0 B14R1.60 CCOC(=O)C(=O)CC1=NC=CN=C1 E61637 [0,0,0,0,0,0|2,0,2]=4 1 B14R1.60 CCOC(=O)[C@@H](N)CC1=CC=CC=C1 E68535 [0,0,0,0,0,0|1,0,0]=1 2 B13R1.42 CCCC(=O)CCC1=CC=CC=C1 P56074 [1,0,0,0,0,0|1,0,0]=2 3 B13R1.42 CCOC(=O)C#CC1=CC=CC=C1 E62302 [1,0,0,0,0,0|0,0,2]=3 4 B13R1.42 CCOC(=O)CNC1=CC=CC=C1 P52940 [1,0,0,0,0,0|1,0,0]=2 5 B13R1.42 CCOC(=O)COC1=CN=CC=C1 E50088 [1,0,0,0,0,0|2,0,0]=3 6 B13R1.42 CCOC(=O)\C=C\C1=CC=CC=C1 E69409 [1,0,0,0,0,0|0,0,2]=3 7 B13R1.42 CNCC(=O)OCC1=CC=CC=C1 B62459 [1,0,0,0,0,0|3,0,0]=4 8 B13R1.42 NCCC(=O)OCC1=CC=CC=C1 B68220 [1,0,0,0,0,0|3,0,0]=4 9 B13R1.135 CNC(=O)[C@H](N)CC1=CC=CC=C1 A53040 [1,0,0,0,0,0|2,0,0]=3 10 B13R1.135 COC(=O)[C@@H](Br)CC1=CC=CC=C1 M52623 [1,0,0,0,0,0|1,0,0]=2 11 B13R1.135 COC(=O)[C@@H](Cl)CC1=CC=CC=C1 M22031 [1,0,0,0,0,0|1,0,0]=2 12 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 M69265 [1,0,0,0,0,0|1,0,0]=2 13 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 M37251 [1,0,0,0,0,0|0,0,0]=1 14 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 M52845 [1,0,0,0,0,0|0,0,0]=1 15 B13R1.135 COC(=O)[C@H](O)CC1=CC=CC=C1 M52844 [1,0,0,0,0,0|0,0,0]=1 16 B15R1.48 CCOC(=O)C(=O)NC1=CC=C(Br)C=C1 E65719 [0,1,0,0,0,0|1,0,2]=4 17 B15R1.48 CCOC(=O)C(=O)NC1=CC=C(Cl)C=C1 E65718 [0,1,0,0,0,0|1,0,2]=4 18 B15R1.48 CCOC(=O)[C@@H](N)CC1=CC=C(F)C=C1 E55479 [0,1,0,0,0,0|1,0,0]=2 19 B15R1.48 CCOC(=O)[C@H](C)OC1=CC=C(O)C=C1 E54807 [0,1,0,0,0,0|2,0,0]=3 20 B15R1.48 CCOC(=O)[C@H](N)CC1=CC=C(F)C=C1 E55478 [0,1,0,0,0,0|1,0,0]=2 21 B15R1.578 CCOC(=O)[C@@H](C)C(=O)C1=CC=CC=C1 E37287 [0,1,0,0,0,0|1,0,1]=3 22 B15R2.325 O=C1N[C@@H](CC2=CC=CC=C2)C(=O)O1 B53954 [0,0,0,1,0,0|2,0,1]=4 23 B15R2.325 O=C1N[C@@H](CC2=CC=CC=C2)C(=O)O1 P69617 [0,0,0,1,0,0|2,0,1]=4 24 B15R2.1342 CCOC(=O)[C@@H]1C[C@H]1C2=CC=CC=C2 E30019 [0,0,0,1,0,0|1,0,0]=2 25 B15R2.1356 CCOC(=O)C1=CC2=C(C=CC=C2)N1 E23375 [0,0,0,1,0,0|1,0,2]=4 26 B15R2.1356 CCOC(=O)C1=CC2=C(C=CC=C2)O1 E1007 [0,0,0,1,0,0|0,0,2]=3 27 B15R2.1356 CCOC(=O)C1=NC2=C(C=CC=C2)N1 E52314 [0,0,0,1,0,0|2,0,1]=4 28 B15R2.1356 CCOC(=O)C1=NC2=C(C=CC=C2)S1 E53949 [0,0,0,1,0,0|1,1,1]=4 29 B15R2.1356 CCOC(=O)N1CC2=C(C=NC=C2)C1 E52698 [0,0,0,1,0,0|3,0,0]=4 30 B13R1.47 CCOC(=O)C(=O)C1=NC=CC=C1 E15017 [0,0,0,0,1,0|1,0,2]=4 31 B13R1.47 CCOC(=O)[C@@H](N)C1=CC=CC=C1 E63316 [0,0,0,0,1,0|1,0,0]=2 32 B13R1.47 CCOC(=O)[C@H](N)C1=CC=CC=C1 E8869 [0,0,0,0,1,0|1,0,0]=2 33 B13R1.47 CCOC(=O)[C@H](N)C1=NC=CC=C1 E15413 [0,0,0,0,1,0|2,0,0]=3 34 B13R1.47 CCOC(=O)[C@H](N)C1=NC=CC=C1 E61729 [0,0,0,0,1,0|2,0,0]=3 35 B15R1.809 CCOC(=O)CC(=O)CC1=CC=CC=C1 E55926 [0,0,0,0,0,1|0,0,2]=3 36 B15R1.826 CCOC(=O)[C@@H](N)CCC1=CC=CC=C1 E67497 [0,0,0,0,0,1|1,0,0]=2 37 B15R1.826 CCOC(=O)[C@H](N)CCC1=CC=CC=C1 H56622 [0,0,0,0,0,1|1,0,0]=2 38 B15R1.826 CCOC(=O)[C@H](O)CCC1=CC=CC=C1 E68769 [0,0,0,0,0,1|0,0,0]=1 39 B15R1.826 CCOC(=O)\C(Cl)=N\NC1=CC=CC=C1 E60618 [0,0,0,0,0,1|2,0,1]=4 40 B12R1.27 COC(=O)C#CC1=CC=CC=C1 M53792 [2,0,0,0,0,0|0,0,2]=4 41 B12R1.27 COC(=O)CCC1=CC=CC=C1 M39604 [2,0,0,0,0,0|0,0,0]=2 42 B12R1.27 COC(=O)COC1=CC=CC=C1 M37813 [2,0,0,0,0,0|1,0,0]=3 43 B12R1.27 COC(=O)NCC1=CC=CC=C1 M50032 [2,0,0,0,0,0|1,0,0]=3 44 B12R1.27 NCC(=O)OCC1=CC=CC=C1 B67680 [2,0,0,0,0,0|2,0,0]=4 45 B12R1.27 O=C(CBr)CCC1=CC=CC=C1 B52666 [2,0,0,0,0,0|1,0,0]=3 46 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 B68284 [2,0,0,0,0,0|2,0,0]=4 47 B12R1.27 O=C(CO)OCC1=CC=CC=C1 B22937 [2,0,0,0,0,0|2,0,0]=4 48 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O B39587 [2,0,0,0,0,0|1,0,1]=4 49 B12R1.43 CC(=O)[C@@H](C)CC1=CC=CC=C1 M54757 [2,0,0,0,0,0|1,0,0]=3 50 B12R1.43 C[C@H](OC1=CC=CC=C1)C(=O)O P69450 [2,0,0,0,0,0|2,0,0]=4 51 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 A67883 [2,0,0,0,0,0|2,0,0]=4 52 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O A52116 [2,0,0,0,0,0|1,0,0]=3 53 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O P69134 [2,0,0,0,0,0|1,0,0]=3 54 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O A49500 [2,0,0,0,0,0|2,0,0]=4 55 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O A49660 [2,0,0,0,0,0|2,0,0]=4 56 B12R1.43 N[C@@H](CC1=CN=CC=C1)C(=O)O A49659 [2,0,0,0,0,0|2,0,0]=4 57 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(=O)O A46684 [2,0,0,0,0,0|2,0,0]=4 58 B12R1.43 N[C@H](CC1=CC=NC=C1)C(=O)O A61463 [2,0,0,0,0,0|2,0,0]=4 59 B12R1.43 N[C@H](CC1=CN=CC=C1)C(=O)O A60776 [2,0,0,0,0,0|2,0,0]=4 60 B12R1.43 O=C(Cl)[C@@H](Br)CC1=CC=CC=C1 B6285 [2,0,0,0,0,0|2,0,0]=4 61 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 B8639 [2,0,0,0,0,0|1,0,0]=3 62 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 H49929 [2,0,0,0,0,0|0,0,0]=2 63 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 H49928 [2,0,0,0,0,0|0,0,0]=2 64 B12R1.43 O=C([O-])N(O)CC1=CC=CC=C1 B49301 [2,0,0,0,0,0|1,0,1]=4 65 B14R1.29 CCOC(=O)C=C(C)C1=CC=CC=C1 E55917 [1,1,0,0,0,0|0,0,2]=4 66 B14R1.29 CCOC(=O)CC(=O)C1=CC=NC=C1 E7874 [1,1,0,0,0,0|1,0,1]=4 67 B14R1.29 CCOC(=O)CC(=O)C1=CN=CC=C1 E13942 [1,1,0,0,0,0|1,0,1]=4 68 B14R1.29 CCOC(=O)CC(=O)C1=NC=CC=C1 E52593 [1,1,0,0,0,0|1,0,1]=4 69 B14R1.29 CCOC(=O)C[C@H](N)C1=CC=CC=C1 E55507 [1,1,0,0,0,0|0,0,0]=2 70 B14R1.29 CCOC(=O)C[C@H](N)C1=CN=CC=C1 E54240 [1,1,0,0,0,0|1,0,0]=3 71 B14R1.29 CCOC(=O)C[C@H](O)C1=CC=CC=C1 E54794 [1,1,0,0,0,0|0,0,0]=2 72 B14R1.32 CCOC(=O)CCC1=CC(C)=CC=C1 E66327 [1,1,0,0,0,0|0,0,0]=2 73 B14R1.32 CCOC(=O)CNC1=CC=CC(Br)=C1 E52756 [1,1,0,0,0,0|1,0,0]=3 74 B14R1.156 NCCNC(=O)OCC1=CC=CC=C1 B36901 [1,1,0,0,0,0|2,0,0]=4 75 B14R1.156 NCCNC(=O)OCC1=CC=CC=C1 B54180 [1,1,0,0,0,0|2,0,0]=4 76 B14R1.156 O=C(CCCBr)OCC1=CC=CC=C1 B54663 [1,1,0,0,0,0|2,0,0]=4 77 B14R1.156 O=C(CCCO)OCC1=CC=CC=C1 B61831 [1,1,0,0,0,0|2,0,0]=4 78 B14R1.156 O=C(NCCBr)OCC1=CC=CC=C1 B36632 [1,1,0,0,0,0|2,0,0]=4 79 B14R1.502 CCOC(=O)C#CC1=CC=C(Cl)C=C1 E55405 [1,1,0,0,0,0|0,0,2]=4 80 B14R1.502 CCOC(=O)CCC1=CC=C(Br)C=C1 E38388 [1,1,0,0,0,0|0,0,0]=2 81 B14R1.502 CCOC(=O)CCC1=CC=C(Cl)C=C1 E66576 [1,1,0,0,0,0|0,0,0]=2 82 B14R1.502 CCOC(=O)CCC1=CC=C(F)C=C1 E54678 [1,1,0,0,0,0|0,0,0]=2 83 B14R1.502 CCOC(=O)CCC1=CC=C(O)C=C1 E54798 [1,1,0,0,0,0|0,0,0]=2 84 B14R1.502 CCOC(=O)COC1=CC=C(O)C=C1 E65342 [1,1,0,0,0,0|1,0,0]=3 85 B14R1.502 CCOC(=O)\C=C\C1=CC=C(Br)C=C1 E54450 [1,1,0,0,0,0|0,0,2]=4 86 B14R1.502 CCOC(=O)\C=C\C1=CC=C(Br)C=C1 E61841 [1,1,0,0,0,0|0,0,2]=4 87 B14R1.598 CCOC(=O)CCC1=C(Br)C=CC=C1 E54669 [1,1,0,0,0,0|0,0,0]=2 88 B14R1.598 CCOC(=O)COC1=C(O)C=CC=C1 E52853 [1,1,0,0,0,0|1,0,0]=3 89 B14R1.85 COC(=O)[C@@H](O)[C@H](N)C1=CC=CC=C1 M11943 [1,1,0,0,0,0|0,0,0]=2 90 B14R1.85 COC(=O)[C@H](O)[C@H](N)C1=CC=CC=C1 M11942 [1,1,0,0,0,0|0,0,0]=2 91 B14R1.134 COC(=O)[C@@H](C)OC1=CC=C(O)C=C1 M52859 [1,1,0,0,0,0|2,0,0]=4 92 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(Br)C=C1 M67781 [1,1,0,0,0,0|1,0,0]=3 93 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(F)C=C1 M54134 [1,1,0,0,0,0|1,0,0]=3 94 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(O)C=C1 M54169 [1,1,0,0,0,0|1,0,0]=3 95 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(O)C=C1 M67908 [1,1,0,0,0,0|1,0,0]=3 96 B14R1.134 COC(=O)[C@@H](N)CC1=NC=C(C)C=C1 M54181 [1,1,0,0,0,0|2,0,0]=4 97 B14R1.134 COC(=O)[C@@H](N)CC1=NC=C(Cl)C=C1 M49988 [1,1,0,0,0,0|2,0,0]=4 98 B14R1.135 COC(=O)[C@@H](N)CC1=CC(O)=CC=C1 M32208 [1,1,0,0,0,0|1,0,0]=3 99 B14R1.135 COC(=O)[C@@H](O)CC1=CC(O)=CC=C1 M52860 [1,1,0,0,0,0|0,0,0]=2 100 B14R1.1107 COC(=O)[C@@](C)(N)CC1=CC=CC=C1 M55508 [1,1,0,0,0,0|1,0,0]=3 101 B14R1.35 CCOC(=O)C(=O)C1=CC=C(Br)C=C1 E22198 [0,1,0,0,1,0|0,0,2]=4 102 B14R1.35 CCOC(=O)C(=O)C1=CC=C(C)C=C1 E54571 [0,1,0,0,1,0|0,0,2]=4 103 B14R1.35 CCOC(=O)C(=O)C1=CC=C(Cl)C=C1 E54025 [0,1,0,0,1,0|0,0,2]=4 104 B14R1.35 CCOC(=O)C(=O)C1=CC=C(O)C=C1 E52483 [0,1,0,0,1,0|0,0,2]=4 105 B14R1.35 CCOC(=O)[C@H](Br)C1=CC=C(Cl)C=C1 E52444 [0,1,0,0,1,0|1,0,0]=3 106 B14R1.35 CCOC(=O)[C@H](Br)C1=CC=C(F)C=C1 E38893 [0,1,0,0,1,0|1,0,0]=3 107 B14R1.510 CCOC(=O)C(C)(C)C1=CC=CC=C1 E56083 [0,1,0,0,1,0|1,0,0]=3 108 B14R1.510 CCOC(=O)C(F)(F)C1=NC=CC=C1 E14104 [0,1,0,0,1,0|2,0,0]=4 109 B14R1.604 CCOC(=O)[C@H](C#N)C1=CC=CC=C1 E54414 [0,1,0,0,1,0|1,0,0]=3 110 B14R1.3348 CCOC(=O)C(=O)C1=C(Cl)C=CC=C1 E24590 [0,1,0,0,1,0|0,0,2]=4 111 B14R1.3348 CCOC(=O)C(=O)C1=C(F)C=CC=C1 E54029 [0,1,0,0,1,0|0,0,2]=4 112 B14R1.3348 CCOC(=O)[C@H](N)C1=C(Cl)C=NC=C1 E49987 [0,1,0,0,1,0|2,0,0]=4 113 B16R1.912 CCOC(=O)C(=O)CC(=O)C1=CC=CC=C1 E55774 [0,1,0,0,0,1|0,0,2]=4 114 B16R1.1065 CC(C)OC(=O)[C@@H](N)CC1=CC=C(O)C=C1 I37095 [0,2,0,0,0,0|1,0,0]=3 115 B16R1.15339 CCOC(=O)[C@@](C)(N)CC1=CC=C(O)C=C1 E56172 [0,2,0,0,0,0|1,0,0]=3 116 B16R1.12572 CC(C)(C)OC(=O)[C@@H](N)CC1=CC=CC=C1 B68507 [0,2,0,0,0,0|1,0,0]=3 117 B16R1.12572 CC(C)(C)OC(=O)[C@H](N)CC1=CC=CC=C1 B68048 [0,2,0,0,0,0|1,0,0]=3 118 B14R2.598 C[C@@H]1NC(=O)O[C@@H]1C2=CC=CC=C2 M52572 [1,0,0,1,0,0|2,0,0]=4 119 B14R2.6 C1=CC=C(C[C@H]2CNCCO2)C=C1 B54854 [1,0,0,1,0,0|1,0,1]=4 120 B14R2.24 OC1CCCCC1C2=CC=CC=C2 P64238 [1,0,0,1,0,0|1,0,1]=4 121 B14R2.972 COC(=O)C1=NC2=C(C=CC=C2)O1 M51214 [1,0,0,1,0,0|1,0,1]=4 122 B14R2.972 COC(=O)[C@@H]1CC2=C(C=CC=C2)N1 M66075 [1,0,0,1,0,0|1,0,0]=3 123 B16R2.734 CCOC(=O)CC1=NC2=C(C=CC=C2)O1 E54434 [0,0,0,1,0,1|1,0,1]=4 124 B16R2.767 CCOC(=O)[C@@H]1CCC2=C(C=CC=C2)N1 E36824 [0,0,0,1,0,1|1,0,0]=3 125 B16R2.755 CCOC(=O)C1=CC2=C(C=CC(N)=C2)O1 E15529 [0,1,0,1,0,0|0,0,2]=4 126 B16R2.755 CCOC(=O)C1=CC2=C(C=CC(N)=C2)O1 E66546 [0,1,0,1,0,0|0,0,2]=4 127 B16R2.764 CCOC(=O)C1=CC2=C(C=CC=C2N)O1 E54435 [0,1,0,1,0,0|0,0,2]=4 128 B16R2.757 CCOC(=O)C1=C(O)C2=C(C=CC=C2)S1 E67357 [0,1,0,1,0,0|1,0,1]=4 129 B16R2.757 CCOC(=O)[C@@H]1OC2=C(C=CC=C2)C1=O E54365 [0,1,0,1,0,0|0,0,1]=3 130 B16R2.757 CCOC(=O)[C@@H]1OC2=C(C=CC=N2)C1=O E53979 [0,1,0,1,0,0|1,0,1]=4 131 B12R1.30 CCOC[C@H](N)C1=CC=CC=C1 E62365 [1,0,0,0,1,0|1,0,1]=4 132 B12R1.34 COC(=O)C(=O)C1=CC=CC=C1 M61037 [1,0,0,0,1,0|0,0,2]=4 133 B12R1.34 COC(=O)[C@@H](N)C1=CC=CC=C1 M52118 [1,0,0,0,1,0|1,0,0]=3 134 B12R1.34 COC(=O)[C@@H](O)C1=CC=CC=C1 M60693 [1,0,0,0,1,0|0,0,0]=2 135 B12R1.34 COC(=O)[C@H](C)C1=CC=CC=C1 M52797 [1,0,0,0,1,0|1,0,0]=3 136 B12R1.34 COC(=O)[C@H](N)C1=CC=CC=C1 M68802 [1,0,0,0,1,0|1,0,0]=3 137 B12R1.34 COC(=O)[C@H](N)C1=CC=CC=C1 M69157 [1,0,0,0,1,0|1,0,0]=3 138 B12R1.34 COC(=O)[C@H](O)C1=CC=CC=C1 M69044 [1,0,0,0,1,0|0,0,0]=2 139 B14R1.520 CCOC(=O)CCNC1=NC=CC=C1 E53049 [1,0,0,0,0,1|1,0,0]=3 140 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 E65599 [1,0,0,0,0,1|0,0,0]=2 141 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 E68308 [1,0,0,0,0,1|0,0,0]=2 142 B14R1.520 CCOC(=O)COCC1=CC=CC=C1 E54787 [1,0,0,0,0,1|0,0,0]=2 143 B14R1.520 CCOC(=O)NCCC1=CC=CC=C1 E54861 [1,0,0,0,0,1|0,0,0]=2 144 B16R1.1570 CCOC(=O)CC(=O)NCC1=CC=CC=C1 E55991 [0,0,0,0,0,2|0,0,2]=4