0 B10R1.194 O=C(O)[C@H]1NC[C@@H](O)[C@@H]1F AT19075 [0,0,0,0,0,0|2,0,2]=4 1 B10R1.194 O=C(O)[C@H]1NC[C@@H](O)[C@H]1F AT19073 [0,0,0,0,0,0|2,0,2]=4 2 B10R1.194 O=C(O)[C@H]1NC[C@H](O)[C@@H]1F AT19071 [0,0,0,0,0,0|2,0,2]=4 3 B10R1.194 O=C(O)[C@H]1NC[C@H](O)[C@H]1F AT19052 [0,0,0,0,0,0|2,0,2]=4 4 B9R1.35 CC(=O)[C@H]1CCC(=O)C1 F53422 [1,0,0,0,0,0|1,0,0]=2 5 B9R1.35 CC(=O)[C@H]1CCC(=O)C1 F53666 [1,0,0,0,0,0|1,0,0]=2 6 B9R1.35 CC1CC(C(=O)O)CN1 AT24890 [1,0,0,0,0,0|2,0,1]=4 7 B9R1.35 CC1CCC(C(=O)O)C1 72652 [1,0,0,0,0,0|1,0,1]=3 8 B9R1.35 C[C@@H]1CC[C@@H](C(=O)O)N1 P17994 [1,0,0,0,0,0|2,0,1]=4 9 B9R1.35 C[C@@H]1C[C@H](C(=O)O)CN1 AT24897 [1,0,0,0,0,0|2,0,1]=4 10 B9R1.35 C[C@@H]1C[C@H](C(=O)O)CN1 AT24899 [1,0,0,0,0,0|2,0,1]=4 11 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)N1 AT11434 [1,0,0,0,0,0|2,0,1]=4 12 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)N1 AT24203 [1,0,0,0,0,0|2,0,1]=4 13 B9R1.35 C[C@H]1CN[C@H](C(=O)O)C1 AT21805 [1,0,0,0,0,0|2,0,1]=4 14 B9R1.35 C[C@H]1CN[C@H](C(=O)O)C1 AT21807 [1,0,0,0,0,0|2,0,1]=4 15 B9R1.35 C[C@H]1C[C@H](C(=O)O)CN1 AT24892 [1,0,0,0,0,0|2,0,1]=4 16 B9R1.35 C[C@H]1C[C@H](C(=O)O)CN1 AT24894 [1,0,0,0,0,0|2,0,1]=4 17 B9R1.35 O=C(O)C1CCC(F)C1 73187 [1,0,0,0,0,0|1,0,1]=3 18 B9R1.35 O=C(O)[C@@H]1CC(Br)=NO1 C14199 [1,0,0,0,0,0|3,0,0]=4 19 B9R1.35 O=C(O)[C@@H]1CC[C@H](F)C1 AT22252 [1,0,0,0,0,0|1,0,1]=3 20 B9R1.35 O=C(O)[C@@H]1CC[C@H](F)C1 AT22255 [1,0,0,0,0,0|1,0,1]=3 21 B9R1.35 O=C(O)[C@@H]1CC[C@H](F)C1 AT22257 [1,0,0,0,0,0|1,0,1]=3 22 B9R1.35 O=C(O)[C@H]1CC[C@H](F)C1 AT22251 [1,0,0,0,0,0|1,0,1]=3 23 B9R1.35 O=C(O)[C@H]1CC[C@H](F)C1 AT22256 [1,0,0,0,0,0|1,0,1]=3 24 B9R1.35 O=C(O)[C@H]1CC[C@H](F)C1 AT22258 [1,0,0,0,0,0|1,0,1]=3 25 B9R1.35 O=C(O)[C@H]1CC[C@H](O)C1 83546 [1,0,0,0,0,0|0,0,2]=3 26 B9R1.35 O=C1CC[C@@H](C(=O)Cl)O1 AT19707 [1,0,0,0,0,0|2,0,0]=3 27 B9R1.35 O=C1CC[C@@H](C(=O)Cl)O1 AT19708 [1,0,0,0,0,0|2,0,0]=3 28 B9R1.35 O=C1CC[C@@H](C(=O)Cl)O1 AT19709 [1,0,0,0,0,0|2,0,0]=3 29 B9R1.35 O=C1NC[C@@H](C(=O)O)O1 AT13973 [1,0,0,0,0,0|2,0,0]=3 30 B9R1.35 O=C1N[C@H](C(=O)O)CS1 AT21690 [1,0,0,0,0,0|2,0,0]=3 31 B9R1.41 CC1CCNC1C(=O)O E72830 [1,0,0,0,0,0|1,0,1]=3 32 B9R1.41 CC1CNCC1C(=O)O AT17201 [1,0,0,0,0,0|1,0,1]=3 33 B9R1.41 C[C@@H]1CNC[C@@H]1C(=O)O AT17206 [1,0,0,0,0,0|1,0,1]=3 34 B9R1.41 C[C@H]1CNC[C@@H]1C(=O)O F13022 [1,0,0,0,0,0|1,0,1]=3 35 B9R1.41 C[C@H]1NCC[C@@H]1C(=O)O P20921 [1,0,0,0,0,0|1,0,0]=2 36 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O AT13968 [1,0,0,0,0,0|1,0,1]=3 37 B9R1.41 O=C(O)C1CCCC1O AT25921 [1,0,0,0,0,0|1,0,1]=3 38 B9R1.41 O=C(O)C1NCCC1F AT19446 [1,0,0,0,0,0|2,0,1]=4 39 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F AT19444 [1,0,0,0,0,0|2,0,1]=4 40 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F AT19445 [1,0,0,0,0,0|2,0,1]=4 41 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F AT19447 [1,0,0,0,0,0|2,0,1]=4 42 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O P10890 [1,0,0,0,0,0|2,0,1]=4 43 B9R1.132 CN1C(=O)CC[C@@H]1CN F13760 [1,0,0,0,0,0|2,0,1]=4 44 B9R1.132 CN1C(=O)OC[C@@H]1CO C77407 [1,0,0,0,0,0|2,0,1]=4 45 B11R1.64 CCN1C(=O)CC[C@H]1C(=O)O AT19159 [0,1,0,0,0,0|1,0,0]=2 46 B11R1.515 CC1=C(C(=O)O)CCS1(=O)=O E73113 [0,1,0,0,0,0|1,0,2]=4 47 B9R0.1 O=C(O)CCNC(=O)CBr C70445 [0,0,1,0,0,0|2,0,0]=3 48 B9R0.13 C#CCO[C@@H](CC)C(=O)O 78584 [0,0,1,0,0,0|2,0,1]=4 49 B9R0.29 CC[C@H](C(N)=O)[C@H](C)CC 58530 [0,0,1,0,0,0|2,0,1]=4 50 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O P14828 [0,0,1,0,0,0|3,0,0]=4 51 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O C90323 [0,0,1,0,0,0|3,0,0]=4 52 B11R2.746 O=C(O)[C@@]12CC[C@H](O)[C@@H]1C2 97940 [0,0,0,1,0,0|0,0,2]=3 53 B11R1.166 C[C@@H]1CC(=O)CC[C@@H]1C(=O)O P18308 [0,0,0,0,0,1|0,0,0]=1 54 B11R1.166 C[C@@H]1C[C@H](N)CC[C@@H]1C(=O)O D96623 [0,0,0,0,0,1|1,0,1]=3 55 B11R1.166 O=C1NC[C@@H](C(=O)O)C(=O)N1 D72779 [0,0,0,0,0,1|2,0,1]=4 56 B8R0.23 O=C(O)C[C@H](S)C(=O)O I11663 [1,0,1,0,0,0|2,0,0]=4 57 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O D76826 [1,0,1,0,0,0|1,0,1]=4 58 B8R0.2 CC[C@H](C)[C@H]([15NH2])C(=O)O 41457 [1,0,1,0,0,0|1,0,1]=4 59 B8R0.2 CO[C@@H](C)[C@H](N)C(=O)O AT10680 [1,0,1,0,0,0|2,0,0]=4 60 B8R1.1 O=C1CC[C@H](CCl)C1 AT22684 [2,0,0,0,0,0|1,0,1]=4 61 B8R1.1 O=C1CC[C@H](CI)C1 AT22686 [2,0,0,0,0,0|1,0,1]=4 62 B8R1.7 O=C(O)[C@@H]1C=CCC1 E72837 [2,0,0,0,0,0|0,0,1]=3 63 B8R1.7 O=C(O)[C@@H]1CCNN1 AT21725 [2,0,0,0,0,0|2,0,0]=4 64 B8R1.7 O=C(O)[C@@H]1CCON1 D75847 [2,0,0,0,0,0|2,0,0]=4 65 B8R1.50 N[C@@H]1C(=O)NC[C@@H]1O AT23609 [2,0,0,0,0,0|2,0,0]=4 66 B8R1.50 N[C@@H]1C(=O)NC[C@@H]1O AT26183 [2,0,0,0,0,0|2,0,0]=4 67 B8R1.50 N[C@@H]1C(=O)NC[C@H]1O AT23610 [2,0,0,0,0,0|2,0,0]=4 68 B8R1.50 N[C@@H]1C(=O)NC[C@H]1O AT26184 [2,0,0,0,0,0|2,0,0]=4 69 B8R1.50 O=C1OC[C@H](O)[C@@H]1Br AC9565 [2,0,0,0,0,0|2,0,0]=4 70 B10R0.44 COC(=O)C[C@@H](N)CC(=O)O AT22241 [0,1,1,0,0,0|1,0,0]=3 71 B10R0.141 COC(=O)C(C)(C)CC(C)=O AC9822 [0,1,1,0,0,0|2,0,0]=4 72 B10R1.14 CCC(=O)[C@H]1CCC(=O)C1 F53408 [1,1,0,0,0,0|1,0,0]=3 73 B10R1.14 COC(=O)[C@@H]1CNC(=O)O1 94947 [1,1,0,0,0,0|2,0,0]=4 74 B10R1.14 COC(=O)[C@H]1CC[C@H](O)C1 AT22315 [1,1,0,0,0,0|0,0,2]=4 75 B10R1.14 COC(=O)[C@H]1CC[C@H](O)C1 P19221 [1,1,0,0,0,0|0,0,2]=4 76 B10R1.58 O=C1N[C@H](C(=O)O)C[C@@H]1F P18887 [1,1,0,0,0,0|1,0,0]=3 77 B10R1.58 O=C1N[C@H](C(=O)O)C[C@@H]1F P21046 [1,1,0,0,0,0|1,0,0]=3 78 B10R1.359 CC(=O)[C@H]1CCS(=O)(=O)C1 E72833 [1,1,0,0,0,0|2,0,0]=4 79 B10R1.359 O=C(O)[C@@H]1CCS(=O)(=O)N1 52423 [1,1,0,0,0,0|2,0,0]=4 80 B10R1.470 C[C@@]1(C(=O)O)CCC(=O)N1 AT26434 [1,1,0,0,0,0|1,0,0]=3 81 B10R1.470 N[C@@]1(C(=O)O)CC[C@@H](O)C1 91935 [1,1,0,0,0,0|0,0,2]=4 82 B10R1.470 N[C@@]1(C(=O)O)CC[C@@H](O)C1 91938 [1,1,0,0,0,0|0,0,2]=4 83 B10R1.470 N[C@@]1(C(=O)O)CC[C@H](O)C1 91936 [1,1,0,0,0,0|0,0,2]=4 84 B10R1.470 N[C@@]1(C(=O)O)CC[C@H](O)C1 91939 [1,1,0,0,0,0|0,0,2]=4 85 B10R1.128 CC1(C)CNC[C@@H]1C(=O)O C10565 [1,1,0,0,0,0|1,0,1]=4 86 B10R1.128 O=C(O)[C@H]1CCCC1(F)F AT10210 [1,1,0,0,0,0|1,0,1]=4 87 B10R1.149 COC(=O)[C@@H]1CCC[C@@H]1O C14390 [1,1,0,0,0,0|1,0,1]=4 88 B10R1.291 C[C@]1(C(=O)O)CCC[C@H]1N P12475 [1,1,0,0,0,0|1,0,1]=4 89 B10R1.83 CC1(C)C(N)CC1C(=O)O P13654 [0,1,0,0,1,0|1,0,1]=4 90 B10R1.83 CC1(C)[C@@H](N)C[C@@H]1C(=O)O P13655 [0,1,0,0,1,0|1,0,1]=4 91 B10R1.83 CC1(C)[C@@H](N)C[C@H]1C(=O)O 38976 [0,1,0,0,1,0|1,0,1]=4 92 B10R1.83 CC1(C)[C@@H](N)C[C@H]1C(=O)O P15684 [0,1,0,0,1,0|1,0,1]=4 93 B12R1.498 CC(C)N1C(=O)CC[C@H]1C(=O)O AT19161 [0,2,0,0,0,0|1,0,0]=3 94 B10R1.13 O=C1CC[C@@H](C(=O)O)NC1 55713 [0,0,1,1,0,0|1,0,0]=3 95 B10R1.13 O=C1CC[C@@H](C(=O)O)NC1 55715 [0,0,1,1,0,0|1,0,0]=3 96 B10R1.54 O=C(O)C[C@@H]1CNC(=O)C1 AC5906 [0,0,1,1,0,0|1,0,0]=3 97 B10R1.54 O=C(O)C[C@@H]1CNC(=O)C1 AT19060 [0,0,1,1,0,0|1,0,0]=3 98 B10R1.54 O=C(O)C[C@@H]1CNC(=O)C1 AT19061 [0,0,1,1,0,0|1,0,0]=3 99 B10R1.54 O=C(O)C[C@H]1CCC(=O)N1 AT18838 [0,0,1,1,0,0|1,0,0]=3 100 B10R1.61 C[C@H]1CC=CC[C@@H]1C(=O)O C90677 [0,0,1,1,0,0|1,0,1]=4 101 B10R1.348 O=C(O)[C@H]1CCCOCC1 85693 [0,0,1,1,0,0|0,0,2]=4 102 B10R1.348 O=C(O)[C@H]1CCCOCC1 85694 [0,0,1,1,0,0|0,0,2]=4 103 B10R1.477 CC[C@@]1(C(=O)O)CCCN1 AT26074 [0,0,1,1,0,0|1,0,1]=4 104 B10R1.361 NC(=O)C1CCC1C(=O)O E72885 [0,0,1,1,0,0|1,0,0]=3 105 B10R2.348 O=C(O)C12CCC(C1)C2 P20284 [1,0,0,1,0,0|1,0,1]=4 106 B10R2.32 O=C1CC[C@@H]2CCC[C@H]12 E73246 [1,0,0,1,0,0|1,0,1]=4 107 B10R2.32 O=C1NCC2CCCC12 AT20359 [1,0,0,1,0,0|1,0,1]=4 108 B10R2.344 O=C(O)C12CC1CCN2 C13461 [1,0,0,1,0,0|1,0,1]=4 109 B10R2.344 O=C(O)C12CC1CCN2 P10540 [1,0,0,1,0,0|1,0,1]=4 110 B10R2.344 O=C(O)C12CNCC1C2 P12521 [1,0,0,1,0,0|1,0,1]=4 111 B10R2.344 O=C(O)[C@]12CC1CCN2 P14128 [1,0,0,1,0,0|1,0,1]=4 112 B10R2.344 O=C(O)[C@]12CC1CCN2 P14935 [1,0,0,1,0,0|1,0,1]=4 113 B10R2.344 O=C(O)[C@]12C[C@H]1CCN2 AT21890 [1,0,0,1,0,0|1,0,1]=4 114 B12R2.1387 O=C(O)[C@H]1CC[C@@H]2CC[C@H]1N2 D73101 [0,0,0,1,0,1|1,0,1]=4 115 B12R2.1387 O=C(O)[C@H]1CC[C@@H]2CC[C@H]1N2 P13892 [0,0,0,1,0,1|1,0,1]=4 116 B12R2.1387 O=C(O)[C@H]1CC[C@@H]2CC[C@H]1N2 P19096 [0,0,0,1,0,1|1,0,1]=4 117 B12R2.1387 O=C(O)[C@H]1CC[C@H]2CC[C@@H]1N2 P18007 [0,0,0,1,0,1|1,0,1]=4 118 B12R2.2443 O=C1CC2C1CNC2C(=O)O P13746 [0,1,0,1,0,0|1,0,1]=4 119 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 37682 [1,0,0,0,1,0|1,0,1]=4 120 B8R1.23 O=C1C[C@@H](C(=O)O)O1 P17181 [1,0,0,0,1,0|1,0,0]=3 121 B8R1.31 N[C@H]1CC[C@@H]1C(=O)O P12531 [1,0,0,0,1,0|1,0,1]=4 122 B8R1.31 N[C@H]1CC[C@@H]1C(=O)O P14183 [1,0,0,0,1,0|1,0,1]=4 123 B8R1.31 N[C@H]1CC[C@H]1C(=O)O P12530 [1,0,0,0,1,0|1,0,1]=4 124 B8R1.31 N[C@H]1CC[C@H]1C(=O)O P14693 [1,0,0,0,1,0|1,0,1]=4 125 B8R1.31 O=C(O)C1CCC1O D74978 [1,0,0,0,1,0|0,0,2]=4 126 B8R1.31 O=C(O)[C@@H]1CCC1=O 54673 [1,0,0,0,1,0|0,0,0]=2 127 B8R1.31 O=C(O)[C@@H]1CNC1=O D72827 [1,0,0,0,1,0|1,0,0]=3 128 B10R1.113 CC(=O)[C@H]1CCCC(=O)C1 F53683 [1,0,0,0,0,1|1,0,0]=3 129 B10R1.113 CC(=O)[C@H]1CCNC(=O)C1 AC9648 [1,0,0,0,0,1|1,0,0]=3 130 B10R1.113 C[C@@H]1CCN[C@H](C(=O)O)C1 49325 [1,0,0,0,0,1|1,0,1]=4 131 B10R1.113 NC(=O)[C@H]1CCCC(=O)C1 D86046 [1,0,0,0,0,1|1,0,0]=3 132 B10R1.113 N[C@H]1CCC[C@H](C(=O)O)C1 P11799 [1,0,0,0,0,1|1,0,1]=4 133 B10R1.113 O=C(O)C1CC(O)CCN1 F53697 [1,0,0,0,0,1|0,0,2]=4 134 B10R1.113 O=C(O)C1CS(=O)CCN1 E72832 [1,0,0,0,0,1|1,0,0]=3 135 B10R1.113 O=C1CCN[C@H](C(=O)O)C1 AT10792 [1,0,0,0,0,1|0,0,0]=2 136 B10R1.113 O=C1CCN[C@H](C(=O)O)C1 FD7137 [1,0,0,0,0,1|0,0,0]=2 137 B10R1.113 O=C1CCO[C@H](C(=O)O)C1 AT12462 [1,0,0,0,0,1|0,0,0]=2 138 B10R1.113 O=C1COC[C@@H](C(=O)O)N1 D74843 [1,0,0,0,0,1|1,0,0]=3 139 B10R1.2 CN1C(=O)COC[C@@H]1CO 56560 [1,0,0,0,0,1|1,0,1]=4