0 B11R1.40 C#CC(O)CC1=CC=CC=C1 MC425691 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.40 CC(C#N)NC1=CC=CC=C1 MC428132 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.40 CCC(=O)CC1=CC=CC=C1 MC41289 [0,0,0,0,0,0|2,0,1]=3 3 B11R1.40 NC(CO)CC1=CC=CC=C1 CS21216 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.40 NC(CO)CC1=CC=CC=C1 MC425862 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.40 NNC(=O)CC1=CC=NC=C1 CS21751 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.40 O=C(CO)CC1=CC=CC=C1 MC107738 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.17 BrCCOC1=CC=CC=C1 MC20150 [1,0,0,0,0,0|3,0,0]=4 8 B10R1.17 Br[Zn]CCc1ccccc1 MC121341 [1,0,0,0,0,0|2,0,0]=3 9 B10R1.17 CNCCC1=CC=CC=C1 MC446670 [1,0,0,0,0,0|0,0,0]=1 10 B10R1.17 ClCCOC1=CC=CC=C1 MC33174 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.17 NCCCC1=CC=NC=C1 MC425564 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.17 NCCOC1=CC=CC=C1 CS20484 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.17 NOCCC1=CC=NC=C1 MC427573 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.17 OCCCC1=CC=NC=C1 CS22019 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.17 OCCOC1=CC=CC=C1 MC41398 [1,0,0,0,0,0|3,0,0]=4 16 B10R1.18 CC(=O)CC1=CC=CN=C1 MC102696 [1,0,0,0,0,0|2,0,1]=4 17 B10R1.18 CC(=O)CC1=CC=NC=C1 CS20988 [1,0,0,0,0,0|2,0,1]=4 18 B10R1.18 CC(=O)CC1=NC=CC=C1 CS20802 [1,0,0,0,0,0|2,0,1]=4 19 B10R1.18 CC(=O)NC1=CC=CC=C1 MC34102 [1,0,0,0,0,0|2,0,1]=4 20 B10R1.18 CC(Br)CC1=CC=CC=C1 MC41813 [1,0,0,0,0,0|1,0,0]=2 21 B10R1.18 CC(C)NC1=CC=CC=C1 CS11787 [1,0,0,0,0,0|1,0,0]=2 22 B10R1.18 CC(C)OC1=CC=CC=C1 MC41360 [1,0,0,0,0,0|1,0,0]=2 23 B10R1.18 FC(F)OC1=CC=CC=C1 MC41385 [1,0,0,0,0,0|3,0,0]=4 24 B10R1.18 FC(F)SC1=CC=CC=C1 MC428027 [1,0,0,0,0,0|3,0,0]=4 25 B10R1.18 NC(=O)NC1=CC=CC=C1 CS10533 [1,0,0,0,0,0|2,0,1]=4 26 B10R1.18 NC(=O)OC1=CC=CC=C1 MC428148 [1,0,0,0,0,0|2,0,1]=4 27 B10R1.18 O=C([O-])CC1=CC=CC=C1 MC34448 [1,0,0,0,0,0|2,0,1]=4 28 B12R1.32 CCNC(=S)NC1=CC=CC=C1 MC427354 [0,1,0,0,0,0|2,0,1]=4 29 B12R1.32 CN(CCO)CC1=CC=CC=C1 CS11755 [0,1,0,0,0,0|2,0,0]=3 30 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 CS13901 [0,1,0,0,0,0|2,0,1]=4 31 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 CS21181 [0,1,0,0,0,0|2,0,1]=4 32 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 CS18861 [0,1,0,0,0,0|2,0,1]=4 33 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 CS21098 [0,1,0,0,0,0|2,0,1]=4 34 B12R1.34 NC(CO)C(O)C1=CC=CC=C1 MC20366 [0,1,0,0,0,0|3,0,0]=4 35 B12R1.43 CC(NC1=CC=CC=C1)C(=O)O MC20809 [0,1,0,0,0,0|3,0,0]=4 36 B12R1.43 NC(=O)C(N)Cc1ccccc1 MC438079 [0,1,0,0,0,0|3,0,0]=4 37 B12R1.43 NC(=O)C(N)Cc1ccccc1 MC438080 [0,1,0,0,0,0|3,0,0]=4 38 B12R1.43 NC(=O)C(N)Cc1ccccc1 MC438081 [0,1,0,0,0,0|3,0,0]=4 39 B12R1.43 NC(=O)C(N)Cc1ccccc1 MC438082 [0,1,0,0,0,0|3,0,0]=4 40 B12R1.43 NC(CC1=CC=CC=C1)B(O)O MC442654 [0,1,0,0,0,0|3,0,0]=4 41 B12R1.43 NC(CC1=CC=CC=C1)B(O)O MC442683 [0,1,0,0,0,0|3,0,0]=4 42 B12R1.43 NC(CC1=CC=CC=C1)B(O)O MC442684 [0,1,0,0,0,0|3,0,0]=4 43 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O CS15443 [0,1,0,0,0,0|3,0,0]=4 44 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O CS18748 [0,1,0,0,0,0|3,0,0]=4 45 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O CS21178 [0,1,0,0,0,0|3,0,0]=4 46 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 CS15800 [0,1,0,0,0,0|3,0,0]=4 47 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 CS21095 [0,1,0,0,0,0|3,0,0]=4 48 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 MC438099 [0,1,0,0,0,0|3,0,0]=4 49 B12R1.49 COC(=O)CC1=CC=C(Br)C=C1 MC33263 [0,1,0,0,0,0|2,0,1]=4 50 B12R1.49 COC(=O)CC1=CC=C(C)C=C1 MC40116 [0,1,0,0,0,0|2,0,1]=4 51 B12R1.49 COC(=O)CC1=CC=C(Cl)C=C1 MC40088 [0,1,0,0,0,0|2,0,1]=4 52 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 CS21113 [0,1,0,0,0,0|2,0,1]=4 53 B12R1.49 NC(CO)CC1=CC=C(I)C=C1 MC115448 [0,1,0,0,0,0|3,0,0]=4 54 B12R1.49 NC(CO)Cc1ccc(O)cc1 MC439069 [0,1,0,0,0,0|3,0,0]=4 55 B12R1.50 CCC(C)OC1=CC=CC(O)=C1 MC112599 [0,1,0,0,0,0|2,0,0]=3 56 B12R1.50 COC(=O)CC1=CC(Br)=CC=C1 CS20169 [0,1,0,0,0,0|2,0,1]=4 57 B12R1.50 COC(=O)CC1=CC(F)=CC=C1 MC433952 [0,1,0,0,0,0|2,0,1]=4 58 B12R1.50 COC(=O)CC1=CC(N)=CC=C1 CS15979 [0,1,0,0,0,0|2,0,1]=4 59 B12R1.50 COC(=O)CC1=CC(N)=CC=C1 MC40063 [0,1,0,0,0,0|2,0,1]=4 60 B12R1.50 COC(=O)CC1=CC(O)=CC=C1 CS22324 [0,1,0,0,0,0|2,0,1]=4 61 B12R1.50 NC(CO)CC1=CC(F)=CC=C1 MC431472 [0,1,0,0,0,0|3,0,0]=4 62 B12R1.50 NNC(=O)CC1=CC(Br)=CC=C1 MC111969 [0,1,0,0,0,0|2,0,1]=4 63 B12R1.194 CNC(C)(C)CC1=CC=CC=C1 MC34003 [0,1,0,0,0,0|0,0,0]=1 64 B12R1.194 CNC(C)(C)CC1=CC=CC=C1 MC34004 [0,1,0,0,0,0|0,0,0]=1 65 B12R1.371 COC(=O)CC1=C(Br)C=CC=C1 CS11591 [0,1,0,0,0,0|2,0,1]=4 66 B12R1.371 COC(=O)CC1=C(Cl)C=CC=C1 CS21677 [0,1,0,0,0,0|2,0,1]=4 67 B12R1.371 COC(=O)CC1=C(N)C=CC=C1 CS11582 [0,1,0,0,0,0|2,0,1]=4 68 B12R1.371 COC(=O)CC1=C(O)C=CC=C1 CS20138 [0,1,0,0,0,0|2,0,1]=4 69 B12R2.18 CC1=CC2=CC=CC=C2N1C CS10010 [0,0,0,1,0,0|0,0,2]=3 70 B12R2.18 CC1CC2=CC=CC=C2C1=O MC446688 [0,0,0,1,0,0|2,0,0]=3 71 B12R2.18 CN1C(=O)OC2=C1C=CC=C2 MC10211 [0,0,0,1,0,0|2,0,1]=4 72 B12R2.18 CN1C(N)=CC2=CC=CC=C21 MC106654 [0,0,0,1,0,0|1,0,2]=4 73 B12R2.18 NC1C2=CC=CC=C2CC1O CS13576 [0,0,0,1,0,0|3,0,0]=4 74 B12R2.18 NC1C2=CC=CC=C2CC1O MC20312 [0,0,0,1,0,0|3,0,0]=4 75 B12R2.18 NC1CC2=CC=CC=C2C1O MC446701 [0,0,0,1,0,0|3,0,0]=4 76 B12R2.23 O=C1CCC1C2=CC=CC=C2 MC104226 [0,0,0,1,0,0|2,0,1]=4 77 B12R2.24 CC1CNC2=CC=CC=C2C1 MC33343 [0,0,0,1,0,0|2,0,0]=3 78 B12R2.24 CN1CCC2=CC=CC=C2C1 CS16157 [0,0,0,1,0,0|2,0,0]=3 79 B12R2.24 NC1CCC2=CC=CC=C2C1 CS18799 [0,0,0,1,0,0|2,0,0]=3 80 B12R2.24 NC1CCC2=CC=CC=C2C1 MC106682 [0,0,0,1,0,0|2,0,0]=3 81 B12R2.24 NC1CCC2=CC=CC=C2C1 MC106683 [0,0,0,1,0,0|2,0,0]=3 82 B12R2.24 NN1CCC2=CC=CC=C2C1 MC442441 [0,0,0,1,0,0|3,0,0]=4 83 B12R2.24 O=C1CCC2=C(C=CC=C2)C1 MC440135 [0,0,0,1,0,0|2,0,1]=4 84 B12R2.32 OCC1CC2=C(C=CC=C2)O1 CS21037 [0,0,0,1,0,0|3,0,0]=4 85 B12R2.32 OCC1CC2=CC=CC=C2N1 MC105284 [0,0,0,1,0,0|3,0,0]=4 86 B12R2.94 ClC1(SC2=CC=CC=C2)CC1 MC121263 [0,0,0,1,0,0|3,0,0]=4 87 B10R1.15 C=CC(N)C1=CC=CC=C1 MC102512 [0,0,0,0,1,0|2,0,1]=4 88 B10R1.15 CC(CN)C1=CC=CC=C1 CS10909 [0,0,0,0,1,0|2,0,0]=3 89 B10R1.15 CC(CN)c1ccccc1 MC110750 [0,0,0,0,1,0|2,0,0]=3 90 B10R1.15 CC(NO)c1ccccc1 MC103844 [0,0,0,0,1,0|1,0,0]=2 91 B10R1.15 CC(NO)c1ccccc1 MC103845 [0,0,0,0,1,0|1,0,0]=2 92 B10R1.15 CCC(C)C1=CC=CC=C1 CS11947 [0,0,0,0,1,0|1,0,0]=2 93 B10R1.15 CCC(C)C1=CC=CC=C1 MC433489 [0,0,0,0,1,0|1,0,0]=2 94 B10R1.15 CCC(N)C1=CC=CC=C1 MC20337 [0,0,0,0,1,0|2,0,0]=3 95 B10R1.15 CN(C=O)C1=CC=CC=C1 CS11793 [0,0,0,0,1,0|3,0,0]=4 96 B10R1.15 COC(=O)C1=CC=CC=C1 MC40065 [0,0,0,0,1,0|2,0,1]=4 97 B10R1.15 FC(CBr)C1=CC=CC=C1 MC102769 [0,0,0,0,1,0|3,0,0]=4 98 B10R1.15 N#CC(N)C1=CC=CC=C1 MC31161 [0,0,0,0,1,0|3,0,0]=4 99 B10R1.15 NC(CO)C1=CC=CC=C1 CS10553 [0,0,0,0,1,0|3,0,0]=4 100 B10R1.15 NC(CO)C1=CC=CC=C1 CS10555 [0,0,0,0,1,0|3,0,0]=4 101 B10R1.15 NC(CO)C1=CC=CC=C1 CS15860 [0,0,0,0,1,0|3,0,0]=4 102 B10R1.15 NCC(O)C1=CC=CC=C1 CS20485 [0,0,0,0,1,0|3,0,0]=4 103 B10R1.15 NCC(O)C1=CC=CC=C1 MC444625 [0,0,0,0,1,0|3,0,0]=4 104 B10R1.15 NNC(=O)C1=CC=CC=C1 CS10971 [0,0,0,0,1,0|2,0,1]=4 105 B10R1.15 OC(CBr)C1=CC=CC=C1 CS18840 [0,0,0,0,1,0|3,0,0]=4 106 B10R1.15 OCC(F)C1=CC=CC=C1 MC430923 [0,0,0,0,1,0|3,0,0]=4 107 B12R1.27 CC(CO)NCC1=CC=CC=C1 CS11754 [0,0,0,0,0,1|2,0,0]=3 108 B12R1.27 CC(CO)OCC1=CC=CC=C1 MC106974 [0,0,0,0,0,1|2,0,0]=3 109 B12R1.27 COC(=O)CCC1=CC=CC=C1 MC433965 [0,0,0,0,0,1|2,0,1]=4 110 B12R1.27 NNC(=O)OCC1=CC=CC=C1 CS20449 [0,0,0,0,0,1|2,0,1]=4 111 B12R1.27 NNC(=O)OCc1ccccc1 MC438484 [0,0,0,0,0,1|2,0,1]=4 112 B9R1.8 BrCCC1=CC=CC=C1 MC40571 [2,0,0,0,0,0|1,0,0]=3 113 B9R1.8 Br[Zn]Cc1ccccc1 MC121333 [2,0,0,0,0,0|2,0,0]=4 114 B9R1.8 CCCC1=CC=CN=C1 CS22402 [2,0,0,0,0,0|1,0,0]=3 115 B9R1.8 CCNC1=CC=CC=C1 MC40913 [2,0,0,0,0,0|1,0,0]=3 116 B9R1.8 CCOC1=NC=CC=C1 CS18732 [2,0,0,0,0,0|2,0,0]=4 117 B9R1.8 CNCC1=CC=CC=C1 MC10559 [2,0,0,0,0,0|0,0,0]=2 118 B9R1.8 CNCC1=CC=CC=C1 MC20323 [2,0,0,0,0,0|0,0,0]=2 119 B9R1.8 CNCC1=CC=CC=C1 MC21006 [2,0,0,0,0,0|0,0,0]=2 120 B9R1.8 CNCC1=CC=CN=C1 CS18846 [2,0,0,0,0,0|1,0,0]=3 121 B9R1.8 CNCC1=CN=CN=C1 MC103834 [2,0,0,0,0,0|2,0,0]=4 122 B9R1.8 COCC1=NC=CC=C1 CS20909 [2,0,0,0,0,0|2,0,0]=4 123 B9R1.8 ClCCC1=CC=CC=C1 MC40609 [2,0,0,0,0,0|1,0,0]=3 124 B9R1.8 ClCCC1=CC=NC=C1 CS17913 [2,0,0,0,0,0|2,0,0]=4 125 B9R1.8 FCCC1=CC=CC=C1 MC41557 [2,0,0,0,0,0|1,0,0]=3 126 B9R1.8 NCCC1=CC=CC=C1 MC40983 [2,0,0,0,0,0|0,0,0]=2 127 B9R1.8 NCCC1=CC=CN=C1 CS21892 [2,0,0,0,0,0|1,0,0]=3 128 B9R1.8 NCCC1=NC=CC=C1 CS14064 [2,0,0,0,0,0|1,0,0]=3 129 B9R1.8 NCCC1=NC=NC=C1 MC104796 [2,0,0,0,0,0|2,0,0]=4 130 B9R1.8 NNCC1=CC=CC=C1 CS11006 [2,0,0,0,0,0|1,0,0]=3 131 B9R1.8 NNCC1=CC=CC=C1 CS12127 [2,0,0,0,0,0|1,0,0]=3 132 B9R1.8 NNCC1=CC=CN=C1 MC111189 [2,0,0,0,0,0|2,0,0]=4 133 B9R1.8 NNCC1=CC=CN=C1 MC111240 [2,0,0,0,0,0|2,0,0]=4 134 B9R1.8 NNCC1=CC=NC=C1 MC111241 [2,0,0,0,0,0|2,0,0]=4 135 B9R1.8 NNCC1=NC=CC=C1 MC111239 [2,0,0,0,0,0|2,0,0]=4 136 B9R1.8 NOCC1=CC=CC=C1 CS14063 [2,0,0,0,0,0|1,0,0]=3 137 B9R1.8 OCCC1=CC=CC=C1 MC40745 [2,0,0,0,0,0|1,0,0]=3 138 B9R1.8 ONCC1=CC=CC=C1 CS11753 [2,0,0,0,0,0|1,0,0]=3 139 B11R1.1 CCOCC1=CC=C(O)C=C1 CS16541 [1,1,0,0,0,0|2,0,0]=4 140 B11R1.1 CNCCC1=CC=C(N)C=C1 MC40974 [1,1,0,0,0,0|0,0,0]=2 141 B11R1.1 CNCCC1=CC=C(O)C=C1 MC426074 [1,1,0,0,0,0|0,0,0]=2 142 B11R1.1 CNCCC1=NC=C(F)C=C1 MC431885 [1,1,0,0,0,0|1,0,0]=3 143 B11R1.1 COCCC1=CC=C(O)C=C1 MC445496 [1,1,0,0,0,0|1,0,0]=3 144 B11R1.1 FC1=CC=C(CCCBr)C=C1 MC113691 [1,1,0,0,0,0|2,0,0]=4 145 B11R1.16 CNCC(C)C1=CC=CC=C1 MC446681 [1,1,0,0,0,0|0,0,0]=2 146 B11R1.16 CNCC(O)C1=CC=CC=C1 MC446674 [1,1,0,0,0,0|0,0,0]=2 147 B11R1.16 NC(CCO)C1=CC=CC=C1 CS18735 [1,1,0,0,0,0|2,0,0]=4 148 B11R1.16 NC(CCO)C1=CC=CC=C1 CS21217 [1,1,0,0,0,0|2,0,0]=4 149 B11R1.16 OC(CCCl)C1=CC=CC=C1 CS10897 [1,1,0,0,0,0|2,0,0]=4 150 B11R1.16 OC(CCCl)C1=CC=CC=C1 CS22197 [1,1,0,0,0,0|2,0,0]=4 151 B11R1.16 OC(CCCl)C1=CC=CC=C1 MC20313 [1,1,0,0,0,0|2,0,0]=4 152 B11R1.17 CCCOC1=C(O)C=CC=C1 MC20673 [1,1,0,0,0,0|2,0,0]=4 153 B11R1.17 O=CCCC1=C(Cl)C=CC=C1 MC106741 [1,1,0,0,0,0|2,0,0]=4 154 B11R1.28 BrCCCOC1=CC=CC=C1 CS15031 [1,1,0,0,0,0|2,0,0]=4 155 B11R1.28 BrCCOCC1=CC=CC=C1 CS10998 [1,1,0,0,0,0|2,0,0]=4 156 B11R1.28 C=CCOCC1=CC=CC=C1 MC425090 [1,1,0,0,0,0|1,0,1]=4 157 B11R1.28 CNCCCC1=CC=CC=C1 MC425598 [1,1,0,0,0,0|0,0,0]=2 158 B11R1.28 CNCCCC1=NC=CC=C1 MC430496 [1,1,0,0,0,0|1,0,0]=3 159 B11R1.28 N#CCNCC1=CC=CC=C1 MC442440 [1,1,0,0,0,0|2,0,0]=4 160 B11R1.28 NCCOCC1=CC=CC=C1 CS20892 [1,1,0,0,0,0|2,0,0]=4 161 B11R1.28 O=CCOCC1=CC=CC=C1 MC429084 [1,1,0,0,0,0|2,0,0]=4 162 B11R1.28 OCCCCC1=CC=CC=C1 CS11170 [1,1,0,0,0,0|1,0,0]=3 163 B11R1.28 OCCCCC1=CC=NC=C1 CS13477 [1,1,0,0,0,0|2,0,0]=4 164 B11R1.28 OCCOCC1=CC=CC=C1 MC20071 [1,1,0,0,0,0|2,0,0]=4 165 B11R1.91 CC(=O)COC1=CC=CC=C1 MC433248 [1,1,0,0,0,0|2,0,0]=4 166 B11R1.91 CN(C)CCC1=CC=CC=C1 MC446671 [1,1,0,0,0,0|0,0,0]=2 167 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 CS20444 [1,1,0,0,0,0|1,0,1]=4 168 B11R1.20 CC(=O)CC1=CC=C(Cl)C=C1 MC10315 [1,1,0,0,0,0|1,0,1]=4 169 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 CS22844 [1,1,0,0,0,0|1,0,1]=4 170 B11R1.20 CC(C)CC1=CC=C(Br)C=C1 MC433485 [1,1,0,0,0,0|0,0,0]=2 171 B11R1.20 CC(C)NC1=CC=C(Br)C=C1 MC443740 [1,1,0,0,0,0|1,0,0]=3 172 B11R1.20 CC(C)NC1=CC=C(F)C=C1 CS22842 [1,1,0,0,0,0|1,0,0]=3 173 B11R1.20 CC(C)OC1=CC=C(N)C=C1 CS10912 [1,1,0,0,0,0|1,0,0]=3 174 B11R1.20 CC(C)OC1=CC=C(O)C=C1 MC443483 [1,1,0,0,0,0|1,0,0]=3 175 B11R1.20 CC(C)OC1=CN=C(Br)C=C1 MC443766 [1,1,0,0,0,0|2,0,0]=4 176 B11R1.20 CC(C)SC1=CC=C(O)C=C1 MC112512 [1,1,0,0,0,0|1,0,0]=3 177 B11R1.36 CC(Br)C(=O)C1=CC=CC=C1 MC443670 [1,1,0,0,0,0|1,0,1]=4 178 B11R1.36 CC(C)C(=O)C1=CC=CN=C1 MC429968 [1,1,0,0,0,0|1,0,1]=4 179 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 CS15488 [1,1,0,0,0,0|1,0,1]=4 180 B11R1.36 NC(=O)C(N)c1ccccc1 MC438104 [1,1,0,0,0,0|1,0,1]=4 181 B11R1.86 CC(=O)CC1=C(Cl)C=CC=C1 MC10294 [1,1,0,0,0,0|1,0,1]=4 182 B11R1.86 CC(=O)CC1=C(F)C=CC=C1 MC10318 [1,1,0,0,0,0|1,0,1]=4 183 B11R1.86 CC(C)OC1=C(N)C=CC=C1 CS13469 [1,1,0,0,0,0|1,0,0]=3 184 B11R1.86 CC(C)OC1=NC=CC=C1Cl MC103348 [1,1,0,0,0,0|2,0,0]=4 185 B11R1.157 CC(=O)CC1=CC(Br)=CC=C1 CS22187 [1,1,0,0,0,0|1,0,1]=4 186 B11R1.157 CC(C)CC1=CC=CC(Br)=C1 MC443308 [1,1,0,0,0,0|0,0,0]=2 187 B11R1.157 CC(C)OC1=CC(Br)=NC=C1 MC430482 [1,1,0,0,0,0|2,0,0]=4 188 B11R1.157 CC(C)OC1=CC=CC(Br)=N1 MC431254 [1,1,0,0,0,0|2,0,0]=4 189 B11R1.157 CC(C)OC1=CC=CC(O)=C1 MC112598 [1,1,0,0,0,0|1,0,0]=3 190 B11R1.157 CN(C)CC1=CC=CC(O)=C1 MC425485 [1,1,0,0,0,0|1,0,0]=3 191 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 CS11014 [1,1,0,0,0,0|1,0,0]=3 192 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 MC20424 [1,1,0,0,0,0|1,0,0]=3 193 B11R1.509 NS(=O)(=O)CC1=CC=CC=C1 CS20418 [1,1,0,0,0,0|2,0,0]=4 194 B11R1.7 C#CC(C)(O)C1=CC=CC=C1 MC425780 [0,1,0,0,1,0|1,0,1]=4 195 B11R1.12 CCP(CC)c1ccccc1 MC444851 [0,1,0,0,1,0|2,0,0]=4 196 B11R1.12 CNC(CO)C1=CC=CC=C1 CS17955 [0,1,0,0,1,0|0,0,0]=2 197 B11R1.12 COC(OC)c1ccccc1 CS10959 [0,1,0,0,1,0|1,0,0]=3 198 B11R1.12 COP(OC)C1=CC=CC=C1 MC444856 [0,1,0,0,1,0|2,0,0]=4 199 B11R1.12 NCC(CO)C1=CC=CC=C1 MC105854 [0,1,0,0,1,0|2,0,0]=4 200 B11R1.12 NCC(CO)C1=CC=CC=C1 MC105855 [0,1,0,0,1,0|2,0,0]=4 201 B11R1.12 OCC(CO)C1=CC=CC=C1 CS21198 [0,1,0,0,1,0|2,0,0]=4 202 B11R1.22 CC(C#N)C1=CC=C(Br)C=C1 MC427374 [0,1,0,0,1,0|2,0,0]=4 203 B11R1.22 CC(CN)C1=CC=C(Br)C=C1 MC103018 [0,1,0,0,1,0|2,0,0]=4 204 B11R1.22 CC(CN)C1=CC=C(Br)C=C1 MC427281 [0,1,0,0,1,0|2,0,0]=4 205 B11R1.22 CC(CN)C1=CC=C(O)C=C1 MC116255 [0,1,0,0,1,0|2,0,0]=4 206 B11R1.22 CC(NN)C1=CC=C(Cl)C=C1 MC110625 [0,1,0,0,1,0|1,0,0]=3 207 B11R1.22 CCC(C)C1=CC=C(Br)C=C1 CS18281 [0,1,0,0,1,0|1,0,0]=3 208 B11R1.222 CC(CO)C1=C(Cl)C=CC=C1 MC111290 [0,1,0,0,1,0|2,0,0]=4 209 B11R1.222 CCC(C)C1=C(N)C=CC=C1 CS21765 [0,1,0,0,1,0|1,0,0]=3 210 B11R1.222 CCC(N)C1=C(C)C=CC=C1 CS14530 [0,1,0,0,1,0|2,0,0]=4 211 B11R1.222 CNC(=O)C1=C(N)C=CC=C1 CS20442 [0,1,0,0,1,0|1,0,1]=4 212 B11R1.222 CNC(=O)C1=C(S)C=CC=C1 MC42220 [0,1,0,0,1,0|1,0,1]=4 213 B13R1.42 CNCC(=O)OCc1ccccc1 MC438153 [0,1,0,0,0,1|1,0,1]=4 214 B13R1.351 CC(OCC1=CC=CC=C1)C(=O)O CS17364 [0,1,0,0,0,1|2,0,0]=4 215 B13R1.351 CN(N)C(=O)OCC1=CC=CC=C1 CS15331 [0,1,0,0,0,1|1,0,1]=4 216 B13R1.21 CNC(C)C(=O)C1=CC=C(C)C=C1 MC426128 [0,2,0,0,0,0|0,0,1]=3 217 B13R1.263 CC(C)(CO)C(N)C1=CC=CC=C1 MC115534 [0,2,0,0,0,0|2,0,0]=4 218 B13R1.263 CC(C)(CO)C(N)C1=CC=CC=C1 MC115535 [0,2,0,0,0,0|2,0,0]=4 219 B13R1.263 CC(C)(CO)C(O)C1=CC=CC=C1 MC102537 [0,2,0,0,0,0|2,0,0]=4 220 B13R1.263 CC(C)(CO)C(O)C1=CC=CC=C1 MC115613 [0,2,0,0,0,0|2,0,0]=4 221 B13R1.418 CNC(CC1=CC=CC=C1)C(=O)O CS17818 [0,2,0,0,0,0|0,0,1]=3 222 B13R1.418 CNC(Cc1ccccc1)C(=O)O MC437926 [0,2,0,0,0,0|0,0,1]=3 223 B13R1.1073 CC(=O)C(C)(O)CC1=CC=CC=C1 MC106869 [0,2,0,0,0,0|1,0,0]=3 224 B13R1.1073 CC(N)(Cc1ccccc1)C(=O)O MC437929 [0,2,0,0,0,0|2,0,0]=4 225 B13R1.1073 CC(N)(Cc1ccccc1)C(=O)O MC437930 [0,2,0,0,0,0|2,0,0]=4 226 B13R1.1073 CC(N)(Cc1ccccc1)C(=O)O MC437931 [0,2,0,0,0,0|2,0,0]=4 227 B13R1.145 CCN(CC)CC1=CC=C(N)C=C1 MC443196 [0,2,0,0,0,0|2,0,0]=4 228 B13R1.249 CNS(=O)(=O)CC1=CC=C(N)C=C1 CS10561 [0,2,0,0,0,0|2,0,0]=4 229 B11R2.1 CC1=CCC2=CC=CC=C12 MC106180 [1,0,0,1,0,0|1,0,1]=4 230 B11R2.1 CN1C=CC2=CC=CC=C21 CS11026 [1,0,0,1,0,0|0,0,2]=4 231 B11R2.1 NC1CCC2=CC=CC=C21 CS16005 [1,0,0,1,0,0|2,0,0]=4 232 B11R2.1 NC1CCC2=CC=CC=C21 CS19275 [1,0,0,1,0,0|2,0,0]=4 233 B11R2.1 NC1CCC2=CC=CC=C21 CS19803 [1,0,0,1,0,0|2,0,0]=4 234 B11R2.1 NC1CCC2=CC=CC=C21 CS20307 [1,0,0,1,0,0|2,0,0]=4 235 B11R2.1 NC1CCC2=CC=CC=C21 MC425841 [1,0,0,1,0,0|2,0,0]=4 236 B11R2.1 O=C1CCC2=CC=CC=C12 CS18668 [1,0,0,1,0,0|2,0,0]=4 237 B11R2.4 NC1CC1C2=CC=CC=C2 MC100890 [1,0,0,1,0,0|2,0,0]=4 238 B11R2.4 NC1CC1C2=CC=CC=C2 MC106461 [1,0,0,1,0,0|2,0,0]=4 239 B11R2.20 C1=CC2=C(CCCC2)N=C1 CS13407 [1,0,0,1,0,0|2,0,0]=4 240 B11R2.20 C1=CC2=C(CCNC2)N=C1 CS14841 [1,0,0,1,0,0|1,0,0]=3 241 B11R2.20 C1=CC2=C(CNCC2)N=C1 MC104317 [1,0,0,1,0,0|1,0,0]=3 242 B11R2.20 C1=CC2=C(CNCC2)N=C1 MC431486 [1,0,0,1,0,0|1,0,0]=3 243 B11R2.20 C1=CC=C2CC=CCC2=C1 CS11050 [1,0,0,1,0,0|1,0,1]=4 244 B11R2.20 C1=CC=C2CNCCC2=C1 CS19412 [1,0,0,1,0,0|0,0,0]=2 245 B11R2.20 C1=CC=C2COCCC2=C1 CS19933 [1,0,0,1,0,0|1,0,0]=3 246 B11R2.20 C1=NC=C2CCNCC2=C1 CS15863 [1,0,0,1,0,0|1,0,0]=3 247 B11R2.20 C1=NC=C2CCNCC2=C1 MC115896 [1,0,0,1,0,0|1,0,0]=3 248 B11R2.20 C1=NC=C2CNCCC2=C1 CS17812 [1,0,0,1,0,0|1,0,0]=3 249 B11R2.20 C1=NC=C2CNCCC2=C1 MC113298 [1,0,0,1,0,0|1,0,0]=3 250 B11R2.20 C1=NC=NC2=C1CCNC2 MC103871 [1,0,0,1,0,0|2,0,0]=4 251 B11R2.20 C1=NC=NC2=C1CNCC2 CS11914 [1,0,0,1,0,0|2,0,0]=4 252 B11R2.20 C1=NC=NC2=C1CNCC2 CS15273 [1,0,0,1,0,0|2,0,0]=4 253 B11R2.238 C1=CC=C(CC2CN2)C=C1 CS19482 [1,0,0,1,0,0|0,0,0]=2 254 B11R2.238 C1=CC=C(SC2CC2)C=C1 MC20576 [1,0,0,1,0,0|2,0,0]=4 255 B11R2.239 C1=CC(C2CNC2)=NC=N1 MC116097 [1,0,0,1,0,0|2,0,0]=4 256 B11R2.10 CC1=CC2=CC=CC=C2C1 CS11052 [1,0,0,1,0,0|0,0,2]=4 257 B11R2.10 CC1=CC2=CC=CC=C2N1 CS18563 [1,0,0,1,0,0|0,0,2]=4 258 B11R2.10 CC1=NC2=C(C=CC=C2)N1 CS15288 [1,0,0,1,0,0|1,0,1]=4 259 B11R2.10 CC1CC2=CC=CC=C2N1 MC105455 [1,0,0,1,0,0|0,0,0]=2 260 B11R2.10 CC1CC2=CC=CC=C2N1 MC445120 [1,0,0,1,0,0|0,0,0]=2 261 B11R2.10 NC1CC2=CC=CC=C2C1 CS19882 [1,0,0,1,0,0|0,0,0]=2 262 B11R2.10 NN1CC2=CC=CC=C2C1 MC442461 [1,0,0,1,0,0|1,0,0]=3 263 B11R2.10 O=C1CC2=CC=CC=C2C1 CS16080 [1,0,0,1,0,0|1,0,1]=4 264 B11R2.10 O=C1CC2=CC=CC=C2N1 CS15184 [1,0,0,1,0,0|1,0,1]=4 265 B11R2.10 OC1CC2=CC=CC=C2C1 CS21608 [1,0,0,1,0,0|1,0,0]=3 266 B11R2.10 ON1CC2=CC=CC=C2C1 MC41790 [1,0,0,1,0,0|2,0,0]=4 267 B11R2.40 NC1(C2=CC=CC=C2)CC1 MC425296 [0,0,0,1,1,0|2,0,0]=4 268 B13R2.10 O=C1CC(C2=CC=CC=C2)CN1 CS13543 [0,0,0,1,0,1|1,0,1]=4 269 B13R2.57 NCC1CC2=CC=CC=C2CN1 MC431478 [0,0,0,1,0,1|2,0,0]=4 270 B13R2.57 OCC1CC2=CC=CC=C2CN1 CS10025 [0,0,0,1,0,1|2,0,0]=4 271 B13R2.2383 C1=CC=C(COC2CNC2)C=C1 MC107180 [0,0,0,1,0,1|2,0,0]=4 272 B13R2.2383 C1=CC=C(OCC2CNC2)C=C1 MC112095 [0,0,0,1,0,1|2,0,0]=4 273 B13R2.15 OC1CNCC1C2=CC=CC=C2 MC101965 [0,1,0,1,0,0|1,0,0]=3 274 B13R2.64 C1=CC=C(CN2CCCC2)C=C1 MC33310 [0,1,0,1,0,0|2,0,0]=4 275 B13R2.64 C1=CN=C(OC2CCNC2)C=C1 MC106938 [0,1,0,1,0,0|2,0,0]=4 276 B13R2.64 C1=CN=CC(OC2CCNC2)=C1 MC431348 [0,1,0,1,0,0|2,0,0]=4 277 B13R2.221 NC1(CC2=CC=CC=C2)COC1 MC103534 [0,1,0,1,0,0|2,0,0]=4 278 B13R2.328 NC1CC2=CC=CC=C2N(O)C1 MC31043 [0,1,0,1,0,0|2,0,0]=4 279 B13R2.45 CN1C(CBr)=NC2=C1C=CC=C2 CS13411 [0,1,0,1,0,0|1,0,1]=4 280 B13R2.45 CN1C(CO)=CC2=CC=CC=C21 MC425400 [0,1,0,1,0,0|0,0,2]=4 281 B13R2.423 O=[N+]([O-])C1CC1C2=CC=CC=C2 MC106452 [0,1,0,1,0,0|1,0,1]=4 282 B13R2.435 CC(=O)C1CC2=CC=CC=C2C1 MC41739 [0,1,0,1,0,0|1,0,0]=3 283 B13R2.3028 CC1Cc2ccc(F)cc2C1=O MC30019 [0,1,0,1,0,0|2,0,0]=4 284 B13R2.3683 O=C1CC2=CC=C(Br)C=C2CN1 CS12768 [0,1,0,1,0,0|1,0,1]=4 285 B13R2.155 CN1CCc2ccc(N)cc2C1 MC103446 [0,1,0,1,0,0|2,0,0]=4 286 B13R2.155 NC1CCC2=CC=C(O)C=C2C1 MC444617 [0,1,0,1,0,0|2,0,0]=4 287 B13R2.5190 CC1CC2=CC(F)=CC=C2C1=O MC446699 [0,1,0,1,0,0|2,0,0]=4 288 B13R2.222 O=S1(=O)CC2=C(C=CC=C2)CN1 MC111723 [0,1,0,1,0,0|2,0,0]=4 289 B9R1.12 CCCCC1C=CC=C1 MC114482 [1,0,0,0,1,0|1,0,1]=4 290 B9R1.6 CC(=O)C1=CC=CC=C1 MC41221 [1,0,0,0,1,0|1,0,1]=4 291 B9R1.6 CC(Br)C1=CC=CC=C1 MC40570 [1,0,0,0,1,0|1,0,0]=3 292 B9R1.6 CC(C)C1=NC=CC=C1 CS21621 [1,0,0,0,1,0|1,0,0]=3 293 B9R1.6 CC(N)C1=CC=CC=C1 CS10551 [1,0,0,0,1,0|0,0,0]=2 294 B9R1.6 CC(N)C1=CC=CC=C1 MC20344 [1,0,0,0,1,0|0,0,0]=2 295 B9R1.6 CC(N)C1=CN=CN=C1 MC102354 [1,0,0,0,1,0|2,0,0]=4 296 B9R1.6 CC(N)C1=CN=CN=C1 MC104062 [1,0,0,0,1,0|2,0,0]=4 297 B9R1.6 CC(N)C1=CN=CN=C1 MC105298 [1,0,0,0,1,0|2,0,0]=4 298 B9R1.6 CC(N)C1=CN=NC=C1 MC103837 [1,0,0,0,1,0|2,0,0]=4 299 B9R1.6 CC(N)C1=NC=CC=C1 CS15370 [1,0,0,0,1,0|1,0,0]=3 300 B9R1.6 CC(N)C1=NC=CC=C1 CS20271 [1,0,0,0,1,0|1,0,0]=3 301 B9R1.6 CC(N)C1=NC=CC=N1 MC431305 [1,0,0,0,1,0|2,0,0]=4 302 B9R1.6 CC(N)C1=NC=CN=C1 CS12997 [1,0,0,0,1,0|2,0,0]=4 303 B9R1.6 CC(N)C1=NC=NC=C1 MC103926 [1,0,0,0,1,0|2,0,0]=4 304 B9R1.6 CC(O)C1=CC=CC=C1 MC20383 [1,0,0,0,1,0|1,0,0]=3 305 B9R1.6 CC(O)C1=NC=CC=C1 CS20801 [1,0,0,0,1,0|2,0,0]=4 306 B9R1.6 CC(O)C1=NC=CC=C1 MC20310 [1,0,0,0,1,0|2,0,0]=4 307 B9R1.6 CN(C)C1=CC=CC=C1 MC40906 [1,0,0,0,1,0|1,0,0]=3 308 B9R1.6 CN(C)C1=CC=NC=C1 CS13386 [1,0,0,0,1,0|2,0,0]=4 309 B9R1.6 C[PH](=O)C1=CC=CC=C1 CS16386 [1,0,0,0,1,0|2,0,0]=4 310 B9R1.6 ClC(Cl)C1=CC=CC=C1 MC40608 [1,0,0,0,1,0|2,0,0]=4 311 B9R1.6 FC(F)C1=CC=CC=C1 MC41442 [1,0,0,0,1,0|2,0,0]=4 312 B9R1.6 N=C(N)C1=CC=CC=C1 CS14830 [1,0,0,0,1,0|1,0,1]=4 313 B9R1.6 NC(=O)C1=CC=CC=C1 CS10962 [1,0,0,0,1,0|1,0,1]=4 314 B9R1.6 NC(=S)C1=CC=CC=C1 MC20863 [1,0,0,0,1,0|1,0,1]=4 315 B9R1.13 CC(C)CC1=NC=CS1 CS10134 [1,0,0,0,1,0|2,0,0]=4 316 B9R1.13 CC(N)CC1=CC=CO1 MC431346 [1,0,0,0,1,0|1,0,0]=3 317 B13R1.718 CC(CN)COCC1=CC=CC=C1 MC103315 [0,0,0,0,0,2|2,0,0]=4