0 B8R0.2 CCC(C)C(=O)C(=O)[O-] H10988 [0,0,0,0,0,0|1,0,2]=3 1 B8R0.2 CCC(C)C(N)C(=O)O FD21837 [0,0,0,0,0,0|0,0,0]=0 2 B8R0.2 CCC(C)C(N)C(=O)O FD3037 [0,0,0,0,0,0|0,0,0]=0 3 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O 28632 [0,0,0,0,0,0|0,0,0]=0 4 B8R0.2 CC[C@H](C)C(=O)C(=O)O F16679 [0,0,0,0,0,0|1,0,1]=2 5 B8R0.2 CC[C@H](C)C(=O)C(=O)[O-] D97764 [0,0,0,0,0,0|1,0,2]=3 6 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O FD20022 [0,0,0,0,0,0|0,0,0]=0 7 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O FD21838 [0,0,0,0,0,0|0,0,0]=0 8 B8R0.2 CC[C@H](C)[C@H](N)C(N)=O FD21807 [0,0,0,0,0,0|1,0,0]=1 9 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O 24109 [0,0,0,0,0,0|1,0,0]=1 10 B8R0.2 O=C([O-])[C@@H](O)[C@@H](O)CO P20477 [0,0,0,0,0,0|3,0,1]=4 11 B8R0.2 O=C([O-])[C@@H](O)[C@H](O)CO 23273 [0,0,0,0,0,0|3,0,1]=4 12 B8R0.2 O=C([O-])[C@@H](O)[C@H](O)CO D70314 [0,0,0,0,0,0|3,0,1]=4 13 B7R0.2 CCC(=O)CC(C)=O 24687 [1,0,0,0,0,0|2,0,1]=4 14 B7R0.2 CCC(C)CC(C)N 40016 [1,0,0,0,0,0|2,0,1]=4 15 B7R0.2 CCC(C)CC(C)N D88161 [1,0,0,0,0,0|2,0,1]=4 16 B7R0.2 CCN(C)CC(=O)O D97398 [1,0,0,0,0,0|1,0,0]=2 17 B7R0.2 CC[C@H](C)CC(=O)O 63956 [1,0,0,0,0,0|0,0,0]=1 18 B7R0.2 CC[C@H](C)CC(=O)O 63972 [1,0,0,0,0,0|0,0,0]=1 19 B7R0.2 CC[C@H](C)NC(N)=O D95824 [1,0,0,0,0,0|2,0,0]=3 20 B7R0.2 CC[C@H](N)CC(=O)O 52001 [1,0,0,0,0,0|1,0,0]=2 21 B7R0.2 CC[C@H](N)CC(=O)O 52002 [1,0,0,0,0,0|1,0,0]=2 22 B7R0.2 CC[C@H](N)CC(=O)O Y10914 [1,0,0,0,0,0|1,0,0]=2 23 B7R0.2 CC[C@H](N)CC(=O)O Y11199 [1,0,0,0,0,0|1,0,0]=2 24 B7R0.2 COC(=O)CC(=O)O 36101 [1,0,0,0,0,0|2,0,1]=4 25 B7R0.2 NC[C@@H](N)CC(=O)O D82928 [1,0,0,0,0,0|2,0,0]=3 26 B7R0.2 NC[C@@H](O)CC(=O)O 52129 [1,0,0,0,0,0|2,0,0]=3 27 B7R0.2 NC[C@@H](O)CC(=O)O 52130 [1,0,0,0,0,0|2,0,0]=3 28 B7R0.2 NC[C@@H](O)CC(=O)O AB3028 [1,0,0,0,0,0|2,0,0]=3 29 B7R0.2 N[C@H](CO)CC(=O)O 27226 [1,0,0,0,0,0|2,0,0]=3 30 B7R0.5 C#CC[C@H](N)C(=O)O 23587 [1,0,0,0,0,0|0,0,2]=3 31 B7R0.5 C#CC[C@H](N)C(=O)O A50291 [1,0,0,0,0,0|0,0,2]=3 32 B7R0.5 C#CC[C@H](N)C(=O)O O10166 [1,0,0,0,0,0|0,0,2]=3 33 B7R0.5 C#CC[C@H](N)C(=O)O S10337 [1,0,0,0,0,0|0,0,2]=3 34 B7R0.5 C=CC[C@H](C)C(=O)O P20511 [1,0,0,0,0,0|1,0,2]=4 35 B7R0.5 C=CC[C@H](N)C(=O)O 67600 [1,0,0,0,0,0|0,0,2]=3 36 B7R0.5 C=CC[C@H](N)C(=O)O H10160 [1,0,0,0,0,0|0,0,2]=3 37 B7R0.5 C=CC[C@H](N)C(=O)O O10661 [1,0,0,0,0,0|0,0,2]=3 38 B7R0.5 C=CC[C@H](N)C(=O)O T70065 [1,0,0,0,0,0|0,0,2]=3 39 B7R0.5 CCCN(C)C(=O)Cl AC2466 [1,0,0,0,0,0|3,0,0]=4 40 B7R0.5 CCC[C@H](C)C(=O)O D78086 [1,0,0,0,0,0|1,0,0]=2 41 B7R0.5 CCC[C@H](N)C(=O)O 27282 [1,0,0,0,0,0|0,0,0]=1 42 B7R0.5 CCC[C@H](N)C(=O)O 73286 [1,0,0,0,0,0|0,0,0]=1 43 B7R0.5 CCC[C@H](N)C(=O)O D70899 [1,0,0,0,0,0|0,0,0]=1 44 B7R0.5 CCOC(=O)C(=O)O C75898 [1,0,0,0,0,0|2,0,1]=4 45 B7R0.5 CC\C=C(/C)C(=O)O D78175 [1,0,0,0,0,0|1,0,2]=4 46 B7R0.5 COC[C@H](N)C(=O)O 23000 [1,0,0,0,0,0|1,0,0]=2 47 B7R0.5 COC[C@H](N)C(=O)O 23621 [1,0,0,0,0,0|1,0,0]=2 48 B7R0.5 COC[C@H](N)C(=O)O 25149 [1,0,0,0,0,0|1,0,0]=2 49 B7R0.5 COC[C@H](N)C(=O)O 52228 [1,0,0,0,0,0|1,0,0]=2 50 B7R0.5 COC[C@H](N)C(=O)O F10843 [1,0,0,0,0,0|1,0,0]=2 51 B7R0.5 CSC[C@H](N)C(=O)O FD21238 [1,0,0,0,0,0|1,0,0]=2 52 B7R0.5 NCC[C@H](N)C(=O)O 71083 [1,0,0,0,0,0|1,0,0]=2 53 B7R0.5 NCC[C@H](N)C(=O)O FD1067 [1,0,0,0,0,0|1,0,0]=2 54 B7R0.5 NCC[C@H](N)C(=O)O FD1073 [1,0,0,0,0,0|1,0,0]=2 55 B7R0.5 NCC[C@H](O)C(=O)O 28622 [1,0,0,0,0,0|2,0,0]=3 56 B7R0.5 NCC[C@H](O)C(=O)O O11154 [1,0,0,0,0,0|2,0,0]=3 57 B7R0.5 N[C@@H](CCBr)C(=O)O FD1268 [1,0,0,0,0,0|1,0,0]=2 58 B7R0.5 N[C@@H](CCO)C(=O)O 27335 [1,0,0,0,0,0|1,0,0]=2 59 B7R0.5 N[C@@H](CCO)C(=O)O FD1121 [1,0,0,0,0,0|1,0,0]=2 60 B7R0.5 N[C@@H](CCO)C(=O)O FD1124 [1,0,0,0,0,0|1,0,0]=2 61 B7R0.10 CCC(S)C(C)CO A10541 [1,0,0,0,0,0|2,0,1]=4 62 B7R0.10 CC[C@@H](C)[C@@H](N)CO AC7563 [1,0,0,0,0,0|0,0,1]=2 63 B7R0.10 CC[C@@H](C)[C@@H](N)CO FD21812 [1,0,0,0,0,0|0,0,1]=2 64 B7R0.16 CC(C)C(=O)C(=O)O 31009 [1,0,0,0,0,0|1,0,1]=3 65 B7R0.16 CC(C)C(=O)C(=O)[O-] O12076 [1,0,0,0,0,0|1,0,2]=4 66 B7R0.16 CC(C)C(N)C(C)C F19859 [1,0,0,0,0,0|2,0,1]=4 67 B7R0.16 CC(C)C(N)C(C)C O10602 [1,0,0,0,0,0|2,0,1]=4 68 B7R0.16 CC(C)[C@H](Br)C(=O)O A10761 [1,0,0,0,0,0|1,0,0]=2 69 B7R0.16 CC(C)[C@H](Br)C(=O)O FD1208 [1,0,0,0,0,0|1,0,0]=2 70 B7R0.16 CC(C)[C@H](N)C(=O)O AC7511 [1,0,0,0,0,0|0,0,0]=1 71 B7R0.16 CC(C)[C@H](N)C(N)=O 35750 [1,0,0,0,0,0|1,0,0]=2 72 B7R0.16 CC(C)[C@H](N)C(N)=O F14574 [1,0,0,0,0,0|1,0,0]=2 73 B7R0.16 CC(C)[C@H](O)C(=O)O C10550 [1,0,0,0,0,0|1,0,0]=2 74 B7R0.16 CC(C)[C@H](O)C(=O)O F19720 [1,0,0,0,0,0|1,0,0]=2 75 B7R0.16 CC(C)[C@H](O)C(=O)O S12088 [1,0,0,0,0,0|1,0,0]=2 76 B7R0.16 CC(O)C(N)C(=O)O 39304 [1,0,0,0,0,0|1,0,0]=2 77 B7R0.16 CN(C)C(=O)C(=O)O 70322 [1,0,0,0,0,0|2,0,1]=4 78 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O 73726 [1,0,0,0,0,0|1,0,0]=2 79 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O AC7878 [1,0,0,0,0,0|1,0,0]=2 80 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O D95822 [1,0,0,0,0,0|1,0,0]=2 81 B7R0.16 C[C@@H](O)[C@H](N)C(N)=O AC8031 [1,0,0,0,0,0|2,0,0]=3 82 B7R0.16 C[C@H](O)[C@H](N)C(=O)O 20600 [1,0,0,0,0,0|1,0,0]=2 83 B7R0.16 C[C@H](O)[C@H](N)C(=O)O CX1250 [1,0,0,0,0,0|1,0,0]=2 84 B7R0.16 NC(C(=O)O)C(=O)O F20577 [1,0,0,0,0,0|2,0,1]=4 85 B9R0.27 CCC(=O)[C@H](C)C(=O)OC 20588 [0,1,0,0,0,0|2,0,1]=4 86 B9R0.27 CCC(=O)[C@H](F)C(=O)OC O11876 [0,1,0,0,0,0|2,0,1]=4 87 B9R0.27 CC[C@H](C)[C@H](N)C(=O)OC FD21803 [0,1,0,0,0,0|0,0,0]=1 88 B9R0.27 COC(=O)C(N)C(=O)OC D82896 [0,1,0,0,0,0|2,0,1]=4 89 B9R0.79 CC(C(=O)O)C(N)C(=O)O D83126 [0,1,0,0,0,0|1,0,1]=3 90 B9R0.79 CC(O)[C@H](C)[C@H](N)C(=O)O D97437 [0,1,0,0,0,0|0,0,0]=1 91 B9R0.79 C[C@H](C(=O)O)[C@@H](C)C(=O)O W13396 [0,1,0,0,0,0|2,0,1]=4 92 B9R1.3 CC1CCCC(O)C1C C72857 [0,0,0,1,0,0|2,0,1]=4 93 B9R1.37 CC1=C(O)C(=O)O[C@H]1C D82247 [0,0,0,1,0,0|1,0,2]=4 94 B9R1.37 CC1CC(=O)C(=O)C1C D81912 [0,0,0,1,0,0|2,0,1]=4 95 B9R1.41 CC1CCCC1C(=O)O 33416 [0,0,0,1,0,0|1,0,0]=2 96 B9R1.41 CN1CCC[C@H]1C(=O)O 28869 [0,0,0,1,0,0|2,0,0]=3 97 B9R1.41 CN1CCC[C@H]1C(=O)O 32214 [0,0,0,1,0,0|2,0,0]=3 98 B9R1.41 CN1CCC[C@H]1C(=O)O 32659 [0,0,0,1,0,0|2,0,0]=3 99 B9R1.41 CN1CCC[C@H]1C(=O)O 35836 [0,0,0,1,0,0|2,0,0]=3 100 B9R1.41 CN1CCC[C@H]1C(=O)O 74862 [0,0,0,1,0,0|2,0,0]=3 101 B9R1.41 CN1CCC[C@H]1C(=O)O 93283 [0,0,0,1,0,0|2,0,0]=3 102 B9R1.41 CN1CCC[C@H]1C(N)=O D83037 [0,0,0,1,0,0|3,0,0]=4 103 B9R1.41 CN1CCC[C@H]1C(N)=O P20756 [0,0,0,1,0,0|3,0,0]=4 104 B9R1.41 NC1CCCC1C(=O)O D94461 [0,0,0,1,0,0|2,0,0]=3 105 B9R1.110 N[C@H](C(=O)O)C1CCC1 67424 [0,0,0,1,0,0|0,0,0]=1 106 B9R0.23 COC(=O)[C@@H](N)CC(=O)O 78253 [0,0,0,0,0,1|2,0,1]=4 107 B9R0.23 COC(=O)[C@@H](N)CC(=O)O AT23254 [0,0,0,0,0,1|2,0,1]=4 108 B9R0.23 COC(=O)[C@@H](N)CC(=O)O C10287 [0,0,0,0,0,1|2,0,1]=4 109 B9R0.23 COC(=O)[C@@H](N)CC(=O)O F15183 [0,0,0,0,0,1|2,0,1]=4 110 B9R0.42 CNC(=O)C[C@H](N)C(=O)O D81461 [0,0,0,0,0,1|2,0,1]=4 111 B9R0.42 CNC(=O)C[C@H](N)C(=O)O D82943 [0,0,0,0,0,1|2,0,1]=4 112 B9R0.42 COC(=O)C[C@H](N)C(=O)O 31217 [0,0,0,0,0,1|2,0,1]=4 113 B9R0.42 COC(=O)C[C@H](N)C(=O)O 39305 [0,0,0,0,0,1|2,0,1]=4 114 B9R0.42 COC(=O)C[C@H](N)C(=O)O 52034 [0,0,0,0,0,1|2,0,1]=4 115 B9R0.42 COC(=O)C[C@H](N)C(=O)O O10165 [0,0,0,0,0,1|2,0,1]=4 116 B6R0.1 C=C[C@@H](O)CCC D90922 [2,0,0,0,0,0|2,0,0]=4 117 B6R0.1 CCC[C@H](N)CO A10468 [2,0,0,0,0,0|0,0,1]=3 118 B6R0.1 CCC[C@H](O)CO 73676 [2,0,0,0,0,0|1,0,1]=4 119 B6R0.1 CO[C@@H](C)CCO D77758 [2,0,0,0,0,0|1,0,1]=4 120 B6R0.1 CS[C@@H](C)CC=O D91557 [2,0,0,0,0,0|1,0,0]=3 121 B6R0.1 C[C@H](CO)CCO 63982 [2,0,0,0,0,0|1,0,1]=4 122 B6R0.1 C[C@H](CO)CCO 70021 [2,0,0,0,0,0|1,0,1]=4 123 B6R0.2 CC(=O)NC(C)C N12028 [2,0,0,0,0,0|2,0,0]=4 124 B6R0.2 CC(C)=CC(=O)O D78089 [2,0,0,0,0,0|0,0,2]=4 125 B6R0.2 CC(C)CB(O)O 33194 [2,0,0,0,0,0|1,0,1]=4 126 B6R0.2 CC(C)CC(=O)O D78213 [2,0,0,0,0,0|0,0,0]=2 127 B6R0.2 CC(C)OC(N)=O D81825 [2,0,0,0,0,0|2,0,0]=4 128 B6R0.2 CN(C)CC(=O)Cl A50815 [2,0,0,0,0,0|2,0,0]=4 129 B6R0.2 CN(C)CC(=O)O 28781 [2,0,0,0,0,0|1,0,0]=3 130 B6R0.2 CN(C)CC(=O)O 73674 [2,0,0,0,0,0|1,0,0]=3 131 B6R0.2 C[C@H](Cl)CC(=O)Cl AC1766 [2,0,0,0,0,0|2,0,0]=4 132 B6R0.2 C[C@H](Cl)CC(=O)O D89206 [2,0,0,0,0,0|1,0,0]=3 133 B6R0.2 C[C@H](N)CC(=O)O 62356 [2,0,0,0,0,0|1,0,0]=3 134 B6R0.2 C[C@H](N)CC(=O)O 62357 [2,0,0,0,0,0|1,0,0]=3 135 B6R0.2 C[C@H](N)CC(=O)O 62358 [2,0,0,0,0,0|1,0,0]=3 136 B6R0.2 C[C@H](N)CC(=O)O 62359 [2,0,0,0,0,0|1,0,0]=3 137 B6R0.2 C[C@H](N)CC(=O)O 62363 [2,0,0,0,0,0|1,0,0]=3 138 B6R0.2 C[C@H](O)CC(=O)O D84191 [2,0,0,0,0,0|1,0,0]=3 139 B6R0.2 C[C@H](O)CC(=O)O O10175 [2,0,0,0,0,0|1,0,0]=3 140 B6R0.2 C[C@H](O)CC(=O)[O-] 23392 [2,0,0,0,0,0|1,0,1]=4 141 B6R0.2 C[C@H](O)CC(=O)[O-] H10236 [2,0,0,0,0,0|1,0,1]=4 142 B6R0.4 C#CCCC(=O)O 90045 [2,0,0,0,0,0|0,0,2]=4 143 B6R0.4 C=CCCC(=O)O O12040 [2,0,0,0,0,0|0,0,2]=4 144 B6R0.4 CC(=O)CCCCl D77754 [2,0,0,0,0,0|2,0,0]=4 145 B6R0.4 CC(=O)CCCO 24602 [2,0,0,0,0,0|2,0,0]=4 146 B6R0.4 CCC#CC(=O)O D84135 [2,0,0,0,0,0|0,0,2]=4 147 B6R0.4 CCCCB(O)O 33151 [2,0,0,0,0,0|1,0,1]=4 148 B6R0.4 CCCCC(=N)N 31933 [2,0,0,0,0,0|2,0,0]=4 149 B6R0.4 CCCCC(=N)N W16181 [2,0,0,0,0,0|2,0,0]=4 150 B6R0.4 CCCCC(=O)[O-] F16484 [2,0,0,0,0,0|0,0,1]=3 151 B6R0.4 CCCCC(N)=O A10835 [2,0,0,0,0,0|1,0,0]=3 152 B6R0.4 CCCNC(C)=O D97464 [2,0,0,0,0,0|2,0,0]=4 153 B6R0.4 CCCOC(N)=O F16337 [2,0,0,0,0,0|2,0,0]=4 154 B6R0.4 CCCSC(C)=O D92148 [2,0,0,0,0,0|2,0,0]=4 155 B6R0.4 CCSCC(=O)O D95699 [2,0,0,0,0,0|1,0,0]=3 156 B6R0.4 CC\C=C\C(=O)O D72497 [2,0,0,0,0,0|0,0,2]=4 157 B6R0.4 CC\C=C\C(=O)O P17755 [2,0,0,0,0,0|0,0,2]=4 158 B6R0.4 CNCCC(=O)O 29150 [2,0,0,0,0,0|1,0,0]=3 159 B6R0.4 CNCCC(=O)O C76064 [2,0,0,0,0,0|1,0,0]=3 160 B6R0.4 COCCC(=O)O F14687 [2,0,0,0,0,0|1,0,0]=3 161 B6R0.4 CSCCC(=O)O D87669 [2,0,0,0,0,0|1,0,0]=3 162 B6R0.4 CSCCC(C)=O D91573 [2,0,0,0,0,0|2,0,0]=4 163 B6R0.4 C\C=C\CC(=O)O D92067 [2,0,0,0,0,0|0,0,2]=4 164 B6R0.4 N#CCCC(=O)O 81998 [2,0,0,0,0,0|1,0,1]=4 165 B6R0.4 NCCCC(=O)O D70585 [2,0,0,0,0,0|1,0,0]=3 166 B6R0.4 O=C(Cl)CCCBr P19996 [2,0,0,0,0,0|2,0,0]=4 167 B6R0.4 O=C(O)CCCBr 20498 [2,0,0,0,0,0|1,0,0]=3 168 B6R0.4 O=C(O)CCCCl F19286 [2,0,0,0,0,0|1,0,0]=3 169 B6R0.4 O=C(O)CCCS F20547 [2,0,0,0,0,0|1,0,0]=3 170 B6R0.3 CC(C)[C@@H](N)CO 23132 [2,0,0,0,0,0|0,0,1]=3 171 B6R0.3 CC(C)[C@@H](N)CO 39407 [2,0,0,0,0,0|0,0,1]=3 172 B6R0.3 CC(C)[C@@H](N)CO A10466 [2,0,0,0,0,0|0,0,1]=3 173 B6R0.3 CC(C)\C(N)=N\O 71215 [2,0,0,0,0,0|1,0,1]=4 174 B6R0.3 CCC(=O)C(=O)O O10846 [2,0,0,0,0,0|1,0,1]=4 175 B6R0.3 CCC(O)C(C)O D93064 [2,0,0,0,0,0|2,0,0]=4 176 B6R0.3 CC[C@H](Br)C(=O)Br D88666 [2,0,0,0,0,0|2,0,0]=4 177 B6R0.3 CC[C@H](Br)C(=O)Cl D89047 [2,0,0,0,0,0|2,0,0]=4 178 B6R0.3 CC[C@H](Br)C(=O)O P18633 [2,0,0,0,0,0|1,0,0]=3 179 B6R0.3 CC[C@H](Br)C(=O)O P18634 [2,0,0,0,0,0|1,0,0]=3 180 B6R0.3 CC[C@H](Br)C(N)=O F30757 [2,0,0,0,0,0|1,0,1]=4 181 B6R0.3 CC[C@H](C)B(O)O 33152 [2,0,0,0,0,0|2,0,0]=4 182 B6R0.3 CC[C@H](C)C(=O)O 88657 [2,0,0,0,0,0|1,0,0]=3 183 B6R0.3 CC[C@H](C)C(=O)O 88663 [2,0,0,0,0,0|1,0,0]=3 184 B6R0.3 CC[C@H](Cl)C(=O)O D89205 [2,0,0,0,0,0|1,0,0]=3 185 B6R0.3 CC[C@H](N)C(=O)O 11781 [2,0,0,0,0,0|0,0,0]=2 186 B6R0.3 CC[C@H](N)C(=O)O 23105 [2,0,0,0,0,0|0,0,0]=2 187 B6R0.3 CC[C@H](N)C(=O)O 25309 [2,0,0,0,0,0|0,0,0]=2 188 B6R0.3 CC[C@H](N)C(=O)O 80046 [2,0,0,0,0,0|0,0,0]=2 189 B6R0.3 CC[C@H](N)C(N)=O F11533 [2,0,0,0,0,0|1,0,0]=3 190 B6R0.3 CC[C@H](N)[C@@H](C)O D79477 [2,0,0,0,0,0|1,0,1]=4 191 B6R0.3 CC[C@H](O)C(=O)O 24676 [2,0,0,0,0,0|1,0,0]=3 192 B6R0.3 CC[C@H](O)C(=O)O A11368 [2,0,0,0,0,0|1,0,0]=3 193 B6R0.3 CC[C@H](O)C(=O)O D90822 [2,0,0,0,0,0|1,0,0]=3 194 B6R0.3 CC[C@H](O)C(=O)[O-] S10336 [2,0,0,0,0,0|1,0,1]=4 195 B6R0.3 CC[C@H](O)C(=O)[O-] S10400 [2,0,0,0,0,0|1,0,1]=4 196 B6R0.3 CN[C@@H](C)C(=O)O 28475 [2,0,0,0,0,0|2,0,0]=4 197 B6R0.3 CN[C@@H](C)C(=O)O FD21004 [2,0,0,0,0,0|2,0,0]=4 198 B6R0.3 CN[C@@H](C)C(=O)O FD21006 [2,0,0,0,0,0|2,0,0]=4 199 B6R0.3 COC(C)C(C)O 78000 [2,0,0,0,0,0|2,0,0]=4 200 B6R0.3 CO[C@@H](C)C(=O)O 25435 [2,0,0,0,0,0|2,0,0]=4 201 B6R0.3 CO[C@@H](C)C(=O)O 77786 [2,0,0,0,0,0|2,0,0]=4 202 B6R0.3 CO[C@@H](C)C(=O)O CS1158 [2,0,0,0,0,0|2,0,0]=4 203 B6R0.3 C[C@@H](CBr)C(=O)O A10794 [2,0,0,0,0,0|2,0,0]=4 204 B6R0.3 C[C@@H](CN)C(=O)O 22851 [2,0,0,0,0,0|2,0,0]=4 205 B6R0.3 C[C@@H](CN)C(=O)O 52204 [2,0,0,0,0,0|2,0,0]=4 206 B6R0.3 C[C@@H](CS)C(=O)O D91461 [2,0,0,0,0,0|2,0,0]=4 207 B6R0.3 C[C@H](O)[C@@H](N)CO 66706 [2,0,0,0,0,0|1,0,1]=4 208 B6R0.3 C[C@H](O)[C@@H](N)CO F11954 [2,0,0,0,0,0|1,0,1]=4 209 B6R0.3 NC(=O)[C@@H](N)CO 71065 [2,0,0,0,0,0|2,0,0]=4 210 B6R0.3 NC(=O)[C@@H](N)CO FD3061 [2,0,0,0,0,0|2,0,0]=4 211 B6R0.3 NC[C@H](N)C(=O)O 22838 [2,0,0,0,0,0|1,0,0]=3 212 B6R0.3 NC[C@H](N)C(=O)O 51944 [2,0,0,0,0,0|1,0,0]=3 213 B6R0.3 NC[C@H](N)C(=O)O 51945 [2,0,0,0,0,0|1,0,0]=3 214 B6R0.3 NC[C@H](N)C(=O)O FD1046 [2,0,0,0,0,0|1,0,0]=3 215 B6R0.3 NC[C@H](O)C(=O)O 50049 [2,0,0,0,0,0|2,0,0]=4 216 B6R0.3 NC[C@H](O)C(=O)O C10711 [2,0,0,0,0,0|2,0,0]=4 217 B6R0.3 N[C@@H](CCl)C(=O)O 77992 [2,0,0,0,0,0|1,0,0]=3 218 B6R0.3 N[C@@H](CCl)C(=O)O F11547 [2,0,0,0,0,0|1,0,0]=3 219 B6R0.3 N[C@@H](CCl)C(=O)O FD21123 [2,0,0,0,0,0|1,0,0]=3 220 B6R0.3 N[C@@H](CO)C(=O)O 29580 [2,0,0,0,0,0|1,0,0]=3 221 B6R0.3 N[C@@H](CO)C(=O)O 30744 [2,0,0,0,0,0|1,0,0]=3 222 B6R0.3 N[C@@H](CO)C(=O)O D70822 [2,0,0,0,0,0|1,0,0]=3 223 B6R0.3 N[C@@H](CS)C(=O)O 22868 [2,0,0,0,0,0|1,0,0]=3 224 B6R0.3 N[C@@H](CS)C(=O)O 24506 [2,0,0,0,0,0|1,0,0]=3 225 B6R0.3 N[C@@H](CS)C(=O)O 37900 [2,0,0,0,0,0|1,0,0]=3 226 B6R0.3 N[C@@H](CS)C(=O)O AC8040 [2,0,0,0,0,0|1,0,0]=3 227 B6R0.3 N[C@@H](CS)C(=O)O E72644 [2,0,0,0,0,0|1,0,0]=3 228 B6R0.3 N[C@@H](CS)C(=O)O FD21265 [2,0,0,0,0,0|1,0,0]=3 229 B6R0.3 N[C@@H](CS)C(=O)O FD21267 [2,0,0,0,0,0|1,0,0]=3 230 B6R0.3 N[C@@H](CS)C(=O)O FD21272 [2,0,0,0,0,0|1,0,0]=3 231 B6R0.3 N[C@@H](CS)C(=O)O FD3010 [2,0,0,0,0,0|1,0,0]=3 232 B6R0.3 O=C(O)[C@@H](Br)CBr O10565 [2,0,0,0,0,0|2,0,0]=4 233 B6R0.3 O=C(O)[C@@H](Br)CO AB10178 [2,0,0,0,0,0|2,0,0]=4 234 B6R0.3 O=C(O)[C@@H](Cl)CCl D89648 [2,0,0,0,0,0|2,0,0]=4 235 B6R0.3 O=C(O)[C@@H](O)CO A51166 [2,0,0,0,0,0|2,0,0]=4 236 B8R0.5 CCOC(=O)CC(=O)O F20358 [1,1,0,0,0,0|1,0,1]=4 237 B8R0.5 CCS[C@@H](C)CC(=O)O D80779 [1,1,0,0,0,0|0,0,0]=2 238 B8R0.16 CCN(CC)CC(=O)O D82173 [1,1,0,0,0,0|1,0,0]=3 239 B8R0.16 CCN(CC)CC(=O)[O-] D72528 [1,1,0,0,0,0|1,0,1]=4 240 B8R0.16 COC(CC(C)=O)OC D72464 [1,1,0,0,0,0|2,0,0]=4 241 B8R0.19 CCC(=O)CC(=O)OC AC7866 [1,1,0,0,0,0|1,0,1]=4 242 B8R0.23 CC(=O)N(C)CC(=O)O AB22763 [1,1,0,0,0,0|1,0,1]=4 243 B8R0.23 CC(=O)[C@@H](C)CC(=O)O T72797 [1,1,0,0,0,0|0,0,1]=3 244 B8R0.23 CC(C)[C@@H](N)CC(=O)O 28879 [1,1,0,0,0,0|1,0,0]=3 245 B8R0.23 CC(C)[C@@H](N)CC(=O)O 62352 [1,1,0,0,0,0|1,0,0]=3 246 B8R0.23 CC(C)[C@@H](N)CC(=O)O 62354 [1,1,0,0,0,0|1,0,0]=3 247 B8R0.23 C[C@@H](CC(=O)O)C(=O)O 65400 [1,1,0,0,0,0|1,0,1]=4 248 B8R0.23 C[C@@H](CC(=O)O)C(=O)O 65402 [1,1,0,0,0,0|1,0,1]=4 249 B8R0.23 C[C@@H](CC(=O)O)C(=O)O H11814 [1,1,0,0,0,0|1,0,1]=4 250 B8R0.23 C[C@H](O)[C@@H](N)CC(=O)O 25533 [1,1,0,0,0,0|1,0,0]=3 251 B8R0.34 CCC(C)(C)CC(=O)O D93429 [1,1,0,0,0,0|0,0,0]=2 252 B8R0.34 CC[C@](C)(O)CC(=O)O D90920 [1,1,0,0,0,0|0,0,0]=2 253 B8R0.34 CSC(C)(C)CC(C)=O D95281 [1,1,0,0,0,0|2,0,0]=4 254 B8R0.3 CCC[C@H](C)C(=O)OC D92993 [1,1,0,0,0,0|1,0,0]=3 255 B8R0.3 CCC[C@H](N)C(=O)OC 64049 [1,1,0,0,0,0|0,0,0]=2 256 B8R0.3 CCC[C@H](N)C(=O)OC D83467 [1,1,0,0,0,0|0,0,0]=2 257 B8R0.3 COC(=O)[C@@H](Br)CCBr 61732 [1,1,0,0,0,0|2,0,0]=4 258 B8R0.3 COC(=O)[C@@H](C)CCCl D89391 [1,1,0,0,0,0|2,0,0]=4 259 B8R0.3 COC[C@H](Br)C(=O)OC A10668 [1,1,0,0,0,0|2,0,0]=4 260 B8R0.8 CCCC[C@H](Br)C(=O)O H11951 [1,1,0,0,0,0|1,0,0]=3 261 B8R0.8 CCCC[C@H](C)C(=O)O D91409 [1,1,0,0,0,0|1,0,0]=3 262 B8R0.8 CCCC[C@H](N)C(=O)O 73275 [1,1,0,0,0,0|0,0,0]=2 263 B8R0.8 CCCC[C@H](N)C(=O)O FD3031 [1,1,0,0,0,0|0,0,0]=2 264 B8R0.8 CCCC[C@H](N)C(=O)O FD3085 [1,1,0,0,0,0|0,0,0]=2 265 B8R0.8 CSCCC(O)C(=O)[O-] A51087 [1,1,0,0,0,0|1,0,1]=4 266 B8R0.8 CSCC[C@H](N)C(=O)O 30742 [1,1,0,0,0,0|0,0,0]=2 267 B8R0.8 CSCC[C@H](N)C(=O)O D70895 [1,1,0,0,0,0|0,0,0]=2 268 B8R0.8 CSCC[C@H](N)C(=O)O D72471 [1,1,0,0,0,0|0,0,0]=2 269 B8R0.8 CSCC[C@H](N)C(=O)[O-] D70450 [1,1,0,0,0,0|0,0,1]=3 270 B8R0.8 CSCC[C@H](N)C(N)=O F10669 [1,1,0,0,0,0|1,0,0]=3 271 B8R0.8 CSCC[C@H](O)C(=O)O H11809 [1,1,0,0,0,0|1,0,0]=3 272 B8R0.8 C[Se]CC[C@H](N)C(=O)O D92258 [1,1,0,0,0,0|0,0,0]=2 273 B8R0.8 NCCC[C@H](N)C(=O)O 28202 [1,1,0,0,0,0|0,0,0]=2 274 B8R0.8 NCCC[C@H](N)C(=O)O 28697 [1,1,0,0,0,0|0,0,0]=2 275 B8R0.8 NCCC[C@H](N)C(=O)O AC1496 [1,1,0,0,0,0|0,0,0]=2 276 B8R0.8 NCCC[C@H](N)C(=O)O D70545 [1,1,0,0,0,0|0,0,0]=2 277 B8R0.8 NCCC[C@H](N)C(=O)O D91796 [1,1,0,0,0,0|0,0,0]=2 278 B8R0.8 NCCC[C@H](N)C(=O)O F17224 [1,1,0,0,0,0|0,0,0]=2 279 B8R0.12 CCOC(C)(C)C(=O)O 28332 [1,1,0,0,0,0|2,0,0]=4 280 B8R0.18 CN[C@H](C(=O)O)C(C)C 78310 [1,1,0,0,0,0|0,0,0]=2 281 B8R0.18 CN[C@H](C(=O)O)C(C)C C10356 [1,1,0,0,0,0|0,0,0]=2 282 B8R0.18 CN[C@H](C(=O)O)C(C)C C73626 [1,1,0,0,0,0|0,0,0]=2 283 B8R0.27 CC(C)(C)C(=O)C(=O)O SC1212 [1,1,0,0,0,0|1,0,1]=4 284 B8R0.27 CC(C)(C)[C@H](N)C(=O)O 27215 [1,1,0,0,0,0|0,0,0]=2 285 B8R0.27 CC(C)(C)[C@H](N)C(=O)O 63540 [1,1,0,0,0,0|0,0,0]=2 286 B8R0.27 CC(C)(C)[C@H](N)C(=O)O 63542 [1,1,0,0,0,0|0,0,0]=2 287 B8R0.27 CC(C)(C)[C@H](N)C(N)=O F14387 [1,1,0,0,0,0|1,0,0]=3 288 B8R0.27 CC(C)(S)[C@H](N)C(=O)O C11446 [1,1,0,0,0,0|0,0,0]=2 289 B8R0.27 CC(C)(S)[C@H](N)C(=O)O P15236 [1,1,0,0,0,0|0,0,0]=2 290 B8R0.27 N[C@H](C(=O)O)C(F)(F)F N12407 [1,1,0,0,0,0|2,0,0]=4 291 B8R0.37 CC(C)[C@](C)(N)C(=O)O D94633 [1,1,0,0,0,0|0,0,0]=2 292 B8R0.37 CC(C)[C@](C)(N)C(=O)O F15062 [1,1,0,0,0,0|0,0,0]=2 293 B8R0.37 CC(C)[C@](C)(N)C(N)=O O10642 [1,1,0,0,0,0|1,0,0]=3 294 B10R0.35 CCOC(=O)[C@@H](N)[C@@H](C)CC FD21806 [0,2,0,0,0,0|0,0,0]=2 295 B10R0.38 COC(=O)[C@@H](Br)C(OC)OC D80663 [0,2,0,0,0,0|2,0,0]=4 296 B10R0.38 COC(=O)[C@@H](C)C(OC)OC 74804 [0,2,0,0,0,0|2,0,0]=4 297 B10R0.94 CC[C@@H](C(=O)O)N(CC)CC W18570 [0,2,0,0,0,0|2,0,0]=4 298 B8R1.1 CC[C@H]1CCC(=O)O1 AC2069 [1,0,0,1,0,0|2,0,0]=4 299 B8R1.1 O=C1OC[C@H](CO)O1 S12081 [1,0,0,1,0,0|2,0,0]=4 300 B8R1.4 CN1CCCC(=O)C1 25967 [1,0,0,1,0,0|2,0,0]=4 301 B8R1.4 CN1CCNC(=O)C1 23552 [1,0,0,1,0,0|2,0,0]=4 302 B8R1.4 CN1CCOC(=O)C1 70849 [1,0,0,1,0,0|1,0,0]=3 303 B8R1.4 C[C@H]1CC(=O)CCN1 55931 [1,0,0,1,0,0|2,0,0]=4 304 B8R1.4 C[C@H]1CCCC(=O)C1 33413 [1,0,0,1,0,0|1,0,0]=3 305 B8R1.4 C[C@H]1CCCC(=O)N1 P10077 [1,0,0,1,0,0|2,0,0]=4 306 B8R1.4 C[C@H]1CCCC(=O)O1 D90945 [1,0,0,1,0,0|2,0,0]=4 307 B8R1.4 N[C@H]1CCNC(=O)C1 28187 [1,0,0,1,0,0|2,0,0]=4 308 B8R1.4 N[C@H]1CCNC(=O)C1 62308 [1,0,0,1,0,0|2,0,0]=4 309 B8R1.4 O=C1C[C@@H](O)CCN1 68726 [1,0,0,1,0,0|2,0,0]=4 310 B8R1.18 C[C@H]1CC(=O)OC1=O C10641 [1,0,0,1,0,0|1,0,1]=4 311 B8R1.34 O=C(O)C=C1CCC1 37801 [1,0,0,1,0,0|0,0,2]=4 312 B8R1.34 O=C(O)CC1CCC1 AB3606 [1,0,0,1,0,0|0,0,0]=2 313 B8R1.51 C[C@H]1CCS(=O)(=O)C1 F14688 [1,0,0,1,0,0|1,0,1]=4 314 B8R1.5 C[C@H]1CCCNC1=O P10093 [1,0,0,1,0,0|2,0,0]=4 315 B8R1.5 NC1CCCCC1O AB10042 [1,0,0,1,0,0|1,0,1]=4 316 B8R1.5 N[C@@H]1CCCC[C@@H]1O 67886 [1,0,0,1,0,0|1,0,1]=4 317 B8R1.5 N[C@@H]1CCCC[C@@H]1O 67887 [1,0,0,1,0,0|1,0,1]=4 318 B8R1.5 N[C@@H]1CCCC[C@@H]1O A51241 [1,0,0,1,0,0|1,0,1]=4 319 B8R1.5 N[C@H]1CCCC[C@@H]1O 22869 [1,0,0,1,0,0|1,0,1]=4 320 B8R1.5 N[C@H]1CCCC[C@@H]1O 28325 [1,0,0,1,0,0|1,0,1]=4 321 B8R1.5 N[C@H]1CCCC[C@@H]1O 67740 [1,0,0,1,0,0|1,0,1]=4 322 B8R1.5 N[C@H]1CCCC[C@@H]1O 67741 [1,0,0,1,0,0|1,0,1]=4 323 B8R1.5 N[C@H]1CCCC[C@@H]1O 74387 [1,0,0,1,0,0|1,0,1]=4 324 B8R1.5 N[C@H]1CCCC[C@@H]1O H10809 [1,0,0,1,0,0|1,0,1]=4 325 B8R1.5 N[C@H]1CCCNC1=O 23329 [1,0,0,1,0,0|1,0,0]=3 326 B8R1.5 N[C@H]1CCCNC1=O 27952 [1,0,0,1,0,0|1,0,0]=3 327 B8R1.5 N[C@H]1CCCNC1=O 51547 [1,0,0,1,0,0|1,0,0]=3 328 B8R1.5 O=C1CCCC[C@@H]1Br 67635 [1,0,0,1,0,0|2,0,0]=4 329 B8R1.5 O=C1CCCC[C@@H]1Cl AC1582 [1,0,0,1,0,0|2,0,0]=4 330 B8R1.5 O=C1CCCC[C@@H]1F W17462 [1,0,0,1,0,0|2,0,0]=4 331 B8R1.7 CC(=O)C1CCCC1 83754 [1,0,0,1,0,0|2,0,0]=4 332 B8R1.7 NC(=O)C1CCCC1 20928 [1,0,0,1,0,0|2,0,0]=4 333 B8R1.7 NC(=O)[C@@H]1CCCN1 59577 [1,0,0,1,0,0|1,0,0]=3 334 B8R1.7 NC(=O)[C@@H]1CCCN1 59579 [1,0,0,1,0,0|1,0,0]=3 335 B8R1.7 NC(=O)[C@@H]1CCCN1 59581 [1,0,0,1,0,0|1,0,0]=3 336 B8R1.7 NC(=O)[C@@H]1CCCN1 AC8100 [1,0,0,1,0,0|1,0,0]=3 337 B8R1.7 NC(=O)[C@@H]1CCCN1 F10562 [1,0,0,1,0,0|1,0,0]=3 338 B8R1.7 NC(=O)[C@@H]1CCCN1 P10052 [1,0,0,1,0,0|1,0,0]=3 339 B8R1.7 NC(=O)[C@@H]1CCCO1 30997 [1,0,0,1,0,0|2,0,0]=4 340 B8R1.7 O=C(Cl)C1CCCC1 D89509 [1,0,0,1,0,0|2,0,0]=4 341 B8R1.7 O=C(O)C1=CCCC1 C10074 [1,0,0,1,0,0|1,0,1]=4 342 B8R1.7 O=C(O)C1CCCC1 34069 [1,0,0,1,0,0|1,0,0]=3 343 B8R1.7 O=C(O)[C@@H]1C=CCN1 60104 [1,0,0,1,0,0|0,0,2]=4 344 B8R1.7 O=C(O)[C@@H]1C=CCN1 60105 [1,0,0,1,0,0|0,0,2]=4 345 B8R1.7 O=C(O)[C@@H]1CCCN1 30759 [1,0,0,1,0,0|0,0,0]=2 346 B8R1.7 O=C(O)[C@@H]1CCCN1 69586 [1,0,0,1,0,0|0,0,0]=2 347 B8R1.7 O=C(O)[C@@H]1CCCN1 P17692 [1,0,0,1,0,0|0,0,0]=2 348 B8R1.7 O=C(O)[C@@H]1CCCO1 30805 [1,0,0,1,0,0|1,0,0]=3 349 B8R1.7 O=C(O)[C@@H]1CCCO1 66521 [1,0,0,1,0,0|1,0,0]=3 350 B8R1.7 O=C(O)[C@@H]1CCCO1 74188 [1,0,0,1,0,0|1,0,0]=3 351 B8R1.7 O=C(O)[C@@H]1CCCS1 72166 [1,0,0,1,0,0|1,0,0]=3 352 B8R1.7 O=C(O)[C@@H]1CSCN1 26064 [1,0,0,1,0,0|1,0,0]=3 353 B8R1.7 O=C(O)[C@@H]1CSCN1 D97373 [1,0,0,1,0,0|1,0,0]=3 354 B8R1.7 O=C(O)[C@@H]1CSCN1 O10231 [1,0,0,1,0,0|1,0,0]=3 355 B8R1.7 O=C(O)[C@H]1CCNC1 27256 [1,0,0,1,0,0|2,0,0]=4 356 B8R1.7 O=C(O)[C@H]1CCNC1 65300 [1,0,0,1,0,0|2,0,0]=4 357 B8R1.7 O=C(O)[C@H]1CCNC1 65301 [1,0,0,1,0,0|2,0,0]=4 358 B8R1.7 O=C(O)[C@H]1CCNC1 65434 [1,0,0,1,0,0|2,0,0]=4 359 B8R1.7 O=C(O)[C@H]1CCOC1 66518 [1,0,0,1,0,0|2,0,0]=4 360 B8R1.7 O=C(O)[C@H]1NCCS1 F10465 [1,0,0,1,0,0|1,0,0]=3 361 B8R1.23 CC1CC(C(=O)O)C1 84166 [1,0,0,1,0,0|1,0,0]=3 362 B8R1.23 CN1CC(C(=O)O)C1 26233 [1,0,0,1,0,0|2,0,0]=4 363 B8R1.23 O=C(O)C1CC(Cl)C1 P10434 [1,0,0,1,0,0|2,0,0]=4 364 B8R1.23 O=C(O)C1CC(O)C1 25649 [1,0,0,1,0,0|2,0,0]=4 365 B8R1.23 O=C(O)[C@H]1C[C@@H](O)C1 38898 [1,0,0,1,0,0|2,0,0]=4 366 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 P12186 [1,0,0,1,0,0|2,0,0]=4 367 B8R1.23 O=C1C[C@@H](C(=O)O)N1 31388 [1,0,0,1,0,0|1,0,1]=4 368 B8R1.54 N[C@H](C(=O)O)C1CC1 59336 [1,0,0,1,0,0|0,0,0]=2 369 B8R1.54 N[C@H](C(=O)O)C1CC1 83153 [1,0,0,1,0,0|0,0,0]=2 370 B8R1.54 O=C(O)C(=O)C1CC1 36361 [1,0,0,1,0,0|1,0,1]=4 371 B8R1.78 CC1(C(=O)O)CCC1 26919 [1,0,0,1,0,0|1,0,0]=3 372 B8R1.78 CC1(C(=O)O)CNC1 P16026 [1,0,0,1,0,0|2,0,0]=4 373 B8R1.78 CC1(C(=O)O)COC1 52949 [1,0,0,1,0,0|2,0,0]=4 374 B8R1.78 NC1(C(=O)O)CCC1 55032 [1,0,0,1,0,0|0,0,0]=2 375 B8R1.78 NC1(C(=O)O)CCC1 67754 [1,0,0,1,0,0|0,0,0]=2 376 B8R1.78 NC1(C(=O)O)COC1 67330 [1,0,0,1,0,0|1,0,0]=3 377 B8R1.78 O=C(O)C1(Br)CCC1 CL4587 [1,0,0,1,0,0|1,0,0]=3 378 B8R1.50 C[C@H]1CCC(=O)N1C D86499 [1,0,0,1,0,0|2,0,0]=4 379 B8R1.77 CC1(C)CC1C(N)=O 60322 [1,0,0,1,0,0|2,0,0]=4 380 B8R1.77 CC1(C)C[C@@H]1C(=O)O CL4550 [1,0,0,1,0,0|1,0,0]=3 381 B8R1.77 CC1(C)C[C@@H]1C(=O)O P17495 [1,0,0,1,0,0|1,0,0]=3 382 B8R1.77 CC1(C)C[C@@H]1C(N)=O 36676 [1,0,0,1,0,0|2,0,0]=4 383 B10R1.113 CC1CCCC(C(=O)O)N1 D81681 [0,0,0,1,0,1|1,0,0]=3 384 B10R1.113 CN1CCC[C@H](C(=O)O)C1 29837 [0,0,0,1,0,1|2,0,0]=4 385 B10R1.113 CN1CCC[C@H](C(=O)O)C1 AB1542 [0,0,0,1,0,1|2,0,0]=4 386 B10R1.113 NC1CCCC(C(=O)O)C1 O10942 [0,0,0,1,0,1|2,0,0]=4 387 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 P11018 [0,0,0,1,0,1|2,0,0]=4 388 B10R1.204 N[C@@H](CC1CCC1)C(=O)O 59421 [0,0,0,1,0,1|0,0,0]=2 389 B10R1.470 CN1CC[C@](C)(C(=O)O)C1 78872 [0,0,0,1,0,1|2,0,0]=4 390 B10R1.23 C[C@@H](C(=O)O)N1CCCC1 AC3298 [0,1,0,1,0,0|2,0,0]=4 391 B10R1.23 N[C@H](C(=O)O)C1CCCC1 23504 [0,1,0,1,0,0|0,0,0]=2 392 B10R1.23 N[C@H](C(=O)O)C1CCCC1 88067 [0,1,0,1,0,0|0,0,0]=2 393 B10R1.23 N[C@H](C(=O)O)C1CCCC1 88068 [0,1,0,1,0,0|0,0,0]=2 394 B10R1.23 O=C(O)[C@@H](Br)C1CCCC1 P13952 [0,1,0,1,0,0|1,0,0]=3 395 B10R1.34 O=C1O[C@@H](CO)[C@H](O)[C@@H]1O E10111 [0,1,0,1,0,0|2,0,0]=4 396 B10R1.34 O=C1O[C@H](CO)[C@H](O)[C@@H]1O C72911 [0,1,0,1,0,0|2,0,0]=4 397 B10R1.61 CC1NCCCC1C(=O)O C71830 [0,1,0,1,0,0|1,0,0]=3 398 B10R1.61 CN1CCCC[C@H]1C(=O)O 71306 [0,1,0,1,0,0|2,0,0]=4 399 B10R1.61 CN1CCCC[C@H]1C(=O)O W10205 [0,1,0,1,0,0|2,0,0]=4 400 B10R1.61 O=C(O)C1CCCCC1O 26766 [0,1,0,1,0,0|2,0,0]=4 401 B10R1.86 CCCN1CC[C@H]1C(=O)O P15802 [0,1,0,1,0,0|2,0,0]=4 402 B10R1.128 C[N+]1(C)CCC[C@H]1C(=O)O 42937 [0,1,0,1,0,0|2,0,0]=4 403 B10R1.361 CC(C)N1CC[C@H]1C(=O)O 62906 [0,1,0,1,0,0|2,0,0]=4 404 B10R2.179 CC12CCCC(=O)C1O2 63324 [0,0,0,2,0,0|2,0,0]=4 405 B8R0.9 CC(=O)OC[C@H](C)CBr AB6423 [1,0,0,0,0,1|2,0,0]=4 406 B8R0.9 CCC(=O)CCC(=O)O D93322 [1,0,0,0,0,1|1,0,1]=4