0 B9R0.7 CC(=O)N(C)CCC(=O)O W18893 [0,0,0,0,0,0|4,0,0]=4 1 B9R0.7 CC(=O)OC[C@H](N)C(=O)O 50435 [0,0,0,0,0,0|2,0,0]=2 2 B9R0.7 CC(C)CC[C@H](N)C(=O)O 35603 [0,0,0,0,0,0|2,0,1]=3 3 B9R0.7 CC(C)CC[C@H](N)C(=O)O F11532 [0,0,0,0,0,0|2,0,1]=3 4 B9R0.7 CS(=O)CC[C@H](N)C(=O)O F10841 [0,0,0,0,0,0|2,0,0]=2 5 B9R0.7 C[C@@H](CCC(=O)O)C(=O)O T71598 [0,0,0,0,0,0|2,0,0]=2 6 B9R0.7 NC(=O)CC[C@H](N)C(=O)O 23178 [0,0,0,0,0,0|0,0,0]=0 7 B9R0.7 NC(=O)CC[C@H](N)C(=O)O 28640 [0,0,0,0,0,0|0,0,0]=0 8 B9R0.7 NC(=O)CC[C@H](N)C(=O)O D70833 [0,0,0,0,0,0|0,0,0]=0 9 B9R0.7 NC(=O)NC[C@H](N)C(=O)O C90278 [0,0,0,0,0,0|1,0,0]=1 10 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O FD21440 [0,0,0,0,0,0|2,0,0]=2 11 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O 28645 [0,0,0,0,0,0|1,0,0]=1 12 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O AC7831 [0,0,0,0,0,0|1,0,0]=1 13 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O D70530 [0,0,0,0,0,0|1,0,0]=1 14 B9R0.7 O=C(O)CCC(=O)C(=O)O D70548 [0,0,0,0,0,0|2,0,1]=3 15 B9R0.7 O=C(O)CNC(=O)C(=O)O D82028 [0,0,0,0,0,0|3,0,1]=4 16 B9R0.7 O=C([O-])CCC(=O)C(=O)[O-] D91223 [0,0,0,0,0,0|2,0,2]=4 17 B9R0.7 O=C([O-])CC[C@H](O)C(=O)[O-] D87674 [0,0,0,0,0,0|2,0,1]=3 18 B9R0.7 O=C([O-])CC[C@H](O)C(=O)[O-] O12071 [0,0,0,0,0,0|2,0,1]=3 19 B8R0.8 CCCC[C@H](Br)C(=O)O H11951 [1,0,0,0,0,0|2,0,1]=4 20 B8R0.8 CCCC[C@H](C)C(=O)O D91409 [1,0,0,0,0,0|2,0,1]=4 21 B8R0.8 CCCC[C@H](N)C(=O)O 73275 [1,0,0,0,0,0|1,0,1]=3 22 B8R0.8 CCCC[C@H](N)C(=O)O FD3031 [1,0,0,0,0,0|1,0,1]=3 23 B8R0.8 CCCC[C@H](N)C(=O)O FD3085 [1,0,0,0,0,0|1,0,1]=3 24 B8R0.8 CSCC[C@H](N)C(=O)O 30742 [1,0,0,0,0,0|2,0,0]=3 25 B8R0.8 CSCC[C@H](N)C(=O)O D70895 [1,0,0,0,0,0|2,0,0]=3 26 B8R0.8 CSCC[C@H](N)C(=O)O D72471 [1,0,0,0,0,0|2,0,0]=3 27 B8R0.8 CSCC[C@H](N)C(=O)[O-] D70450 [1,0,0,0,0,0|2,0,1]=4 28 B8R0.8 CSCC[C@H](N)C(N)=O F10669 [1,0,0,0,0,0|3,0,0]=4 29 B8R0.8 CSCC[C@H](O)C(=O)O H11809 [1,0,0,0,0,0|3,0,0]=4 30 B8R0.8 C[Se]CC[C@H](N)C(=O)O D92258 [1,0,0,0,0,0|2,0,0]=3 31 B8R0.8 NCCC[C@H](N)C(=O)O 28202 [1,0,0,0,0,0|0,0,1]=2 32 B8R0.8 NCCC[C@H](N)C(=O)O 28697 [1,0,0,0,0,0|0,0,1]=2 33 B8R0.8 NCCC[C@H](N)C(=O)O AC1496 [1,0,0,0,0,0|0,0,1]=2 34 B8R0.8 NCCC[C@H](N)C(=O)O D70545 [1,0,0,0,0,0|0,0,1]=2 35 B8R0.8 NCCC[C@H](N)C(=O)O D91796 [1,0,0,0,0,0|0,0,1]=2 36 B8R0.8 NCCC[C@H](N)C(=O)O F17224 [1,0,0,0,0,0|0,0,1]=2 37 B8R0.28 CC(=O)CCCC(=O)O TD8115 [1,0,0,0,0,0|1,0,0]=2 38 B8R0.28 CC(=O)CCOC(C)=O D84229 [1,0,0,0,0,0|3,0,0]=4 39 B8R0.28 CC(=O)NCCC(=O)O 50398 [1,0,0,0,0,0|2,0,0]=3 40 B8R0.28 CC(=O)SCCC(=O)O N12196 [1,0,0,0,0,0|2,0,0]=3 41 B8R0.28 CN(C)CCCC(=O)O F14882 [1,0,0,0,0,0|3,0,0]=4 42 B8R0.28 N=C(N)NCCC(=O)O H10255 [1,0,0,0,0,0|2,0,0]=3 43 B8R0.28 N=C(N)SCCC(=O)O C15948 [1,0,0,0,0,0|2,0,0]=3 44 B8R0.28 O=C(Cl)COCC(=O)Cl D91875 [1,0,0,0,0,0|3,0,0]=4 45 B8R0.28 O=C(O)CCCC(=O)O D70283 [1,0,0,0,0,0|1,0,0]=2 46 B8R0.28 O=C(O)COCC(=O)O 73725 [1,0,0,0,0,0|2,0,0]=3 47 B8R0.28 O=C(O)CSCC(=O)O AT13116 [1,0,0,0,0,0|2,0,0]=3 48 B8R0.28 O=C(O)\C=C\CC(=O)O F21361 [1,0,0,0,0,0|1,0,2]=4 49 B10R0.43 CC(C)(CCC(=O)O)C(=O)O D79772 [0,1,0,0,0,0|2,0,0]=3 50 B10R0.57 COC(=O)[C@@H](N)CCC(=O)O 28878 [0,1,0,0,0,0|1,0,0]=2 51 B10R0.57 COC(=O)[C@@H](N)CCC(=O)O 43933 [0,1,0,0,0,0|1,0,0]=2 52 B10R0.57 COC(=O)[C@@H](N)CCC(=O)O FD21482 [0,1,0,0,0,0|1,0,0]=2 53 B10R0.57 COC(=O)[C@@H](N)CCC(N)=O 68605 [0,1,0,0,0,0|0,0,0]=1 54 B10R0.82 COC(=O)CC[C@H](N)C(=O)O 23115 [0,1,0,0,0,0|1,0,0]=2 55 B10R0.82 COC(=O)CC[C@H](N)C(=O)O FD21425 [0,1,0,0,0,0|1,0,0]=2 56 B10R0.82 COC(=O)CC[C@H](N)C(=O)O FD21478 [0,1,0,0,0,0|1,0,0]=2 57 B10R0.82 COC(=O)CC[C@H](N)C(N)=O FD21446 [0,1,0,0,0,0|2,0,0]=3 58 B10R0.84 CN[C@@H](CCC(=O)O)C(=O)O F15110 [0,1,0,0,0,0|1,0,0]=2 59 B10R0.92 CP(=O)(O)CCC(N)C(=O)O F20360 [0,1,0,0,0,0|2,0,0]=3 60 B10R0.92 CS(=O)(=O)CC[C@H](N)C(=O)O D91280 [0,1,0,0,0,0|2,0,0]=3 61 B10R0.92 CS(=O)(=O)CC[C@H](N)C(=O)O F11012 [0,1,0,0,0,0|2,0,0]=3 62 B10R0.92 N[C@@H](COP(=O)(O)O)C(=O)O F10885 [0,1,0,0,0,0|3,0,0]=4 63 B10R1.13 NC1CCC(C(=O)O)CC1 20592 [0,0,0,1,0,0|2,0,1]=4 64 B10R1.13 N[C@H]1CC[C@@H](C(=O)O)CC1 51515 [0,0,0,1,0,0|2,0,1]=4 65 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 51510 [0,0,0,1,0,0|2,0,1]=4 66 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 51511 [0,0,0,1,0,0|2,0,1]=4 67 B10R1.13 O=C1CCC(C(=O)O)=NN1 28549 [0,0,0,1,0,0|0,0,2]=3 68 B10R1.13 O=C1CCC(C(=O)O)CC1 50103 [0,0,0,1,0,0|2,0,0]=3 69 B10R1.13 O=C1CC[C@H](C(=O)O)CN1 37581 [0,0,0,1,0,0|1,0,0]=2 70 B10R1.58 CN1C[C@@H](C(N)=O)CC1=O 71057 [0,0,0,1,0,0|3,0,0]=4 71 B10R1.349 CC(=O)N1CC(C(=O)O)C1 30948 [0,0,0,1,0,0|3,0,0]=4 72 B10R1.359 O=C(O)[C@H]1CCS(=O)(=O)C1 F12823 [0,0,0,1,0,0|3,0,0]=4 73 B8R0.23 C=C(Br)C[C@H](N)C(=O)O D97319 [0,0,0,0,1,0|2,0,0]=3 74 B8R0.23 CC(=O)C[C@H](C)C(=O)O P10084 [0,0,0,0,1,0|2,0,0]=3 75 B8R0.23 CC(=O)N[C@@H](C)C(=O)O FD21035 [0,0,0,0,1,0|3,0,0]=4 76 B8R0.23 CC(=O)N[C@@H](C)C(=O)O FD21049 [0,0,0,0,1,0|3,0,0]=4 77 B8R0.23 CC(=O)N[C@@H](C)C(=O)O FD21057 [0,0,0,0,1,0|3,0,0]=4 78 B8R0.23 CC(=O)O[C@@H](C)C(=O)O 50550 [0,0,0,0,1,0|3,0,0]=4 79 B8R0.23 CC(=O)O[C@@H](C)C(=O)O D88540 [0,0,0,0,1,0|3,0,0]=4 80 B8R0.23 CC(=O)[C@@H](C)CC(=O)O T72797 [0,0,0,0,1,0|3,0,0]=4 81 B8R0.23 CC(C)C[C@H](N)C(=O)O 29890 [0,0,0,0,1,0|2,0,1]=4 82 B8R0.23 CC(C)C[C@H](N)C(=O)O AC7886 [0,0,0,0,1,0|2,0,1]=4 83 B8R0.23 CS(=O)C[C@H](N)C(=O)O D87103 [0,0,0,0,1,0|2,0,0]=3 84 B8R0.23 C[C@@H](CC(=O)O)C(=O)O 65400 [0,0,0,0,1,0|2,0,0]=3 85 B8R0.23 C[C@@H](CC(=O)O)C(=O)O 65402 [0,0,0,0,1,0|2,0,0]=3 86 B8R0.23 C[C@@H](CC(=O)O)C(=O)O H11814 [0,0,0,0,1,0|2,0,0]=3 87 B8R0.23 C[C@H](O)[C@@H](N)CC(=O)O 25533 [0,0,0,0,1,0|2,0,1]=4 88 B8R0.23 NC(=O)C[C@H](N)C(=O)O 20146 [0,0,0,0,1,0|0,0,0]=1 89 B8R0.23 NC(=O)C[C@H](N)C(=O)O 68743 [0,0,0,0,1,0|0,0,0]=1 90 B8R0.23 NC(=O)C[C@H](N)C(=O)O D70834 [0,0,0,0,1,0|0,0,0]=1 91 B8R0.23 NC(=O)C[C@H](N)C(=O)O F10838 [0,0,0,0,1,0|0,0,0]=1 92 B8R0.23 NC(=O)C[C@H](N)C(=O)O FD20027 [0,0,0,0,1,0|0,0,0]=1 93 B8R0.23 NC(=O)C[C@H](N)C(N)=O FD21206 [0,0,0,0,1,0|1,0,0]=2 94 B8R0.23 N[C@@H](CC(=O)O)C(=O)O 26084 [0,0,0,0,1,0|1,0,0]=2 95 B8R0.23 N[C@@H](CC(=O)O)C(=O)O D70832 [0,0,0,0,1,0|1,0,0]=2 96 B8R0.23 N[C@@H](CC(=O)O)C(=O)O D77793 [0,0,0,0,1,0|1,0,0]=2 97 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] D97789 [0,0,0,0,1,0|1,0,1]=3 98 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] D72536 [0,0,0,0,1,0|1,0,1]=3 99 B8R0.23 O=C(O)CC(=O)C(=O)O H12016 [0,0,0,0,1,0|2,0,1]=4 100 B8R0.23 O=C(O)C[C@H](Br)C(=O)O 67225 [0,0,0,0,1,0|2,0,0]=3 101 B8R0.23 O=C(O)C[C@H](O)C(=O)O 29313 [0,0,0,0,1,0|2,0,0]=3 102 B8R0.23 O=C(O)C[C@H](O)C(=O)O 68744 [0,0,0,0,1,0|2,0,0]=3 103 B8R0.23 O=C(O)C[C@H](S)C(=O)O D70319 [0,0,0,0,1,0|2,0,0]=3 104 B10R0.96 C[C@@H](CCC(=O)O)CC(=O)O D91380 [0,0,0,0,0,1|2,0,0]=3 105 B10R0.98 CC(=O)OCC[C@H](Cl)C(C)=O F10298 [0,0,0,0,0,1|3,0,0]=4 106 B10R0.98 N[C@@H](CCCC(=O)O)C(=O)O 46018 [0,0,0,0,0,1|1,0,0]=2 107 B10R0.98 N[C@@H](CCCC(=O)O)C(=O)O 46020 [0,0,0,0,0,1|1,0,0]=2 108 B10R0.98 N[C@@H](CCCC(=O)O)C(=O)O 51942 [0,0,0,0,0,1|1,0,0]=2 109 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O H11928 [0,0,0,0,0,1|1,0,0]=2 110 B7R0.4 C#CCCCC(=O)O F14123 [2,0,0,0,0,0|1,0,1]=4 111 B7R0.4 C=CCCCC(=O)O D86337 [2,0,0,0,0,0|1,0,0]=3 112 B7R0.4 C=CCNCC(=O)O 54025 [2,0,0,0,0,0|2,0,0]=4 113 B7R0.4 CCCCCC(N)=O D89187 [2,0,0,0,0,0|1,0,1]=4 114 B7R0.4 CNCCCC(=O)O 20515 [2,0,0,0,0,0|2,0,0]=4 115 B7R0.4 CNCCCC(=O)O AB7427 [2,0,0,0,0,0|2,0,0]=4 116 B7R0.4 N#CCCCC(=O)O RB3314 [2,0,0,0,0,0|0,0,2]=4 117 B7R0.4 NCCCCC(=O)O 76219 [2,0,0,0,0,0|0,0,1]=3 118 B7R0.4 NCCCCC(=O)O D78140 [2,0,0,0,0,0|0,0,1]=3 119 B7R0.4 NCCOCC(=O)O AT23391 [2,0,0,0,0,0|1,0,1]=4 120 B7R0.4 O=C(O)CCCCBr 76255 [2,0,0,0,0,0|1,0,1]=4 121 B7R0.4 O=C(O)CCCCCl C10667 [2,0,0,0,0,0|1,0,1]=4 122 B7R0.4 O=C([O-])CCCCO F13839 [2,0,0,0,0,0|1,0,1]=4 123 B7R0.5 C#CC[C@H](N)C(=O)O 23587 [2,0,0,0,0,0|0,0,2]=4 124 B7R0.5 C#CC[C@H](N)C(=O)O A50291 [2,0,0,0,0,0|0,0,2]=4 125 B7R0.5 C#CC[C@H](N)C(=O)O O10166 [2,0,0,0,0,0|0,0,2]=4 126 B7R0.5 C#CC[C@H](N)C(=O)O S10337 [2,0,0,0,0,0|0,0,2]=4 127 B7R0.5 C=CC[C@H](C)C(=O)O P20511 [2,0,0,0,0,0|1,0,1]=4 128 B7R0.5 C=CC[C@H](N)C(=O)O 67600 [2,0,0,0,0,0|0,0,1]=3 129 B7R0.5 C=CC[C@H](N)C(=O)O H10160 [2,0,0,0,0,0|0,0,1]=3 130 B7R0.5 C=CC[C@H](N)C(=O)O O10661 [2,0,0,0,0,0|0,0,1]=3 131 B7R0.5 C=CC[C@H](N)C(=O)O T70065 [2,0,0,0,0,0|0,0,1]=3 132 B7R0.5 CCC[C@H](C)C(=O)O D78086 [2,0,0,0,0,0|1,0,1]=4 133 B7R0.5 CCC[C@H](N)C(=O)O 27282 [2,0,0,0,0,0|0,0,1]=3 134 B7R0.5 CCC[C@H](N)C(=O)O 73286 [2,0,0,0,0,0|0,0,1]=3 135 B7R0.5 CCC[C@H](N)C(=O)O D70899 [2,0,0,0,0,0|0,0,1]=3 136 B7R0.5 COC[C@H](N)C(=O)O 23000 [2,0,0,0,0,0|1,0,1]=4 137 B7R0.5 COC[C@H](N)C(=O)O 23621 [2,0,0,0,0,0|1,0,1]=4 138 B7R0.5 COC[C@H](N)C(=O)O 25149 [2,0,0,0,0,0|1,0,1]=4 139 B7R0.5 COC[C@H](N)C(=O)O 52228 [2,0,0,0,0,0|1,0,1]=4 140 B7R0.5 COC[C@H](N)C(=O)O F10843 [2,0,0,0,0,0|1,0,1]=4 141 B7R0.5 CSC[C@H](N)C(=O)O FD21238 [2,0,0,0,0,0|1,0,1]=4 142 B7R0.5 C[C@H](NC=O)C(=O)O T72666 [2,0,0,0,0,0|2,0,0]=4 143 B7R0.5 NCC[C@H](N)C(=O)O 71083 [2,0,0,0,0,0|0,0,0]=2 144 B7R0.5 NCC[C@H](N)C(=O)O FD1067 [2,0,0,0,0,0|0,0,0]=2 145 B7R0.5 NCC[C@H](N)C(=O)O FD1073 [2,0,0,0,0,0|0,0,0]=2 146 B7R0.5 NCC[C@H](O)C(=O)O 28622 [2,0,0,0,0,0|1,0,0]=3 147 B7R0.5 NCC[C@H](O)C(=O)O O11154 [2,0,0,0,0,0|1,0,0]=3 148 B7R0.5 N[C@@H](CCBr)C(=O)O FD1268 [2,0,0,0,0,0|1,0,0]=3 149 B7R0.5 N[C@@H](CCO)C(=O)O 27335 [2,0,0,0,0,0|0,0,1]=3 150 B7R0.5 N[C@@H](CCO)C(=O)O FD1121 [2,0,0,0,0,0|0,0,1]=3 151 B7R0.5 N[C@@H](CCO)C(=O)O FD1124 [2,0,0,0,0,0|0,0,1]=3 152 B7R0.6 NC(=O)CCC(N)=O H12055 [2,0,0,0,0,0|0,0,1]=3 153 B9R0.8 CCCC[C@H](N)C(=O)OC 23107 [1,1,0,0,0,0|1,0,1]=4 154 B9R0.8 CCCC[C@H](N)C(=O)OC O10226 [1,1,0,0,0,0|1,0,1]=4 155 B9R0.8 COC(=O)[C@@H](N)CCCN I10675 [1,1,0,0,0,0|0,0,1]=3 156 B9R0.8 COC(=O)[C@@H](N)CCSC F10799 [1,1,0,0,0,0|2,0,0]=4 157 B9R0.8 COC(=O)[C@@H](N)CCSC F10996 [1,1,0,0,0,0|2,0,0]=4 158 B9R0.47 C=CCSC[C@H](N)C(=O)O D70846 [1,1,0,0,0,0|1,0,0]=3 159 B9R0.47 C=CCSC[C@H](N)C(=O)O F10957 [1,1,0,0,0,0|1,0,0]=3 160 B9R0.47 CCCCC[C@H](N)C(=O)O C71385 [1,1,0,0,0,0|1,0,1]=4 161 B9R0.47 CCSCC[C@H](N)C(=O)O 30126 [1,1,0,0,0,0|1,0,1]=4 162 B9R0.47 NCCCC[C@H](N)C(=O)O 23029 [1,1,0,0,0,0|0,0,1]=3 163 B9R0.47 NCCCC[C@H](N)C(=O)O 26700 [1,1,0,0,0,0|0,0,1]=3 164 B9R0.47 NCCCC[C@H](N)C(=O)O 70041 [1,1,0,0,0,0|0,0,1]=3 165 B9R0.47 NCCCC[C@H](N)C(=O)O AC7885 [1,1,0,0,0,0|0,0,1]=3 166 B9R0.47 NCCCC[C@H](N)C(=O)O D70557 [1,1,0,0,0,0|0,0,1]=3 167 B9R0.47 NCCCC[C@H](N)C(=O)O D70613 [1,1,0,0,0,0|0,0,1]=3 168 B9R0.47 NCCCC[C@H](N)C(=O)O F11082 [1,1,0,0,0,0|0,0,1]=3 169 B9R0.47 NCCCC[C@H](N)C(=O)O FD20004 [1,1,0,0,0,0|0,0,1]=3 170 B9R0.47 NCCCC[C@H](N)C(=O)O S10365 [1,1,0,0,0,0|0,0,1]=3 171 B9R0.47 NCCCC[C@H](N)C(N)=O F10910 [1,1,0,0,0,0|1,0,1]=4 172 B9R0.1 C=C(C)CCCC(=O)OC C74671 [1,1,0,0,0,0|2,0,0]=4 173 B9R0.1 COC(=O)CCCC(=O)Cl S11980 [1,1,0,0,0,0|1,0,0]=3 174 B9R0.1 COC(=O)CCCC(=O)O AC9189 [1,1,0,0,0,0|1,0,0]=3 175 B9R0.1 COC(=O)CCCC(C)=O AC8283 [1,1,0,0,0,0|1,0,0]=3 176 B9R0.1 COC(=O)CCC[N+](=O)[O-] W12509 [1,1,0,0,0,0|2,0,0]=4 177 B9R0.1 COC(=O)CSCC(=O)O D80849 [1,1,0,0,0,0|2,0,0]=4 178 B9R0.53 CC(CC(=O)O)CC(=O)O 69331 [1,1,0,0,0,0|1,0,0]=3 179 B9R0.53 CN(CC(=O)O)CC(=O)O 50927 [1,1,0,0,0,0|2,0,0]=4 180 B9R0.53 O=C(O)CC(=O)CC(=O)O 43844 [1,1,0,0,0,0|1,0,1]=4 181 B9R0.56 NS(=O)(=O)CCCC(=O)O F11129 [1,1,0,0,0,0|1,0,0]=3 182 B9R0.11 CC(C)(CC(=O)O)C(=O)O O10560 [0,1,0,0,1,0|2,0,0]=4 183 B9R0.11 O=C(O)CC(S)(S)C(=O)O D95762 [0,1,0,0,1,0|2,0,0]=4 184 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O AC2467 [0,1,0,0,1,0|1,0,0]=3 185 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O D81957 [0,1,0,0,1,0|2,0,0]=4 186 B9R0.79 CC(C(=O)O)C(N)C(=O)O D83126 [0,1,0,0,1,0|1,0,0]=3 187 B9R0.79 C[C@H](C(=O)O)[C@@H](C)C(=O)O W13396 [0,1,0,0,1,0|2,0,0]=4 188 B9R0.79 O=C(O)C(Br)C(Br)C(=O)O E70301 [0,1,0,0,1,0|2,0,0]=4 189 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O 55667 [0,1,0,0,1,0|2,0,0]=4 190 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O D70248 [0,1,0,0,1,0|2,0,0]=4 191 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O D78024 [0,1,0,0,1,0|2,0,0]=4 192 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O D89803 [0,1,0,0,1,0|2,0,0]=4 193 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O F12055 [0,1,0,0,1,0|2,0,0]=4 194 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O F15418 [0,1,0,0,1,0|2,0,0]=4 195 B9R0.79 O=C(O)[C@H](S)[C@H](S)C(=O)O C10928 [0,1,0,0,1,0|2,0,0]=4 196 B11R0.109 COC(=O)CCC[C@H](N)C(=O)O D95453 [0,1,0,0,0,1|1,0,0]=3 197 B11R0.150 CC(CCC(C)C(=O)O)C(=O)O D97572 [0,1,0,0,0,1|2,0,0]=4 198 B11R0.150 NC(=O)C(Br)CCC(Br)C(N)=O A11110 [0,1,0,0,0,1|2,0,0]=4 199 B11R0.150 O=C(O)C(Br)CCC(Br)C(=O)O D94965 [0,1,0,0,0,1|2,0,0]=4 200 B11R0.318 N[C@@H](CCCP(=O)(O)O)C(=O)O D93187 [0,1,0,0,0,1|2,0,0]=4 201 B11R0.120 COC(=O)CC[C@H](N)C(=O)OC AR2240 [0,2,0,0,0,0|1,0,0]=3 202 B11R0.120 COC(=O)CC[C@H](N)C(=O)OC FD21439 [0,2,0,0,0,0|1,0,0]=3 203 B11R0.120 COC(=O)CC[C@H](N)C(=O)OC FD21510 [0,2,0,0,0,0|1,0,0]=3 204 B11R0.141 CCNC(=O)CC[C@H](N)C(=O)O A11378 [0,2,0,0,0,0|0,0,0]=2 205 B11R0.141 CCOC(=O)CC[C@H](N)C(=O)O FD21427 [0,2,0,0,0,0|1,0,0]=3 206 B9R1.6 O=C(O)[C@@H]1CC=CCC1 38226 [1,0,0,1,0,0|2,0,0]=4 207 B9R1.6 O=C(O)[C@@H]1CC=CCC1 77785 [1,0,0,1,0,0|2,0,0]=4 208 B9R1.6 O=C(O)[C@@H]1CC=CCC1 F11249 [1,0,0,1,0,0|2,0,0]=4 209 B9R1.6 O=C(O)[C@@H]1CCCCN1 24951 [1,0,0,1,0,0|1,0,1]=4 210 B9R1.6 O=C(O)[C@@H]1CCCCN1 39420 [1,0,0,1,0,0|1,0,1]=4 211 B9R1.6 O=C(O)[C@@H]1CCCCN1 65236 [1,0,0,1,0,0|1,0,1]=4 212 B9R1.6 O=C(O)[C@@H]1CCCCN1 69549 [1,0,0,1,0,0|1,0,1]=4 213 B9R1.6 O=C(O)[C@@H]1CCCCN1 69551 [1,0,0,1,0,0|1,0,1]=4 214 B9R1.6 O=C(O)[C@@H]1CCCCN1 78208 [1,0,0,1,0,0|1,0,1]=4 215 B9R1.6 O=C(O)[C@H]1CCCNC1 24456 [1,0,0,1,0,0|1,0,1]=4 216 B9R1.6 O=C(O)[C@H]1CCCNC1 29863 [1,0,0,1,0,0|1,0,1]=4 217 B9R1.6 O=C(O)[C@H]1CCCNC1 64551 [1,0,0,1,0,0|1,0,1]=4 218 B9R1.6 O=C(O)[C@H]1CCCNC1 64552 [1,0,0,1,0,0|1,0,1]=4 219 B9R1.6 O=C(O)[C@H]1CCCNC1 64555 [1,0,0,1,0,0|1,0,1]=4 220 B9R1.35 NC(=O)[C@@H]1CCC(=O)N1 S12115 [1,0,0,1,0,0|1,0,0]=3 221 B9R1.35 NC1CCC(C(=O)O)C1 31351 [1,0,0,1,0,0|1,0,1]=4 222 B9R1.35 NC1CCC(C(=O)O)C1 38978 [1,0,0,1,0,0|1,0,1]=4 223 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 73672 [1,0,0,1,0,0|1,0,1]=4 224 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 F16405 [1,0,0,1,0,0|1,0,1]=4 225 B9R1.35 O=C1C=C(C(=O)O)CC1 D82157 [1,0,0,1,0,0|1,0,1]=4 226 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 36689 [1,0,0,1,0,0|0,0,0]=2 227 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 D77751 [1,0,0,1,0,0|0,0,0]=2 228 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 P17107 [1,0,0,1,0,0|0,0,0]=2 229 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 60501 [1,0,0,1,0,0|1,0,0]=3 230 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 78331 [1,0,0,1,0,0|1,0,0]=3 231 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 86330 [1,0,0,1,0,0|1,0,0]=3 232 B9R1.35 O=C1CC[C@@H](C(=O)[O-])N1 S10166 [1,0,0,1,0,0|0,0,1]=3 233 B9R1.35 O=C1CC[C@H](C(=O)O)C1 24489 [1,0,0,1,0,0|1,0,0]=3 234 B9R1.35 O=C1CC[C@H](C(=O)O)C1 P12600 [1,0,0,1,0,0|1,0,0]=3 235 B9R1.35 O=C1CC[C@H](C(=O)O)C1 P12601 [1,0,0,1,0,0|1,0,0]=3 236 B9R1.35 O=C1CN[C@H](C(=O)O)C1 D87765 [1,0,0,1,0,0|2,0,0]=4 237 B9R1.35 O=C1C[C@H](C(=O)O)CN1 P10333 [1,0,0,1,0,0|2,0,0]=4 238 B9R1.35 O=C1N[C@H](C(=O)O)CO1 93865 [1,0,0,1,0,0|1,0,0]=3 239 B9R1.35 O=C1N[C@H](C(=O)O)CS1 D70531 [1,0,0,1,0,0|1,0,0]=3 240 B9R1.69 N[C@H]1CCC(=O)NC1=O 29616 [1,0,0,1,0,0|1,0,0]=3 241 B9R1.69 N[C@H]1CCC(=O)NC1=O 68699 [1,0,0,1,0,0|1,0,0]=3 242 B9R1.69 N[C@H]1CCC(=O)NC1=O D71109 [1,0,0,1,0,0|1,0,0]=3 243 B9R1.69 N[C@H]1CCC(=O)NC1=O D78527 [1,0,0,1,0,0|1,0,0]=3 244 B9R1.69 O=C1CC[C@H](Br)C(=O)N1 27955 [1,0,0,1,0,0|2,0,0]=4 245 B9R1.110 N[C@H](C(=O)O)C1CCC1 67424 [1,0,0,1,0,0|1,0,1]=4 246 B9R1.112 N[C@@H](CC1CC1)C(=O)O 51300 [1,0,0,1,0,0|1,0,1]=4 247 B9R1.112 N[C@@H](CC1CC1)C(=O)O 51301 [1,0,0,1,0,0|1,0,1]=4 248 B9R1.163 C[C@@]1(C(=O)O)CCCN1 38428 [1,0,0,1,0,0|1,0,1]=4 249 B9R1.163 C[C@@]1(C(=O)O)CCCN1 85143 [1,0,0,1,0,0|1,0,1]=4 250 B9R1.163 C[C@@]1(C(=O)O)CCCN1 F14122 [1,0,0,1,0,0|1,0,1]=4 251 B9R1.163 C[C@@]1(C(=O)O)CCCN1 S10668 [1,0,0,1,0,0|1,0,1]=4 252 B9R1.163 NC1(C(=O)O)CCCC1 FD1031 [1,0,0,1,0,0|1,0,1]=4 253 B9R1.53 CC(=O)O[C@H]1CC(=O)N1 33120 [1,0,0,1,0,0|2,0,0]=4 254 B11R1.175 O=C(O)C1CCC(C(=O)O)C1 25647 [0,0,0,1,0,1|2,0,0]=4 255 B11R1.175 O=C(O)C1CCC(C(=O)O)O1 D93524 [0,0,0,1,0,1|2,0,0]=4 256 B11R1.175 O=C(O)C1CSC(C(=O)O)N1 W17240 [0,0,0,1,0,1|1,0,0]=3 257 B11R1.175 O=C(O)[C@H]1CC[C@@H](C(=O)O)C1 33475 [0,0,0,1,0,1|2,0,0]=4 258 B11R1.220 CC1(C(=O)O)CCC(=O)CC1 95142 [0,1,0,1,0,0|2,0,0]=4 259 B11R1.22 COC(=O)C1CCC(=O)CC1 64838 [0,1,0,1,0,0|2,0,0]=4 260 B11R1.22 COC(=O)[C@H]1CCC(=O)NC1 37580 [0,1,0,1,0,0|1,0,0]=3 261 B7R0.2 N[C@H](CO)CC(=O)O 27226 [1,0,0,0,1,0|1,0,1]=4 262 B7R0.16 CC(C(=O)O)C(=O)O AC1639 [0,0,0,0,2,0|2,0,0]=4 263 B7R0.16 C[C@@H](O)[C@H](N)C(N)=O AC8031 [0,0,0,0,2,0|1,0,1]=4 264 B7R0.16 NC(=O)C(N)C(N)=O 23233 [0,0,0,0,2,0|1,0,0]=3 265 B7R0.16 NC(C(=O)O)C(=O)O F20577 [0,0,0,0,2,0|1,0,0]=3 266 B9R0.4 CCCC[C@H](N)CC(=O)O 29775 [1,0,0,0,0,1|1,0,1]=4 267 B9R0.55 CC(=O)CCCCC(=O)O AT14509 [1,0,0,0,0,1|1,0,0]=3 268 B9R0.55 CC(=O)NCCCC(=O)O D87839 [1,0,0,0,0,1|1,0,0]=3 269 B9R0.55 N=C(N)NCCCC(=O)O D84250 [1,0,0,0,0,1|1,0,0]=3 270 B9R0.55 NC(=O)CCCCC(N)=O W18552 [1,0,0,0,0,1|1,0,0]=3 271 B9R0.55 O=C(Cl)CCCCC(=O)Cl D95337 [1,0,0,0,0,1|2,0,0]=4 272 B9R0.55 O=C(O)CCCCC(=O)O D70505 [1,0,0,0,0,1|1,0,0]=3 273 B9R0.55 O=C(O)CSSCC(=O)O AT13108 [1,0,0,0,0,1|2,0,0]=4 274 B9R0.55 O=C(O)C\C=C\CC(=O)O AT19968 [1,0,0,0,0,1|1,0,1]=4 275 B9R0.55 O=C([O-])CCCCC(=O)[O-] D88288 [1,0,0,0,0,1|1,0,1]=4 276 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O 95720 [0,0,0,0,0,2|1,0,0]=3 277 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O AC8019 [0,0,0,0,0,2|1,0,0]=3 278 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O C10586 [0,0,0,0,0,2|1,0,0]=3 279 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O D70773 [0,0,0,0,0,2|1,0,0]=3 280 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O D88273 [0,0,0,0,0,2|1,0,0]=3 281 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O F10938 [0,0,0,0,0,2|1,0,0]=3 282 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O F11039 [0,0,0,0,0,2|1,0,0]=3 283 B11R0.29 N=C(N)NCCC[C@H](N)C(N)=O H11978 [0,0,0,0,0,2|2,0,0]=4 284 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O 22412 [0,0,0,0,0,2|0,0,0]=2 285 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O 27644 [0,0,0,0,0,2|0,0,0]=2 286 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O D71216 [0,0,0,0,0,2|0,0,0]=2 287 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O D89239 [0,0,0,0,0,2|0,0,0]=2 288 B11R0.29 NC(N)=NCCC[C@H](N)C(=O)O 39368 [0,0,0,0,0,2|1,0,0]=3 289 B11R0.29 N[C@@H](CCCCC(=O)O)C(=O)O F16285 [0,0,0,0,0,2|1,0,0]=3