0 B8R0.9 COC(=O)CNC(C)=O P42621 [0,0,0,0,0,0|1,0,0]=1 1 B8R0.9 NCC(=O)CCC(=O)O P37517 [0,0,0,0,0,0|3,0,0]=3 2 B7R0.3 CC\C=C\C(=O)OC Q70108 [1,0,0,0,0,0|0,0,3]=4 3 B7R0.3 CNC(=O)CCCN P40550 [1,0,0,0,0,0|2,0,1]=4 4 B7R0.3 CNCCC(=O)NC P37767 [1,0,0,0,0,0|2,0,0]=3 5 B7R0.3 CNCCC(=O)OC P36826 [1,0,0,0,0,0|1,0,0]=2 6 B7R0.3 COC(=O)CN=[N+]=[N-] P40367 [1,0,0,0,0,0|3,0,0]=4 7 B7R0.4 CNCCNC(C)=O P41559 [1,0,0,0,0,0|2,0,1]=4 8 B7R0.4 COCCCC(=O)O P39031 [1,0,0,0,0,0|1,0,1]=3 9 B7R0.6 CC(=O)OCC(C)O P36972 [1,0,0,0,0,0|1,0,2]=4 10 B7R0.6 CC(C)=CCC(=O)O P43260 [1,0,0,0,0,0|1,0,1]=3 11 B7R0.6 CC(C)OCC(=O)O P38749 [1,0,0,0,0,0|2,0,1]=4 12 B7R0.6 O=C(O)CCC(F)F S72753 [1,0,0,0,0,0|2,0,1]=4 13 B9R0.7 C[C@@H](N)C(=O)NCC(=O)O P38303 [0,1,0,0,0,0|3,0,0]=4 14 B9R0.21 COC(=O)CCC(F)(F)F P39478 [0,1,0,0,0,0|2,0,1]=4 15 B9R0.21 COC(=O)CC[B-](F)(F)F P50966 [0,1,0,0,0,0|3,0,0]=4 16 B9R0.23 COC(=O)[C@@H](C)CC(=O)O Q69085 [0,1,0,0,0,0|1,0,0]=2 17 B9R0.23 COC(=O)[C@@H](O)CC(=O)O H-8313 [0,1,0,0,0,0|1,0,0]=2 18 B9R0.23 COC(=O)[C@H](N)CC(C)C P37232 [0,1,0,0,0,0|1,0,1]=3 19 B9R0.23 COC(=O)[C@H](O)CC(=O)O H-8314 [0,1,0,0,0,0|1,0,0]=2 20 B9R0.23 COC(=O)[C@H](O)CC(C)C P42599 [0,1,0,0,0,0|1,0,1]=3 21 B9R0.42 COC(=O)C[C@@H](C)C(=O)O Q69087 [0,1,0,0,0,0|1,0,0]=2 22 B9R0.42 COC(=O)C[C@H](C)C(=O)O Q69083 [0,1,0,0,0,0|1,0,0]=2 23 B9R0.42 COC(=O)C[C@H](N)C(C)C Q68995 [0,1,0,0,0,0|1,0,1]=3 24 B9R0.48 NCCC(=O)NCC(=O)O P35725 [0,1,0,0,0,0|3,0,0]=4 25 B9R1.1 CNC1CCC(=O)CC1 P41929 [0,0,0,1,0,0|2,0,1]=4 26 B9R1.1 COC1CCC(=O)CC1 P34719 [0,0,0,1,0,0|1,0,1]=3 27 B9R1.10 CC1(C)CCC(=O)NC1 Q63050 [0,0,0,1,0,0|2,0,1]=4 28 B9R1.10 CC1(N)CCC(=O)CC1 P48980 [0,0,0,1,0,0|2,0,1]=4 29 B9R1.10 CC1(O)CCC(=O)CC1 D-2566 [0,0,0,1,0,0|1,0,2]=4 30 B9R1.10 O=C1CCS(=O)(=O)CC1 P40534 [0,0,0,1,0,0|3,0,0]=4 31 B9R1.35 O=C1CC(C(=O)O)CN1 L13527 [0,0,0,1,0,0|2,0,0]=3 32 B9R1.35 O=C1CCC(C(=O)O)C1 G-6041 [0,0,0,1,0,0|2,0,0]=3 33 B9R1.35 O=C1CCC(C(=O)O)S1 I-9617 [0,0,0,1,0,0|3,0,0]=4 34 B9R1.35 O=C1CC[C@@H](C(=O)O)C1 L13054 [0,0,0,1,0,0|2,0,0]=3 35 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 G-7802 [0,0,0,1,0,0|3,0,0]=4 36 B9R1.35 O=C1CC[C@H](C(=O)O)C1 L13053 [0,0,0,1,0,0|2,0,0]=3 37 B9R1.35 O=C1CNC(C(=O)O)C1 L14145 [0,0,0,1,0,0|3,0,0]=4 38 B9R1.35 O=C1C[C@H](C(=O)O)CN1 L14979 [0,0,0,1,0,0|2,0,0]=3 39 B9R1.35 O=C1NC[C@@H](C(=O)O)N1 L19415 [0,0,0,1,0,0|3,0,0]=4 40 B9R1.49 CN1CCNC(=O)CC1 O34314 [0,0,0,1,0,0|3,0,0]=4 41 B9R1.69 CC1CC(=O)CCC1O P44912 [0,0,0,1,0,0|1,0,2]=4 42 B9R1.69 CC1CCC(=O)C(C)C1 Q59598 [0,0,0,1,0,0|2,0,1]=4 43 B9R1.69 CC1CN(C)CCC1=O Q65019 [0,0,0,1,0,0|3,0,0]=4 44 B9R1.69 CN1CC(N)CCC1=O C-3402 [0,0,0,1,0,0|2,0,1]=4 45 B9R1.69 CN1C[C@@H](N)CCC1=O Q64391 [0,0,0,1,0,0|2,0,1]=4 46 B9R1.69 CN1C[C@H](N)CCC1=O Q64392 [0,0,0,1,0,0|2,0,1]=4 47 B9R1.69 C[C@@H]1CC(=O)CC[C@H]1O P49131 [0,0,0,1,0,0|1,0,2]=4 48 B9R1.69 C[C@@H]1CCC(=O)CN1C Q56726 [0,0,0,1,0,0|2,0,1]=4 49 B9R1.69 C[C@@H]1CN(C)CCC1=O Q65018 [0,0,0,1,0,0|3,0,0]=4 50 B9R1.69 C[C@H]1CCC(=O)CN1C Q56727 [0,0,0,1,0,0|2,0,1]=4 51 B9R1.69 C[C@H]1CN(C)CCC1=O Q65017 [0,0,0,1,0,0|3,0,0]=4 52 B9R1.80 COC(=O)CNC1CC1 L20586 [0,0,0,1,0,0|2,0,1]=4 53 B9R1.80 COC(=O)CNC1CC1 P36966 [0,0,0,1,0,0|2,0,1]=4 54 B9R1.82 C=C1CC(C(=O)OC)C1 I-9440 [0,0,0,1,0,0|1,0,0]=2 55 B9R1.82 CNC(=O)C1CC(O)C1 P49829 [0,0,0,1,0,0|1,0,2]=4 56 B9R1.82 COC(=O)C1CC(=O)C1 C-2246 [0,0,0,1,0,0|0,0,0]=1 57 B9R1.82 COC(=O)C1CC(Br)C1 H-8052 [0,0,0,1,0,0|1,0,1]=3 58 B9R1.82 COC(=O)C1CC(Cl)C1 G-6592 [0,0,0,1,0,0|1,0,1]=3 59 B9R1.82 COC(=O)C1CC(F)C1 P47896 [0,0,0,1,0,0|1,0,1]=3 60 B9R1.82 COC(=O)C1CC(N)C1 P49386 [0,0,0,1,0,0|1,0,1]=3 61 B9R1.82 COC(=O)C1CC(N)C1 Q52519 [0,0,0,1,0,0|1,0,1]=3 62 B9R1.82 COC(=O)C1CC(O)C1 A-434 [0,0,0,1,0,0|0,0,2]=3 63 B9R1.82 COC(=O)C1CC(O)C1 F-4098 [0,0,0,1,0,0|0,0,2]=3 64 B9R1.82 COC(=O)C1CC(O)C1 F-4099 [0,0,0,1,0,0|0,0,2]=3 65 B9R1.82 COC(=O)N1CC(N)C1 P45916 [0,0,0,1,0,0|2,0,1]=4 66 B9R1.82 COC(=O)N1CC(N)C1 P47078 [0,0,0,1,0,0|2,0,1]=4 67 B9R1.82 COC(=O)N1CC(O)C1 L21408 [0,0,0,1,0,0|1,0,2]=4 68 B9R1.82 COC(=O)[C@H]1C[C@@H](Br)C1 P47452 [0,0,0,1,0,0|1,0,1]=3 69 B9R1.82 COC(=O)[C@H]1C[C@@H](F)C1 P50695 [0,0,0,1,0,0|1,0,1]=3 70 B9R1.82 COC(=O)[C@H]1C[C@@H](N)C1 G-5199 [0,0,0,1,0,0|1,0,1]=3 71 B9R1.82 COC(=O)[C@H]1C[C@H](Br)C1 G-7774 [0,0,0,1,0,0|1,0,1]=3 72 B9R1.82 COC(=O)[C@H]1C[C@H](F)C1 P44032 [0,0,0,1,0,0|1,0,1]=3 73 B9R1.82 COC(=O)[C@H]1C[C@H](N)C1 G-5470 [0,0,0,1,0,0|1,0,1]=3 74 B9R1.82 COC(=O)[C@H]1C[C@H](N)C1 P44094 [0,0,0,1,0,0|1,0,1]=3 75 B9R1.84 O=C(O)CCC1CCO1 Q58424 [0,0,0,1,0,0|2,0,1]=4 76 B9R1.84 O=C([O-])CCC1CCO1 Q57244 [0,0,0,1,0,0|2,0,1]=4 77 B9R1.95 COC1CC(C(=O)O)C1 F-4385 [0,0,0,1,0,0|2,0,1]=4 78 B9R1.95 CO[C@H]1C[C@@H](C(=O)O)C1 G-7356 [0,0,0,1,0,0|2,0,1]=4 79 B9R1.95 CO[C@H]1C[C@H](C(=O)O)C1 G-7357 [0,0,0,1,0,0|2,0,1]=4 80 B7R0.2 CCC(=O)CC(=O)O P43007 [0,0,0,0,1,0|2,0,0]=3 81 B7R0.2 CCC(=O)CC(C)=O O31794 [0,0,0,0,1,0|1,0,0]=2 82 B7R0.2 CNC(=O)CC(=O)O P38150 [0,0,0,0,1,0|2,0,0]=3 83 B7R0.2 COC(=O)CC(C)N P41489 [0,0,0,0,1,0|1,0,1]=3 84 B7R0.2 COC(=O)CN(C)C P36457 [0,0,0,0,1,0|2,0,0]=3 85 B7R0.2 COC(=O)C[C@@H](C)N Q68958 [0,0,0,0,1,0|1,0,1]=3 86 B7R0.2 COC(=O)C[N+](=O)[O-] P45896 [0,0,0,0,1,0|2,0,0]=3 87 B6R0.1 CCNC(=O)NC M15284 [2,0,0,0,0,0|2,0,0]=4 88 B6R0.1 CNC(=O)CCCl P38167 [2,0,0,0,0,0|2,0,0]=4 89 B6R0.1 CNC(=O)CCN P37692 [2,0,0,0,0,0|2,0,0]=4 90 B6R0.1 CNCC(=O)NC P37691 [2,0,0,0,0,0|2,0,0]=4 91 B6R0.1 CNCC(=O)NC P38046 [2,0,0,0,0,0|2,0,0]=4 92 B6R0.4 CCNCC(=O)O P37534 [2,0,0,0,0,0|1,0,1]=4 93 B6R0.4 CNCCC(=O)O P36779 [2,0,0,0,0,0|1,0,0]=3 94 B6R0.4 CNCCC(=O)O P39205 [2,0,0,0,0,0|1,0,0]=3 95 B6R0.4 CNCCC(N)=O P37896 [2,0,0,0,0,0|2,0,0]=4 96 B6R0.4 O=CNCC(=O)O P39379 [2,0,0,0,0,0|1,0,0]=3 97 B6R0.6 CNCCCOC P37437 [2,0,0,0,0,0|1,0,1]=4 98 B8R0.3 C#CC[C@@H](N)C(=O)OC Q65834 [1,1,0,0,0,0|0,0,2]=4 99 B8R0.3 C#CC[C@H](N)C(=O)OC P40730 [1,1,0,0,0,0|0,0,2]=4 100 B8R0.3 CCCC(N)C(=O)OC P43113 [1,1,0,0,0,0|0,0,1]=3 101 B8R0.6 CNCCCC(=O)OC H-8710 [1,1,0,0,0,0|0,0,1]=3 102 B8R0.6 COC(=O)CCCCN P38983 [1,1,0,0,0,0|0,0,1]=3 103 B8R0.8 CNCCC(=O)N(C)C P40566 [1,1,0,0,0,0|2,0,0]=4 104 B8R0.5 COCC(O)CC(=O)O F-4460 [1,1,0,0,0,0|1,0,1]=4 105 B8R0.7 CNCCCNC(C)=O P37409 [1,1,0,0,0,0|1,0,1]=4 106 B8R0.23 C=C(C)CC(N)C(=O)O P39089 [1,1,0,0,0,0|1,0,0]=3 107 B8R0.23 C=C(C)C[C@@H](N)C(=O)O O28738 [1,1,0,0,0,0|1,0,0]=3 108 B8R0.23 C=C(C)C[C@H](N)C(=O)O O28733 [1,1,0,0,0,0|1,0,0]=3 109 B8R0.23 CC(=O)N(C)CC(=O)O P37214 [1,1,0,0,0,0|1,0,0]=3 110 B8R0.23 CC(=O)O[C@H](C)C(=O)Cl H-8722 [1,1,0,0,0,0|2,0,0]=4 111 B8R0.23 CC(C)C(N)CC(=O)O M22680 [1,1,0,0,0,0|1,0,1]=4 112 B8R0.23 CC(C)C[C@@H](O)C(=O)O P39959 [1,1,0,0,0,0|1,0,1]=4 113 B8R0.23 CC(C)[C@@H](N)CC(=O)O P38250 [1,1,0,0,0,0|1,0,1]=4 114 B8R0.23 CC(C)[C@@H](N)CC(=O)O Q68993 [1,1,0,0,0,0|1,0,1]=4 115 B8R0.23 CC(C)[C@H](N)CC(=O)O P36212 [1,1,0,0,0,0|1,0,1]=4 116 B8R0.23 CC(C)[C@H](N)CC(=O)O Q68999 [1,1,0,0,0,0|1,0,1]=4 117 B8R0.23 CN(C)C[C@H](N)C(=O)O P43074 [1,1,0,0,0,0|2,0,0]=4 118 B8R0.23 C[C@@H](CC(=O)O)C(=O)O P39685 [1,1,0,0,0,0|1,0,0]=3 119 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O Q68990 [1,1,0,0,0,0|0,0,2]=4 120 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O Q68992 [1,1,0,0,0,0|0,0,2]=4 121 B8R0.29 CS(=O)(=O)NCC(=O)O P38570 [1,1,0,0,0,0|2,0,0]=4 122 B10R0.3 CCNC(=O)NCCC(=O)O 10089 [0,1,0,0,0,1|2,0,0]=4 123 B10R0.3 CCOC(=O)CCCC(C)=O K13405 [0,1,0,0,0,1|0,0,0]=2 124 B10R0.44 COC(=O)C[C@@H](N)CC(C)C Q68971 [0,1,0,0,0,1|1,0,1]=4 125 B10R0.56 COC(=O)N(C)[C@@H](C)C(=O)O L18275 [0,2,0,0,0,0|2,0,0]=4 126 B10R0.56 COC(=O)N(C)[C@H](C)C(=O)O P49839 [0,2,0,0,0,0|2,0,0]=4 127 B10R0.108 CCOC(=O)CCC(=O)CBr O30317 [0,2,0,0,0,0|0,0,0]=2 128 B8R1.1 C=CC1CCC(=O)C1 Q57034 [1,0,0,1,0,0|1,0,1]=4 129 B8R1.1 C=CC1COC(=O)C1 F-4407 [1,0,0,1,0,0|0,0,1]=3 130 B8R1.1 CNC1CNC(=O)C1 L19088 [1,0,0,1,0,0|2,0,0]=4 131 B8R1.1 CN[C@H]1CNC(=O)C1 Q61671 [1,0,0,1,0,0|2,0,0]=4 132 B8R1.1 O=C1CC(CO)CO1 H-8701 [1,0,0,1,0,0|0,0,2]=4 133 B8R1.2 COC1=CCOCC1 G-7495 [1,0,0,1,0,0|2,0,0]=4 134 B8R1.3 C=C1CCC(=O)CC1 P44029 [1,0,0,1,0,0|1,0,1]=4 135 B8R1.3 CC1CCC(=O)NC1 L13409 [1,0,0,1,0,0|1,0,1]=4 136 B8R1.3 O=C1CCC(=O)NC1 Q52611 [1,0,0,1,0,0|1,0,0]=3 137 B8R1.3 O=C1CCC(=O)OC1 K12424 [1,0,0,1,0,0|0,0,0]=2 138 B8R1.5 CC1CNCCC1=O O34502 [1,0,0,1,0,0|2,0,0]=4 139 B8R1.5 CC1COCCC1=O F-4697 [1,0,0,1,0,0|2,0,0]=4 140 B8R1.10 O=CCCC1CCO1 Q57245 [1,0,0,1,0,0|1,0,1]=4 141 B8R1.22 O=C1CCCNCC1 A-576 [1,0,0,1,0,0|2,0,0]=4 142 B8R1.22 O=C1CCNCCN1 Q52595 [1,0,0,1,0,0|2,0,0]=4 143 B8R1.38 CCC(=O)C1CCC1 P45339 [1,0,0,1,0,0|1,0,1]=4 144 B8R1.38 CCC(=O)C1COC1 Q56142 [1,0,0,1,0,0|2,0,0]=4 145 B8R1.38 CNC(=O)C1CCC1 P49094 [1,0,0,1,0,0|1,0,1]=4 146 B8R1.38 CNC(=O)C1CNC1 P45048 [1,0,0,1,0,0|2,0,0]=4 147 B8R1.38 CNC(=O)C1CNC1 P45049 [1,0,0,1,0,0|2,0,0]=4 148 B8R1.38 COC(=O)C1C=CC1 P47818 [1,0,0,1,0,0|0,0,1]=3 149 B8R1.38 COC(=O)C1CCC1 P45206 [1,0,0,1,0,0|0,0,1]=3 150 B8R1.38 COC(=O)C1CCN1 F-4237 [1,0,0,1,0,0|1,0,1]=4 151 B8R1.38 COC(=O)C1CNC1 A-420 [1,0,0,1,0,0|1,0,0]=3 152 B8R1.38 COC(=O)C1CNC1 F-4426 [1,0,0,1,0,0|1,0,0]=3 153 B8R1.38 COC(=O)C1COC1 L13768 [1,0,0,1,0,0|1,0,0]=3 154 B8R1.38 COC(=O)[C@@H]1CCN1 G-7134 [1,0,0,1,0,0|1,0,1]=4 155 B8R1.38 COC(=O)[C@H]1CCN1 G-7965 [1,0,0,1,0,0|1,0,1]=4 156 B8R1.40 COC(=O)CC1CC1 G-7131 [1,0,0,1,0,0|0,0,1]=3 157 B8R1.50 CC1C(=O)CCN1C Q52697 [1,0,0,1,0,0|2,0,0]=4 158 B8R1.4 CC1=CCCC(=O)C1 O32064 [1,0,0,1,0,0|1,0,0]=3 159 B8R1.4 CC1CC(=O)CCN1 D-2514 [1,0,0,1,0,0|2,0,0]=4 160 B8R1.4 CC1CC(=O)CCO1 A-836 [1,0,0,1,0,0|2,0,0]=4 161 B8R1.4 C[C@@H]1CC(=O)CCN1 G-7641 [1,0,0,1,0,0|2,0,0]=4 162 B8R1.4 C[C@@H]1CC(=O)CCO1 H-8404 [1,0,0,1,0,0|2,0,0]=4 163 B8R1.4 C[C@H]1CC(=O)CCN1 G-6964 [1,0,0,1,0,0|2,0,0]=4 164 B8R1.4 C[C@H]1CC(=O)CCN1 G-7640 [1,0,0,1,0,0|2,0,0]=4 165 B8R1.4 C[C@H]1CC(=O)CCN1 Q61425 [1,0,0,1,0,0|2,0,0]=4 166 B8R1.4 C[C@H]1CC(=O)CCO1 A-837 [1,0,0,1,0,0|2,0,0]=4 167 B8R1.6 CCCC1CC(=O)C1 P45457 [1,0,0,1,0,0|1,0,1]=4 168 B8R1.6 CCOC1CC(=O)C1 P45782 [1,0,0,1,0,0|2,0,0]=4 169 B8R1.6 COCC1CC(=O)C1 P42770 [1,0,0,1,0,0|0,0,1]=3 170 B8R1.7 CC(=O)C1CCNC1 O31491 [1,0,0,1,0,0|1,0,1]=4 171 B8R1.7 NC(=O)C1CCOC1 G-6625 [1,0,0,1,0,0|1,0,1]=4 172 B8R1.7 O=C(O)C1CC=CC1 G-6381 [1,0,0,1,0,0|2,0,0]=4 173 B8R1.7 O=C(O)C1CCOC1 C-3386 [1,0,0,1,0,0|1,0,1]=4 174 B8R1.7 O=C(O)[C@@H]1CCOC1 C-2786 [1,0,0,1,0,0|1,0,1]=4 175 B8R1.7 O=C(O)[C@H]1CCOC1 C-2785 [1,0,0,1,0,0|1,0,1]=4 176 B8R1.31 CC(=O)[C@@H]1CC[C@H]1C P50610 [1,0,0,1,0,0|1,0,1]=4 177 B8R1.31 CC(=O)[C@H]1CC[C@H]1C P45662 [1,0,0,1,0,0|1,0,1]=4 178 B8R1.34 CC(=O)CC1CCC1 P48892 [1,0,0,1,0,0|1,0,1]=4 179 B8R1.34 O=C(O)CC1COC1 F-4181 [1,0,0,1,0,0|1,0,1]=4 180 B8R1.23 C=C1CC(C(=O)O)C1 D-2502 [1,0,0,1,0,0|1,0,0]=3 181 B8R1.23 CC(=O)C1CC(O)C1 H-8191 [1,0,0,1,0,0|0,0,2]=4 182 B8R1.23 CC(=O)N1CC(=O)C1 P47097 [1,0,0,1,0,0|1,0,0]=3 183 B8R1.23 CC(F)C1CC(=O)C1 P46360 [1,0,0,1,0,0|1,0,1]=4 184 B8R1.23 CC(O)C1CC(=O)C1 P46310 [1,0,0,1,0,0|0,0,2]=4 185 B8R1.23 CC1CC(C(=O)O)C1 L14063 [1,0,0,1,0,0|1,0,1]=4 186 B8R1.23 CN(C)C1CC(=O)C1 P48380 [1,0,0,1,0,0|2,0,0]=4 187 B8R1.23 CN1CC(C(=O)O)C1 C-2243 [1,0,0,1,0,0|2,0,0]=4 188 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 G-6829 [1,0,0,1,0,0|1,0,1]=4 189 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 G-6830 [1,0,0,1,0,0|1,0,1]=4 190 B8R1.23 NC1CC(C(=O)O)C1 G-7780 [1,0,0,1,0,0|1,0,1]=4 191 B8R1.23 NC1CC(C(=O)O)C1 P47808 [1,0,0,1,0,0|1,0,1]=4 192 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 C-2277 [1,0,0,1,0,0|1,0,1]=4 193 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 C-2277-1 [1,0,0,1,0,0|1,0,1]=4 194 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 C-2278 [1,0,0,1,0,0|1,0,1]=4 195 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 P44571 [1,0,0,1,0,0|1,0,1]=4 196 B8R1.23 O=C(O)C1CC(Cl)C1 F-4598 [1,0,0,1,0,0|1,0,1]=4 197 B8R1.23 O=C(O)C1CC(F)C1 D-2564 [1,0,0,1,0,0|1,0,1]=4 198 B8R1.23 O=C(O)C1CC(O)C1 A-876 [1,0,0,1,0,0|0,0,2]=4 199 B8R1.23 O=C(O)C1CC(O)C1 F-4100 [1,0,0,1,0,0|0,0,2]=4 200 B8R1.23 O=C(O)C1CC(O)C1 F-4101 [1,0,0,1,0,0|0,0,2]=4 201 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 L21925 [1,0,0,1,0,0|1,0,1]=4 202 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 L14175 [1,0,0,1,0,0|1,0,1]=4 203 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 L21353 [1,0,0,1,0,0|1,0,1]=4 204 B8R1.23 O=C1CC(C(=O)O)C1 D-2503 [1,0,0,1,0,0|0,0,0]=2 205 B8R1.23 O=C1CC(C(=O)O)N1 P34768 [1,0,0,1,0,0|1,0,0]=3 206 B8R1.23 O=C1CC(C(=O)O)O1 P44894 [1,0,0,1,0,0|1,0,0]=3 207 B8R1.23 O=C1C[C@@H](C(=O)O)N1 I-9933 [1,0,0,1,0,0|1,0,0]=3 208 B8R1.23 O=C1C[C@H](C(=O)O)N1 I-9634 [1,0,0,1,0,0|1,0,0]=3 209 B8R1.51 CC1(C)CCC(=O)C1 L21292 [1,0,0,1,0,0|1,0,1]=4 210 B8R1.51 O=C1CCS(=O)(=O)C1 P40591 [1,0,0,1,0,0|1,0,1]=4 211 B8R1.18 CN1CC(=O)CC1=O Q55049 [0,0,0,1,1,0|1,0,0]=3 212 B10R1.13 CC(=O)N1CCC(=O)CC1 P45761 [0,0,0,1,0,1|1,0,0]=3 213 B10R1.13 O=C1CCC(C(=O)O)CC1 F-4452 [0,0,0,1,0,1|2,0,0]=4 214 B10R1.13 O=C1CCC(C(=O)O)CN1 C-3651 [0,0,0,1,0,1|2,0,0]=4 215 B10R1.13 O=C1CCC(C(=O)O)NC1 F-4380 [0,0,0,1,0,1|2,0,0]=4 216 B10R1.13 O=C1CCC(C(=O)O)NC1 M23652 [0,0,0,1,0,1|2,0,0]=4 217 B10R1.13 O=C1CC[C@@H](C(=O)O)CN1 Q55736 [0,0,0,1,0,1|2,0,0]=4 218 B10R1.13 O=C1CC[C@@H](C(=O)O)NC1 Q55039 [0,0,0,1,0,1|2,0,0]=4 219 B10R1.13 O=C1CC[C@@H](C(=O)O)NC1 Q55040 [0,0,0,1,0,1|2,0,0]=4 220 B10R1.13 O=C1CC[C@H](C(=O)O)CN1 Q55737 [0,0,0,1,0,1|2,0,0]=4 221 B10R1.13 O=C1CC[C@H](C(=O)O)NC1 Q55041 [0,0,0,1,0,1|2,0,0]=4 222 B10R1.13 O=C1CC[C@H](C(=O)O)NC1 Q55042 [0,0,0,1,0,1|2,0,0]=4 223 B10R1.14 COC(=O)C1=CC(=O)CC1 O31344 [0,0,0,1,0,1|0,0,1]=3 224 B10R1.14 COC(=O)C1CC(O)CN1 Q59355 [0,0,0,1,0,1|0,0,2]=4 225 B10R1.14 COC(=O)C1CCC(=O)C1 G-6549 [0,0,0,1,0,1|0,0,0]=2 226 B10R1.14 COC(=O)C1CCC(Br)C1 Q57113 [0,0,0,1,0,1|1,0,1]=4 227 B10R1.14 COC(=O)C1CCC(F)C1 Q56994 [0,0,0,1,0,1|1,0,1]=4 228 B10R1.14 COC(=O)C1CCC(N)C1 Q52413 [0,0,0,1,0,1|1,0,1]=4 229 B10R1.14 COC(=O)C1CCC(O)C1 Q52112 [0,0,0,1,0,1|0,0,2]=4 230 B10R1.14 COC(=O)C1CCN(C)C1 P38659 [0,0,0,1,0,1|2,0,0]=4 231 B10R1.14 COC(=O)C1CNC(=O)C1 G-7599 [0,0,0,1,0,1|0,0,0]=2 232 B10R1.14 COC(=O)C1COC(=O)N1 P34786 [0,0,0,1,0,1|1,0,0]=3 233 B10R1.14 COC(=O)N1CCC(N)C1 Q59181 [0,0,0,1,0,1|1,0,1]=4 234 B10R1.14 COC(=O)[C@@H]1CCC(=O)C1 L13047 [0,0,0,1,0,1|0,0,0]=2 235 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 G-6978 [0,0,0,1,0,1|1,0,0]=3 236 B10R1.14 COC(=O)[C@@H]1CC[C@@H](F)C1 Q52909 [0,0,0,1,0,1|1,0,1]=4 237 B10R1.14 COC(=O)[C@@H]1CC[C@@H](N)C1 L18149 [0,0,0,1,0,1|1,0,1]=4 238 B10R1.14 COC(=O)[C@@H]1CC[C@@H](O)C1 L22418 [0,0,0,1,0,1|0,0,2]=4 239 B10R1.14 COC(=O)[C@@H]1CC[C@H](N)C1 L13341 [0,0,0,1,0,1|1,0,1]=4 240 B10R1.14 COC(=O)[C@@H]1CC[C@H](O)C1 I-9853 [0,0,0,1,0,1|0,0,2]=4 241 B10R1.14 COC(=O)[C@@H]1CC[C@H](O)C1 Q56974 [0,0,0,1,0,1|0,0,2]=4 242 B10R1.14 COC(=O)[C@@H]1CNC(=O)C1 Q55618 [0,0,0,1,0,1|0,0,0]=2 243 B10R1.14 COC(=O)[C@@H]1COC(=O)N1 P41669 [0,0,0,1,0,1|1,0,0]=3 244 B10R1.14 COC(=O)[C@@H]1C[C@@H](S)CN1 P50858 [0,0,0,1,0,1|0,1,1]=4 245 B10R1.14 COC(=O)[C@@H]1C[C@H](F)CN1 G-7740 [0,0,0,1,0,1|1,0,1]=4 246 B10R1.14 COC(=O)[C@@H]1C[C@H](O)CN1 P38268 [0,0,0,1,0,1|0,0,2]=4 247 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 L13046 [0,0,0,1,0,1|0,0,0]=2 248 B10R1.14 COC(=O)[C@H]1CC[C@@H](Br)C1 Q56993 [0,0,0,1,0,1|1,0,1]=4 249 B10R1.14 COC(=O)[C@H]1CC[C@@H](F)C1 Q52908 [0,0,0,1,0,1|1,0,1]=4 250 B10R1.14 COC(=O)[C@H]1CC[C@@H](N)C1 K12005 [0,0,0,1,0,1|1,0,1]=4 251 B10R1.14 COC(=O)[C@H]1CC[C@@H](O)C1 Q56975 [0,0,0,1,0,1|0,0,2]=4 252 B10R1.14 COC(=O)[C@H]1CC[C@H](Br)C1 L21293 [0,0,0,1,0,1|1,0,1]=4 253 B10R1.14 COC(=O)[C@H]1CC[C@H](N)C1 L21260 [0,0,0,1,0,1|1,0,1]=4 254 B10R1.14 COC(=O)[C@H]1CNC(=O)C1 Q55617 [0,0,0,1,0,1|0,0,0]=2 255 B10R1.14 COC(=O)[C@H]1COC(=O)N1 10192 [0,0,0,1,0,1|1,0,0]=3 256 B10R1.14 COC(=O)[C@H]1C[C@@H](F)CN1 L13088 [0,0,0,1,0,1|1,0,1]=4 257 B10R1.14 COC(=O)[C@H]1C[C@@H](O)CN1 G-7666 [0,0,0,1,0,1|0,0,2]=4 258 B10R1.14 COC(=O)[C@H]1C[C@H](O)CN1 O31897 [0,0,0,1,0,1|0,0,2]=4 259 B10R1.14 COC(=O)[C@H]1C[C@H](S)CN1 Q53263 [0,0,0,1,0,1|0,1,1]=4 260 B10R1.54 CC(=O)O[C@H]1C=CC(=O)C1 L13760 [0,0,0,1,0,1|1,0,1]=4 261 B10R1.54 CC(C)C[C@@H]1COC(=O)N1 Q70109 [0,0,0,1,0,1|1,0,1]=4 262 B10R1.54 O=C(O)CC1CNC(=O)C1 Q64480 [0,0,0,1,0,1|2,0,0]=4 263 B10R1.54 O=C(O)C[C@@H]1CCC(=O)N1 Q53114 [0,0,0,1,0,1|2,0,0]=4 264 B10R1.54 O=C(O)C[C@@H]1CNC(=O)C1 Q64481 [0,0,0,1,0,1|2,0,0]=4 265 B10R1.54 O=C(O)C[C@H]1CNC(=O)C1 Q64484 [0,0,0,1,0,1|2,0,0]=4 266 B10R1.150 COC(=O)CC1CC(=O)C1 L13153 [0,0,0,1,0,1|0,0,0]=2 267 B10R1.150 COC(=O)CC1CC(N)C1 P46199 [0,0,0,1,0,1|1,0,1]=4 268 B10R1.150 COC(=O)CC1CC(O)C1 P44044 [0,0,0,1,0,1|0,0,2]=4 269 B10R1.150 COC(=O)CC1CN(C)C1 H-8143 [0,0,0,1,0,1|2,0,0]=4 270 B10R1.150 COC(=O)C[C@H]1C[C@@H](O)C1 P44034 [0,0,0,1,0,1|0,0,2]=4 271 B10R1.150 COC(=O)C[C@H]1C[C@H](O)C1 P49732 [0,0,0,1,0,1|0,0,2]=4 272 B10R1.194 CN1C(=O)CCC1C(=O)O F-4854 [0,0,0,1,0,1|2,0,0]=4 273 B10R1.194 CN1C(=O)CC[C@@H]1C(=O)O P51418 [0,0,0,1,0,1|2,0,0]=4 274 B10R1.194 CN1C(=O)CC[C@H]1C(=O)O P51631 [0,0,0,1,0,1|2,0,0]=4 275 B10R1.408 COC(=O)C1CC1C(=O)O L21970 [0,0,0,1,0,1|1,0,0]=3 276 B10R1.408 COC(=O)[C@@H]1C[C@@H]1C(=O)O L14730 [0,0,0,1,0,1|1,0,0]=3 277 B10R1.408 COC(=O)[C@@H]1C[C@H]1C(=O)O L22356 [0,0,0,1,0,1|1,0,0]=3 278 B10R1.416 COC(=O)C1CCC1(C)C P45624 [0,0,0,1,0,1|1,0,1]=4 279 B10R1.416 COC(=O)C1OCC1(C)C Q52358 [0,0,0,1,0,1|1,0,1]=4 280 B10R1.58 CN1CC(C(N)=O)CC1=O M22706 [0,1,0,1,0,0|2,0,0]=4 281 B10R1.58 CN1C[C@@H](C(=O)O)CC1=O Q54897 [0,1,0,1,0,0|2,0,0]=4 282 B10R1.58 CN1C[C@H](C(=O)O)CC1=O Q54898 [0,1,0,1,0,0|2,0,0]=4 283 B10R1.83 CC1(C)C(=O)CC1C(=O)O I-9030 [0,1,0,1,0,0|2,0,0]=4 284 B10R1.470 CC1(C(=O)O)CCC(=O)C1 Q56977 [0,1,0,1,0,0|2,0,0]=4 285 B10R1.413 COC(=O)C1CC(C)(C)C1 G-7601 [0,1,0,1,0,0|1,0,1]=4 286 B10R1.413 COC(=O)C1CC(F)(F)C1 C-2310 [0,1,0,1,0,0|1,0,1]=4 287 B10R1.25 CCN1CCC(=O)CC1=O S72466 [0,1,0,1,0,0|2,0,0]=4 288 B10R1.184 COC(=O)C(N)CC1CC1 M23285 [0,1,0,1,0,0|1,0,1]=4 289 B10R1.184 COC(=O)[C@@H](N)CC1CC1 P39887 [0,1,0,1,0,0|1,0,1]=4 290 B10R1.424 COC(=O)C1(C)CC(=O)C1 G-7348 [0,1,0,1,0,0|0,0,0]=2 291 B10R1.424 COC(=O)C1(C)CC(O)C1 I-9476 [0,1,0,1,0,0|0,0,2]=4 292 B10R1.424 COC(=O)C1(F)CC(=O)C1 P46118 [0,1,0,1,0,0|0,0,0]=2 293 B10R1.424 COC(=O)C1(F)CC(F)C1 P50448 [0,1,0,1,0,0|1,0,1]=4 294 B10R1.424 COC(=O)C1(F)CC(O)C1 P46055 [0,1,0,1,0,0|0,0,2]=4 295 B10R1.424 COC(=O)C1(N)CC(F)C1 P47186 [0,1,0,1,0,0|1,0,1]=4 296 B10R1.424 COC(=O)[C@]1(C)C[C@@H](N)C1 P50479 [0,1,0,1,0,0|1,0,1]=4 297 B10R1.424 COC(=O)[C@]1(C)C[C@@H](O)C1 L21457 [0,1,0,1,0,0|0,0,2]=4 298 B10R1.424 COC(=O)[C@]1(C)C[C@H](N)C1 P50480 [0,1,0,1,0,0|1,0,1]=4 299 B10R1.424 COC(=O)[C@]1(C)C[C@H](O)C1 L21473 [0,1,0,1,0,0|0,0,2]=4 300 B10R1.424 COC(=O)[C@]1(F)C[C@@H](N)C1 P50476 [0,1,0,1,0,0|1,0,1]=4 301 B10R1.424 COC(=O)[C@]1(F)C[C@H](N)C1 P50475 [0,1,0,1,0,0|1,0,1]=4 302 B10R1.151 COC(=O)CCC1CCC1 P47751 [0,1,0,1,0,0|1,0,1]=4 303 B10R1.169 C#CC1CC(C(=O)OC)C1 P46541 [0,1,0,1,0,0|1,0,1]=4 304 B10R1.169 C(=O)C1CC(C(=O)OC)C1 P47146 [0,1,0,1,0,0|0,0,1]=3 305 B10R1.169 C(=O)[C@H]1C[C@@H](C(=O)OC)C1 P48347 [0,1,0,1,0,0|0,0,1]=3 306 B10R1.169 C(=O)[C@H]1C[C@H](C(=O)OC)C1 P48348 [0,1,0,1,0,0|0,0,1]=3 307 B10R1.169 CN[C@H]1C[C@@H](C(=O)OC)C1 P46473 [0,1,0,1,0,0|1,0,1]=4 308 B10R1.169 CN[C@H]1C[C@H](C(=O)OC)C1 P50282 [0,1,0,1,0,0|1,0,1]=4 309 B10R1.169 COC(=O)C1CC(C#N)C1 P43787 [0,1,0,1,0,0|1,0,1]=4 310 B10R1.169 COC(=O)C1CC(CBr)C1 P44074 [0,1,0,1,0,0|1,0,1]=4 311 B10R1.169 COC(=O)C1CC(CN)C1 I-9773 [0,1,0,1,0,0|1,0,1]=4 312 B10R1.169 COC(=O)C1CC(CN)C1 P47716 [0,1,0,1,0,0|1,0,1]=4 313 B10R1.169 COC(=O)C1CC(CO)C1 L14794 [0,1,0,1,0,0|0,0,2]=4 314 B10R1.169 COC(=O)[C@H]1C[C@@H](CN)C1 P47157 [0,1,0,1,0,0|1,0,1]=4 315 B10R1.169 COC(=O)[C@H]1C[C@@H](CN)C1 P50536 [0,1,0,1,0,0|1,0,1]=4 316 B10R1.169 COC(=O)[C@H]1C[C@@H](CO)C1 P45913 [0,1,0,1,0,0|0,0,2]=4 317 B10R1.169 COC(=O)[C@H]1C[C@H](CN)C1 P47246 [0,1,0,1,0,0|1,0,1]=4 318 B10R1.169 COC(=O)[C@H]1C[C@H](CN)C1 P50532 [0,1,0,1,0,0|1,0,1]=4 319 B10R1.169 COC(=O)[C@H]1C[C@H](CO)C1 P47220 [0,1,0,1,0,0|0,0,2]=4 320 B10R1.113 CC(=O)N1CCNC(=O)C1 L18350 [0,1,0,1,0,0|2,0,0]=4 321 B10R1.113 O=C1CC(C(=O)O)CCN1 G-5564 [0,1,0,1,0,0|2,0,0]=4 322 B10R1.113 O=C1CCCC(C(=O)O)C1 P47766 [0,1,0,1,0,0|2,0,0]=4 323 B10R1.113 O=C1CCC[C@@H](C(=O)O)C1 P46177 [0,1,0,1,0,0|2,0,0]=4 324 B10R1.113 O=C1CCC[C@H](C(=O)O)C1 P46176 [0,1,0,1,0,0|2,0,0]=4 325 B10R1.113 O=C1CCNC(C(=O)O)C1 Q55043 [0,1,0,1,0,0|2,0,0]=4 326 B10R1.113 O=C1CCNC(C(=O)O)C1 S72456 [0,1,0,1,0,0|2,0,0]=4 327 B10R1.113 O=C1CCN[C@H](C(=O)O)C1 M23516 [0,1,0,1,0,0|2,0,0]=4 328 B10R1.113 O=C1CCN[C@H](C(=O)O)C1 M23534 [0,1,0,1,0,0|2,0,0]=4 329 B10R1.113 O=C1CCOC(C(=O)O)C1 Q61442 [0,1,0,1,0,0|2,0,0]=4 330 B10R1.1 COCC1CCC(=O)CC1 P47304 [0,1,0,1,0,0|1,0,1]=4 331 B10R1.140 CCOC(=O)C1CC(Br)C1 O33570 [0,1,0,1,0,0|1,0,1]=4 332 B10R1.140 CCOC(=O)C1CC(F)C1 P47878 [0,1,0,1,0,0|1,0,1]=4 333 B10R1.140 CCOC(=O)C1CC(I)C1 P34763 [0,1,0,1,0,0|1,0,1]=4 334 B10R1.140 CCOC(=O)C1CC(N)C1 P41473 [0,1,0,1,0,0|1,0,1]=4 335 B10R1.140 CCOC(=O)C1CC(N)C1 P45251 [0,1,0,1,0,0|1,0,1]=4 336 B10R1.140 CCOC(=O)C1CC(O)C1 A-432 [0,1,0,1,0,0|0,0,2]=4 337 B10R1.140 CCOC(=O)C1CC(O)C1 F-4148 [0,1,0,1,0,0|0,0,2]=4 338 B10R1.140 CCOC(=O)C1CC(O)C1 F-4149 [0,1,0,1,0,0|0,0,2]=4 339 B10R1.140 CCOC(=O)[C@@H]1CC(=O)O1 Q54790 [0,1,0,1,0,0|1,0,0]=3 340 B10R1.140 CCOC(=O)[C@H]1CC(=O)O1 Q54791 [0,1,0,1,0,0|1,0,0]=3 341 B10R1.140 CCOC(=O)[C@H]1C[C@@H](N)C1 P44311 [0,1,0,1,0,0|1,0,1]=4 342 B10R1.140 CCOC(=O)[C@H]1C[C@H](N)C1 P44717 [0,1,0,1,0,0|1,0,1]=4 343 B10R1.140 CCOC(=O)[C@H]1C[C@H](N)C1 P44719 [0,1,0,1,0,0|1,0,1]=4 344 B10R2.372 COC(=O)C12CC1(C)C2 Q64334 [0,0,0,2,0,0|1,0,1]=4 345 B10R2.376 COC(=O)C12CC(C1)C2 P49872 [0,0,0,2,0,0|1,0,1]=4 346 B6R0.2 CC(O)CC(=O)O P38963 [1,0,0,0,1,0|0,0,2]=4 347 B6R0.2 C[C@@H](N)CC(=O)O P38442 [1,0,0,0,1,0|1,0,1]=4 348 B6R0.2 C[C@@H](N)CC(=O)O Q68956 [1,0,0,0,1,0|1,0,1]=4 349 B6R0.2 C[C@@H](O)CC(=O)O P36990 [1,0,0,0,1,0|0,0,2]=4 350 B6R0.2 C[C@H](N)CC(=O)O P38443 [1,0,0,0,1,0|1,0,1]=4 351 B6R0.2 C[C@H](O)CC(=O)O P37046 [1,0,0,0,1,0|0,0,2]=4