0 B12R1.118 CN[C@H](CO)CC1=CC=CC=C1 SY033679 [0,0,0,0,0,0|3,0,0]=3 1 B12R1.118 N#CC(CO)CC1=CC=CC=C1 SY023620 [0,0,0,0,0,0|4,0,0]=4 2 B12R1.118 NCC(CO)CC1=CC=CC=C1 SY002578 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.40 CC(C#N)NC1=CC=CC=C1 SY027832 [1,0,0,0,0,0|3,0,0]=4 4 B11R1.40 COC(=O)CC1=CC=CN=C1 SY014800 [1,0,0,0,0,0|1,0,2]=4 5 B11R1.40 COC(=O)CC1=CC=CN=C1 SY033634 [1,0,0,0,0,0|1,0,2]=4 6 B11R1.40 COC(=O)CC1=CC=NC=C1 SY003565 [1,0,0,0,0,0|1,0,2]=4 7 B11R1.40 COC(=O)CC1=CC=NC=C1 SY007994 [1,0,0,0,0,0|1,0,2]=4 8 B11R1.40 COC(=O)CC1=NC=CC=C1 SY030291 [1,0,0,0,0,0|1,0,2]=4 9 B11R1.40 NC(CF)CC1=CC=CC=C1 SY045874 [1,0,0,0,0,0|3,0,0]=4 10 B11R1.40 NC(CO)CC1=CC=CC=C1 SY030554 [1,0,0,0,0,0|3,0,0]=4 11 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 SY013878 [1,0,0,0,0,0|3,0,0]=4 12 B11R1.40 N[C@H](CF)CC1=CC=CC=C1 SY045873 [1,0,0,0,0,0|3,0,0]=4 13 B13R1.3080 COP(=O)(CC1=CC=CC=C1)OC SY284594 [0,1,0,0,0,0|1,0,0]=2 14 B13R2.27 C[C@H]1CCN1CC2=CC=CC=C2 SY257754 [0,0,0,1,0,0|3,0,0]=4 15 B13R2.27 C[C@H]1CCN1CC2=CC=CC=C2 SY257755 [0,0,0,1,0,0|3,0,0]=4 16 B13R2.57 NCC1CC2=C(C=CC=C2)CO1 SY250682 [0,0,0,1,0,0|2,0,0]=3 17 B13R2.57 NCC1CC2=C(C=CC=C2)CO1 SY293995 [0,0,0,1,0,0|2,0,0]=3 18 B13R2.57 NNC1CCC2=C(C=CC=C2)C1 SY265143 [0,0,0,1,0,0|3,0,0]=4 19 B13R2.57 OC[C@@H]1CC2=C(C=CC=C2)CN1 SY017512 [0,0,0,1,0,0|3,0,0]=4 20 B13R2.57 OC[C@H]1CC2=C(C=CC=C2)CN1 SY017520 [0,0,0,1,0,0|3,0,0]=4 21 B13R2.64 C1=CC=C(CC2CCNC2)C=C1 SY128694 [0,0,0,1,0,0|3,0,0]=4 22 B13R2.101 ClCC1(CC2=CC=CC=C2)CC1 SY281167 [0,0,0,1,0,0|3,0,0]=4 23 B11R1.12 C1=CC=C(N(CC)CC)C=C1 SY246295 [0,0,0,0,1,0|3,0,0]=4 24 B11R1.12 CO[C@H](CN)C1=CC=CC=C1 SY286579 [0,0,0,0,1,0|2,0,0]=3 25 B10R1.17 BrCCCC1=CC=CC=C1 SY046253 [2,0,0,0,0,0|2,0,0]=4 26 B10R1.17 C1=CC=CC=C1CCC#N SY246292 [2,0,0,0,0,0|2,0,0]=4 27 B10R1.17 CCCC[N+]1=CC=CC=C1 SY023279 [2,0,0,0,0,0|2,0,0]=4 28 B10R1.17 CCCC[N+]1=CC=CC=C1 SY033834 [2,0,0,0,0,0|2,0,0]=4 29 B10R1.17 CNCCC1=CC=CC=C1 SY002512 [2,0,0,0,0,0|1,0,0]=3 30 B10R1.17 ClCCCC1=CC=CC=C1 SY048978 [2,0,0,0,0,0|2,0,0]=4 31 B10R1.17 ICCCC1=CC=CC=C1 SY249461 [2,0,0,0,0,0|2,0,0]=4 32 B10R1.17 NCCCC1=CC=CC=C1 SY049659 [2,0,0,0,0,0|2,0,0]=4 33 B10R1.17 NNCCC1=CC=CC=C1 SY048081 [2,0,0,0,0,0|2,0,0]=4 34 B10R1.17 NOCCC1=CC=CC=C1 SY114401 [2,0,0,0,0,0|1,0,0]=3 35 B10R1.17 NOCCC1=CC=CC=C1 SY281546 [2,0,0,0,0,0|1,0,0]=3 36 B10R1.17 OCCCC1=CC=CC=C1 SY003672 [2,0,0,0,0,0|2,0,0]=4 37 B10R1.18 CC(C)=CC1=CC=CC=C1 SY055240 [2,0,0,0,0,0|0,0,2]=4 38 B10R1.18 CC(C)CC1=CC=NC=C1 SY028398 [2,0,0,0,0,0|1,0,0]=3 39 B10R1.18 CC(O)CC1=CC=CC=C1 SY051093 [2,0,0,0,0,0|0,0,0]=2 40 B10R1.18 FC(F)CC1=CC=CC=C1 SY265774 [2,0,0,0,0,0|2,0,0]=4 41 B12R1.32 CN(CCCl)CC1=CC=CC=C1 SY011648 [1,1,0,0,0,0|2,0,0]=4 42 B12R1.32 CN(CCO)CC1=CC=CC=C1 SY025492 [1,1,0,0,0,0|2,0,0]=4 43 B12R1.34 CCC(C)C(N)C1=CC=CC=C1 SY040748 [1,1,0,0,0,0|1,0,0]=3 44 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 SY113594 [1,1,0,0,0,0|0,0,2]=4 45 B12R1.34 COC(=O)[C@@H](O)C1=CC=CC=C1 SY003754 [1,1,0,0,0,0|0,0,2]=4 46 B12R1.34 COC(=O)[C@H](N)C1=CC=CC=C1 SY020988 [1,1,0,0,0,0|0,0,2]=4 47 B12R1.34 COC(=O)[C@H](O)C1=CC=CC=C1 SY003762 [1,1,0,0,0,0|0,0,2]=4 48 B12R1.34 CON(C)C(=O)C1=CC=CC=C1 SY052485 [1,1,0,0,0,0|1,0,1]=4 49 B12R1.43 CC(CC1=CC=CC=C1)C(=O)O SY185587 [1,1,0,0,0,0|2,0,0]=4 50 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 SY036063 [1,1,0,0,0,0|2,0,0]=4 51 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 SY020879 [1,1,0,0,0,0|2,0,0]=4 52 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 SY021341 [1,1,0,0,0,0|2,0,0]=4 53 B12R1.49 COC(=O)CC1=CC=C(Br)C=C1 SY021204 [1,1,0,0,0,0|0,0,2]=4 54 B12R1.49 COC(=O)CC1=CC=C(C)C=C1 SY052935 [1,1,0,0,0,0|0,0,2]=4 55 B12R1.49 COC(=O)CC1=CC=C(Cl)C=C1 SY051360 [1,1,0,0,0,0|0,0,2]=4 56 B12R1.49 COC(=O)CC1=CC=C(F)C=C1 SY041951 [1,1,0,0,0,0|0,0,2]=4 57 B12R1.49 COC(=O)CC1=CC=C(I)C=C1 SY041745 [1,1,0,0,0,0|0,0,2]=4 58 B12R1.49 COC(=O)CC1=CC=C(N)C=C1 SY100571 [1,1,0,0,0,0|0,0,2]=4 59 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 SY001844 [1,1,0,0,0,0|0,0,2]=4 60 B12R1.50 COC(=O)CC1=CC(Br)=CC=C1 SY004524 [1,1,0,0,0,0|0,0,2]=4 61 B12R1.50 COC(=O)CC1=CC=CC(Cl)=C1 SY053038 [1,1,0,0,0,0|0,0,2]=4 62 B12R1.50 COC(=O)CC1=CC=CC(F)=C1 SY051263 [1,1,0,0,0,0|0,0,2]=4 63 B12R1.50 COC(=O)CC1=CC=CC(N)=C1 SY005119 [1,1,0,0,0,0|0,0,2]=4 64 B12R1.50 COC(=O)CC1=CC=CC(O)=C1 SY023952 [1,1,0,0,0,0|0,0,2]=4 65 B12R1.371 COC(=O)CC1=C(O)C=CC=C1 SY032006 [1,1,0,0,0,0|0,0,2]=4 66 B12R1.371 COC(=O)CC1=CC=CC=C1Br SY023296 [1,1,0,0,0,0|0,0,2]=4 67 B12R1.371 COC(=O)CC1=CC=CC=C1C SY106492 [1,1,0,0,0,0|0,0,2]=4 68 B12R1.371 COC(=O)CC1=CC=CC=C1Cl SY021282 [1,1,0,0,0,0|0,0,2]=4 69 B12R1.371 COC(=O)CC1=CC=CC=C1F SY258978 [1,1,0,0,0,0|0,0,2]=4 70 B12R1.371 COC(=O)CC1=CC=CC=C1I SY311934 [1,1,0,0,0,0|0,0,2]=4 71 B12R1.12 COC(OC)C1=CC=C(Br)C=C1 SY024052 [0,1,0,0,1,0|0,0,0]=2 72 B12R1.13 COC(OC)C1=NC(N)=NC=C1 SY039681 [0,1,0,0,1,0|2,0,0]=4 73 B12R1.475 CO[Si](C)(OC)C1=CC=CC=C1 SY041909 [0,1,0,0,1,0|0,1,0]=3 74 B12R1.478 COC(C(=O)O)C1=CC=CC=C1 SY012964 [0,1,0,0,1,0|2,0,0]=4 75 B12R1.478 CO[C@@H](C(=O)O)C1=CC=CC=C1 SY013786 [0,1,0,0,1,0|2,0,0]=4 76 B12R1.478 CO[C@H](C(=O)O)C1=CC=CC=C1 SY021799 [0,1,0,0,1,0|2,0,0]=4 77 B14R1.529 COC(COC1=CC=C(Br)C=C1)OC SY005436 [0,1,0,0,0,1|0,0,0]=2 78 B14R1.1031 CN[C@H](CC1=CC=CC=C1)C(=O)OC SY249564 [0,2,0,0,0,0|1,0,0]=3 79 B14R1.536 CO[C@H](CC1=CC=C(N)C=C1)C(=O)O SY268138 [0,2,0,0,0,0|2,0,0]=4 80 B14R1.3634 COP(=O)(CC1=CC=C(O)C=C1)OC SY275257 [0,2,0,0,0,0|1,0,0]=3 81 B14R1.8844 COC(C)(CC1=CC=CC=C1)C(=O)O SY308776 [0,2,0,0,0,0|2,0,0]=4 82 B12R2.18 CC1CC2=C(C=CC=C2)C1=O SY081370 [1,0,0,1,0,0|2,0,0]=4 83 B12R2.18 NC1C2=CC=CC=C2CC1O SY003676 [1,0,0,1,0,0|2,0,0]=4 84 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 85 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 86 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 87 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 88 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 89 B12R2.24 BrC1CCC2=C(C=CC=C2)C1 SY297477 [1,0,0,1,0,0|2,0,0]=4 90 B12R2.24 CC1CCC2=C(C=CC=C2)N1 SY045570 [1,0,0,1,0,0|2,0,0]=4 91 B12R2.24 NC1CCC2=C(C=CC=C2)C1 SY031850 [1,0,0,1,0,0|2,0,0]=4 92 B12R2.24 N[C@@H]1CCC2=C(C=CC=C2)C1 SY118721 [1,0,0,1,0,0|2,0,0]=4 93 B12R2.24 O=C1CC2=C(C=CC=C2)CO1 SY036247 [1,0,0,1,0,0|0,0,2]=4 94 B12R2.24 OC1CC2=C(C=CC=C2)CO1 SY293993 [1,0,0,1,0,0|0,0,0]=2 95 B12R2.24 OC1CCC2=C(C=CC=C2)C1 SY056861 [1,0,0,1,0,0|1,0,0]=3 96 B12R2.27 CNC1CC1C2=CC=CC=C2 SY262087 [1,0,0,1,0,0|1,0,0]=3 97 B12R2.32 OCC1CC2=CC=CC=C2O1 SY045474 [1,0,0,1,0,0|2,0,0]=4 98 B12R2.2 C1=CC=C(C2=NCCO2)C=C1 SY052471 [0,0,0,1,1,0|1,0,1]=4 99 B12R2.2 C1=CC=C(C2CCCN2)C=C1 SY063719 [0,0,0,1,1,0|2,0,0]=4 100 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 SY060796 [0,0,0,1,1,0|2,0,0]=4 101 B10R1.15 C#CC(O)C1=CC=CC=C1 SY008627 [1,0,0,0,1,0|1,0,1]=4 102 B10R1.15 C#C[C@@H](O)C1=CC=CC=C1 SY008626 [1,0,0,0,1,0|1,0,1]=4 103 B10R1.15 C#C[C@H](O)C1=CC=CC=C1 SY008625 [1,0,0,0,1,0|1,0,1]=4 104 B10R1.15 CC(C=O)C1=CC=CC=C1 SY049214 [1,0,0,0,1,0|2,0,0]=4 105 B10R1.15 CCC(O)C1=CC=CC=C1 SY020321 [1,0,0,0,1,0|1,0,0]=3 106 B10R1.15 CCN(C)C1=CC=CC=C1 SY032004 [1,0,0,0,1,0|2,0,0]=4 107 B10R1.15 COS(=O)C1=CC=CC=C1 SY050665 [1,0,0,0,1,0|1,0,1]=4 108 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 SY017826 [1,0,0,0,1,0|2,0,0]=4 109 B10R1.15 C[C@H](C=O)C1=CC=CC=C1 SY036236 [1,0,0,0,1,0|2,0,0]=4 110 B10R1.15 C[C@H](CO)C1=CC=CC=C1 SY036226 [1,0,0,0,1,0|2,0,0]=4 111 B10R1.15 NCC(O)C1=CC=CC=C1 SY042533 [1,0,0,0,1,0|2,0,0]=4 112 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 SY013940 [1,0,0,0,1,0|2,0,0]=4 113 B10R1.15 NC[C@H](O)C1=CC=CC=C1 SY009089 [1,0,0,0,1,0|2,0,0]=4 114 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 SY017542 [1,0,0,0,1,0|2,0,0]=4 115 B10R1.15 OC[C@H](O)C1=CC=CC=C1 SY017543 [1,0,0,0,1,0|2,0,0]=4 116 B10R1.15 O[C@@H](CCl)C1=CC=CC=C1 SY101214 [1,0,0,0,1,0|2,0,0]=4 117 B12R1.27 CC(CO)OCC1=CC=CC=C1 SY030243 [1,0,0,0,0,1|2,0,0]=4 118 B12R1.27 COC(=O)CCC1=CC=CC=C1 SY017877 [1,0,0,0,0,1|0,0,2]=4 119 B12R1.27 COC(=O)COC1=CC=CC=C1 SY037886 [1,0,0,0,0,1|0,0,2]=4 120 B12R1.27 C[C@H](CO)NCC1=CC=CC=C1 SY123602 [1,0,0,0,0,1|2,0,0]=4 121 B14R1.546 COC(COCC1=CC=CC=C1)OC SY109449 [0,0,0,0,0,2|0,0,0]=2