0 B7R0.16 CC(=O)C(C)C(C)=O D84195 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.16 CC(=O)C(Cl)C(C)=O D89382 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.16 CC(C(=O)O)C(=O)O AC1639 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.16 CC(C)C(=O)C(=O)O 31009 [0,0,0,0,0,0|2,0,1]=3 4 B7R0.16 CC(C)C(=O)C(=O)[O-] O12076 [0,0,0,0,0,0|2,0,2]=4 5 B7R0.16 CC(C)C(N)C(C)C F19859 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.16 CC(C)C(N)C(C)C O10602 [0,0,0,0,0,0|3,0,1]=4 7 B7R0.16 CC(C)[C@H](Br)C(=O)O A10761 [0,0,0,0,0,0|2,0,0]=2 8 B7R0.16 CC(C)[C@H](Br)C(=O)O FD1208 [0,0,0,0,0,0|2,0,0]=2 9 B7R0.16 CC(C)[C@H](N)C(=O)O AC7511 [0,0,0,0,0,0|1,0,0]=1 10 B7R0.16 CC(C)[C@H](N)C(N)=O 35750 [0,0,0,0,0,0|2,0,0]=2 11 B7R0.16 CC(C)[C@H](N)C(N)=O F14574 [0,0,0,0,0,0|2,0,0]=2 12 B7R0.16 CC(C)[C@H](O)C(=O)O C10550 [0,0,0,0,0,0|2,0,0]=2 13 B7R0.16 CC(C)[C@H](O)C(=O)O F19720 [0,0,0,0,0,0|2,0,0]=2 14 B7R0.16 CC(C)[C@H](O)C(=O)O S12088 [0,0,0,0,0,0|2,0,0]=2 15 B7R0.16 CC(O)C(N)C(=O)O 39304 [0,0,0,0,0,0|0,0,0]=0 16 B7R0.16 CN(C)C(=O)C(=O)O 70322 [0,0,0,0,0,0|3,0,1]=4 17 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O 73726 [0,0,0,0,0,0|0,0,0]=0 18 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O AC7878 [0,0,0,0,0,0|0,0,0]=0 19 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O D95822 [0,0,0,0,0,0|0,0,0]=0 20 B7R0.16 C[C@@H](O)[C@H](N)C(N)=O AC8031 [0,0,0,0,0,0|1,0,0]=1 21 B7R0.16 C[C@H](O)[C@H](N)C(=O)O 20600 [0,0,0,0,0,0|0,0,0]=0 22 B7R0.16 C[C@H](O)[C@H](N)C(=O)O CX1250 [0,0,0,0,0,0|0,0,0]=0 23 B7R0.16 NC(=O)C(N)C(N)=O 23233 [0,0,0,0,0,0|2,0,2]=4 24 B7R0.16 NC(C(=O)O)C(=O)O F20577 [0,0,0,0,0,0|1,0,1]=2 25 B7R0.16 O=C(O)C(=O)C(Br)Br O10902 [0,0,0,0,0,0|3,0,1]=4 26 B6R0.2 CC(=O)NC(C)C N12028 [1,0,0,0,0,0|3,0,0]=4 27 B6R0.2 CC(=O)O[C@H](C)Br 39292 [1,0,0,0,0,0|3,0,0]=4 28 B6R0.2 CC(C)=CC(=O)O D78089 [1,0,0,0,0,0|1,0,2]=4 29 B6R0.2 CC(C)CB(O)O 33194 [1,0,0,0,0,0|2,0,1]=4 30 B6R0.2 CC(C)CC(=O)O D78213 [1,0,0,0,0,0|1,0,0]=2 31 B6R0.2 CC(C)OC(N)=O D81825 [1,0,0,0,0,0|3,0,0]=4 32 B6R0.2 CC(O)CC(C)O D91996 [1,0,0,0,0,0|1,0,1]=3 33 B6R0.2 CN(C)CC(=O)Cl A50815 [1,0,0,0,0,0|3,0,0]=4 34 B6R0.2 CN(C)CC(=O)O 28781 [1,0,0,0,0,0|2,0,0]=3 35 B6R0.2 CN(C)CC(=O)O 73674 [1,0,0,0,0,0|2,0,0]=3 36 B6R0.2 C[C@H](Cl)CC(=O)Cl AC1766 [1,0,0,0,0,0|2,0,0]=3 37 B6R0.2 C[C@H](Cl)CC(=O)O D89206 [1,0,0,0,0,0|1,0,0]=2 38 B6R0.2 C[C@H](Cl)OC(=O)Cl D78332 [1,0,0,0,0,0|3,0,0]=4 39 B6R0.2 C[C@H](N)CC(=O)O 62356 [1,0,0,0,0,0|1,0,0]=2 40 B6R0.2 C[C@H](N)CC(=O)O 62357 [1,0,0,0,0,0|1,0,0]=2 41 B6R0.2 C[C@H](N)CC(=O)O 62358 [1,0,0,0,0,0|1,0,0]=2 42 B6R0.2 C[C@H](N)CC(=O)O 62359 [1,0,0,0,0,0|1,0,0]=2 43 B6R0.2 C[C@H](N)CC(=O)O 62363 [1,0,0,0,0,0|1,0,0]=2 44 B6R0.2 C[C@H](O)CC(=O)O D84191 [1,0,0,0,0,0|0,0,0]=1 45 B6R0.2 C[C@H](O)CC(=O)O O10175 [1,0,0,0,0,0|0,0,0]=1 46 B6R0.2 C[C@H](O)CC(=O)[O-] 23392 [1,0,0,0,0,0|0,0,1]=2 47 B6R0.2 C[C@H](O)CC(=O)[O-] H10236 [1,0,0,0,0,0|0,0,1]=2 48 B6R0.2 C[C@H](O)CN(C)C D93027 [1,0,0,0,0,0|3,0,0]=4 49 B6R0.2 C[C@H](O)C[C@H](C)O 73920 [1,0,0,0,0,0|1,0,1]=3 50 B6R0.2 C[C@H](O)C[C@H](C)O D74604 [1,0,0,0,0,0|1,0,1]=3 51 B6R0.2 C[C@H](O)C[C@H](C)O T72451 [1,0,0,0,0,0|1,0,1]=3 52 B6R0.2 O=C(O)CC(=O)O AC8295 [1,0,0,0,0,0|1,0,1]=3 53 B6R0.3 CC(C)[C@@H](N)CO 23132 [1,0,0,0,0,0|1,0,1]=3 54 B6R0.3 CC(C)[C@@H](N)CO 39407 [1,0,0,0,0,0|1,0,1]=3 55 B6R0.3 CC(C)[C@@H](N)CO A10466 [1,0,0,0,0,0|1,0,1]=3 56 B6R0.3 CC(C)\C(N)=N\O 71215 [1,0,0,0,0,0|2,0,1]=4 57 B6R0.3 CCC(=O)C(=O)O O10846 [1,0,0,0,0,0|1,0,1]=3 58 B6R0.3 CCC(=O)C(=O)[O-] TD8090 [1,0,0,0,0,0|1,0,2]=4 59 B6R0.3 CCC(O)C(C)O D93064 [1,0,0,0,0,0|2,0,1]=4 60 B6R0.3 CCN(C)C(=O)Cl F20387 [1,0,0,0,0,0|3,0,0]=4 61 B6R0.3 CC[C@H](Br)C(=O)Br D88666 [1,0,0,0,0,0|2,0,0]=3 62 B6R0.3 CC[C@H](Br)C(=O)Cl D89047 [1,0,0,0,0,0|2,0,0]=3 63 B6R0.3 CC[C@H](Br)C(=O)O P18633 [1,0,0,0,0,0|1,0,0]=2 64 B6R0.3 CC[C@H](Br)C(=O)O P18634 [1,0,0,0,0,0|1,0,0]=2 65 B6R0.3 CC[C@H](Br)C(N)=O F30757 [1,0,0,0,0,0|2,0,0]=3 66 B6R0.3 CC[C@H](C)B(O)O 33152 [1,0,0,0,0,0|2,0,1]=4 67 B6R0.3 CC[C@H](C)C(=O)O 88657 [1,0,0,0,0,0|1,0,0]=2 68 B6R0.3 CC[C@H](C)C(=O)O 88663 [1,0,0,0,0,0|1,0,0]=2 69 B6R0.3 CC[C@H](Cl)C(=O)O D89205 [1,0,0,0,0,0|1,0,0]=2 70 B6R0.3 CC[C@H](N)C(=O)O 11781 [1,0,0,0,0,0|0,0,0]=1 71 B6R0.3 CC[C@H](N)C(=O)O 23105 [1,0,0,0,0,0|0,0,0]=1 72 B6R0.3 CC[C@H](N)C(=O)O 25309 [1,0,0,0,0,0|0,0,0]=1 73 B6R0.3 CC[C@H](N)C(=O)O 80046 [1,0,0,0,0,0|0,0,0]=1 74 B6R0.3 CC[C@H](N)C(N)=O F11533 [1,0,0,0,0,0|1,0,0]=2 75 B6R0.3 CC[C@H](N)[C@@H](C)O D79477 [1,0,0,0,0,0|1,0,1]=3 76 B6R0.3 CC[C@H](O)C(=O)O 24676 [1,0,0,0,0,0|1,0,0]=2 77 B6R0.3 CC[C@H](O)C(=O)O A11368 [1,0,0,0,0,0|1,0,0]=2 78 B6R0.3 CC[C@H](O)C(=O)O D90822 [1,0,0,0,0,0|1,0,0]=2 79 B6R0.3 CC[C@H](O)C(=O)[O-] S10336 [1,0,0,0,0,0|1,0,1]=3 80 B6R0.3 CC[C@H](O)C(=O)[O-] S10400 [1,0,0,0,0,0|1,0,1]=3 81 B6R0.3 CNC(=O)C(=O)O W11373 [1,0,0,0,0,0|2,0,1]=4 82 B6R0.3 CN[C@@H](C)C(=O)O 28475 [1,0,0,0,0,0|2,0,0]=3 83 B6R0.3 CN[C@@H](C)C(=O)O FD21004 [1,0,0,0,0,0|2,0,0]=3 84 B6R0.3 CN[C@@H](C)C(=O)O FD21006 [1,0,0,0,0,0|2,0,0]=3 85 B6R0.3 COC(C)C(C)O 78000 [1,0,0,0,0,0|3,0,0]=4 86 B6R0.3 CO[C@@H](C)C(=O)O 25435 [1,0,0,0,0,0|2,0,0]=3 87 B6R0.3 CO[C@@H](C)C(=O)O 77786 [1,0,0,0,0,0|2,0,0]=3 88 B6R0.3 CO[C@@H](C)C(=O)O CS1158 [1,0,0,0,0,0|2,0,0]=3 89 B6R0.3 C[C@@H](CBr)C(=O)O A10794 [1,0,0,0,0,0|2,0,0]=3 90 B6R0.3 C[C@@H](CN)C(=O)O 22851 [1,0,0,0,0,0|2,0,0]=3 91 B6R0.3 C[C@@H](CN)C(=O)O 52204 [1,0,0,0,0,0|2,0,0]=3 92 B6R0.3 C[C@@H](CS)C(=O)O D91461 [1,0,0,0,0,0|1,1,0]=3 93 B6R0.3 C[C@H](O)[C@@H](N)CO 66706 [1,0,0,0,0,0|0,0,1]=2 94 B6R0.3 C[C@H](O)[C@@H](N)CO F11954 [1,0,0,0,0,0|0,0,1]=2 95 B6R0.3 C\C=C(/C)C(=O)O D78012 [1,0,0,0,0,0|1,0,2]=4 96 B6R0.3 C\C=C(\C)C(=O)O 11732 [1,0,0,0,0,0|1,0,2]=4 97 B6R0.3 N#C[C@@H](N)C(N)=O 51081 [1,0,0,0,0,0|2,0,1]=4 98 B6R0.3 NC(=O)[C@@H](Br)CBr D95258 [1,0,0,0,0,0|3,0,0]=4 99 B6R0.3 NC(=O)[C@@H](Cl)CCl D89971 [1,0,0,0,0,0|3,0,0]=4 100 B6R0.3 NC(=O)[C@@H](N)CO 71065 [1,0,0,0,0,0|1,0,0]=2 101 B6R0.3 NC(=O)[C@@H](N)CO FD3061 [1,0,0,0,0,0|1,0,0]=2 102 B6R0.3 NC[C@H](N)C(=O)O 22838 [1,0,0,0,0,0|1,0,0]=2 103 B6R0.3 NC[C@H](N)C(=O)O 51944 [1,0,0,0,0,0|1,0,0]=2 104 B6R0.3 NC[C@H](N)C(=O)O 51945 [1,0,0,0,0,0|1,0,0]=2 105 B6R0.3 NC[C@H](N)C(=O)O FD1046 [1,0,0,0,0,0|1,0,0]=2 106 B6R0.3 NC[C@H](O)C(=O)O 50049 [1,0,0,0,0,0|2,0,0]=3 107 B6R0.3 NC[C@H](O)C(=O)O C10711 [1,0,0,0,0,0|2,0,0]=3 108 B6R0.3 N[C@@H](CCl)C(=O)O 77992 [1,0,0,0,0,0|1,0,0]=2 109 B6R0.3 N[C@@H](CCl)C(=O)O F11547 [1,0,0,0,0,0|1,0,0]=2 110 B6R0.3 N[C@@H](CCl)C(=O)O FD21123 [1,0,0,0,0,0|1,0,0]=2 111 B6R0.3 N[C@@H](CO)C(=O)O 29580 [1,0,0,0,0,0|0,0,0]=1 112 B6R0.3 N[C@@H](CO)C(=O)O 30744 [1,0,0,0,0,0|0,0,0]=1 113 B6R0.3 N[C@@H](CO)C(=O)O D70822 [1,0,0,0,0,0|0,0,0]=1 114 B6R0.3 N[C@@H](CS)C(=O)O 22868 [1,0,0,0,0,0|0,1,0]=2 115 B6R0.3 N[C@@H](CS)C(=O)O 24506 [1,0,0,0,0,0|0,1,0]=2 116 B6R0.3 N[C@@H](CS)C(=O)O 37900 [1,0,0,0,0,0|0,1,0]=2 117 B6R0.3 N[C@@H](CS)C(=O)O AC8040 [1,0,0,0,0,0|0,1,0]=2 118 B6R0.3 N[C@@H](CS)C(=O)O E72644 [1,0,0,0,0,0|0,1,0]=2 119 B6R0.3 N[C@@H](CS)C(=O)O FD21265 [1,0,0,0,0,0|0,1,0]=2 120 B6R0.3 N[C@@H](CS)C(=O)O FD21267 [1,0,0,0,0,0|0,1,0]=2 121 B6R0.3 N[C@@H](CS)C(=O)O FD21272 [1,0,0,0,0,0|0,1,0]=2 122 B6R0.3 N[C@@H](CS)C(=O)O FD3010 [1,0,0,0,0,0|0,1,0]=2 123 B6R0.3 O=C(Cl)[C@@H](Br)CBr D78346 [1,0,0,0,0,0|3,0,0]=4 124 B6R0.3 O=C(O)C(=O)CBr 21724 [1,0,0,0,0,0|2,0,1]=4 125 B6R0.3 O=C(O)[C@@H](Br)CBr O10565 [1,0,0,0,0,0|2,0,0]=3 126 B6R0.3 O=C(O)[C@@H](Br)CO AB10178 [1,0,0,0,0,0|1,0,0]=2 127 B6R0.3 O=C(O)[C@@H](Cl)CCl D89648 [1,0,0,0,0,0|2,0,0]=3 128 B6R0.3 O=C(O)[C@@H](O)CO A51166 [1,0,0,0,0,0|1,0,0]=2 129 B8R0.2 CCC(C)C(N)C(=O)O FD21837 [0,1,0,0,0,0|1,0,0]=2 130 B8R0.2 CCC(C)C(N)C(=O)O FD3037 [0,1,0,0,0,0|1,0,0]=2 131 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O 28632 [0,1,0,0,0,0|1,0,0]=2 132 B8R0.2 CC[C@H](C)C(=O)C(=O)O F16679 [0,1,0,0,0,0|2,0,1]=4 133 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O FD20022 [0,1,0,0,0,0|1,0,0]=2 134 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O FD21838 [0,1,0,0,0,0|1,0,0]=2 135 B8R0.2 CC[C@H](C)[C@H](N)C(N)=O FD21807 [0,1,0,0,0,0|2,0,0]=3 136 B8R0.2 COC(=O)[C@@H](C)C(C)=O AB7549 [0,1,0,0,0,0|1,0,2]=4 137 B8R0.2 COC(=O)[C@@H](Cl)C(C)=O 29073 [0,1,0,0,0,0|1,0,2]=4 138 B8R0.2 COC(=O)[C@@H](N)C(C)C 28580 [0,1,0,0,0,0|1,0,0]=2 139 B8R0.2 COC(=O)[C@@H](N)C(C)C A11398 [0,1,0,0,0,0|1,0,0]=2 140 B8R0.2 COC(=O)[C@@H](N)C(C)C I10617 [0,1,0,0,0,0|1,0,0]=2 141 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O 73270 [0,1,0,0,0,0|0,0,0]=1 142 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O F11506 [0,1,0,0,0,0|0,0,0]=1 143 B8R0.2 COC(=O)[C@@H](N)[C@H](C)O C76545 [0,1,0,0,0,0|0,0,0]=1 144 B8R0.2 COC(=O)[C@@H](N)[C@H](C)O F14482 [0,1,0,0,0,0|0,0,0]=1 145 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O 24109 [0,1,0,0,0,0|0,0,0]=1 146 B8R0.2 O=C([O-])[C@@H](O)[C@@H](O)CO P20477 [0,1,0,0,0,0|1,0,1]=3 147 B8R0.2 O=C([O-])[C@@H](O)[C@H](O)CO 23273 [0,1,0,0,0,0|1,0,1]=3 148 B8R0.2 O=C([O-])[C@@H](O)[C@H](O)CO D70314 [0,1,0,0,0,0|1,0,1]=3 149 B8R0.18 CCC(C(=O)O)C(=O)O AC1600 [0,1,0,0,0,0|2,0,1]=4 150 B8R0.18 CN[C@H](C(=O)O)C(C)C 78310 [0,1,0,0,0,0|1,0,0]=2 151 B8R0.18 CN[C@H](C(=O)O)C(C)C C10356 [0,1,0,0,0,0|1,0,0]=2 152 B8R0.18 CN[C@H](C(=O)O)C(C)C C73626 [0,1,0,0,0,0|1,0,0]=2 153 B8R0.27 CC(C)(C)C(=O)C(=O)O SC1212 [0,1,0,0,0,0|2,0,1]=4 154 B8R0.27 CC(C)(C)[C@H](N)C(=O)O 27215 [0,1,0,0,0,0|1,0,0]=2 155 B8R0.27 CC(C)(C)[C@H](N)C(=O)O 63540 [0,1,0,0,0,0|1,0,0]=2 156 B8R0.27 CC(C)(C)[C@H](N)C(=O)O 63542 [0,1,0,0,0,0|1,0,0]=2 157 B8R0.27 CC(C)(C)[C@H](N)C(N)=O F14387 [0,1,0,0,0,0|2,0,0]=3 158 B8R0.27 CC(C)(S)[C@H](N)C(=O)O C11446 [0,1,0,0,0,0|0,1,0]=2 159 B8R0.27 CC(C)(S)[C@H](N)C(=O)O P15236 [0,1,0,0,0,0|0,1,0]=2 160 B8R0.27 N[C@H](C(=O)O)C(F)(F)F N12407 [0,1,0,0,0,0|2,0,0]=3 161 B8R0.37 CC(C)(C(=O)O)C(=O)O A10735 [0,1,0,0,0,0|2,0,1]=4 162 B8R0.37 CC(C)[C@](C)(N)C(=O)O D94633 [0,1,0,0,0,0|1,0,0]=2 163 B8R0.37 CC(C)[C@](C)(N)C(=O)O F15062 [0,1,0,0,0,0|1,0,0]=2 164 B8R0.37 CC(C)[C@](C)(N)C(N)=O O10642 [0,1,0,0,0,0|2,0,0]=3 165 B8R1.50 CC1=C(O)COC1=O 71338 [0,0,0,1,0,0|1,0,2]=4 166 B8R1.50 CN1C(=O)CC[C@@H]1O 33572 [0,0,0,1,0,0|3,0,0]=4 167 B8R1.50 O=C1COC(=O)[C@H]1Cl D89461 [0,0,0,1,0,0|1,0,2]=4 168 B8R1.50 O=C1OC[C@H](O)[C@@H]1O S11960 [0,0,0,1,0,0|1,0,0]=2 169 B8R1.54 N[C@H](C(=O)O)C1CC1 59336 [0,0,0,1,0,0|1,0,0]=2 170 B8R1.54 N[C@H](C(=O)O)C1CC1 83153 [0,0,0,1,0,0|1,0,0]=2 171 B8R1.54 O=C(O)C(=O)C1CC1 36361 [0,0,0,1,0,0|2,0,1]=4 172 B8R1.77 CC1(C)CC1C(N)=O 60322 [0,0,0,1,0,0|3,0,0]=4 173 B8R1.77 CC1(C)C[C@@H]1C(=O)O CL4550 [0,0,0,1,0,0|2,0,0]=3 174 B8R1.77 CC1(C)C[C@@H]1C(=O)O P17495 [0,0,0,1,0,0|2,0,0]=3 175 B8R1.77 CC1(C)C[C@@H]1C(N)=O 36676 [0,0,0,1,0,0|3,0,0]=4 176 B8R1.77 O=C(O)[C@H]1CC1(F)F 71486 [0,0,0,1,0,0|3,0,0]=4 177 B8R0.23 C=C(Br)C[C@H](N)C(=O)O D97319 [0,0,0,0,0,1|1,0,2]=4 178 B8R0.23 CC(=O)C[C@H](C)C(=O)O P10084 [0,0,0,0,0,1|1,0,2]=4 179 B8R0.23 CC(=O)N[C@@H](C)C(=O)O FD21035 [0,0,0,0,0,1|1,0,2]=4 180 B8R0.23 CC(=O)N[C@@H](C)C(=O)O FD21049 [0,0,0,0,0,1|1,0,2]=4 181 B8R0.23 CC(=O)N[C@@H](C)C(=O)O FD21057 [0,0,0,0,0,1|1,0,2]=4 182 B8R0.23 CC(=O)O[C@@H](C)C(=O)O 50550 [0,0,0,0,0,1|1,0,2]=4 183 B8R0.23 CC(=O)O[C@@H](C)C(=O)O D88540 [0,0,0,0,0,1|1,0,2]=4 184 B8R0.23 CC(=O)[C@@H](C)CC(=O)O T72797 [0,0,0,0,0,1|1,0,2]=4 185 B8R0.23 CC(C)CC(=O)C(=O)O D82408 [0,0,0,0,0,1|2,0,1]=4 186 B8R0.23 CC(C)C[C@H](Br)C(=O)O 36197 [0,0,0,0,0,1|2,0,0]=3 187 B8R0.23 CC(C)C[C@H](Br)C(=O)O C74469 [0,0,0,0,0,1|2,0,0]=3 188 B8R0.23 CC(C)C[C@H](N)C(=O)O 29890 [0,0,0,0,0,1|1,0,0]=2 189 B8R0.23 CC(C)C[C@H](N)C(=O)O AC7886 [0,0,0,0,0,1|1,0,0]=2 190 B8R0.23 CC(C)C[C@H](N)C(N)=O 20044 [0,0,0,0,0,1|2,0,0]=3 191 B8R0.23 CC(C)C[C@H](N)C(N)=O FD21869 [0,0,0,0,0,1|2,0,0]=3 192 B8R0.23 CC(C)C[C@H](N)C(N)=O FD21910 [0,0,0,0,0,1|2,0,0]=3 193 B8R0.23 CC(C)C[C@H](N)C(N)=O FD3059 [0,0,0,0,0,1|2,0,0]=3 194 B8R0.23 CC(C)C[C@H](O)C(=O)O D87748 [0,0,0,0,0,1|2,0,0]=3 195 B8R0.23 CC(C)C[C@H](O)C(=O)O F14883 [0,0,0,0,0,1|2,0,0]=3 196 B8R0.23 CC(C)C[C@H](O)C(=O)O S10037 [0,0,0,0,0,1|2,0,0]=3 197 B8R0.23 CC(C)NC(=O)C(=O)O AC5819 [0,0,0,0,0,1|2,0,1]=4 198 B8R0.23 CC(C)[C@@H](N)CC(=O)O 28879 [0,0,0,0,0,1|1,0,0]=2 199 B8R0.23 CC(C)[C@@H](N)CC(=O)O 62352 [0,0,0,0,0,1|1,0,0]=2 200 B8R0.23 CC(C)[C@@H](N)CC(=O)O 62354 [0,0,0,0,0,1|1,0,0]=2 201 B8R0.23 CS(=O)C[C@H](N)C(=O)O D87103 [0,0,0,0,0,1|1,0,1]=3 202 B8R0.23 C[C@@H](CC(=O)O)C(=O)O 65400 [0,0,0,0,0,1|2,0,1]=4 203 B8R0.23 C[C@@H](CC(=O)O)C(=O)O 65402 [0,0,0,0,0,1|2,0,1]=4 204 B8R0.23 C[C@@H](CC(=O)O)C(=O)O H11814 [0,0,0,0,0,1|2,0,1]=4 205 B8R0.23 C[C@H](O)[C@@H](N)CC(=O)O 25533 [0,0,0,0,0,1|0,0,0]=1 206 B8R0.23 C\C(=C/C(C)C)C(=O)O D83819 [0,0,0,0,0,1|2,0,1]=4 207 B8R0.23 NC(=O)C[C@H](N)C(=O)O 20146 [0,0,0,0,0,1|1,0,2]=4 208 B8R0.23 NC(=O)C[C@H](N)C(=O)O 68743 [0,0,0,0,0,1|1,0,2]=4 209 B8R0.23 NC(=O)C[C@H](N)C(=O)O D70834 [0,0,0,0,0,1|1,0,2]=4 210 B8R0.23 NC(=O)C[C@H](N)C(=O)O F10838 [0,0,0,0,0,1|1,0,2]=4 211 B8R0.23 NC(=O)C[C@H](N)C(=O)O FD20027 [0,0,0,0,0,1|1,0,2]=4 212 B8R0.23 N[C@@H](CC(=O)O)C(=O)O 26084 [0,0,0,0,0,1|1,0,1]=3 213 B8R0.23 N[C@@H](CC(=O)O)C(=O)O D70832 [0,0,0,0,0,1|1,0,1]=3 214 B8R0.23 N[C@@H](CC(=O)O)C(=O)O D77793 [0,0,0,0,0,1|1,0,1]=3 215 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] D97789 [0,0,0,0,0,1|1,0,2]=4 216 B8R0.23 O=C(O)C[C@H](Br)C(=O)O 67225 [0,0,0,0,0,1|2,0,1]=4 217 B8R0.23 O=C(O)C[C@H](O)C(=O)O 29313 [0,0,0,0,0,1|2,0,1]=4 218 B8R0.23 O=C(O)C[C@H](O)C(=O)O 68744 [0,0,0,0,0,1|2,0,1]=4 219 B8R0.23 O=C(O)C[C@H](S)C(=O)O D70319 [0,0,0,0,0,1|2,0,1]=4 220 B5R0.1 C#CCC(=O)O F14007 [2,0,0,0,0,0|0,0,2]=4 221 B5R0.1 C=CCC(=O)O H10768 [2,0,0,0,0,0|0,0,2]=4 222 B5R0.1 C=CC[C@H](C)O D92157 [2,0,0,0,0,0|1,0,0]=3 223 B5R0.1 CC#CC(=O)O 66664 [2,0,0,0,0,0|0,0,2]=4 224 B5R0.1 CC(=O)CCCl F20480 [2,0,0,0,0,0|2,0,0]=4 225 B5R0.1 CC(=O)CCO 55787 [2,0,0,0,0,0|1,0,0]=3 226 B5R0.1 CC(=O)NCO FD10622 [2,0,0,0,0,0|2,0,0]=4 227 B5R0.1 CC=C[C@H](C)O D84201 [2,0,0,0,0,0|1,0,1]=4 228 B5R0.1 CCCB(O)O 33060 [2,0,0,0,0,0|1,0,1]=4 229 B5R0.1 CCCC(=N)N W10324 [2,0,0,0,0,0|2,0,0]=4 230 B5R0.1 CCCC(=O)[O-] D84277 [2,0,0,0,0,0|0,0,1]=3 231 B5R0.1 CCCC(N)=O D70204 [2,0,0,0,0,0|1,0,0]=3 232 B5R0.1 CCC[C@H](C)O RB3003 [2,0,0,0,0,0|1,0,1]=4 233 B5R0.1 CCC[C@H](C)O T72186 [2,0,0,0,0,0|1,0,1]=4 234 B5R0.1 CCC[N+](=O)[O-] D97683 [2,0,0,0,0,0|1,0,1]=4 235 B5R0.1 CCNC(C)=O AC2513 [2,0,0,0,0,0|2,0,0]=4 236 B5R0.1 CCNC(N)=O D95291 [2,0,0,0,0,0|2,0,0]=4 237 B5R0.1 CCOC(N)=O F21294 [2,0,0,0,0,0|2,0,0]=4 238 B5R0.1 CCSC(C)=O H11301 [2,0,0,0,0,0|2,0,0]=4 239 B5R0.1 CN(C)CC=O O10521 [2,0,0,0,0,0|2,0,0]=4 240 B5R0.1 CNCC(=O)O 73735 [2,0,0,0,0,0|1,0,0]=3 241 B5R0.1 CNCC(=O)O AC7804 [2,0,0,0,0,0|1,0,0]=3 242 B5R0.1 CNCC(N)=O A11560 [2,0,0,0,0,0|2,0,0]=4 243 B5R0.1 COCC(=O)Cl D78222 [2,0,0,0,0,0|2,0,0]=4 244 B5R0.1 COCC(=O)O D77874 [2,0,0,0,0,0|1,0,0]=3 245 B5R0.1 COCC(C)=O D91400 [2,0,0,0,0,0|2,0,0]=4 246 B5R0.1 COCC(N)=O F20983 [2,0,0,0,0,0|2,0,0]=4 247 B5R0.1 COC[C@H](C)O 35103 [2,0,0,0,0,0|2,0,0]=4 248 B5R0.1 COC[C@H](C)O O10158 [2,0,0,0,0,0|2,0,0]=4 249 B5R0.1 CSCC(=O)O F15988 [2,0,0,0,0,0|1,0,0]=3 250 B5R0.1 CSCC(N)=O 23231 [2,0,0,0,0,0|2,0,0]=4 251 B5R0.1 C[C@H](N)CCO 36141 [2,0,0,0,0,0|1,0,1]=4 252 B5R0.1 C[C@H](N)CCO 36142 [2,0,0,0,0,0|1,0,1]=4 253 B5R0.1 C[C@H](N)CCO F11725 [2,0,0,0,0,0|1,0,1]=4 254 B5R0.1 C[C@H](O)CCO 55765 [2,0,0,0,0,0|0,0,1]=3 255 B5R0.1 C[C@H](O)CCO O10183 [2,0,0,0,0,0|0,0,1]=3 256 B5R0.1 C[C@H](O)CNN 71999 [2,0,0,0,0,0|2,0,0]=4 257 B5R0.1 C\C=C\C(=O)O RB8002 [2,0,0,0,0,0|0,0,2]=4 258 B5R0.1 N#CCC(=O)O P20002 [2,0,0,0,0,0|1,0,1]=4 259 B5R0.1 NC(=O)CCBr C16124 [2,0,0,0,0,0|2,0,0]=4 260 B5R0.1 NCCC(N)=O F13534 [2,0,0,0,0,0|2,0,0]=4 261 B5R0.1 NOCC(=O)O H11929 [2,0,0,0,0,0|2,0,0]=4 262 B5R0.1 O=C(Cl)CCBr D88890 [2,0,0,0,0,0|2,0,0]=4 263 B5R0.1 O=C(O)CCBr P17146 [2,0,0,0,0,0|1,0,0]=3 264 B5R0.1 O=C(O)CCF 71324 [2,0,0,0,0,0|1,0,0]=3 265 B5R0.1 O=C(O)CCI D91073 [2,0,0,0,0,0|1,0,0]=3 266 B5R0.1 O=C(O)CCO 77998 [2,0,0,0,0,0|0,0,0]=2 267 B5R0.1 O=C(O)CCS AT21041 [2,0,0,0,0,0|0,1,0]=3 268 B5R0.1 O=[N+]([O-])CCO AC1643 [2,0,0,0,0,0|1,0,1]=4 269 B5R0.3 C=C[C@@H](O)CC F15421 [2,0,0,0,0,0|2,0,0]=4 270 B5R0.3 C=C[C@@H](O)CO D79949 [2,0,0,0,0,0|2,0,0]=4 271 B5R0.3 CC(CO)CO D71170 [2,0,0,0,0,0|1,0,1]=4 272 B5R0.3 CCC(N)CC S12161 [2,0,0,0,0,0|1,0,1]=4 273 B5R0.3 CC[C@H](C)CO 88664 [2,0,0,0,0,0|1,0,1]=4 274 B5R0.3 CC[C@H](N)CO 23160 [2,0,0,0,0,0|0,0,1]=3 275 B5R0.3 CC[C@H](N)CO D87517 [2,0,0,0,0,0|0,0,1]=3 276 B5R0.3 CC[C@H](N)CO F14569 [2,0,0,0,0,0|0,0,1]=3 277 B5R0.3 CC[C@H](O)CO C10640 [2,0,0,0,0,0|1,0,1]=4 278 B5R0.3 CC[C@H](O)CO O10222 [2,0,0,0,0,0|1,0,1]=4 279 B5R0.3 NC(CO)CO F10927 [2,0,0,0,0,0|0,0,1]=3 280 B5R0.3 OCC(O)CO C13300 [2,0,0,0,0,0|1,0,1]=4 281 B5R0.3 OCC(O)CO D92249 [2,0,0,0,0,0|1,0,1]=4 282 B5R0.5 CC(=O)[C@H](C)Br AT12822 [2,0,0,0,0,0|2,0,0]=4 283 B5R0.5 CC(=O)[C@H](C)S D91540 [2,0,0,0,0,0|2,0,0]=4 284 B5R0.5 CC(C)C(=O)[O-] D91080 [2,0,0,0,0,0|1,0,1]=4 285 B5R0.5 CC(C)C(N)=O 28439 [2,0,0,0,0,0|1,0,1]=4 286 B5R0.5 CC(O)C(=O)[O-] F16480 [2,0,0,0,0,0|1,0,1]=4 287 B5R0.5 CC(O)C(C)O F14836 [2,0,0,0,0,0|1,0,0]=3 288 B5R0.5 CC(O)C(C)S D91539 [2,0,0,0,0,0|1,0,1]=4 289 B5R0.5 C[C@H](Br)C(=O)Br 13146 [2,0,0,0,0,0|2,0,0]=4 290 B5R0.5 C[C@H](Br)C(=O)Cl D89048 [2,0,0,0,0,0|2,0,0]=4 291 B5R0.5 C[C@H](Br)C(=O)O 70715 [2,0,0,0,0,0|1,0,0]=3 292 B5R0.5 C[C@H](Br)C(=O)O H10882 [2,0,0,0,0,0|1,0,0]=3 293 B5R0.5 C[C@H](Br)C(N)=O D71122 [2,0,0,0,0,0|1,0,1]=4 294 B5R0.5 C[C@H](Cl)C(=O)Cl W13261 [2,0,0,0,0,0|2,0,0]=4 295 B5R0.5 C[C@H](Cl)C(=O)O 36674 [2,0,0,0,0,0|1,0,0]=3 296 B5R0.5 C[C@H](Cl)C(=O)O F16436 [2,0,0,0,0,0|1,0,0]=3 297 B5R0.5 C[C@H](F)C(=O)O N12158 [2,0,0,0,0,0|1,0,0]=3 298 B5R0.5 C[C@H](N)C(=O)O 30773 [2,0,0,0,0,0|0,0,0]=2 299 B5R0.5 C[C@H](N)C(=O)O C75806 [2,0,0,0,0,0|0,0,0]=2 300 B5R0.5 C[C@H](N)C(=O)O D72543 [2,0,0,0,0,0|0,0,0]=2 301 B5R0.5 C[C@H](N)C(=O)O D84362 [2,0,0,0,0,0|0,0,0]=2 302 B5R0.5 C[C@H](N)C(N)=O 23091 [2,0,0,0,0,0|1,0,0]=3 303 B5R0.5 C[C@H](N)C(N)=O 30751 [2,0,0,0,0,0|1,0,0]=3 304 B5R0.5 C[C@H](N)C(N)=O 30913 [2,0,0,0,0,0|1,0,0]=3 305 B5R0.5 C[C@H](N)C(N)=O 34538 [2,0,0,0,0,0|1,0,0]=3 306 B5R0.5 C[C@H](O)C(=O)O D71144 [2,0,0,0,0,0|1,0,0]=3 307 B5R0.5 C[C@H](O)C(=O)O F14892 [2,0,0,0,0,0|1,0,0]=3 308 B5R0.5 C[C@H](O)C(=O)[O-] D91256 [2,0,0,0,0,0|1,0,1]=4 309 B5R0.5 C[C@H](O)C(=O)[O-] H11285 [2,0,0,0,0,0|1,0,1]=4 310 B5R0.5 C[C@H](O)C(=O)[O-] H12049 [2,0,0,0,0,0|1,0,1]=4 311 B5R0.5 C[C@H](O)C(N)=O AC1144 [2,0,0,0,0,0|0,0,1]=3 312 B5R0.5 C[C@H](O)[C@H](C)O C73651 [2,0,0,0,0,0|1,0,0]=3 313 B5R0.5 NC(=O)C(=O)O A10798 [2,0,0,0,0,0|0,0,2]=4 314 B5R0.5 O=C(O)C(=O)O 35743 [2,0,0,0,0,0|1,0,1]=4 315 B5R0.5 O=C(O)C(=O)O C11246 [2,0,0,0,0,0|1,0,1]=4 316 B5R0.5 O=C(O)C(F)F FD2068 [2,0,0,0,0,0|2,0,0]=4 317 B5R0.5 O=C(O)[C@@H](F)Br AC1541 [2,0,0,0,0,0|2,0,0]=4 318 B7R0.2 CC(C)OC(=O)CO 77517 [1,1,0,0,0,0|2,0,0]=4 319 B7R0.2 CCC(=O)CC(C)C D90471 [1,1,0,0,0,0|2,0,0]=4 320 B7R0.2 CCN(C)CC(=O)O D97398 [1,1,0,0,0,0|2,0,0]=4 321 B7R0.2 CC[C@H](C)CC(=O)O 63956 [1,1,0,0,0,0|1,0,0]=3 322 B7R0.2 CC[C@H](C)CC(=O)O 63972 [1,1,0,0,0,0|1,0,0]=3 323 B7R0.2 CC[C@H](N)CC(=O)O 52001 [1,1,0,0,0,0|1,0,0]=3 324 B7R0.2 CC[C@H](N)CC(=O)O 52002 [1,1,0,0,0,0|1,0,0]=3 325 B7R0.2 CC[C@H](N)CC(=O)O Y10914 [1,1,0,0,0,0|1,0,0]=3 326 B7R0.2 CC[C@H](N)CC(=O)O Y11199 [1,1,0,0,0,0|1,0,0]=3 327 B7R0.2 COC(=O)CC(=O)O 36101 [1,1,0,0,0,0|0,0,2]=4 328 B7R0.2 COC(=O)CC(C)=O D70329 [1,1,0,0,0,0|0,0,2]=4 329 B7R0.2 COC(=O)CC(C)C 79108 [1,1,0,0,0,0|1,0,0]=3 330 B7R0.2 COC(=O)CN(C)C H10578 [1,1,0,0,0,0|2,0,0]=4 331 B7R0.2 COC(=O)C[C@H](C)Br O11908 [1,1,0,0,0,0|1,0,0]=3 332 B7R0.2 COC(=O)C[C@H](C)N 75000 [1,1,0,0,0,0|1,0,0]=3 333 B7R0.2 COC(=O)C[C@H](C)N 75001 [1,1,0,0,0,0|1,0,0]=3 334 B7R0.2 COC(=O)C[C@H](C)N F14792 [1,1,0,0,0,0|1,0,0]=3 335 B7R0.2 COC(=O)C[C@H](C)O AC7720 [1,1,0,0,0,0|0,0,0]=2 336 B7R0.2 COC(=O)C[C@H](C)O C14861 [1,1,0,0,0,0|0,0,0]=2 337 B7R0.2 COC(=O)C[C@H](C)O F15447 [1,1,0,0,0,0|0,0,0]=2 338 B7R0.2 NC[C@@H](N)CC(=O)O D82928 [1,1,0,0,0,0|1,0,0]=3 339 B7R0.2 NC[C@@H](O)CC(=O)O 52129 [1,1,0,0,0,0|0,0,0]=2 340 B7R0.2 NC[C@@H](O)CC(=O)O 52130 [1,1,0,0,0,0|0,0,0]=2 341 B7R0.2 NC[C@@H](O)CC(=O)O AB3028 [1,1,0,0,0,0|0,0,0]=2 342 B7R0.2 N[C@H](CO)CC(=O)O 27226 [1,1,0,0,0,0|1,0,0]=3 343 B7R0.9 CC(=O)CC(C)(C)C A10213 [1,1,0,0,0,0|2,0,0]=4 344 B7R0.9 CC(=O)CC(C)(C)N 30483 [1,1,0,0,0,0|2,0,0]=4 345 B7R0.9 CC(=O)CC(C)(C)S D95275 [1,1,0,0,0,0|1,1,0]=4 346 B7R0.9 CC(C)(Br)CC(=O)O D84403 [1,1,0,0,0,0|1,0,0]=3 347 B7R0.9 CC(C)(C)CC(=O)Cl P18012 [1,1,0,0,0,0|2,0,0]=4 348 B7R0.9 CC(C)(C)CC(=O)O D78179 [1,1,0,0,0,0|1,0,0]=3 349 B7R0.9 CC(C)(N)CC(=O)O 33076 [1,1,0,0,0,0|1,0,0]=3 350 B7R0.9 CC(C)(O)CC(=O)O A10925 [1,1,0,0,0,0|0,0,0]=2 351 B7R0.9 CS(=O)(=O)CC(=O)O 29030 [1,1,0,0,0,0|1,0,1]=4 352 B7R0.9 O=C(O)CC(F)(F)F 66732 [1,1,0,0,0,0|2,0,0]=4 353 B7R0.5 C#CC[C@H](N)C(=O)O 23587 [1,1,0,0,0,0|0,0,1]=3 354 B7R0.5 C#CC[C@H](N)C(=O)O A50291 [1,1,0,0,0,0|0,0,1]=3 355 B7R0.5 C#CC[C@H](N)C(=O)O O10166 [1,1,0,0,0,0|0,0,1]=3 356 B7R0.5 C#CC[C@H](N)C(=O)O S10337 [1,1,0,0,0,0|0,0,1]=3 357 B7R0.5 C=CC[C@H](C)C(=O)O P20511 [1,1,0,0,0,0|1,0,1]=4 358 B7R0.5 C=CC[C@H](N)C(=O)O 67600 [1,1,0,0,0,0|0,0,1]=3 359 B7R0.5 C=CC[C@H](N)C(=O)O H10160 [1,1,0,0,0,0|0,0,1]=3 360 B7R0.5 C=CC[C@H](N)C(=O)O O10661 [1,1,0,0,0,0|0,0,1]=3 361 B7R0.5 C=CC[C@H](N)C(=O)O T70065 [1,1,0,0,0,0|0,0,1]=3 362 B7R0.5 CC(C)[C@@H](N)CCO 29776 [1,1,0,0,0,0|1,0,1]=4 363 B7R0.5 CCC[C@H](C)C(=O)O D78086 [1,1,0,0,0,0|1,0,0]=3 364 B7R0.5 CCC[C@H](N)C(=O)O 27282 [1,1,0,0,0,0|0,0,0]=2 365 B7R0.5 CCC[C@H](N)C(=O)O 73286 [1,1,0,0,0,0|0,0,0]=2 366 B7R0.5 CCC[C@H](N)C(=O)O D70899 [1,1,0,0,0,0|0,0,0]=2 367 B7R0.5 CCOC(=O)C(=O)O C75898 [1,1,0,0,0,0|1,0,1]=4 368 B7R0.5 CC\C=C(/C)C(=O)O D78175 [1,1,0,0,0,0|1,0,1]=4 369 B7R0.5 COC[C@H](N)C(=O)O 23000 [1,1,0,0,0,0|0,0,0]=2 370 B7R0.5 COC[C@H](N)C(=O)O 23621 [1,1,0,0,0,0|0,0,0]=2 371 B7R0.5 COC[C@H](N)C(=O)O 25149 [1,1,0,0,0,0|0,0,0]=2 372 B7R0.5 COC[C@H](N)C(=O)O 52228 [1,1,0,0,0,0|0,0,0]=2 373 B7R0.5 COC[C@H](N)C(=O)O F10843 [1,1,0,0,0,0|0,0,0]=2 374 B7R0.5 CSC[C@H](N)C(=O)O FD21238 [1,1,0,0,0,0|0,0,0]=2 375 B7R0.5 NCC[C@H](N)C(=O)O 71083 [1,1,0,0,0,0|0,0,0]=2 376 B7R0.5 NCC[C@H](N)C(=O)O FD1067 [1,1,0,0,0,0|0,0,0]=2 377 B7R0.5 NCC[C@H](N)C(=O)O FD1073 [1,1,0,0,0,0|0,0,0]=2 378 B7R0.5 NCC[C@H](O)C(=O)O 28622 [1,1,0,0,0,0|1,0,0]=3 379 B7R0.5 NCC[C@H](O)C(=O)O O11154 [1,1,0,0,0,0|1,0,0]=3 380 B7R0.5 N[C@@H](CCBr)C(=O)O FD1268 [1,1,0,0,0,0|0,0,0]=2 381 B7R0.5 N[C@@H](CCO)C(=O)O 27335 [1,1,0,0,0,0|0,0,0]=2 382 B7R0.5 N[C@@H](CCO)C(=O)O FD1121 [1,1,0,0,0,0|0,0,0]=2 383 B7R0.5 N[C@@H](CCO)C(=O)O FD1124 [1,1,0,0,0,0|0,0,0]=2 384 B7R0.10 C=C(CO)C(=O)OC 35969 [1,1,0,0,0,0|1,0,1]=4 385 B7R0.10 CCC(=O)C(=O)OC F16310 [1,1,0,0,0,0|1,0,1]=4 386 B7R0.10 CCC(=O)[C@@H](O)CC D92050 [1,1,0,0,0,0|2,0,0]=4 387 B7R0.10 CC[C@@H](C)[C@@H](N)CO AC7563 [1,1,0,0,0,0|1,0,1]=4 388 B7R0.10 CC[C@@H](C)[C@@H](N)CO FD21812 [1,1,0,0,0,0|1,0,1]=4 389 B7R0.10 CC[C@H](Br)C(=O)OC H11989 [1,1,0,0,0,0|1,0,0]=3 390 B7R0.10 CC[C@H](N)C(=O)OC 63264 [1,1,0,0,0,0|0,0,0]=2 391 B7R0.10 CC[C@H](N)C(=O)OC F11947 [1,1,0,0,0,0|0,0,0]=2 392 B7R0.10 CC[C@H](N)C(=O)OC H10859 [1,1,0,0,0,0|0,0,0]=2 393 B7R0.10 CC[C@H](O)C(=O)OC D94650 [1,1,0,0,0,0|1,0,0]=3 394 B7R0.10 CN[C@@H](C)C(=O)OC D84599 [1,1,0,0,0,0|2,0,0]=4 395 B7R0.10 CN[C@@H](C)C(=O)OC FD21060 [1,1,0,0,0,0|2,0,0]=4 396 B7R0.10 COC(=O)[C@@H](Br)CBr AB2902 [1,1,0,0,0,0|2,0,0]=4 397 B7R0.10 COC(=O)[C@@H](Br)CO D84458 [1,1,0,0,0,0|1,0,0]=3 398 B7R0.10 COC(=O)[C@@H](C)CBr D70325 [1,1,0,0,0,0|2,0,0]=4 399 B7R0.10 COC(=O)[C@@H](C)CN E72583 [1,1,0,0,0,0|2,0,0]=4 400 B7R0.10 COC(=O)[C@@H](C)CO F12962 [1,1,0,0,0,0|1,0,0]=3 401 B7R0.10 COC(=O)[C@@H](C)CO TD8064 [1,1,0,0,0,0|1,0,0]=3 402 B7R0.10 COC(=O)[C@@H](F)CO 36756 [1,1,0,0,0,0|1,0,0]=3 403 B7R0.10 COC(=O)[C@@H](N)CCl FD3091 [1,1,0,0,0,0|1,0,0]=3 404 B7R0.10 COC(=O)[C@@H](N)CCl O11861 [1,1,0,0,0,0|1,0,0]=3 405 B7R0.10 COC(=O)[C@@H](N)CN D83300 [1,1,0,0,0,0|1,0,0]=3 406 B7R0.10 COC(=O)[C@@H](N)CO 20054 [1,1,0,0,0,0|0,0,0]=2 407 B7R0.10 COC(=O)[C@@H](N)CO 20056 [1,1,0,0,0,0|0,0,0]=2 408 B7R0.10 COC(=O)[C@@H](N)CO 39397 [1,1,0,0,0,0|0,0,0]=2 409 B7R0.10 COC(=O)[C@@H](N)CO AB7436 [1,1,0,0,0,0|0,0,0]=2 410 B7R0.10 COC(=O)[C@@H](N)CS 27842 [1,1,0,0,0,0|0,1,0]=3 411 B7R0.10 COC(=O)[C@@H](N)CS FD21234 [1,1,0,0,0,0|0,1,0]=3 412 B7R0.10 COC(=O)[C@@H](N)CS H10905 [1,1,0,0,0,0|0,1,0]=3 413 B7R0.10 COC(=O)[C@@H](O)CO 24991 [1,1,0,0,0,0|1,0,0]=3 414 B7R0.10 COC(=O)[C@H](C)OC AT18834 [1,1,0,0,0,0|2,0,0]=4 415 B7R0.10 NNC(=O)[C@@H](N)CO F10936 [1,1,0,0,0,0|1,0,0]=3 416 B7R0.10 OC[C@H](O)[C@H](O)CO E70403 [1,1,0,0,0,0|1,0,1]=4 417 B7R0.13 CC(C)(CCl)C(=O)O D84180 [1,1,0,0,0,0|2,0,0]=4 418 B7R0.13 CC(C)(CF)C(=O)O FD10572 [1,1,0,0,0,0|2,0,0]=4 419 B7R0.13 CC(C)(CN)C(=O)O 32394 [1,1,0,0,0,0|2,0,0]=4 420 B7R0.13 CC(C)(CO)C(=O)O AC7895 [1,1,0,0,0,0|1,0,0]=3 421 B7R0.13 CCC(C)(C)C(=O)Cl A10688 [1,1,0,0,0,0|2,0,0]=4 422 B7R0.13 CCC(C)(C)C(=O)O 28824 [1,1,0,0,0,0|1,0,0]=3 423 B7R0.13 CCC(F)(F)C(=O)O C90211 [1,1,0,0,0,0|1,0,0]=3 424 B7R0.13 CC[C@](C)(N)C(=O)O 28050 [1,1,0,0,0,0|0,0,0]=2 425 B7R0.13 CC[C@](C)(N)C(=O)O F12358 [1,1,0,0,0,0|0,0,0]=2 426 B7R0.13 CC[C@](C)(O)C(=O)O W11991 [1,1,0,0,0,0|1,0,0]=3 427 B7R0.13 CNC(C)(C)C(=O)O T72178 [1,1,0,0,0,0|2,0,0]=4 428 B7R0.13 COC(C)(C)C(=O)O 28124 [1,1,0,0,0,0|2,0,0]=4 429 B7R0.13 C[C@](O)(CBr)C(=O)O 24569 [1,1,0,0,0,0|2,0,0]=4 430 B7R0.14 CC(C)(C)[C@@H](N)CO 31123 [1,1,0,0,0,0|1,0,1]=4 431 B7R0.14 CC(C)(C)[C@@H](N)CO F12551 [1,1,0,0,0,0|1,0,1]=4 432 B7R0.15 CCC(CC)C(=O)[O-] RB3137 [1,1,0,0,0,0|1,0,1]=4 433 B7R0.15 CCC(CC)C(C)=O N12324 [1,1,0,0,0,0|2,0,0]=4 434 B7R0.15 CN[C@@H](CO)C(=O)O D97539 [1,1,0,0,0,0|0,0,0]=2 435 B7R0.15 O=C(O)C(CBr)CBr S10906 [1,1,0,0,0,0|2,0,0]=4 436 B9R0.10 CC(C)(C)[C@@H](N)CC(=O)O 56506 [0,1,0,0,0,1|1,0,0]=3 437 B9R0.10 CC(C)(C)[C@@H](N)CC(=O)O 56507 [0,1,0,0,0,1|1,0,0]=3 438 B9R0.10 CC(C)(C)[C@@H](N)CC(=O)O 56508 [0,1,0,0,0,1|1,0,0]=3 439 B9R0.23 C=C(C)C[C@H](N)C(=O)OC D80920 [0,1,0,0,0,1|1,0,1]=4 440 B9R0.23 CC(C)C[C@H](N)C(=O)CCl FD21939 [0,1,0,0,0,1|2,0,0]=4 441 B9R0.23 COC(=O)[C@@H](N)CC(=O)O 78253 [0,1,0,0,0,1|0,0,2]=4 442 B9R0.23 COC(=O)[C@@H](N)CC(=O)O AT23254 [0,1,0,0,0,1|0,0,2]=4 443 B9R0.23 COC(=O)[C@@H](N)CC(=O)O C10287 [0,1,0,0,0,1|0,0,2]=4 444 B9R0.23 COC(=O)[C@@H](N)CC(=O)O F15183 [0,1,0,0,0,1|0,0,2]=4 445 B9R0.23 COC(=O)[C@@H](N)CC(C)C FD21898 [0,1,0,0,0,1|1,0,0]=3 446 B9R0.23 COC(=O)[C@@H](N)CC(C)C FD3053 [0,1,0,0,0,1|1,0,0]=3 447 B9R0.23 COC(=O)[C@@H](O)CC(C)C D80572 [0,1,0,0,0,1|2,0,0]=4 448 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O AC2467 [0,1,0,0,0,1|1,0,1]=4 449 B9R0.39 CN[C@@H](CC(C)C)C(=O)O 32589 [0,1,0,0,0,1|1,0,0]=3 450 B9R0.39 CN[C@@H](CC(C)C)C(=O)O F11181 [0,1,0,0,0,1|1,0,0]=3 451 B9R0.39 CN[C@@H](CC(C)C)C(=O)O FD21865 [0,1,0,0,0,1|1,0,0]=3 452 B9R0.42 CNC(=O)C[C@H](N)C(=O)O D81461 [0,1,0,0,0,1|0,0,2]=4 453 B9R0.42 CNC(=O)C[C@H](N)C(=O)O D82943 [0,1,0,0,0,1|0,0,2]=4 454 B9R0.42 COC(=O)C[C@H](N)C(=O)O 31217 [0,1,0,0,0,1|0,0,2]=4 455 B9R0.42 COC(=O)C[C@H](N)C(=O)O 39305 [0,1,0,0,0,1|0,0,2]=4 456 B9R0.42 COC(=O)C[C@H](N)C(=O)O 52034 [0,1,0,0,0,1|0,0,2]=4 457 B9R0.42 COC(=O)C[C@H](N)C(=O)O O10165 [0,1,0,0,0,1|0,0,2]=4 458 B9R0.42 COC(=O)C[C@H](N)C(C)C 75003 [0,1,0,0,0,1|1,0,0]=3 459 B9R0.42 COC(=O)C[C@H](N)C(C)C 75004 [0,1,0,0,0,1|1,0,0]=3 460 B9R0.57 CC(C)(C)C[C@H](N)C(=O)O 51153 [0,1,0,0,0,1|1,0,0]=3 461 B9R0.57 CC(C)(C)C[C@H](N)C(=O)O 51154 [0,1,0,0,0,1|1,0,0]=3 462 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O D81957 [0,1,0,0,0,1|2,0,0]=4 463 B9R0.79 CC(C(=O)O)C(N)C(=O)O D83126 [0,1,0,0,0,1|1,0,1]=4 464 B9R0.79 CC(O)[C@H](C)[C@H](N)C(=O)O D97437 [0,1,0,0,0,1|0,0,0]=2 465 B9R0.6 CCOC(=O)[C@@H](Br)C(C)C 33249 [0,2,0,0,0,0|2,0,0]=4 466 B9R0.6 CCOC(=O)[C@@H](N)C(C)C D82384 [0,2,0,0,0,0|1,0,0]=3 467 B9R0.6 CCOC(=O)[C@@H](N)C(C)C F16291 [0,2,0,0,0,0|1,0,0]=3 468 B9R0.6 CCOC(=O)[C@@H](N)C(C)C I11507 [0,2,0,0,0,0|1,0,0]=3 469 B9R0.6 CCOC(=O)[C@@H](N)[C@@H](C)O AB10194 [0,2,0,0,0,0|0,0,0]=2 470 B9R0.25 CNC(=O)[C@@H](N)C(C)(C)C F12359 [0,2,0,0,0,0|2,0,0]=4 471 B9R0.25 COC(=O)[C@@H](N)C(C)(C)C 33261 [0,2,0,0,0,0|1,0,0]=3 472 B9R0.25 COC(=O)[C@@H](N)C(C)(C)C F11538 [0,2,0,0,0,0|1,0,0]=3 473 B9R0.27 CC[C@H](C)[C@H](N)C(=O)OC FD21803 [0,2,0,0,0,0|1,0,0]=3 474 B9R0.27 COC(=O)C(N)C(=O)OC D82896 [0,2,0,0,0,0|0,0,2]=4 475 B9R0.27 O=C[C@@H](O)[C@@H](O)[C@@H](O)CO AC7811 [0,2,0,0,0,0|1,0,1]=4 476 B9R0.27 O=C[C@@H](O)[C@@H](O)[C@@H](O)CO O11840 [0,2,0,0,0,0|1,0,1]=4 477 B9R0.27 O=C[C@@H](O)[C@H](O)[C@@H](O)CO H10761 [0,2,0,0,0,0|1,0,1]=4 478 B9R0.27 O=C[C@@H](O)[C@H](O)[C@H](O)CO 43554 [0,2,0,0,0,0|1,0,1]=4 479 B9R0.27 O=C[C@@H](O)[C@H](O)[C@H](O)CO D70643 [0,2,0,0,0,0|1,0,1]=4 480 B9R0.27 O=C[C@@H](O)[C@H](O)[C@H](O)CO F10533 [0,2,0,0,0,0|1,0,1]=4 481 B9R0.54 CC(C)C(C(=O)O)C(=O)O O10812 [0,2,0,0,0,0|2,0,0]=4 482 B7R1.2 C[C@@H]1CNC(=O)C1 P10078 [1,0,0,1,0,0|2,0,0]=4 483 B7R1.2 C[C@H]1CCC(=O)C1 F10505 [1,0,0,1,0,0|2,0,0]=4 484 B7R1.2 C[C@H]1COC(=O)O1 28658 [1,0,0,1,0,0|2,0,0]=4 485 B7R1.2 N[C@@H]1CNC(=O)C1 38799 [1,0,0,1,0,0|2,0,0]=4 486 B7R1.2 N[C@@H]1CNC(=O)C1 SC5061 [1,0,0,1,0,0|2,0,0]=4 487 B7R1.2 N[C@@H]1COC(=O)C1 FD1172 [1,0,0,1,0,0|1,0,0]=3 488 B7R1.2 O=C1C=C[C@@H](O)C1 11013 [1,0,0,1,0,0|1,0,1]=4 489 B7R1.2 O=C1COC(=O)C1 T72521 [1,0,0,1,0,0|0,0,2]=4 490 B7R1.2 O=C1C[C@H](O)CN1 26280 [1,0,0,1,0,0|1,0,0]=3 491 B7R1.2 O=C1C[C@H](O)CN1 62393 [1,0,0,1,0,0|1,0,0]=3 492 B7R1.2 O=C1C[C@H](O)CN1 62394 [1,0,0,1,0,0|1,0,0]=3 493 B7R1.2 O=C1C[C@H](O)CO1 H11711 [1,0,0,1,0,0|0,0,0]=2 494 B7R1.2 O=C1OC[C@H](Cl)O1 C13865 [1,0,0,1,0,0|2,0,0]=4 495 B7R1.2 O=C1OC[C@H](F)O1 FD2018 [1,0,0,1,0,0|2,0,0]=4 496 B7R1.2 OC1CCC(O)C1 P10003 [1,0,0,1,0,0|1,0,1]=4 497 B7R1.12 O=C(O)C1CC1F CS2163 [1,0,0,1,0,0|1,0,0]=3 498 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F CS1221 [1,0,0,1,0,0|1,0,0]=3 499 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F CS1224 [1,0,0,1,0,0|1,0,0]=3 500 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F CS2019 [1,0,0,1,0,0|1,0,0]=3 501 B7R1.12 O=C(O)[C@H]1C[C@@H]1F CS1503 [1,0,0,1,0,0|1,0,0]=3 502 B7R1.16 O=S1(=O)CC(O)C1 O11016 [1,0,0,1,0,0|1,0,1]=4 503 B7R1.20 O=C(O)CC1CC1 CL4520 [1,0,0,1,0,0|1,0,0]=3 504 B7R1.4 C=C1CCOC1=O FD18014 [1,0,0,1,0,0|1,0,1]=4 505 B7R1.4 CN1CCOC1=O 70761 [1,0,0,1,0,0|2,0,0]=4 506 B7R1.4 C[C@H]1CCCC1=O 29606 [1,0,0,1,0,0|2,0,0]=4 507 B7R1.4 C[C@H]1CCOC1=O D70164 [1,0,0,1,0,0|1,0,0]=3 508 B7R1.4 NC1CCCC1O 25425 [1,0,0,1,0,0|1,0,1]=4 509 B7R1.4 NN1CCCC1=O 67417 [1,0,0,1,0,0|2,0,0]=4 510 B7R1.4 N[C@@H]1CCC[C@@H]1O 26214 [1,0,0,1,0,0|1,0,1]=4 511 B7R1.4 N[C@@H]1CCC[C@@H]1O 35677 [1,0,0,1,0,0|1,0,1]=4 512 B7R1.4 N[C@@H]1CCC[C@@H]1O P18490 [1,0,0,1,0,0|1,0,1]=4 513 B7R1.4 N[C@H]1CCC[C@@H]1O 28945 [1,0,0,1,0,0|1,0,1]=4 514 B7R1.4 N[C@H]1CCC[C@@H]1O 34523 [1,0,0,1,0,0|1,0,1]=4 515 B7R1.4 N[C@H]1CCC[C@@H]1O P15627 [1,0,0,1,0,0|1,0,1]=4 516 B7R1.4 N[C@H]1CCNC1=O 51275 [1,0,0,1,0,0|1,0,0]=3 517 B7R1.4 N[C@H]1CCNC1=O F31053 [1,0,0,1,0,0|1,0,0]=3 518 B7R1.4 N[C@H]1CCOC1=O 28853 [1,0,0,1,0,0|0,0,0]=2 519 B7R1.4 N[C@H]1CCOC1=O F14759 [1,0,0,1,0,0|0,0,0]=2 520 B7R1.4 N[C@H]1CCOC1=O FD1139 [1,0,0,1,0,0|0,0,0]=2 521 B7R1.4 N[C@H]1CCOC1=O FD1142 [1,0,0,1,0,0|0,0,0]=2 522 B7R1.4 N[C@H]1CCOC1=O W12226 [1,0,0,1,0,0|0,0,0]=2 523 B7R1.4 N[C@H]1CCSC1=O F17227 [1,0,0,1,0,0|0,1,0]=3 524 B7R1.4 N[C@H]1COC[C@@H]1O 72165 [1,0,0,1,0,0|0,0,1]=3 525 B7R1.4 N[C@H]1CONC1=O 34883 [1,0,0,1,0,0|1,0,0]=3 526 B7R1.4 N[C@H]1CONC1=O 50854 [1,0,0,1,0,0|1,0,0]=3 527 B7R1.4 O=C1CCC[C@@H]1Cl F10995 [1,0,0,1,0,0|2,0,0]=4 528 B7R1.4 O=C1NCC[C@@H]1O 25307 [1,0,0,1,0,0|2,0,0]=4 529 B7R1.4 O=C1NCC[C@@H]1O 27245 [1,0,0,1,0,0|2,0,0]=4 530 B7R1.4 O=C1NCC[C@@H]1O 68731 [1,0,0,1,0,0|2,0,0]=4 531 B7R1.4 O=C1OCC[C@@H]1Br H10671 [1,0,0,1,0,0|1,0,0]=3 532 B7R1.4 O=C1OCC[C@@H]1O A12215 [1,0,0,1,0,0|1,0,0]=3 533 B7R1.4 O=C1OCC[C@@H]1O T72635 [1,0,0,1,0,0|1,0,0]=3 534 B7R1.4 O[C@H]1COC[C@@H]1O 53260 [1,0,0,1,0,0|1,0,1]=4 535 B7R1.18 CC(=O)C1CCC1 P15299 [1,0,0,1,0,0|2,0,0]=4 536 B7R1.18 O=C(Cl)C1CCC1 D87747 [1,0,0,1,0,0|2,0,0]=4 537 B7R1.18 O=C(O)C1CCC1 59526 [1,0,0,1,0,0|1,0,0]=3 538 B7R1.18 O=C(O)C1CNC1 56245 [1,0,0,1,0,0|2,0,0]=4 539 B7R1.18 O=C(O)C1CNC1 67857 [1,0,0,1,0,0|2,0,0]=4 540 B7R1.18 O=C(O)[C@@H]1CCN1 20950 [1,0,0,1,0,0|0,0,0]=2 541 B7R1.18 O=C(O)[C@@H]1CCN1 20951 [1,0,0,1,0,0|0,0,0]=2 542 B7R1.18 O=C(O)[C@@H]1CCN1 24715 [1,0,0,1,0,0|0,0,0]=2 543 B7R1.18 O=C(O)[C@@H]1CCN1 57406 [1,0,0,1,0,0|0,0,0]=2 544 B7R1.18 O=C(O)[C@@H]1CCN1 66104 [1,0,0,1,0,0|0,0,0]=2 545 B7R1.19 CC1(C(=O)Cl)CC1 P11176 [1,0,0,1,0,0|2,0,0]=4 546 B7R1.19 CC1(C(=O)O)CC1 37829 [1,0,0,1,0,0|1,0,0]=3 547 B7R1.19 CC1(C(N)=O)CC1 F52103 [1,0,0,1,0,0|2,0,0]=4 548 B7R1.19 NC1(C(=O)O)CC1 50766 [1,0,0,1,0,0|0,0,0]=2 549 B7R1.19 NC1(C(=O)O)CC1 83039 [1,0,0,1,0,0|0,0,0]=2 550 B7R1.19 O=C(O)C1(Br)CC1 Y10428 [1,0,0,1,0,0|1,0,0]=3 551 B7R1.19 O=C(O)C1(F)CC1 CS1878 [1,0,0,1,0,0|1,0,0]=3 552 B7R1.19 O=C(O)C1(O)CC1 90643 [1,0,0,1,0,0|1,0,0]=3 553 B9R1.35 CC(C)[C@@H]1COC(=O)N1 33734 [0,0,0,1,0,1|2,0,0]=4 554 B9R1.35 CC(C)[C@@H]1COC(=O)N1 TD8068 [0,0,0,1,0,1|2,0,0]=4 555 B9R1.35 CC(C)[C@@H]1COC(=O)N1 W10689 [0,0,0,1,0,1|2,0,0]=4 556 B9R1.35 NC(=O)[C@@H]1C[C@@H](O)CN1 32602 [0,0,0,1,0,1|1,0,0]=3 557 B9R1.35 NC(=O)[C@@H]1C[C@@H](O)CN1 P11754 [0,0,0,1,0,1|1,0,0]=3 558 B9R1.35 NC(=O)[C@@H]1C[C@H](F)CN1 80487 [0,0,0,1,0,1|2,0,0]=4 559 B9R1.35 NC1CCC(C(=O)O)C1 31351 [0,0,0,1,0,1|2,0,0]=4 560 B9R1.35 NC1CCC(C(=O)O)C1 38978 [0,0,0,1,0,1|2,0,0]=4 561 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 73672 [0,0,0,1,0,1|2,0,0]=4 562 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 F16405 [0,0,0,1,0,1|2,0,0]=4 563 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 61228 [0,0,0,1,0,1|1,0,0]=3 564 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 BL003740 [0,0,0,1,0,1|1,0,0]=3 565 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 62349 [0,0,0,1,0,1|0,0,0]=2 566 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 62350 [0,0,0,1,0,1|0,0,0]=2 567 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 62351 [0,0,0,1,0,1|0,0,0]=2 568 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 P17905 [0,0,0,1,0,1|0,0,0]=2 569 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 28866 [0,0,0,1,0,1|1,0,0]=3 570 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 37923 [0,0,0,1,0,1|1,0,0]=3 571 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 62301 [0,0,0,1,0,1|0,0,0]=2 572 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 62310 [0,0,0,1,0,1|0,0,0]=2 573 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 62487 [0,0,0,1,0,1|0,0,0]=2 574 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 62488 [0,0,0,1,0,1|0,0,0]=2 575 B9R1.35 O=C1CN[C@H](C(=O)O)C1 D87765 [0,0,0,1,0,1|0,0,2]=4 576 B9R1.112 N[C@@H](CC1CC1)C(=O)O 51300 [0,0,0,1,0,1|1,0,0]=3 577 B9R1.112 N[C@@H](CC1CC1)C(=O)O 51301 [0,0,0,1,0,1|1,0,0]=3 578 B9R1.137 N[C@@H](CC(=O)O)C1CC1 31363 [0,0,0,1,0,1|1,0,0]=3 579 B9R1.164 CC1(O)CC(C(=O)O)C1 D79169 [0,0,0,1,0,1|1,0,0]=3 580 B9R1.37 CC1=C(O)C(=O)O[C@H]1C D82247 [0,1,0,1,0,0|1,0,1]=4 581 B9R1.41 CC1CCCC1C(=O)O 33416 [0,1,0,1,0,0|2,0,0]=4 582 B9R1.41 NC1CCCC1C(=O)O D94461 [0,1,0,1,0,0|2,0,0]=4 583 B9R1.101 COC(=O)[C@@H](N)C1CC1 F52092 [0,1,0,1,0,0|1,0,0]=3 584 B9R1.110 N[C@H](C(=O)O)C1CCC1 67424 [0,1,0,1,0,0|1,0,0]=3 585 B9R1.138 CC1(C)COC(=O)[C@H]1O 30286 [0,1,0,1,0,0|2,0,0]=4 586 B9R1.138 CC1(C)COC(=O)[C@H]1O 64980 [0,1,0,1,0,0|2,0,0]=4 587 B9R1.138 CC1(C)COC(=O)[C@H]1O AC1149 [0,1,0,1,0,0|2,0,0]=4 588 B7R0.6 C=C(C)CCC(=O)O 80208 [1,0,0,0,0,1|1,0,1]=4 589 B7R0.6 CC(=O)CCC(=O)O D70802 [1,0,0,0,0,1|0,0,2]=4 590 B7R0.6 CC(=O)NCC(=O)O AC8343 [1,0,0,0,0,1|0,0,2]=4 591 B7R0.6 CC(=O)OCC(=O)O D81772 [1,0,0,0,0,1|0,0,2]=4 592 B7R0.6 CC(=O)SCC(=O)O H12044 [1,0,0,0,0,1|0,0,2]=4 593 B7R0.6 CC(C)CCC(=O)O 28835 [1,0,0,0,0,1|1,0,0]=3 594 B7R0.6 CC(C)\C=C\C(=O)O D91297 [1,0,0,0,0,1|1,0,1]=4 595 B7R0.6 CC(O)CCC(C)O F17534 [1,0,0,0,0,1|1,0,1]=4 596 B7R0.6 CN(C)CCC(=O)O 30383 [1,0,0,0,0,1|2,0,0]=4 597 B7R0.6 CN(C)CCC(=O)O 35949 [1,0,0,0,0,1|2,0,0]=4 598 B7R0.6 C[C@H](O)CC[C@H](C)O T71918 [1,0,0,0,0,1|1,0,1]=4 599 B7R0.6 C[S+](C)CCC(=O)O 74954 [1,0,0,0,0,1|2,0,0]=4 600 B7R0.6 O=C(O)CCC(=O)O AB7710 [1,0,0,0,0,1|1,0,1]=4 601 B7R0.6 O=C(O)CCC(=O)O D80729 [1,0,0,0,0,1|1,0,1]=4 602 B9R0.7 CC(=O)OC[C@H](N)C(=O)O 50435 [0,0,0,0,0,2|0,0,2]=4 603 B9R0.7 CC(C)CC[C@H](N)C(=O)O 35603 [0,0,0,0,0,2|1,0,0]=3 604 B9R0.7 CC(C)CC[C@H](N)C(=O)O F11532 [0,0,0,0,0,2|1,0,0]=3 605 B9R0.7 CS(=O)CC[C@H](N)C(=O)O F10841 [0,0,0,0,0,2|1,0,1]=4 606 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O 28645 [0,0,0,0,0,2|1,0,1]=4 607 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O AC7831 [0,0,0,0,0,2|1,0,1]=4 608 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O D70530 [0,0,0,0,0,2|1,0,1]=4 609 B9R0.53 CC(C)C[C@H](N)CC(=O)O 52004 [0,0,0,0,0,2|1,0,0]=3 610 B9R0.53 CC(C)C[C@H](N)CC(=O)O 52005 [0,0,0,0,0,2|1,0,0]=3 611 B9R0.53 CC(C)C[C@H](N)CC(=O)O 52006 [0,0,0,0,0,2|1,0,0]=3