0 B11R1.40 CC(C#N)NC1=CC=CC=C1 SY027832 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.40 COC(=O)CC1=CC=CN=C1 SY014800 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.40 COC(=O)CC1=CC=CN=C1 SY033634 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.40 COC(=O)CC1=CC=NC=C1 SY003565 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.40 COC(=O)CC1=CC=NC=C1 SY007994 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.40 COC(=O)CC1=NC=CC=C1 SY030291 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.40 N#CC(=O)CC1=CC=CC=C1 SY235509 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.40 NC(CF)CC1=CC=CC=C1 SY045874 [0,0,0,0,0,0|3,0,0]=3 8 B11R1.40 NC(CO)CC1=CC=CC=C1 SY030554 [0,0,0,0,0,0|3,0,0]=3 9 B11R1.40 NNC(=O)CC1=CC=CC=C1 SY032275 [0,0,0,0,0,0|2,0,1]=3 10 B11R1.40 NNC(=O)OC1=CC=CC=C1 SY262826 [0,0,0,0,0,0|3,0,1]=4 11 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 SY013878 [0,0,0,0,0,0|3,0,0]=3 12 B11R1.40 N[C@H](CF)CC1=CC=CC=C1 SY045873 [0,0,0,0,0,0|3,0,0]=3 13 B11R1.40 ON=C(Cl)CC1=CC=CC=C1 SY039705 [0,0,0,0,0,0|2,0,2]=4 14 B10R1.17 BrCCCC1=CC=CC=C1 SY046253 [1,0,0,0,0,0|2,0,0]=3 15 B10R1.17 C#CCNC1=CC=CC=C1 SY299987 [1,0,0,0,0,0|2,0,1]=4 16 B10R1.17 C#CCOC1=CC=CC=C1 SY048247 [1,0,0,0,0,0|2,0,1]=4 17 B10R1.17 C1=CC=CC=C1CCC#N SY246292 [1,0,0,0,0,0|2,0,0]=3 18 B10R1.17 C=COCC1=CC=CC=C1 SY097145 [1,0,0,0,0,0|2,0,1]=4 19 B10R1.17 CCC#CC1=CC=CC=C1 SY049474 [1,0,0,0,0,0|1,0,2]=4 20 B10R1.17 CCCC[N+]1=CC=CC=C1 SY023279 [1,0,0,0,0,0|2,0,0]=3 21 B10R1.17 CCCC[N+]1=CC=CC=C1 SY033834 [1,0,0,0,0,0|2,0,0]=3 22 B10R1.17 CCNCC1=CC=CN=C1 SY005910 [1,0,0,0,0,0|3,0,0]=4 23 B10R1.17 CCNCC1=CC=NC=C1 SY009304 [1,0,0,0,0,0|3,0,0]=4 24 B10R1.17 CCNCC1=NC=CC=C1 SY005911 [1,0,0,0,0,0|3,0,0]=4 25 B10R1.17 CNCCC1=CC=CC=C1 SY002512 [1,0,0,0,0,0|0,0,0]=1 26 B10R1.17 ClCCCC1=CC=CC=C1 SY048978 [1,0,0,0,0,0|2,0,0]=3 27 B10R1.17 ClCCOC1=CC=CC=C1 SY033599 [1,0,0,0,0,0|3,0,0]=4 28 B10R1.17 ClCOCC1=CC=CC=C1 SY003069 [1,0,0,0,0,0|3,0,0]=4 29 B10R1.17 ICCCC1=CC=CC=C1 SY249461 [1,0,0,0,0,0|2,0,0]=3 30 B10R1.17 ICCCC1=CC=CN=C1 SY250698 [1,0,0,0,0,0|3,0,0]=4 31 B10R1.17 N#CCOC1=CC=CC=C1 SY005439 [1,0,0,0,0,0|3,0,0]=4 32 B10R1.17 NCCCC1=CC=CC=C1 SY049659 [1,0,0,0,0,0|2,0,0]=3 33 B10R1.17 NCCCC1=CC=CN=C1 SY022422 [1,0,0,0,0,0|3,0,0]=4 34 B10R1.17 NCCCC1=CC=NC=C1 SY022421 [1,0,0,0,0,0|3,0,0]=4 35 B10R1.17 NCCCC1=NC=CC=C1 SY022423 [1,0,0,0,0,0|3,0,0]=4 36 B10R1.17 NCCNC1=CC=CC=C1 SY009366 [1,0,0,0,0,0|3,0,0]=4 37 B10R1.17 NCCOC1=CC=CC=C1 SY004523 [1,0,0,0,0,0|3,0,0]=4 38 B10R1.17 NNCCC1=CC=CC=C1 SY048081 [1,0,0,0,0,0|1,0,0]=2 39 B10R1.17 NOCCC1=CC=CC=C1 SY114401 [1,0,0,0,0,0|2,0,0]=3 40 B10R1.17 NOCCC1=CC=CC=C1 SY281546 [1,0,0,0,0,0|2,0,0]=3 41 B10R1.17 OCCCC1=CC=CC=C1 SY003672 [1,0,0,0,0,0|2,0,0]=3 42 B10R1.17 OCCCC1=CC=CN=C1 SY129435 [1,0,0,0,0,0|3,0,0]=4 43 B10R1.17 OCCCC1=CC=NC=C1 SY003677 [1,0,0,0,0,0|3,0,0]=4 44 B10R1.17 OCCCC1=NC=CC=C1 SY023125 [1,0,0,0,0,0|3,0,0]=4 45 B10R1.18 CC(=O)CC1=CC=NC=C1 SY002437 [1,0,0,0,0,0|2,0,1]=4 46 B10R1.18 CC(=O)CC1=CC=NC=C1 SY005221 [1,0,0,0,0,0|2,0,1]=4 47 B10R1.18 CC(=O)CC1=NC=CC=C1 SY002438 [1,0,0,0,0,0|2,0,1]=4 48 B10R1.18 CC(C)=CC1=CC=CC=C1 SY055240 [1,0,0,0,0,0|0,0,2]=3 49 B10R1.18 CC(C)CC1=CC=NC=C1 SY028398 [1,0,0,0,0,0|1,0,0]=2 50 B10R1.18 CC(O)CC1=CC=CC=C1 SY051093 [1,0,0,0,0,0|1,0,0]=2 51 B10R1.18 FC(F)CC1=CC=CC=C1 SY265774 [1,0,0,0,0,0|2,0,0]=3 52 B10R1.18 N=C(N)NC1=CC=CC=C1 SY059286 [1,0,0,0,0,0|2,0,1]=4 53 B10R1.18 NC(=O)CC1=CC=CC=C1 SY017094 [1,0,0,0,0,0|1,0,1]=3 54 B10R1.18 NC(=O)OC1=CC=CC=C1 SY109407 [1,0,0,0,0,0|2,0,1]=4 55 B12R1.32 C#CCN(C)CC1=CC=CC=C1 SY005867 [0,1,0,0,0,0|2,0,1]=4 56 B12R1.32 CN(CCCl)CC1=CC=CC=C1 SY011648 [0,1,0,0,0,0|2,0,0]=3 57 B12R1.32 CN(CCO)CC1=CC=CC=C1 SY025492 [0,1,0,0,0,0|2,0,0]=3 58 B12R1.34 CC(C(=O)NN)C1=CC=CC=C1 SY263061 [0,1,0,0,0,0|2,0,1]=4 59 B12R1.34 CCC(C)C(N)C1=CC=CC=C1 SY040748 [0,1,0,0,0,0|1,0,0]=2 60 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 SY113594 [0,1,0,0,0,0|2,0,1]=4 61 B12R1.34 COC(=O)[C@@H](O)C1=CC=CC=C1 SY003754 [0,1,0,0,0,0|2,0,1]=4 62 B12R1.34 COC(=O)[C@H](N)C1=CC=CC=C1 SY020988 [0,1,0,0,0,0|2,0,1]=4 63 B12R1.34 COC(=O)[C@H](O)C1=CC=CC=C1 SY003762 [0,1,0,0,0,0|2,0,1]=4 64 B12R1.34 CON(C)C(=O)C1=CC=CC=C1 SY052485 [0,1,0,0,0,0|2,0,1]=4 65 B12R1.34 NNC(=O)[C@H](O)C1=CC=CC=C1 SY017161 [0,1,0,0,0,0|2,0,1]=4 66 B12R1.34 OCC(Br)C(Br)C1=CC=CC=C1 SY037173 [0,1,0,0,0,0|3,0,0]=4 67 B12R1.43 CC(CC1=CC=CC=C1)C(=O)O SY185587 [0,1,0,0,0,0|2,0,0]=3 68 B12R1.43 CC(N)C(=O)CC1=CC=CC=C1 SY147169 [0,1,0,0,0,0|2,0,1]=4 69 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 SY009482 [0,1,0,0,0,0|3,0,0]=4 70 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 SY036427 [0,1,0,0,0,0|3,0,0]=4 71 B12R1.43 NC(=O)[C@H](N)CC1=CC=CC=C1 SY034084 [0,1,0,0,0,0|3,0,0]=4 72 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O SY001531 [0,1,0,0,0,0|3,0,0]=4 73 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O SY005120 [0,1,0,0,0,0|3,0,0]=4 74 B12R1.43 O=C(O)C(Br)CC1=CC=CC=C1 SY103074 [0,1,0,0,0,0|3,0,0]=4 75 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 SY036063 [0,1,0,0,0,0|3,0,0]=4 76 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 SY020879 [0,1,0,0,0,0|3,0,0]=4 77 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 SY021341 [0,1,0,0,0,0|3,0,0]=4 78 B12R1.49 COC(=O)CC1=CC=C(Br)C=C1 SY021204 [0,1,0,0,0,0|2,0,1]=4 79 B12R1.49 COC(=O)CC1=CC=C(C)C=C1 SY052935 [0,1,0,0,0,0|2,0,1]=4 80 B12R1.49 COC(=O)CC1=CC=C(Cl)C=C1 SY051360 [0,1,0,0,0,0|2,0,1]=4 81 B12R1.49 COC(=O)CC1=CC=C(F)C=C1 SY041951 [0,1,0,0,0,0|2,0,1]=4 82 B12R1.49 COC(=O)CC1=CC=C(I)C=C1 SY041745 [0,1,0,0,0,0|2,0,1]=4 83 B12R1.49 COC(=O)CC1=CC=C(N)C=C1 SY100571 [0,1,0,0,0,0|2,0,1]=4 84 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 SY001844 [0,1,0,0,0,0|2,0,1]=4 85 B12R1.49 NC(CO)CC1=CC=C(Cl)C=C1 SY022058 [0,1,0,0,0,0|3,0,0]=4 86 B12R1.49 NC(CO)CC1=CC=C(Cl)C=C1 SY107318 [0,1,0,0,0,0|3,0,0]=4 87 B12R1.49 N[C@@H](CO)CC1=CC=C(Cl)C=C1 SY285307 [0,1,0,0,0,0|3,0,0]=4 88 B12R1.49 N[C@H](CO)CC1=CC=C(Cl)C=C1 SY285313 [0,1,0,0,0,0|3,0,0]=4 89 B12R1.50 COC(=O)CC1=CC(Br)=CC=C1 SY004524 [0,1,0,0,0,0|2,0,1]=4 90 B12R1.50 COC(=O)CC1=CC=CC(Cl)=C1 SY053038 [0,1,0,0,0,0|2,0,1]=4 91 B12R1.50 COC(=O)CC1=CC=CC(F)=C1 SY051263 [0,1,0,0,0,0|2,0,1]=4 92 B12R1.50 COC(=O)CC1=CC=CC(N)=C1 SY005119 [0,1,0,0,0,0|2,0,1]=4 93 B12R1.50 COC(=O)CC1=CC=CC(O)=C1 SY023952 [0,1,0,0,0,0|2,0,1]=4 94 B12R1.118 CN[C@H](CO)CC1=CC=CC=C1 SY033679 [0,1,0,0,0,0|0,0,0]=1 95 B12R1.118 N#CC(CO)CC1=CC=CC=C1 SY023620 [0,1,0,0,0,0|2,0,0]=3 96 B12R1.118 NCC(CO)CC1=CC=CC=C1 SY002578 [0,1,0,0,0,0|2,0,0]=3 97 B12R1.371 COC(=O)CC1=C(O)C=CC=C1 SY032006 [0,1,0,0,0,0|2,0,1]=4 98 B12R1.371 COC(=O)CC1=CC=CC=C1Br SY023296 [0,1,0,0,0,0|2,0,1]=4 99 B12R1.371 COC(=O)CC1=CC=CC=C1C SY106492 [0,1,0,0,0,0|2,0,1]=4 100 B12R1.371 COC(=O)CC1=CC=CC=C1Cl SY021282 [0,1,0,0,0,0|2,0,1]=4 101 B12R1.371 COC(=O)CC1=CC=CC=C1F SY258978 [0,1,0,0,0,0|2,0,1]=4 102 B12R1.371 COC(=O)CC1=CC=CC=C1I SY311934 [0,1,0,0,0,0|2,0,1]=4 103 B12R2.18 CC1=CC2=C(C=CC=C2)N1C SY004658 [0,0,0,1,0,0|0,0,2]=3 104 B12R2.18 CC1CC2=C(C=CC=C2)C1=O SY081370 [0,0,0,1,0,0|2,0,0]=3 105 B12R2.18 CN1C(=O)CC2=C1C=CC=C2 SY042826 [0,0,0,1,0,0|1,0,1]=3 106 B12R2.18 CN1C(=O)NC2=CC=CC=C21 SY045893 [0,0,0,1,0,0|2,0,1]=4 107 B12R2.18 CN1C(Br)=CC2=C1C=CC=C2 SY247582 [0,0,0,1,0,0|1,0,2]=4 108 B12R2.18 NC1C2=CC=CC=C2CC1O SY003676 [0,0,0,1,0,0|3,0,0]=4 109 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@@H]1O SY007785 [0,0,0,1,0,0|3,0,0]=4 110 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@H]1O SY007747 [0,0,0,1,0,0|3,0,0]=4 111 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@@H]1O SY007896 [0,0,0,1,0,0|3,0,0]=4 112 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@H]1O SY009651 [0,0,0,1,0,0|3,0,0]=4 113 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@H]1O SY279293 [0,0,0,1,0,0|3,0,0]=4 114 B12R2.18 O[C@@H]1C2=C(C=CC=C2)C[C@H]1Br SY015553 [0,0,0,1,0,0|3,0,0]=4 115 B12R2.24 BrC1CCC2=C(C=CC=C2)C1 SY297477 [0,0,0,1,0,0|2,0,0]=3 116 B12R2.24 CC1CCC2=C(C=CC=C2)N1 SY045570 [0,0,0,1,0,0|2,0,0]=3 117 B12R2.24 NC1CCC2=C(C=CC=C2)C1 SY031850 [0,0,0,1,0,0|2,0,0]=3 118 B12R2.24 N[C@@H]1CCC2=C(C=CC=C2)C1 SY118721 [0,0,0,1,0,0|2,0,0]=3 119 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 SY021954 [0,0,0,1,0,0|3,0,0]=4 120 B12R2.24 O=C1CC2=C(C=CC=C2)CO1 SY036247 [0,0,0,1,0,0|2,0,1]=4 121 B12R2.24 OC1CC2=C(C=CC=C2)CO1 SY293993 [0,0,0,1,0,0|2,0,0]=3 122 B12R2.24 OC1CCC2=C(C=CC=C2)C1 SY056861 [0,0,0,1,0,0|2,0,0]=3 123 B12R2.27 CNC1CC1C2=CC=CC=C2 SY262087 [0,0,0,1,0,0|0,0,0]=1 124 B12R2.32 OCC1CC2=CC=CC=C2O1 SY045474 [0,0,0,1,0,0|3,0,0]=4 125 B12R2.32 OC[C@@H]1CC2=C(C=CC=C2)N1 SY038508 [0,0,0,1,0,0|3,0,0]=4 126 B10R1.15 C#CC(O)C1=CC=CC=C1 SY008627 [0,0,0,0,1,0|2,0,1]=4 127 B10R1.15 C#C[C@@H](O)C1=CC=CC=C1 SY008626 [0,0,0,0,1,0|2,0,1]=4 128 B10R1.15 C#C[C@H](O)C1=CC=CC=C1 SY008625 [0,0,0,0,1,0|2,0,1]=4 129 B10R1.15 CC(C=O)C1=CC=CC=C1 SY049214 [0,0,0,0,1,0|2,0,0]=3 130 B10R1.15 CCC(N)C1=CC=CN=C1 SY014378 [0,0,0,0,1,0|3,0,0]=4 131 B10R1.15 CCC(N)C1=CC=CN=C1 SY023048 [0,0,0,0,1,0|3,0,0]=4 132 B10R1.15 CCC(N)C1=CC=NC=C1 SY011556 [0,0,0,0,1,0|3,0,0]=4 133 B10R1.15 CCC(N)C1=NC=CC=C1 SY014377 [0,0,0,0,1,0|3,0,0]=4 134 B10R1.15 CCC(O)C1=CC=CC=C1 SY020321 [0,0,0,0,1,0|2,0,0]=3 135 B10R1.15 CCN(C)C1=CC=CC=C1 SY032004 [0,0,0,0,1,0|2,0,0]=3 136 B10R1.15 CN(N=O)C1=CC=CC=C1 SY052228 [0,0,0,0,1,0|2,0,1]=4 137 B10R1.15 CNC(=O)C1=CC=CC=C1 SY037937 [0,0,0,0,1,0|1,0,1]=3 138 B10R1.15 COS(=O)C1=CC=CC=C1 SY050665 [0,0,0,0,1,0|3,0,0]=4 139 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 SY017826 [0,0,0,0,1,0|2,0,0]=3 140 B10R1.15 C[C@H](C=O)C1=CC=CC=C1 SY036236 [0,0,0,0,1,0|2,0,0]=3 141 B10R1.15 C[C@H](CO)C1=CC=CC=C1 SY036226 [0,0,0,0,1,0|2,0,0]=3 142 B10R1.15 C\C(=N\O)C1=CC=CC=C1 SY057978 [0,0,0,0,1,0|1,0,2]=4 143 B10R1.15 NC(CF)C1=CC=CC=C1 SY045869 [0,0,0,0,1,0|3,0,0]=4 144 B10R1.15 NC(CO)C1=CC=CC=C1 SY002083 [0,0,0,0,1,0|3,0,0]=4 145 B10R1.15 NCC(O)C1=CC=CC=C1 SY042533 [0,0,0,0,1,0|3,0,0]=4 146 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 SY013940 [0,0,0,0,1,0|3,0,0]=4 147 B10R1.15 NC[C@H](O)C1=CC=CC=C1 SY009089 [0,0,0,0,1,0|3,0,0]=4 148 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 SY045870 [0,0,0,0,1,0|3,0,0]=4 149 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 SY003526 [0,0,0,0,1,0|3,0,0]=4 150 B10R1.15 N[C@H](CF)C1=CC=CC=C1 SY045868 [0,0,0,0,1,0|3,0,0]=4 151 B10R1.15 N[C@H](CO)C1=CC=CC=C1 SY001952 [0,0,0,0,1,0|3,0,0]=4 152 B10R1.15 O=CC(Br)C1=CC=CC=C1 SY277929 [0,0,0,0,1,0|3,0,0]=4 153 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 SY017542 [0,0,0,0,1,0|3,0,0]=4 154 B10R1.15 OC[C@H](O)C1=CC=CC=C1 SY017543 [0,0,0,0,1,0|3,0,0]=4 155 B10R1.15 O[C@@H](CCl)C1=CC=CC=C1 SY101214 [0,0,0,0,1,0|3,0,0]=4 156 B12R1.27 CC(CO)OCC1=CC=CC=C1 SY030243 [0,0,0,0,0,1|2,0,0]=3 157 B12R1.27 COC(=O)CCC1=CC=CC=C1 SY017877 [0,0,0,0,0,1|2,0,1]=4 158 B12R1.27 COC(=O)COC1=CC=CC=C1 SY037886 [0,0,0,0,0,1|2,0,1]=4 159 B12R1.27 C[C@H](CO)NCC1=CC=CC=C1 SY123602 [0,0,0,0,0,1|2,0,0]=3 160 B12R1.27 NNC(=O)OCC1=CC=CC=C1 SY017007 [0,0,0,0,0,1|2,0,1]=4 161 B12R1.27 O=C(NO)OCC1=CC=CC=C1 SY024162 [0,0,0,0,0,1|2,0,1]=4 162 B9R1.8 BrCCC1=NC=CC=C1 SY004999 [2,0,0,0,0,0|2,0,0]=4 163 B9R1.8 CC#CC1=CC=CC=C1 SY048557 [2,0,0,0,0,0|0,0,2]=4 164 B9R1.8 CCCC1=CC=CCC1 SY292099 [2,0,0,0,0,0|0,0,2]=4 165 B9R1.8 CCCC1=NC=CC=C1 SY035538 [2,0,0,0,0,0|1,0,0]=3 166 B9R1.8 CNCC1=CC=CN=C1 SY002368 [2,0,0,0,0,0|1,0,0]=3 167 B9R1.8 CNCC1=CC=NC=C1 SY002386 [2,0,0,0,0,0|1,0,0]=3 168 B9R1.8 CNCC1=NC=CC=C1 SY003781 [2,0,0,0,0,0|1,0,0]=3 169 B9R1.8 COCC1=CC=CC=C1 SY049310 [2,0,0,0,0,0|1,0,0]=3 170 B9R1.8 NCCC1=CC=CN=C1 SY003234 [2,0,0,0,0,0|1,0,0]=3 171 B9R1.8 NNCC1=CC=CC=C1 SY004756 [2,0,0,0,0,0|1,0,0]=3 172 B9R1.8 NNCC1=CC=CC=C1 SY004764 [2,0,0,0,0,0|1,0,0]=3 173 B9R1.8 NNCC1=NC=CC=C1 SY042125 [2,0,0,0,0,0|2,0,0]=4 174 B9R1.8 NOCC1=CC=CC=C1 SY005671 [2,0,0,0,0,0|1,0,0]=3 175 B9R1.8 NOCC1=CC=CC=C1 SY018100 [2,0,0,0,0,0|1,0,0]=3 176 B9R1.8 NOCC1=CC=CN=C1 SY029692 [2,0,0,0,0,0|2,0,0]=4 177 B9R1.8 NOCC1=CC=CN=C1 SY281597 [2,0,0,0,0,0|2,0,0]=4 178 B9R1.8 NOCC1=CC=NC=C1 SY281602 [2,0,0,0,0,0|2,0,0]=4 179 B9R1.8 NOCC1=CC=NC=C1 SY281603 [2,0,0,0,0,0|2,0,0]=4 180 B9R1.8 NOCC1=NC=CC=C1 SY281576 [2,0,0,0,0,0|2,0,0]=4 181 B9R1.8 NOCC1=NC=CC=C1 SY281577 [2,0,0,0,0,0|2,0,0]=4 182 B9R1.8 OCCC1=CC=CN=C1 SY004170 [2,0,0,0,0,0|2,0,0]=4 183 B9R1.8 OCCC1=CC=NC=C1 SY001138 [2,0,0,0,0,0|2,0,0]=4 184 B9R1.8 ONCC1=CC=CC=C1 SY019534 [2,0,0,0,0,0|1,0,0]=3 185 B9R1.8 ONCC1=CC=CC=C1 SY024088 [2,0,0,0,0,0|1,0,0]=3 186 B9R1.8 SCCC1=CC=CC=C1 SY039368 [2,0,0,0,0,0|1,0,0]=3 187 B11R1.1 C=CCCC1=CC=C(O)C=C1 SY045828 [1,1,0,0,0,0|1,0,1]=4 188 B11R1.1 CCCCC1=CC=C(Br)C=C1 SY013489 [1,1,0,0,0,0|1,0,0]=3 189 B11R1.1 CCCCC1=CC=C(I)C=C1 SY029294 [1,1,0,0,0,0|1,0,0]=3 190 B11R1.1 CCCOC1=CC=C(O)C=C1 SY036399 [1,1,0,0,0,0|2,0,0]=4 191 B11R1.1 CCNCC1=CC=C(Br)C=C1 SY002622 [1,1,0,0,0,0|2,0,0]=4 192 B11R1.1 CCNCC1=CC=C(C)C=C1 SY045939 [1,1,0,0,0,0|2,0,0]=4 193 B11R1.1 CCNCC1=CC=C(Cl)C=C1 SY002523 [1,1,0,0,0,0|2,0,0]=4 194 B11R1.1 CCNCC1=CC=C(F)C=C1 SY002625 [1,1,0,0,0,0|2,0,0]=4 195 B11R1.1 CCNCC1=CC=C(N)C=C1 SY003699 [1,1,0,0,0,0|2,0,0]=4 196 B11R1.1 CCNCC1=CC=C(O)C=C1 SY018668 [1,1,0,0,0,0|2,0,0]=4 197 B11R1.1 CNCCC1=CC=C(Cl)C=C1 SY002514 [1,1,0,0,0,0|0,0,0]=2 198 B11R1.1 COCOC1=CC=C(Br)C=C1 SY013180 [1,1,0,0,0,0|2,0,0]=4 199 B11R1.1 FC1=CC=C(CCCI)C=C1 SY249460 [1,1,0,0,0,0|2,0,0]=4 200 B11R1.1 NOCCC1=CC=C(Cl)C=C1 SY281852 [1,1,0,0,0,0|2,0,0]=4 201 B11R1.1 NOCCC1=CC=C(Cl)C=C1 SY281853 [1,1,0,0,0,0|2,0,0]=4 202 B11R1.1 NOCCC1=CC=C(F)C=C1 SY281706 [1,1,0,0,0,0|2,0,0]=4 203 B11R1.1 NOCCC1=CC=C(F)C=C1 SY281707 [1,1,0,0,0,0|2,0,0]=4 204 B11R1.1 OCCCC1=CC=C(Br)C=C1 SY008370 [1,1,0,0,0,0|2,0,0]=4 205 B11R1.1 OCCCC1=CC=C(Cl)C=C1 SY062743 [1,1,0,0,0,0|2,0,0]=4 206 B11R1.16 CC(CCN)C1=CC=CC=C1 SY035468 [1,1,0,0,0,0|2,0,0]=4 207 B11R1.16 CCCC(N)C1=CC=NC=C1 SY014555 [1,1,0,0,0,0|2,0,0]=4 208 B11R1.16 CCCC(N)C1=CN=CC=C1 SY014556 [1,1,0,0,0,0|2,0,0]=4 209 B11R1.16 CCCC(N)C1=NC=CC=C1 SY014554 [1,1,0,0,0,0|2,0,0]=4 210 B11R1.16 CNNC(=O)C1=CC=CC=C1 SY294316 [1,1,0,0,0,0|1,0,1]=4 211 B11R1.16 COC[C@@H](N)C1=CC=CC=C1 SY025161 [1,1,0,0,0,0|1,0,0]=3 212 B11R1.16 COC[C@H](N)C1=CC=CC=C1 SY039587 [1,1,0,0,0,0|1,0,0]=3 213 B11R1.16 ClCCC(Br)C1=CC=CC=C1 SY027094 [1,1,0,0,0,0|2,0,0]=4 214 B11R1.16 NC(CCO)C1=CC=CC=C1 SY013381 [1,1,0,0,0,0|2,0,0]=4 215 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 SY033781 [1,1,0,0,0,0|2,0,0]=4 216 B11R1.16 N[C@H](CCO)C1=CC=CC=C1 SY002040 [1,1,0,0,0,0|2,0,0]=4 217 B11R1.16 OC(CCCl)C1=CC=CC=C1 SY021671 [1,1,0,0,0,0|2,0,0]=4 218 B11R1.16 OCCC(O)C1=CC=CC=C1 SY271569 [1,1,0,0,0,0|2,0,0]=4 219 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 SY021625 [1,1,0,0,0,0|2,0,0]=4 220 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 SY021621 [1,1,0,0,0,0|2,0,0]=4 221 B11R1.17 CCCOC1=C(N)C=CC=C1 SY023299 [1,1,0,0,0,0|2,0,0]=4 222 B11R1.17 CCCOC1=CC=CC=C1N SY027786 [1,1,0,0,0,0|2,0,0]=4 223 B11R1.17 CCNCC1=CC=CC=C1O SY018670 [1,1,0,0,0,0|2,0,0]=4 224 B11R1.17 CNCCC1=CC=CC=C1F SY002937 [1,1,0,0,0,0|0,0,0]=2 225 B11R1.17 NCCCC1=CC=CC=C1Br SY030070 [1,1,0,0,0,0|2,0,0]=4 226 B11R1.17 OCCCC1=CC=CC=C1Br SY021684 [1,1,0,0,0,0|2,0,0]=4 227 B11R1.24 CCNCC1=CC=CC(Br)=C1 SY002525 [1,1,0,0,0,0|2,0,0]=4 228 B11R1.24 CCNCC1=CC=CC(Cl)=C1 SY045903 [1,1,0,0,0,0|2,0,0]=4 229 B11R1.24 CCNCC1=CC=CC(F)=C1 SY002642 [1,1,0,0,0,0|2,0,0]=4 230 B11R1.24 CCNCC1=CC=CC(O)=C1 SY018672 [1,1,0,0,0,0|2,0,0]=4 231 B11R1.24 CNCCC1=CC=CC(Cl)=C1 SY002516 [1,1,0,0,0,0|0,0,0]=2 232 B11R1.24 CNCCC1=CC=CC(F)=C1 SY002844 [1,1,0,0,0,0|0,0,0]=2 233 B11R1.24 COCOC1=CC(Br)=CC=C1 SY165520 [1,1,0,0,0,0|2,0,0]=4 234 B11R1.24 COCOC1=CC=CC(Cl)=C1 SY224767 [1,1,0,0,0,0|2,0,0]=4 235 B11R1.28 BrCCCCC1=CC=CC=C1 SY036816 [1,1,0,0,0,0|1,0,0]=3 236 B11R1.28 BrCCCOC1=CC=CC=C1 SY020995 [1,1,0,0,0,0|2,0,0]=4 237 B11R1.28 BrCCOCC1=CC=CC=C1 SY021677 [1,1,0,0,0,0|2,0,0]=4 238 B11R1.28 C#CCOCC1=CC=CC=C1 SY025593 [1,1,0,0,0,0|1,0,1]=4 239 B11R1.28 C=CCNCC1=CC=CC=C1 SY051146 [1,1,0,0,0,0|1,0,1]=4 240 B11R1.28 C=CCOCC1=CC=CC=C1 SY052476 [1,1,0,0,0,0|1,0,1]=4 241 B11R1.28 CCNCCC1=CC=CC=C1 SY248623 [1,1,0,0,0,0|0,0,0]=2 242 B11R1.28 ClCCCCC1=CC=NC=C1 SY226263 [1,1,0,0,0,0|2,0,0]=4 243 B11R1.28 ClCCNCC1=CC=CC=C1 SY239742 [1,1,0,0,0,0|2,0,0]=4 244 B11R1.28 ICCOCC1=CC=CC=C1 SY260861 [1,1,0,0,0,0|2,0,0]=4 245 B11R1.28 N#CCOCC1=CC=CC=C1 SY129386 [1,1,0,0,0,0|2,0,0]=4 246 B11R1.28 NCCOCC1=CC=CC=C1 SY018893 [1,1,0,0,0,0|2,0,0]=4 247 B11R1.28 NNCCOC1=CC=CC=C1 SY048090 [1,1,0,0,0,0|1,0,0]=3 248 B11R1.28 NOCCCC1=CC=CC=C1 SY281833 [1,1,0,0,0,0|2,0,0]=4 249 B11R1.28 NOCCCC1=CC=CC=C1 SY281834 [1,1,0,0,0,0|2,0,0]=4 250 B11R1.28 NOCCOC1=CC=CC=C1 SY006322 [1,1,0,0,0,0|2,0,0]=4 251 B11R1.28 O=CCCCC1=CC=CC=C1 SY236716 [1,1,0,0,0,0|1,0,1]=4 252 B11R1.28 OCCCCC1=CC=CC=C1 SY015871 [1,1,0,0,0,0|1,0,0]=3 253 B11R1.28 OCCCCC1=CC=CN=C1 SY022160 [1,1,0,0,0,0|2,0,0]=4 254 B11R1.28 OCCCCC1=CC=NC=C1 SY008209 [1,1,0,0,0,0|2,0,0]=4 255 B11R1.28 OCCCCC1=CC=NC=C1 SY008241 [1,1,0,0,0,0|2,0,0]=4 256 B11R1.28 OCCCCC1=NC=CC=C1 SY022161 [1,1,0,0,0,0|2,0,0]=4 257 B11R1.28 OCCNCC1=CC=CC=C1 SY001172 [1,1,0,0,0,0|2,0,0]=4 258 B11R1.28 OCCOCC1=CC=CC=C1 SY015814 [1,1,0,0,0,0|2,0,0]=4 259 B11R1.91 CC(=O)CCC1=CC=CC=C1 SY013502 [1,1,0,0,0,0|1,0,0]=3 260 B11R1.91 CC(C)NCC1=CC=CC=C1 SY032809 [1,1,0,0,0,0|2,0,0]=4 261 B11R1.91 O=C(O)CCC1=CC=CC=C1 SY001654 [1,1,0,0,0,0|2,0,0]=4 262 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 SY043104 [1,1,0,0,0,0|1,0,1]=4 263 B11R1.91 OB(O)CCC1=CC=CC=C1 SY014651 [1,1,0,0,0,0|2,0,0]=4 264 B11R1.20 CC(=O)CC1=CC=C(Br)C=C1 SY045434 [1,1,0,0,0,0|1,0,1]=4 265 B11R1.20 CC(=O)CC1=CC=C(C)C=C1 SY042746 [1,1,0,0,0,0|1,0,1]=4 266 B11R1.20 CC(=O)CC1=CC=C(Cl)C=C1 SY017113 [1,1,0,0,0,0|1,0,1]=4 267 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 SY017054 [1,1,0,0,0,0|1,0,1]=4 268 B11R1.20 CC(C)CC1=CC=C(N)C=C1 SY035752 [1,1,0,0,0,0|0,0,0]=2 269 B11R1.20 CC(C)NC1=CC=C(Cl)C=C1 SY262875 [1,1,0,0,0,0|1,0,0]=3 270 B11R1.20 CC(C)OC1=CC=C(N)C=C1 SY050495 [1,1,0,0,0,0|1,0,0]=3 271 B11R1.20 CC(C)OC1=CN=C(Br)C=C1 SY225423 [1,1,0,0,0,0|2,0,0]=4 272 B11R1.20 CC(C)OC1=NC=C(Br)C=C1 SY110382 [1,1,0,0,0,0|2,0,0]=4 273 B11R1.20 CC(C)SC1=CC=C(Cl)C=C1 SY293233 [1,1,0,0,0,0|1,0,0]=3 274 B11R1.20 CN(C)CC1=CC=C(N)C=C1 SY003571 [1,1,0,0,0,0|1,0,0]=3 275 B11R1.20 CN(C)CC1=CN=C(N)C=C1 SY032104 [1,1,0,0,0,0|2,0,0]=4 276 B11R1.20 NC(=O)CC1=CC=C(Br)C=C1 SY132432 [1,1,0,0,0,0|1,0,1]=4 277 B11R1.20 NC(=O)CC1=CC=C(O)C=C1 SY001683 [1,1,0,0,0,0|1,0,1]=4 278 B11R1.36 CC(=O)C(O)C1=CC=CC=C1 SY028287 [1,1,0,0,0,0|1,0,1]=4 279 B11R1.36 CC(C)C(=O)C1=CC=CN=C1 SY129311 [1,1,0,0,0,0|1,0,1]=4 280 B11R1.36 CC(C)C(=O)C1=NC=CC=C1 SY004992 [1,1,0,0,0,0|1,0,1]=4 281 B11R1.36 CC(C)C(N)C1=CC=CN=C1 SY014380 [1,1,0,0,0,0|1,0,0]=3 282 B11R1.36 CC(C)C(N)C1=CC=NC=C1 SY014381 [1,1,0,0,0,0|1,0,0]=3 283 B11R1.36 CC(C)C(N)C1=NC=CC=C1 SY014379 [1,1,0,0,0,0|1,0,0]=3 284 B11R1.36 CC(C)C(O)C1=CC=CN=C1 SY129322 [1,1,0,0,0,0|1,0,0]=3 285 B11R1.36 CN(C)C(=O)C1=CC=CC=C1 SY048849 [1,1,0,0,0,0|1,0,1]=4 286 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 SY009237 [1,1,0,0,0,0|1,0,1]=4 287 B11R1.86 CC(=O)CC1=C(Br)C=CC=C1 SY011510 [1,1,0,0,0,0|1,0,1]=4 288 B11R1.86 CC(=O)CC1=C(Cl)C=CC=C1 SY037165 [1,1,0,0,0,0|1,0,1]=4 289 B11R1.86 CC(C)CC1=CC=CC=C1N SY036357 [1,1,0,0,0,0|0,0,0]=2 290 B11R1.86 CC(C)NC1=CC=CC=C1S SY232861 [1,1,0,0,0,0|1,0,0]=3 291 B11R1.86 CC(C)OC1=CC=CC=C1N SY006071 [1,1,0,0,0,0|1,0,0]=3 292 B11R1.86 CC(C)OC1=CC=CC=C1O SY062038 [1,1,0,0,0,0|1,0,0]=3 293 B11R1.86 CC(C)OC1=NC=CC=C1Br SY077021 [1,1,0,0,0,0|2,0,0]=4 294 B11R1.86 CC(C)SC1=CC=CC=C1N SY123012 [1,1,0,0,0,0|1,0,0]=3 295 B11R1.86 N=C(N)CC1=C(Cl)C=CC=C1 SY003979 [1,1,0,0,0,0|1,0,1]=4 296 B11R1.86 NC(=O)CC1=CC=CC=C1Cl SY016301 [1,1,0,0,0,0|1,0,1]=4 297 B11R1.157 CC(=O)CC1=CC=CC(Cl)=C1 SY050661 [1,1,0,0,0,0|1,0,1]=4 298 B11R1.157 CC(C)OC1=NC=CC(Br)=C1 SY111491 [1,1,0,0,0,0|2,0,0]=4 299 B11R1.157 CC(O)CC1=NC=CC(Br)=C1 SY247891 [1,1,0,0,0,0|2,0,0]=4 300 B11R1.157 CN(C)CC1=CC(Br)=NC=C1 SY292037 [1,1,0,0,0,0|2,0,0]=4 301 B11R1.157 NC(=O)CC1=CC=CC(Br)=C1 SY274676 [1,1,0,0,0,0|1,0,1]=4 302 B11R1.509 CC(C)(C)OC1=CC=CC=C1 SY101875 [1,1,0,0,0,0|1,0,0]=3 303 B11R1.509 CC(C)(Cl)CC1=CC=CC=C1 SY096691 [1,1,0,0,0,0|0,0,0]=2 304 B11R1.509 CC(C)(O)CC1=CC=CC=C1 SY047029 [1,1,0,0,0,0|0,0,0]=2 305 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 SY003488 [1,1,0,0,0,0|1,0,0]=3 306 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 SY011391 [1,1,0,0,0,0|1,0,0]=3 307 B11R1.509 C[Si](C)(C)OC1=CC=CC=C1 SY041912 [1,1,0,0,0,0|1,1,0]=4 308 B11R1.509 NS(=O)(=O)CC1=CC=CC=C1 SY048725 [1,1,0,0,0,0|2,0,0]=4 309 B11R1.7 C#CC(C)(O)C1=CC=CC=C1 SY015926 [0,1,0,0,1,0|1,0,1]=4 310 B11R1.7 CC(C)(C#N)C1=CC=CC=C1 SY001232 [0,1,0,0,1,0|2,0,0]=4 311 B11R1.7 CC(C)(CO)C1=CC=CC=C1 SY036229 [0,1,0,0,1,0|2,0,0]=4 312 B11R1.7 CC(N)(C#N)C1=CC=CC=C1 SY039093 [0,1,0,0,1,0|2,0,0]=4 313 B11R1.7 CC(N)(CO)C1=CC=CC=C1 SY034658 [0,1,0,0,1,0|2,0,0]=4 314 B11R1.7 CC(N)(CO)C1=CC=CC=C1 SY159712 [0,1,0,0,1,0|2,0,0]=4 315 B11R1.7 COP(C)(=O)C1=CC=CC=C1 SY300619 [0,1,0,0,1,0|2,0,0]=4 316 B11R1.7 CO[Si](C)(C)C1=CC=CC=C1 SY043367 [0,1,0,0,1,0|1,1,0]=4 317 B11R1.12 C1=CC=C(N(CC)CC)C=C1 SY246295 [0,1,0,0,1,0|2,0,0]=4 318 B11R1.12 CO[C@H](CN)C1=CC=CC=C1 SY286579 [0,1,0,0,1,0|1,0,0]=3 319 B11R1.12 OCC(CO)C1=CC=CC=C1 SY020513 [0,1,0,0,1,0|2,0,0]=4 320 B11R1.22 CNC(=O)C1=CC=C(Br)C=C1 SY020021 [0,1,0,0,1,0|1,0,1]=4 321 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 SY005511 [0,1,0,0,1,0|1,0,1]=4 322 B11R1.22 CNC(=S)C1=CC=C(Br)C=C1 SY262030 [0,1,0,0,1,0|1,0,1]=4 323 B11R1.23 CNC(=O)C1=CC=CC(N)=C1 SY051152 [0,1,0,0,1,0|1,0,1]=4 324 B11R1.222 CC(C#N)C1=CC=CC=C1Cl SY035560 [0,1,0,0,1,0|2,0,0]=4 325 B11R1.222 CNC(=O)C1=CC=CC=C1Br SY025140 [0,1,0,0,1,0|1,0,1]=4 326 B11R1.222 CNC(=O)C1=CC=CC=C1N SY005082 [0,1,0,0,1,0|1,0,1]=4 327 B11R1.222 CNC(=O)C1=CC=CC=C1O SY034205 [0,1,0,0,1,0|1,0,1]=4 328 B13R1.11 CNC(=O)CC(=O)C1=CC=CC=C1 SY027105 [0,1,0,0,0,1|1,0,1]=4 329 B13R1.135 CON(C)C(=O)CC1=CC=CC=C1 SY201708 [0,1,0,0,0,1|2,0,0]=4 330 B13R1.254 CC(C)(CO)OCC1=CC=CC=C1 SY247973 [0,1,0,0,0,1|2,0,0]=4 331 B13R1.351 C[C@@H](O)[C@@H](C)OCC1=CC=CC=C1 SY261830 [0,1,0,0,0,1|1,0,0]=3 332 B13R1.351 C[C@@H](OCC1=CC=CC=C1)C(=O)Cl SY283218 [0,1,0,0,0,1|2,0,0]=4 333 B13R1.351 C[C@@H](OCC1=CC=CC=C1)C(=O)O SY179876 [0,1,0,0,0,1|2,0,0]=4 334 B13R1.351 C[C@H](NCC1=CC=CC=C1)C(=O)O SY150471 [0,1,0,0,0,1|2,0,0]=4 335 B13R1.348 CN(C)C[C@@H](N)CC1=CC=CC=C1 SY273281 [0,2,0,0,0,0|1,0,0]=3 336 B13R1.348 CN(CC1=CC=CC=C1)CC(F)F SY159651 [0,2,0,0,0,0|2,0,0]=4 337 B13R1.348 CN(CC1=CC=CC=C1)CC(F)F SY294160 [0,2,0,0,0,0|2,0,0]=4 338 B13R1.418 NCC(CC1=CC=CC=C1)C(=O)O SY005517 [0,2,0,0,0,0|2,0,0]=4 339 B13R1.1073 CC(C)(CC1=CC=CC=C1)C(=O)O SY045932 [0,2,0,0,0,0|2,0,0]=4 340 B13R1.3080 COP(=O)(CC1=CC=CC=C1)OC SY284594 [0,2,0,0,0,0|2,0,0]=4 341 B11R2.1 C1=CC2=C(C=C1)C=CN2C SY246326 [1,0,0,1,0,0|0,0,2]=4 342 B11R2.1 C1=CC2=C(C=C1)N(C)C=C2 SY246277 [1,0,0,1,0,0|0,0,2]=4 343 B11R2.1 C1=CC2=C(C=CC=C2)N1C SY246324 [1,0,0,1,0,0|0,0,2]=4 344 B11R2.1 C1=CC=CC2=C1C=CN2C SY246325 [1,0,0,1,0,0|0,0,2]=4 345 B11R2.1 C1=CC=CC2=C1N(C)C=C2 SY246327 [1,0,0,1,0,0|0,0,2]=4 346 B11R2.1 C=C1CCC2=C1C=CC=C2 SY031740 [1,0,0,1,0,0|1,0,1]=4 347 B11R2.1 CC1CNC2=C1C=CC=C2 SY178552 [1,0,0,1,0,0|2,0,0]=4 348 B11R2.1 CN1C=NC2=CC=CC=C21 SY042696 [1,0,0,1,0,0|1,0,1]=4 349 B11R2.1 CN1CNC2=CC=CC=C21 SY289611 [1,0,0,1,0,0|1,0,0]=3 350 B11R2.1 NC1CCC2=C1C=CC=C2 SY004953 [1,0,0,1,0,0|2,0,0]=4 351 B11R2.1 NC1CCC2=CC=CC=C21 SY004234 [1,0,0,1,0,0|2,0,0]=4 352 B11R2.1 NN1CCC2=C1C=CC=C2 SY096651 [1,0,0,1,0,0|1,0,0]=3 353 B11R2.1 N[C@@H]1CCC2=C1C=CC=C2 SY030463 [1,0,0,1,0,0|2,0,0]=4 354 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 SY028017 [1,0,0,1,0,0|2,0,0]=4 355 B11R2.1 O=C1CCC2=C1C=CC=C2 SY001380 [1,0,0,1,0,0|2,0,0]=4 356 B11R2.1 OC1CCC2=C1C=CC=C2 SY014889 [1,0,0,1,0,0|2,0,0]=4 357 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 SY275070 [1,0,0,1,0,0|2,0,0]=4 358 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 SY277942 [1,0,0,1,0,0|2,0,0]=4 359 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 SY037504 [1,0,0,1,0,0|2,0,0]=4 360 B11R2.20 C1=CC2=C(C=C1)CCC=C2 SY050004 [1,0,0,1,0,0|1,0,1]=4 361 B11R2.20 C1=CC2=C(C=C1)CCN=C2 SY025255 [1,0,0,1,0,0|0,0,2]=4 362 B11R2.20 C1=CC2=C(C=C1)CNCC2 SY001156 [1,0,0,1,0,0|0,0,0]=2 363 B11R2.20 C1=CC2=C(C=C1)CNNC2 SY022231 [1,0,0,1,0,0|1,0,0]=3 364 B11R2.20 C1=CC2=C(C=C1)COCC2 SY018228 [1,0,0,1,0,0|1,0,0]=3 365 B11R2.20 C1=CC2=C(C=C1)CSCC2 SY286030 [1,0,0,1,0,0|1,0,0]=3 366 B11R2.20 C1=CC2=C(C=C1)NCCC2 SY001847 [1,0,0,1,0,0|2,0,0]=4 367 B11R2.20 C1=CC2=C(C=C1)OCCC2 SY174231 [1,0,0,1,0,0|2,0,0]=4 368 B11R2.20 C1=CC2=C(CCCC2)N=C1 SY004991 [1,0,0,1,0,0|2,0,0]=4 369 B11R2.20 C1=CC2=C(CCNC2)N=C1 SY022463 [1,0,0,1,0,0|1,0,0]=3 370 B11R2.20 C1=CC2=C(CNCC2)N=C1 SY114285 [1,0,0,1,0,0|1,0,0]=3 371 B11R2.20 C1=CN=C2CCNCC2=C1 SY022124 [1,0,0,1,0,0|1,0,0]=3 372 B11R2.20 C1=NC=C2CNCCC2=C1 SY102429 [1,0,0,1,0,0|1,0,0]=3 373 B11R2.20 C1=NC=C2CNCCC2=N1 SY025899 [1,0,0,1,0,0|2,0,0]=4 374 B11R2.238 C1=CC=C(NC2CC2)C=C1 SY207735 [1,0,0,1,0,0|2,0,0]=4 375 B11R2.239 C1=CC(C2CNC2)=CC=N1 SY267170 [1,0,0,1,0,0|1,0,0]=3 376 B11R2.239 C1=CC(C2CNC2)=CC=N1 SY267171 [1,0,0,1,0,0|1,0,0]=3 377 B11R2.239 C1=CC=C(C2CNC2)C=C1 SY059527 [1,0,0,1,0,0|0,0,0]=2 378 B11R2.239 C1=CN=C(C2CNC2)C=C1 SY267180 [1,0,0,1,0,0|1,0,0]=3 379 B11R2.239 C1=CN=CC(C2CNC2)=C1 SY267167 [1,0,0,1,0,0|1,0,0]=3 380 B11R2.239 C1=CN=CC(C2CNC2)=C1 SY267168 [1,0,0,1,0,0|1,0,0]=3 381 B11R2.10 BrC1CC2=C(C=CC=C2)C1 SY185759 [1,0,0,1,0,0|1,0,0]=3 382 B11R2.10 CC1=CC2=C(C=CC=C2)C1 SY037985 [1,0,0,1,0,0|0,0,2]=4 383 B11R2.10 CC1=NC2=CC=CC=C2N1 SY015991 [1,0,0,1,0,0|1,0,1]=4 384 B11R2.10 CC1CC2=C(C=CC=C2)N1 SY014921 [1,0,0,1,0,0|0,0,0]=2 385 B11R2.10 O=C1CC2=C(C=CC=C2)C1 SY001481 [1,0,0,1,0,0|1,0,1]=4 386 B11R2.10 O=C1CC2=CC=CC=C2N1 SY004718 [1,0,0,1,0,0|1,0,1]=4 387 B11R2.10 OC1CC2=C(C=CC=C2)C1 SY033139 [1,0,0,1,0,0|1,0,0]=3 388 B11R2.40 NC1(C2=CC=CC=C2)CC1 SY002295 [0,0,0,1,1,0|2,0,0]=4 389 B11R2.40 NC1(C2=CC=CC=C2)CC1 SY002397 [0,0,0,1,1,0|2,0,0]=4 390 B11R2.36 CC1CN2C=CN=C2CN1 SY283965 [0,0,0,1,1,0|2,0,0]=4 391 B11R2.36 C[C@@H]1CN2N=CC=C2CN1 SY285474 [0,0,0,1,1,0|2,0,0]=4 392 B11R2.36 C[C@H]1CN2N=CC=C2CN1 SY285473 [0,0,0,1,1,0|2,0,0]=4 393 B13R2.10 CC1COC(C2=CC=CC=C2)O1 SY035743 [0,0,0,1,0,1|2,0,0]=4 394 B13R2.10 O=C1CC(C2=CC=CC=C2)CN1 SY031841 [0,0,0,1,0,1|1,0,1]=4 395 B13R2.27 C[C@H]1CCN1CC2=CC=CC=C2 SY257754 [0,0,0,1,0,1|1,0,0]=3 396 B13R2.27 C[C@H]1CCN1CC2=CC=CC=C2 SY257755 [0,0,0,1,0,1|1,0,0]=3 397 B13R2.32 CC1CCC2=C(C=CC=C2)C1=O SY101951 [0,0,0,1,0,1|2,0,0]=4 398 B13R2.32 CC1CCC2=C(C=CC=C2)N1C SY280205 [0,0,0,1,0,1|0,0,0]=2 399 B13R2.57 NCC1CC2=C(C=CC=C2)CO1 SY250682 [0,0,0,1,0,1|2,0,0]=4 400 B13R2.57 NCC1CC2=C(C=CC=C2)CO1 SY293995 [0,0,0,1,0,1|2,0,0]=4 401 B13R2.57 NNC1CCC2=C(C=CC=C2)C1 SY265143 [0,0,0,1,0,1|1,0,0]=3 402 B13R2.57 OC[C@@H]1CC2=C(C=CC=C2)CN1 SY017512 [0,0,0,1,0,1|2,0,0]=4 403 B13R2.57 OC[C@H]1CC2=C(C=CC=C2)CN1 SY017520 [0,0,0,1,0,1|2,0,0]=4 404 B13R2.2383 C1=CC=C(COC2CNC2)C=C1 SY237129 [0,0,0,1,0,1|2,0,0]=4 405 B13R2.31 OC1CN(CC2=CC=CC=C2)C1 SY014531 [0,1,0,1,0,0|2,0,0]=4 406 B13R2.64 C1=CC=C(CC2CCNC2)C=C1 SY128694 [0,1,0,1,0,0|0,0,0]=2 407 B13R2.45 CN1C2=CC=CC=C2N=C1CN SY059029 [0,1,0,1,0,0|1,0,1]=4 408 B13R2.3085 CN1C(=O)C(N)C2=C1C=CC=C2 SY059152 [0,1,0,1,0,0|1,0,1]=4 409 B13R2.8137 NC(C1=CC=CC=C1)C2CCC2 SY037547 [0,1,0,1,0,0|1,0,0]=3 410 B13R2.423 O=C(O)C1CC1C2=CC=CC=C2 SY056952 [0,1,0,1,0,0|2,0,0]=4 411 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 SY028926 [0,1,0,1,0,0|2,0,0]=4 412 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 SY260952 [0,1,0,1,0,0|2,0,0]=4 413 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 SY152256 [0,1,0,1,0,0|2,0,0]=4 414 B13R2.435 O=C(O)C1CC2=C(C=CC=C2)C1 SY030245 [0,1,0,1,0,0|2,0,0]=4 415 B13R2.435 OB(O)C1CC2=C(C=CC=C2)C1 SY299703 [0,1,0,1,0,0|2,0,0]=4 416 B13R2.42 OC[C@H]1C[C@@H]1C2=CC=C(Cl)C=C2 SY272505 [0,1,0,1,0,0|2,0,0]=4 417 B13R2.1069 BrC1=CC=C(CN2CCC2)C=C1 SY026176 [0,1,0,1,0,0|2,0,0]=4 418 B13R2.3028 CC1CC2=C(C=C(F)C=C2)C1=O SY132294 [0,1,0,1,0,0|2,0,0]=4 419 B13R2.3028 CN1C(=O)CC2=C1C=C(N)C=C2 SY097175 [0,1,0,1,0,0|1,0,1]=4 420 B13R2.3683 O=C1CC2=C(C=C(O)C=C2)CN1 SY035160 [0,1,0,1,0,0|1,0,1]=4 421 B13R2.155 CN1CCC2=C(C=C(Br)C=C2)C1 SY265426 [0,1,0,1,0,0|2,0,0]=4 422 B13R2.155 CN1CCC2=C(C=C(N)C=C2)C1 SY098224 [0,1,0,1,0,0|2,0,0]=4 423 B13R2.155 N[C@H]1CCC2=CC=C(O)C=C2C1 SY009732 [0,1,0,1,0,0|2,0,0]=4 424 B13R2.155 O=C1CC2=C(C=CC(Br)=C2)CN1 SY263246 [0,1,0,1,0,0|1,0,1]=4 425 B13R2.5179 O=C1CC2=C(CN1)C(Br)=CC=C2 SY263243 [0,1,0,1,0,0|1,0,1]=4 426 B13R2.5190 CN1C(=O)CC2=C1C=CC(N)=C2 SY006674 [0,1,0,1,0,0|1,0,1]=4 427 B13R2.101 ClCC1(CC2=CC=CC=C2)CC1 SY281167 [0,1,0,1,0,0|1,0,0]=3 428 B13R2.222 CC1(C)CCC2=C(C=CC=C2)N1 SY205781 [0,1,0,1,0,0|2,0,0]=4 429 B13R2.217 OC1(CC2=C(Cl)C=CC=C2)CC1 SY035361 [0,1,0,1,0,0|2,0,0]=4 430 B13R2.4825 CC1CC2=C(C=CC=C2Br)C1=O SY038095 [0,1,0,1,0,0|2,0,0]=4 431 B13R2.4825 CN1C(=O)CC2=C1C=CC=C2N SY263286 [0,1,0,1,0,0|1,0,1]=4 432 B9R1.6 CC(C)C1=CC=CCC1 SY292102 [1,0,0,0,1,0|0,0,2]=4 433 B9R1.6 CC(C)C1=CCCC=C1 SY292103 [1,0,0,0,1,0|0,0,2]=4 434 B9R1.6 CC(N)C1=CC=CN=C1 SY005518 [1,0,0,0,1,0|1,0,0]=3 435 B9R1.6 CC(N)C1=CC=NC=C1 SY005514 [1,0,0,0,1,0|1,0,0]=3 436 B9R1.6 CC(N)C1=CC=NN=C1 SY245175 [1,0,0,0,1,0|2,0,0]=4 437 B9R1.6 CC(N)C1=NC=CC=C1 SY005425 [1,0,0,0,1,0|1,0,0]=3 438 B9R1.6 CC(N)C1=NC=CC=C1 SY023696 [1,0,0,0,1,0|1,0,0]=3 439 B9R1.6 CC(N)C1=NC=CC=N1 SY270479 [1,0,0,0,1,0|2,0,0]=4 440 B9R1.6 CC(N)C1=NC=CN=C1 SY107192 [1,0,0,0,1,0|2,0,0]=4 441 B9R1.6 CC(O)C1=CC=CN=C1 SY006085 [1,0,0,0,1,0|2,0,0]=4 442 B9R1.6 CC(O)C1=CC=NC=C1 SY006084 [1,0,0,0,1,0|2,0,0]=4 443 B9R1.6 CC(O)C1=NC=CC=C1 SY004070 [1,0,0,0,1,0|2,0,0]=4 444 B9R1.6 C[C@@H](N)C1=CC=CN=C1 SY105422 [1,0,0,0,1,0|1,0,0]=3 445 B9R1.6 C[C@@H](N)C1=CC=NC=C1 SY011547 [1,0,0,0,1,0|1,0,0]=3 446 B9R1.6 C[C@@H](N)C1=CC=NC=C1 SY253760 [1,0,0,0,1,0|1,0,0]=3 447 B9R1.6 C[C@@H](N)C1=NC=CC=C1 SY016895 [1,0,0,0,1,0|1,0,0]=3 448 B9R1.6 C[C@@H](N)C1=NC=CC=N1 SY310791 [1,0,0,0,1,0|2,0,0]=4 449 B9R1.6 C[C@@H](O)C1=CC=CC=C1 SY007833 [1,0,0,0,1,0|1,0,0]=3 450 B9R1.6 C[C@@H](O)C1=CN=CC=C1 SY008212 [1,0,0,0,1,0|2,0,0]=4 451 B9R1.6 C[C@@H](O)C1=NC=CC=C1 SY009224 [1,0,0,0,1,0|2,0,0]=4 452 B9R1.6 C[C@H](N)C1=CC=CN=C1 SY033903 [1,0,0,0,1,0|1,0,0]=3 453 B9R1.6 C[C@H](N)C1=CC=NC=C1 SY011546 [1,0,0,0,1,0|1,0,0]=3 454 B9R1.6 C[C@H](N)C1=NC=CC=C1 SY010698 [1,0,0,0,1,0|1,0,0]=3 455 B9R1.6 C[C@H](O)C1=CN=CC=C1 SY008211 [1,0,0,0,1,0|2,0,0]=4 456 B9R1.6 FC(F)C1=CC=CC=C1 SY024386 [1,0,0,0,1,0|2,0,0]=4 457 B9R1.6 N=C(N)C1=CC=CC=C1 SY018319 [1,0,0,0,1,0|1,0,1]=4 458 B9R1.6 N=C(N)C1=CC=CC=C1 SY035738 [1,0,0,0,1,0|1,0,1]=4 459 B9R1.6 NC(=O)C1=CC=CC=C1 SY047098 [1,0,0,0,1,0|1,0,1]=4 460 B9R1.13 CC(C)CC1=NNC=C1 SY025165 [1,0,0,0,1,0|2,0,0]=4 461 B9R1.13 CC(N)CC1=CSC=N1 SY271542 [1,0,0,0,1,0|2,0,0]=4 462 B9R1.13 CC(O)CC1=CC=CO1 SY021784 [1,0,0,0,1,0|2,0,0]=4 463 B9R1.13 CN(C)CC1=CC=CN1 SY017221 [1,0,0,0,1,0|2,0,0]=4 464 B9R1.13 CN(C)CC1=CNC=C1 SY274531 [1,0,0,0,1,0|2,0,0]=4