0 B8R0.23 C=C(Br)C[C@H](N)C(=O)O D97319 [0,0,0,0,0,0|1,0,2]=3 1 B8R0.23 CC(=O)C(=O)CC(C)C D84272 [0,0,0,0,0,0|2,0,1]=3 2 B8R0.23 CC(=O)C[C@H](C)C(=O)O P10084 [0,0,0,0,0,0|2,0,1]=3 3 B8R0.23 CC(=O)N[C@@H](C)C(=O)O FD21035 [0,0,0,0,0,0|3,0,1]=4 4 B8R0.23 CC(=O)N[C@@H](C)C(=O)O FD21049 [0,0,0,0,0,0|3,0,1]=4 5 B8R0.23 CC(=O)N[C@@H](C)C(=O)O FD21057 [0,0,0,0,0,0|3,0,1]=4 6 B8R0.23 CC(=O)O[C@@H](C)C(=O)O 50550 [0,0,0,0,0,0|3,0,1]=4 7 B8R0.23 CC(=O)O[C@@H](C)C(=O)O D88540 [0,0,0,0,0,0|3,0,1]=4 8 B8R0.23 CC(C)CC(=O)C(=O)O D82408 [0,0,0,0,0,0|1,0,1]=2 9 B8R0.23 CC(C)CC(=O)C(=O)[O-] F10915 [0,0,0,0,0,0|1,0,2]=3 10 B8R0.23 CC(C)C[C@H](Br)C(=O)O 36197 [0,0,0,0,0,0|1,0,0]=1 11 B8R0.23 CC(C)C[C@H](Br)C(=O)O C74469 [0,0,0,0,0,0|1,0,0]=1 12 B8R0.23 CC(C)C[C@H](N)C(=O)O 29890 [0,0,0,0,0,0|0,0,0]=0 13 B8R0.23 CC(C)C[C@H](N)C(=O)O AC7886 [0,0,0,0,0,0|0,0,0]=0 14 B8R0.23 CC(C)C[C@H](N)C(N)=O 20044 [0,0,0,0,0,0|1,0,0]=1 15 B8R0.23 CC(C)C[C@H](N)C(N)=O FD21869 [0,0,0,0,0,0|1,0,0]=1 16 B8R0.23 CC(C)C[C@H](N)C(N)=O FD21910 [0,0,0,0,0,0|1,0,0]=1 17 B8R0.23 CC(C)C[C@H](N)C(N)=O FD3059 [0,0,0,0,0,0|1,0,0]=1 18 B8R0.23 CC(C)C[C@H](O)C(=O)O D87748 [0,0,0,0,0,0|1,0,0]=1 19 B8R0.23 CC(C)C[C@H](O)C(=O)O F14883 [0,0,0,0,0,0|1,0,0]=1 20 B8R0.23 CC(C)C[C@H](O)C(=O)O S10037 [0,0,0,0,0,0|1,0,0]=1 21 B8R0.23 CC(C)NC(=O)C(=O)O AC5819 [0,0,0,0,0,0|2,0,1]=3 22 B8R0.23 CS(=O)C[C@H](N)C(=O)O D87103 [0,0,0,0,0,0|2,0,0]=2 23 B8R0.23 C[C@@H](CC(=O)O)C(=O)O 65400 [0,0,0,0,0,0|3,0,1]=4 24 B8R0.23 C[C@@H](CC(=O)O)C(=O)O 65402 [0,0,0,0,0,0|3,0,1]=4 25 B8R0.23 C[C@@H](CC(=O)O)C(=O)O H11814 [0,0,0,0,0,0|3,0,1]=4 26 B8R0.23 C\C(=C/C(C)C)C(=O)O D83819 [0,0,0,0,0,0|1,0,2]=3 27 B8R0.23 NC(=O)C[C@H](N)C(=O)O 20146 [0,0,0,0,0,0|2,0,1]=3 28 B8R0.23 NC(=O)C[C@H](N)C(=O)O 68743 [0,0,0,0,0,0|2,0,1]=3 29 B8R0.23 NC(=O)C[C@H](N)C(=O)O D70834 [0,0,0,0,0,0|2,0,1]=3 30 B8R0.23 NC(=O)C[C@H](N)C(=O)O F10838 [0,0,0,0,0,0|2,0,1]=3 31 B8R0.23 NC(=O)C[C@H](N)C(=O)O FD20027 [0,0,0,0,0,0|2,0,1]=3 32 B8R0.23 NC(=O)C[C@H](N)C(N)=O FD21206 [0,0,0,0,0,0|3,0,1]=4 33 B8R0.23 N[C@@H](CC(=O)O)C(=O)O 26084 [0,0,0,0,0,0|2,0,1]=3 34 B8R0.23 N[C@@H](CC(=O)O)C(=O)O D70832 [0,0,0,0,0,0|2,0,1]=3 35 B8R0.23 N[C@@H](CC(=O)O)C(=O)O D77793 [0,0,0,0,0,0|2,0,1]=3 36 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] D97789 [0,0,0,0,0,0|2,0,2]=4 37 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] D72536 [0,0,0,0,0,0|2,0,2]=4 38 B8R0.23 O=C(O)C[C@H](Br)C(=O)O 67225 [0,0,0,0,0,0|3,0,1]=4 39 B8R0.23 O=C(O)C[C@H](O)C(=O)O 29313 [0,0,0,0,0,0|3,0,1]=4 40 B8R0.23 O=C(O)C[C@H](O)C(=O)O 68744 [0,0,0,0,0,0|3,0,1]=4 41 B8R0.23 O=C(O)C[C@H](S)C(=O)O D70319 [0,0,0,0,0,0|3,0,1]=4 42 B7R0.2 CC(C)C[C@H](N)CO 34445 [1,0,0,0,0,0|0,0,1]=2 43 B7R0.2 CC(C)C[C@H](N)CO 39403 [1,0,0,0,0,0|0,0,1]=2 44 B7R0.2 CC(C)C[C@H](N)CO A10467 [1,0,0,0,0,0|0,0,1]=2 45 B7R0.2 CN(C)C[C@H](O)CO O10883 [1,0,0,0,0,0|2,0,1]=4 46 B7R0.5 C#CC[C@H](N)C(=O)O 23587 [1,0,0,0,0,0|0,0,2]=3 47 B7R0.5 C#CC[C@H](N)C(=O)O A50291 [1,0,0,0,0,0|0,0,2]=3 48 B7R0.5 C#CC[C@H](N)C(=O)O O10166 [1,0,0,0,0,0|0,0,2]=3 49 B7R0.5 C#CC[C@H](N)C(=O)O S10337 [1,0,0,0,0,0|0,0,2]=3 50 B7R0.5 C=CC[C@H](C)C(=O)O P20511 [1,0,0,0,0,0|1,0,2]=4 51 B7R0.5 C=CC[C@H](N)C(=O)O 67600 [1,0,0,0,0,0|0,0,2]=3 52 B7R0.5 C=CC[C@H](N)C(=O)O H10160 [1,0,0,0,0,0|0,0,2]=3 53 B7R0.5 C=CC[C@H](N)C(=O)O O10661 [1,0,0,0,0,0|0,0,2]=3 54 B7R0.5 C=CC[C@H](N)C(=O)O T70065 [1,0,0,0,0,0|0,0,2]=3 55 B7R0.5 CCCN(C)C(=O)Cl AC2466 [1,0,0,0,0,0|3,0,0]=4 56 B7R0.5 CCC[C@H](C)C(=O)O D78086 [1,0,0,0,0,0|1,0,0]=2 57 B7R0.5 CCC[C@H](N)C(=O)O 27282 [1,0,0,0,0,0|0,0,0]=1 58 B7R0.5 CCC[C@H](N)C(=O)O 73286 [1,0,0,0,0,0|0,0,0]=1 59 B7R0.5 CCC[C@H](N)C(=O)O D70899 [1,0,0,0,0,0|0,0,0]=1 60 B7R0.5 CCOC(=O)C(=O)O C75898 [1,0,0,0,0,0|2,0,1]=4 61 B7R0.5 CC\C=C(/C)C(=O)O D78175 [1,0,0,0,0,0|1,0,2]=4 62 B7R0.5 COC[C@H](N)C(=O)O 23000 [1,0,0,0,0,0|1,0,0]=2 63 B7R0.5 COC[C@H](N)C(=O)O 23621 [1,0,0,0,0,0|1,0,0]=2 64 B7R0.5 COC[C@H](N)C(=O)O 25149 [1,0,0,0,0,0|1,0,0]=2 65 B7R0.5 COC[C@H](N)C(=O)O 52228 [1,0,0,0,0,0|1,0,0]=2 66 B7R0.5 COC[C@H](N)C(=O)O F10843 [1,0,0,0,0,0|1,0,0]=2 67 B7R0.5 CSC[C@H](N)C(=O)O FD21238 [1,0,0,0,0,0|1,0,0]=2 68 B7R0.5 NCC[C@H](N)C(=O)O 71083 [1,0,0,0,0,0|1,0,0]=2 69 B7R0.5 NCC[C@H](N)C(=O)O FD1067 [1,0,0,0,0,0|1,0,0]=2 70 B7R0.5 NCC[C@H](N)C(=O)O FD1073 [1,0,0,0,0,0|1,0,0]=2 71 B7R0.5 NCC[C@H](O)C(=O)O 28622 [1,0,0,0,0,0|2,0,0]=3 72 B7R0.5 NCC[C@H](O)C(=O)O O11154 [1,0,0,0,0,0|2,0,0]=3 73 B7R0.5 N[C@@H](CCBr)C(=O)O FD1268 [1,0,0,0,0,0|1,0,0]=2 74 B7R0.5 N[C@@H](CCO)C(=O)O 27335 [1,0,0,0,0,0|1,0,0]=2 75 B7R0.5 N[C@@H](CCO)C(=O)O FD1121 [1,0,0,0,0,0|1,0,0]=2 76 B7R0.5 N[C@@H](CCO)C(=O)O FD1124 [1,0,0,0,0,0|1,0,0]=2 77 B7R0.6 C=C(C)CCC(=O)O 80208 [1,0,0,0,0,0|0,0,2]=3 78 B7R0.6 CC(=O)CCC(=O)O D70802 [1,0,0,0,0,0|1,0,1]=3 79 B7R0.6 CC(=O)CCC(=O)[O-] H10799 [1,0,0,0,0,0|1,0,2]=4 80 B7R0.6 CC(=O)CCC(C)=O D71099 [1,0,0,0,0,0|2,0,1]=4 81 B7R0.6 CC(=O)CCN(C)C D82201 [1,0,0,0,0,0|2,0,0]=3 82 B7R0.6 CC(=O)NCC(=O)O AC8343 [1,0,0,0,0,0|2,0,1]=4 83 B7R0.6 CC(=O)OCC(=O)O D81772 [1,0,0,0,0,0|2,0,1]=4 84 B7R0.6 CC(=O)SCC(=O)O H12044 [1,0,0,0,0,0|2,0,1]=4 85 B7R0.6 CC(C)CCB(O)O D70604 [1,0,0,0,0,0|1,0,1]=3 86 B7R0.6 CC(C)CCC(=O)O 28835 [1,0,0,0,0,0|0,0,0]=1 87 B7R0.6 CC(C)CC[C@H](C)O D91520 [1,0,0,0,0,0|1,0,1]=3 88 B7R0.6 CC(C)COC(=S)[S-] D97186 [1,0,0,0,0,0|1,2,0]=4 89 B7R0.6 CC(C)\C=C\C(=O)O D91297 [1,0,0,0,0,0|0,0,2]=3 90 B7R0.6 CC(O)CCC(C)O F17534 [1,0,0,0,0,0|2,0,1]=4 91 B7R0.6 CN(C)CCC(=O)O 30383 [1,0,0,0,0,0|1,0,0]=2 92 B7R0.6 CN(C)CCC(=O)O 35949 [1,0,0,0,0,0|1,0,0]=2 93 B7R0.6 C[C@H](O)CC[C@H](C)O T71918 [1,0,0,0,0,0|2,0,1]=4 94 B7R0.6 C[S+](C)CCC(=O)O 74954 [1,0,0,0,0,0|1,0,0]=2 95 B7R0.6 O=C(O)CCC(=O)O AB7710 [1,0,0,0,0,0|2,0,1]=4 96 B7R0.6 O=C(O)CCC(=O)O D80729 [1,0,0,0,0,0|2,0,1]=4 97 B7R0.6 O=C(O)CC[N+](=O)[O-] F17743 [1,0,0,0,0,0|3,0,0]=4 98 B9R0.23 C=C(C)C[C@H](N)C(=O)OC D80920 [0,1,0,0,0,0|0,0,2]=3 99 B9R0.23 CC(C)C[C@H](N)C(=O)CCl FD21939 [0,1,0,0,0,0|1,0,0]=2 100 B9R0.23 CCC(=O)[C@@H](C)CN(C)C 35938 [0,1,0,0,0,0|3,0,0]=4 101 B9R0.23 COC(=O)[C@@H](N)CC(=O)O 78253 [0,1,0,0,0,0|2,0,1]=4 102 B9R0.23 COC(=O)[C@@H](N)CC(=O)O AT23254 [0,1,0,0,0,0|2,0,1]=4 103 B9R0.23 COC(=O)[C@@H](N)CC(=O)O C10287 [0,1,0,0,0,0|2,0,1]=4 104 B9R0.23 COC(=O)[C@@H](N)CC(=O)O F15183 [0,1,0,0,0,0|2,0,1]=4 105 B9R0.23 COC(=O)[C@@H](N)CC(C)C FD21898 [0,1,0,0,0,0|0,0,0]=1 106 B9R0.23 COC(=O)[C@@H](N)CC(C)C FD3053 [0,1,0,0,0,0|0,0,0]=1 107 B9R0.23 COC(=O)[C@@H](N)CC(N)=O 66084 [0,1,0,0,0,0|2,0,1]=4 108 B9R0.23 COC(=O)[C@@H](N)CC(N)=O 66085 [0,1,0,0,0,0|2,0,1]=4 109 B9R0.23 COC(=O)[C@@H](O)CC(C)C D80572 [0,1,0,0,0,0|1,0,0]=2 110 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O AC2467 [0,1,0,0,0,0|2,0,1]=4 111 B9R0.39 CN[C@@H](CC(C)C)C(=O)O 32589 [0,1,0,0,0,0|0,0,0]=1 112 B9R0.39 CN[C@@H](CC(C)C)C(=O)O F11181 [0,1,0,0,0,0|0,0,0]=1 113 B9R0.39 CN[C@@H](CC(C)C)C(=O)O FD21865 [0,1,0,0,0,0|0,0,0]=1 114 B9R0.42 CNC(=O)C[C@H](N)C(=O)O D81461 [0,1,0,0,0,0|1,0,1]=3 115 B9R0.42 CNC(=O)C[C@H](N)C(=O)O D82943 [0,1,0,0,0,0|1,0,1]=3 116 B9R0.42 COC(=O)C[C@H](N)C(=O)O 31217 [0,1,0,0,0,0|1,0,1]=3 117 B9R0.42 COC(=O)C[C@H](N)C(=O)O 39305 [0,1,0,0,0,0|1,0,1]=3 118 B9R0.42 COC(=O)C[C@H](N)C(=O)O 52034 [0,1,0,0,0,0|1,0,1]=3 119 B9R0.42 COC(=O)C[C@H](N)C(=O)O O10165 [0,1,0,0,0,0|1,0,1]=3 120 B9R0.57 CC(C)(C)C[C@H](N)C(=O)O 51153 [0,1,0,0,0,0|0,0,0]=1 121 B9R0.57 CC(C)(C)C[C@H](N)C(=O)O 51154 [0,1,0,0,0,0|0,0,0]=1 122 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O D81957 [0,1,0,0,0,0|3,0,0]=4 123 B9R0.79 CC(C(=O)O)C(N)C(=O)O D83126 [0,1,0,0,0,0|2,0,1]=4 124 B9R0.79 CC(O)[C@H](C)[C@H](N)C(=O)O D97437 [0,1,0,0,0,0|1,0,0]=2 125 B9R1.35 CN1CC[C@H](C(=O)O)C1 25139 [0,0,0,1,0,0|2,0,0]=3 126 B9R1.35 CN1CC[C@H](C(=O)O)C1 28355 [0,0,0,1,0,0|2,0,0]=3 127 B9R1.35 CN1CC[C@H](C(=O)O)C1 38444 [0,0,0,1,0,0|2,0,0]=3 128 B9R1.35 NC(=O)[C@@H]1C[C@@H](O)CN1 32602 [0,0,0,1,0,0|2,0,0]=3 129 B9R1.35 NC(=O)[C@@H]1C[C@@H](O)CN1 P11754 [0,0,0,1,0,0|2,0,0]=3 130 B9R1.35 NC(=O)[C@@H]1C[C@H](F)CN1 80487 [0,0,0,1,0,0|2,0,0]=3 131 B9R1.35 NC1CCC(C(=O)O)C1 31351 [0,0,0,1,0,0|2,0,0]=3 132 B9R1.35 NC1CCC(C(=O)O)C1 38978 [0,0,0,1,0,0|2,0,0]=3 133 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 73672 [0,0,0,1,0,0|2,0,0]=3 134 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 F16405 [0,0,0,1,0,0|2,0,0]=3 135 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 61228 [0,0,0,1,0,0|1,0,0]=2 136 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 BL003740 [0,0,0,1,0,0|1,0,0]=2 137 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 62349 [0,0,0,1,0,0|1,0,0]=2 138 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 62350 [0,0,0,1,0,0|1,0,0]=2 139 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 62351 [0,0,0,1,0,0|1,0,0]=2 140 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 P17905 [0,0,0,1,0,0|1,0,0]=2 141 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 28866 [0,0,0,1,0,0|1,0,0]=2 142 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 37923 [0,0,0,1,0,0|1,0,0]=2 143 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 62301 [0,0,0,1,0,0|1,0,0]=2 144 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 62310 [0,0,0,1,0,0|1,0,0]=2 145 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 62487 [0,0,0,1,0,0|1,0,0]=2 146 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 62488 [0,0,0,1,0,0|1,0,0]=2 147 B9R1.35 O=C1CC[C@H](C(=O)O)C1 24489 [0,0,0,1,0,0|2,0,1]=4 148 B9R1.35 O=C1CC[C@H](C(=O)O)C1 P12600 [0,0,0,1,0,0|2,0,1]=4 149 B9R1.35 O=C1CC[C@H](C(=O)O)C1 P12601 [0,0,0,1,0,0|2,0,1]=4 150 B9R1.35 O=C1CN[C@H](C(=O)O)C1 D87765 [0,0,0,1,0,0|1,0,1]=3 151 B9R1.69 C[C@H]1CN(C)CCC1=O 68472 [0,0,0,1,0,0|3,0,0]=4 152 B9R1.112 N[C@@H](CC1CC1)C(=O)O 51300 [0,0,0,1,0,0|0,0,0]=1 153 B9R1.112 N[C@@H](CC1CC1)C(=O)O 51301 [0,0,0,1,0,0|0,0,0]=1 154 B9R1.164 CC1(O)CC(C(=O)O)C1 D79169 [0,0,0,1,0,0|2,0,0]=3 155 B9R1.164 O=C(O)C1CC(F)(F)C1 84107 [0,0,0,1,0,0|3,0,0]=4 156 B9R1.169 C[C@]1(C(=O)O)CC1(F)F P15953 [0,0,0,1,0,0|3,0,0]=4 157 B7R0.16 CC(C)C(=O)C(=O)O 31009 [0,0,0,0,1,0|1,0,1]=3 158 B7R0.16 CC(C)C(=O)C(=O)[O-] O12076 [0,0,0,0,1,0|1,0,2]=4 159 B7R0.16 CC(C)C(N)C(C)C F19859 [0,0,0,0,1,0|2,0,1]=4 160 B7R0.16 CC(C)C(N)C(C)C O10602 [0,0,0,0,1,0|2,0,1]=4 161 B7R0.16 CC(C)[C@H](Br)C(=O)O A10761 [0,0,0,0,1,0|1,0,0]=2 162 B7R0.16 CC(C)[C@H](Br)C(=O)O FD1208 [0,0,0,0,1,0|1,0,0]=2 163 B7R0.16 CC(C)[C@H](N)C(=O)O AC7511 [0,0,0,0,1,0|0,0,0]=1 164 B7R0.16 CC(C)[C@H](N)C(N)=O 35750 [0,0,0,0,1,0|1,0,0]=2 165 B7R0.16 CC(C)[C@H](N)C(N)=O F14574 [0,0,0,0,1,0|1,0,0]=2 166 B7R0.16 CC(C)[C@H](O)C(=O)O C10550 [0,0,0,0,1,0|1,0,0]=2 167 B7R0.16 CC(C)[C@H](O)C(=O)O F19720 [0,0,0,0,1,0|1,0,0]=2 168 B7R0.16 CC(C)[C@H](O)C(=O)O S12088 [0,0,0,0,1,0|1,0,0]=2 169 B7R0.16 CC(O)C(N)C(=O)O 39304 [0,0,0,0,1,0|1,0,0]=2 170 B7R0.16 CN(C)C(=O)C(=O)O 70322 [0,0,0,0,1,0|2,0,1]=4 171 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O 73726 [0,0,0,0,1,0|1,0,0]=2 172 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O AC7878 [0,0,0,0,1,0|1,0,0]=2 173 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O D95822 [0,0,0,0,1,0|1,0,0]=2 174 B7R0.16 C[C@@H](O)[C@H](N)C(N)=O AC8031 [0,0,0,0,1,0|2,0,0]=3 175 B7R0.16 C[C@H](O)[C@H](N)C(=O)O 20600 [0,0,0,0,1,0|1,0,0]=2 176 B7R0.16 C[C@H](O)[C@H](N)C(=O)O CX1250 [0,0,0,0,1,0|1,0,0]=2 177 B7R0.16 NC(C(=O)O)C(=O)O F20577 [0,0,0,0,1,0|2,0,1]=4 178 B9R0.7 CC(=O)OC[C@H](N)C(=O)O 50435 [0,0,0,0,0,1|1,0,1]=3 179 B9R0.7 CC(C)CC[C@H](N)C(=O)O 35603 [0,0,0,0,0,1|0,0,0]=1 180 B9R0.7 CC(C)CC[C@H](N)C(=O)O F11532 [0,0,0,0,0,1|0,0,0]=1 181 B9R0.7 CS(=O)CC[C@H](N)C(=O)O F10841 [0,0,0,0,0,1|2,0,0]=3 182 B9R0.7 NC(=O)CC[C@H](N)C(=O)O 23178 [0,0,0,0,0,1|2,0,1]=4 183 B9R0.7 NC(=O)CC[C@H](N)C(=O)O 28640 [0,0,0,0,0,1|2,0,1]=4 184 B9R0.7 NC(=O)CC[C@H](N)C(=O)O D70833 [0,0,0,0,0,1|2,0,1]=4 185 B9R0.7 NC(=O)NC[C@H](N)C(=O)O C90278 [0,0,0,0,0,1|2,0,1]=4 186 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O 28645 [0,0,0,0,0,1|2,0,1]=4 187 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O AC7831 [0,0,0,0,0,1|2,0,1]=4 188 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O D70530 [0,0,0,0,0,1|2,0,1]=4 189 B9R0.53 CC(=O)CC(=O)CC(C)C D91362 [0,0,0,0,0,1|2,0,1]=4 190 B9R0.53 CC(=O)C[C@@H](C)CC(C)C D95694 [0,0,0,0,0,1|2,0,0]=3 191 B9R0.53 CC(C)C[C@H](N)CC(=O)O 52004 [0,0,0,0,0,1|0,0,0]=1 192 B9R0.53 CC(C)C[C@H](N)CC(=O)O 52005 [0,0,0,0,0,1|0,0,0]=1 193 B9R0.53 CC(C)C[C@H](N)CC(=O)O 52006 [0,0,0,0,0,1|0,0,0]=1 194 B6R0.1 C=C[C@@H](O)CCC D90922 [2,0,0,0,0,0|2,0,0]=4 195 B6R0.1 CCC[C@H](N)CO A10468 [2,0,0,0,0,0|0,0,1]=3 196 B6R0.1 CCC[C@H](O)CO 73676 [2,0,0,0,0,0|1,0,1]=4 197 B6R0.2 CC(C)CB(O)O 33194 [2,0,0,0,0,0|2,0,0]=4 198 B6R0.2 CC(C)CC(=O)O D78213 [2,0,0,0,0,0|1,0,1]=4 199 B6R0.2 CC(C)C[C@H](C)N 40017 [2,0,0,0,0,0|0,0,1]=3 200 B6R0.2 CC(C)OC(N)=O D81825 [2,0,0,0,0,0|1,0,1]=4 201 B6R0.2 CC(O)CC(C)O D91996 [2,0,0,0,0,0|2,0,0]=4 202 B6R0.2 C[C@H](N)CN(C)C 76719 [2,0,0,0,0,0|1,0,1]=4 203 B6R0.2 C[C@H](O)CN(C)C D93027 [2,0,0,0,0,0|2,0,0]=4 204 B6R0.2 C[C@H](O)C[C@H](C)O 73920 [2,0,0,0,0,0|2,0,0]=4 205 B6R0.2 C[C@H](O)C[C@H](C)O D74604 [2,0,0,0,0,0|2,0,0]=4 206 B6R0.2 C[C@H](O)C[C@H](C)O T72451 [2,0,0,0,0,0|2,0,0]=4 207 B6R0.4 C#CCCC(=O)O 90045 [2,0,0,0,0,0|0,0,2]=4 208 B6R0.4 C=CCCC(=O)O O12040 [2,0,0,0,0,0|0,0,2]=4 209 B6R0.4 CC(=O)CCCCl D77754 [2,0,0,0,0,0|2,0,0]=4 210 B6R0.4 CC(=O)CCCO 24602 [2,0,0,0,0,0|2,0,0]=4 211 B6R0.4 CC(C)CCCBr O10389 [2,0,0,0,0,0|1,0,1]=4 212 B6R0.4 CC(C)CCCO F20439 [2,0,0,0,0,0|0,0,1]=3 213 B6R0.4 CC(C)NCCO D78491 [2,0,0,0,0,0|1,0,1]=4 214 B6R0.4 CCC#CC(=O)O D84135 [2,0,0,0,0,0|0,0,2]=4 215 B6R0.4 CCCCB(O)O 33151 [2,0,0,0,0,0|1,0,1]=4 216 B6R0.4 CCCCC(=N)N 31933 [2,0,0,0,0,0|2,0,0]=4 217 B6R0.4 CCCCC(=N)N W16181 [2,0,0,0,0,0|2,0,0]=4 218 B6R0.4 CCCCC(=O)[O-] F16484 [2,0,0,0,0,0|0,0,1]=3 219 B6R0.4 CCCCC(N)=O A10835 [2,0,0,0,0,0|1,0,0]=3 220 B6R0.4 CCCNC(C)=O D97464 [2,0,0,0,0,0|2,0,0]=4 221 B6R0.4 CCCOC(N)=O F16337 [2,0,0,0,0,0|2,0,0]=4 222 B6R0.4 CCCSC(C)=O D92148 [2,0,0,0,0,0|2,0,0]=4 223 B6R0.4 CCSCC(=O)O D95699 [2,0,0,0,0,0|1,0,0]=3 224 B6R0.4 CC\C=C\C(=O)O D72497 [2,0,0,0,0,0|0,0,2]=4 225 B6R0.4 CC\C=C\C(=O)O P17755 [2,0,0,0,0,0|0,0,2]=4 226 B6R0.4 CNCCC(=O)O 29150 [2,0,0,0,0,0|1,0,0]=3 227 B6R0.4 CNCCC(=O)O C76064 [2,0,0,0,0,0|1,0,0]=3 228 B6R0.4 COCCC(=O)O F14687 [2,0,0,0,0,0|1,0,0]=3 229 B6R0.4 CSCCC(=O)O D87669 [2,0,0,0,0,0|1,0,0]=3 230 B6R0.4 CSCCC(C)=O D91573 [2,0,0,0,0,0|2,0,0]=4 231 B6R0.4 C[C@H](O)CCCO 22874 [2,0,0,0,0,0|1,0,1]=4 232 B6R0.4 C\C=C\CC(=O)O D92067 [2,0,0,0,0,0|0,0,2]=4 233 B6R0.4 N#CCCC(=O)O 81998 [2,0,0,0,0,0|1,0,1]=4 234 B6R0.4 NCCCC(=O)O D70585 [2,0,0,0,0,0|1,0,0]=3 235 B6R0.4 O=C(Cl)CCCBr P19996 [2,0,0,0,0,0|2,0,0]=4 236 B6R0.4 O=C(O)CCCBr 20498 [2,0,0,0,0,0|1,0,0]=3 237 B6R0.4 O=C(O)CCCCl F19286 [2,0,0,0,0,0|1,0,0]=3 238 B6R0.4 O=C(O)CCCS F20547 [2,0,0,0,0,0|1,0,0]=3 239 B6R0.3 CCC(=O)C(=O)O O10846 [2,0,0,0,0,0|1,0,1]=4 240 B6R0.3 CC[C@H](Br)C(=O)Br D88666 [2,0,0,0,0,0|2,0,0]=4 241 B6R0.3 CC[C@H](Br)C(=O)Cl D89047 [2,0,0,0,0,0|2,0,0]=4 242 B6R0.3 CC[C@H](Br)C(=O)O P18633 [2,0,0,0,0,0|1,0,0]=3 243 B6R0.3 CC[C@H](Br)C(=O)O P18634 [2,0,0,0,0,0|1,0,0]=3 244 B6R0.3 CC[C@H](Br)C(N)=O F30757 [2,0,0,0,0,0|2,0,0]=4 245 B6R0.3 CC[C@H](C)C(=O)O 88657 [2,0,0,0,0,0|1,0,0]=3 246 B6R0.3 CC[C@H](C)C(=O)O 88663 [2,0,0,0,0,0|1,0,0]=3 247 B6R0.3 CC[C@H](Cl)C(=O)O D89205 [2,0,0,0,0,0|1,0,0]=3 248 B6R0.3 CC[C@H](N)C(=O)O 11781 [2,0,0,0,0,0|0,0,0]=2 249 B6R0.3 CC[C@H](N)C(=O)O 23105 [2,0,0,0,0,0|0,0,0]=2 250 B6R0.3 CC[C@H](N)C(=O)O 25309 [2,0,0,0,0,0|0,0,0]=2 251 B6R0.3 CC[C@H](N)C(=O)O 80046 [2,0,0,0,0,0|0,0,0]=2 252 B6R0.3 CC[C@H](N)C(N)=O F11533 [2,0,0,0,0,0|1,0,0]=3 253 B6R0.3 CC[C@H](N)[C@@H](C)O D79477 [2,0,0,0,0,0|1,0,1]=4 254 B6R0.3 CC[C@H](O)C(=O)O 24676 [2,0,0,0,0,0|1,0,0]=3 255 B6R0.3 CC[C@H](O)C(=O)O A11368 [2,0,0,0,0,0|1,0,0]=3 256 B6R0.3 CC[C@H](O)C(=O)O D90822 [2,0,0,0,0,0|1,0,0]=3 257 B6R0.3 CC[C@H](O)C(=O)[O-] S10336 [2,0,0,0,0,0|1,0,1]=4 258 B6R0.3 CC[C@H](O)C(=O)[O-] S10400 [2,0,0,0,0,0|1,0,1]=4 259 B6R0.3 CN[C@@H](C)C(=O)O 28475 [2,0,0,0,0,0|2,0,0]=4 260 B6R0.3 CN[C@@H](C)C(=O)O FD21004 [2,0,0,0,0,0|2,0,0]=4 261 B6R0.3 CN[C@@H](C)C(=O)O FD21006 [2,0,0,0,0,0|2,0,0]=4 262 B6R0.3 CO[C@@H](C)C(=O)O 25435 [2,0,0,0,0,0|2,0,0]=4 263 B6R0.3 CO[C@@H](C)C(=O)O 77786 [2,0,0,0,0,0|2,0,0]=4 264 B6R0.3 CO[C@@H](C)C(=O)O CS1158 [2,0,0,0,0,0|2,0,0]=4 265 B6R0.3 C[C@@H](CBr)C(=O)O A10794 [2,0,0,0,0,0|2,0,0]=4 266 B6R0.3 C[C@@H](CN)C(=O)O 22851 [2,0,0,0,0,0|2,0,0]=4 267 B6R0.3 C[C@@H](CN)C(=O)O 52204 [2,0,0,0,0,0|2,0,0]=4 268 B6R0.3 C[C@@H](CS)C(=O)O D91461 [2,0,0,0,0,0|2,0,0]=4 269 B6R0.3 NC(=O)[C@@H](N)CO 71065 [2,0,0,0,0,0|2,0,0]=4 270 B6R0.3 NC(=O)[C@@H](N)CO FD3061 [2,0,0,0,0,0|2,0,0]=4 271 B6R0.3 NC[C@H](N)C(=O)O 22838 [2,0,0,0,0,0|1,0,0]=3 272 B6R0.3 NC[C@H](N)C(=O)O 51944 [2,0,0,0,0,0|1,0,0]=3 273 B6R0.3 NC[C@H](N)C(=O)O 51945 [2,0,0,0,0,0|1,0,0]=3 274 B6R0.3 NC[C@H](N)C(=O)O FD1046 [2,0,0,0,0,0|1,0,0]=3 275 B6R0.3 NC[C@H](O)C(=O)O 50049 [2,0,0,0,0,0|2,0,0]=4 276 B6R0.3 NC[C@H](O)C(=O)O C10711 [2,0,0,0,0,0|2,0,0]=4 277 B6R0.3 N[C@@H](CCl)C(=O)O 77992 [2,0,0,0,0,0|1,0,0]=3 278 B6R0.3 N[C@@H](CCl)C(=O)O F11547 [2,0,0,0,0,0|1,0,0]=3 279 B6R0.3 N[C@@H](CCl)C(=O)O FD21123 [2,0,0,0,0,0|1,0,0]=3 280 B6R0.3 N[C@@H](CO)C(=O)O 29580 [2,0,0,0,0,0|1,0,0]=3 281 B6R0.3 N[C@@H](CO)C(=O)O 30744 [2,0,0,0,0,0|1,0,0]=3 282 B6R0.3 N[C@@H](CO)C(=O)O D70822 [2,0,0,0,0,0|1,0,0]=3 283 B6R0.3 N[C@@H](CS)C(=O)O 22868 [2,0,0,0,0,0|1,0,0]=3 284 B6R0.3 N[C@@H](CS)C(=O)O 24506 [2,0,0,0,0,0|1,0,0]=3 285 B6R0.3 N[C@@H](CS)C(=O)O 37900 [2,0,0,0,0,0|1,0,0]=3 286 B6R0.3 N[C@@H](CS)C(=O)O AC8040 [2,0,0,0,0,0|1,0,0]=3 287 B6R0.3 N[C@@H](CS)C(=O)O E72644 [2,0,0,0,0,0|1,0,0]=3 288 B6R0.3 N[C@@H](CS)C(=O)O FD21265 [2,0,0,0,0,0|1,0,0]=3 289 B6R0.3 N[C@@H](CS)C(=O)O FD21267 [2,0,0,0,0,0|1,0,0]=3 290 B6R0.3 N[C@@H](CS)C(=O)O FD21272 [2,0,0,0,0,0|1,0,0]=3 291 B6R0.3 N[C@@H](CS)C(=O)O FD3010 [2,0,0,0,0,0|1,0,0]=3 292 B6R0.3 O=C(O)[C@@H](Br)CBr O10565 [2,0,0,0,0,0|2,0,0]=4 293 B6R0.3 O=C(O)[C@@H](Br)CO AB10178 [2,0,0,0,0,0|2,0,0]=4 294 B6R0.3 O=C(O)[C@@H](Cl)CCl D89648 [2,0,0,0,0,0|2,0,0]=4 295 B6R0.3 O=C(O)[C@@H](O)CO A51166 [2,0,0,0,0,0|2,0,0]=4 296 B8R0.16 CC[C@H](CO)CC(C)C A10715 [1,1,0,0,0,0|1,0,1]=4 297 B8R0.34 CC(C)C[C@](C)(N)C#N 20659 [1,1,0,0,0,0|1,0,1]=4 298 B8R0.3 CCC[C@H](C)C(=O)OC D92993 [1,1,0,0,0,0|1,0,0]=3 299 B8R0.3 CCC[C@H](N)C(=O)OC 64049 [1,1,0,0,0,0|0,0,0]=2 300 B8R0.3 CCC[C@H](N)C(=O)OC D83467 [1,1,0,0,0,0|0,0,0]=2 301 B8R0.3 COC(=O)[C@@H](Br)CCBr 61732 [1,1,0,0,0,0|2,0,0]=4 302 B8R0.3 COC(=O)[C@@H](C)CCCl D89391 [1,1,0,0,0,0|2,0,0]=4 303 B8R0.3 COC[C@H](Br)C(=O)OC A10668 [1,1,0,0,0,0|2,0,0]=4 304 B8R0.8 CCCC[C@H](Br)C(=O)O H11951 [1,1,0,0,0,0|1,0,0]=3 305 B8R0.8 CCCC[C@H](C)C(=O)O D91409 [1,1,0,0,0,0|1,0,0]=3 306 B8R0.8 CCCC[C@H](N)C(=O)O 73275 [1,1,0,0,0,0|0,0,0]=2 307 B8R0.8 CCCC[C@H](N)C(=O)O FD3031 [1,1,0,0,0,0|0,0,0]=2 308 B8R0.8 CCCC[C@H](N)C(=O)O FD3085 [1,1,0,0,0,0|0,0,0]=2 309 B8R0.8 CSCCC(O)C(=O)[O-] A51087 [1,1,0,0,0,0|1,0,1]=4 310 B8R0.8 CSCC[C@H](N)C(=O)O 30742 [1,1,0,0,0,0|0,0,0]=2 311 B8R0.8 CSCC[C@H](N)C(=O)O D70895 [1,1,0,0,0,0|0,0,0]=2 312 B8R0.8 CSCC[C@H](N)C(=O)O D72471 [1,1,0,0,0,0|0,0,0]=2 313 B8R0.8 CSCC[C@H](N)C(=O)[O-] D70450 [1,1,0,0,0,0|0,0,1]=3 314 B8R0.8 CSCC[C@H](N)C(N)=O F10669 [1,1,0,0,0,0|1,0,0]=3 315 B8R0.8 CSCC[C@H](O)C(=O)O H11809 [1,1,0,0,0,0|1,0,0]=3 316 B8R0.8 C[Se]CC[C@H](N)C(=O)O D92258 [1,1,0,0,0,0|0,0,0]=2 317 B8R0.8 NCCC[C@H](N)C(=O)O 28202 [1,1,0,0,0,0|0,0,0]=2 318 B8R0.8 NCCC[C@H](N)C(=O)O 28697 [1,1,0,0,0,0|0,0,0]=2 319 B8R0.8 NCCC[C@H](N)C(=O)O AC1496 [1,1,0,0,0,0|0,0,0]=2 320 B8R0.8 NCCC[C@H](N)C(=O)O D70545 [1,1,0,0,0,0|0,0,0]=2 321 B8R0.8 NCCC[C@H](N)C(=O)O D91796 [1,1,0,0,0,0|0,0,0]=2 322 B8R0.8 NCCC[C@H](N)C(=O)O F17224 [1,1,0,0,0,0|0,0,0]=2 323 B8R0.12 CCOC(C)(C)C(=O)O 28332 [1,1,0,0,0,0|2,0,0]=4 324 B8R0.9 CC(=O)OC[C@H](C)CBr AB6423 [1,1,0,0,0,0|2,0,0]=4 325 B8R0.9 CC(C)CNC(=O)CCl F20035 [1,1,0,0,0,0|2,0,0]=4 326 B8R0.9 CCC(=O)CCC(=O)O D93322 [1,1,0,0,0,0|1,0,1]=4 327 B8R0.9 CCC(=O)NCC(C)C AC2518 [1,1,0,0,0,0|2,0,0]=4 328 B8R0.9 COC(=O)CCC(=O)O 73736 [1,1,0,0,0,0|1,0,1]=4 329 B8R0.9 COC(=O)CCC(C)=O H11992 [1,1,0,0,0,0|1,0,1]=4 330 B8R0.9 COC(=O)CCN(C)C 32618 [1,1,0,0,0,0|1,0,0]=3 331 B8R0.9 NCC(=O)CCC(=O)O 22878 [1,1,0,0,0,0|1,0,1]=4 332 B8R0.29 CC(C)(C)CCC(=O)O AB7068 [1,1,0,0,0,0|0,0,0]=2 333 B8R0.29 CC(C)(C)NCC(=O)O FD21623 [1,1,0,0,0,0|1,0,0]=3 334 B8R0.29 CC(C)(C)OCC(=O)O D70768 [1,1,0,0,0,0|1,0,0]=3 335 B8R0.29 CC(C)(C)\C=C\C(=O)O Y13469 [1,1,0,0,0,0|0,0,2]=4 336 B8R0.29 CC(C)(N)CNC(N)=O 46043 [1,1,0,0,0,0|2,0,0]=4 337 B8R0.29 CC(C)CCS(=O)(=O)Cl D82374 [1,1,0,0,0,0|1,0,1]=4 338 B8R0.29 CS(=O)(=O)CCC(=O)O 71326 [1,1,0,0,0,0|2,0,0]=4 339 B8R0.29 O=C(O)CCC(Cl)(Cl)Cl D95675 [1,1,0,0,0,0|2,0,0]=4 340 B8R0.29 O=C(O)CCC(F)(F)F 69294 [1,1,0,0,0,0|2,0,0]=4 341 B8R0.18 CN[C@H](C(=O)O)C(C)C 78310 [0,1,0,0,1,0|0,0,0]=2 342 B8R0.18 CN[C@H](C(=O)O)C(C)C C10356 [0,1,0,0,1,0|0,0,0]=2 343 B8R0.18 CN[C@H](C(=O)O)C(C)C C73626 [0,1,0,0,1,0|0,0,0]=2 344 B8R0.27 CC(C)(C)C(=O)C(=O)O SC1212 [0,1,0,0,1,0|1,0,1]=4 345 B8R0.27 CC(C)(C)[C@H](N)C(=O)O 27215 [0,1,0,0,1,0|0,0,0]=2 346 B8R0.27 CC(C)(C)[C@H](N)C(=O)O 63540 [0,1,0,0,1,0|0,0,0]=2 347 B8R0.27 CC(C)(C)[C@H](N)C(=O)O 63542 [0,1,0,0,1,0|0,0,0]=2 348 B8R0.27 CC(C)(C)[C@H](N)C(N)=O F14387 [0,1,0,0,1,0|1,0,0]=3 349 B8R0.27 CC(C)(S)[C@H](N)C(=O)O C11446 [0,1,0,0,1,0|0,0,0]=2 350 B8R0.27 CC(C)(S)[C@H](N)C(=O)O P15236 [0,1,0,0,1,0|0,0,0]=2 351 B8R0.27 N[C@H](C(=O)O)C(F)(F)F N12407 [0,1,0,0,1,0|2,0,0]=4 352 B8R0.37 CC(C)[C@](C)(N)C(=O)O D94633 [0,1,0,0,1,0|0,0,0]=2 353 B8R0.37 CC(C)[C@](C)(N)C(=O)O F15062 [0,1,0,0,1,0|0,0,0]=2 354 B8R0.37 CC(C)[C@](C)(N)C(N)=O O10642 [0,1,0,0,1,0|1,0,0]=3 355 B10R0.82 COC(=O)CC[C@H](N)C(=O)O 23115 [0,1,0,0,0,1|1,0,1]=4 356 B10R0.82 COC(=O)CC[C@H](N)C(=O)O FD21425 [0,1,0,0,0,1|1,0,1]=4 357 B10R0.82 COC(=O)CC[C@H](N)C(=O)O FD21478 [0,1,0,0,0,1|1,0,1]=4 358 B10R0.92 CC(C)(C)OC[C@H](N)C(=O)O 74096 [0,1,0,0,0,1|0,0,0]=2 359 B10R0.92 CC(C)(C)OC[C@H](N)C(=O)O F10712 [0,1,0,0,0,1|0,0,0]=2 360 B10R0.92 CC(C)(C)SC[C@H](N)C(=O)O FD21239 [0,1,0,0,0,1|0,0,0]=2 361 B10R0.92 CC(C)(C)SC[C@H](N)C(=O)O FD21275 [0,1,0,0,0,1|0,0,0]=2 362 B10R0.92 CP(=O)(O)CCC(N)C(=O)O F20360 [0,1,0,0,0,1|2,0,0]=4 363 B10R0.92 CS(=O)(=O)CC[C@H](N)C(=O)O D91280 [0,1,0,0,0,1|2,0,0]=4 364 B10R0.92 CS(=O)(=O)CC[C@H](N)C(=O)O F11012 [0,1,0,0,0,1|2,0,0]=4 365 B10R0.31 C[C@H](CC(=O)Cl)CC(C)(C)C D92424 [0,1,0,0,0,1|2,0,0]=4 366 B10R0.31 C[N+](C)(C)C[C@@H](O)CC(=O)O D70668 [0,1,0,0,0,1|2,0,0]=4 367 B10R0.31 C[N+](C)(C)C[C@@H](O)CC(=O)O D95825 [0,1,0,0,0,1|2,0,0]=4 368 B10R0.44 COC(=O)CC(=O)CC(C)C S11515 [0,1,0,0,0,1|1,0,1]=4 369 B10R0.70 CC(C)C[C@H](CN)CC(=O)O 67949 [0,1,0,0,0,1|0,0,0]=2 370 B10R0.32 CCOC(=O)[C@@H](N)CC(C)C 39402 [0,2,0,0,0,0|0,0,0]=2 371 B10R0.32 CCOC(=O)[C@@H](O)CC(C)C 61990 [0,2,0,0,0,0|1,0,0]=3 372 B10R0.46 COC(=O)C[C@H](N)C(=O)OC 20564 [0,2,0,0,0,0|1,0,1]=4 373 B10R0.46 COC(=O)C[C@H](N)C(=O)OC 39370 [0,2,0,0,0,0|1,0,1]=4 374 B10R0.46 COC(=O)C[C@H](N)C(=O)OC W13852 [0,2,0,0,0,0|1,0,1]=4 375 B10R0.54 CC[C@H](NC(C)C)C(=O)OC SC5064 [0,2,0,0,0,0|2,0,0]=4 376 B10R0.23 CC(C)C[C@H](NC=O)C(=O)O C13231 [0,2,0,0,0,0|0,0,0]=2 377 B10R0.23 CC(C)C[C@H](NC=O)C(=O)O I11527 [0,2,0,0,0,0|0,0,0]=2 378 B8R1.1 OC[C@@H]1C[C@H](F)CN1 72275 [1,0,0,1,0,0|1,0,1]=4 379 B8R1.1 OC[C@@H]1C[C@H](O)CN1 P18712 [1,0,0,1,0,0|1,0,1]=4 380 B8R1.1 OC[C@H]1C[C@H](O)CN1 62331 [1,0,0,1,0,0|1,0,1]=4 381 B8R1.1 OC[C@H]1C[C@H](O)CN1 P17328 [1,0,0,1,0,0|1,0,1]=4 382 B8R1.4 CC1CCCC(N)C1 33432 [1,0,0,1,0,0|1,0,1]=4 383 B8R1.5 C[C@H]1CCCNC1=O P10093 [1,0,0,1,0,0|2,0,0]=4 384 B8R1.5 NC1CCCCC1O AB10042 [1,0,0,1,0,0|1,0,1]=4 385 B8R1.5 N[C@@H]1CCCC[C@@H]1O 67886 [1,0,0,1,0,0|1,0,1]=4 386 B8R1.5 N[C@@H]1CCCC[C@@H]1O 67887 [1,0,0,1,0,0|1,0,1]=4 387 B8R1.5 N[C@@H]1CCCC[C@@H]1O A51241 [1,0,0,1,0,0|1,0,1]=4 388 B8R1.5 N[C@H]1CCCC[C@@H]1O 22869 [1,0,0,1,0,0|1,0,1]=4 389 B8R1.5 N[C@H]1CCCC[C@@H]1O 28325 [1,0,0,1,0,0|1,0,1]=4 390 B8R1.5 N[C@H]1CCCC[C@@H]1O 67740 [1,0,0,1,0,0|1,0,1]=4 391 B8R1.5 N[C@H]1CCCC[C@@H]1O 67741 [1,0,0,1,0,0|1,0,1]=4 392 B8R1.5 N[C@H]1CCCC[C@@H]1O 74387 [1,0,0,1,0,0|1,0,1]=4 393 B8R1.5 N[C@H]1CCCC[C@@H]1O H10809 [1,0,0,1,0,0|1,0,1]=4 394 B8R1.5 N[C@H]1CCCNC1=O 23329 [1,0,0,1,0,0|1,0,0]=3 395 B8R1.5 N[C@H]1CCCNC1=O 27952 [1,0,0,1,0,0|1,0,0]=3 396 B8R1.5 N[C@H]1CCCNC1=O 51547 [1,0,0,1,0,0|1,0,0]=3 397 B8R1.5 O=C1CCCC[C@@H]1Br 67635 [1,0,0,1,0,0|2,0,0]=4 398 B8R1.5 O=C1CCCC[C@@H]1Cl AC1582 [1,0,0,1,0,0|2,0,0]=4 399 B8R1.5 O=C1CCCC[C@@H]1F W17462 [1,0,0,1,0,0|2,0,0]=4 400 B8R1.7 CC(=O)C1CCCC1 83754 [1,0,0,1,0,0|2,0,0]=4 401 B8R1.7 NC(=O)C1CCCC1 20928 [1,0,0,1,0,0|2,0,0]=4 402 B8R1.7 NC(=O)[C@@H]1CCCN1 59577 [1,0,0,1,0,0|1,0,0]=3 403 B8R1.7 NC(=O)[C@@H]1CCCN1 59579 [1,0,0,1,0,0|1,0,0]=3 404 B8R1.7 NC(=O)[C@@H]1CCCN1 59581 [1,0,0,1,0,0|1,0,0]=3 405 B8R1.7 NC(=O)[C@@H]1CCCN1 AC8100 [1,0,0,1,0,0|1,0,0]=3 406 B8R1.7 NC(=O)[C@@H]1CCCN1 F10562 [1,0,0,1,0,0|1,0,0]=3 407 B8R1.7 NC(=O)[C@@H]1CCCN1 P10052 [1,0,0,1,0,0|1,0,0]=3 408 B8R1.7 NC(=O)[C@@H]1CCCO1 30997 [1,0,0,1,0,0|2,0,0]=4 409 B8R1.7 O=C(Cl)C1CCCC1 D89509 [1,0,0,1,0,0|2,0,0]=4 410 B8R1.7 O=C(O)C1=CCCC1 C10074 [1,0,0,1,0,0|1,0,1]=4 411 B8R1.7 O=C(O)C1CCCC1 34069 [1,0,0,1,0,0|1,0,0]=3 412 B8R1.7 O=C(O)[C@@H]1C=CCN1 60104 [1,0,0,1,0,0|0,0,2]=4 413 B8R1.7 O=C(O)[C@@H]1C=CCN1 60105 [1,0,0,1,0,0|0,0,2]=4 414 B8R1.7 O=C(O)[C@@H]1CCCN1 30759 [1,0,0,1,0,0|0,0,0]=2 415 B8R1.7 O=C(O)[C@@H]1CCCN1 69586 [1,0,0,1,0,0|0,0,0]=2 416 B8R1.7 O=C(O)[C@@H]1CCCN1 P17692 [1,0,0,1,0,0|0,0,0]=2 417 B8R1.7 O=C(O)[C@@H]1CCCO1 30805 [1,0,0,1,0,0|1,0,0]=3 418 B8R1.7 O=C(O)[C@@H]1CCCO1 66521 [1,0,0,1,0,0|1,0,0]=3 419 B8R1.7 O=C(O)[C@@H]1CCCO1 74188 [1,0,0,1,0,0|1,0,0]=3 420 B8R1.7 O=C(O)[C@@H]1CCCS1 72166 [1,0,0,1,0,0|1,0,0]=3 421 B8R1.7 O=C(O)[C@@H]1CSCN1 26064 [1,0,0,1,0,0|1,0,0]=3 422 B8R1.7 O=C(O)[C@@H]1CSCN1 D97373 [1,0,0,1,0,0|1,0,0]=3 423 B8R1.7 O=C(O)[C@@H]1CSCN1 O10231 [1,0,0,1,0,0|1,0,0]=3 424 B8R1.7 O=C(O)[C@H]1CCNC1 27256 [1,0,0,1,0,0|2,0,0]=4 425 B8R1.7 O=C(O)[C@H]1CCNC1 65300 [1,0,0,1,0,0|2,0,0]=4 426 B8R1.7 O=C(O)[C@H]1CCNC1 65301 [1,0,0,1,0,0|2,0,0]=4 427 B8R1.7 O=C(O)[C@H]1CCNC1 65434 [1,0,0,1,0,0|2,0,0]=4 428 B8R1.7 O=C(O)[C@H]1CCOC1 66518 [1,0,0,1,0,0|2,0,0]=4 429 B8R1.7 O=C(O)[C@H]1NCCS1 F10465 [1,0,0,1,0,0|1,0,0]=3 430 B8R1.23 CC1CC(C(=O)O)C1 84166 [1,0,0,1,0,0|1,0,0]=3 431 B8R1.23 CN1CC(C(=O)O)C1 26233 [1,0,0,1,0,0|2,0,0]=4 432 B8R1.23 O=C(O)C1CC(Cl)C1 P10434 [1,0,0,1,0,0|2,0,0]=4 433 B8R1.23 O=C(O)C1CC(O)C1 25649 [1,0,0,1,0,0|2,0,0]=4 434 B8R1.23 O=C(O)[C@H]1C[C@@H](O)C1 38898 [1,0,0,1,0,0|2,0,0]=4 435 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 P12186 [1,0,0,1,0,0|2,0,0]=4 436 B8R1.23 O=C1C[C@@H](C(=O)O)N1 31388 [1,0,0,1,0,0|1,0,1]=4 437 B8R1.54 N[C@H](C(=O)O)C1CC1 59336 [1,0,0,1,0,0|0,0,0]=2 438 B8R1.54 N[C@H](C(=O)O)C1CC1 83153 [1,0,0,1,0,0|0,0,0]=2 439 B8R1.54 O=C(O)C(=O)C1CC1 36361 [1,0,0,1,0,0|1,0,1]=4 440 B8R1.78 CC1(C(=O)O)CCC1 26919 [1,0,0,1,0,0|1,0,0]=3 441 B8R1.78 CC1(C(=O)O)CNC1 P16026 [1,0,0,1,0,0|2,0,0]=4 442 B8R1.78 CC1(C(=O)O)COC1 52949 [1,0,0,1,0,0|2,0,0]=4 443 B8R1.78 NC1(C(=O)O)CCC1 55032 [1,0,0,1,0,0|0,0,0]=2 444 B8R1.78 NC1(C(=O)O)CCC1 67754 [1,0,0,1,0,0|0,0,0]=2 445 B8R1.78 NC1(C(=O)O)COC1 67330 [1,0,0,1,0,0|1,0,0]=3 446 B8R1.78 O=C(O)C1(Br)CCC1 CL4587 [1,0,0,1,0,0|1,0,0]=3 447 B8R1.3 CC1CCC(=O)CC1 P20542 [1,0,0,1,0,0|1,0,0]=3 448 B8R1.3 CN1CCC(=O)CC1 67677 [1,0,0,1,0,0|2,0,0]=4 449 B8R1.3 NC1CCC(=O)CC1 24439 [1,0,0,1,0,0|2,0,0]=4 450 B8R1.3 N[C@H]1CCC(=O)NC1 P10247 [1,0,0,1,0,0|2,0,0]=4 451 B8R1.3 O=C1CCC(O)CC1 24546 [1,0,0,1,0,0|2,0,0]=4 452 B8R1.3 O=C1CC[C@H](O)CN1 62216 [1,0,0,1,0,0|2,0,0]=4 453 B8R1.3 O=C1CC[C@H](O)CN1 62217 [1,0,0,1,0,0|2,0,0]=4 454 B8R1.35 O=C(O)CCC1CC1 68386 [1,0,0,1,0,0|0,0,0]=2 455 B8R1.35 O=C(O)\C=C\C1CC1 P15370 [1,0,0,1,0,0|0,0,2]=4 456 B8R1.77 CC1(C)CC1C(N)=O 60322 [1,0,0,1,0,0|1,0,0]=3 457 B8R1.77 CC1(C)C[C@@H]1C(=O)O CL4550 [1,0,0,1,0,0|0,0,0]=2 458 B8R1.77 CC1(C)C[C@@H]1C(=O)O P17495 [1,0,0,1,0,0|0,0,0]=2 459 B8R1.77 CC1(C)C[C@@H]1C(N)=O 36676 [1,0,0,1,0,0|1,0,0]=3 460 B8R1.77 O=C(O)[C@H]1CC1(F)F 71486 [1,0,0,1,0,0|2,0,0]=4 461 B8R1.50 O=C1OC[C@H](O)[C@@H]1O S11960 [0,0,0,1,1,0|2,0,0]=4 462 B10R1.13 CC1CCC(C(=O)O)CC1 S12052 [0,0,0,1,0,1|1,0,0]=3 463 B10R1.13 CN1CCC(C(=O)O)CC1 64217 [0,0,0,1,0,1|2,0,0]=4 464 B10R1.13 CN1CCC(C(=O)O)CC1 AB1543 [0,0,0,1,0,1|2,0,0]=4 465 B10R1.13 C[C@H]1CC[C@H](C(=O)O)CC1 71079 [0,0,0,1,0,1|1,0,0]=3 466 B10R1.13 NC1CCC(C(=O)O)CC1 20592 [0,0,0,1,0,1|2,0,0]=4 467 B10R1.13 N[C@H]1CC[C@@H](C(=O)O)CC1 51515 [0,0,0,1,0,1|2,0,0]=4 468 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 51510 [0,0,0,1,0,1|2,0,0]=4 469 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 51511 [0,0,0,1,0,1|2,0,0]=4 470 B10R1.13 O=C(O)C1CCC(O)CC1 85341 [0,0,0,1,0,1|2,0,0]=4 471 B10R1.13 O=C(O)[C@H]1CC[C@@H](O)CC1 P10288 [0,0,0,1,0,1|2,0,0]=4 472 B10R1.13 O=C(O)[C@H]1CC[C@H](O)CC1 P10217 [0,0,0,1,0,1|2,0,0]=4 473 B10R1.359 CC1(C)OC[C@@H](C(=O)[O-])O1 RB3080 [0,0,0,1,0,1|1,0,1]=4 474 B10R1.470 CN1CC[C@](C)(C(=O)O)C1 78872 [0,0,0,1,0,1|2,0,0]=4 475 B10R1.54 CC(C)C[C@@H]1CNC(=O)C1 21282 [0,0,0,1,0,1|2,0,0]=4 476 B10R1.54 CC(C)C[C@@H]1CNC(=O)C1 Y10581 [0,0,0,1,0,1|2,0,0]=4 477 B10R1.54 CC(C)C[C@H]1COC(=O)N1 AC1174 [0,0,0,1,0,1|1,0,0]=3 478 B10R1.329 CC1(C)CC(=O)C=C(N)C1 84127 [0,0,0,1,0,1|1,0,1]=4 479 B10R1.329 C[C@@H]1CC(=O)CC(C)(C)C1 AT10301 [0,0,0,1,0,1|2,0,0]=4 480 B10R1.14 COC(=O)C1CCC(N)C1 31701 [0,1,0,1,0,0|2,0,0]=4 481 B10R1.14 COC(=O)[C@@H]1CC[C@H](N)C1 P15683 [0,1,0,1,0,0|2,0,0]=4 482 B10R1.14 COC(=O)[C@@H]1C[C@@H](O)CN1 21005 [0,1,0,1,0,0|1,0,0]=3 483 B10R1.14 COC(=O)[C@@H]1C[C@@H](O)CN1 28347 [0,1,0,1,0,0|1,0,0]=3 484 B10R1.14 COC(=O)[C@@H]1C[C@H](O)CN1 23840 [0,1,0,1,0,0|1,0,0]=3 485 B10R1.14 COC(=O)[C@@H]1C[C@H](O)CN1 62580 [0,1,0,1,0,0|1,0,0]=3 486 B10R1.184 COC(=O)[C@@H](N)CC1CC1 D80594 [0,1,0,1,0,0|0,0,0]=2 487 B10R1.424 COC(=O)C1(C)CC(O)C1 P13532 [0,1,0,1,0,0|2,0,0]=4 488 B10R1.113 CC1CCCC(C(=O)O)N1 D81681 [0,1,0,1,0,0|2,0,0]=4 489 B10R1.113 CN1CCC[C@H](C(=O)O)C1 29837 [0,1,0,1,0,0|2,0,0]=4 490 B10R1.113 CN1CCC[C@H](C(=O)O)C1 AB1542 [0,1,0,1,0,0|2,0,0]=4 491 B10R1.113 NC1CCCC(C(=O)O)C1 O10942 [0,1,0,1,0,0|2,0,0]=4 492 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 P11018 [0,1,0,1,0,0|2,0,0]=4 493 B10R1.113 O=C(O)C1CNCC(O)C1 30497 [0,1,0,1,0,0|1,0,0]=3 494 B10R1.113 O=C(O)C1CNCC(O)C1 69575 [0,1,0,1,0,0|1,0,0]=3 495 B10R1.361 CC(C)N1CC[C@H]1C(=O)O 62906 [0,1,0,1,0,0|2,0,0]=4 496 B10R1.118 C[C@H]1C[C@@H](C)C(=O)OC1=O AC1086 [0,1,0,1,0,0|1,0,1]=4 497 B10R1.204 N[C@@H](CC1CCC1)C(=O)O 59421 [0,1,0,1,0,0|0,0,0]=2 498 B8R0.28 CC(=O)CCC=C(C)C D77716 [1,0,0,0,0,1|1,0,1]=4 499 B8R0.28 CC(=O)CCCC(=O)O TD8115 [1,0,0,0,0,1|1,0,1]=4 500 B8R0.28 CC(=O)CCCC(C)C D81757 [1,0,0,0,0,1|1,0,0]=3 501 B8R0.28 CC(=O)NCCC(=O)O 50398 [1,0,0,0,0,1|1,0,1]=4 502 B8R0.28 CC(=O)OCCN(C)C D88355 [1,0,0,0,0,1|2,0,0]=4 503 B8R0.28 CC(=O)SCCC(=O)O N12196 [1,0,0,0,0,1|1,0,1]=4 504 B8R0.28 CC(C)COCC(=O)O D79193 [1,0,0,0,0,1|0,0,0]=2 505 B8R0.28 CN(C)CCCC(=O)O F14882 [1,0,0,0,0,1|1,0,0]=3 506 B8R0.28 CN(C)C\C=C\C(=O)O 23615 [1,0,0,0,0,1|1,0,1]=4