0 B10R1.18 BrC(Br)=CC1=CC=CC=C1 SY022051 [0,0,0,0,0,0|2,0,2]=4 1 B10R1.18 CC(=O)CC1=CC=NC=C1 SY002437 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.18 CC(=O)CC1=CC=NC=C1 SY005221 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.18 CC(=O)CC1=NC=CC=C1 SY002438 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.18 CC(C)=CC1=CC=CC=C1 SY055240 [0,0,0,0,0,0|1,0,2]=3 5 B10R1.18 CC(C)CC1=CC=NC=C1 SY028398 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.18 CC(O)CC1=CC=CC=C1 SY051093 [0,0,0,0,0,0|1,0,0]=1 7 B10R1.18 FC(F)CC1=CC=CC=C1 SY265774 [0,0,0,0,0,0|2,0,0]=2 8 B10R1.18 N=C(N)NC1=CC=CC=C1 SY059286 [0,0,0,0,0,0|2,0,1]=3 9 B10R1.18 NC(=O)CC1=CC=CC=C1 SY017094 [0,0,0,0,0,0|1,0,1]=2 10 B10R1.18 NC(=O)OC1=CC=CC=C1 SY109407 [0,0,0,0,0,0|2,0,1]=3 11 B10R1.18 NC(=S)NC1=NC=CC=C1 SY050007 [0,0,0,0,0,0|3,0,1]=4 12 B10R1.18 O=C(O)CC1=CC=CN=C1 SY001707 [0,0,0,0,0,0|3,0,1]=4 13 B10R1.18 O=C(O)CC1=CC=NC=C1 SY003595 [0,0,0,0,0,0|3,0,1]=4 14 B10R1.18 O=C(O)CC1=NC=CC=C1 SY003293 [0,0,0,0,0,0|3,0,1]=4 15 B9R1.8 BrCCC1=NC=CC=C1 SY004999 [1,0,0,0,0,0|2,0,0]=3 16 B9R1.8 CC#CC1=CC=CC=C1 SY048557 [1,0,0,0,0,0|0,0,2]=3 17 B9R1.8 CCCC1=CC=CCC1 SY292099 [1,0,0,0,0,0|0,0,2]=3 18 B9R1.8 CCCC1=NC=CC=C1 SY035538 [1,0,0,0,0,0|1,0,0]=2 19 B9R1.8 CNCC1=CC=CN=C1 SY002368 [1,0,0,0,0,0|2,0,0]=3 20 B9R1.8 CNCC1=CC=NC=C1 SY002386 [1,0,0,0,0,0|2,0,0]=3 21 B9R1.8 CNCC1=NC=CC=C1 SY003781 [1,0,0,0,0,0|2,0,0]=3 22 B9R1.8 COCC1=CC=CC=C1 SY049310 [1,0,0,0,0,0|1,0,0]=2 23 B9R1.8 N#CCC1=CC=NC=C1 SY012818 [1,0,0,0,0,0|1,0,2]=4 24 B9R1.8 N#COC1=CC=CC=C1 SY139763 [1,0,0,0,0,0|1,0,2]=4 25 B9R1.8 NCCC1=CC=CN=C1 SY003234 [1,0,0,0,0,0|1,0,0]=2 26 B9R1.8 NNCC1=CC=CC=C1 SY004756 [1,0,0,0,0,0|1,0,0]=2 27 B9R1.8 NNCC1=CC=CC=C1 SY004764 [1,0,0,0,0,0|1,0,0]=2 28 B9R1.8 NNCC1=NC=CC=C1 SY042125 [1,0,0,0,0,0|2,0,0]=3 29 B9R1.8 NOCC1=CC=CC=C1 SY005671 [1,0,0,0,0,0|1,0,0]=2 30 B9R1.8 NOCC1=CC=CC=C1 SY018100 [1,0,0,0,0,0|1,0,0]=2 31 B9R1.8 NOCC1=CC=CN=C1 SY029692 [1,0,0,0,0,0|2,0,0]=3 32 B9R1.8 NOCC1=CC=CN=C1 SY281597 [1,0,0,0,0,0|2,0,0]=3 33 B9R1.8 NOCC1=CC=NC=C1 SY281602 [1,0,0,0,0,0|2,0,0]=3 34 B9R1.8 NOCC1=CC=NC=C1 SY281603 [1,0,0,0,0,0|2,0,0]=3 35 B9R1.8 NOCC1=NC=CC=C1 SY281576 [1,0,0,0,0,0|2,0,0]=3 36 B9R1.8 NOCC1=NC=CC=C1 SY281577 [1,0,0,0,0,0|2,0,0]=3 37 B9R1.8 O=CNC1=CC=CC=C1 SY011224 [1,0,0,0,0,0|2,0,1]=4 38 B9R1.8 O=COC1=CC=CC=C1 SY106351 [1,0,0,0,0,0|2,0,1]=4 39 B9R1.8 OCCC1=CC=CN=C1 SY004170 [1,0,0,0,0,0|2,0,0]=3 40 B9R1.8 OCCC1=CC=NC=C1 SY001138 [1,0,0,0,0,0|2,0,0]=3 41 B9R1.8 OCCC1=NC=CN=C1 SY025413 [1,0,0,0,0,0|3,0,0]=4 42 B9R1.8 ONCC1=CC=CC=C1 SY019534 [1,0,0,0,0,0|2,0,0]=3 43 B9R1.8 ONCC1=CC=CC=C1 SY024088 [1,0,0,0,0,0|2,0,0]=3 44 B9R1.8 O\N=C\C1=CC=CC=C1 SY112944 [1,0,0,0,0,0|2,0,1]=4 45 B9R1.8 SCCC1=CC=CC=C1 SY039368 [1,0,0,0,0,0|1,0,0]=2 46 B9R1.8 [C-]#[N+]CC1=CC=NC=C1 SY263029 [1,0,0,0,0,0|2,0,1]=4 47 B11R1.20 CC(=O)CC1=CC=C(Br)C=C1 SY045434 [0,1,0,0,0,0|1,0,1]=3 48 B11R1.20 CC(=O)CC1=CC=C(C)C=C1 SY042746 [0,1,0,0,0,0|1,0,1]=3 49 B11R1.20 CC(=O)CC1=CC=C(Cl)C=C1 SY017113 [0,1,0,0,0,0|1,0,1]=3 50 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 SY017054 [0,1,0,0,0,0|1,0,1]=3 51 B11R1.20 CC(=O)NC1=CC=C(Br)C=C1 SY049651 [0,1,0,0,0,0|2,0,1]=4 52 B11R1.20 CC(=O)NC1=CC=C(C)C=C1 SY035719 [0,1,0,0,0,0|2,0,1]=4 53 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 SY001162 [0,1,0,0,0,0|2,0,1]=4 54 B11R1.20 CC(=O)OC1=CC=C(F)C=C1 SY016072 [0,1,0,0,0,0|2,0,1]=4 55 B11R1.20 CC(=O)OC1=CC=C(N)C=C1 SY233693 [0,1,0,0,0,0|2,0,1]=4 56 B11R1.20 CC(C)CC1=CC=C(N)C=C1 SY035752 [0,1,0,0,0,0|1,0,0]=2 57 B11R1.20 CC(C)NC1=CC=C(Cl)C=C1 SY262875 [0,1,0,0,0,0|2,0,0]=3 58 B11R1.20 CC(C)OC1=CC=C(N)C=C1 SY050495 [0,1,0,0,0,0|2,0,0]=3 59 B11R1.20 CC(C)OC1=CN=C(Br)C=C1 SY225423 [0,1,0,0,0,0|3,0,0]=4 60 B11R1.20 CC(C)OC1=NC=C(Br)C=C1 SY110382 [0,1,0,0,0,0|3,0,0]=4 61 B11R1.20 CC(C)SC1=CC=C(Cl)C=C1 SY293233 [0,1,0,0,0,0|2,0,0]=3 62 B11R1.20 CC1=CC=C(CC(=O)Cl)C=C1 SY246635 [0,1,0,0,0,0|2,0,1]=4 63 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 SY013543 [0,1,0,0,0,0|2,0,1]=4 64 B11R1.20 CN(C)CC1=CC=C(N)C=C1 SY003571 [0,1,0,0,0,0|2,0,0]=3 65 B11R1.20 CN(C)CC1=CN=C(N)C=C1 SY032104 [0,1,0,0,0,0|3,0,0]=4 66 B11R1.20 NC(=O)CC1=CC=C(Br)C=C1 SY132432 [0,1,0,0,0,0|1,0,1]=3 67 B11R1.20 NC(=O)CC1=CC=C(O)C=C1 SY001683 [0,1,0,0,0,0|1,0,1]=3 68 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 SY001637 [0,1,0,0,0,0|2,0,1]=4 69 B11R1.20 NC1=CC=C(OC(F)F)C=C1 SY001808 [0,1,0,0,0,0|3,0,0]=4 70 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 SY001685 [0,1,0,0,0,0|2,0,1]=4 71 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 SY001347 [0,1,0,0,0,0|2,0,1]=4 72 B11R1.20 O=C(O)CC1=CC=C(I)C=C1 SY016997 [0,1,0,0,0,0|2,0,1]=4 73 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 SY004128 [0,1,0,0,0,0|2,0,1]=4 74 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 SY036428 [0,1,0,0,0,0|1,0,2]=4 75 B11R1.36 CC(=O)C(O)C1=CC=CC=C1 SY028287 [0,1,0,0,0,0|1,0,1]=3 76 B11R1.36 CC(=O)N(C)C1=CC=CC=C1 SY053096 [0,1,0,0,0,0|2,0,1]=4 77 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 SY004963 [0,1,0,0,0,0|2,0,1]=4 78 B11R1.36 CC(C)C(=O)C1=CC=CN=C1 SY129311 [0,1,0,0,0,0|2,0,1]=4 79 B11R1.36 CC(C)C(=O)C1=NC=CC=C1 SY004992 [0,1,0,0,0,0|2,0,1]=4 80 B11R1.36 CC(C)C(N)C1=CC=CN=C1 SY014380 [0,1,0,0,0,0|2,0,0]=3 81 B11R1.36 CC(C)C(N)C1=CC=NC=C1 SY014381 [0,1,0,0,0,0|2,0,0]=3 82 B11R1.36 CC(C)C(N)C1=NC=CC=C1 SY014379 [0,1,0,0,0,0|2,0,0]=3 83 B11R1.36 CC(C)C(O)C1=CC=CN=C1 SY129322 [0,1,0,0,0,0|2,0,0]=3 84 B11R1.36 CN(C)C(=O)C1=CC=CC=C1 SY048849 [0,1,0,0,0,0|2,0,1]=4 85 B11R1.36 C[C@@H](C(=O)O)C1=CC=CC=C1 SY020842 [0,1,0,0,0,0|2,0,1]=4 86 B11R1.36 C[C@H](C(=O)O)C1=CC=CC=C1 SY021075 [0,1,0,0,0,0|2,0,1]=4 87 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 SY009237 [0,1,0,0,0,0|1,0,1]=3 88 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 SY006358 [0,1,0,0,0,0|2,0,1]=4 89 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 SY006196 [0,1,0,0,0,0|2,0,1]=4 90 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 SY005672 [0,1,0,0,0,0|2,0,1]=4 91 B11R1.36 O=C(C1=CC=CC=C1)C(F)F SY061919 [0,1,0,0,0,0|2,0,1]=4 92 B11R1.36 O=C(O)C(Cl)C1=CC=CC=C1 SY110356 [0,1,0,0,0,0|2,0,1]=4 93 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 SY001670 [0,1,0,0,0,0|2,0,1]=4 94 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 SY289327 [0,1,0,0,0,0|2,0,1]=4 95 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 SY001645 [0,1,0,0,0,0|2,0,1]=4 96 B11R1.40 CC(C#N)NC1=CC=CC=C1 SY027832 [0,1,0,0,0,0|1,0,1]=3 97 B11R1.40 COC(=O)CC1=CC=CN=C1 SY014800 [0,1,0,0,0,0|2,0,1]=4 98 B11R1.40 COC(=O)CC1=CC=CN=C1 SY033634 [0,1,0,0,0,0|2,0,1]=4 99 B11R1.40 COC(=O)CC1=CC=NC=C1 SY003565 [0,1,0,0,0,0|2,0,1]=4 100 B11R1.40 COC(=O)CC1=CC=NC=C1 SY007994 [0,1,0,0,0,0|2,0,1]=4 101 B11R1.40 COC(=O)CC1=NC=CC=C1 SY030291 [0,1,0,0,0,0|2,0,1]=4 102 B11R1.40 N#CC(=O)CC1=CC=CC=C1 SY235509 [0,1,0,0,0,0|1,0,2]=4 103 B11R1.40 NC(CF)CC1=CC=CC=C1 SY045874 [0,1,0,0,0,0|0,0,0]=1 104 B11R1.40 NC(CO)CC1=CC=CC=C1 SY030554 [0,1,0,0,0,0|0,0,0]=1 105 B11R1.40 NNC(=O)CC1=CC=CC=C1 SY032275 [0,1,0,0,0,0|1,0,1]=3 106 B11R1.40 NNC(=O)OC1=CC=CC=C1 SY262826 [0,1,0,0,0,0|2,0,1]=4 107 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 SY013878 [0,1,0,0,0,0|0,0,0]=1 108 B11R1.40 N[C@H](CF)CC1=CC=CC=C1 SY045873 [0,1,0,0,0,0|0,0,0]=1 109 B11R1.40 O=C(CBr)OC1=CC=CC=C1 SY036432 [0,1,0,0,0,0|2,0,1]=4 110 B11R1.40 ON=C(Cl)CC1=CC=CC=C1 SY039705 [0,1,0,0,0,0|1,0,2]=4 111 B11R1.86 CC(=O)CC1=C(Br)C=CC=C1 SY011510 [0,1,0,0,0,0|1,0,1]=3 112 B11R1.86 CC(=O)CC1=C(Cl)C=CC=C1 SY037165 [0,1,0,0,0,0|1,0,1]=3 113 B11R1.86 CC(=O)NC1=C(Br)C=CC=C1 SY034454 [0,1,0,0,0,0|2,0,1]=4 114 B11R1.86 CC(=O)NC1=C(O)C=CC=C1 SY004721 [0,1,0,0,0,0|2,0,1]=4 115 B11R1.86 CC(=O)NC1=CC=CC=C1Cl SY048591 [0,1,0,0,0,0|2,0,1]=4 116 B11R1.86 CC(=O)NC1=CC=CC=C1N SY050887 [0,1,0,0,0,0|2,0,1]=4 117 B11R1.86 CC(=O)OC1=CC=CC=C1Br SY265515 [0,1,0,0,0,0|2,0,1]=4 118 B11R1.86 CC(=O)OC1=CC=CC=C1C SY052277 [0,1,0,0,0,0|2,0,1]=4 119 B11R1.86 CC(=O)OC1=CC=CC=C1F SY224313 [0,1,0,0,0,0|2,0,1]=4 120 B11R1.86 CC(C)CC1=CC=CC=C1N SY036357 [0,1,0,0,0,0|1,0,0]=2 121 B11R1.86 CC(C)NC1=CC=CC=C1S SY232861 [0,1,0,0,0,0|2,0,0]=3 122 B11R1.86 CC(C)OC1=CC=CC=C1N SY006071 [0,1,0,0,0,0|2,0,0]=3 123 B11R1.86 CC(C)OC1=CC=CC=C1O SY062038 [0,1,0,0,0,0|2,0,0]=3 124 B11R1.86 CC(C)OC1=NC=CC=C1Br SY077021 [0,1,0,0,0,0|3,0,0]=4 125 B11R1.86 CC(C)SC1=CC=CC=C1N SY123012 [0,1,0,0,0,0|2,0,0]=3 126 B11R1.86 CC1=CC=CC=C1CC(=O)O SY003130 [0,1,0,0,0,0|2,0,1]=4 127 B11R1.86 FC(F)OC1=CC=CC=C1Br SY024312 [0,1,0,0,0,0|3,0,0]=4 128 B11R1.86 N=C(N)CC1=C(Cl)C=CC=C1 SY003979 [0,1,0,0,0,0|1,0,1]=3 129 B11R1.86 NC(=O)CC1=CC=CC=C1Cl SY016301 [0,1,0,0,0,0|1,0,1]=3 130 B11R1.86 NC(=S)NC1=CC=CC=C1F SY038266 [0,1,0,0,0,0|2,0,1]=4 131 B11R1.86 NC1=C(OC(F)F)C=CC=C1 SY016473 [0,1,0,0,0,0|3,0,0]=4 132 B11R1.86 NC1=CC=CC=C1CC(=O)O SY101243 [0,1,0,0,0,0|2,0,1]=4 133 B11R1.86 O=C(O)CC1=CC=CC=C1Br SY003588 [0,1,0,0,0,0|2,0,1]=4 134 B11R1.86 O=C(O)CC1=CC=CC=C1F SY003125 [0,1,0,0,0,0|2,0,1]=4 135 B11R1.86 O=C(O)CC1=CC=CC=C1I SY035508 [0,1,0,0,0,0|2,0,1]=4 136 B11R1.157 CC(=O)CC1=CC=CC(Cl)=C1 SY050661 [0,1,0,0,0,0|1,0,1]=3 137 B11R1.157 CC(=O)CC1=NC=CC(Br)=C1 SY249484 [0,1,0,0,0,0|2,0,1]=4 138 B11R1.157 CC(=O)NC1=CC=CC(F)=C1 SY040632 [0,1,0,0,0,0|2,0,1]=4 139 B11R1.157 CC(=O)NC1=CC=CC(N)=C1 SY006038 [0,1,0,0,0,0|2,0,1]=4 140 B11R1.157 CC(=O)OC1=CC=CC(Cl)=C1 SY224191 [0,1,0,0,0,0|2,0,1]=4 141 B11R1.157 CC(=O)OC1=CC=CC(F)=C1 SY042571 [0,1,0,0,0,0|2,0,1]=4 142 B11R1.157 CC(C)OC1=NC=CC(Br)=C1 SY111491 [0,1,0,0,0,0|3,0,0]=4 143 B11R1.157 CC(O)CC1=NC=CC(Br)=C1 SY247891 [0,1,0,0,0,0|2,0,0]=3 144 B11R1.157 CC1=CC(CC(=O)O)=CC=C1 SY048780 [0,1,0,0,0,0|2,0,1]=4 145 B11R1.157 CN(C)CC1=CC(Br)=NC=C1 SY292037 [0,1,0,0,0,0|3,0,0]=4 146 B11R1.157 FC(F)OC1=CC(Br)=CC=C1 SY018958 [0,1,0,0,0,0|3,0,0]=4 147 B11R1.157 NC(=O)CC1=CC=CC(Br)=C1 SY274676 [0,1,0,0,0,0|1,0,1]=3 148 B11R1.157 NC(=S)NC1=CC=CC(Br)=C1 SY017108 [0,1,0,0,0,0|2,0,1]=4 149 B11R1.157 NC1=CC=CC(OC(F)F)=C1 SY002018 [0,1,0,0,0,0|3,0,0]=4 150 B11R1.157 O=C(O)CC1=CC=CC(Br)=C1 SY004367 [0,1,0,0,0,0|2,0,1]=4 151 B11R1.157 O=C(O)CC1=CC=CC(Cl)=C1 SY004837 [0,1,0,0,0,0|2,0,1]=4 152 B11R1.157 O=C(O)CC1=CC=CC(F)=C1 SY001712 [0,1,0,0,0,0|2,0,1]=4 153 B11R1.157 O=C(O)CC1=CC=CC(I)=C1 SY032267 [0,1,0,0,0,0|2,0,1]=4 154 B11R1.157 O=C(O)CC1=CC=CC(O)=C1 SY013505 [0,1,0,0,0,0|2,0,1]=4 155 B11R1.509 CC(C)(C)OC1=CC=CC=C1 SY101875 [0,1,0,0,0,0|2,0,0]=3 156 B11R1.509 CC(C)(Cl)CC1=CC=CC=C1 SY096691 [0,1,0,0,0,0|1,0,0]=2 157 B11R1.509 CC(C)(O)CC1=CC=CC=C1 SY047029 [0,1,0,0,0,0|1,0,0]=2 158 B11R1.509 CS(=O)(=O)OC1=CC=CC=C1 SY050523 [0,1,0,0,0,0|3,0,0]=4 159 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 SY003488 [0,1,0,0,0,0|2,0,0]=3 160 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 SY011391 [0,1,0,0,0,0|2,0,0]=3 161 B11R1.509 C[Si](C)(C)OC1=CC=CC=C1 SY041912 [0,1,0,0,0,0|2,1,0]=4 162 B11R1.509 F[B-](F)(F)CC1=CC=CC=C1 SY074951 [0,1,0,0,0,0|3,0,0]=4 163 B11R1.509 NS(=O)(=O)CC1=CC=CC=C1 SY048725 [0,1,0,0,0,0|2,0,0]=3 164 B11R1.509 NS(=O)(=O)CC1=CC=NC=C1 SY270854 [0,1,0,0,0,0|3,0,0]=4 165 B11R1.509 O=S(=O)(F)CC1=CC=CC=C1 SY038235 [0,1,0,0,0,0|3,0,0]=4 166 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 SY277942 [0,0,0,1,0,0|0,0,0]=1 167 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 SY037504 [0,0,0,1,0,0|0,0,0]=1 168 B11R2.10 BrC1=CC2=C(C=CC=C2)C1 SY004720 [0,0,0,1,0,0|1,0,2]=4 169 B11R2.10 BrC1=NC2=CC=CC=C2N1 SY050717 [0,0,0,1,0,0|2,0,1]=4 170 B11R2.10 BrC1CC2=C(C=CC=C2)C1 SY185759 [0,0,0,1,0,0|1,0,0]=2 171 B11R2.10 CC1=CC2=C(C=CC=C2)C1 SY037985 [0,0,0,1,0,0|1,0,1]=3 172 B11R2.10 CC1=CC2=CC=CC=C2O1 SY039830 [0,0,0,1,0,0|1,0,2]=4 173 B11R2.10 CC1=NC2=CC=CC=C2N1 SY015991 [0,0,0,1,0,0|1,0,1]=3 174 B11R2.10 CC1=NC2=CC=CC=C2O1 SY048477 [0,0,0,1,0,0|1,0,2]=4 175 B11R2.10 CC1=NC2=CC=CC=C2S1 SY001190 [0,0,0,1,0,0|1,0,2]=4 176 B11R2.10 CC1CC2=C(C=CC=C2)N1 SY014921 [0,0,0,1,0,0|0,0,0]=1 177 B11R2.10 ClC1=CC2=C(C=CC=C2)N1 SY115626 [0,0,0,1,0,0|1,0,2]=4 178 B11R2.10 ClC1=NC2=C(C=CC=C2)N1 SY004072 [0,0,0,1,0,0|2,0,1]=4 179 B11R2.10 NC1=NC2=C(C=CC=C2)O1 SY010713 [0,0,0,1,0,0|2,0,1]=4 180 B11R2.10 NC1=NC2=CC=CC=C2N1 SY032901 [0,0,0,1,0,0|2,0,1]=4 181 B11R2.10 O=C1CC2=C(C=CC=C2)C1 SY001481 [0,0,0,1,0,0|1,0,1]=3 182 B11R2.10 O=C1CC2=C(C=CC=C2)O1 SY038967 [0,0,0,1,0,0|2,0,1]=4 183 B11R2.10 O=C1CC2=CC=CC=C2N1 SY004718 [0,0,0,1,0,0|1,0,1]=3 184 B11R2.10 O=C1CC2=CC=CN=C2N1 SY008090 [0,0,0,1,0,0|2,0,1]=4 185 B11R2.10 O=C1NC2=C(C=CC=C2)O1 SY007021 [0,0,0,1,0,0|2,0,1]=4 186 B11R2.10 OC1=NC2=CC=CC=C2N1 SY033248 [0,0,0,1,0,0|2,0,1]=4 187 B11R2.10 OC1CC2=C(C=CC=C2)C1 SY033139 [0,0,0,1,0,0|1,0,0]=2 188 B11R2.238 C1=CC=C(NC2CC2)C=C1 SY207735 [0,0,0,1,0,0|2,0,0]=3 189 B9R1.6 C1=CC=C(B(O)O)C=C1 SY257095 [0,0,0,0,1,0|3,0,0]=4 190 B9R1.6 C=C(Br)C1=CC=CC=C1 SY011143 [0,0,0,0,1,0|1,0,2]=4 191 B9R1.6 C=C(C)C1=NC=CC=C1 SY225338 [0,0,0,0,1,0|2,0,1]=4 192 B9R1.6 CC(=O)C1=CC=NC=C1 SY005519 [0,0,0,0,1,0|2,0,1]=4 193 B9R1.6 CC(C)C1=CC=CCC1 SY292102 [0,0,0,0,1,0|1,0,2]=4 194 B9R1.6 CC(C)C1=CCCC=C1 SY292103 [0,0,0,0,1,0|1,0,2]=4 195 B9R1.6 CC(N)C1=CC=CN=C1 SY005518 [0,0,0,0,1,0|1,0,0]=2 196 B9R1.6 CC(N)C1=CC=NC=C1 SY005514 [0,0,0,0,1,0|1,0,0]=2 197 B9R1.6 CC(N)C1=CC=NN=C1 SY245175 [0,0,0,0,1,0|2,0,0]=3 198 B9R1.6 CC(N)C1=NC=CC=C1 SY005425 [0,0,0,0,1,0|1,0,0]=2 199 B9R1.6 CC(N)C1=NC=CC=C1 SY023696 [0,0,0,0,1,0|1,0,0]=2 200 B9R1.6 CC(N)C1=NC=CC=N1 SY270479 [0,0,0,0,1,0|2,0,0]=3 201 B9R1.6 CC(N)C1=NC=CN=C1 SY107192 [0,0,0,0,1,0|2,0,0]=3 202 B9R1.6 CC(O)C1=CC=CN=C1 SY006085 [0,0,0,0,1,0|2,0,0]=3 203 B9R1.6 CC(O)C1=CC=NC=C1 SY006084 [0,0,0,0,1,0|2,0,0]=3 204 B9R1.6 CC(O)C1=NC=CC=C1 SY004070 [0,0,0,0,1,0|2,0,0]=3 205 B9R1.6 C[C@@H](N)C1=CC=CN=C1 SY105422 [0,0,0,0,1,0|1,0,0]=2 206 B9R1.6 C[C@@H](N)C1=CC=NC=C1 SY011547 [0,0,0,0,1,0|1,0,0]=2 207 B9R1.6 C[C@@H](N)C1=CC=NC=C1 SY253760 [0,0,0,0,1,0|1,0,0]=2 208 B9R1.6 C[C@@H](N)C1=NC=CC=C1 SY016895 [0,0,0,0,1,0|1,0,0]=2 209 B9R1.6 C[C@@H](N)C1=NC=CC=N1 SY310791 [0,0,0,0,1,0|2,0,0]=3 210 B9R1.6 C[C@@H](O)C1=CC=CC=C1 SY007833 [0,0,0,0,1,0|1,0,0]=2 211 B9R1.6 C[C@@H](O)C1=CN=CC=C1 SY008212 [0,0,0,0,1,0|2,0,0]=3 212 B9R1.6 C[C@@H](O)C1=NC=CC=C1 SY009224 [0,0,0,0,1,0|2,0,0]=3 213 B9R1.6 C[C@H](N)C1=CC=CN=C1 SY033903 [0,0,0,0,1,0|1,0,0]=2 214 B9R1.6 C[C@H](N)C1=CC=NC=C1 SY011546 [0,0,0,0,1,0|1,0,0]=2 215 B9R1.6 C[C@H](N)C1=NC=CC=C1 SY010698 [0,0,0,0,1,0|1,0,0]=2 216 B9R1.6 C[C@H](O)C1=CN=CC=C1 SY008211 [0,0,0,0,1,0|2,0,0]=3 217 B9R1.6 ClC(Cl)C1=CC=NC=C1 SY266181 [0,0,0,0,1,0|3,0,0]=4 218 B9R1.6 FC(F)C1=CC=CC=C1 SY024386 [0,0,0,0,1,0|2,0,0]=3 219 B9R1.6 N=C(N)C1=CC=CC=C1 SY018319 [0,0,0,0,1,0|1,0,1]=3 220 B9R1.6 N=C(N)C1=CC=CC=C1 SY035738 [0,0,0,0,1,0|1,0,1]=3 221 B9R1.6 N=C(N)C1=CC=NC=C1 SY018012 [0,0,0,0,1,0|2,0,1]=4 222 B9R1.6 N=C(N)C1=CN=CC=C1 SY007646 [0,0,0,0,1,0|2,0,1]=4 223 B9R1.6 N=C(N)C1=NC=CC=C1 SY018011 [0,0,0,0,1,0|2,0,1]=4 224 B9R1.6 NC(=O)C1=CC=CC=C1 SY047098 [0,0,0,0,1,0|1,0,1]=3 225 B9R1.6 NC(=O)C1=CC=NC=C1 SY018471 [0,0,0,0,1,0|2,0,1]=4 226 B9R1.6 NC(=O)C1=CN=CC=C1 SY024804 [0,0,0,0,1,0|2,0,1]=4 227 B9R1.6 NC(=O)C1=NC=CC=C1 SY048638 [0,0,0,0,1,0|2,0,1]=4 228 B9R1.6 NC(=S)C1=CC=CN=C1 SY026920 [0,0,0,0,1,0|2,0,1]=4 229 B9R1.6 NC(=S)C1=CC=NC=C1 SY026921 [0,0,0,0,1,0|2,0,1]=4 230 B9R1.6 NC(=S)C1=NC=CC=C1 SY032222 [0,0,0,0,1,0|2,0,1]=4 231 B9R1.6 O=C(O)C1=CC=CC=C1 SY009192 [0,0,0,0,1,0|2,0,1]=4 232 B9R1.6 O=C([O-])C1=CC=CC=C1 SY010134 [0,0,0,0,1,0|2,0,1]=4 233 B9R1.6 OB(O)C1=CC=CC=C1 SY001599 [0,0,0,0,1,0|3,0,0]=4 234 B9R1.13 CC(C)CC1=NNC=C1 SY025165 [0,0,0,0,1,0|3,0,0]=4 235 B9R1.13 CC(N)CC1=CSC=N1 SY271542 [0,0,0,0,1,0|2,0,0]=3 236 B9R1.13 CC(O)CC1=CC=CO1 SY021784 [0,0,0,0,1,0|2,0,0]=3 237 B9R1.13 CN(C)CC1=CC=CN1 SY017221 [0,0,0,0,1,0|3,0,0]=4 238 B9R1.13 CN(C)CC1=CNC=C1 SY274531 [0,0,0,0,1,0|3,0,0]=4 239 B11R1.91 CC(=O)C#CC1=CC=CC=C1 SY051763 [0,0,0,0,0,1|1,0,2]=4 240 B11R1.91 CC(=O)CCC1=CC=CC=C1 SY013502 [0,0,0,0,0,1|1,0,1]=3 241 B11R1.91 CC(=O)COC1=NC=CC=C1 SY251719 [0,0,0,0,0,1|2,0,1]=4 242 B11R1.91 CC(C)NCC1=CC=CC=C1 SY032809 [0,0,0,0,0,1|1,0,0]=2 243 B11R1.91 CC(C)NCC1=CC=CN=C1 SY028833 [0,0,0,0,0,1|2,0,0]=3 244 B11R1.91 CC(C)NCC1=CC=NC=C1 SY028832 [0,0,0,0,0,1|2,0,0]=3 245 B11R1.91 N=C(N)COC1=CC=CC=C1 SY003970 [0,0,0,0,0,1|1,0,1]=3 246 B11R1.91 NC(=O)CCC1=CC=CN=C1 SY022419 [0,0,0,0,0,1|2,0,1]=4 247 B11R1.91 NC(=O)CCC1=CC=NC=C1 SY022418 [0,0,0,0,0,1|2,0,1]=4 248 B11R1.91 NC(=O)CCC1=NC=CC=C1 SY022420 [0,0,0,0,0,1|2,0,1]=4 249 B11R1.91 NC(=O)NCC1=CC=CC=C1 SY049437 [0,0,0,0,0,1|1,0,1]=3 250 B11R1.91 NC(=O)OCC1=CC=CC=C1 SY015067 [0,0,0,0,0,1|1,0,1]=3 251 B11R1.91 O=C(O)CCC1=CC=CC=C1 SY001654 [0,0,0,0,0,1|2,0,1]=4 252 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 SY043104 [0,0,0,0,0,1|3,0,0]=4 253 B11R1.91 OB(O)CCC1=CC=CC=C1 SY014651 [0,0,0,0,0,1|3,0,0]=4 254 B8R1.2 BrCC1=CC=CN=C1 SY002302 [2,0,0,0,0,0|2,0,0]=4 255 B8R1.2 CCC1=CCCC=C1 SY292098 [2,0,0,0,0,0|0,0,2]=4 256 B8R1.2 CC[N+]1=CC=CC=C1 SY073856 [2,0,0,0,0,0|1,0,0]=3 257 B8R1.2 CNC1=CC=CN=C1 SY019910 [2,0,0,0,0,0|2,0,0]=4 258 B8R1.2 CNC1=CC=NC=C1 SY007759 [2,0,0,0,0,0|2,0,0]=4 259 B8R1.2 COC1=CC=CN=C1 SY024150 [2,0,0,0,0,0|2,0,0]=4 260 B8R1.2 COC1=CC=NC=C1 SY003216 [2,0,0,0,0,0|2,0,0]=4 261 B8R1.2 CSC1=NC=CC=C1 SY015557 [2,0,0,0,0,0|2,0,0]=4 262 B8R1.2 ICC1=CC=CN=C1 SY027729 [2,0,0,0,0,0|2,0,0]=4 263 B8R1.2 N#CC1=CC=CC=C1 SY007899 [2,0,0,0,0,0|0,0,2]=4 264 B8R1.2 NCC1=CC=CC=C1 SY020429 [2,0,0,0,0,0|0,0,0]=2 265 B8R1.2 NCC1=CN=CN=C1 SY104794 [2,0,0,0,0,0|2,0,0]=4 266 B8R1.2 NCC1=NC=CC=N1 SY019710 [2,0,0,0,0,0|2,0,0]=4 267 B8R1.2 NCC1=NC=CC=N1 SY019711 [2,0,0,0,0,0|2,0,0]=4 268 B8R1.2 NCC1=NC=CN=C1 SY006799 [2,0,0,0,0,0|2,0,0]=4 269 B8R1.2 NCC1=NC=CN=C1 SY020278 [2,0,0,0,0,0|2,0,0]=4 270 B8R1.2 NCC1=NC=NC=C1 SY041990 [2,0,0,0,0,0|2,0,0]=4 271 B8R1.2 NNC1=CC=CC=N1 SY013843 [2,0,0,0,0,0|2,0,0]=4 272 B8R1.2 NNC1=CC=CN=C1 SY018650 [2,0,0,0,0,0|2,0,0]=4 273 B8R1.2 NNC1=CC=NC=C1 SY041995 [2,0,0,0,0,0|2,0,0]=4 274 B8R1.2 NNC1=CC=NC=C1 SY128124 [2,0,0,0,0,0|2,0,0]=4 275 B8R1.2 NOC1=CC=CC=C1 SY116626 [2,0,0,0,0,0|1,0,0]=3 276 B8R1.2 NOC1=CC=CN=C1 SY282516 [2,0,0,0,0,0|2,0,0]=4 277 B8R1.2 NOC1=CC=CN=C1 SY282517 [2,0,0,0,0,0|2,0,0]=4 278 B8R1.2 NOC1=CC=NC=C1 SY282541 [2,0,0,0,0,0|2,0,0]=4 279 B8R1.2 NOC1=CC=NC=C1 SY282542 [2,0,0,0,0,0|2,0,0]=4 280 B8R1.2 O=NC1=CC=CC=C1 SY031930 [2,0,0,0,0,0|2,0,0]=4 281 B8R1.2 OCC1=CC=CC=N1 SY005684 [2,0,0,0,0,0|2,0,0]=4 282 B8R1.2 OCC1=CC=CN=C1 SY001086 [2,0,0,0,0,0|2,0,0]=4 283 B8R1.2 OCC1=CC=NC=C1 SY003306 [2,0,0,0,0,0|2,0,0]=4 284 B8R1.2 [C-]#[N+]C1=CC=CC=C1 SY243548 [2,0,0,0,0,0|1,0,1]=4 285 B10R1.1 C=CCC1=CC=C(O)C=C1 SY045829 [1,1,0,0,0,0|0,0,2]=4 286 B10R1.1 CC1=CC=C(CCO)C=C1 SY036805 [1,1,0,0,0,0|1,0,0]=3 287 B10R1.1 CC1=CC=C(CNN)C=C1 SY048073 [1,1,0,0,0,0|1,0,0]=3 288 B10R1.1 CCCC1=CC=C(Br)C=C1 SY016468 [1,1,0,0,0,0|0,0,0]=2 289 B10R1.1 CCOC1=CC=C(Br)C=C1 SY001830 [1,1,0,0,0,0|1,0,0]=3 290 B10R1.1 CCOC1=CC=C(I)C=C1 SY018622 [1,1,0,0,0,0|1,0,0]=3 291 B10R1.1 CCOC1=CC=C(O)C=C1 SY015677 [1,1,0,0,0,0|1,0,0]=3 292 B10R1.1 CCOC1=NC=C(Br)C=C1 SY018882 [1,1,0,0,0,0|2,0,0]=4 293 B10R1.1 CNCC1=CC=C(Br)C=C1 SY002627 [1,1,0,0,0,0|1,0,0]=3 294 B10R1.1 CNCC1=CC=C(Br)C=C1 SY006057 [1,1,0,0,0,0|1,0,0]=3 295 B10R1.1 CNCC1=CC=C(C)C=C1 SY004191 [1,1,0,0,0,0|1,0,0]=3 296 B10R1.1 CNCC1=CC=C(C)C=C1 SY016090 [1,1,0,0,0,0|1,0,0]=3 297 B10R1.1 CNCC1=CC=C(Cl)C=C1 SY002430 [1,1,0,0,0,0|1,0,0]=3 298 B10R1.1 CNCC1=CC=C(Cl)C=C1 SY002434 [1,1,0,0,0,0|1,0,0]=3 299 B10R1.1 CNCC1=CC=C(F)C=C1 SY002630 [1,1,0,0,0,0|1,0,0]=3 300 B10R1.1 CNCC1=CC=C(N)C=C1 SY003698 [1,1,0,0,0,0|1,0,0]=3 301 B10R1.1 CNCC1=CC=C(O)C=C1 SY018667 [1,1,0,0,0,0|1,0,0]=3 302 B10R1.1 CNCC1=CN=C(C)C=C1 SY031591 [1,1,0,0,0,0|2,0,0]=4 303 B10R1.1 COCC1=CC=C(N)C=C1 SY003771 [1,1,0,0,0,0|1,0,0]=3 304 B10R1.1 COCC1=CC=C(O)C=C1 SY026430 [1,1,0,0,0,0|1,0,0]=3 305 B10R1.1 C\C=C/C1=CC=C(N)C=C1 SY293239 [1,1,0,0,0,0|0,0,2]=4 306 B10R1.1 ClC1=CC=C(CCBr)C=C1 SY101293 [1,1,0,0,0,0|1,0,0]=3 307 B10R1.1 ClCOC1=CC=C(Br)C=C1 SY298491 [1,1,0,0,0,0|2,0,0]=4 308 B10R1.1 ClCOC1=CC=C(I)C=C1 SY298419 [1,1,0,0,0,0|2,0,0]=4 309 B10R1.1 FC1=CC=C(CCBr)C=C1 SY004855 [1,1,0,0,0,0|1,0,0]=3 310 B10R1.1 N#CCC1=CC=C(I)C=C1 SY030019 [1,1,0,0,0,0|0,0,2]=4 311 B10R1.1 N#CCC1=CC=C(N)C=C1 SY015676 [1,1,0,0,0,0|0,0,2]=4 312 B10R1.1 NC1=CC=C(CCO)C=C1 SY030989 [1,1,0,0,0,0|1,0,0]=3 313 B10R1.1 NCCC1=CC=C(Br)C=C1 SY004635 [1,1,0,0,0,0|0,0,0]=2 314 B10R1.1 NCCC1=CC=C(Cl)C=C1 SY006689 [1,1,0,0,0,0|0,0,0]=2 315 B10R1.1 NCCC1=CC=C(F)C=C1 SY279169 [1,1,0,0,0,0|0,0,0]=2 316 B10R1.1 NCCC1=CC=C(N)C=C1 SY002473 [1,1,0,0,0,0|0,0,0]=2 317 B10R1.1 NCCC1=CC=C(O)C=C1 SY002127 [1,1,0,0,0,0|0,0,0]=2 318 B10R1.1 NCCC1=CC=C(O)C=C1 SY057039 [1,1,0,0,0,0|0,0,0]=2 319 B10R1.1 NNCC1=CC=C(Br)C=C1 SY048080 [1,1,0,0,0,0|1,0,0]=3 320 B10R1.1 NOCC1=CC=C(Br)C=C1 SY281555 [1,1,0,0,0,0|1,0,0]=3 321 B10R1.1 NOCC1=CC=C(Br)C=C1 SY281556 [1,1,0,0,0,0|1,0,0]=3 322 B10R1.1 NOCC1=CC=C(F)C=C1 SY246091 [1,1,0,0,0,0|1,0,0]=3 323 B10R1.1 NOCC1=CC=C(I)C=C1 SY281768 [1,1,0,0,0,0|1,0,0]=3 324 B10R1.1 NOCC1=CC=C(I)C=C1 SY281769 [1,1,0,0,0,0|1,0,0]=3 325 B10R1.1 NOCC1=NC=C(Br)C=C1 SY281642 [1,1,0,0,0,0|2,0,0]=4 326 B10R1.1 NOCC1=NC=C(Br)C=C1 SY281643 [1,1,0,0,0,0|2,0,0]=4 327 B10R1.1 NOCC1=NC=C(Cl)C=C1 SY281648 [1,1,0,0,0,0|2,0,0]=4 328 B10R1.1 NOCC1=NC=C(Cl)C=C1 SY281649 [1,1,0,0,0,0|2,0,0]=4 329 B10R1.1 O=CCC1=CC=C(Br)C=C1 SY110273 [1,1,0,0,0,0|1,0,1]=4 330 B10R1.1 OC1=CC=C(CCBr)C=C1 SY020164 [1,1,0,0,0,0|1,0,0]=3 331 B10R1.1 OCCC1=CC=C(Br)C=C1 SY002573 [1,1,0,0,0,0|1,0,0]=3 332 B10R1.1 OCCC1=CC=C(Br)N=C1 SY253046 [1,1,0,0,0,0|2,0,0]=4 333 B10R1.1 OCCC1=CC=C(Cl)C=C1 SY018274 [1,1,0,0,0,0|1,0,0]=3 334 B10R1.1 OCCC1=CC=C(Cl)N=C1 SY035951 [1,1,0,0,0,0|2,0,0]=4 335 B10R1.1 OCCC1=CC=C(F)C=C1 SY016325 [1,1,0,0,0,0|1,0,0]=3 336 B10R1.1 OCCC1=CC=C(F)N=C1 SY262258 [1,1,0,0,0,0|2,0,0]=4 337 B10R1.1 OCCC1=CC=C(I)C=C1 SY105110 [1,1,0,0,0,0|1,0,0]=3 338 B10R1.1 OCCC1=CC=C(O)C=C1 SY001653 [1,1,0,0,0,0|1,0,0]=3 339 B10R1.1 OCCC1=NC=C(Br)C=C1 SY234050 [1,1,0,0,0,0|2,0,0]=4 340 B10R1.4 CC1=CC=CC=C1CCO SY036944 [1,1,0,0,0,0|1,0,0]=3 341 B10R1.4 CC1=CC=CC=C1OCCl SY298330 [1,1,0,0,0,0|2,0,0]=4 342 B10R1.4 CCNC1=NC=CC=C1N SY184449 [1,1,0,0,0,0|2,0,0]=4 343 B10R1.4 CCOC1=C(Br)C=CC=C1 SY018463 [1,1,0,0,0,0|1,0,0]=3 344 B10R1.4 CCOC1=C(C)C=CN=C1 SY129406 [1,1,0,0,0,0|2,0,0]=4 345 B10R1.4 CCOC1=CC=CN=C1F SY035897 [1,1,0,0,0,0|2,0,0]=4 346 B10R1.4 CCOC1=CC=CNC1=O SY023905 [1,1,0,0,0,0|2,0,0]=4 347 B10R1.4 CCOC1=NC=CC=C1Br SY053418 [1,1,0,0,0,0|2,0,0]=4 348 B10R1.4 CCSC1=CC=CN=C1Br SY285813 [1,1,0,0,0,0|2,0,0]=4 349 B10R1.4 CCSC1=CC=CN=C1F SY285811 [1,1,0,0,0,0|2,0,0]=4 350 B10R1.4 CNCC1=C(Br)C=CC=C1 SY005450 [1,1,0,0,0,0|1,0,0]=3 351 B10R1.4 CNCC1=CC=CC=C1C SY021461 [1,1,0,0,0,0|1,0,0]=3 352 B10R1.4 CNCC1=CC=CC=C1Cl SY023323 [1,1,0,0,0,0|1,0,0]=3 353 B10R1.4 CNCC1=CC=CC=C1F SY005451 [1,1,0,0,0,0|1,0,0]=3 354 B10R1.4 CNCC1=CC=CN=C1C SY031590 [1,1,0,0,0,0|2,0,0]=4 355 B10R1.4 COCC1=CC=CC=C1O SY026429 [1,1,0,0,0,0|1,0,0]=3 356 B10R1.4 ClC1=C(CCBr)C=CC=C1 SY004845 [1,1,0,0,0,0|1,0,0]=3 357 B10R1.4 ClCOC1=C(I)C=CC=C1 SY298441 [1,1,0,0,0,0|2,0,0]=4 358 B10R1.4 ClCOC1=CC=CC=C1Br SY298326 [1,1,0,0,0,0|2,0,0]=4 359 B10R1.4 ClCOC1=CC=CC=C1Cl SY298558 [1,1,0,0,0,0|2,0,0]=4 360 B10R1.4 FC1=CC=CC=C1CCCl SY035952 [1,1,0,0,0,0|1,0,0]=3 361 B10R1.4 N#CCC1=C(N)C=CC=C1 SY011031 [1,1,0,0,0,0|0,0,2]=4 362 B10R1.4 N#CCC1=CC=CC=C1I SY101179 [1,1,0,0,0,0|0,0,2]=4 363 B10R1.4 N#CCC1=CC=CC=C1O SY012295 [1,1,0,0,0,0|0,0,2]=4 364 B10R1.4 NCCC1=CC=CC=C1N SY104426 [1,1,0,0,0,0|0,0,0]=2 365 B10R1.4 NCCC1=CC=CC=C1O SY040467 [1,1,0,0,0,0|0,0,0]=2 366 B10R1.4 NNCC1=CC=CC=C1Br SY048078 [1,1,0,0,0,0|1,0,0]=3 367 B10R1.4 NNCC1=CC=CC=C1Cl SY040715 [1,1,0,0,0,0|1,0,0]=3 368 B10R1.4 NNCC1=CC=CC=C1F SY033589 [1,1,0,0,0,0|1,0,0]=3 369 B10R1.4 NOCC1=C(Br)C=NC=C1 SY281604 [1,1,0,0,0,0|2,0,0]=4 370 B10R1.4 NOCC1=C(Br)C=NC=C1 SY281605 [1,1,0,0,0,0|2,0,0]=4 371 B10R1.4 NOCC1=C(F)C=NC=C1 SY281606 [1,1,0,0,0,0|2,0,0]=4 372 B10R1.4 NOCC1=C(F)C=NC=C1 SY281607 [1,1,0,0,0,0|2,0,0]=4 373 B10R1.4 NOCC1=CC=CC=C1Br SY281558 [1,1,0,0,0,0|1,0,0]=3 374 B10R1.4 NOCC1=CC=CC=C1Br SY281559 [1,1,0,0,0,0|1,0,0]=3 375 B10R1.4 NOCC1=CC=CC=C1Cl SY281561 [1,1,0,0,0,0|1,0,0]=3 376 B10R1.4 NOCC1=CC=CC=C1F SY047853 [1,1,0,0,0,0|1,0,0]=3 377 B10R1.4 NOCC1=CC=CC=C1F SY281571 [1,1,0,0,0,0|1,0,0]=3 378 B10R1.4 NOCC1=CC=CC=C1I SY281752 [1,1,0,0,0,0|1,0,0]=3 379 B10R1.4 NOCC1=NC=CC=C1F SY281659 [1,1,0,0,0,0|2,0,0]=4 380 B10R1.4 NOCC1=NC=CC=C1F SY281660 [1,1,0,0,0,0|2,0,0]=4 381 B10R1.4 OCCC1=C(Br)C=CC=C1 SY011299 [1,1,0,0,0,0|1,0,0]=3 382 B10R1.4 OCCC1=C(Cl)C=CC=C1 SY005018 [1,1,0,0,0,0|1,0,0]=3 383 B10R1.4 OCCC1=CC=CC=C1F SY021828 [1,1,0,0,0,0|1,0,0]=3 384 B10R1.4 OCCC1=CC=CC=C1I SY096684 [1,1,0,0,0,0|1,0,0]=3 385 B10R1.4 OCCC1=CC=CC=C1O SY066615 [1,1,0,0,0,0|1,0,0]=3 386 B10R1.10 C=CCC1=CC(O)=CC=C1 SY029063 [1,1,0,0,0,0|0,0,2]=4 387 B10R1.10 CC1=CC(CC#N)=CC=C1 SY046497 [1,1,0,0,0,0|0,0,2]=4 388 B10R1.10 CC1=CC(CCO)=CC=C1 SY051329 [1,1,0,0,0,0|1,0,0]=3 389 B10R1.10 CC1=CC(CON)=CC=C1 SY281673 [1,1,0,0,0,0|1,0,0]=3 390 B10R1.10 CC1=CC(CON)=CC=C1 SY281674 [1,1,0,0,0,0|1,0,0]=3 391 B10R1.10 CC1=CC=CC(CCO)=N1 SY162922 [1,1,0,0,0,0|2,0,0]=4 392 B10R1.10 CC1=CC=CC(CON)=N1 SY281644 [1,1,0,0,0,0|2,0,0]=4 393 B10R1.10 CC1=CC=CC(CON)=N1 SY281645 [1,1,0,0,0,0|2,0,0]=4 394 B10R1.10 CC1=NC(CCBr)=CC=C1 SY224318 [1,1,0,0,0,0|2,0,0]=4 395 B10R1.10 CCNC1=CC=CC(Br)=C1 SY040310 [1,1,0,0,0,0|1,0,0]=3 396 B10R1.10 CCOC1=CC(Br)=CC=C1 SY049073 [1,1,0,0,0,0|1,0,0]=3 397 B10R1.10 CCOC1=CC(Cl)=NC=C1 SY032380 [1,1,0,0,0,0|2,0,0]=4 398 B10R1.10 CCOC1=CC=NC(N)=C1 SY006018 [1,1,0,0,0,0|2,0,0]=4 399 B10R1.10 CCOC1=CN=CC(N)=C1 SY032850 [1,1,0,0,0,0|2,0,0]=4 400 B10R1.10 CCOC1=NC=CC(N)=C1 SY013227 [1,1,0,0,0,0|2,0,0]=4 401 B10R1.10 CNCC1=CC(Br)=NC=C1 SY292039 [1,1,0,0,0,0|2,0,0]=4 402 B10R1.10 CNCC1=CC=CC(Br)=C1 SY002048 [1,1,0,0,0,0|1,0,0]=3 403 B10R1.10 CNCC1=CC=CC(Br)=C1 SY002435 [1,1,0,0,0,0|1,0,0]=3 404 B10R1.10 CNCC1=CC=CC(Cl)=C1 SY104087 [1,1,0,0,0,0|1,0,0]=3 405 B10R1.10 CNCC1=CC=CC(F)=C1 SY002641 [1,1,0,0,0,0|1,0,0]=3 406 B10R1.10 CNCC1=CC=CC(O)=C1 SY018671 [1,1,0,0,0,0|1,0,0]=3 407 B10R1.10 COCC1=CC=CC(N)=C1 SY003772 [1,1,0,0,0,0|1,0,0]=3 408 B10R1.10 COCC1=CN=CC(Br)=C1 SY250264 [1,1,0,0,0,0|2,0,0]=4 409 B10R1.10 CSCC1=CC(N)=NC=C1 SY073684 [1,1,0,0,0,0|2,0,0]=4 410 B10R1.10 ClC1=CC=CC(CCBr)=C1 SY004844 [1,1,0,0,0,0|1,0,0]=3 411 B10R1.10 ClCOC1=CC(Br)=CC=C1 SY293036 [1,1,0,0,0,0|2,0,0]=4 412 B10R1.10 ClCOC1=CC(Cl)=CC=C1 SY298324 [1,1,0,0,0,0|2,0,0]=4 413 B10R1.10 FC1=CC(CCBr)=CC=C1 SY035660 [1,1,0,0,0,0|1,0,0]=3 414 B10R1.10 FC1=CC=CC(OCCl)=C1 SY298336 [1,1,0,0,0,0|2,0,0]=4 415 B10R1.10 NC1=CC(CCO)=CC=C1 SY076026 [1,1,0,0,0,0|1,0,0]=3 416 B10R1.10 NC1=CC=NC(CCO)=C1 SY026069 [1,1,0,0,0,0|2,0,0]=4 417 B10R1.10 NCCC1=CC=CC(Cl)=C1 SY011429 [1,1,0,0,0,0|0,0,0]=2 418 B10R1.10 NCCC1=CC=CC(O)=C1 SY005806 [1,1,0,0,0,0|0,0,0]=2 419 B10R1.10 NNCC1=CC=CC(Br)=C1 SY048079 [1,1,0,0,0,0|1,0,0]=3 420 B10R1.10 NNCC1=CC=CC(Cl)=C1 SY040680 [1,1,0,0,0,0|1,0,0]=3 421 B10R1.10 NNCC1=CC=CC(F)=C1 SY048077 [1,1,0,0,0,0|1,0,0]=3 422 B10R1.10 NOCC1=CC(Br)=CN=C1 SY281624 [1,1,0,0,0,0|2,0,0]=4 423 B10R1.10 NOCC1=CC(Br)=CN=C1 SY281625 [1,1,0,0,0,0|2,0,0]=4 424 B10R1.10 NOCC1=CC=CC(Br)=C1 SY281696 [1,1,0,0,0,0|1,0,0]=3 425 B10R1.10 NOCC1=CC=CC(Br)=C1 SY281697 [1,1,0,0,0,0|1,0,0]=3 426 B10R1.10 NOCC1=CC=CC(F)=C1 SY281567 [1,1,0,0,0,0|1,0,0]=3 427 B10R1.10 NOCC1=CC=CC(I)=C1 SY281770 [1,1,0,0,0,0|1,0,0]=3 428 B10R1.10 NOCC1=CC=CC(I)=C1 SY281771 [1,1,0,0,0,0|1,0,0]=3 429 B10R1.10 O=CCC1=CC=CC(Br)=C1 SY239726 [1,1,0,0,0,0|1,0,1]=4 430 B10R1.10 OCCC1=CC(Br)=CC=C1 SY006105 [1,1,0,0,0,0|1,0,0]=3 431 B10R1.10 OCCC1=CC(Cl)=CC=C1 SY005019 [1,1,0,0,0,0|1,0,0]=3 432 B10R1.10 OCCC1=CC(F)=CC=C1 SY015136 [1,1,0,0,0,0|1,0,0]=3 433 B10R1.10 OCCC1=CC=CC(Br)=N1 SY037350 [1,1,0,0,0,0|2,0,0]=4 434 B10R1.10 OCCC1=CC=CC(O)=C1 SY011808 [1,1,0,0,0,0|1,0,0]=3 435 B10R1.10 OCCC1=NC=CC(Br)=C1 SY037353 [1,1,0,0,0,0|2,0,0]=4 436 B10R1.15 C#CC(O)C1=CC=CC=C1 SY008627 [1,1,0,0,0,0|0,0,2]=4 437 B10R1.15 C#C[C@@H](O)C1=CC=CC=C1 SY008626 [1,1,0,0,0,0|0,0,2]=4 438 B10R1.15 C#C[C@H](O)C1=CC=CC=C1 SY008625 [1,1,0,0,0,0|0,0,2]=4 439 B10R1.15 CC(C=O)C1=CC=CC=C1 SY049214 [1,1,0,0,0,0|1,0,1]=4 440 B10R1.15 CCC(=O)C1=CC=CC=N1 SY005362 [1,1,0,0,0,0|1,0,1]=4 441 B10R1.15 CCC(N)C1=CC=CN=C1 SY014378 [1,1,0,0,0,0|1,0,0]=3 442 B10R1.15 CCC(N)C1=CC=CN=C1 SY023048 [1,1,0,0,0,0|1,0,0]=3 443 B10R1.15 CCC(N)C1=CC=NC=C1 SY011556 [1,1,0,0,0,0|1,0,0]=3 444 B10R1.15 CCC(N)C1=NC=CC=C1 SY014377 [1,1,0,0,0,0|1,0,0]=3 445 B10R1.15 CCC(O)C1=CC=CC=C1 SY020321 [1,1,0,0,0,0|0,0,0]=2 446 B10R1.15 CCN(C)C1=CC=CC=C1 SY032004 [1,1,0,0,0,0|1,0,0]=3 447 B10R1.15 CNC(=O)C1=CC=CC=C1 SY037937 [1,1,0,0,0,0|1,0,1]=4 448 B10R1.15 COS(=O)C1=CC=CC=C1 SY050665 [1,1,0,0,0,0|2,0,0]=4 449 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 SY017826 [1,1,0,0,0,0|0,0,0]=2 450 B10R1.15 C[C@H](C=O)C1=CC=CC=C1 SY036236 [1,1,0,0,0,0|1,0,1]=4 451 B10R1.15 C[C@H](CO)C1=CC=CC=C1 SY036226 [1,1,0,0,0,0|1,0,0]=3 452 B10R1.15 NC(CF)C1=CC=CC=C1 SY045869 [1,1,0,0,0,0|1,0,0]=3 453 B10R1.15 NC(CO)C1=CC=CC=C1 SY002083 [1,1,0,0,0,0|1,0,0]=3 454 B10R1.15 NC(CO)C1=CC=CC=N1 SY007452 [1,1,0,0,0,0|2,0,0]=4 455 B10R1.15 NC(CO)C1=CC=NC=C1 SY007453 [1,1,0,0,0,0|2,0,0]=4 456 B10R1.15 NCC(=O)C1=CC=CC=C1 SY007242 [1,1,0,0,0,0|0,0,1]=3 457 B10R1.15 NCC(O)C1=CC=CC=C1 SY042533 [1,1,0,0,0,0|0,0,0]=2 458 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 SY013940 [1,1,0,0,0,0|0,0,0]=2 459 B10R1.15 NC[C@H](O)C1=CC=CC=C1 SY009089 [1,1,0,0,0,0|0,0,0]=2 460 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 SY045870 [1,1,0,0,0,0|1,0,0]=3 461 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 SY003526 [1,1,0,0,0,0|1,0,0]=3 462 B10R1.15 N[C@H](CF)C1=CC=CC=C1 SY045868 [1,1,0,0,0,0|1,0,0]=3 463 B10R1.15 N[C@H](CO)C1=CC=CC=C1 SY001952 [1,1,0,0,0,0|1,0,0]=3 464 B10R1.15 O=C(CO)C1=CC=CC=C1 SY014756 [1,1,0,0,0,0|1,0,1]=4 465 B10R1.15 O=CC(Br)C1=CC=CC=C1 SY277929 [1,1,0,0,0,0|1,0,1]=4 466 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 SY017542 [1,1,0,0,0,0|1,0,0]=3 467 B10R1.15 OC[C@H](O)C1=CC=CC=C1 SY017543 [1,1,0,0,0,0|1,0,0]=3 468 B10R1.15 O[C@@H](CCl)C1=CC=CC=C1 SY101214 [1,1,0,0,0,0|1,0,0]=3 469 B10R1.17 BrCCCC1=CC=CC=C1 SY046253 [1,1,0,0,0,0|0,0,0]=2 470 B10R1.17 C#CCNC1=CC=CC=C1 SY299987 [1,1,0,0,0,0|0,0,2]=4 471 B10R1.17 C#CCOC1=CC=CC=C1 SY048247 [1,1,0,0,0,0|0,0,2]=4 472 B10R1.17 C1=CC=CC=C1CCC#N SY246292 [1,1,0,0,0,0|0,0,1]=3 473 B10R1.17 C=COCC1=CC=CC=C1 SY097145 [1,1,0,0,0,0|0,0,2]=4 474 B10R1.17 CCC#CC1=CC=CC=C1 SY049474 [1,1,0,0,0,0|0,0,1]=3 475 B10R1.17 CCCC[N+]1=CC=CC=C1 SY023279 [1,1,0,0,0,0|1,0,0]=3 476 B10R1.17 CCCC[N+]1=CC=CC=C1 SY033834 [1,1,0,0,0,0|1,0,0]=3 477 B10R1.17 CCNCC1=CC=CN=C1 SY005910 [1,1,0,0,0,0|1,0,0]=3 478 B10R1.17 CCNCC1=CC=NC=C1 SY009304 [1,1,0,0,0,0|1,0,0]=3 479 B10R1.17 CCNCC1=NC=CC=C1 SY005911 [1,1,0,0,0,0|1,0,0]=3 480 B10R1.17 CNCCC1=CC=CC=C1 SY002512 [1,1,0,0,0,0|0,0,0]=2 481 B10R1.17 ClCCCC1=CC=CC=C1 SY048978 [1,1,0,0,0,0|0,0,0]=2 482 B10R1.17 ClCCOC1=CC=CC=C1 SY033599 [1,1,0,0,0,0|1,0,0]=3 483 B10R1.17 ClCOCC1=CC=CC=C1 SY003069 [1,1,0,0,0,0|1,0,0]=3 484 B10R1.17 ICCCC1=CC=CC=C1 SY249461 [1,1,0,0,0,0|0,0,0]=2 485 B10R1.17 ICCCC1=CC=CN=C1 SY250698 [1,1,0,0,0,0|1,0,0]=3 486 B10R1.17 N#CCOC1=CC=CC=C1 SY005439 [1,1,0,0,0,0|0,0,2]=4 487 B10R1.17 NCCCC1=CC=CC=C1 SY049659 [1,1,0,0,0,0|0,0,0]=2 488 B10R1.17 NCCCC1=CC=CN=C1 SY022422 [1,1,0,0,0,0|1,0,0]=3 489 B10R1.17 NCCCC1=CC=NC=C1 SY022421 [1,1,0,0,0,0|1,0,0]=3 490 B10R1.17 NCCCC1=NC=CC=C1 SY022423 [1,1,0,0,0,0|1,0,0]=3 491 B10R1.17 NCCNC1=CC=CC=C1 SY009366 [1,1,0,0,0,0|0,0,0]=2 492 B10R1.17 NCCOC1=CC=CC=C1 SY004523 [1,1,0,0,0,0|0,0,0]=2 493 B10R1.17 NCCOC1=CC=CN=C1 SY027634 [1,1,0,0,0,0|1,0,0]=3 494 B10R1.17 NCCOC1=NC=CC=C1 SY020759 [1,1,0,0,0,0|1,0,0]=3 495 B10R1.17 NC\C=C\C1=CC=CC=C1 SY123671 [1,1,0,0,0,0|0,0,1]=3 496 B10R1.17 NNCCC1=CC=CC=C1 SY048081 [1,1,0,0,0,0|0,0,0]=2 497 B10R1.17 NOCCC1=CC=CC=C1 SY114401 [1,1,0,0,0,0|0,0,0]=2 498 B10R1.17 NOCCC1=CC=CC=C1 SY281546 [1,1,0,0,0,0|0,0,0]=2 499 B10R1.17 OCC#CC1=CC=CC=C1 SY010793 [1,1,0,0,0,0|0,0,2]=4 500 B10R1.17 OCCCC1=CC=CC=C1 SY003672 [1,1,0,0,0,0|0,0,0]=2 501 B10R1.17 OCCCC1=CC=CN=C1 SY129435 [1,1,0,0,0,0|1,0,0]=3 502 B10R1.17 OCCCC1=CC=NC=C1 SY003677 [1,1,0,0,0,0|1,0,0]=3 503 B10R1.17 OCCCC1=NC=CC=C1 SY023125 [1,1,0,0,0,0|1,0,0]=3 504 B10R1.17 OC\C=C/C1=CC=CC=C1 SY129813 [1,1,0,0,0,0|0,0,2]=4 505 B10R1.13 C1=CC(Cl)=CC=C1N(C)C SY246299 [0,1,0,0,1,0|2,0,0]=4 506 B10R1.13 C1=CC(F)=CC=C1N(C)C SY246298 [0,1,0,0,1,0|2,0,0]=4 507 B10R1.13 C=C(C)C1=CC=C(Br)C=C1 SY225322 [0,1,0,0,1,0|1,0,1]=4 508 B10R1.13 C=C(C)C1=CC=C(Cl)C=C1 SY048599 [0,1,0,0,1,0|1,0,1]=4 509 B10R1.13 C=C(C)C1=CC=C(F)C=C1 SY048549 [0,1,0,0,1,0|1,0,1]=4 510 B10R1.13 C=C(C)C1=CC=C(I)C=C1 SY225345 [0,1,0,0,1,0|1,0,1]=4 511 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 SY001458 [0,1,0,0,1,0|1,0,1]=4 512 B10R1.13 CC(=O)C1=CC=C(I)C=C1 SY011859 [0,1,0,0,1,0|1,0,1]=4 513 B10R1.13 CC(=O)C1=CC=C(N)C=C1 SY011145 [0,1,0,0,1,0|1,0,1]=4 514 B10R1.13 CC(=O)C1=CC=C(O)C=C1 SY009665 [0,1,0,0,1,0|1,0,1]=4 515 B10R1.13 CC(C)C1=CC=C(Br)C=C1 SY002711 [0,1,0,0,1,0|1,0,0]=3 516 B10R1.13 CC(Cl)C1=CC=C(F)C=C1 SY029740 [0,1,0,0,1,0|1,0,0]=3 517 B10R1.13 CC(N)C1=CC=C(Br)C=C1 SY020147 [0,1,0,0,1,0|0,0,0]=2 518 B10R1.13 CC(N)C1=CC=C(F)C=C1 SY002633 [0,1,0,0,1,0|0,0,0]=2 519 B10R1.13 CC(N)C1=CC=C(F)N=C1 SY249602 [0,1,0,0,1,0|1,0,0]=3 520 B10R1.13 CC(N)C1=NC=C(Br)C=C1 SY046404 [0,1,0,0,1,0|1,0,0]=3 521 B10R1.13 CC(O)C1=CC=C(Br)C=C1 SY005047 [0,1,0,0,1,0|1,0,0]=3 522 B10R1.13 CC(O)C1=CC=C(Cl)C=C1 SY005059 [0,1,0,0,1,0|1,0,0]=3 523 B10R1.13 CC(O)C1=CC=C(F)C=C1 SY005049 [0,1,0,0,1,0|1,0,0]=3 524 B10R1.13 CC1=CC=C(C(C)N)C=C1 SY002631 [0,1,0,0,1,0|0,0,0]=2 525 B10R1.13 CC1=CC=C(C(C)O)C=C1 SY005050 [0,1,0,0,1,0|1,0,0]=3 526 B10R1.13 CC1=CC=C(C(F)F)C=C1 SY265627 [0,1,0,0,1,0|2,0,0]=4 527 B10R1.13 CC1=CC=C(S(N)=O)C=C1 SY261118 [0,1,0,0,1,0|2,0,0]=4 528 B10R1.13 CC1=CC=C([S@@](N)=O)C=C1 SY114833 [0,1,0,0,1,0|2,0,0]=4 529 B10R1.13 CN(C)C1=CC=C(Br)C=C1 SY013736 [0,1,0,0,1,0|2,0,0]=4 530 B10R1.13 CN(C)C1=CC=C(Cl)C=C1 SY027100 [0,1,0,0,1,0|2,0,0]=4 531 B10R1.13 CS(=O)C1=CC=C(Br)C=C1 SY253160 [0,1,0,0,1,0|2,0,0]=4 532 B10R1.13 C[C@@H](N)C1=CC=C(Br)C=C1 SY009358 [0,1,0,0,1,0|0,0,0]=2 533 B10R1.13 C[C@@H](N)C1=CC=C(Br)C=C1 SY031357 [0,1,0,0,1,0|0,0,0]=2 534 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 SY007454 [0,1,0,0,1,0|0,0,0]=2 535 B10R1.13 C[C@@H](O)C1=CC=C(Br)C=C1 SY024772 [0,1,0,0,1,0|1,0,0]=3 536 B10R1.13 C[C@@H](O)C1=CC=C(Cl)C=C1 SY116631 [0,1,0,0,1,0|1,0,0]=3 537 B10R1.13 C[C@@H](O)C1=CC=C(F)C=C1 SY009324 [0,1,0,0,1,0|1,0,0]=3 538 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 SY009349 [0,1,0,0,1,0|0,0,0]=2 539 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 SY007451 [0,1,0,0,1,0|0,0,0]=2 540 B10R1.13 C[C@H](O)C1=CC=C(Br)C=C1 SY024771 [0,1,0,0,1,0|1,0,0]=3 541 B10R1.13 C[C@H](O)C1=CC=C(F)C=C1 SY009323 [0,1,0,0,1,0|1,0,0]=3 542 B10R1.13 Cc1ccc(C(C)C)cc1 SY010591 [0,1,0,0,1,0|1,0,0]=3 543 B10R1.13 Cc1ccc(C(C)C)cc1 SY010592 [0,1,0,0,1,0|1,0,0]=3 544 B10R1.13 FC(F)C1=CC=C(Br)C=C1 SY041190 [0,1,0,0,1,0|2,0,0]=4 545 B10R1.13 FC1=CC=C(C(Cl)Cl)C=C1 SY036853 [0,1,0,0,1,0|2,0,0]=4 546 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 SY014927 [0,1,0,0,1,0|1,0,1]=4 547 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 SY014928 [0,1,0,0,1,0|1,0,1]=4 548 B10R1.13 N=C(N)C1=CC=C(F)C=C1 SY032215 [0,1,0,0,1,0|1,0,1]=4 549 B10R1.13 N=C(N)C1=CC=C(N)C=C1 SY017964 [0,1,0,0,1,0|1,0,1]=4 550 B10R1.13 N=C(N)C1=CC=C(O)C=C1 SY018812 [0,1,0,0,1,0|1,0,1]=4 551 B10R1.13 NC(=O)C1=CC=C(Br)C=C1 SY020099 [0,1,0,0,1,0|1,0,1]=4 552 B10R1.13 NC(=O)C1=CC=C(Cl)C=C1 SY048513 [0,1,0,0,1,0|1,0,1]=4 553 B10R1.13 NC(=O)C1=CC=C(F)C=C1 SY013152 [0,1,0,0,1,0|1,0,1]=4 554 B10R1.13 NC(=O)C1=CC=C(N)C=C1 SY004554 [0,1,0,0,1,0|1,0,1]=4 555 B10R1.13 NC(=S)C1=CC=C(O)C=C1 SY030992 [0,1,0,0,1,0|1,0,1]=4 556 B10R1.13 NC1=CC=C(C(F)F)C=C1 SY265648 [0,1,0,0,1,0|2,0,0]=4 557 B10R1.28 C1=CC=C(S(C)(=O)=O)C=C1 SY246294 [0,1,0,0,1,0|2,0,0]=4 558 B10R1.28 CC(C)(C)C1=CC=NC=C1 SY010877 [0,1,0,0,1,0|2,0,0]=4 559 B10R1.28 CC(C)(N)C1=CC=CC=C1 SY025865 [0,1,0,0,1,0|0,0,0]=2 560 B10R1.28 CC(C)(N)C1=CC=CC=N1 SY010718 [0,1,0,0,1,0|1,0,0]=3 561 B10R1.28 CC(C)(N)C1=CC=CC=N1 SY012360 [0,1,0,0,1,0|1,0,0]=3 562 B10R1.28 CC(C)(N)C1=CC=CN=C1 SY022602 [0,1,0,0,1,0|1,0,0]=3 563 B10R1.28 CC(C)(N)C1=CC=NC=C1 SY011554 [0,1,0,0,1,0|1,0,0]=3 564 B10R1.28 CC(C)(O)C1=CC=CC=C1 SY021550 [0,1,0,0,1,0|1,0,0]=3 565 B10R1.28 CC(C)(O)C1=CC=CN=C1 SY240215 [0,1,0,0,1,0|2,0,0]=4 566 B10R1.28 CC(C)(O)C1=CC=NC=C1 SY006264 [0,1,0,0,1,0|2,0,0]=4 567 B10R1.28 CC(C)(O)C1=NC=CC=C1 SY064823 [0,1,0,0,1,0|2,0,0]=4 568 B10R1.28 CS(=O)(=O)C1=CC=CC=C1 SY018221 [0,1,0,0,1,0|2,0,0]=4 569 B10R1.61 C=C(C)C1=CC=CC=C1F SY154483 [0,1,0,0,1,0|1,0,1]=4 570 B10R1.61 CC(=O)C1=C(I)C=CC=C1 SY010667 [0,1,0,0,1,0|1,0,1]=4 571 B10R1.61 CC(=O)C1=CC=CC=C1Br SY002108 [0,1,0,0,1,0|1,0,1]=4 572 B10R1.61 CC(=O)C1=CC=CC=C1C SY002283 [0,1,0,0,1,0|1,0,1]=4 573 B10R1.61 CC(=O)C1=CC=CC=C1N SY001368 [0,1,0,0,1,0|1,0,1]=4 574 B10R1.61 CC(C)C1=C(N)C=CC=C1 SY006015 [0,1,0,0,1,0|1,0,0]=3 575 B10R1.61 CC(C)C1=CC=CC=C1Br SY026917 [0,1,0,0,1,0|1,0,0]=3 576 B10R1.61 CC(C)C1=CC=CC=C1I SY048195 [0,1,0,0,1,0|1,0,0]=3 577 B10R1.61 CC(N)C1=CC=CC=C1Cl SY002632 [0,1,0,0,1,0|0,0,0]=2 578 B10R1.61 CC(N)C1=CC=CC=C1F SY002510 [0,1,0,0,1,0|0,0,0]=2 579 B10R1.61 CC(N)C1=CC=CC=C1F SY096571 [0,1,0,0,1,0|0,0,0]=2 580 B10R1.61 CC(N)C1=CC=CC=C1O SY026082 [0,1,0,0,1,0|0,0,0]=2 581 B10R1.61 CC(N)C1=CC=CN=C1F SY249601 [0,1,0,0,1,0|1,0,0]=3 582 B10R1.61 CC(O)C1=C(Br)C=CC=C1 SY005052 [0,1,0,0,1,0|1,0,0]=3 583 B10R1.61 CC(O)C1=C(Cl)C=CC=C1 SY005057 [0,1,0,0,1,0|1,0,0]=3 584 B10R1.61 CC(O)C1=C(F)C=CC=C1 SY005055 [0,1,0,0,1,0|1,0,0]=3 585 B10R1.61 CC(O)C1=C(N)C=CC=C1 SY005046 [0,1,0,0,1,0|1,0,0]=3 586 B10R1.61 CC1=C(C(=N)N)C=CC=C1 SY003976 [0,1,0,0,1,0|1,0,1]=4 587 B10R1.61 CC1=C(C(C)N)C=CC=C1 SY006058 [0,1,0,0,1,0|0,0,0]=2 588 B10R1.61 CC1=C(C(C)O)C=CC=C1 SY005056 [0,1,0,0,1,0|1,0,0]=3 589 B10R1.61 CC1=CC=CC=C1C(C)N SY002511 [0,1,0,0,1,0|0,0,0]=2 590 B10R1.61 CC1=CC=CC=C1C(F)F SY265643 [0,1,0,0,1,0|2,0,0]=4 591 B10R1.61 CC1=NC=CC=C1C(C)N SY249588 [0,1,0,0,1,0|1,0,0]=3 592 B10R1.61 CN(C)C1=CC=CC=C1Br SY024924 [0,1,0,0,1,0|2,0,0]=4 593 B10R1.61 CN(C)C1=CC=CC=C1N SY032003 [0,1,0,0,1,0|2,0,0]=4 594 B10R1.61 C[C@@H](O)C1=CC=CC=C1Br SY024770 [0,1,0,0,1,0|1,0,0]=3 595 B10R1.61 C[C@@H](O)C1=CC=CC=C1Cl SY024788 [0,1,0,0,1,0|1,0,0]=3 596 B10R1.61 C[C@@H](O)C1=CC=CC=C1F SY040023 [0,1,0,0,1,0|1,0,0]=3 597 B10R1.61 C[C@H](N)C1=CC=CC=C1F SY008657 [0,1,0,0,1,0|0,0,0]=2 598 B10R1.61 C[C@H](N)C1=CC=CC=C1F SY224243 [0,1,0,0,1,0|0,0,0]=2 599 B10R1.61 C[C@H](O)C1=CC=CC=C1Cl SY024787 [0,1,0,0,1,0|1,0,0]=3 600 B10R1.61 C[C@H](O)C1=NC=CC=C1Br SY289336 [0,1,0,0,1,0|2,0,0]=4 601 B10R1.61 FC(F)C1=CC=CC=C1Br SY035109 [0,1,0,0,1,0|2,0,0]=4 602 B10R1.61 FC(F)C1=CC=CC=C1Cl SY265649 [0,1,0,0,1,0|2,0,0]=4 603 B10R1.61 FC(F)C1=CC=CC=C1I SY265917 [0,1,0,0,1,0|2,0,0]=4 604 B10R1.61 N=C(N)C1=CC=CC=C1Br SY028769 [0,1,0,0,1,0|1,0,1]=4 605 B10R1.61 N=C(N)C1=CC=CC=C1Cl SY003975 [0,1,0,0,1,0|1,0,1]=4 606 B10R1.61 N=C(N)C1=CC=CC=C1F SY109705 [0,1,0,0,1,0|1,0,1]=4 607 B10R1.61 NC(=O)C1=C(I)C=CC=C1 SY013782 [0,1,0,0,1,0|1,0,1]=4 608 B10R1.61 NC(=O)C1=CC=CC=C1Br SY026521 [0,1,0,0,1,0|1,0,1]=4 609 B10R1.61 NC(=O)C1=CC=CC=C1F SY023168 [0,1,0,0,1,0|1,0,1]=4 610 B10R1.61 NC(=O)C1=CC=CC=C1N SY001144 [0,1,0,0,1,0|1,0,1]=4 611 B10R1.61 NC1=CC=CC=C1C(F)F SY265647 [0,1,0,0,1,0|2,0,0]=4 612 B10R1.113 C=C(C)C1=CC(C)=CC=C1 SY225337 [0,1,0,0,1,0|1,0,1]=4 613 B10R1.113 C=C(C)C1=CC=CC(Br)=C1 SY225323 [0,1,0,0,1,0|1,0,1]=4 614 B10R1.113 C=C(C)C1=CC=CC(Cl)=C1 SY225324 [0,1,0,0,1,0|1,0,1]=4 615 B10R1.113 CC(=O)C1=CC=CC(Br)=C1 SY001472 [0,1,0,0,1,0|1,0,1]=4 616 B10R1.113 CC(=O)C1=CC=CC(F)=C1 SY007259 [0,1,0,0,1,0|1,0,1]=4 617 B10R1.113 CC(=O)C1=CC=CC(I)=C1 SY109511 [0,1,0,0,1,0|1,0,1]=4 618 B10R1.113 CC(=O)C1=CC=CC(N)=C1 SY001475 [0,1,0,0,1,0|1,0,1]=4 619 B10R1.113 CC(=O)C1=CC=CC(O)=C1 SY004849 [0,1,0,0,1,0|1,0,1]=4 620 B10R1.113 CC(C)C1=CC(Br)=NC=C1 SY224430 [0,1,0,0,1,0|2,0,0]=4 621 B10R1.113 CC(C)C1=CC=CC(Br)=N1 SY006302 [0,1,0,0,1,0|2,0,0]=4 622 B10R1.113 CC(C)C1=CC=CC(N)=C1 SY005822 [0,1,0,0,1,0|1,0,0]=3 623 B10R1.113 CC(C)C1=CC=CC(N)=N1 SY006009 [0,1,0,0,1,0|2,0,0]=4 624 B10R1.113 CC(N)C1=CC(Br)=NC=C1 SY248318 [0,1,0,0,1,0|1,0,0]=3 625 B10R1.113 CC(N)C1=CC=CC(Br)=C1 SY023019 [0,1,0,0,1,0|0,0,0]=2 626 B10R1.113 CC(N)C1=CC=CC(Br)=C1 SY037546 [0,1,0,0,1,0|0,0,0]=2 627 B10R1.113 CC(N)C1=CC=CC(Cl)=C1 SY027082 [0,1,0,0,1,0|0,0,0]=2 628 B10R1.113 CC(O)C1=CC=CC(Br)=C1 SY005048 [0,1,0,0,1,0|1,0,0]=3 629 B10R1.113 CC(O)C1=CC=CC(Cl)=C1 SY005051 [0,1,0,0,1,0|1,0,0]=3 630 B10R1.113 CC(O)C1=CC=CC(O)=C1 SY005071 [0,1,0,0,1,0|1,0,0]=3 631 B10R1.113 CC(O)C1=NC=CC(Br)=C1 SY037352 [0,1,0,0,1,0|2,0,0]=4 632 B10R1.113 CC1=CC(C(F)F)=CC=C1 SY265638 [0,1,0,0,1,0|2,0,0]=4 633 B10R1.113 CN(C)C1=CC(O)=CC=C1 SY003817 [0,1,0,0,1,0|2,0,0]=4 634 B10R1.113 CN(C)C1=CC=CC(Br)=C1 SY101188 [0,1,0,0,1,0|2,0,0]=4 635 B10R1.113 CN(C)C1=CC=CC(I)=C1 SY290789 [0,1,0,0,1,0|2,0,0]=4 636 B10R1.113 CN(C)C1=CC=CC(N)=C1 SY010751 [0,1,0,0,1,0|2,0,0]=4 637 B10R1.113 CN(C)C1=CC=CC(N)=C1 SY044787 [0,1,0,0,1,0|2,0,0]=4 638 B10R1.113 C[C@@H](N)C1=CC(F)=CC=C1 SY008725 [0,1,0,0,1,0|0,0,0]=2 639 B10R1.113 C[C@@H](N)C1=CC=CC(Br)=C1 SY110609 [0,1,0,0,1,0|0,0,0]=2 640 B10R1.113 C[C@@H](N)C1=CC=CC(Cl)=C1 SY239977 [0,1,0,0,1,0|0,0,0]=2 641 B10R1.113 C[C@@H](O)C1=CC=CC(Br)=C1 SY107032 [0,1,0,0,1,0|1,0,0]=3 642 B10R1.113 C[C@H](N)C1=CC=CC(Br)=C1 SY029286 [0,1,0,0,1,0|0,0,0]=2 643 B10R1.113 C[C@H](N)C1=CC=CC(Br)=C1 SY029288 [0,1,0,0,1,0|0,0,0]=2 644 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=C1 SY258403 [0,1,0,0,1,0|0,0,0]=2 645 B10R1.113 FC(F)C1=CC=CC(Br)=C1 SY103994 [0,1,0,0,1,0|2,0,0]=4 646 B10R1.113 FC(F)C1=CC=CC(Cl)=C1 SY265663 [0,1,0,0,1,0|2,0,0]=4 647 B10R1.113 FC(F)C1=CC=CC(I)=C1 SY124950 [0,1,0,0,1,0|2,0,0]=4 648 B10R1.113 N=C(N)C1=CC=CC(Br)=C1 SY028768 [0,1,0,0,1,0|1,0,1]=4 649 B10R1.113 N=C(N)C1=CC=CC(Br)=C1 SY285003 [0,1,0,0,1,0|1,0,1]=4 650 B10R1.113 N=C(N)C1=CC=CC(Cl)=C1 SY106891 [0,1,0,0,1,0|1,0,1]=4 651 B10R1.113 NC(=O)C1=CC(F)=CC=C1 SY016219 [0,1,0,0,1,0|1,0,1]=4 652 B10R1.113 NC(=O)C1=CC(O)=CC=C1 SY004825 [0,1,0,0,1,0|1,0,1]=4 653 B10R1.113 NC(=O)C1=CC=CC(Br)=C1 SY020170 [0,1,0,0,1,0|1,0,1]=4 654 B10R1.113 NC(=O)C1=CC=CC(Cl)=C1 SY030316 [0,1,0,0,1,0|1,0,1]=4 655 B10R1.113 NC(=O)C1=CC=CC(I)=C1 SY041741 [0,1,0,0,1,0|1,0,1]=4 656 B10R1.113 NC(=O)C1=CC=CC(N)=C1 SY012693 [0,1,0,0,1,0|1,0,1]=4 657 B10R1.113 NC(=S)C1=CC=CC(Cl)=C1 SY003195 [0,1,0,0,1,0|1,0,1]=4 658 B12R1.21 CC(=O)CCC1=CC=C(C)C=C1 SY022010 [0,1,0,0,0,1|1,0,1]=4 659 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 SY004032 [0,1,0,0,0,1|1,0,1]=4 660 B12R1.21 CC(C)NCC1=CC=C(N)C=C1 SY003700 [0,1,0,0,0,1|1,0,0]=3 661 B12R1.21 FC(F)COC1=CC=C(Br)C=C1 SY270874 [0,1,0,0,0,1|2,0,0]=4 662 B12R1.21 N=C(N)NCC1=CC=C(N)C=C1 SY238059 [0,1,0,0,0,1|1,0,1]=4 663 B12R1.27 CC(CO)OCC1=CC=CC=C1 SY030243 [0,1,0,0,0,1|1,0,0]=3 664 B12R1.27 COC(=O)CCC1=CC=CC=C1 SY017877 [0,1,0,0,0,1|1,0,1]=4 665 B12R1.27 COC(=O)COC1=CC=CC=C1 SY037886 [0,1,0,0,0,1|1,0,1]=4 666 B12R1.27 C[C@H](CO)NCC1=CC=CC=C1 SY123602 [0,1,0,0,0,1|1,0,0]=3 667 B12R1.27 NCC(=O)OCC1=CC=CC=C1 SY021003 [0,1,0,0,0,1|1,0,1]=4 668 B12R1.27 NCC(=O)OCC1=CC=CC=C1 SY038933 [0,1,0,0,0,1|1,0,1]=4 669 B12R1.27 NNC(=O)OCC1=CC=CC=C1 SY017007 [0,1,0,0,0,1|1,0,1]=4 670 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 SY002918 [0,1,0,0,0,1|1,0,1]=4 671 B12R1.27 O=C(CO)OCC1=CC=CC=C1 SY115712 [0,1,0,0,0,1|1,0,1]=4 672 B12R1.27 O=C(NO)OCC1=CC=CC=C1 SY024162 [0,1,0,0,0,1|1,0,1]=4 673 B12R1.43 CC(N)C(=O)CC1=CC=CC=C1 SY147169 [0,1,0,0,0,1|0,0,0]=2 674 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 SY009482 [0,1,0,0,0,1|1,0,1]=4 675 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 SY036427 [0,1,0,0,0,1|1,0,1]=4 676 B12R1.43 NC(=O)[C@H](N)CC1=CC=CC=C1 SY034084 [0,1,0,0,0,1|1,0,1]=4 677 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 SY011141 [0,1,0,0,0,1|1,0,1]=4 678 B12R1.107 CC(=O)NC(C)C1=CC=CC=C1 SY007036 [0,1,0,0,0,1|1,0,1]=4 679 B12R1.107 CC(C)CC(N)C1=CC=CN=C1 SY014559 [0,1,0,0,0,1|2,0,0]=4 680 B12R1.107 CC(C)CC(N)C1=CC=NC=C1 SY014558 [0,1,0,0,0,1|2,0,0]=4 681 B12R1.107 CC(C)CC(N)C1=NC=CC=C1 SY014557 [0,1,0,0,0,1|2,0,0]=4 682 B12R1.107 CC(CC(N)=O)C1=CC=CC=C1 SY249488 [0,1,0,0,0,1|1,0,1]=4 683 B12R1.125 N=C(N)COC1=CC=CC=C1Cl SY003969 [0,1,0,0,0,1|1,0,1]=4 684 B12R1.226 N=C(N)NCC1=CC=CC(F)=C1 SY294082 [0,1,0,0,0,1|1,0,1]=4 685 B12R1.226 NC(=O)CCC1=CC=CC(Br)=C1 SY032519 [0,1,0,0,0,1|1,0,1]=4 686 B12R1.4 CN(C)CC1=CC=C(CN)C=C1 SY152150 [0,2,0,0,0,0|2,0,0]=4 687 B12R1.4 COC1=CC=C(CC(C)=O)C=C1 SY001528 [0,2,0,0,0,0|1,0,1]=4 688 B12R1.4 N#CC1=CC=C(CC(N)=O)C=C1 SY147070 [0,2,0,0,0,0|1,0,1]=4 689 B12R1.4 N#CC1=CC=C(CC(N)=S)C=C1 SY292154 [0,2,0,0,0,0|1,0,1]=4 690 B12R1.4 NCC1=CC=C(CC(N)=O)C=C1 SY166682 [0,2,0,0,0,0|1,0,1]=4 691 B12R1.20 CC(C(N)=O)C1=CC=C(Br)C=C1 SY233699 [0,2,0,0,0,0|1,0,1]=4 692 B12R1.20 CC1=CC=C(C(=O)C(C)Br)C=C1 SY040622 [0,2,0,0,0,0|1,0,1]=4 693 B12R1.49 COC(=O)CC1=CC=C(Br)C=C1 SY021204 [0,2,0,0,0,0|1,0,1]=4 694 B12R1.49 COC(=O)CC1=CC=C(C)C=C1 SY052935 [0,2,0,0,0,0|1,0,1]=4 695 B12R1.49 COC(=O)CC1=CC=C(Cl)C=C1 SY051360 [0,2,0,0,0,0|1,0,1]=4 696 B12R1.49 COC(=O)CC1=CC=C(F)C=C1 SY041951 [0,2,0,0,0,0|1,0,1]=4 697 B12R1.49 COC(=O)CC1=CC=C(I)C=C1 SY041745 [0,2,0,0,0,0|1,0,1]=4 698 B12R1.49 COC(=O)CC1=CC=C(N)C=C1 SY100571 [0,2,0,0,0,0|1,0,1]=4 699 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 SY001844 [0,2,0,0,0,0|1,0,1]=4 700 B12R1.49 NC(CO)CC1=CC=C(Cl)C=C1 SY022058 [0,2,0,0,0,0|0,0,0]=2 701 B12R1.49 NC(CO)CC1=CC=C(Cl)C=C1 SY107318 [0,2,0,0,0,0|0,0,0]=2 702 B12R1.49 N[C@@H](CO)CC1=CC=C(Cl)C=C1 SY285307 [0,2,0,0,0,0|0,0,0]=2 703 B12R1.49 N[C@H](CO)CC1=CC=C(Cl)C=C1 SY285313 [0,2,0,0,0,0|0,0,0]=2 704 B12R1.106 CC(C)(C)OC1=CC=C(Br)C=C1 SY151943 [0,2,0,0,0,0|2,0,0]=4 705 B12R1.106 CC(C)(C)OC1=CC=C(F)C=C1 SY298703 [0,2,0,0,0,0|2,0,0]=4 706 B12R1.106 CC(C)(C)OC1=CC=C(I)C=C1 SY298829 [0,2,0,0,0,0|2,0,0]=4 707 B12R1.106 CS(=O)(=O)CC1=CC=C(N)C=C1 SY083862 [0,2,0,0,0,0|2,0,0]=4 708 B12R1.34 CC(C(=O)NN)C1=CC=CC=C1 SY263061 [0,2,0,0,0,0|1,0,1]=4 709 B12R1.34 CCC(C)C(N)C1=CC=CC=C1 SY040748 [0,2,0,0,0,0|1,0,0]=3 710 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 SY113594 [0,2,0,0,0,0|1,0,1]=4 711 B12R1.34 COC(=O)[C@@H](O)C1=CC=CC=C1 SY003754 [0,2,0,0,0,0|1,0,1]=4 712 B12R1.34 COC(=O)[C@H](N)C1=CC=CC=C1 SY020988 [0,2,0,0,0,0|1,0,1]=4 713 B12R1.34 COC(=O)[C@H](O)C1=CC=CC=C1 SY003762 [0,2,0,0,0,0|1,0,1]=4 714 B12R1.34 NNC(=O)[C@H](O)C1=CC=CC=C1 SY017161 [0,2,0,0,0,0|1,0,1]=4 715 B12R1.34 OCC(Br)C(Br)C1=CC=CC=C1 SY037173 [0,2,0,0,0,0|1,0,0]=3 716 B12R1.124 CC(Br)C(=O)C1=C(Cl)C=CC=C1 SY031882 [0,2,0,0,0,0|1,0,1]=4 717 B12R1.225 CC(Br)C(=O)C1=CC=CC(Cl)=C1 SY104235 [0,2,0,0,0,0|1,0,1]=4 718 B12R1.225 CC(C1=CC(O)=CC=C1)N(C)C SY102287 [0,2,0,0,0,0|2,0,0]=4 719 B12R1.225 CC(N)C(=O)C1=CC=CC(Cl)=C1 SY227003 [0,2,0,0,0,0|0,0,1]=3 720 B12R1.225 C[C@@H](C1=CC(O)=CC=C1)N(C)C SY067144 [0,2,0,0,0,0|2,0,0]=4 721 B12R1.253 CC(C)S(=O)(=O)C1=CC=CC=C1 SY293232 [0,2,0,0,0,0|2,0,0]=4 722 B12R1.253 NC(=O)C(F)(F)C1=CC=CC=C1 SY131631 [0,2,0,0,0,0|1,0,1]=4 723 B12R1.564 CC(C)(C)C(N)C1=CC=CN=C1 SY265076 [0,2,0,0,0,0|2,0,0]=4 724 B12R1.564 CC(C)(C)C(N)C1=CC=NC=C1 SY265074 [0,2,0,0,0,0|2,0,0]=4 725 B12R1.564 CC(C)(C)C(N)C1=NC=CC=C1 SY265078 [0,2,0,0,0,0|2,0,0]=4 726 B12R1.564 NC(C1=CC=CC=C1)C(F)(F)F SY005422 [0,2,0,0,0,0|2,0,0]=4 727 B12R1.564 NC(C1=CC=CC=C1)C(F)(F)F SY007239 [0,2,0,0,0,0|2,0,0]=4 728 B12R1.32 C#CCN(C)CC1=CC=CC=C1 SY005867 [0,2,0,0,0,0|2,0,0]=4 729 B12R1.32 CN(CCCl)CC1=CC=CC=C1 SY011648 [0,2,0,0,0,0|2,0,0]=4 730 B12R1.32 CN(CCO)CC1=CC=CC=C1 SY025492 [0,2,0,0,0,0|2,0,0]=4 731 B12R1.50 COC(=O)CC1=CC(Br)=CC=C1 SY004524 [0,2,0,0,0,0|1,0,1]=4 732 B12R1.50 COC(=O)CC1=CC=CC(Cl)=C1 SY053038 [0,2,0,0,0,0|1,0,1]=4 733 B12R1.50 COC(=O)CC1=CC=CC(F)=C1 SY051263 [0,2,0,0,0,0|1,0,1]=4 734 B12R1.50 COC(=O)CC1=CC=CC(N)=C1 SY005119 [0,2,0,0,0,0|1,0,1]=4 735 B12R1.50 COC(=O)CC1=CC=CC(O)=C1 SY023952 [0,2,0,0,0,0|1,0,1]=4 736 B12R1.118 CN[C@H](CO)CC1=CC=CC=C1 SY033679 [0,2,0,0,0,0|0,0,0]=2 737 B12R1.118 N#CC(CO)CC1=CC=CC=C1 SY023620 [0,2,0,0,0,0|0,0,1]=3 738 B12R1.118 NCC(CO)CC1=CC=CC=C1 SY002578 [0,2,0,0,0,0|0,0,0]=2 739 B12R1.371 COC(=O)CC1=C(O)C=CC=C1 SY032006 [0,2,0,0,0,0|1,0,1]=4 740 B12R1.371 COC(=O)CC1=CC=CC=C1Br SY023296 [0,2,0,0,0,0|1,0,1]=4 741 B12R1.371 COC(=O)CC1=CC=CC=C1C SY106492 [0,2,0,0,0,0|1,0,1]=4 742 B12R1.371 COC(=O)CC1=CC=CC=C1Cl SY021282 [0,2,0,0,0,0|1,0,1]=4 743 B12R1.371 COC(=O)CC1=CC=CC=C1F SY258978 [0,2,0,0,0,0|1,0,1]=4 744 B12R1.371 COC(=O)CC1=CC=CC=C1I SY311934 [0,2,0,0,0,0|1,0,1]=4 745 B12R1.127 CC(C)NC1=C(Br)C=CC(N)=C1 SY271821 [0,2,0,0,0,0|2,0,0]=4 746 B12R1.127 CC(C)NC1=CC(Br)=CC=C1N SY216525 [0,2,0,0,0,0|2,0,0]=4 747 B12R1.151 CC(C)(C)OC1=CC=CC=C1Br SY244485 [0,2,0,0,0,0|2,0,0]=4 748 B12R1.151 CC(C)(C)OC1=CC=CC=C1I SY298865 [0,2,0,0,0,0|2,0,0]=4 749 B12R1.151 CC(C)(O)CC1=CC=CC=C1Cl SY035186 [0,2,0,0,0,0|1,0,0]=3 750 B12R1.151 CC1=C(OC(C)(C)C)C=CC=C1 SY298710 [0,2,0,0,0,0|2,0,0]=4 751 B12R1.101 CC(C)OC1=CC(Br)=CC(Br)=C1 SY104410 [0,2,0,0,0,0|2,0,0]=4 752 B12R1.119 CC(C)(C)OC1=CC(Br)=CC=C1 SY298927 [0,2,0,0,0,0|2,0,0]=4 753 B12R1.119 CC(C)(C)OC1=CC=CC(Cl)=C1 SY298704 [0,2,0,0,0,0|2,0,0]=4 754 B12R1.119 CC(C)(C)OC1=CC=CC(F)=C1 SY298707 [0,2,0,0,0,0|2,0,0]=4 755 B12R1.119 CC1=CC(OC(C)(C)C)=CC=C1 SY040395 [0,2,0,0,0,0|2,0,0]=4 756 B12R1.438 CC(=O)CC1=CC(C#N)=CC=C1 SY026405 [0,2,0,0,0,0|1,0,1]=4 757 B10R2.6 C1=CC(C2CC2)=CC=N1 SY275036 [1,0,0,1,0,0|1,0,0]=3 758 B10R2.6 C1=CC=C([C@@H]2CO2)C=C1 SY033347 [1,0,0,1,0,0|1,0,0]=3 759 B10R2.6 C1=CC=C([C@H]2CO2)C=C1 SY032955 [1,0,0,1,0,0|1,0,0]=3 760 B10R2.7 C1=CC2=C(C=C1)CNC2 SY006502 [1,0,0,1,0,0|1,0,0]=3 761 B10R2.7 C1=CC2=C(C=C1)NCC2 SY012760 [1,0,0,1,0,0|0,0,0]=2 762 B10R2.7 C1=CC2=C(C=C1)NN=C2 SY001125 [1,0,0,1,0,0|1,0,1]=4 763 B10R2.7 C1=CC2=C(C=C1)OCC2 SY003884 [1,0,0,1,0,0|1,0,0]=3 764 B10R2.7 C1=CC2=C(C=N1)CNC2 SY016749 [1,0,0,1,0,0|2,0,0]=4 765 B10R2.7 C1=CC2=C(N=C1)NCC2 SY005307 [1,0,0,1,0,0|1,0,0]=3 766 B10R2.7 C1=CC=C2CNCC2=C1 SY006104 [1,0,0,1,0,0|1,0,0]=3 767 B10R2.7 C1=CC=C2CSCC2=C1 SY143431 [1,0,0,1,0,0|1,0,0]=3 768 B10R2.7 C1=CC=C2NC=NC2=C1 SY012765 [1,0,0,1,0,0|1,0,1]=4 769 B10R2.7 C1=CN=C2CCCC2=C1 SY005163 [1,0,0,1,0,0|1,0,0]=3 770 B10R2.7 C1=CN=C2CCNC2=C1 SY253170 [1,0,0,1,0,0|1,0,0]=3 771 B10R2.7 C1=CN=C2CCOC2=C1 SY285018 [1,0,0,1,0,0|2,0,0]=4 772 B10R2.7 C1=CN=C2CNCC2=C1 SY002978 [1,0,0,1,0,0|2,0,0]=4 773 B10R2.7 C1=CN=C2CNCC2=C1 SY005549 [1,0,0,1,0,0|2,0,0]=4 774 B10R2.7 C1=NC=C2CNCC2=C1 SY006966 [1,0,0,1,0,0|2,0,0]=4 775 B10R2.7 C1=NN=C2NCCC2=C1 SY294612 [1,0,0,1,0,0|2,0,0]=4 776 B10R2.320 O=C1CC2=CC=CC=C12 SY031738 [1,0,0,1,0,0|1,0,1]=4 777 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 SY029843 [0,0,0,1,0,1|1,0,1]=4 778 B12R2.24 BrC1CCC2=C(C=CC=C2)C1 SY297477 [0,0,0,1,0,1|1,0,0]=3 779 B12R2.24 CC1CCC2=C(C=CC=C2)N1 SY045570 [0,0,0,1,0,1|0,0,0]=2 780 B12R2.24 NC1CCC2=C(C=CC=C2)C1 SY031850 [0,0,0,1,0,1|0,0,0]=2 781 B12R2.24 N[C@@H]1CCC2=C(C=CC=C2)C1 SY118721 [0,0,0,1,0,1|0,0,0]=2 782 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 SY021954 [0,0,0,1,0,1|0,0,0]=2 783 B12R2.24 O=C1CC2=C(C=CC=C2)CO1 SY036247 [0,0,0,1,0,1|1,0,1]=4 784 B12R2.24 O=C1CNC2=C(C=CC=C2)C1 SY292612 [0,0,0,1,0,1|1,0,1]=4 785 B12R2.24 O=C1CNC2=C(C=CC=C2)N1 SY018411 [0,0,0,1,0,1|1,0,1]=4 786 B12R2.24 O=C1COC2=C(C=CC=C2)N1 SY007578 [0,0,0,1,0,1|1,0,1]=4 787 B12R2.24 O=C1CSC2=C(C=CC=C2)C1 SY033162 [0,0,0,1,0,1|1,0,1]=4 788 B12R2.24 O=C1NC2=CC=CC=C2CO1 SY129148 [0,0,0,1,0,1|1,0,1]=4 789 B12R2.24 OC1CC2=C(C=CC=C2)CO1 SY293993 [0,0,0,1,0,1|1,0,0]=3 790 B12R2.24 OC1CCC2=C(C=CC=C2)C1 SY056861 [0,0,0,1,0,1|1,0,0]=3 791 B12R2.92 ClC1(Cl)CC1C2=CC=CC=C2 SY002735 [0,0,0,1,0,1|2,0,0]=4 792 B12R2.92 FC1(F)CC1C2=CC=CC=C2 SY295850 [0,0,0,1,0,1|2,0,0]=4 793 B12R2.2057 C1=CC(CNC2CC2)=CC=N1 SY028834 [0,0,0,1,0,1|2,0,0]=4 794 B12R2.2057 C1=CC=C(CNC2CC2)C=C1 SY023290 [0,0,0,1,0,1|1,0,0]=3 795 B12R2.2057 C1=CC=C(OCC2CO2)C=C1 SY246293 [0,0,0,1,0,1|1,0,0]=3 796 B12R2.2057 C1=CN=CC(CNC2CC2)=C1 SY028835 [0,0,0,1,0,1|2,0,0]=4 797 B12R2.2403 CC1(C)C=CC2=C1C=CC=C2 SY297315 [0,0,0,1,0,1|1,0,1]=4 798 B12R2.2403 CC1(C)OCC2=C1C=CC=C2 SY275437 [0,0,0,1,0,1|1,0,0]=3 799 B12R2.2403 CC1(C)SCC2=CC=CC=C21 SY275438 [0,0,0,1,0,1|1,0,0]=3 800 B12R2.2403 CC1(O)COC2=CC=CC=C21 SY308287 [0,0,0,1,0,1|1,0,0]=3 801 B12R2.79 NC1CC1C2=CC=C(Br)C=C2 SY047274 [0,1,0,1,0,0|0,0,0]=2 802 B12R2.79 NC1CC1C2=CC=C(F)C=C2 SY044993 [0,1,0,1,0,0|0,0,0]=2 803 B12R2.79 N[C@@H]1C[C@H]1C2=CC=C(F)C=C2 SY045000 [0,1,0,1,0,0|0,0,0]=2 804 B12R2.79 N[C@H]1C[C@@H]1C2=CC=C(F)C=C2 SY045001 [0,1,0,1,0,0|0,0,0]=2 805 B12R2.606 CC1=CC2=C(C=C(Br)C=C2)N1 SY043096 [0,1,0,1,0,0|0,0,2]=4 806 B12R2.606 CC1=CC2=C(C=C(F)C=C2)N1 SY064418 [0,1,0,1,0,0|0,0,2]=4 807 B12R2.606 CC1=CC2=C(C=C1)CC(=O)N2 SY020777 [0,1,0,1,0,0|1,0,1]=4 808 B12R2.606 CC1=CC2=C(C=CC(Cl)=C2)N1 SY036807 [0,1,0,1,0,0|0,0,2]=4 809 B12R2.606 CC1=CC2=CC(Br)=CC=C2N1 SY019005 [0,1,0,1,0,0|0,0,2]=4 810 B12R2.606 CC1=NC2=CC(Br)=CC=C2N1 SY033061 [0,1,0,1,0,0|1,0,1]=4 811 B12R2.606 CC1=NC2=CC=C(N)C=C2N1 SY029620 [0,1,0,1,0,0|1,0,1]=4 812 B12R2.606 CC1CC2=C(C=CC(F)=C2)N1 SY034702 [0,1,0,1,0,0|0,0,0]=2 813 B12R2.606 CN1CC2=C(C=C(Br)C=C2)C1 SY265434 [0,1,0,1,0,0|2,0,0]=4 814 B12R2.606 CN1CC2=C(C=C(N)C=C2)C1 SY174530 [0,1,0,1,0,0|2,0,0]=4 815 B12R2.606 NC1=CC2=C(C=C1)CC(=O)N2 SY030708 [0,1,0,1,0,0|1,0,1]=4 816 B12R2.606 NC1=CC2=C(C=C1)NC(=O)C2 SY031781 [0,1,0,1,0,0|1,0,1]=4 817 B12R2.606 NC1CC2=C(C=C(Br)C=C2)C1 SY014687 [0,1,0,1,0,0|0,0,0]=2 818 B12R2.606 NC1CC2=C(C=C(I)C=C2)C1 SY041371 [0,1,0,1,0,0|0,0,0]=2 819 B12R2.606 NC1CC2=C(C=C(O)C=C2)C1 SY290730 [0,1,0,1,0,0|0,0,0]=2 820 B12R2.606 O=C1CC2=C(C=C(Br)C=C2)C1 SY040582 [0,1,0,1,0,0|1,0,1]=4 821 B12R2.606 O=C1CC2=C(C=C(Cl)C=C2)N1 SY002545 [0,1,0,1,0,0|1,0,1]=4 822 B12R2.606 O=C1CC2=C(C=C(F)C=C2)N1 SY028412 [0,1,0,1,0,0|1,0,1]=4 823 B12R2.606 O=C1CC2=C(C=C(O)C=C2)N1 SY023129 [0,1,0,1,0,0|1,0,1]=4 824 B12R2.606 O=C1CC2=C(C=CC(Br)=C2)N1 SY008441 [0,1,0,1,0,0|1,0,1]=4 825 B12R2.606 O=C1CC2=C(C=CC(F)=C2)N1 SY002547 [0,1,0,1,0,0|1,0,1]=4 826 B12R2.606 O=C1CC2=C(C=CC(I)=C2)N1 SY004828 [0,1,0,1,0,0|1,0,1]=4 827 B12R2.606 O=C1CC2=CC=C(Br)C=C2N1 SY004439 [0,1,0,1,0,0|1,0,1]=4 828 B12R2.606 OC1CC2=C(C=C(Br)C=C2)C1 SY101935 [0,1,0,1,0,0|1,0,0]=3 829 B12R2.18 CC1=CC2=C(C=CC=C2)N1C SY004658 [0,1,0,1,0,0|0,0,2]=4 830 B12R2.18 CC1CC2=C(C=CC=C2)C1=O SY081370 [0,1,0,1,0,0|1,0,0]=3 831 B12R2.18 CN1C(=O)CC2=C1C=CC=C2 SY042826 [0,1,0,1,0,0|1,0,1]=4 832 B12R2.18 NC1C2=CC=CC=C2CC1O SY003676 [0,1,0,1,0,0|1,0,0]=3 833 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@@H]1O SY007785 [0,1,0,1,0,0|1,0,0]=3 834 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@H]1O SY007747 [0,1,0,1,0,0|1,0,0]=3 835 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@@H]1O SY007896 [0,1,0,1,0,0|1,0,0]=3 836 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@H]1O SY009651 [0,1,0,1,0,0|1,0,0]=3 837 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@H]1O SY279293 [0,1,0,1,0,0|1,0,0]=3 838 B12R2.18 O[C@@H]1C2=C(C=CC=C2)C[C@H]1Br SY015553 [0,1,0,1,0,0|1,0,0]=3 839 B12R2.2075 NC(C1=CC=CC=C1)C2CC2 SY030000 [0,1,0,1,0,0|1,0,0]=3 840 B12R2.2075 NC(C1=CC=CC=C1)C2CC2 SY042927 [0,1,0,1,0,0|1,0,0]=3 841 B12R2.2075 NC(C1=CC=CC=N1)C2CC2 SY263126 [0,1,0,1,0,0|2,0,0]=4 842 B12R2.2075 NC(C1=CC=NC=C1)C2CC2 SY014561 [0,1,0,1,0,0|2,0,0]=4 843 B12R2.2075 NC(C1=CN=CC=C1)C2CC2 SY014562 [0,1,0,1,0,0|2,0,0]=4 844 B12R2.2075 NC(C1=NC=CC=C1)C2CC2 SY014560 [0,1,0,1,0,0|2,0,0]=4 845 B12R2.2075 O=C(C1=CC=CC=C1)C2CC2 SY049565 [0,1,0,1,0,0|1,0,1]=4 846 B12R2.2075 OC(C1=CC=CN=C1)C2CC2 SY017195 [0,1,0,1,0,0|2,0,0]=4 847 B12R2.2075 OC(C1=CC=NC=C1)C2CC2 SY038709 [0,1,0,1,0,0|2,0,0]=4 848 B12R2.27 CNC1CC1C2=CC=CC=C2 SY262087 [0,1,0,1,0,0|0,0,0]=2 849 B12R2.32 BrCC1=CC2=C(C=CC=C2)N1 SY268421 [0,1,0,1,0,0|0,0,2]=4 850 B12R2.32 CCC1=NC2=CC=CC=C2N1 SY015992 [0,1,0,1,0,0|1,0,1]=4 851 B12R2.32 NCC1=CC2=C(C=CC=C2)N1 SY026631 [0,1,0,1,0,0|0,0,2]=4 852 B12R2.32 NCC1=NC2=CC=CC=C2N1 SY018489 [0,1,0,1,0,0|1,0,1]=4 853 B12R2.32 NCC1=NC2=CC=CC=C2N1 SY025325 [0,1,0,1,0,0|1,0,1]=4 854 B12R2.32 NCC1=NC2=CC=CC=C2N1 SY030589 [0,1,0,1,0,0|1,0,1]=4 855 B12R2.32 NCC1OC2=CC=CC=C2O1 SY026998 [0,1,0,1,0,0|2,0,0]=4 856 B12R2.32 OCC1=CC2=C(C=CC=C2)N1 SY045599 [0,1,0,1,0,0|0,0,2]=4 857 B12R2.32 OCC1=NC2=CC=CC=C2N1 SY003368 [0,1,0,1,0,0|1,0,1]=4 858 B12R2.32 OCC1CC2=CC=CC=C2O1 SY045474 [0,1,0,1,0,0|1,0,0]=3 859 B12R2.32 OC[C@@H]1CC2=C(C=CC=C2)N1 SY038508 [0,1,0,1,0,0|0,0,0]=2 860 B12R2.95 CC1(C)OC2=CC=CC=C2O1 SY043089 [0,1,0,1,0,0|2,0,0]=4 861 B12R2.202 CC1=CC2=C(C1)C(Br)=CC=C2 SY035152 [0,1,0,1,0,0|1,0,1]=4 862 B12R2.202 CC1=CC2=C(C=CC=C2Br)N1 SY029702 [0,1,0,1,0,0|0,0,2]=4 863 B12R2.202 CC1=CC=CC2=C1CC(=O)N2 SY009386 [0,1,0,1,0,0|1,0,1]=4 864 B12R2.202 CC1=CC=CC2=C1NC(=O)C2 SY084752 [0,1,0,1,0,0|1,0,1]=4 865 B12R2.202 CC1=NC2=C(Br)C=CC=C2N1 SY024818 [0,1,0,1,0,0|1,0,1]=4 866 B12R2.202 NC1=CC=CC2=C1NC(=O)C2 SY248415 [0,1,0,1,0,0|1,0,1]=4 867 B12R2.202 O=C1CC2=C(C1)C(Br)=CC=C2 SY022357 [0,1,0,1,0,0|1,0,1]=4 868 B12R2.202 O=C1CC2=C(C=CC=C2Br)N1 SY003107 [0,1,0,1,0,0|1,0,1]=4 869 B12R2.202 O=C1CC2=C(C=CC=C2Cl)N1 SY009372 [0,1,0,1,0,0|1,0,1]=4 870 B12R2.202 O=C1CC2=C(C=CC=C2F)N1 SY105094 [0,1,0,1,0,0|1,0,1]=4 871 B12R2.202 O=C1CC2=C(C=CC=C2I)N1 SY224083 [0,1,0,1,0,0|1,0,1]=4 872 B12R2.202 O=C1CC2=C(C=CC=C2O)N1 SY036030 [0,1,0,1,0,0|1,0,1]=4 873 B12R2.202 O=C1CC2=C(N1)C(Br)=CC=C2 SY029304 [0,1,0,1,0,0|1,0,1]=4 874 B12R2.202 O=C1CC2=C(N1)C(F)=CC=C2 SY029301 [0,1,0,1,0,0|1,0,1]=4 875 B12R2.202 OC1CC2=CC=CC(Br)=C2C1 SY022355 [0,1,0,1,0,0|1,0,0]=3 876 B12R2.225 BrC1=CC=CC=C1CC2CC2 SY278417 [0,1,0,1,0,0|1,0,0]=3 877 B12R2.225 NC1=CC=CC=C1OC2CC2 SY277587 [0,1,0,1,0,0|2,0,0]=4 878 B12R2.80 N[C@@H]1C[C@H]1C2=CC=CC(Cl)=C2 SY122639 [0,1,0,1,0,0|0,0,0]=2 879 B12R3.12 C1=CC2=C(C=C1)C3OC3C2 SY272668 [0,0,0,2,0,0|1,0,0]=3 880 B8R1.8 CCCC1=NC=CN1 SY021502 [1,0,0,0,1,0|2,0,0]=4 881 B8R1.8 CCCC1=NNC=C1 SY147130 [1,0,0,0,1,0|2,0,0]=4 882 B8R1.8 CCCN1C=CC=N1 SY023536 [1,0,0,0,1,0|2,0,0]=4 883 B8R1.8 CCCN1C=CN=C1 SY029323 [1,0,0,0,1,0|2,0,0]=4 884 B8R1.8 CNCC1=CC=CS1 SY002432 [1,0,0,0,1,0|2,0,0]=4 885 B8R1.8 CNCC1=CC=CS1 SY002436 [1,0,0,0,1,0|2,0,0]=4 886 B8R1.8 CNCC1=COC=C1 SY014265 [1,0,0,0,1,0|2,0,0]=4 887 B8R1.8 NCCC1=CC=CN1 SY010719 [1,0,0,0,1,0|1,0,0]=3 888 B8R1.8 NCCC1=CC=CN1 SY011737 [1,0,0,0,1,0|1,0,0]=3 889 B8R1.8 NCCC1=CC=CO1 SY021981 [1,0,0,0,1,0|1,0,0]=3 890 B8R1.8 NCCC1=CC=CS1 SY004316 [1,0,0,0,1,0|1,0,0]=3 891 B8R1.8 NCCC1=CNC=N1 SY012860 [1,0,0,0,1,0|2,0,0]=4 892 B8R1.8 NCCC1=CNC=N1 SY041787 [1,0,0,0,1,0|2,0,0]=4 893 B8R1.8 NCCC1=CNN=C1 SY039272 [1,0,0,0,1,0|2,0,0]=4 894 B8R1.8 NCCC1=CSC=C1 SY034366 [1,0,0,0,1,0|1,0,0]=3 895 B8R1.8 NCCC1=NC=CN1 SY010697 [1,0,0,0,1,0|2,0,0]=4 896 B8R1.8 NCCC1=NC=CN1 SY059809 [1,0,0,0,1,0|2,0,0]=4 897 B8R1.8 NCCC1=NNC=C1 SY021017 [1,0,0,0,1,0|2,0,0]=4 898 B8R1.8 NCCC1=NNC=C1 SY040011 [1,0,0,0,1,0|2,0,0]=4 899 B8R1.8 NCCN1C=CC=N1 SY014106 [1,0,0,0,1,0|2,0,0]=4 900 B8R1.8 NCCN1C=CN=C1 SY014254 [1,0,0,0,1,0|2,0,0]=4 901 B8R1.8 NCCN1C=CN=C1 SY079565 [1,0,0,0,1,0|2,0,0]=4 902 B8R1.8 NCCN1C=CN=C1 SY110715 [1,0,0,0,1,0|2,0,0]=4 903 B8R1.8 NOCC1=CSC=C1 SY281788 [1,0,0,0,1,0|2,0,0]=4 904 B8R1.8 NOCC1=CSC=C1 SY281789 [1,0,0,0,1,0|2,0,0]=4 905 B8R1.8 OCCC1=CSC=C1 SY003714 [1,0,0,0,1,0|2,0,0]=4 906 B8R1.7 CC(C)N1C=CC=C1 SY300558 [0,0,0,0,2,0|2,0,0]=4 907 B8R1.7 CC(N)C1=NC=CS1 SY006409 [0,0,0,0,2,0|2,0,0]=4 908 B8R1.7 CC(N)C1=NC=CS1 SY020075 [0,0,0,0,2,0|2,0,0]=4 909 B8R1.7 C[C@@H](N)C1=CC=CS1 SY193850 [0,0,0,0,2,0|1,0,0]=3 910 B8R1.7 C[C@@H](N)C1=CNC=N1 SY307692 [0,0,0,0,2,0|2,0,0]=4 911 B8R1.7 C[C@H](N)C1=CNC=N1 SY307691 [0,0,0,0,2,0|2,0,0]=4 912 B12R1.252 CC(=O)COCC1=CC=CC=C1 SY107427 [0,0,0,0,0,2|1,0,1]=4 913 B12R1.252 CC(O)COCC1=CC=CC=C1 SY115719 [0,0,0,0,0,2|1,0,0]=3 914 B12R1.252 C[C@@H](O)CNCC1=CC=CC=C1 SY046157 [0,0,0,0,0,2|1,0,0]=3 915 B12R1.252 C[C@@H](O)COCC1=CC=CC=C1 SY226247 [0,0,0,0,0,2|1,0,0]=3 916 B12R1.252 C[C@H](O)COCC1=CC=CC=C1 SY059957 [0,0,0,0,0,2|1,0,0]=3