0 B8R0.2 CCC(C)C(N)C(=O)O 12389 [0,0,0,0,0,0|0,0,0]=0 1 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O 17263 [0,0,0,0,0,0|0,0,0]=0 2 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O 15615 [0,0,0,0,0,0|0,0,0]=0 3 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O 12311 [0,0,0,0,0,0|0,0,0]=0 4 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O 21625 [0,0,0,0,0,0|0,0,0]=0 5 B8R0.2 CC[C@H](C)[C@H](N)C(N)=O 34990 [0,0,0,0,0,0|1,0,0]=1 6 B8R0.2 COC(=O)C(N)C(C)=O 24594 [0,0,0,0,0,0|3,0,1]=4 7 B8R0.2 CO[C@@H](C)[C@@H](N)C(=O)O 35398 [0,0,0,0,0,0|1,0,0]=1 8 B8R0.2 CO[C@@H](C)[C@H](N)C(=O)O 20963 [0,0,0,0,0,0|1,0,0]=1 9 B8R0.2 O=C(O)[C@H](O)[C@@H](O)CO 18483 [0,0,0,0,0,0|3,0,0]=3 10 B8R0.2 O=C([O-])[C@H](O)[C@@H](O)CO 21064 [0,0,0,0,0,0|3,0,1]=4 11 B7R0.2 C=CC(C)CC(=O)O 21406 [1,0,0,0,0,0|0,0,2]=3 12 B7R0.2 CCC(=O)CC(C)=O 24813 [1,0,0,0,0,0|2,0,1]=4 13 B7R0.2 CCC(C)CC(=O)O 11272 [1,0,0,0,0,0|0,0,0]=1 14 B7R0.2 CCC(N)CC(=O)O 13448 [1,0,0,0,0,0|1,0,0]=2 15 B7R0.2 CC[C@@H](C)CC(=O)O 11275 [1,0,0,0,0,0|0,0,0]=1 16 B7R0.2 CC[C@H](C)CC(=O)O 11273 [1,0,0,0,0,0|0,0,0]=1 17 B7R0.2 CC\C(C)=C\C(=O)O 13986 [1,0,0,0,0,0|0,0,2]=3 18 B7R0.2 NC[C@@H](O)CC(=O)O 5723 [1,0,0,0,0,0|2,0,0]=3 19 B7R0.2 NC[C@H](O)CC(=O)O 5722 [1,0,0,0,0,0|2,0,0]=3 20 B7R0.2 N[C@H](CO)CC(=O)O 30050 [1,0,0,0,0,0|2,0,0]=3 21 B7R0.2 N[C@H](CO)CC(=O)O 30146 [1,0,0,0,0,0|2,0,0]=3 22 B7R0.5 C#CC[C@@H](N)C(=O)O 27328 [1,0,0,0,0,0|0,0,2]=3 23 B7R0.5 C#CC[C@@H](N)C(=O)O 29746 [1,0,0,0,0,0|0,0,2]=3 24 B7R0.5 C#CC[C@H](N)C(=O)O 29745 [1,0,0,0,0,0|0,0,2]=3 25 B7R0.5 C#CC[C@H](N)C(=O)O 30431 [1,0,0,0,0,0|0,0,2]=3 26 B7R0.5 C=CC[C@@H](N)C(=O)O 29739 [1,0,0,0,0,0|0,0,2]=3 27 B7R0.5 C=CC[C@H](N)C(=O)O 29738 [1,0,0,0,0,0|0,0,2]=3 28 B7R0.5 CCCC(C)C(=O)Cl 21794 [1,0,0,0,0,0|2,0,0]=3 29 B7R0.5 CCCC(C)C(=O)O 2465 [1,0,0,0,0,0|1,0,0]=2 30 B7R0.5 CCC[C@H](C)C(=O)O 5642 [1,0,0,0,0,0|1,0,0]=2 31 B7R0.5 CCC[C@H](N)C(=O)O 5727 [1,0,0,0,0,0|0,0,0]=1 32 B7R0.5 NC(CCO)C(=O)O 13833 [1,0,0,0,0,0|1,0,0]=2 33 B7R0.5 NC(CCS)C(=O)O 19432 [1,0,0,0,0,0|1,0,0]=2 34 B7R0.5 NCCC(N)C(=O)O 13824 [1,0,0,0,0,0|1,0,0]=2 35 B7R0.5 NCCC(N)C(=O)O 14752 [1,0,0,0,0,0|1,0,0]=2 36 B7R0.5 NCCC(O)C(=O)O 23215 [1,0,0,0,0,0|2,0,0]=3 37 B7R0.5 NCC[C@@H](N)C(=O)O 14751 [1,0,0,0,0,0|1,0,0]=2 38 B7R0.5 NCC[C@H](N)C(=O)O 35110 [1,0,0,0,0,0|1,0,0]=2 39 B7R0.5 NCC[C@H](O)C(=O)O 5719 [1,0,0,0,0,0|2,0,0]=3 40 B7R0.5 N[C@@H](CCBr)C(=O)O 13813 [1,0,0,0,0,0|1,0,0]=2 41 B7R0.5 N[C@@H](CCO)C(=O)O 11050 [1,0,0,0,0,0|1,0,0]=2 42 B7R0.5 N[C@@H](CCS)C(=O)O 26604 [1,0,0,0,0,0|1,0,0]=2 43 B7R0.5 N[C@H](CCO)C(=O)O 13826 [1,0,0,0,0,0|1,0,0]=2 44 B7R0.5 O=C(Cl)C(Br)CCBr 22805 [1,0,0,0,0,0|3,0,0]=4 45 B7R0.5 O=C(O)[C@@H](O)CCO 16051 [1,0,0,0,0,0|2,0,0]=3 46 B7R0.16 CC(C)C(N)B(O)O 33617 [1,0,0,0,0,0|1,0,1]=3 47 B7R0.16 CC(C)[C@@H](N)C(=O)O 11138 [1,0,0,0,0,0|0,0,0]=1 48 B7R0.16 CC(C)[C@H](Br)C(=O)O 13816 [1,0,0,0,0,0|1,0,0]=2 49 B7R0.16 CC(C)[C@H](Cl)C(=O)O 8294 [1,0,0,0,0,0|1,0,0]=2 50 B7R0.16 CC(C)[C@H](N)C(=O)O 23325 [1,0,0,0,0,0|0,0,0]=1 51 B7R0.16 CC(C)[C@H](N)C(N)=O 34993 [1,0,0,0,0,0|1,0,0]=2 52 B7R0.16 CC(C)[C@H](O)C(=O)O 8274 [1,0,0,0,0,0|1,0,0]=2 53 B7R0.16 CC(O)C(N)C(=O)O 12340 [1,0,0,0,0,0|1,0,0]=2 54 B7R0.16 CC(O)C(N)C(=O)O 20724 [1,0,0,0,0,0|1,0,0]=2 55 B7R0.16 CN(C)C(=O)C(=O)O 12917 [1,0,0,0,0,0|2,0,1]=4 56 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O 19051 [1,0,0,0,0,0|1,0,0]=2 57 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O 13029 [1,0,0,0,0,0|1,0,0]=2 58 B7R0.16 C[C@H](O)[C@H](N)C(=O)O 24868 [1,0,0,0,0,0|1,0,0]=2 59 B9R0.6 CCCC(N)C(O)C(=O)O 9691 [0,1,0,0,0,0|2,0,0]=3 60 B9R0.6 CCC[C@H](N)[C@H](O)C(=O)O 24508 [0,1,0,0,0,0|2,0,0]=3 61 B9R0.27 CC[C@H](C)[C@H](N)C(=O)OC 10894 [0,1,0,0,0,0|0,0,0]=1 62 B9R0.27 COC(=O)C(Br)C(Br)CBr 13761 [0,1,0,0,0,0|3,0,0]=4 63 B9R0.79 CC(C(=O)O)C(N)C(=O)O 10166 [0,1,0,0,0,0|1,0,1]=3 64 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O 23256 [0,0,0,1,0,0|2,0,0]=3 65 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O 19520 [0,0,0,1,0,0|2,0,0]=3 66 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O 23258 [0,0,0,1,0,0|2,0,0]=3 67 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O 23259 [0,0,0,1,0,0|2,0,0]=3 68 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O 27193 [0,0,0,1,0,0|2,0,0]=3 69 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O 23257 [0,0,0,1,0,0|2,0,0]=3 70 B9R0.23 CC[C@@H](O)[C@@H](N)CC(=O)O 24539 [0,0,0,0,0,1|1,0,0]=2 71 B9R0.23 CC[C@@H](O)[C@H](N)CC(=O)O 24537 [0,0,0,0,0,1|1,0,0]=2 72 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O 30096 [0,0,0,0,0,1|0,0,0]=1 73 B9R0.23 CC[C@H](O)[C@@H](N)CC(=O)O 24538 [0,0,0,0,0,1|1,0,0]=2 74 B9R0.23 CC[C@H](O)[C@H](N)CC(=O)O 24536 [0,0,0,0,0,1|1,0,0]=2 75 B9R0.23 COC(=O)C(N)CC(=O)O 25026 [0,0,0,0,0,1|2,0,1]=4 76 B9R0.23 COC(=O)[C@@H](N)CC(=O)O 13176 [0,0,0,0,0,1|2,0,1]=4 77 B9R0.23 COC(=O)[C@H](N)CC(=O)O 25017 [0,0,0,0,0,1|2,0,1]=4 78 B9R0.42 CNC(=O)C[C@@H](N)C(=O)O 13169 [0,0,0,0,0,1|2,0,1]=4 79 B9R0.42 CNC(=O)C[C@H](N)C(=O)O 13168 [0,0,0,0,0,1|2,0,1]=4 80 B9R0.42 COC(=O)C[C@H](N)C(=O)O 14916 [0,0,0,0,0,1|2,0,1]=4 81 B6R0.1 CCC(C)CCO 35939 [2,0,0,0,0,0|0,0,1]=3 82 B6R0.1 COC(C)CCO 35942 [2,0,0,0,0,0|1,0,1]=4 83 B6R0.1 C[C@H](CO)CCO 30370 [2,0,0,0,0,0|1,0,1]=4 84 B6R0.2 CC(C)=CC(=O)O 21295 [2,0,0,0,0,0|0,0,2]=4 85 B6R0.2 CC(C)CB(O)O 7976 [2,0,0,0,0,0|1,0,1]=4 86 B6R0.2 CC(O)CC(=O)O 13860 [2,0,0,0,0,0|1,0,0]=3 87 B6R0.2 CN(C)CC(=O)O 21520 [2,0,0,0,0,0|1,0,0]=3 88 B6R0.2 C[C@@H](N)CC(=O)O 30087 [2,0,0,0,0,0|1,0,0]=3 89 B6R0.2 C[C@H](N)CC(=O)O 13856 [2,0,0,0,0,0|1,0,0]=3 90 B6R0.4 C#CCCC(=O)O 32190 [2,0,0,0,0,0|0,0,2]=4 91 B6R0.4 C=CCCC(=O)O 20009 [2,0,0,0,0,0|0,0,2]=4 92 B6R0.4 CC(=O)CCCCl 17207 [2,0,0,0,0,0|2,0,0]=4 93 B6R0.4 CCCCB(O)O 1765 [2,0,0,0,0,0|1,0,1]=4 94 B6R0.4 CCCCC(=O)Cl 21358 [2,0,0,0,0,0|1,0,0]=3 95 B6R0.4 CCCCC(=O)[O-] 27064 [2,0,0,0,0,0|0,0,1]=3 96 B6R0.4 CCCC[C@@H](C)O 6730 [2,0,0,0,0,0|1,0,1]=4 97 B6R0.4 CCCC[C@H](C)O 6732 [2,0,0,0,0,0|1,0,1]=4 98 B6R0.4 CCNCC(=O)O 23122 [2,0,0,0,0,0|1,0,0]=3 99 B6R0.4 O=C(Cl)CCCCl 32347 [2,0,0,0,0,0|2,0,0]=4 100 B6R0.4 O=C(O)CCCBr 3754 [2,0,0,0,0,0|1,0,0]=3 101 B6R0.4 O=C(O)CCCS 36247 [2,0,0,0,0,0|1,0,0]=3 102 B6R0.3 C=CC(N)C(=O)O 21785 [2,0,0,0,0,0|0,0,2]=4 103 B6R0.3 C=C[C@@H](N)C(=O)O 21787 [2,0,0,0,0,0|0,0,2]=4 104 B6R0.3 C=C[C@H](N)C(=O)O 21786 [2,0,0,0,0,0|0,0,2]=4 105 B6R0.3 C=C[C@H](N)C(=O)O 29432 [2,0,0,0,0,0|0,0,2]=4 106 B6R0.3 CC(C)[C@@H](N)CO 5789 [2,0,0,0,0,0|0,0,1]=3 107 B6R0.3 CC(C)[C@H](N)CO 5790 [2,0,0,0,0,0|0,0,1]=3 108 B6R0.3 CC(CN)C(=O)O 21922 [2,0,0,0,0,0|2,0,0]=4 109 B6R0.3 CC(CN)C(=O)O 30383 [2,0,0,0,0,0|2,0,0]=4 110 B6R0.3 CCC(=O)C(=O)O 24837 [2,0,0,0,0,0|1,0,1]=4 111 B6R0.3 CCC(Br)C(=O)O 14564 [2,0,0,0,0,0|1,0,0]=3 112 B6R0.3 CCC(C)B(O)O 29484 [2,0,0,0,0,0|2,0,0]=4 113 B6R0.3 CCC(N)C(=O)O 27168 [2,0,0,0,0,0|0,0,0]=2 114 B6R0.3 CC[C@@H](Br)C(=O)O 36160 [2,0,0,0,0,0|1,0,0]=3 115 B6R0.3 CC[C@@H](C)C(=O)O 32186 [2,0,0,0,0,0|1,0,0]=3 116 B6R0.3 CC[C@@H](N)C(=O)O 13431 [2,0,0,0,0,0|0,0,0]=2 117 B6R0.3 CC[C@@H](N)C(=O)O 15607 [2,0,0,0,0,0|0,0,0]=2 118 B6R0.3 CC[C@H](Br)C(=O)O 8279 [2,0,0,0,0,0|1,0,0]=3 119 B6R0.3 CC[C@H](C)C(=O)O 36048 [2,0,0,0,0,0|1,0,0]=3 120 B6R0.3 CC[C@H](C)C(=O)O 36048 [2,0,0,0,0,0|1,0,0]=3 121 B6R0.3 CC[C@H](N)B(O)O 33648 [2,0,0,0,0,0|1,0,1]=4 122 B6R0.3 CC[C@H](N)B(O)O 33649 [2,0,0,0,0,0|1,0,1]=4 123 B6R0.3 CC[C@H](N)C(=O)O 16473 [2,0,0,0,0,0|0,0,0]=2 124 B6R0.3 CC[C@H](N)C(=O)O 16477 [2,0,0,0,0,0|0,0,0]=2 125 B6R0.3 CC[C@H](N)C(N)=O 28166 [2,0,0,0,0,0|1,0,0]=3 126 B6R0.3 CC[C@H](N)C(N)=O 5725 [2,0,0,0,0,0|1,0,0]=3 127 B6R0.3 CC[C@H](O)C(=O)O 8265 [2,0,0,0,0,0|1,0,0]=3 128 B6R0.3 CN[C@@H](C)C(=O)O 24906 [2,0,0,0,0,0|2,0,0]=4 129 B6R0.3 C[C@H](CO)C(=O)O 14230 [2,0,0,0,0,0|2,0,0]=4 130 B6R0.3 NC(=O)[C@@H](N)CO 26034 [2,0,0,0,0,0|2,0,0]=4 131 B6R0.3 NC(CO)C(=O)O 11003 [2,0,0,0,0,0|1,0,0]=3 132 B6R0.3 NC(CS)C(=O)O 12372 [2,0,0,0,0,0|1,0,0]=3 133 B6R0.3 NCC(N)C(=O)O 13822 [2,0,0,0,0,0|1,0,0]=3 134 B6R0.3 NCC(O)C(=O)O 23947 [2,0,0,0,0,0|2,0,0]=4 135 B6R0.3 NC[C@@H](N)C(=O)O 13823 [2,0,0,0,0,0|1,0,0]=3 136 B6R0.3 NC[C@H](N)C(=O)O 13356 [2,0,0,0,0,0|1,0,0]=3 137 B6R0.3 NC[C@H](N)C(=O)O 13818 [2,0,0,0,0,0|1,0,0]=3 138 B6R0.3 NC[C@H](O)C(=O)O 26012 [2,0,0,0,0,0|2,0,0]=4 139 B6R0.3 N[C@@H](CO)C(=O)O 10994 [2,0,0,0,0,0|1,0,0]=3 140 B6R0.3 N[C@@H](CS)C(=O)O 19006 [2,0,0,0,0,0|1,0,0]=3 141 B6R0.3 N[C@@H](CS)C(=O)O 19010 [2,0,0,0,0,0|1,0,0]=3 142 B6R0.3 N[C@@H](CS)C(=O)O 23844 [2,0,0,0,0,0|1,0,0]=3 143 B6R0.3 N[C@H](CO)C(=O)O 10704 [2,0,0,0,0,0|1,0,0]=3 144 B6R0.3 N[C@H](CS)C(=O)O 12314 [2,0,0,0,0,0|1,0,0]=3 145 B6R0.3 N[C@H](CS)C(=O)O 16838 [2,0,0,0,0,0|1,0,0]=3 146 B6R0.3 N[C@H](CS)C(=O)O 23177 [2,0,0,0,0,0|1,0,0]=3 147 B6R0.3 N[C@H](CS)C(=O)O 29024 [2,0,0,0,0,0|1,0,0]=3 148 B8R0.5 C#CC[C@@H](N)CC(=O)O 30075 [1,1,0,0,0,0|1,0,1]=4 149 B8R0.5 C#CC[C@H](N)CC(=O)O 30067 [1,1,0,0,0,0|1,0,1]=4 150 B8R0.5 C=CC[C@@H](N)CC(=O)O 30072 [1,1,0,0,0,0|1,0,1]=4 151 B8R0.5 C=CC[C@H](N)CC(=O)O 30120 [1,1,0,0,0,0|1,0,1]=4 152 B8R0.5 COCC(C)OC(C)=O 4049 [1,1,0,0,0,0|2,0,0]=4 153 B8R0.16 COC(CC(C)=O)OC 13759 [1,1,0,0,0,0|2,0,0]=4 154 B8R0.19 CCC(=O)CC(=O)OC 18684 [1,1,0,0,0,0|1,0,1]=4 155 B8R0.19 CC[C@@H](N)CC(=O)OC 23281 [1,1,0,0,0,0|1,0,0]=3 156 B8R0.19 CC[C@H](O)CC(=O)OC 21119 [1,1,0,0,0,0|1,0,0]=3 157 B8R0.19 COC(=O)CC(O)CCl 21114 [1,1,0,0,0,0|2,0,0]=4 158 B8R0.19 COC(=O)C[C@H](O)CBr 15563 [1,1,0,0,0,0|2,0,0]=4 159 B8R0.23 CC(C)[C@@H](N)CC(=O)O 30142 [1,1,0,0,0,0|1,0,0]=3 160 B8R0.23 CC(C)[C@@H](N)CC(=O)O 30151 [1,1,0,0,0,0|1,0,0]=3 161 B8R0.23 CC(C)[C@H](N)CC(=O)O 23284 [1,1,0,0,0,0|1,0,0]=3 162 B8R0.23 CC(C)[C@H](N)CC(=O)O 30172 [1,1,0,0,0,0|1,0,0]=3 163 B8R0.23 C[C@@H](O)[C@@H](N)CC(=O)O 24543 [1,1,0,0,0,0|1,0,0]=3 164 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O 24541 [1,1,0,0,0,0|1,0,0]=3 165 B8R0.23 C[C@H](O)[C@@H](N)CC(=O)O 24542 [1,1,0,0,0,0|1,0,0]=3 166 B8R0.23 C[C@H](O)[C@H](N)CC(=O)O 24540 [1,1,0,0,0,0|1,0,0]=3 167 B8R0.3 C=CC[C@@H](N)C(=O)OC 30168 [1,1,0,0,0,0|0,0,2]=4 168 B8R0.3 CCC[C@H](N)C(=O)OC 10951 [1,1,0,0,0,0|0,0,0]=2 169 B8R0.8 CCCCC(N)B(O)O 33619 [1,1,0,0,0,0|1,0,1]=4 170 B8R0.8 CCCC[C@@H](N)C(=O)O 27353 [1,1,0,0,0,0|0,0,0]=2 171 B8R0.8 CCCC[C@H](N)C(=O)O 21410 [1,1,0,0,0,0|0,0,0]=2 172 B8R0.8 CSCCC(N)C(=O)O 20205 [1,1,0,0,0,0|0,0,0]=2 173 B8R0.8 CSCC[C@H](N)C(=O)O 14349 [1,1,0,0,0,0|0,0,0]=2 174 B8R0.8 CSCC[C@H](N)C(=O)O 18503 [1,1,0,0,0,0|0,0,0]=2 175 B8R0.8 C[Se]CC[C@H](N)C(=O)O 13834 [1,1,0,0,0,0|0,0,0]=2 176 B8R0.8 NCCCC(N)C(=O)O 36401 [1,1,0,0,0,0|0,0,0]=2 177 B8R0.8 NCCC[C@@H](N)C(=O)O 12441 [1,1,0,0,0,0|0,0,0]=2 178 B8R0.8 NCCC[C@H](N)C(=O)O 13024 [1,1,0,0,0,0|0,0,0]=2 179 B8R0.8 NCCC[C@H](N)C(=O)O 21979 [1,1,0,0,0,0|0,0,0]=2 180 B8R0.12 C=CC[C@@](C)(N)C(=O)O 30177 [1,1,0,0,0,0|0,0,2]=4 181 B8R0.12 C=CC[C@](C)(N)C(=O)O 30178 [1,1,0,0,0,0|0,0,2]=4 182 B8R0.12 CC(C)(CCN)C(=O)O 33781 [1,1,0,0,0,0|2,0,0]=4 183 B8R0.27 CC(C)(C)C(=O)C(=O)O 14270 [1,1,0,0,0,0|1,0,1]=4 184 B8R0.27 CC(C)(C)[C@@H](N)C(=O)O 15620 [1,1,0,0,0,0|0,0,0]=2 185 B8R0.27 CC(C)(C)[C@H](Br)C(=O)O 26243 [1,1,0,0,0,0|1,0,0]=3 186 B8R0.27 CC(C)(C)[C@H](N)C(=O)O 16885 [1,1,0,0,0,0|0,0,0]=2 187 B8R0.27 CC(C)(O)[C@H](N)C(=O)O 25580 [1,1,0,0,0,0|0,0,0]=2 188 B8R0.27 CC(C)(S)C(N)C(=O)O 36041 [1,1,0,0,0,0|0,0,0]=2 189 B8R0.27 CC(C)(S)[C@H](N)C(=O)O 35218 [1,1,0,0,0,0|0,0,0]=2 190 B8R0.37 CC(C)C(C)(N)C(N)=O 22146 [1,1,0,0,0,0|1,0,0]=3 191 B8R0.37 CC(C)[C@@](C)(N)C(=O)O 30171 [1,1,0,0,0,0|0,0,0]=2 192 B8R0.37 CC(C)[C@](C)(N)C(=O)O 30148 [1,1,0,0,0,0|0,0,0]=2 193 B10R0.81 CCCCC(N)C(O)C(=O)O 24556 [0,2,0,0,0,0|2,0,0]=4 194 B10R0.81 CCCC[C@@H](N)[C@@H](O)C(=O)O 24511 [0,2,0,0,0,0|2,0,0]=4 195 B10R0.81 CCCC[C@@H](N)[C@H](O)C(=O)O 24509 [0,2,0,0,0,0|2,0,0]=4 196 B10R0.81 CCCC[C@H](N)[C@@H](O)C(=O)O 24565 [0,2,0,0,0,0|2,0,0]=4 197 B8R1.1 O=C1C[C@H](CF)CO1 29192 [1,0,0,1,0,0|1,0,0]=3 198 B8R1.1 O=C1N[C@@H](CI)CO1 19948 [1,0,0,1,0,0|2,0,0]=4 199 B8R1.1 O=C1N[C@H](CO)CO1 26420 [1,0,0,1,0,0|2,0,0]=4 200 B8R1.1 O=C1OCC(CO)O1 36276 [1,0,0,1,0,0|2,0,0]=4 201 B8R1.4 CN1CCNC(=O)C1 23318 [1,0,0,1,0,0|2,0,0]=4 202 B8R1.4 NC1CCNC(=O)C1 22226 [1,0,0,1,0,0|2,0,0]=4 203 B8R1.5 CC1CCCCC1=O 15725 [1,0,0,1,0,0|2,0,0]=4 204 B8R1.5 NC1CCCCC1O 35400 [1,0,0,1,0,0|1,0,1]=4 205 B8R1.5 NN1CCCCC1=O 18113 [1,0,0,1,0,0|2,0,0]=4 206 B8R1.5 N[C@@H]1CCCC[C@@H]1O 15185 [1,0,0,1,0,0|1,0,1]=4 207 B8R1.5 N[C@@H]1CCCC[C@H]1O 15120 [1,0,0,1,0,0|1,0,1]=4 208 B8R1.5 N[C@@H]1CCCC[C@H]1O 15180 [1,0,0,1,0,0|1,0,1]=4 209 B8R1.5 N[C@@H]1CCCC[C@H]1O 19553 [1,0,0,1,0,0|1,0,1]=4 210 B8R1.5 N[C@H]1CCCC[C@@H]1O 15181 [1,0,0,1,0,0|1,0,1]=4 211 B8R1.5 N[C@H]1CCCC[C@@H]1O 17368 [1,0,0,1,0,0|1,0,1]=4 212 B8R1.5 N[C@H]1CCCC[C@H]1O 14514 [1,0,0,1,0,0|1,0,1]=4 213 B8R1.5 N[C@H]1CCCC[C@H]1O 15183 [1,0,0,1,0,0|1,0,1]=4 214 B8R1.5 N[C@H]1CCCC[C@H]1O 19551 [1,0,0,1,0,0|1,0,1]=4 215 B8R1.5 N[C@H]1CCCNC1=O 17890 [1,0,0,1,0,0|1,0,0]=3 216 B8R1.5 O=C1CCCCC1Br 17636 [1,0,0,1,0,0|2,0,0]=4 217 B8R1.7 CC(=O)C1CCCC1 16480 [1,0,0,1,0,0|2,0,0]=4 218 B8R1.7 NC(=O)[C@@H]1CCCN1 13020 [1,0,0,1,0,0|1,0,0]=3 219 B8R1.7 NC(=O)[C@@H]1CCCN1 5667 [1,0,0,1,0,0|1,0,0]=3 220 B8R1.7 NC(=O)[C@H]1CCCN1 10997 [1,0,0,1,0,0|1,0,0]=3 221 B8R1.7 O=C(Cl)C1CCCC1 13237 [1,0,0,1,0,0|2,0,0]=4 222 B8R1.7 O=C(O)C1CCCC1 14153 [1,0,0,1,0,0|1,0,0]=3 223 B8R1.7 O=C(O)C1CCCN1 20613 [1,0,0,1,0,0|0,0,0]=2 224 B8R1.7 O=C(O)C1CCCO1 7088 [1,0,0,1,0,0|1,0,0]=3 225 B8R1.7 O=C(O)C1CCNC1 10439 [1,0,0,1,0,0|2,0,0]=4 226 B8R1.7 O=C(O)C1CCNC1 16223 [1,0,0,1,0,0|2,0,0]=4 227 B8R1.7 O=C(O)C1CCOC1 22077 [1,0,0,1,0,0|2,0,0]=4 228 B8R1.7 O=C(O)[C@@H]1C=CCN1 13924 [1,0,0,1,0,0|0,0,2]=4 229 B8R1.7 O=C(O)[C@@H]1CCCO1 5795 [1,0,0,1,0,0|1,0,0]=3 230 B8R1.7 O=C(O)[C@@H]1CCNC1 11127 [1,0,0,1,0,0|2,0,0]=4 231 B8R1.7 O=C(O)[C@@H]1CCNC1 15979 [1,0,0,1,0,0|2,0,0]=4 232 B8R1.7 O=C(O)[C@@H]1COCN1 16415 [1,0,0,1,0,0|1,0,0]=3 233 B8R1.7 O=C(O)[C@@H]1CSCN1 8297 [1,0,0,1,0,0|1,0,0]=3 234 B8R1.7 O=C(O)[C@H]1CCCN1 10979 [1,0,0,1,0,0|0,0,0]=2 235 B8R1.7 O=C(O)[C@H]1CCCO1 5796 [1,0,0,1,0,0|1,0,0]=3 236 B8R1.7 O=C(O)[C@H]1CCNC1 11126 [1,0,0,1,0,0|2,0,0]=4 237 B8R1.7 O=C(O)[C@H]1CCNC1 15978 [1,0,0,1,0,0|2,0,0]=4 238 B8R1.23 CC1CC(C(=O)O)C1 27314 [1,0,0,1,0,0|1,0,0]=3 239 B8R1.23 CN1CC(C(=O)O)C1 36075 [1,0,0,1,0,0|2,0,0]=4 240 B8R1.23 NC1CC(C(=O)O)C1 29386 [1,0,0,1,0,0|2,0,0]=4 241 B8R1.54 N[C@H](C(=O)O)C1CC1 17438 [1,0,0,1,0,0|0,0,0]=2 242 B8R1.78 CC1(C(=O)O)COC1 14214 [1,0,0,1,0,0|2,0,0]=4 243 B8R1.78 NC1(C(=O)O)CCC1 13879 [1,0,0,1,0,0|0,0,0]=2 244 B8R1.78 NC1(C(=O)O)CCC1 19788 [1,0,0,1,0,0|0,0,0]=2 245 B8R1.78 O=C(O)C1(Br)CCC1 35338 [1,0,0,1,0,0|1,0,0]=3 246 B8R1.77 CC1(C)C[C@@H]1C(N)=O 6301 [1,0,0,1,0,0|2,0,0]=4 247 B10R1.64 O=C(O)CC1NCCC1O 24458 [0,0,0,1,0,1|1,0,0]=3 248 B10R1.64 O=C(O)C[C@@H]1NCC[C@@H]1O 24457 [0,0,0,1,0,1|1,0,0]=3 249 B10R1.64 O=C(O)C[C@@H]1NCC[C@H]1O 24455 [0,0,0,1,0,1|1,0,0]=3 250 B10R1.64 O=C(O)C[C@H]1NCC[C@@H]1O 24453 [0,0,0,1,0,1|1,0,0]=3 251 B10R1.64 O=C(O)C[C@H]1NCC[C@H]1O 24456 [0,0,0,1,0,1|1,0,0]=3 252 B10R1.113 CN1CCCC(C(=O)O)C1 8008 [0,0,0,1,0,1|2,0,0]=4 253 B10R1.113 C[C@@H]1CCN[C@@H](C(=O)O)C1 35803 [0,0,0,1,0,1|0,0,0]=2 254 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 21565 [0,0,0,1,0,1|2,0,0]=4 255 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 21587 [0,0,0,1,0,1|2,0,0]=4 256 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 21566 [0,0,0,1,0,1|2,0,0]=4 257 B10R1.113 O=C(O)[C@@H]1C[C@@H](O)CCN1 20831 [0,0,0,1,0,1|1,0,0]=3 258 B10R1.113 O=C(O)[C@H]1C[C@@H](O)CCN1 16279 [0,0,0,1,0,1|1,0,0]=3 259 B10R1.34 O=C1O[C@H](CO)[C@@H](O)[C@H]1O 10775 [0,1,0,1,0,0|2,0,0]=4 260 B10R1.61 CN1CCCCC1C(=O)O 8006 [0,1,0,1,0,0|2,0,0]=4 261 B10R1.119 O=C1OC[C@@H](O)[C@@H](O)[C@H]1O 20487 [0,1,0,1,0,0|2,0,0]=4 262 B10R1.149 COC(=O)C1CCCC1O 17158 [0,1,0,1,0,0|2,0,0]=4 263 B10R1.159 C=C[C@@H]1C[C@]1(N)C(=O)OC 28191 [0,1,0,1,0,0|0,0,2]=4