0 B8R1.18 CN1C[C@H](O)[C@@H](F)C1 97557 [0,0,0,0,0,0|3,1,0]=4 1 B8R1.18 CN1C[C@H](O)[C@H](N)C1 P17126 [0,0,0,0,0,0|3,1,0]=4 2 B7R1.2 C[C@@H]1COC(=O)C1 64712 [1,0,0,0,0,0|2,0,1]=4 3 B7R1.2 C[C@@H]1COC(=O)C1 69011 [1,0,0,0,0,0|2,0,1]=4 4 B7R1.2 C[C@@H]1C[C@H](O)CN1 W10042 [1,0,0,0,0,0|1,1,0]=3 5 B7R1.2 C[C@H]1CC[C@H](C)N1 D85954 [1,0,0,0,0,0|1,0,0]=2 6 B7R1.2 C[C@H]1CC[C@H](C)N1 P17787 [1,0,0,0,0,0|1,0,0]=2 7 B7R1.2 C[C@H]1C[C@H](F)CN1 W10043 [1,0,0,0,0,0|2,0,0]=3 8 B7R1.2 C[C@H]1C[C@H](O)CN1 P15836 [1,0,0,0,0,0|1,1,0]=3 9 B7R1.2 C[C@H]1C[C@H](O)CN1 W10041 [1,0,0,0,0,0|1,1,0]=3 10 B7R1.2 N[C@@H]1CC[C@H](F)C1 73246 [1,0,0,0,0,0|3,0,0]=4 11 B7R1.2 N[C@H]1CC[C@@H](N)C1 C75982 [1,0,0,0,0,0|3,0,0]=4 12 B7R1.2 N[C@H]1CC[C@@H](N)C1 D78669 [1,0,0,0,0,0|3,0,0]=4 13 B7R1.2 N[C@H]1CC[C@H](N)C1 D96861 [1,0,0,0,0,0|3,0,0]=4 14 B7R1.2 N[C@H]1CC[C@H](O)C1 31095 [1,0,0,0,0,0|2,1,0]=4 15 B7R1.2 N[C@H]1CC[C@H](O)C1 P11035 [1,0,0,0,0,0|2,1,0]=4 16 B7R1.2 N[C@H]1CC[C@H](O)C1 W10025 [1,0,0,0,0,0|2,1,0]=4 17 B7R1.2 O[C@H]1CC[C@H](O)C1 P18410 [1,0,0,0,0,0|2,1,0]=4 18 B7R1.4 BrC1CCCC1Br D96921 [1,0,0,0,0,0|3,0,0]=4 19 B7R1.4 C[C@@H]1NCC[C@@H]1O C77439 [1,0,0,0,0,0|1,1,0]=3 20 B7R1.4 C[C@@H]1OCC[C@@H]1N 73023 [1,0,0,0,0,0|1,0,0]=2 21 B7R1.4 C[C@H]1NCC[C@@H]1O AT22501 [1,0,0,0,0,0|1,1,0]=3 22 B7R1.4 C[C@H]1NCC[C@@H]1O P21062 [1,0,0,0,0,0|1,1,0]=3 23 B7R1.4 N[C@H]1CCC[C@@H]1F P18723 [1,0,0,0,0,0|3,0,0]=4 24 B9R2.38 CN1CC2CC2(N)C1 P18871 [0,0,0,1,0,0|3,0,0]=4 25 B9R2.39 FC1CC2CC1CN2 P20400 [0,0,0,1,0,0|3,0,0]=4 26 B9R2.39 OC1CC2CNC1C2 P15968 [0,0,0,1,0,0|2,1,0]=4 27 B9R2.39 O[C@H]1C[C@@H]2CC[C@H]1N2 P15209 [0,0,0,1,0,0|1,1,0]=3 28 B9R2.39 O[C@H]1C[C@H]2CC[C@@H]1N2 P15722 [0,0,0,1,0,0|1,1,0]=3 29 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)N1 P12608 [0,0,0,0,0,1|1,1,1]=4 30 B9R1.69 C[C@H]1CNC(=O)[C@H](C)N1 P17728 [0,0,0,0,0,1|1,1,1]=4 31 B9R1.69 C[C@H]1CNC(=O)[C@H](C)N1 P17729 [0,0,0,0,0,1|1,1,1]=4 32 B9R1.69 C[C@H]1CN[C@H](C)CN1C D72619 [0,0,0,0,0,1|3,0,0]=4 33 B6R0.2 C[C@H](O)CN(C)C AT22519 [1,0,1,0,0,0|2,0,0]=4 34 B6R0.4 C[C@H](Cl)CCCO AC5969 [1,0,1,0,0,0|2,0,0]=4 35 B6R1.2 Cl[C@H]1CCNC1 W15837 [2,0,0,0,0,0|2,0,0]=4 36 B8R0.22 CCCC(CBr)CCC 78361 [0,1,1,0,0,0|2,0,0]=4 37 B8R1.1 CC1CC(CO)CN1 83595 [1,1,0,0,0,0|1,1,0]=4 38 B8R1.1 CC1CCC(CO)C1 72724 [1,1,0,0,0,0|1,0,0]=3 39 B8R1.1 C[C@H]1CN[C@@H](CO)C1 87742 [1,1,0,0,0,0|2,0,0]=4 40 B8R1.1 FC[C@@H]1C[C@H](F)CN1 73101 [1,1,0,0,0,0|2,0,0]=4 41 B8R1.1 OC[C@H]1C[C@H](F)CN1 73103 [1,1,0,0,0,0|2,0,0]=4 42 B8R1.1 OC[C@H]1C[C@H](F)CN1 D79543 [1,1,0,0,0,0|2,0,0]=4 43 B8R1.50 CC1CCC(C)C1N F12413 [1,1,0,0,0,0|1,0,0]=3 44 B8R1.51 CC1(C)C[C@H](O)CN1 P16596 [1,1,0,0,0,0|1,1,0]=4 45 B8R1.11 CC1CCCC1CO 72730 [1,1,0,0,0,0|1,1,0]=4 46 B8R1.11 CO[C@H]1CCC[C@H]1N P19444 [1,1,0,0,0,0|2,0,0]=4 47 B8R1.11 C[C@@H]1NCC[C@@H]1CO 73106 [1,1,0,0,0,0|1,1,0]=4 48 B8R1.11 C[C@@H]1OCC[C@@H]1CO 73087 [1,1,0,0,0,0|0,1,0]=3 49 B8R1.11 NC[C@H]1CCC[C@@H]1F 73033 [1,1,0,0,0,0|2,0,0]=4 50 B8R1.11 OC[C@H]1NCC[C@@H]1O 95527 [1,1,0,0,0,0|1,1,0]=4 51 B8R1.19 C[C@]1(O)CCC[C@@H]1N D84856 [1,1,0,0,0,0|2,0,0]=4 52 B8R1.24 CC1(C)[C@@H](N)C[C@@H]1O P14216 [0,1,0,0,1,0|1,1,0]=4 53 B8R1.24 CC1(C)[C@@H](O)C[C@H]1N P14215 [0,1,0,0,1,0|1,1,0]=4 54 B10R1.8 CC1CC(CO)CC(C)N1 P18952 [0,1,0,0,0,1|1,1,0]=4 55 B10R1.560 CC1(C)C[C@H](N)C(C)(C)C1 37914 [0,2,0,0,0,0|2,0,0]=4 56 B8R1.4 C[C@H]1CC(=O)CCO1 P13205 [0,0,1,1,0,0|0,1,1]=4 57 B8R1.4 C[C@H]1CCC[C@H](C)N1 P19345 [0,0,1,1,0,0|2,0,0]=4 58 B8R1.4 C[C@H]1CCC[C@H](C)N1 P20082 [0,0,1,1,0,0|2,0,0]=4 59 B8R1.4 C[C@H]1COC[C@H](C)N1 F18925 [0,0,1,1,0,0|1,1,0]=4 60 B8R1.4 C[C@H]1C[C@@H](O)CCN1 38753 [0,0,1,1,0,0|1,1,0]=4 61 B8R1.4 C[C@H]1C[C@@H](O)CCN1 38754 [0,0,1,1,0,0|1,1,0]=4 62 B8R1.4 NC1CCCC(F)C1 D96615 [0,0,1,1,0,0|2,0,0]=4 63 B8R1.4 NN1CCC[C@H](O)C1 Y14768 [0,0,1,1,0,0|2,0,0]=4 64 B8R1.4 N[C@@H]1CCC[C@H](O)C1 AT10758 [0,0,1,1,0,0|1,0,0]=3 65 B8R1.4 N[C@@H]1CCC[C@H](O)C1 D77153 [0,0,1,1,0,0|1,0,0]=3 66 B8R1.4 N[C@H]1CCC[C@H](N)C1 P15793 [0,0,1,1,0,0|2,0,0]=4 67 B8R1.4 N[C@H]1CCC[C@H](O)C1 C73496 [0,0,1,1,0,0|1,0,0]=3 68 B8R1.4 O[C@@H]1CNC[C@@H](O)C1 P19870 [0,0,1,1,0,0|1,1,0]=4 69 B8R1.4 O[C@@H]1CNC[C@H](O)C1 C77406 [0,0,1,1,0,0|1,1,0]=4 70 B8R1.53 CC1(C)C[C@H](CN)O1 CS2412 [0,0,1,1,0,0|1,0,0]=3 71 B8R1.53 CC1(O)CC(CN)C1 P18525 [0,0,1,1,0,0|2,0,0]=4 72 B8R1.53 C[C@]1(O)C[C@@H](CN)C1 P13515 [0,0,1,1,0,0|2,0,0]=4 73 B8R1.53 C[C@]1(O)C[C@H](CN)C1 P18526 [0,0,1,1,0,0|2,0,0]=4 74 B8R1.5 C[C@@H]1CCNC[C@@H]1O 72843 [0,0,1,1,0,0|2,0,0]=4 75 B8R1.5 C[C@H]1CCCC[C@@H]1N P20880 [0,0,1,1,0,0|2,0,0]=4 76 B8R1.5 C[C@H]1CCCC[C@@H]1N P20881 [0,0,1,1,0,0|2,0,0]=4 77 B8R1.5 C[C@H]1CNCC[C@@H]1O P21141 [0,0,1,1,0,0|2,0,0]=4 78 B8R1.5 C[C@H]1NCCC[C@@H]1O D96985 [0,0,1,1,0,0|1,1,0]=4 79 B8R1.5 C[C@H]1NCCC[C@@H]1O D96986 [0,0,1,1,0,0|1,1,0]=4 80 B8R1.5 N[C@@H]1CCCC[C@@H]1F P20115 [0,0,1,1,0,0|2,0,0]=4 81 B8R1.5 N[C@@H]1CCCC[C@@H]1F P20239 [0,0,1,1,0,0|2,0,0]=4 82 B8R1.5 N[C@@H]1CCOC[C@@H]1O 38663 [0,0,1,1,0,0|2,0,0]=4 83 B8R1.5 N[C@@H]1CCOC[C@@H]1O P15155 [0,0,1,1,0,0|2,0,0]=4 84 B8R1.5 N[C@@H]1COCC[C@@H]1O P16446 [0,0,1,1,0,0|2,0,0]=4 85 B8R1.5 N[C@@H]1COCC[C@@H]1O P21118 [0,0,1,1,0,0|2,0,0]=4 86 B8R1.5 N[C@@H]1COCC[C@@H]1O P21119 [0,0,1,1,0,0|2,0,0]=4 87 B8R1.5 O[C@@H]1CCNC[C@@H]1F 73030 [0,0,1,1,0,0|2,0,0]=4 88 B8R1.5 O[C@@H]1CCOC[C@@H]1F P16658 [0,0,1,1,0,0|2,0,0]=4 89 B8R1.5 O[C@@H]1CNCC[C@@H]1F P15157 [0,0,1,1,0,0|2,0,0]=4 90 B8R1.5 O[C@@H]1CNCC[C@@H]1F P15750 [0,0,1,1,0,0|2,0,0]=4 91 B8R1.5 O[C@H]1CCNC[C@@H]1F 73096 [0,0,1,1,0,0|2,0,0]=4 92 B8R1.5 O[C@H]1CCOC[C@@H]1F P17909 [0,0,1,1,0,0|2,0,0]=4 93 B8R1.8 CCC[C@H]1CCCN1 D85246 [0,0,1,1,0,0|2,0,0]=4 94 B8R1.22 C[C@H]1CCOCCN1 C90344 [0,0,1,1,0,0|1,1,0]=4 95 B8R2.7 NC12CCC(C1)C2 P20285 [1,0,0,1,0,0|2,0,0]=4 96 B8R2.34 C1C[C@H]2CN[C@@H]1C2 D73534 [1,0,0,1,0,0|2,0,0]=4 97 B8R2.38 NC1CCC2CC12 F30521 [1,0,0,1,0,0|2,0,0]=4 98 B8R2.38 O[C@H]1CC[C@@H]2C[C@H]12 D96571 [1,0,0,1,0,0|1,1,0]=4 99 B10R2.71 F[C@H]1C[C@@H]2CC[C@H](C1)N2 P15491 [0,0,0,1,0,1|2,0,0]=4 100 B10R2.71 NC1CC2CCC(C1)C2 37863 [0,0,0,1,0,1|2,0,0]=4 101 B10R2.71 NC1CC2CCC(C1)O2 P13959 [0,0,0,1,0,1|1,0,0]=3 102 B10R2.71 NC1CC2CCC(C1)O2 P14620 [0,0,0,1,0,1|1,0,0]=3 103 B10R2.71 NC1C[C@@H]2CC[C@H](C1)O2 D78830 [0,0,0,1,0,1|1,0,0]=3 104 B10R2.71 OC1CC2CCC(C1)O2 P10814 [0,0,0,1,0,1|0,1,0]=3 105 B6R1.4 C[C@@H]1NC[C@@H]1F AT24721 [1,0,0,0,1,0|2,0,0]=4 106 B6R1.4 C[C@@H]1NC[C@@H]1O P18431 [1,0,0,0,1,0|1,1,0]=4 107 B6R1.4 C[C@@H]1NC[C@@H]1O P18432 [1,0,0,0,1,0|1,1,0]=4 108 B6R1.4 C[C@@H]1NC[C@@H]1O P18433 [1,0,0,0,1,0|1,1,0]=4 109 B6R1.4 N[C@H]1CC[C@@H]1O D72719 [1,0,0,0,1,0|2,0,0]=4 110 B6R1.4 N[C@H]1CC[C@@H]1O P20951 [1,0,0,0,1,0|2,0,0]=4 111 B6R1.4 N[C@H]1CC[C@@H]1O P20952 [1,0,0,0,1,0|2,0,0]=4 112 B6R1.4 O[C@H]1CC[C@H]1O AT10951 [1,0,0,0,1,0|2,0,0]=4 113 B6R1.5 CC1CC(O)C1 P19103 [1,0,0,0,1,0|0,1,0]=3 114 B6R1.5 C[C@H]1C[C@H](C)N1 D79632 [1,0,0,0,1,0|1,0,0]=3 115 B6R1.5 C[C@H]1C[C@H](C)N1 D84904 [1,0,0,0,1,0|1,0,0]=3 116 B6R1.5 N[C@H]1C[C@H](F)C1 P16381 [1,0,0,0,1,0|2,0,0]=4 117 B6R1.5 N[C@H]1C[C@H](N)C1 38581 [1,0,0,0,1,0|2,0,0]=4 118 B6R1.5 O[C@H]1C[C@H](O)C1 P20297 [1,0,0,0,1,0|1,1,0]=4 119 B8R1.3 C[C@@H]1CC[C@H](O)CN1 73248 [1,0,0,0,0,1|1,1,0]=4 120 B8R1.3 C[C@H]1CN[C@@H](C)CN1 AT16264 [1,0,0,0,0,1|2,0,0]=4 121 B8R1.3 C[C@H]1CO[C@@H](C)CN1 C73501 [1,0,0,0,0,1|1,0,0]=3