0 B12R1.34 CC(C(=O)NN)C1=CC=CC=C1 SY263061 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.34 CCC(C)C(N)C1=CC=CC=C1 SY040748 [0,0,0,0,0,0|2,0,0]=2 2 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 SY113594 [0,0,0,0,0,0|3,0,1]=4 3 B12R1.34 COC(=O)[C@@H](O)C1=CC=CC=C1 SY003754 [0,0,0,0,0,0|2,0,1]=3 4 B12R1.34 COC(=O)[C@H](N)C1=CC=CC=C1 SY020988 [0,0,0,0,0,0|3,0,1]=4 5 B12R1.34 COC(=O)[C@H](O)C1=CC=CC=C1 SY003762 [0,0,0,0,0,0|2,0,1]=3 6 B12R1.34 CON(C)C(=O)C1=CC=CC=C1 SY052485 [0,0,0,0,0,0|2,0,2]=4 7 B12R1.34 NNC(=O)[C@H](O)C1=CC=CC=C1 SY017161 [0,0,0,0,0,0|2,0,1]=3 8 B12R1.34 OCC(Br)C(Br)C1=CC=CC=C1 SY037173 [0,0,0,0,0,0|4,0,0]=4 9 B11R1.16 CC(CCN)C1=CC=CC=C1 SY035468 [1,0,0,0,0,0|3,0,0]=4 10 B11R1.16 CCCC(N)C1=CC=NC=C1 SY014555 [1,0,0,0,0,0|3,0,0]=4 11 B11R1.16 CCCC(N)C1=CN=CC=C1 SY014556 [1,0,0,0,0,0|3,0,0]=4 12 B11R1.16 CCCC(N)C1=NC=CC=C1 SY014554 [1,0,0,0,0,0|3,0,0]=4 13 B11R1.16 CNNC(=O)C1=CC=CC=C1 SY294316 [1,0,0,0,0,0|1,0,2]=4 14 B11R1.16 COC[C@@H](N)C1=CC=CC=C1 SY025161 [1,0,0,0,0,0|2,0,0]=3 15 B11R1.16 COC[C@H](N)C1=CC=CC=C1 SY039587 [1,0,0,0,0,0|2,0,0]=3 16 B11R1.16 ClCCC(Br)C1=CC=CC=C1 SY027094 [1,0,0,0,0,0|3,0,0]=4 17 B11R1.16 NC(CCO)C1=CC=CC=C1 SY013381 [1,0,0,0,0,0|3,0,0]=4 18 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 SY033781 [1,0,0,0,0,0|3,0,0]=4 19 B11R1.16 N[C@H](CCO)C1=CC=CC=C1 SY002040 [1,0,0,0,0,0|3,0,0]=4 20 B11R1.16 OC(CCCl)C1=CC=CC=C1 SY021671 [1,0,0,0,0,0|2,0,0]=3 21 B11R1.16 OCCC(O)C1=CC=CC=C1 SY271569 [1,0,0,0,0,0|2,0,0]=3 22 B11R1.16 OCC[C@H](O)C1=CC=NC=C1 SY129671 [1,0,0,0,0,0|3,0,0]=4 23 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 SY021625 [1,0,0,0,0,0|2,0,0]=3 24 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 SY021621 [1,0,0,0,0,0|2,0,0]=3 25 B11R1.36 CC(=O)C(O)C1=CC=CC=C1 SY028287 [1,0,0,0,0,0|1,0,1]=3 26 B11R1.36 CC(C)C(=O)C1=CC=CN=C1 SY129311 [1,0,0,0,0,0|1,0,2]=4 27 B11R1.36 CC(C)C(=O)C1=NC=CC=C1 SY004992 [1,0,0,0,0,0|1,0,2]=4 28 B11R1.36 CC(C)C(N)C1=CC=CN=C1 SY014380 [1,0,0,0,0,0|2,0,0]=3 29 B11R1.36 CC(C)C(N)C1=CC=NC=C1 SY014381 [1,0,0,0,0,0|2,0,0]=3 30 B11R1.36 CC(C)C(N)C1=NC=CC=C1 SY014379 [1,0,0,0,0,0|2,0,0]=3 31 B11R1.36 CC(C)C(O)C1=CC=CN=C1 SY129322 [1,0,0,0,0,0|1,0,0]=2 32 B11R1.36 CN(C)C(=O)C1=CC=CC=C1 SY048849 [1,0,0,0,0,0|1,0,2]=4 33 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 SY009237 [1,0,0,0,0,0|2,0,1]=4 34 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 SY001670 [1,0,0,0,0,0|2,0,1]=4 35 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 SY289327 [1,0,0,0,0,0|2,0,1]=4 36 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 SY001645 [1,0,0,0,0,0|2,0,1]=4 37 B11R1.40 CC(C#N)NC1=CC=CC=C1 SY027832 [1,0,0,0,0,0|3,0,0]=4 38 B11R1.40 NC(CF)CC1=CC=CC=C1 SY045874 [1,0,0,0,0,0|3,0,0]=4 39 B11R1.40 NC(CO)CC1=CC=CC=C1 SY030554 [1,0,0,0,0,0|3,0,0]=4 40 B11R1.40 NNC(=O)CC1=CC=CC=C1 SY032275 [1,0,0,0,0,0|2,0,1]=4 41 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 SY013878 [1,0,0,0,0,0|3,0,0]=4 42 B11R1.40 N[C@H](CF)CC1=CC=CC=C1 SY045873 [1,0,0,0,0,0|3,0,0]=4 43 B13R1.47 CCOC(=O)[C@@H](O)C1=CC=CC=C1 SY017476 [0,1,0,0,0,0|2,0,1]=4 44 B13R1.47 CCOC(=O)[C@H](O)C1=CC=CC=C1 SY017475 [0,1,0,0,0,0|2,0,1]=4 45 B13R1.696 COC(=O)[C@@H](O)C1=CC=CC=C1Cl SY056507 [0,1,0,0,0,0|2,0,1]=4 46 B13R1.696 COC(=O)[C@H](O)C1=CC=CC=C1Cl SY061035 [0,1,0,0,0,0|2,0,1]=4 47 B13R2.32 CC1CCC2=C(C=CC=C2)C1=O SY101951 [0,0,0,1,0,0|1,0,2]=4 48 B13R2.32 CC1CCC2=C(C=CC=C2)N1C SY280205 [0,0,0,1,0,0|3,0,0]=4 49 B13R2.3085 CN1C(=O)C(N)C2=C1C=CC=C2 SY059152 [0,0,0,1,0,0|2,0,1]=4 50 B13R2.8137 NC(C1=CC=CC=C1)C2CCC2 SY037547 [0,0,0,1,0,0|2,0,0]=3 51 B13R1.135 COC(=O)C(O)CC1=CC=CC=C1 SY112626 [0,0,0,0,0,1|2,0,1]=4 52 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 SY033782 [0,0,0,0,0,1|2,0,1]=4 53 B13R1.135 COC(=O)[C@H](O)CC1=CC=CC=C1 SY033769 [0,0,0,0,0,1|2,0,1]=4 54 B10R1.15 C#CC(O)C1=CC=CC=C1 SY008627 [2,0,0,0,0,0|0,0,2]=4 55 B10R1.15 C#C[C@@H](O)C1=CC=CC=C1 SY008626 [2,0,0,0,0,0|0,0,2]=4 56 B10R1.15 C#C[C@H](O)C1=CC=CC=C1 SY008625 [2,0,0,0,0,0|0,0,2]=4 57 B10R1.15 CCC(N)C1=CC=CN=C1 SY014378 [2,0,0,0,0,0|2,0,0]=4 58 B10R1.15 CCC(N)C1=CC=CN=C1 SY023048 [2,0,0,0,0,0|2,0,0]=4 59 B10R1.15 CCC(N)C1=CC=NC=C1 SY011556 [2,0,0,0,0,0|2,0,0]=4 60 B10R1.15 CCC(N)C1=NC=CC=C1 SY014377 [2,0,0,0,0,0|2,0,0]=4 61 B10R1.15 CCC(O)C1=CC=CC=C1 SY020321 [2,0,0,0,0,0|0,0,0]=2 62 B10R1.15 CCN(C)C1=CC=CC=C1 SY032004 [2,0,0,0,0,0|2,0,0]=4 63 B10R1.15 CNC(=O)C1=CC=CC=C1 SY037937 [2,0,0,0,0,0|0,0,2]=4 64 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 SY017826 [2,0,0,0,0,0|1,0,0]=3 65 B10R1.15 C[C@H](CO)C1=CC=CC=C1 SY036226 [2,0,0,0,0,0|2,0,0]=4 66 B10R1.15 NC(CF)C1=CC=CC=C1 SY045869 [2,0,0,0,0,0|2,0,0]=4 67 B10R1.15 NC(CO)C1=CC=CC=C1 SY002083 [2,0,0,0,0,0|2,0,0]=4 68 B10R1.15 NCC(=O)C1=CC=CC=C1 SY007242 [2,0,0,0,0,0|0,0,2]=4 69 B10R1.15 NCC(O)C1=CC=CC=C1 SY042533 [2,0,0,0,0,0|0,0,0]=2 70 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 SY013940 [2,0,0,0,0,0|0,0,0]=2 71 B10R1.15 NC[C@H](O)C1=CC=CC=C1 SY009089 [2,0,0,0,0,0|0,0,0]=2 72 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 SY045870 [2,0,0,0,0,0|2,0,0]=4 73 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 SY003526 [2,0,0,0,0,0|2,0,0]=4 74 B10R1.15 N[C@H](CF)C1=CC=CC=C1 SY045868 [2,0,0,0,0,0|2,0,0]=4 75 B10R1.15 N[C@H](CO)C1=CC=CC=C1 SY001952 [2,0,0,0,0,0|2,0,0]=4 76 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 SY017542 [2,0,0,0,0,0|1,0,0]=3 77 B10R1.15 OC[C@H](O)C1=CC=CC=C1 SY017543 [2,0,0,0,0,0|1,0,0]=3 78 B10R1.15 O[C@@H](CCl)C1=CC=CC=C1 SY101214 [2,0,0,0,0,0|1,0,0]=3 79 B10R1.17 BrCCCC1=CC=CC=C1 SY046253 [2,0,0,0,0,0|2,0,0]=4 80 B10R1.17 C1=CC=CC=C1CCC#N SY246292 [2,0,0,0,0,0|2,0,0]=4 81 B10R1.17 CCCC[N+]1=CC=CC=C1 SY023279 [2,0,0,0,0,0|2,0,0]=4 82 B10R1.17 CCCC[N+]1=CC=CC=C1 SY033834 [2,0,0,0,0,0|2,0,0]=4 83 B10R1.17 CNCCC1=CC=CC=C1 SY002512 [2,0,0,0,0,0|0,0,0]=2 84 B10R1.17 ClCCCC1=CC=CC=C1 SY048978 [2,0,0,0,0,0|2,0,0]=4 85 B10R1.17 ICCCC1=CC=CC=C1 SY249461 [2,0,0,0,0,0|2,0,0]=4 86 B10R1.17 NCCCC1=CC=CC=C1 SY049659 [2,0,0,0,0,0|2,0,0]=4 87 B10R1.17 NNCCC1=CC=CC=C1 SY048081 [2,0,0,0,0,0|1,0,0]=3 88 B10R1.17 NOCCC1=CC=CC=C1 SY114401 [2,0,0,0,0,0|2,0,0]=4 89 B10R1.17 NOCCC1=CC=CC=C1 SY281546 [2,0,0,0,0,0|2,0,0]=4 90 B10R1.17 OCCCC1=CC=CC=C1 SY003672 [2,0,0,0,0,0|2,0,0]=4 91 B10R1.18 CC(C)=CC1=CC=CC=C1 SY055240 [2,0,0,0,0,0|0,0,2]=4 92 B10R1.18 CC(C)CC1=CC=NC=C1 SY028398 [2,0,0,0,0,0|1,0,0]=3 93 B10R1.18 CC(O)CC1=CC=CC=C1 SY051093 [2,0,0,0,0,0|1,0,0]=3 94 B10R1.18 FC(F)CC1=CC=CC=C1 SY265774 [2,0,0,0,0,0|2,0,0]=4 95 B10R1.18 NC(=O)CC1=CC=CC=C1 SY017094 [2,0,0,0,0,0|1,0,1]=4 96 B12R1.16 CCC[C@@H](N)C1=CC=C(C)C=C1 SY232219 [1,1,0,0,0,0|2,0,0]=4 97 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 SY008896 [1,1,0,0,0,0|0,0,0]=2 98 B12R1.17 OCCC(O)C1=CC=CC(Cl)=C1 SY265044 [1,1,0,0,0,0|2,0,0]=4 99 B12R1.17 OCC[C@H](O)C1=CC=CC(Cl)=C1 SY254038 [1,1,0,0,0,0|2,0,0]=4 100 B12R1.30 CNCCC(O)C1=CC=CC=C1 SY050893 [1,1,0,0,0,0|0,0,0]=2 101 B12R1.39 C#CCC(C)(O)C1=CC=CC=C1 SY047143 [1,1,0,0,0,0|1,0,1]=4 102 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 SY017555 [1,1,0,0,0,0|2,0,0]=4 103 B12R1.225 CC(C1=CC(O)=CC=C1)N(C)C SY102287 [1,1,0,0,0,0|2,0,0]=4 104 B12R1.225 CC(N)C(=O)C1=CC=CC(Cl)=C1 SY227003 [1,1,0,0,0,0|0,0,2]=4 105 B12R1.225 C[C@@H](C1=CC(O)=CC=C1)N(C)C SY067144 [1,1,0,0,0,0|2,0,0]=4 106 B12R1.253 CC(C)S(=O)(=O)C1=CC=CC=C1 SY293232 [1,1,0,0,0,0|1,0,1]=4 107 B12R1.564 CC(C)(C)C(N)C1=CC=CN=C1 SY265076 [1,1,0,0,0,0|2,0,0]=4 108 B12R1.564 CC(C)(C)C(N)C1=CC=NC=C1 SY265074 [1,1,0,0,0,0|2,0,0]=4 109 B12R1.564 CC(C)(C)C(N)C1=NC=CC=C1 SY265078 [1,1,0,0,0,0|2,0,0]=4 110 B12R1.32 CN(CCCl)CC1=CC=CC=C1 SY011648 [1,1,0,0,0,0|2,0,0]=4 111 B12R1.32 CN(CCO)CC1=CC=CC=C1 SY025492 [1,1,0,0,0,0|2,0,0]=4 112 B12R1.43 CC(CC1=CC=CC=C1)C(=O)O SY185587 [1,1,0,0,0,0|2,0,0]=4 113 B12R1.118 CN[C@H](CO)CC1=CC=CC=C1 SY033679 [1,1,0,0,0,0|0,0,0]=2 114 B12R1.118 N#CC(CO)CC1=CC=CC=C1 SY023620 [1,1,0,0,0,0|2,0,0]=4 115 B12R1.118 NCC(CO)CC1=CC=CC=C1 SY002578 [1,1,0,0,0,0|2,0,0]=4 116 B12R2.2 C1=CC=C(C2CCCN2)C=C1 SY063719 [1,0,0,1,0,0|2,0,0]=4 117 B12R2.2 C1=CC=C(C2CCNC2)C=C1 SY023454 [1,0,0,1,0,0|1,0,0]=3 118 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 SY060796 [1,0,0,1,0,0|2,0,0]=4 119 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 SY023849 [1,0,0,1,0,0|1,0,0]=3 120 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 SY245835 [1,0,0,1,0,0|1,0,0]=3 121 B12R2.27 CNC1CC1C2=CC=CC=C2 SY262087 [1,0,0,1,0,0|1,0,0]=3 122 B12R2.116 CC1(C2=NC=CC=C2)CNC1 SY291104 [1,0,0,1,0,0|2,0,0]=4 123 B12R2.116 NC1(C2=CC=CC=C2)CCC1 SY006040 [1,0,0,1,0,0|2,0,0]=4 124 B12R2.116 NC1(C2=CC=CC=C2)CCC1 SY007956 [1,0,0,1,0,0|2,0,0]=4 125 B12R2.116 OC1(C2=NC=CC=C2)CNC1 SY237894 [1,0,0,1,0,0|1,0,0]=3 126 B12R2.1081 NC1CCCC2=C1C=CC=C2 SY004141 [1,0,0,1,0,0|2,0,0]=4 127 B12R2.1081 N[C@@H]1CCCC2=C1C=CC=C2 SY045443 [1,0,0,1,0,0|2,0,0]=4 128 B12R2.1081 N[C@H]1CCCC2=C1C=CC=C2 SY001972 [1,0,0,1,0,0|2,0,0]=4 129 B12R2.1081 OC1CCCC2=C1N=CC=C2 SY004995 [1,0,0,1,0,0|2,0,0]=4 130 B12R2.1081 OC1CCCC2=C1N=CC=C2 SY006174 [1,0,0,1,0,0|2,0,0]=4 131 B12R2.1081 OC1CCCC2=CC=CC=C21 SY009329 [1,0,0,1,0,0|1,0,0]=3 132 B12R2.1081 OC1CCOC2=C1C=CC=C2 SY027475 [1,0,0,1,0,0|2,0,0]=4 133 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 SY104799 [1,0,0,1,0,0|1,0,0]=3 134 B12R2.2075 NC(C1=CC=CC=C1)C2CC2 SY030000 [1,0,0,1,0,0|2,0,0]=4 135 B12R2.2075 NC(C1=CC=CC=C1)C2CC2 SY042927 [1,0,0,1,0,0|2,0,0]=4 136 B12R2.2075 OC(C1=CC=CN=C1)C2CC2 SY017195 [1,0,0,1,0,0|2,0,0]=4 137 B12R2.2075 OC(C1=CC=NC=C1)C2CC2 SY038709 [1,0,0,1,0,0|2,0,0]=4 138 B12R2.18 CC1CC2=C(C=CC=C2)C1=O SY081370 [1,0,0,1,0,0|0,0,2]=4 139 B12R2.18 NC1C2=CC=CC=C2CC1O SY003676 [1,0,0,1,0,0|2,0,0]=4 140 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@@H]1O SY007785 [1,0,0,1,0,0|2,0,0]=4 141 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@H]1O SY007747 [1,0,0,1,0,0|2,0,0]=4 142 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@@H]1O SY007896 [1,0,0,1,0,0|2,0,0]=4 143 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@H]1O SY009651 [1,0,0,1,0,0|2,0,0]=4 144 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@H]1O SY279293 [1,0,0,1,0,0|2,0,0]=4 145 B12R2.18 O[C@@H]1C2=C(C=CC=C2)C[C@H]1Br SY015553 [1,0,0,1,0,0|1,0,0]=3 146 B12R2.24 BrC1CCC2=C(C=CC=C2)C1 SY297477 [1,0,0,1,0,0|2,0,0]=4 147 B12R2.24 CC1CCC2=C(C=CC=C2)N1 SY045570 [1,0,0,1,0,0|2,0,0]=4 148 B12R2.24 NC1CCC2=C(C=CC=C2)C1 SY031850 [1,0,0,1,0,0|2,0,0]=4 149 B12R2.24 N[C@@H]1CCC2=C(C=CC=C2)C1 SY118721 [1,0,0,1,0,0|2,0,0]=4 150 B12R2.24 OC1CC2=C(C=CC=C2)CO1 SY293993 [1,0,0,1,0,0|2,0,0]=4 151 B12R2.24 OC1CCC2=C(C=CC=C2)C1 SY056861 [1,0,0,1,0,0|2,0,0]=4 152 B14R2.260 C[C@H]1OC(C2=CC=CC=C2)O[C@@H]1C SY261829 [0,0,0,1,0,1|1,0,0]=3 153 B14R2.598 C[C@@H]1NC(=O)O[C@@H]1C2=CC=CC=C2 SY012059 [0,1,0,1,0,0|0,0,1]=3 154 B14R2.598 C[C@H]1NC(=O)O[C@H]1C2=CC=CC=C2 SY012058 [0,1,0,1,0,0|0,0,1]=3 155 B14R2.6180 CC1(C)C(=O)C2=C(C=CC=C2)C1O SY030443 [0,1,0,1,0,0|2,0,0]=4 156 B12R1.27 CC(CO)OCC1=CC=CC=C1 SY030243 [1,0,0,0,0,1|2,0,0]=4 157 B12R1.27 C[C@H](CO)NCC1=CC=CC=C1 SY123602 [1,0,0,0,0,1|2,0,0]=4