC430350 [1,1,0,0,0,0|1,0,0]=3 378 B10R1.61 CC(O)C1=C(Cl)C=CC=C1 CS13547 [1,1,0,0,0,0|1,0,0]=3 379 B10R1.61 CC(O)C1=C(F)C=CC=C1 CS15513 [1,1,0,0,0,0|1,0,0]=3 380 B10R1.61 CC(O)C1=C(F)C=CC=C1 MC33138 [1,1,0,0,0,0|1,0,0]=3 381 B10R1.61 CN(C)C1=C(Br)C=CC=C1 MC20183 [1,1,0,0,0,0|1,0,0]=3 382 B10R1.61 CN(C)C1=C(Cl)C=CC=C1 MC20288 [1,1,0,0,0,0|1,0,0]=3 383 B10R1.61 CN(C)C1=C(F)C=CC=C1 MC20285 [1,1,0,0,0,0|1,0,0]=3 384 B10R1.61 CN(C)C1=C(O)C=CC=C1 CS14782 [1,1,0,0,0,0|1,0,0]=3 385 B10R1.61 CN(C)C1=CC=CC=C1N CS14204 [1,1,0,0,0,0|1,0,0]=3 386 B10R1.61 Cc1ccccc1C(C)Br MC106119 [1,1,0,0,0,0|1,0,0]=3 387 B10R1.61 NC(=O)C1=C(Br)C=CC=C1 CS20174 [1,1,0,0,0,0|1,0,1]=4 388 B10R1.61 NC(=O)C1=C(F)C=CC=C1 MC41021 [1,1,0,0,0,0|1,0,1]=4 389 B10R1.61 NC(=O)C1=C(I)C=CC=C1 MC433808 [1,1,0,0,0,0|1,0,1]=4 390 B10R1.61 NC(=O)C1=C(O)C=CC=C1 CS11941 [1,1,0,0,0,0|1,0,1]=4 391 B10R1.61 NC1=C(C(F)F)C=CC=C1 MC429268 [1,1,0,0,0,0|2,0,0]=4 392 B10R1.113 CC(=O)C1=CC(Br)=CC=C1 CS18865 [1,1,0,0,0,0|1,0,1]=4 393 B10R1.113 CC(=O)C1=CC(Cl)=CC=C1 CS19798 [1,1,0,0,0,0|1,0,1]=4 394 B10R1.113 CC(=O)C1=CC(F)=CC=C1 CS19067 [1,1,0,0,0,0|1,0,1]=4 395 B10R1.113 CC(=O)C1=CC(I)=CC=C1 MC33049 [1,1,0,0,0,0|1,0,1]=4 396 B10R1.113 CC(=O)C1=CC(N)=CC=C1 CS19441 [1,1,0,0,0,0|1,0,1]=4 397 B10R1.113 CC(=O)C1=CC(O)=CC=C1 CS18681 [1,1,0,0,0,0|1,0,1]=4 398 B10R1.113 CC(=O)C1=CC=CC(C)=C1 CS19159 [1,1,0,0,0,0|1,0,1]=4 399 B10R1.113 CC(C)C1=CC(N)=NC=N1 MC425906 [1,1,0,0,0,0|2,0,0]=4 400 B10R1.113 CC(C)C1=CC=CC(Br)=N1 MC434005 [1,1,0,0,0,0|1,0,0]=3 401 B10R1.113 CC(C)C1=CC=CC(N)=N1 MC425411 [1,1,0,0,0,0|1,0,0]=3 402 B10R1.113 CC(C)C1=NC=CC(Cl)=C1 MC431795 [1,1,0,0,0,0|1,0,0]=3 403 B10R1.113 CC(C)c1cccc(Br)c1 MC433484 [1,1,0,0,0,0|0,0,0]=2 404 B10R1.113 CC(N)C1=CC(Cl)=NC=C1 MC105378 [1,1,0,0,0,0|1,0,0]=3 405 B10R1.113 CC(N)C1=CC(F)=CC=C1 CS19312 [1,1,0,0,0,0|0,0,0]=2 406 B10R1.113 CC(N)C1=CC(F)=CC=C1 CS19671 [1,1,0,0,0,0|0,0,0]=2 407 B10R1.113 CC(N)C1=CC(F)=CC=C1 CS20262 [1,1,0,0,0,0|0,0,0]=2 408 B10R1.113 CC(N)C1=CC(F)=CC=C1 MC429421 [1,1,0,0,0,0|0,0,0]=2 409 B10R1.113 CC(N)C1=CC(F)=CN=C1 MC106300 [1,1,0,0,0,0|1,0,0]=3 410 B10R1.113 CC(N)C1=CC=CC(N)=C1 MC116025 [1,1,0,0,0,0|0,0,0]=2 411 B10R1.113 CC(N)C1=CC=CC(O)=C1 MC431437 [1,1,0,0,0,0|0,0,0]=2 412 B10R1.113 CC(O)C1=CC(Br)=CC=C1 MC40729 [1,1,0,0,0,0|1,0,0]=3 413 B10R1.113 CC(O)C1=CC(F)=CC=C1 MC433887 [1,1,0,0,0,0|1,0,0]=3 414 B10R1.113 CC(O)C1=CC(F)=NC=C1 MC432297 [1,1,0,0,0,0|2,0,0]=4 415 B10R1.113 CC(O)C1=CC(N)=CC=C1 CS21787 [1,1,0,0,0,0|1,0,0]=3 416 B10R1.113 CC(O)C1=CC(N)=NC=C1 MC425261 [1,1,0,0,0,0|2,0,0]=4 417 B10R1.113 CC(O)C1=NC(Br)=CC=C1 CS14015 [1,1,0,0,0,0|2,0,0]=4 418 B10R1.113 CC1=CC(C(C)N)=CC=C1 CS17345 [1,1,0,0,0,0|0,0,0]=2 419 B10R1.113 CC1=CC=CC(C(=N)N)=C1 CS20438 [1,1,0,0,0,0|1,0,1]=4 420 B10R1.113 CC1=NC=CC(C(C)N)=C1 MC110560 [1,1,0,0,0,0|1,0,0]=3 421 B10R1.113 CN(C)C1=CC(Br)=CC=C1 MC40867 [1,1,0,0,0,0|1,0,0]=3 422 B10R1.113 CN(C)C1=CC(Br)=NC=C1 CS14908 [1,1,0,0,0,0|2,0,0]=4 423 B10R1.113 CN(C)C1=CC(Cl)=CC=C1 MC40885 [1,1,0,0,0,0|1,0,0]=3 424 B10R1.113 CN(C)C1=CC(Cl)=NC=C1 MC441248 [1,1,0,0,0,0|2,0,0]=4 425 B10R1.113 CN(C)C1=CC(F)=NC=C1 MC33464 [1,1,0,0,0,0|2,0,0]=4 426 B10R1.113 CN(C)C1=NC(Br)=CC=C1 MC442251 [1,1,0,0,0,0|2,0,0]=4 427 B10R1.113 CN(C)C1=NC=CC(Br)=C1 CS14905 [1,1,0,0,0,0|2,0,0]=4 428 B10R1.113 CN(C)C1=NC=CC(Cl)=C1 MC33456 [1,1,0,0,0,0|2,0,0]=4 429 B10R1.113 FC(F)C1=CC=CC(Br)=C1 CS12583 [1,1,0,0,0,0|2,0,0]=4 430 B10R1.113 Fc1cccc(C(F)F)c1 MC433518 [1,1,0,0,0,0|2,0,0]=4 431 B10R1.113 N=C(N)C1=CC(Br)=CC=C1 CS20273 [1,1,0,0,0,0|1,0,1]=4 432 B10R1.113 NC(=O)C1=CC(Br)=CC=C1 CS22167 [1,1,0,0,0,0|1,0,1]=4 433 B10R1.113 NC(=O)C1=CC(N)=CC=C1 MC433795 [1,1,0,0,0,0|1,0,1]=4 434 B10R1.113 NC1=CC(C(F)F)=CC=C1 MC429089 [1,1,0,0,0,0|2,0,0]=4 435 B10R1.113 OC1=CC(C(F)F)=CC=C1 MC432160 [1,1,0,0,0,0|2,0,0]=4 436 B10R1.1 Br[Zn]Cc1ccc(Br)cc1 MC121353 [1,1,0,0,0,0|2,0,0]=4 437 B10R1.1 CC1=CC=C(CC#N)C=C1 CS21709 [1,1,0,0,0,0|0,0,2]=4 438 B10R1.1 CC1=CC=C(CCBr)C=C1 CS19977 [1,1,0,0,0,0|1,0,0]=3 439 B10R1.1 CC1=CC=C(CCN)C=C1 CS18979 [1,1,0,0,0,0|0,0,0]=2 440 B10R1.1 CC1=CC=C(CCO)C=C1 MC40744 [1,1,0,0,0,0|1,0,0]=3 441 B10R1.1 CC1=CC=C(CNN)C=C1 CS20201 [1,1,0,0,0,0|1,0,0]=3 442 B10R1.1 CCCC1=CC=C(Br)C=C1 CS10896 [1,1,0,0,0,0|1,0,0]=3 443 B10R1.1 CCOC1=CC=C(Br)C=C1 MC446797 [1,1,0,0,0,0|2,0,0]=4 444 B10R1.1 CCOC1=CC=C(I)C=C1 CS22907 [1,1,0,0,0,0|2,0,0]=4 445 B10R1.1 CCOC1=CC=C(N)C=C1 CS11879 [1,1,0,0,0,0|2,0,0]=4 446 B10R1.1 CNCC1=CC=C(Br)C=C1 CS19272 [1,1,0,0,0,0|2,0,0]=4 447 B10R1.1 CNCC1=CC=C(C)C=C1 CS11795 [1,1,0,0,0,0|2,0,0]=4 448 B10R1.1 ClC1=CC=C(CCBr)C=C1 CS10835 [1,1,0,0,0,0|1,0,0]=3 449 B10R1.1 ClCCC1=CC=C(Cl)C=C1 MC433885 [1,1,0,0,0,0|1,0,0]=3 450 B10R1.1 FC1=CC=C(CCBr)C=C1 CS10866 [1,1,0,0,0,0|1,0,0]=3 451 B10R1.1 Fc1ccc(C[Zn]Cl)cc1 MC121346 [1,1,0,0,0,0|2,0,0]=4 452 B10R1.1 N#CCC1=CC=C(Br)C=C1 CS20687 [1,1,0,0,0,0|0,0,2]=4 453 B10R1.1 N#CCC1=CC=C(Cl)C=C1 MC20790 [1,1,0,0,0,0|0,0,2]=4 454 B10R1.1 N#CCC1=CC=C(F)C=C1 CS14479 [1,1,0,0,0,0|0,0,2]=4 455 B10R1.1 N#CCC1=CC=C(I)C=C1 MC40782 [1,1,0,0,0,0|0,0,2]=4 456 B10R1.1 N#CCC1=CC=C(N)C=C1 MC40751 [1,1,0,0,0,0|0,0,2]=4 457 B10R1.1 NC1=CC=C(CCO)C=C1 CS13450 [1,1,0,0,0,0|1,0,0]=3 458 B10R1.1 NCCC1=CC=C(Br)C=C1 CS19296 [1,1,0,0,0,0|0,0,0]=2 459 B10R1.1 NCCC1=CC=C(Cl)C=C1 MC40975 [1,1,0,0,0,0|0,0,0]=2 460 B10R1.1 NCCC1=CC=C(F)C=C1 CS13766 [1,1,0,0,0,0|0,0,0]=2 461 B10R1.1 NCCC1=CC=C(N)C=C1 MC33045 [1,1,0,0,0,0|0,0,0]=2 462 B10R1.1 NCCC1=CC=C(O)C=C1 CS22315 [1,1,0,0,0,0|0,0,0]=2 463 B10R1.1 NCCC1=CNC(=O)C=C1 MC33499 [1,1,0,0,0,0|1,0,0]=3 464 B10R1.1 NNCC1=CC=C(F)C=C1 CS17057 [1,1,0,0,0,0|1,0,0]=3 465 B10R1.1 O=CCC1=CC=C(Br)C=C1 CS18203 [1,1,0,0,0,0|1,0,1]=4 466 B10R1.1 OCCC1=CC=C(Br)C=C1 CS14491 [1,1,0,0,0,0|1,0,0]=3 467 B10R1.1 OCCC1=CC=C(Cl)C=C1 CS22791 [1,1,0,0,0,0|1,0,0]=3 468 B10R1.1 OCCC1=CC=C(F)C=C1 MC33200 [1,1,0,0,0,0|1,0,0]=3 469 B10R1.1 OCCC1=CC=C(I)C=C1 CS12086 [1,1,0,0,0,0|1,0,0]=3 470 B10R1.1 OCCC1=CC=C(O)C=C1 CS20458 [1,1,0,0,0,0|1,0,0]=3 471 B10R1.1 OCCC1=NC=C(Br)C=C1 MC102395 [1,1,0,0,0,0|2,0,0]=4 472 B10R1.4 Br[Zn]Cc1ccccc1Br MC121351 [1,1,0,0,0,0|2,0,0]=4 473 B10R1.4 CC1=C(CC#N)C=CC=C1 CS11825 [1,1,0,0,0,0|0,0,2]=4 474 B10R1.4 CC1=CC=CN=C1CCN MC33439 [1,1,0,0,0,0|1,0,0]=3 475 B10R1.4 CCOC1=C(Br)C=CC=C1 MC20149 [1,1,0,0,0,0|2,0,0]=4 476 B10R1.4 CCOC1=C(N)C=CC=C1 CS11823 [1,1,0,0,0,0|2,0,0]=4 477 B10R1.4 CCOC1=C(O)C=CC=C1 MC41194 [1,1,0,0,0,0|2,0,0]=4 478 B10R1.4 CNCC1=C(F)C=CC=C1 MC40828 [1,1,0,0,0,0|2,0,0]=4 479 B10R1.4 COCC1=C(Br)C=CC=C1 MC41399 [1,1,0,0,0,0|2,0,0]=4 480 B10R1.4 Fc1ccccc1C[Zn]Cl MC121344 [1,1,0,0,0,0|2,0,0]=4 481 B10R1.4 N#CCC1=C(Br)C=CC=C1 CS10707 [1,1,0,0,0,0|0,0,2]=4 482 B10R1.4 N#CCC1=C(Cl)C=CC=C1 CS21495 [1,1,0,0,0,0|0,0,2]=4 483 B10R1.4 N#CCC1=C(F)C=CC=C1 CS20772 [1,1,0,0,0,0|0,0,2]=4 484 B10R1.4 N#CCC1=C(I)C=CC=C1 MC40781 [1,1,0,0,0,0|0,0,2]=4 485 B10R1.4 N#CCC1=C(N)C=CC=C1 CS20914 [1,1,0,0,0,0|0,0,2]=4 486 B10R1.4 NCCC1=C(Br)C=CC=C1 CS15138 [1,1,0,0,0,0|0,0,0]=2 487 B10R1.4 NCCC1=C(F)C=CC=C1 CS14793 [1,1,0,0,0,0|0,0,0]=2 488 B10R1.4 NCCC1=C(N)C=CC=C1 CS15970 [1,1,0,0,0,0|0,0,0]=2 489 B10R1.4 NCCC1=NC=CC=C1Br MC104547 [1,1,0,0,0,0|1,0,0]=3 490 B10R1.4 NCCN1C=CC=CC1=O MC431465 [1,1,0,0,0,0|1,0,0]=3 491 B10R1.4 NNCC1=C(F)C=CC=C1 CS20134 [1,1,0,0,0,0|1,0,0]=3 492 B10R1.4 NNCc1ccccc1F MC443842 [1,1,0,0,0,0|1,0,0]=3 493 B10R1.4 O=CCC1=C(F)C=CC=C1 MC431003 [1,1,0,0,0,0|1,0,1]=4 494 B10R1.4 OC1=C(CCI)C=CC=C1 MC430321 [1,1,0,0,0,0|1,0,0]=3 495 B10R1.4 OCCC1=C(Br)C=CC=C1 CS21407 [1,1,0,0,0,0|1,0,0]=3 496 B10R1.4 OCCC1=C(Cl)C=CC=C1 MC40737 [1,1,0,0,0,0|1,0,0]=3 497 B10R1.4 OCCC1=C(F)C=CC=C1 MC33149 [1,1,0,0,0,0|1,0,0]=3 498 B10R1.10 Br[Zn]Cc1cccc(Br)c1 MC121352 [1,1,0,0,0,0|2,0,0]=4 499 B10R1.10 C=CCC1=CC=CC(O)=C1 MC425380 [1,1,0,0,0,0|1,0,1]=4 500 B10R1.10 CC1=CC(CC#N)=CC=C1 CS18941 [1,1,0,0,0,0|0,0,2]=4 501 B10R1.10 CC1=CC(CCO)=CC=C1 CS22372 [1,1,0,0,0,0|1,0,0]=3 502 B10R1.10 CCCc1cccc(F)c1 MC440476 [1,1,0,0,0,0|1,0,0]=3 503 B10R1.10 FC1=CC=CC(CCBr)=C1 MC40572 [1,1,0,0,0,0|1,0,0]=3 504 B10R1.10 Fc1cccc(C[Zn]Cl)c1 MC121345 [1,1,0,0,0,0|2,0,0]=4 505 B10R1.10 N#CCC1=CC(Br)=CC=C1 CS18969 [1,1,0,0,0,0|0,0,2]=4 506 B10R1.10 N#CCC1=CC(Cl)=CC=C1 CS13745 [1,1,0,0,0,0|0,0,2]=4 507 B10R1.10 N#CCC1=CC(F)=CC=C1 MC20212 [1,1,0,0,0,0|0,0,2]=4 508 B10R1.10 N#CCC1=CC(N)=CC=C1 MC433930 [1,1,0,0,0,0|0,0,2]=4 509 B10R1.10 NC1=CC=CC(CCO)=C1 CS22105 [1,1,0,0,0,0|1,0,0]=3 510 B10R1.10 NCCC1=CC(Br)=CC=C1 CS15159 [1,1,0,0,0,0|0,0,0]=2 511 B10R1.10 NCCC1=CC(F)=CC=C1 MC40979 [1,1,0,0,0,0|0,0,0]=2 512 B10R1.10 NNCC1=CC(O)=CC=C1 MC10382 [1,1,0,0,0,0|1,0,0]=3 513 B10R1.10 O=CCC1=CC(O)=CC=C1 MC106361 [1,1,0,0,0,0|1,0,1]=4 514 B10R1.10 OCCC1=CC(Br)=CC=C1 CS22186 [1,1,0,0,0,0|1,0,0]=3 515 B10R1.10 OCCC1=CC(Cl)=CC=C1 CS22241 [1,1,0,0,0,0|1,0,0]=3 516 B10R1.10 OCCC1=CC(F)=CC=C1 MC40743 [1,1,0,0,0,0|1,0,0]=3 517 B10R1.17 BrCCOC1=CC=CC=C1 MC20150 [1,1,0,0,0,0|1,0,0]=3 518 B10R1.17 Br[Zn]CCc1ccccc1 MC121341 [1,1,0,0,0,0|1,0,0]=3 519 B10R1.17 CNCCC1=CC=CC=C1 MC446670 [1,1,0,0,0,0|0,0,0]=2 520 B10R1.17 ClCCOC1=CC=CC=C1 MC33174 [1,1,0,0,0,0|1,0,0]=3 521 B10R1.17 ClC\C=C\C1=CC=CC=C1 MC41818 [1,1,0,0,0,0|1,0,1]=4 522 B10R1.17 NCCCC1=CC=NC=C1 MC425564 [1,1,0,0,0,0|1,0,0]=3 523 B10R1.17 NCCNC1=NC=CC=C1 CS11746 [1,1,0,0,0,0|1,0,0]=3 524 B10R1.17 NCCOC1=CC=CC=C1 CS20484 [1,1,0,0,0,0|0,0,0]=2 525 B10R1.17 NCCOC1=CC=CN=C1 CS16368 [1,1,0,0,0,0|1,0,0]=3 526 B10R1.17 NOCCC1=CC=NC=C1 MC427573 [1,1,0,0,0,0|1,0,0]=3 527 B10R1.17 OCCCC1=CC=NC=C1 CS22019 [1,1,0,0,0,0|2,0,0]=4 528 B10R1.17 OCCOC1=CC=CC=C1 MC41398 [1,1,0,0,0,0|1,0,0]=3 529 B10R1.18 CC(Br)CC1=CC=CC=C1 MC41813 [1,1,0,0,0,0|1,0,0]=3 530 B10R1.18 CC(C)NC1=CC=CC=C1 CS11787 [1,1,0,0,0,0|2,0,0]=4 531 B10R1.18 CC(C)OC1=CC=CC=C1 MC41360 [1,1,0,0,0,0|2,0,0]=4 532 B10R1.18 FC(F)OC1=CC=CC=C1 MC41385 [1,1,0,0,0,0|2,0,0]=4 533 B10R1.18 FC(F)SC1=CC=CC=C1 MC428027 [1,1,0,0,0,0|2,0,0]=4 534 B10R1.18 NC(=O)NC1=CC=CC=C1 CS10533 [1,1,0,0,0,0|1,0,1]=4 535 B10R1.18 NC(=O)OC1=CC=CC=C1 MC428148 [1,1,0,0,0,0|1,0,1]=4 536 B10R1.18 O=C([O-])CC1=CC=CC=C1 MC34448 [1,1,0,0,0,0|1,0,1]=4 537 B10R1.149 CC1=C(C(O)CN)SC=C1 MC107758 [0,1,0,0,1,0|2,0,0]=4 538 B10R1.149 CN1C=CC=C1C(O)CN MC107741 [0,1,0,0,1,0|2,0,0]=4 539 B12R1.32 CN(CCO)CC1=CC=CC=C1 CS11755 [0,1,0,0,0,1|2,0,0]=4 540 B12R1.34 CN(C(=O)CN)C1=CC=CC=C1 MC111794 [0,1,0,0,0,1|1,0,1]=4 541 B12R1.34 NC(CO)C(O)C1=CC=CC=C1 MC20366 [0,1,0,0,0,1|2,0,0]=4 542 B12R1.43 CC(NC1=CC=CC=C1)C(=O)O MC20809 [0,1,0,0,0,1|1,0,1]=4 543 B12R1.43 NC(=O)C(N)Cc1ccccc1 MC438079 [0,1,0,0,0,1|1,0,1]=4 544 B12R1.43 NC(=O)C(N)Cc1ccccc1 MC438080 [0,1,0,0,0,1|1,0,1]=4 545 B12R1.43 NC(=O)C(N)Cc1ccccc1 MC438081 [0,1,0,0,0,1|1,0,1]=4 546 B12R1.43 NC(=O)C(N)Cc1ccccc1 MC438082 [0,1,0,0,0,1|1,0,1]=4 547 B12R1.49 NC(CO)CC1=CC=C(I)C=C1 MC115448 [0,1,0,0,0,1|2,0,0]=4 548 B12R1.49 NC(CO)Cc1ccc(O)cc1 MC439069 [0,1,0,0,0,1|2,0,0]=4 549 B12R1.50 CCC(C)OC1=CC=CC(O)=C1 MC112599 [0,1,0,0,0,1|1,0,0]=3 550 B12R1.50 NC(CO)CC1=CC(F)=CC=C1 MC431472 [0,1,0,0,0,1|2,0,0]=4 551 B12R1.194 CNC(C)(C)CC1=CC=CC=C1 MC34003 [0,1,0,0,0,1|2,0,0]=4 552 B12R1.194 CNC(C)(C)CC1=CC=CC=C1 MC34004 [0,1,0,0,0,1|2,0,0]=4 553 B12R1.9 CC(C)(C#N)C1=CC=C(Br)C=C1 MC427077 [0,2,0,0,0,0|0,0,2]=4 554 B12R1.9 CC(C)(C#N)C1=CC=C(N)C=C1 CS12821 [0,2,0,0,0,0|0,0,2]=4 555 B12R1.9 CC(C)(CN)C1=CC=C(Br)C=C1 MC427286 [0,2,0,0,0,0|0,0,0]=2 556 B12R1.9 CC(C)(CN)C1=CC=C(I)C=C1 MC106337 [0,2,0,0,0,0|0,0,0]=2 557 B12R1.9 CCC(C)(C)C1=CC=C(O)C=C1 CS15993 [0,2,0,0,0,0|1,0,0]=3 558 B12R1.10 CC(C)(C#N)C1=CC(N)=CC=C1 MC113299 [0,2,0,0,0,0|0,0,2]=4 559 B12R1.10 CC[N+](C)(C)C1=CC(O)=CC=C1 CS11300 [0,2,0,0,0,0|2,0,0]=4 560 B12R1.253 CC(C)(C(=O)O)C1=CC=CC=C1 CS10020 [0,2,0,0,0,0|1,0,1]=4 561 B12R1.12 CC1=CC=C(C(CN)CO)C=C1 MC105877 [0,2,0,0,0,0|0,0,0]=2 562 B12R1.12 CC1=CC=C(C(CN)CO)C=C1 MC105878 [0,2,0,0,0,0|0,0,0]=2 563 B12R1.12 NCC(CO)C1=CC=C(Br)C=C1 MC105893 [0,2,0,0,0,0|0,0,0]=2 564 B12R1.12 NCC(CO)C1=CC=C(Br)C=C1 MC105894 [0,2,0,0,0,0|0,0,0]=2 565 B12R1.12 NCC(CO)C1=CC=C(Cl)C=C1 MC105869 [0,2,0,0,0,0|0,0,0]=2 566 B12R1.12 NCC(CO)C1=CC=C(Cl)C=C1 MC105870 [0,2,0,0,0,0|0,0,0]=2 567 B12R1.12 NCC(CO)C1=CC=C(F)C=C1 MC105861 [0,2,0,0,0,0|0,0,0]=2 568 B12R1.12 NCC(CO)C1=CC=C(F)C=C1 MC105862 [0,2,0,0,0,0|0,0,0]=2 569 B12R1.243 COC(OC)C1=C(I)C=CC=C1 MC20293 [0,2,0,0,0,0|2,0,0]=4 570 B12R1.478 CC(C)C(NO)C1=CC=CC=C1 MC107667 [0,2,0,0,0,0|2,0,0]=4 571 B12R1.478 CCC(C(=O)O)C1=CC=CC=C1 CS20312 [0,2,0,0,0,0|1,0,1]=4 572 B12R1.478 CNC(C(=O)O)c1ccccc1 MC437936 [0,2,0,0,0,0|1,0,1]=4 573 B12R1.478 CNC(C(=O)O)c1ccccc1 MC437937 [0,2,0,0,0,0|1,0,1]=4 574 B12R1.478 CNC(C(=O)O)c1ccccc1 MC437938 [0,2,0,0,0,0|1,0,1]=4 575 B12R1.478 COC(C(=O)O)c1ccccc1 MC428059 [0,2,0,0,0,0|1,0,1]=4 576 B12R1.478 N#CC(C(N)=O)C1=CC=CC=C1 MC33238 [0,2,0,0,0,0|0,0,2]=4 577 B12R1.478 NCC(C(=O)O)C1=CC=CC=C1 MC105852 [0,2,0,0,0,0|0,0,1]=3 578 B12R1.478 NCC(C(=O)O)C1=CC=CC=C1 MC105853 [0,2,0,0,0,0|0,0,1]=3 579 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 CS11969 [0,2,0,0,0,0|1,0,0]=3 580 B12R1.16 NC(CCO)C1=CC=C(Cl)C=C1 CS14753 [0,2,0,0,0,0|2,0,0]=4 581 B12R1.16 NC(CCO)C1=CC=C(F)C=C1 CS19558 [0,2,0,0,0,0|2,0,0]=4 582 B12R1.16 NC(CCO)C1=CC=C(F)C=C1 MC106616 [0,2,0,0,0,0|2,0,0]=4 583 B12R1.17 NC(CCO)C1=CC(Cl)=CC=C1 CS19263 [0,2,0,0,0,0|2,0,0]=4 584 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 MC42229 [0,2,0,0,0,0|2,0,0]=4 585 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 MC428246 [0,2,0,0,0,0|2,0,0]=4 586 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 CS22312 [0,2,0,0,0,0|2,0,0]=4 587 B12R1.5 COC1=CC=C(C(=O)CN)C=C1 CS21179 [0,2,0,0,0,0|1,0,1]=4 588 B12R1.5 COC1=CC=C(C(O)CN)C=C1 MC431260 [0,2,0,0,0,0|1,0,0]=3 589 B12R1.20 CC(C(=O)O)C1=CC=C(F)C=C1 CS12331 [0,2,0,0,0,0|1,0,1]=4 590 B12R1.367 NCC(=O)C1=CC(F)=C(Br)C=C1 MC114806 [0,2,0,0,0,0|1,0,1]=4 591 B12R1.225 CC(C(=O)O)C1=CC(Br)=CC=C1 CS14817 [0,2,0,0,0,0|1,0,1]=4 592 B12R1.225 CC(C(=O)O)C1=CC(N)=CC=C1 MC102234 [0,2,0,0,0,0|1,0,1]=4 593 B12R1.225 CC(C1=CC=CC(O)=C1)N(C)C MC445154 [0,2,0,0,0,0|2,0,0]=4 594 B12R1.225 CC(c1cccc(O)c1)N(C)C MC445158 [0,2,0,0,0,0|2,0,0]=4 595 B12R1.225 CC1=CC(C(C)C(=O)O)=CC=C1 MC442791 [0,2,0,0,0,0|1,0,1]=4 596 B12R1.354 CCC(N)C1=C(F)C=CC(F)=C1 MC107000 [0,2,0,0,0,0|2,0,0]=4 597 B12R1.354 NCC(=O)C1=C(F)C=CC(F)=C1 CS17892 [0,2,0,0,0,0|1,0,1]=4 598 B12R1.124 CC(C(=O)O)C1=C(Cl)C=CC=C1 CS21673 [0,2,0,0,0,0|1,0,1]=4 599 B12R1.124 NC(=O)C(N)C1=C(Cl)C=CC=C1 MC102535 [0,2,0,0,0,0|1,0,1]=4 600 B12R1.564 CC(C)(C)C(N)C1=CC=CC=C1 CS11465 [0,2,0,0,0,0|2,0,0]=4 601 B12R1.564 OC(c1ccccc1)C(F)(F)F MC433883 [0,2,0,0,0,0|2,0,0]=4 602 B10R2.6 C1=CC=C(C2CO2)C=C1 MC20326 [1,0,0,1,0,0|1,0,0]=3 603 B10R2.6 C1=CC=C(C2CO2)C=C1 MC445226 [1,0,0,1,0,0|1,0,0]=3 604 B10R2.7 C1=CC2=C(C=C1)CSC2 MC114506 [1,0,0,1,0,0|2,0,0]=4 605 B10R2.7 C1=CC2=C(C=C1)NC=N2 MC41756 [1,0,0,1,0,0|1,0,1]=4 606 B10R2.7 C1=CC2=C(C=C1)OCC2 CS20929 [1,0,0,1,0,0|1,0,0]=3 607 B10R2.7 C1=CC2=C(C=C1)OCO2 CS20505 [1,0,0,1,0,0|2,0,0]=4 608 B10R2.7 C1=CC=C2CC=CC2=C1 MC20914 [1,0,0,1,0,0|1,0,1]=4 609 B10R2.7 C1=CC=C2CNCC2=C1 CS11516 [1,0,0,1,0,0|2,0,0]=4 610 B10R2.7 C1=CC=C2CNCC2=C1 MC442466 [1,0,0,1,0,0|2,0,0]=4 611 B10R2.7 C1=CC=C2NC=CC2=C1 CS11496 [1,0,0,1,0,0|0,0,2]=4 612 B10R2.7 C1=CC=C2NCCC2=C1 CS19084 [1,0,0,1,0,0|0,0,0]=2 613 B10R2.7 C1=CC=C2NN=CC2=C1 CS11488 [1,0,0,1,0,0|1,0,1]=4 614 B10R2.7 C1=CN=C2CCCC2=C1 CS14838 [1,0,0,1,0,0|2,0,0]=4 615 B10R2.7 C1=CN=C2CCNC2=C1 MC107728 [1,0,0,1,0,0|1,0,0]=3 616 B10R2.7 C1=CN=C2NCCC2=C1 CS21039 [1,0,0,1,0,0|1,0,0]=3 617 B10R2.136 C1=CN(C2CNC2)N=C1 MC111653 [0,0,0,1,1,0|2,0,0]=4 618 B12R2.18 CC1CC2=CC=CC=C2C1=O MC446688 [0,0,0,1,0,1|1,0,1]=4 619 B12R2.18 NC1C2=CC=CC=C2CC1O CS13576 [0,0,0,1,0,1|1,0,0]=3 620 B12R2.18 NC1C2=CC=CC=C2CC1O MC20312 [0,0,0,1,0,1|1,0,0]=3 621 B12R2.18 NC1CC2=CC=CC=C2C1O MC446701 [0,0,0,1,0,1|2,0,0]=4 622 B12R2.24 CC1CNC2=CC=CC=C2C1 MC33343 [0,0,0,1,0,1|0,0,0]=2 623 B12R2.24 CN1CCC2=CC=CC=C2C1 CS16157 [0,0,0,1,0,1|2,0,0]=4 624 B12R2.24 NC1CCC2=CC=CC=C2C1 CS18799 [0,0,0,1,0,1|2,0,0]=4 625 B12R2.24 NC1CCC2=CC=CC=C2C1 MC106682 [0,0,0,1,0,1|2,0,0]=4 626 B12R2.24 NC1CCC2=CC=CC=C2C1 MC106683 [0,0,0,1,0,1|2,0,0]=4 627 B12R2.32 NCC1=CC2=C(C=CC=C2)O1 MC111185 [0,0,0,1,0,1|0,0,2]=4 628 B12R2.32 NCC1=NC2=C(C=CC=C2)N1 CS14446 [0,0,0,1,0,1|1,0,1]=4 629 B12R2.32 NCC1=NC2=C(C=CC=C2)N1 CS20888 [0,0,0,1,0,1|1,0,1]=4 630 B12R2.32 NCC1=NC2=C(C=CC=C2)N1 MC425570 [0,0,0,1,0,1|1,0,1]=4 631 B12R2.32 OCC1CC2=C(C=CC=C2)O1 CS21037 [0,0,0,1,0,1|1,0,0]=3 632 B12R2.32 OCC1CC2=CC=CC=C2N1 MC105284 [0,0,0,1,0,1|1,0,0]=3 633 B12R2.94 ClC1(SC2=CC=CC=C2)CC1 MC121263 [0,0,0,1,0,1|2,0,0]=4 634 B12R2.48 CNC1(C2=CC=CC=C2)CC1 MC431934 [0,1,0,1,0,0|1,0,0]=3 635 B12R2.48 N#CC1(C2=CC=CC=C2)CC1 CS19424 [0,1,0,1,0,0|0,0,2]=4 636 B12R2.48 O=CC1(C2=CC=CC=C2)CC1 MC115826 [0,1,0,1,0,0|1,0,1]=4 637 B12R2.116 NC1(C2=CC=CC=C2)CCC1 CS20790 [0,1,0,1,0,0|1,0,0]=3 638 B12R2.116 NC1(C2=CC=CC=C2)COC1 MC115717 [0,1,0,1,0,0|1,0,0]=3 639 B12R2.2403 CC1(C)NCC2=CC=CC=C21 MC101956 [0,1,0,1,0,0|2,0,0]=4 640 B12R2.2403 FC1(F)CNC2=CC=CC=C21 MC429867 [0,1,0,1,0,0|1,0,0]=3 641 B12R2.1 CNC1CCC2=CC=CC=C21 MC431440 [0,1,0,1,0,0|1,0,0]=3 642 B12R2.1 COC1=NNC2=CC=CC=C21 MC428325 [0,1,0,1,0,0|1,0,1]=4 643 B12R2.1 N#CC1CCC2=CC=CC=C21 CS13197 [0,1,0,1,0,0|0,0,2]=4 644 B12R2.1 NCC1=CNC2=CC=CC=C12 CS20093 [0,1,0,1,0,0|0,0,2]=4 645 B12R2.1 NCC1=NNC2=CC=CC=C21 CS11089 [0,1,0,1,0,0|1,0,1]=4 646 B12R2.1 OCC1=CNC2=C1C=CC=C2 MC20402 [0,1,0,1,0,0|0,0,2]=4 647 B12R2.1 OCC1=NNC2=CC=CC=C21 MC444218 [0,1,0,1,0,0|1,0,1]=4 648 B12R2.2 C1=CC(C2CCCN2)=CC=N1 MC425217 [0,1,0,1,0,0|2,0,0]=4 649 B12R2.2 C1=CC(C2CCNC2)=NC=N1 MC430224 [0,1,0,1,0,0|2,0,0]=4 650 B12R2.2 C1=CC=C(C2CCCN2)C=C1 CS11140 [0,1,0,1,0,0|1,0,0]=3 651 B12R2.2 C1=CC=C(C2CCCN2)C=C1 CS17953 [0,1,0,1,0,0|1,0,0]=3 652 B12R2.2 C1=CC=C(C2CCCN2)C=C1 MC105777 [0,1,0,1,0,0|1,0,0]=3 653 B12R2.2 C1=CC=C(C2CCNC2)C=C1 MC106676 [0,1,0,1,0,0|0,0,0]=2 654 B12R2.2 C1=CN=CC(C2CCCN2)=C1 CS21193 [0,1,0,1,0,0|2,0,0]=4 655 B12R2.2 C1=CN=CC(C2CCNC2)=C1 MC106144 [0,1,0,1,0,0|1,0,0]=3 656 B12R2.22 NC1CC(C2=CC=CC=C2)C1 MC103854 [0,1,0,1,0,0|0,0,0]=2 657 B12R2.22 NC1CC(C2=CC=CC=C2)C1 MC103855 [0,1,0,1,0,0|0,0,0]=2 658 B12R2.22 NC1CC(C2=CC=CC=C2)C1 MC105059 [0,1,0,1,0,0|0,0,0]=2 659 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 MC105058 [0,1,0,1,0,0|1,0,0]=3 660 B12R2.1081 CC1CCNC2=CC=CC=C21 CS17518 [0,1,0,1,0,0|0,0,0]=2 661 B12R2.1081 CC1CNCC2=CC=CC=C21 CS17240 [0,1,0,1,0,0|0,0,0]=2 662 B12R2.1081 CC1NCCC2=CC=CC=C21 CS12178 [0,1,0,1,0,0|1,0,0]=3 663 B12R2.1081 CC1NCCC2=CC=CC=C21 CS15270 [0,1,0,1,0,0|1,0,0]=3 664 B12R2.1081 CN1CCNC2=CC=CC=C21 CS19012 [0,1,0,1,0,0|1,0,0]=3 665 B12R2.1081 NC1CCCC2=CC=CC=C21 CS13980 [0,1,0,1,0,0|2,0,0]=4 666 B12R2.1081 NC1CCOC2=CC=CC=C21 CS18355 [0,1,0,1,0,0|2,0,0]=4 667 B12R2.1081 NC1COCC2=CC=CC=C21 MC100130 [0,1,0,1,0,0|2,0,0]=4 668 B12R2.1081 O=C1CCNC2=CC=CC=C12 CS15321 [0,1,0,1,0,0|1,0,1]=4 669 B12R2.1081 O=C1CCNC2=CC=CC=C12 MC441207 [0,1,0,1,0,0|1,0,1]=4 670 B12R2.1081 OC1CNCC2=CC=CC=C21 MC111757 [0,1,0,1,0,0|1,0,0]=3 671 B12R2.2028 O=C1CC(Br)C2=CC=CC=C12 CS22129 [0,1,0,1,0,0|2,0,0]=4 672 B12R2.79 NC1CC1C2=CC=C(Br)C=C2 MC111254 [0,1,0,1,0,0|0,0,0]=2 673 B12R2.612 CC1=NNC2=CC(Br)=CC=C21 CS10639 [0,1,0,1,0,0|1,0,1]=4 674 B12R2.612 CC1=NNC2=CC(Cl)=CC=C21 MC441347 [0,1,0,1,0,0|1,0,1]=4 675 B12R2.612 CC1=NNC2=CC(F)=CC=C21 MC441188 [0,1,0,1,0,0|1,0,1]=4 676 B12R2.612 CC1=NNC2=CC(I)=CC=C21 MC441346 [0,1,0,1,0,0|1,0,1]=4 677 B12R2.612 CC1=NNC2=CC(N)=CC=C21 MC441348 [0,1,0,1,0,0|1,0,1]=4 678 B12R2.612 CC1=NNC2=CC(O)=CC=C21 MC441350 [0,1,0,1,0,0|1,0,1]=4 679 B12R2.612 ClC1CCC2=CC(Br)=CC=C21 CS16081 [0,1,0,1,0,0|2,0,0]=4 680 B12R2.612 NC1CCC2=CC(F)=CC=C21 MC431475 [0,1,0,1,0,0|2,0,0]=4 681 B12R2.2302 BrC1=CC=C(C2COC2)C=C1 MC102461 [0,1,0,1,0,0|1,0,0]=3 682 B12R2.132 CC1=CNC2=CC=C(O)C=C12 CS14814 [0,1,0,1,0,0|0,0,2]=4 683 B12R2.132 CC1=NNC2=CC=C(Br)C=C21 CS18362 [0,1,0,1,0,0|1,0,1]=4 684 B12R2.132 CC1=NNC2=CC=C(Cl)C=C21 MC441351 [0,1,0,1,0,0|1,0,1]=4 685 B12R2.132 CC1=NNC2=CC=C(F)C=C21 MC441187 [0,1,0,1,0,0|1,0,1]=4 686 B12R2.132 CC1=NNC2=CC=C(I)C=C21 MC441185 [0,1,0,1,0,0|1,0,1]=4 687 B12R2.132 CC1=NNC2=CC=C(N)C=C21 CS22354 [0,1,0,1,0,0|1,0,1]=4 688 B12R2.132 CC1=NNC2=CC=C(O)C=C21 MC441356 [0,1,0,1,0,0|1,0,1]=4 689 B12R2.132 NC1CCC2=CC=C(Br)C=C21 MC104166 [0,1,0,1,0,0|2,0,0]=4 690 B12R2.132 NC1CCC2=CC=C(Br)C=C21 MC105332 [0,1,0,1,0,0|2,0,0]=4 691 B12R2.132 NC1CCC2=CC=C(F)C=C21 MC431345 [0,1,0,1,0,0|2,0,0]=4 692 B12R2.132 NC1CCC2=CC=C(O)C=C21 MC104168 [0,1,0,1,0,0|2,0,0]=4 693 B12R2.132 NC1CCC2=CC=C(O)C=C21 MC105334 [0,1,0,1,0,0|2,0,0]=4 694 B12R2.132 NC1COC2=C1C=C(F)C=C2 MC431482 [0,1,0,1,0,0|2,0,0]=4 695 B12R2.196 CC1=NNC2=C(Br)C=CC=C12 MC441182 [0,1,0,1,0,0|1,0,1]=4 696 B12R2.196 CC1=NNC2=C(F)C=CC=C12 MC441181 [0,1,0,1,0,0|1,0,1]=4 697 B12R2.196 CC1=NNC2=C(N)C=CC=C12 MC441785 [0,1,0,1,0,0|1,0,1]=4 698 B12R2.196 NC1CCC2=C(Br)C=CC=C21 CS14533 [0,1,0,1,0,0|2,0,0]=4 699 B12R2.196 NC1CCC2=C(Br)C=CC=C21 CS14534 [0,1,0,1,0,0|2,0,0]=4 700 B12R2.196 NC1CCC2=C(F)C=CC=C21 CS18746 [0,1,0,1,0,0|2,0,0]=4 701 B12R2.1282 CC1(C2=NC=CC(Br)=C2)CC1 MC110670 [0,1,0,1,0,0|2,0,0]=4 702 B12R2.1282 NC1(C2=CC(F)=CC=C2)CC1 MC106817 [0,1,0,1,0,0|2,0,0]=4 703 B12R2.2313 BrC1=CC(C2CCC2)=NC=C1 MC110669 [0,1,0,1,0,0|2,0,0]=4 704 B12R2.2313 BrC1=CC=CC(C2COC2)=C1 MC115757 [0,1,0,1,0,0|1,0,0]=3 705 B12R2.88 NC1(C2=C(Cl)C=CC=C2)CC1 MC115575 [0,1,0,1,0,0|2,0,0]=4 706 B12R2.88 NC1(C2=C(F)C=CC=C2)CC1 MC443454 [0,1,0,1,0,0|2,0,0]=4 707 B12R2.203 CC1=CNC2=CC=CC(Br)=C12 CS12569 [0,1,0,1,0,0|0,0,2]=4 708 B12R2.203 CC1=NNC2=C1C(N)=CC=C2 MC441202 [0,1,0,1,0,0|1,0,1]=4 709 B12R2.203 CC1=NNC2=C1C(O)=CC=C2 MC441352 [0,1,0,1,0,0|1,0,1]=4 710 B12R2.203 CC1=NNC2=CC=CC(Br)=C21 CS16636 [0,1,0,1,0,0|1,0,1]=4 711 B12R2.203 CC1=NNC2=CC=CC(Cl)=C21 MC100876 [0,1,0,1,0,0|1,0,1]=4 712 B12R2.203 CC1=NNC2=CC=CC(F)=C21 MC441186 [0,1,0,1,0,0|1,0,1]=4 713 B8R1.7 CC(C)C1=CC=CO1 MC428131 [1,0,0,0,1,0|1,0,0]=3 714 B8R1.7 CC(C)C1=NC=CN1 CS21624 [1,0,0,0,1,0|2,0,0]=4 715 B8R1.7 CC(N)C1=NC=CS1 MC446644 [1,0,0,0,1,0|2,0,0]=4 716 B8R1.7 CC(O)[C-]1C=CC=C1 MC440406 [1,0,0,0,1,0|1,0,1]=4 717 B8R1.7 CC(O)[C-]1C=CC=C1 MC440409 [1,0,0,0,1,0|1,0,1]=4 718 B8R1.8 NCCC1=CNC=N1 CS18264 [1,0,0,0,1,0|2,0,0]=4 719 B8R1.8 NCCC1=CSC=C1 CS22098 [1,0,0,0,1,0|1,0,0]=3 720 B8R1.8 NNCC1=CC=CS1 MC104512 [1,0,0,0,1,0|2,0,0]=4 721 B8R1.8 NNCC1=CSC=C1 MC104511 [1,0,0,0,1,0|2,0,0]=4 722 B8R1.8 OCCC1=CC=CS1 CS14939 [1,0,0,0,1,0|2,0,0]=4 723 B8R1.8 OCCC1=CSC=C1 CS20858 [1,0,0,0,1,0|2,0,0]=4 724 B12R1.27 CC(CO)NCC1=CC=CC=C1 CS11754 [0,0,0,0,0,2|1,0,0]=3 725 B12R1.27 CC(CO)OCC1=CC=CC=C1 MC106974 [0,0,0,0,0,2|1,0,0]=3 726 B12R1.27 NCC(=O)OCC1=CC=CC=C1 MC428105 [0,0,0,0,0,2|1,0,1]=4 727 B12R1.27 NCC(=O)OCc1ccccc1 MC437714 [0,0,0,0,0,2|1,0,1]=4 728 B12R1.27 NCC(=O)OCc1ccccc1 MC437715 [0,0,0,0,0,2|1,0,1]=4