0 B9R0.23 C=C(C)C[C@H](N)C(=O)OC D80920 [0,0,0,0,0,0|1,0,2]=3 1 B9R0.23 CC(C)C[C@H](N)C(=O)CCl FD21939 [0,0,0,0,0,0|3,0,0]=3 2 B9R0.23 CCC(=O)[C@@H](C)CN(C)C 35938 [0,0,0,0,0,0|3,0,0]=3 3 B9R0.23 COC(=O)C(=O)CC(C)=O S11875 [0,0,0,0,0,0|1,0,3]=4 4 B9R0.23 COC(=O)[C@@H](N)CC(=O)O 78253 [0,0,0,0,0,0|3,0,1]=4 5 B9R0.23 COC(=O)[C@@H](N)CC(=O)O AT23254 [0,0,0,0,0,0|3,0,1]=4 6 B9R0.23 COC(=O)[C@@H](N)CC(=O)O C10287 [0,0,0,0,0,0|3,0,1]=4 7 B9R0.23 COC(=O)[C@@H](N)CC(=O)O F15183 [0,0,0,0,0,0|3,0,1]=4 8 B9R0.23 COC(=O)[C@@H](N)CC(C)C FD21898 [0,0,0,0,0,0|1,0,0]=1 9 B9R0.23 COC(=O)[C@@H](N)CC(C)C FD3053 [0,0,0,0,0,0|1,0,0]=1 10 B9R0.23 COC(=O)[C@@H](N)CC(N)=O 66084 [0,0,0,0,0,0|3,0,1]=4 11 B9R0.23 COC(=O)[C@@H](N)CC(N)=O 66085 [0,0,0,0,0,0|3,0,1]=4 12 B9R0.23 COC(=O)[C@@H](O)CC(C)C D80572 [0,0,0,0,0,0|0,0,0]=0 13 B9R0.23 COC(=O)[C@H](C)NC(C)=O 70814 [0,0,0,0,0,0|3,0,1]=4 14 B9R0.23 COC(=O)[C@H](C)NC(C)=O FD21103 [0,0,0,0,0,0|3,0,1]=4 15 B9R0.23 COC(=O)[C@H](C)NC(C)=O FD21104 [0,0,0,0,0,0|3,0,1]=4 16 B9R0.23 CON(C)C(=O)CC(C)C 71935 [0,0,0,0,0,0|2,0,2]=4 17 B8R0.3 CCC[C@H](C)C(=O)OC D92993 [1,0,0,0,0,0|1,0,0]=2 18 B8R0.3 CCC[C@H](N)C(=O)OC 64049 [1,0,0,0,0,0|1,0,0]=2 19 B8R0.3 CCC[C@H](N)C(=O)OC D83467 [1,0,0,0,0,0|1,0,0]=2 20 B8R0.3 COC(=O)[C@@H](Br)CCBr 61732 [1,0,0,0,0,0|2,0,0]=3 21 B8R0.3 COC(=O)[C@@H](C)CCCl D89391 [1,0,0,0,0,0|2,0,0]=3 22 B8R0.3 COC[C@H](Br)C(=O)OC A10668 [1,0,0,0,0,0|2,0,0]=3 23 B8R0.9 CC(C)CNC(=O)CCl F20035 [1,0,0,0,0,0|3,0,0]=4 24 B8R0.9 CCC(=O)NCC(C)C AC2518 [1,0,0,0,0,0|2,0,0]=3 25 B8R0.9 COC(=O)CCC(=O)Cl S11982 [1,0,0,0,0,0|2,0,1]=4 26 B8R0.9 COC(=O)CCC(=O)O 73736 [1,0,0,0,0,0|2,0,1]=4 27 B8R0.9 COC(=O)CCC(C)=O H11992 [1,0,0,0,0,0|1,0,1]=3 28 B8R0.9 COC(=O)CCC(N)=O D92260 [1,0,0,0,0,0|2,0,1]=4 29 B8R0.9 COC(=O)CCN(C)C 32618 [1,0,0,0,0,0|1,0,0]=2 30 B8R0.9 COC(=O)CC[S@](=O)[O-] F16696 [1,0,0,0,0,0|3,0,0]=4 31 B8R0.23 CC(=O)C(=O)CC(C)C D84272 [1,0,0,0,0,0|0,0,2]=3 32 B8R0.23 CC(=O)C[C@H](C)C(=O)O P10084 [1,0,0,0,0,0|2,0,1]=4 33 B8R0.23 CC(C)CC(=O)C(=O)O D82408 [1,0,0,0,0,0|0,0,2]=3 34 B8R0.23 CC(C)CC(=O)C(=O)[O-] F10915 [1,0,0,0,0,0|0,0,3]=4 35 B8R0.23 CC(C)C[C@H](Br)C(=O)O 36197 [1,0,0,0,0,0|1,0,0]=2 36 B8R0.23 CC(C)C[C@H](Br)C(=O)O C74469 [1,0,0,0,0,0|1,0,0]=2 37 B8R0.23 CC(C)C[C@H](N)C(=O)O 29890 [1,0,0,0,0,0|1,0,0]=2 38 B8R0.23 CC(C)C[C@H](N)C(=O)O AC7886 [1,0,0,0,0,0|1,0,0]=2 39 B8R0.23 CC(C)C[C@H](N)C(N)=O 20044 [1,0,0,0,0,0|2,0,0]=3 40 B8R0.23 CC(C)C[C@H](N)C(N)=O FD21869 [1,0,0,0,0,0|2,0,0]=3 41 B8R0.23 CC(C)C[C@H](N)C(N)=O FD21910 [1,0,0,0,0,0|2,0,0]=3 42 B8R0.23 CC(C)C[C@H](N)C(N)=O FD3059 [1,0,0,0,0,0|2,0,0]=3 43 B8R0.23 CC(C)C[C@H](O)C(=O)O D87748 [1,0,0,0,0,0|0,0,0]=1 44 B8R0.23 CC(C)C[C@H](O)C(=O)O F14883 [1,0,0,0,0,0|0,0,0]=1 45 B8R0.23 CC(C)C[C@H](O)C(=O)O S10037 [1,0,0,0,0,0|0,0,0]=1 46 B8R0.23 CC(C)NC(=O)C(=O)O AC5819 [1,0,0,0,0,0|1,0,2]=4 47 B8R0.23 CS(=O)C[C@H](N)C(=O)O D87103 [1,0,0,0,0,0|3,0,0]=4 48 B8R0.23 C\C(=C/C(C)C)C(=O)O D83819 [1,0,0,0,0,0|1,0,2]=4 49 B8R0.23 O=C(O)C[C@H](O)C(=O)O 29313 [1,0,0,0,0,0|2,0,1]=4 50 B8R0.23 O=C(O)C[C@H](O)C(=O)O 68744 [1,0,0,0,0,0|2,0,1]=4 51 B10R0.32 CCOC(=O)[C@@H](N)CC(C)C 39402 [0,1,0,0,0,0|1,0,0]=2 52 B10R0.32 CCOC(=O)[C@@H](O)CC(C)C 61990 [0,1,0,0,0,0|0,0,0]=1 53 B10R0.46 COC(=O)C[C@H](C)C(=O)OC 70020 [0,1,0,0,0,0|2,0,1]=4 54 B10R0.46 COC(=O)C[C@H](N)C(=O)OC 20564 [0,1,0,0,0,0|2,0,1]=4 55 B10R0.46 COC(=O)C[C@H](N)C(=O)OC 39370 [0,1,0,0,0,0|2,0,1]=4 56 B10R0.46 COC(=O)C[C@H](N)C(=O)OC W13852 [0,1,0,0,0,0|2,0,1]=4 57 B10R0.46 COC(=O)C[C@H](O)C(=O)OC D91488 [0,1,0,0,0,0|1,0,1]=3 58 B10R0.46 COC(=O)C[C@H](O)C(=O)OC O10223 [0,1,0,0,0,0|1,0,1]=3 59 B10R0.54 CC[C@H](NC(C)C)C(=O)OC SC5064 [0,1,0,0,0,0|2,0,0]=3 60 B10R1.14 COC(=O)C1CCC(N)C1 31701 [0,0,0,1,0,0|2,0,0]=3 61 B10R1.14 COC(=O)[C@@H]1CC[C@H](N)C1 P15683 [0,0,0,1,0,0|2,0,0]=3 62 B10R1.14 COC(=O)[C@@H]1C[C@@H](O)CN1 21005 [0,0,0,1,0,0|2,0,0]=3 63 B10R1.14 COC(=O)[C@@H]1C[C@@H](O)CN1 28347 [0,0,0,1,0,0|2,0,0]=3 64 B10R1.14 COC(=O)[C@@H]1C[C@H](O)CN1 23840 [0,0,0,1,0,0|2,0,0]=3 65 B10R1.14 COC(=O)[C@@H]1C[C@H](O)CN1 62580 [0,0,0,1,0,0|2,0,0]=3 66 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 80143 [0,0,0,1,0,0|2,0,1]=4 67 B10R1.184 COC(=O)[C@@H](N)CC1CC1 D80594 [0,0,0,1,0,0|1,0,0]=2 68 B10R1.413 COC(=O)C1CC(F)(F)C1 37216 [0,0,0,1,0,0|3,0,0]=4 69 B10R1.424 COC(=O)C1(C)CC(=O)C1 38887 [0,0,0,1,0,0|2,0,1]=4 70 B10R1.424 COC(=O)C1(C)CC(O)C1 P13532 [0,0,0,1,0,0|2,0,0]=3 71 B10R1.427 COC(=O)[C@@]1(C)CC1(Cl)Cl W16166 [0,0,0,1,0,0|3,0,0]=4 72 B8R0.2 COC(=O)[C@@H](C)C(C)=O AB7549 [0,0,0,0,1,0|2,0,1]=4 73 B8R0.2 COC(=O)[C@@H](Cl)C(C)=O 29073 [0,0,0,0,1,0|2,0,1]=4 74 B8R0.2 COC(=O)[C@@H](N)C(C)C 28580 [0,0,0,0,1,0|1,0,0]=2 75 B8R0.2 COC(=O)[C@@H](N)C(C)C A11398 [0,0,0,0,1,0|1,0,0]=2 76 B8R0.2 COC(=O)[C@@H](N)C(C)C I10617 [0,0,0,0,1,0|1,0,0]=2 77 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O 73270 [0,0,0,0,1,0|2,0,0]=3 78 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O F11506 [0,0,0,0,1,0|2,0,0]=3 79 B8R0.2 COC(=O)[C@@H](N)[C@H](C)O C76545 [0,0,0,0,1,0|2,0,0]=3 80 B8R0.2 COC(=O)[C@@H](N)[C@H](C)O F14482 [0,0,0,0,1,0|2,0,0]=3 81 B10R0.44 COC(=O)CC(=O)CC(C)C S11515 [0,0,0,0,0,1|0,0,2]=3 82 B7R0.3 CCCCC(=O)CC D90783 [2,0,0,0,0,0|1,0,0]=3 83 B7R0.3 CCCCC(=O)NN 74164 [2,0,0,0,0,0|2,0,0]=4 84 B7R0.3 CCCOC(=O)OC D83836 [2,0,0,0,0,0|1,0,0]=3 85 B7R0.3 CC\C=C\C(=O)OC S12000 [2,0,0,0,0,0|0,0,2]=4 86 B7R0.3 CNCCC(=O)NC 30723 [2,0,0,0,0,0|2,0,0]=4 87 B7R0.3 CNCCC(=O)OC 32388 [2,0,0,0,0,0|1,0,0]=3 88 B7R0.3 COC(=O)CCC#N 82641 [2,0,0,0,0,0|1,0,1]=4 89 B7R0.3 COC(=O)CCC=O 63110 [2,0,0,0,0,0|1,0,1]=4 90 B7R0.3 COC(=O)CCCBr S11981 [2,0,0,0,0,0|1,0,0]=3 91 B7R0.3 COC(=O)CCCCl 28856 [2,0,0,0,0,0|1,0,0]=3 92 B7R0.3 COC(=O)CCCN 64233 [2,0,0,0,0,0|1,0,0]=3 93 B7R0.5 CCC[C@H](C)C(=O)O D78086 [2,0,0,0,0,0|1,0,0]=3 94 B7R0.5 CCC[C@H](N)C(=O)O 27282 [2,0,0,0,0,0|1,0,0]=3 95 B7R0.5 CCC[C@H](N)C(=O)O 73286 [2,0,0,0,0,0|1,0,0]=3 96 B7R0.5 CCC[C@H](N)C(=O)O D70899 [2,0,0,0,0,0|1,0,0]=3 97 B7R0.5 COC[C@H](N)C(=O)O 23000 [2,0,0,0,0,0|2,0,0]=4 98 B7R0.5 COC[C@H](N)C(=O)O 23621 [2,0,0,0,0,0|2,0,0]=4 99 B7R0.5 COC[C@H](N)C(=O)O 25149 [2,0,0,0,0,0|2,0,0]=4 100 B7R0.5 COC[C@H](N)C(=O)O 52228 [2,0,0,0,0,0|2,0,0]=4 101 B7R0.5 COC[C@H](N)C(=O)O F10843 [2,0,0,0,0,0|2,0,0]=4 102 B7R0.5 CSC[C@H](N)C(=O)O FD21238 [2,0,0,0,0,0|2,0,0]=4 103 B7R0.5 NCC[C@H](N)C(=O)O 71083 [2,0,0,0,0,0|2,0,0]=4 104 B7R0.5 NCC[C@H](N)C(=O)O FD1067 [2,0,0,0,0,0|2,0,0]=4 105 B7R0.5 NCC[C@H](N)C(=O)O FD1073 [2,0,0,0,0,0|2,0,0]=4 106 B7R0.5 NCC[C@H](O)C(=O)O 28622 [2,0,0,0,0,0|1,0,0]=3 107 B7R0.5 NCC[C@H](O)C(=O)O O11154 [2,0,0,0,0,0|1,0,0]=3 108 B7R0.5 N[C@@H](CCBr)C(=O)O FD1268 [2,0,0,0,0,0|2,0,0]=4 109 B7R0.5 N[C@@H](CCO)C(=O)O 27335 [2,0,0,0,0,0|2,0,0]=4 110 B7R0.5 N[C@@H](CCO)C(=O)O FD1121 [2,0,0,0,0,0|2,0,0]=4 111 B7R0.5 N[C@@H](CCO)C(=O)O FD1124 [2,0,0,0,0,0|2,0,0]=4 112 B7R0.7 CCCC(O)CCC H10221 [2,0,0,0,0,0|1,0,1]=4 113 B7R0.7 COCC(O)COC 20633 [2,0,0,0,0,0|1,0,1]=4 114 B7R0.10 CCC(=O)C(=O)OC F16310 [2,0,0,0,0,0|0,0,2]=4 115 B7R0.10 CCC(=O)[C@@H](O)CC D92050 [2,0,0,0,0,0|1,0,0]=3 116 B7R0.10 CC[C@H](Br)C(=O)OC H11989 [2,0,0,0,0,0|1,0,0]=3 117 B7R0.10 CC[C@H](N)C(=O)OC 63264 [2,0,0,0,0,0|1,0,0]=3 118 B7R0.10 CC[C@H](N)C(=O)OC F11947 [2,0,0,0,0,0|1,0,0]=3 119 B7R0.10 CC[C@H](N)C(=O)OC H10859 [2,0,0,0,0,0|1,0,0]=3 120 B7R0.10 CC[C@H](O)C(=O)OC D94650 [2,0,0,0,0,0|0,0,0]=2 121 B7R0.10 CN[C@@H](C)C(=O)OC D84599 [2,0,0,0,0,0|2,0,0]=4 122 B7R0.10 CN[C@@H](C)C(=O)OC FD21060 [2,0,0,0,0,0|2,0,0]=4 123 B7R0.10 COC(=O)[C@@H](Br)CBr AB2902 [2,0,0,0,0,0|2,0,0]=4 124 B7R0.10 COC(=O)[C@@H](Br)CO D84458 [2,0,0,0,0,0|2,0,0]=4 125 B7R0.10 COC(=O)[C@@H](C)CBr D70325 [2,0,0,0,0,0|2,0,0]=4 126 B7R0.10 COC(=O)[C@@H](C)CN E72583 [2,0,0,0,0,0|2,0,0]=4 127 B7R0.10 COC(=O)[C@@H](C)CO F12962 [2,0,0,0,0,0|2,0,0]=4 128 B7R0.10 COC(=O)[C@@H](C)CO TD8064 [2,0,0,0,0,0|2,0,0]=4 129 B7R0.10 COC(=O)[C@@H](F)CO 36756 [2,0,0,0,0,0|2,0,0]=4 130 B7R0.10 COC(=O)[C@@H](N)CCl FD3091 [2,0,0,0,0,0|2,0,0]=4 131 B7R0.10 COC(=O)[C@@H](N)CCl O11861 [2,0,0,0,0,0|2,0,0]=4 132 B7R0.10 COC(=O)[C@@H](N)CN D83300 [2,0,0,0,0,0|2,0,0]=4 133 B7R0.10 COC(=O)[C@@H](N)CO 20054 [2,0,0,0,0,0|2,0,0]=4 134 B7R0.10 COC(=O)[C@@H](N)CO 20056 [2,0,0,0,0,0|2,0,0]=4 135 B7R0.10 COC(=O)[C@@H](N)CO 39397 [2,0,0,0,0,0|2,0,0]=4 136 B7R0.10 COC(=O)[C@@H](N)CO AB7436 [2,0,0,0,0,0|2,0,0]=4 137 B7R0.10 COC(=O)[C@@H](N)CS 27842 [2,0,0,0,0,0|2,0,0]=4 138 B7R0.10 COC(=O)[C@@H](N)CS FD21234 [2,0,0,0,0,0|2,0,0]=4 139 B7R0.10 COC(=O)[C@@H](N)CS H10905 [2,0,0,0,0,0|2,0,0]=4 140 B7R0.10 COC(=O)[C@@H](O)CO 24991 [2,0,0,0,0,0|1,0,0]=3 141 B7R0.10 COC(=O)[C@H](C)OC AT18834 [2,0,0,0,0,0|2,0,0]=4 142 B7R0.2 CC(C)C[C@H](N)CO 34445 [2,0,0,0,0,0|1,0,1]=4 143 B7R0.2 CC(C)C[C@H](N)CO 39403 [2,0,0,0,0,0|1,0,1]=4 144 B7R0.2 CC(C)C[C@H](N)CO A10467 [2,0,0,0,0,0|1,0,1]=4 145 B7R0.2 CN(C)C[C@H](O)CO O10883 [2,0,0,0,0,0|1,0,1]=4 146 B7R0.2 COC(=O)CC(C)C 79108 [2,0,0,0,0,0|0,0,2]=4 147 B7R0.6 C=C(C)CCC(=O)O 80208 [2,0,0,0,0,0|0,0,2]=4 148 B7R0.6 CC(=O)CCC(=O)O D70802 [2,0,0,0,0,0|1,0,1]=4 149 B7R0.6 CC(=O)CCC(C)=O D71099 [2,0,0,0,0,0|1,0,1]=4 150 B7R0.6 CC(=O)CCN(C)C D82201 [2,0,0,0,0,0|1,0,0]=3 151 B7R0.6 CC(C)CCB(O)O D70604 [2,0,0,0,0,0|1,0,1]=4 152 B7R0.6 CC(C)CCC(=O)O 28835 [2,0,0,0,0,0|0,0,0]=2 153 B7R0.6 CC(C)CC[C@H](C)O D91520 [2,0,0,0,0,0|0,0,2]=4 154 B7R0.6 CC(C)\C=C\C(=O)O D91297 [2,0,0,0,0,0|0,0,2]=4 155 B7R0.6 CN(C)CCC(=O)O 30383 [2,0,0,0,0,0|1,0,0]=3 156 B7R0.6 CN(C)CCC(=O)O 35949 [2,0,0,0,0,0|1,0,0]=3 157 B7R0.6 C[S+](C)CCC(=O)O 74954 [2,0,0,0,0,0|1,0,0]=3 158 B9R0.8 CCCC[C@H](Br)C(=O)OC F20310 [1,1,0,0,0,0|1,0,0]=3 159 B9R0.8 CCCC[C@H](N)C(=O)OC 23107 [1,1,0,0,0,0|1,0,0]=3 160 B9R0.8 CCCC[C@H](N)C(=O)OC O10226 [1,1,0,0,0,0|1,0,0]=3 161 B9R0.8 COC(=O)[C@@H](Br)CCCBr O11857 [1,1,0,0,0,0|1,0,0]=3 162 B9R0.8 COC(=O)[C@@H](N)CCCN I10675 [1,1,0,0,0,0|1,0,0]=3 163 B9R0.8 COC(=O)[C@@H](N)CCSC F10799 [1,1,0,0,0,0|1,0,0]=3 164 B9R0.8 COC(=O)[C@@H](N)CCSC F10996 [1,1,0,0,0,0|1,0,0]=3 165 B9R0.27 CCC(=O)[C@H](C)C(=O)OC 20588 [1,1,0,0,0,0|1,0,1]=4 166 B9R0.27 CCC(=O)[C@H](F)C(=O)OC O11876 [1,1,0,0,0,0|1,0,1]=4 167 B9R0.27 CC[C@H](C)[C@H](N)C(=O)OC FD21803 [1,1,0,0,0,0|1,0,0]=3 168 B9R0.35 CCCC(=O)C(=O)OCC 34423 [1,1,0,0,0,0|0,0,2]=4 169 B9R0.35 CCCC(=O)[C@@H](O)CCC D88723 [1,1,0,0,0,0|1,0,0]=3 170 B9R0.35 CCC[C@H](Br)C(=O)OCC H11305 [1,1,0,0,0,0|1,0,0]=3 171 B9R0.35 CCC[C@H](N)C(=O)OCC 64698 [1,1,0,0,0,0|1,0,0]=3 172 B9R0.35 CCC[C@H](O)C(=O)OCC D90546 [1,1,0,0,0,0|0,0,0]=2 173 B9R0.35 CCOC(=O)[C@@H](Br)CCBr AB1432 [1,1,0,0,0,0|2,0,0]=4 174 B9R0.35 CCOC(=O)[C@H](Cl)OCC F20949 [1,1,0,0,0,0|2,0,0]=4 175 B9R0.21 COC(=O)CCC(Cl)(Cl)Cl AC2431 [1,1,0,0,0,0|2,0,0]=4 176 B9R0.24 CCC(=O)CCC(=O)OC D92982 [1,1,0,0,0,0|1,0,1]=4 177 B9R0.24 COC(=O)CCC(=O)CN A11122 [1,1,0,0,0,0|1,0,1]=4 178 B9R0.42 CCC(=O)O[C@@H](Cl)C(C)C 25803 [1,1,0,0,0,0|2,0,0]=4 179 B9R0.42 COC(=O)CC(=O)C(C)C AC7507 [1,1,0,0,0,0|0,0,1]=3 180 B9R0.42 COC(=O)CC(=O)[C@H](C)Br F15137 [1,1,0,0,0,0|1,0,1]=4 181 B9R0.42 COC(=O)C[C@H](N)C(C)C 75003 [1,1,0,0,0,0|0,0,0]=2 182 B9R0.42 COC(=O)C[C@H](N)C(C)C 75004 [1,1,0,0,0,0|0,0,0]=2 183 B9R0.48 CCOC(=O)CCC(C)=O D77713 [1,1,0,0,0,0|1,0,1]=4 184 B9R0.48 CCOC(=O)CCC(C)C D81903 [1,1,0,0,0,0|0,0,0]=2 185 B9R0.39 CN[C@@H](CC(C)C)C(=O)O 32589 [1,1,0,0,0,0|1,0,0]=3 186 B9R0.39 CN[C@@H](CC(C)C)C(=O)O F11181 [1,1,0,0,0,0|1,0,0]=3 187 B9R0.39 CN[C@@H](CC(C)C)C(=O)O FD21865 [1,1,0,0,0,0|1,0,0]=3 188 B9R0.57 CC(C)(C)C[C@H](N)C(=O)O 51153 [1,1,0,0,0,0|1,0,0]=3 189 B9R0.57 CC(C)(C)C[C@H](N)C(=O)O 51154 [1,1,0,0,0,0|1,0,0]=3 190 B9R0.79 CC(O)[C@H](C)[C@H](N)C(=O)O D97437 [1,1,0,0,0,0|2,0,0]=4 191 B9R0.25 CNC(=O)[C@@H](N)C(C)(C)C F12359 [0,1,0,0,1,0|2,0,0]=4 192 B9R0.25 COC(=O)[C@@H](N)C(C)(C)C 33261 [0,1,0,0,1,0|1,0,0]=3 193 B9R0.25 COC(=O)[C@@H](N)C(C)(C)C F11538 [0,1,0,0,1,0|1,0,0]=3 194 B9R0.29 COC(=O)[C@@H](OC)C(C)=O I11234 [0,1,0,0,1,0|1,0,1]=4 195 B11R0.1 CCOC(=O)CC(=O)CC(C)C AB1436 [0,1,0,0,0,1|0,0,2]=4 196 B11R0.110 COC(=O)CC(O)CC(=O)OC AB7051 [0,1,0,0,0,1|1,0,1]=4 197 B11R0.290 COC(=O)[C@@H](N)COC(C)(C)C C10289 [0,1,0,0,0,1|1,0,0]=3 198 B11R0.290 COC(=O)[C@@H](N)COC(C)(C)C F10559 [0,1,0,0,0,1|1,0,0]=3 199 B11R0.186 CCOC(=O)[C@@H](N)CC(C)(C)F F16462 [0,2,0,0,0,0|1,0,0]=3 200 B11R0.64 COC(=O)[C@@H](Cl)C(=O)C(C)(C)C 30257 [0,2,0,0,0,0|1,0,1]=4 201 B11R0.66 COC(=O)[C@@H](O)[C@H](O)C(=O)OC D70237 [0,2,0,0,0,0|1,0,1]=4 202 B11R0.66 COC(=O)[C@@H](O)[C@H](O)C(=O)OC F20334 [0,2,0,0,0,0|1,0,1]=4 203 B9R1.5 N[C@H]1CCCCNC1=O 36347 [1,0,0,1,0,0|2,0,0]=4 204 B9R1.5 N[C@H]1CCCCNC1=O 52018 [1,0,0,1,0,0|2,0,0]=4 205 B9R1.5 N[C@H]1CCCCNC1=O A56019 [1,0,0,1,0,0|2,0,0]=4 206 B9R1.5 N[C@H]1CCCCNC1=O A56021 [1,0,0,1,0,0|2,0,0]=4 207 B9R1.5 N[C@H]1CCCCNC1=O Y10023 [1,0,0,1,0,0|2,0,0]=4 208 B9R1.11 COC(=O)C1=CCCC1 23248 [1,0,0,1,0,0|1,0,1]=4 209 B9R1.11 COC(=O)C1CCCC1 71026 [1,0,0,1,0,0|1,0,0]=3 210 B9R1.11 COC(=O)[C@@H]1CCCN1 35748 [1,0,0,1,0,0|1,0,0]=3 211 B9R1.11 COC(=O)[C@@H]1CCCN1 F10761 [1,0,0,1,0,0|1,0,0]=3 212 B9R1.11 COC(=O)[C@@H]1CCCN1 F10972 [1,0,0,1,0,0|1,0,0]=3 213 B9R1.11 COC(=O)[C@@H]1CCCO1 D94760 [1,0,0,1,0,0|0,0,0]=2 214 B9R1.11 COC(=O)[C@H]1CCNC1 30340 [1,0,0,1,0,0|2,0,0]=4 215 B9R1.11 COC(=O)[C@H]1CCNC1 63827 [1,0,0,1,0,0|2,0,0]=4 216 B9R1.11 COC(=O)[C@H]1CCNC1 63831 [1,0,0,1,0,0|2,0,0]=4 217 B9R1.11 COC(=O)[C@H]1CCOC1 37312 [1,0,0,1,0,0|2,0,0]=4 218 B9R1.82 COC(=O)C1CC(Cl)C1 38985 [1,0,0,1,0,0|2,0,0]=4 219 B9R1.82 COC(=O)C1CC(I)C1 P19841 [1,0,0,1,0,0|2,0,0]=4 220 B9R1.82 COC(=O)C1CC(O)C1 87718 [1,0,0,1,0,0|2,0,0]=4 221 B9R1.82 COC(=O)[C@H]1C[C@@H](N)C1 FD7143 [1,0,0,1,0,0|2,0,0]=4 222 B9R1.82 COC(=O)[C@H]1C[C@@H](O)C1 38533 [1,0,0,1,0,0|2,0,0]=4 223 B9R1.82 COC(=O)[C@H]1C[C@H](N)C1 37458 [1,0,0,1,0,0|2,0,0]=4 224 B9R1.101 COC(=O)[C@@H](N)C1CC1 F52092 [1,0,0,1,0,0|1,0,0]=3 225 B9R1.186 COC(=O)C1(Br)CCC1 72356 [1,0,0,1,0,0|1,0,0]=3 226 B9R1.186 COC(=O)C1(N)CCC1 52075 [1,0,0,1,0,0|1,0,0]=3 227 B9R1.34 CC1CC(C)CC(O)C1 D89705 [1,0,0,1,0,0|1,0,1]=4 228 B9R1.1 COC1CCC(C)CC1 D80701 [1,0,0,1,0,0|1,0,1]=4 229 B9R1.10 CC1(C)C=CC(=O)CC1 CL3492 [1,0,0,1,0,0|1,0,1]=4 230 B9R1.10 CC1(C)CCC(=O)CC1 35448 [1,0,0,1,0,0|1,0,0]=3 231 B9R1.10 CC1(C)COC(=O)OC1 F51892 [1,0,0,1,0,0|1,0,0]=3 232 B9R1.10 C[N+]1(C)CCC(=O)CC1 AB10340 [1,0,0,1,0,0|2,0,0]=4 233 B9R1.35 CC(C)[C@@H]1CNC(=O)C1 P19175 [1,0,0,1,0,0|1,0,0]=3 234 B9R1.35 CC(C)[C@@H]1COC(=O)N1 33734 [1,0,0,1,0,0|1,0,0]=3 235 B9R1.35 CC(C)[C@@H]1COC(=O)N1 TD8068 [1,0,0,1,0,0|1,0,0]=3 236 B9R1.35 CC(C)[C@@H]1COC(=O)N1 W10689 [1,0,0,1,0,0|1,0,0]=3 237 B9R1.49 CN1CCCC(=O)CC1 34283 [1,0,0,1,0,0|2,0,0]=4 238 B9R1.49 CN1CCNC(=O)CC1 64338 [1,0,0,1,0,0|2,0,0]=4 239 B9R1.112 N[C@@H](CC1CC1)C(=O)O 51300 [1,0,0,1,0,0|1,0,0]=3 240 B9R1.112 N[C@@H](CC1CC1)C(=O)O 51301 [1,0,0,1,0,0|1,0,0]=3 241 B9R1.164 CC1(O)CC(C(=O)O)C1 D79169 [1,0,0,1,0,0|2,0,0]=4 242 B11R1.22 COC(=O)C1CCC(N)CC1 AB9597 [0,0,0,1,0,1|2,0,0]=4 243 B11R1.22 COC(=O)C1CCC(O)CC1 24694 [0,0,0,1,0,1|2,0,0]=4 244 B11R1.22 COC(=O)C1CCN(C)CC1 BL000686 [0,0,0,1,0,1|2,0,0]=4 245 B11R1.22 COC(=O)[C@H]1CC[C@@H](O)CC1 37809 [0,0,0,1,0,1|2,0,0]=4 246 B11R1.22 COC(=O)[C@H]1CC[C@H](N)CC1 63486 [0,0,0,1,0,1|2,0,0]=4 247 B11R1.22 COC(=O)[C@H]1CC[C@H](N)CC1 W13338 [0,0,0,1,0,1|2,0,0]=4 248 B11R1.22 COC(=O)[C@H]1CC[C@H](O)CC1 P12760 [0,0,0,1,0,1|2,0,0]=4 249 B11R1.866 COC(=O)[C@@H]1COC(C)(C)O1 29223 [0,0,0,1,0,1|0,0,0]=2 250 B11R1.866 COC(=O)[C@@H]1COC(C)(C)O1 63310 [0,0,0,1,0,1|0,0,0]=2 251 B11R1.1361 C[C@H]1CC(C)(C)CC(=O)C1=O D71203 [0,1,0,1,0,0|2,0,0]=4 252 B11R1.15 CCOC(=O)[C@@H]1C[C@@H](F)CN1 37993 [0,1,0,1,0,0|2,0,0]=4 253 B11R1.15 CCOC(=O)[C@@H]1C[C@@H](O)CN1 FD21744 [0,1,0,1,0,0|2,0,0]=4 254 B11R1.645 CC(C)C[C@@H]1NC(=O)OC1=O FD21855 [0,1,0,1,0,0|1,0,1]=4 255 B11R1.23 COC(=O)C1CNCC(O)C1 31809 [0,1,0,1,0,0|2,0,0]=4 256 B11R1.44 COC(=O)C1CCC(CBr)C1 P19892 [0,1,0,1,0,0|1,0,0]=3 257 B11R1.221 CC1(C)COC(=O)C(C)(C)N1 86821 [0,1,0,1,0,0|2,0,0]=4 258 B11R2.914 COC(=O)C1CC2OC2C1 P12781 [0,0,0,2,0,0|2,0,0]=4 259 B7R0.16 CC(C)C(=O)C(=O)O 31009 [1,0,0,0,1,0|0,0,2]=4 260 B7R0.16 CC(C)[C@H](Br)C(=O)O A10761 [1,0,0,0,1,0|1,0,0]=3 261 B7R0.16 CC(C)[C@H](Br)C(=O)O FD1208 [1,0,0,0,1,0|1,0,0]=3 262 B7R0.16 CC(C)[C@H](N)C(=O)O AC7511 [1,0,0,0,1,0|1,0,0]=3 263 B7R0.16 CC(C)[C@H](N)C(N)=O 35750 [1,0,0,0,1,0|2,0,0]=4 264 B7R0.16 CC(C)[C@H](N)C(N)=O F14574 [1,0,0,0,1,0|2,0,0]=4 265 B7R0.16 CC(C)[C@H](O)C(=O)O C10550 [1,0,0,0,1,0|0,0,0]=2 266 B7R0.16 CC(C)[C@H](O)C(=O)O F19720 [1,0,0,0,1,0|0,0,0]=2 267 B7R0.16 CC(C)[C@H](O)C(=O)O S12088 [1,0,0,0,1,0|0,0,0]=2 268 B7R0.16 CC(O)C(N)C(=O)O 39304 [1,0,0,0,1,0|2,0,0]=4 269 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O 73726 [1,0,0,0,1,0|2,0,0]=4 270 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O AC7878 [1,0,0,0,1,0|2,0,0]=4 271 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O D95822 [1,0,0,0,1,0|2,0,0]=4 272 B7R0.16 C[C@H](O)[C@H](N)C(=O)O 20600 [1,0,0,0,1,0|2,0,0]=4 273 B7R0.16 C[C@H](O)[C@H](N)C(=O)O CX1250 [1,0,0,0,1,0|2,0,0]=4 274 B9R0.1 C=C(C)CCCC(=O)OC C74671 [1,0,0,0,0,1|0,0,2]=4 275 B9R0.1 COC(=O)CCCC(C)=O AC8283 [1,0,0,0,0,1|1,0,1]=4 276 B9R0.1 COC(=O)\C=C\CC(C)C W11675 [1,0,0,0,0,1|0,0,1]=3