0 B14R1.60 CCOC(=O)[C@@H](N)CC1=CC=CC=C1 Y12270 [0,0,0,0,0,0|1,0,0]=1 1 B14R1.60 CCOC(=O)[C@@H](O)CC1=CC=CC=C1 D97639 [0,0,0,0,0,0|0,0,0]=0 2 B13R1.42 CCOC(=O)C#CC1=CN=CC=C1 AC6430 [1,0,0,0,0,0|1,0,2]=4 3 B13R1.42 CCOC(=O)CCC1=NC=CC=C1 AC2306 [1,0,0,0,0,0|1,0,0]=2 4 B13R1.135 C=C(CC1=CC=CC=C1)C(=O)OC 75430 [1,0,0,0,0,0|1,0,1]=3 5 B13R1.135 CNC(=O)[C@@H](N)CC1=CC=CC=C1 C72746 [1,0,0,0,0,0|2,0,0]=3 6 B13R1.135 COC(=O)[C@@H](Br)CC1=CC=CC=C1 D97565 [1,0,0,0,0,0|1,0,0]=2 7 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 N12401 [1,0,0,0,0,0|1,0,0]=2 8 B13R1.135 COC(=O)[C@@H](N)CC1=CC=NC=C1 Y13030 [1,0,0,0,0,0|2,0,0]=3 9 B13R1.135 COC(=O)[C@@H](N)CC1=NC=CC=C1 74539 [1,0,0,0,0,0|2,0,0]=3 10 B13R1.135 COC(=O)[C@@H](N)CC1=NC=CC=C1 Y12123 [1,0,0,0,0,0|2,0,0]=3 11 B13R1.135 N[C@@H](CC1=CC=CC=C1)C(=O)CCl F10924 [1,0,0,0,0,0|2,0,0]=3 12 B15R1.48 CCOC(=O)C(=O)NC1=CC=C(Br)C=C1 C11559 [0,1,0,0,0,0|1,0,2]=4 13 B15R1.48 CCOC(=O)C(=O)NC1=CC=C(F)C=C1 W18454 [0,1,0,0,0,0|1,0,2]=4 14 B15R1.48 CCOC(=O)[C@@H](N)CC1=CC=C(F)C=C1 Y10795 [0,1,0,0,0,0|1,0,0]=2 15 B15R1.49 CCOC(=O)C(=O)NC1=CC=CC(Cl)=C1 W18548 [0,1,0,0,0,0|1,0,2]=4 16 B15R1.578 CCOC(=O)[C@@H](C)C(=O)C1=CC=CC=C1 F30065 [0,1,0,0,0,0|1,0,1]=3 17 B15R1.578 CCOC(=O)[C@H](O)[C@H](N)C1=CC=CC=C1 P18020 [0,1,0,0,0,0|0,0,0]=1 18 B15R2.38 O=C1NCCCN1CC2=CC=CC=C2 A10568 [0,0,0,1,0,0|3,0,0]=4 19 B15R2.38 O=C1NCCN[C@H]1CC2=CC=CC=C2 AT22487 [0,0,0,1,0,0|2,0,0]=3 20 B15R2.325 O=C1N[C@@H](CC2=CC=CC=C2)C(=O)O1 30826 [0,0,0,1,0,0|2,0,1]=4 21 B15R2.1342 CCOC(=O)[C@@H]1C[C@@H]1C2=CC=CC=C2 P20717 [0,0,0,1,0,0|1,0,0]=2 22 B15R2.1356 CCOC(=O)N1CC2=C(C1)N=CC=C2 73369 [0,0,0,1,0,0|3,0,0]=4 23 B15R2.1356 CCOC(=O)N1CC2=C(C=NC=C2)C1 C72810 [0,0,0,1,0,0|3,0,0]=4 24 B13R1.47 CCOC(=O)C(=O)C1=CN=CC=C1 25920 [0,0,0,0,1,0|1,0,2]=4 25 B13R1.47 CCOC(=O)[C@H](Br)C1=NC=CC=C1 93370 [0,0,0,0,1,0|2,0,0]=3 26 B13R1.47 CCOC(=O)[C@H](C)C1=CC=CC=C1 F13478 [0,0,0,0,1,0|1,0,0]=2 27 B13R1.47 CCOC(=O)[C@H](N)C1=CC=NC=C1 32467 [0,0,0,0,1,0|2,0,0]=3 28 B13R1.47 CCOC(=O)[C@H](N)C1=CN=CC=C1 F14058 [0,0,0,0,1,0|2,0,0]=3 29 B13R1.47 CCOC(=O)[C@H](N)C1=NC=CC=C1 32465 [0,0,0,0,1,0|2,0,0]=3 30 B13R1.47 CCOC(=O)[C@H](N)C1=NC=CC=C1 61481 [0,0,0,0,1,0|2,0,0]=3 31 B13R1.47 CCOC(=O)[C@H](N)C1=NC=CN=C1 66424 [0,0,0,0,1,0|3,0,0]=4 32 B15R1.809 CCOC(=O)CC(=O)CC1=CC=CC=C1 82566 [0,0,0,0,0,1|0,0,2]=3 33 B12R1.27 CCC(=O)NCC1=CC=CC=C1 Y13566 [2,0,0,0,0,0|1,0,0]=3 34 B12R1.27 COC(=O)CCC1=NC=CC=C1 AC5808 [2,0,0,0,0,0|1,0,0]=3 35 B12R1.27 COC(=O)NCC1=CC=CC=C1 C75727 [2,0,0,0,0,0|1,0,0]=3 36 B12R1.27 O=C(CBr)CCC1=CC=CC=C1 A11325 [2,0,0,0,0,0|1,0,0]=3 37 B12R1.32 COC[C@@H](N)CC1=CC=CC=C1 AB9579 [2,0,0,0,0,0|1,0,1]=4 38 B12R1.32 COC[C@@H](N)CC1=CC=CC=C1 AB9580 [2,0,0,0,0,0|1,0,1]=4 39 B12R1.43 CC(=O)[C@@H](C)CC1=CC=CC=C1 Y10616 [2,0,0,0,0,0|1,0,0]=3 40 B12R1.43 C[C@@H](CC1=NC=CC=C1)C(=O)O F14472 [2,0,0,0,0,0|2,0,0]=4 41 B12R1.43 C[C@H](NC1=CC=CC=C1)C(=O)O D82882 [2,0,0,0,0,0|2,0,0]=4 42 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O C73515 [2,0,0,0,0,0|1,0,0]=3 43 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O F16404 [2,0,0,0,0,0|2,0,0]=4 44 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 F16780 [2,0,0,0,0,0|1,0,0]=3 45 B14R1.29 CCOC(=O)CN(C)C1=NC=CC=C1 AC3365 [1,1,0,0,0,0|2,0,0]=4 46 B14R1.29 CCOC(=O)C[C@H](N)C1=CN=CC=C1 46245 [1,1,0,0,0,0|1,0,0]=3 47 B14R1.29 CCOC(=O)C[C@H](N)C1=CN=CC=C1 46247 [1,1,0,0,0,0|1,0,0]=3 48 B14R1.32 CCOC(=O)CCC1=CC(C)=CC=C1 C11585 [1,1,0,0,0,0|0,0,0]=2 49 B14R1.32 CCOC(=O)CCC1=CC=CC(Br)=C1 AB7159 [1,1,0,0,0,0|0,0,0]=2 50 B14R1.32 CCOC(=O)CCC1=CC=CC(Cl)=C1 D84518 [1,1,0,0,0,0|0,0,0]=2 51 B14R1.32 CCOC(=O)CNC1=CC=CC(Br)=C1 F52118 [1,1,0,0,0,0|1,0,0]=3 52 B14R1.32 CCOC(=O)COC1=CC=CC(F)=C1 AC6808 [1,1,0,0,0,0|1,0,0]=3 53 B14R1.32 CCOC(=O)\C=C\C1=CC(N)=CC=C1 50749 [1,1,0,0,0,0|0,0,2]=4 54 B14R1.32 CCOC(=O)\C=C\C1=CC(O)=CC=C1 W15436 [1,1,0,0,0,0|0,0,2]=4 55 B14R1.32 CCOC(=O)\C=C\C1=CC=CC(Cl)=C1 A10035 [1,1,0,0,0,0|0,0,2]=4 56 B14R1.156 CCCCC(=O)OCC1=CC=CC=C1 D81803 [1,1,0,0,0,0|2,0,0]=4 57 B14R1.156 O=C(CCCO)OCC1=CC=CC=C1 W16162 [1,1,0,0,0,0|2,0,0]=4 58 B14R1.502 CCOC(=O)C#CC1=CC=C(F)C=C1 84995 [1,1,0,0,0,0|0,0,2]=4 59 B14R1.502 CCOC(=O)CCC1=CC=C(Cl)C=C1 C10962 [1,1,0,0,0,0|0,0,0]=2 60 B14R1.502 CCOC(=O)CCC1=CC=C(N)C=C1 F20005 [1,1,0,0,0,0|0,0,0]=2 61 B14R1.502 CCOC(=O)COC1=CC=C(F)C=C1 W18870 [1,1,0,0,0,0|1,0,0]=3 62 B14R1.502 CCOC(=O)COC1=CC=C(O)C=C1 C11637 [1,1,0,0,0,0|1,0,0]=3 63 B14R1.598 CCOC(=O)CCC1=C(F)C=CC=N1 D79920 [1,1,0,0,0,0|1,0,0]=3 64 B14R1.598 CCOC(=O)CCC1=C(O)C=CC=C1 W18949 [1,1,0,0,0,0|0,0,0]=2 65 B14R1.598 CCOC(=O)COC1=C(O)C=CC=C1 F17454 [1,1,0,0,0,0|1,0,0]=3 66 B14R1.598 CCOC(=O)\C=C\C1=C(Cl)C=CC=C1 AB7167 [1,1,0,0,0,0|0,0,2]=4 67 B14R1.818 CC(C)NC(=O)CCC1=CC=CC=C1 W16282 [1,1,0,0,0,0|1,0,0]=3 68 B14R1.85 COC(=O)[C@@H](O)[C@H](N)C1=CC=CC=C1 25977 [1,1,0,0,0,0|0,0,0]=2 69 B14R1.85 COC(=O)[C@@H](O)[C@H](N)C1=CC=CC=C1 39076 [1,1,0,0,0,0|0,0,0]=2 70 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(Br)C=C1 AC2351 [1,1,0,0,0,0|1,0,0]=3 71 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(C)C=C1 Y11931 [1,1,0,0,0,0|1,0,0]=3 72 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(Cl)C=C1 N10875 [1,1,0,0,0,0|1,0,0]=3 73 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(I)C=C1 Y14801 [1,1,0,0,0,0|1,0,0]=3 74 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(N)C=C1 Y11386 [1,1,0,0,0,0|1,0,0]=3 75 B14R1.134 COC(=O)[C@@H](N)CC1=NC=C(Br)C=C1 Y11392 [1,1,0,0,0,0|2,0,0]=4 76 B14R1.134 COC(=O)[C@@H](N)CC1=NC=C(C)C=C1 N10729 [1,1,0,0,0,0|2,0,0]=4 77 B14R1.134 COC(=O)[C@@H](N)CC1=NC=C(C)C=C1 Y11473 [1,1,0,0,0,0|2,0,0]=4 78 B14R1.134 COC(=O)[C@@H](N)CC1=NC=C(Cl)C=C1 N10730 [1,1,0,0,0,0|2,0,0]=4 79 B14R1.134 COC(=O)[C@@H](N)CC1=NC=C(Cl)C=C1 Y12124 [1,1,0,0,0,0|2,0,0]=4 80 B14R1.134 COC(=O)[C@@H](O)CC1=CC=C(Br)C=C1 D93870 [1,1,0,0,0,0|0,0,0]=2 81 B14R1.134 COC(=O)[C@@H](O)CC1=CC=C(Br)C=C1 D93892 [1,1,0,0,0,0|0,0,0]=2 82 B14R1.134 COC(=O)[C@@H](O)CC1=CC=C(F)C=C1 72484 [1,1,0,0,0,0|0,0,0]=2 83 B14R1.135 COC(=O)[C@@H](N)CC1=CC(O)=CC=C1 F16895 [1,1,0,0,0,0|1,0,0]=3 84 B14R1.135 COC(=O)[C@@H](N)CC1=CC(O)=CC=C1 Y11618 [1,1,0,0,0,0|1,0,0]=3 85 B14R1.135 COC(=O)[C@@H](N)CC1=CC=CC(F)=C1 Y14045 [1,1,0,0,0,0|1,0,0]=3 86 B14R1.135 COC(=O)[C@@H](O)CC1=CC(O)=CC=C1 32553 [1,1,0,0,0,0|0,0,0]=2 87 B14R1.1031 CN[C@@H](CC1=CC=CC=C1)C(=O)OC F10718 [1,1,0,0,0,0|1,0,0]=3 88 B14R1.1107 COC(=O)C(C)(C)OC1=CC=CC=C1 D93254 [1,1,0,0,0,0|2,0,0]=4 89 B14R1.35 CCOC(=O)[C@H](N)C1=CC=C(Cl)C=C1 N11403 [0,1,0,0,1,0|1,0,0]=3 90 B14R1.35 CCOC(=O)[C@H](O)C1=CC=C(Cl)C=C1 AR2858 [0,1,0,0,1,0|0,0,0]=2 91 B14R1.36 CCOC(=O)C(=O)C1=CC=CC(Br)=C1 A10045 [0,1,0,0,1,0|0,0,2]=4 92 B14R1.510 CCOC(=O)C(C)(C)C1=CN=CC=C1 73372 [0,1,0,0,1,0|2,0,0]=4 93 B14R1.3348 CCOC(=O)C(=O)C1=C(Br)C=CC=C1 21190 [0,1,0,0,1,0|0,0,2]=4 94 B16R1.956 CCOC(=O)CC(=O)CC1=CC=CC(Br)=C1 20808 [0,1,0,0,0,1|0,0,2]=4 95 B16R1.685 CCOC(=O)[C@@H](Br)C(=O)C1=CC=C(Cl)C=C1 73852 [0,2,0,0,0,0|1,0,1]=4 96 B16R1.4970 CCOC(=O)[C@@H](N)CC1=CC(O)=C(O)C=C1 F52325 [0,2,0,0,0,0|1,0,0]=3 97 B16R1.15339 CCOC(=O)C(C)(C)OC1=CC=C(N)C=C1 AB9207 [0,2,0,0,0,0|2,0,0]=4 98 B16R1.15339 CCOC(=O)[C@@](C)(N)CC1=CC=C(O)C=C1 78211 [0,2,0,0,0,0|1,0,0]=3 99 B16R1.12572 CC(C)(C)OC(=O)[C@@H](O)CC1=CC=CC=C1 N10569 [0,2,0,0,0,0|0,0,0]=2 100 B16R1.15329 CCOC(=O)C(C)(C)C(=O)C1=CC=CC=C1 F31384 [0,2,0,0,0,0|1,0,1]=4 101 B16R1.15329 CCOC(=O)C(F)(F)[C@H](O)C1=CC=CC=C1 S11623 [0,2,0,0,0,0|1,0,0]=3 102 B16R1.13650 CCOC(=O)[C@@H](CC1=CC=CC=C1)C(C)=O D87683 [0,2,0,0,0,0|0,0,1]=3 103 B14R2.21 O=C1CCO[C@H](C2=CC=CC=C2)C1 25492 [1,0,0,1,0,0|2,0,0]=4 104 B14R2.598 O=C1C[C@H](C2=CC=CC=C2)C(=O)O1 86146 [1,0,0,1,0,0|1,0,1]=4 105 B14R2.2899 O=C(OCC1=CC=CC=C1)N2CC2 58577 [1,0,0,1,0,0|2,0,0]=4 106 B14R2.6 C1=CC=C(C[C@H]2CNCCO2)C=C1 98131 [1,0,0,1,0,0|1,0,1]=4 107 B14R2.6 C1=CC=C(C[C@H]2COCCN2)C=C1 77673 [1,0,0,1,0,0|1,0,1]=4 108 B14R2.6 C1=CC=C(C[C@H]2COCCN2)C=C1 FD6024 [1,0,0,1,0,0|1,0,1]=4 109 B14R2.24 OC1CCCCC1C2=CC=CC=C2 C12012 [1,0,0,1,0,0|1,0,1]=4 110 B14R2.24 O[C@H]1CCCC[C@@H]1C2=CC=CC=C2 T72125 [1,0,0,1,0,0|1,0,1]=4 111 B14R2.24 O[C@H]1CCCC[C@@H]1C2=CC=CC=C2 T72336 [1,0,0,1,0,0|1,0,1]=4 112 B14R2.972 COC(=O)C1CC2=C(C=CC=C2)C1 AC2381 [1,0,0,1,0,0|1,0,0]=3 113 B14R2.972 COC(=O)[C@@H]1CC2=C(C=CC=C2)N1 20722 [1,0,0,1,0,0|1,0,0]=3 114 B14R2.972 COC(=O)[C@@H]1CC2=C(C=CC=C2)N1 W19465 [1,0,0,1,0,0|1,0,0]=3 115 B14R2.279 N[C@@H]1C(=O)NCCC2=C1C=CC=C2 C15419 [0,0,0,1,1,0|2,0,0]=4 116 B16R2.734 CCOC(=O)CC1=NC2=C(C=CC=C2)O1 C73061 [0,0,0,1,0,1|1,0,1]=4 117 B16R2.767 CCOC(=O)[C@@H]1CCC2=C(C=CC=C2)O1 50347 [0,0,0,1,0,1|0,0,0]=2 118 B16R2.723 CCOC(=O)[C@H]1C[C@@H]1C2=CC=C(Br)C=C2 H11097 [0,1,0,1,0,0|1,0,0]=3 119 B16R2.755 CCOC(=O)C1=CC2=C(C=C(Cl)C=C2)O1 AC8184 [0,1,0,1,0,0|0,0,2]=4 120 B16R2.755 CCOC(=O)C1=CC2=C(C=C(O)C=C2)O1 AC7194 [0,1,0,1,0,0|0,0,2]=4 121 B16R2.755 CCOC(=O)C1=CC2=C(C=CC(Br)=C2)O1 61198 [0,1,0,1,0,0|0,0,2]=4 122 B16R2.755 CCOC(=O)C1=NC2=C(C=CC(F)=C2)O1 P20693 [0,1,0,1,0,0|1,0,1]=4 123 B16R2.755 CCOC(=O)C1=NC2=C(C=CC(N)=C2)O1 F14090 [0,1,0,1,0,0|1,0,1]=4 124 B16R2.757 CCOC(=O)C1=C(O)C2=C(C=CC=C2)S1 87687 [0,1,0,1,0,0|1,0,1]=4 125 B16R2.757 CCOC(=O)[C@@H]1CC2=C(C=CC=C2)C1=O 72266 [0,1,0,1,0,0|0,0,1]=3 126 B16R2.757 CCOC(=O)[C@@H]1OC2=C(C=CC=C2)C1=O C72231 [0,1,0,1,0,0|0,0,1]=3 127 B16R2.757 CCOC(=O)[C@@H]1OC2=C(C=CC=N2)C1=O C72154 [0,1,0,1,0,0|1,0,1]=4 128 B12R1.34 CNC(=O)[C@H](N)C1=CC=CC=C1 AB10122 [1,0,0,0,1,0|2,0,0]=4 129 B12R1.34 CNC(=O)[C@H](O)C1=CC=CC=C1 D83930 [1,0,0,0,1,0|1,0,0]=3 130 B12R1.34 COC(=O)[C@H](C)C1=CC=CC=C1 W18371 [1,0,0,0,1,0|1,0,0]=3 131 B12R1.34 COC(=O)[C@H](F)C1=CC=CC=C1 O11875 [1,0,0,0,1,0|1,0,0]=3 132 B12R1.34 COC(=O)[C@H](N)C1=CC=NC=C1 31581 [1,0,0,0,1,0|2,0,0]=4 133 B12R1.108 COC(=O)[C@@H](N)CC1=CC=CO1 D80703 [1,0,0,0,1,0|2,0,0]=4 134 B14R1.520 CCOC(=O)CNCC1=NC=CC=C1 T72721 [1,0,0,0,0,1|1,0,0]=3