0 B8R0.7 CCNCCCN(C)C G-7104 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.7 CN(C)CCCCCN P38845 [0,0,0,0,0,0|2,0,1]=3 2 B8R0.7 CN(C)CCOCCN P35778 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.1 C#CCCCCCI Q66056 [1,0,0,0,0,0|2,0,1]=4 4 B7R0.1 CCCCNCC#N P38905 [1,0,0,0,0,0|2,0,1]=4 5 B7R0.1 CCCCOCCN P36925 [1,0,0,0,0,0|2,0,1]=4 6 B7R0.1 O=CCCCCCCl O30105 [1,0,0,0,0,0|1,0,0]=2 7 B7R0.4 CC(C)CNCC#N M22778 [1,0,0,0,0,0|2,0,1]=4 8 B9R0.55 CN(C)CCCCC(=O)O P35297 [0,1,0,0,0,0|1,0,0]=2 9 B9R1.2 C=CC1CCCC(=O)C1 P47289 [0,0,0,1,0,0|2,0,1]=4 10 B9R1.2 CC1CC(C#N)CCO1 Q57694 [0,0,0,1,0,0|2,0,1]=4 11 B9R1.2 CC1CC(CN)CCN1 Q65210 [0,0,0,1,0,0|2,0,1]=4 12 B9R1.2 CC1CC(CN)CCO1 Q57803 [0,0,0,1,0,0|2,0,1]=4 13 B9R1.2 CC1CC(CN)CCO1 Q57804 [0,0,0,1,0,0|2,0,1]=4 14 B9R1.2 CC1CC(CO)CCO1 Q57696 [0,0,0,1,0,0|1,0,2]=4 15 B9R1.2 CC1CC(NN)CCO1 Q57690 [0,0,0,1,0,0|3,0,0]=4 16 B9R1.2 CC1CCCC(C=O)C1 Q59550 [0,0,0,1,0,0|0,0,0]=1 17 B9R1.2 CC1CCCC(CBr)C1 Q59544 [0,0,0,1,0,0|1,0,1]=3 18 B9R1.2 CC1CCCC(CO)C1 Q59549 [0,0,0,1,0,0|0,0,2]=3 19 B9R1.2 CC1CCCC(CO)N1 F-4721 [0,0,0,1,0,0|1,0,2]=4 20 B9R1.2 CC1CCCC(NN)C1 L20937 [0,0,0,1,0,0|2,0,0]=3 21 B9R1.2 CC1CCCC(NN)C1 Q59504 [0,0,0,1,0,0|2,0,0]=3 22 B9R1.2 CN1CCCC(C=O)C1 S72464 [0,0,0,1,0,0|1,0,0]=2 23 B9R1.2 CN1CCCC(CN)C1 C-2762 [0,0,0,1,0,0|2,0,1]=4 24 B9R1.2 CN1CCC[C@@H](CN)C1 G-5005 [0,0,0,1,0,0|2,0,1]=4 25 B9R1.2 CN1CCC[C@@H](CN)C1 G-5267 [0,0,0,1,0,0|2,0,1]=4 26 B9R1.2 CN1CCC[C@@H](CO)C1 L14188 [0,0,0,1,0,0|1,0,2]=4 27 B9R1.2 CN1CCC[C@H](CN)C1 G-5006 [0,0,0,1,0,0|2,0,1]=4 28 B9R1.2 CN1CCC[C@H](CN)C1 Q51837 [0,0,0,1,0,0|2,0,1]=4 29 B9R1.2 CN1CCC[C@H](CO)C1 Q54917 [0,0,0,1,0,0|1,0,2]=4 30 B9R1.2 COC1CCCC(O)C1 L21478 [0,0,0,1,0,0|3,0,0]=4 31 B9R1.2 CO[C@@H]1CCC[C@@H](N)C1 P49873 [0,0,0,1,0,0|3,0,0]=4 32 B9R1.2 CO[C@@H]1CCC[C@@H](O)C1 P46941 [0,0,0,1,0,0|3,0,0]=4 33 B9R1.2 CO[C@@H]1CCC[C@H](O)C1 P46930 [0,0,0,1,0,0|3,0,0]=4 34 B9R1.2 CO[C@@H]1CCC[C@H](O)C1 P47713 [0,0,0,1,0,0|3,0,0]=4 35 B9R1.2 CO[C@@H]1CCN[C@H](C)C1 K10846 [0,0,0,1,0,0|3,0,0]=4 36 B9R1.2 CO[C@H]1CCC[C@@H](O)C1 P46929 [0,0,0,1,0,0|3,0,0]=4 37 B9R1.2 CO[C@H]1CCC[C@H](O)C1 P45107 [0,0,0,1,0,0|3,0,0]=4 38 B9R1.2 CO[C@H]1CCC[C@H](O)C1 P46656 [0,0,0,1,0,0|3,0,0]=4 39 B9R1.2 CO[C@H]1CCN[C@@H](C)C1 K10845 [0,0,0,1,0,0|3,0,0]=4 40 B9R1.2 CO[C@H]1CCN[C@H](C)C1 Q61363 [0,0,0,1,0,0|3,0,0]=4 41 B9R1.2 C[C@H]1CCOC(C=O)C1 Q57858 [0,0,0,1,0,0|1,0,0]=2 42 B9R1.2 C[C@H]1C[C@@H](CO)CCN1 Q61114 [0,0,0,1,0,0|1,0,2]=4 43 B9R1.2 NCC1CCCC(O)C1 P49691 [0,0,0,1,0,0|2,0,1]=4 44 B9R1.2 N[C@@H]1CCC[C@@H](CO)C1 P48428 [0,0,0,1,0,0|1,0,2]=4 45 B9R1.6 CC(C)C1CCNCC1 P43343 [0,0,0,1,0,0|2,0,1]=4 46 B9R1.6 CC(C)C1CNCCN1 P35854 [0,0,0,1,0,0|2,0,1]=4 47 B9R1.6 CC(C)C1CNCCO1 B-1072 [0,0,0,1,0,0|1,0,2]=4 48 B9R1.6 CC(C)C1COCCN1 F-4067 [0,0,0,1,0,0|2,0,1]=4 49 B9R1.6 CC(C)[C@@H]1CNCCO1 B-1074 [0,0,0,1,0,0|1,0,2]=4 50 B9R1.6 CC(C)[C@@H]1COCCN1 B-1067 [0,0,0,1,0,0|2,0,1]=4 51 B9R1.6 CC(C)[C@@H]1COCCN1 O28330 [0,0,0,1,0,0|2,0,1]=4 52 B9R1.6 CC(C)[C@H]1CNCCO1 B-1073 [0,0,0,1,0,0|1,0,2]=4 53 B9R1.6 CC(C)[C@H]1COCCN1 B-1068 [0,0,0,1,0,0|2,0,1]=4 54 B9R1.6 CC(C)[C@H]1COCCN1 O28323 [0,0,0,1,0,0|2,0,1]=4 55 B9R1.6 CC(N)C1CCCCC1 M23210 [0,0,0,1,0,0|2,0,1]=4 56 B9R1.6 CC(N)C1CCCCO1 Q57678 [0,0,0,1,0,0|1,0,2]=4 57 B9R1.6 CC(N)C1CCCOC1 Q57833 [0,0,0,1,0,0|3,0,0]=4 58 B9R1.6 CC(N)C1CCCOC1 Q57834 [0,0,0,1,0,0|3,0,0]=4 59 B9R1.6 CC(O)C1CCCCC1 P42370 [0,0,0,1,0,0|2,0,1]=4 60 B9R1.6 CN(C)C1CCCNC1 10066 [0,0,0,1,0,0|3,0,0]=4 61 B9R1.6 CN(C)C1CCCNC1 O28829 [0,0,0,1,0,0|3,0,0]=4 62 B9R1.6 CN(C)[C@H]1CCCNC1 Q53267 [0,0,0,1,0,0|3,0,0]=4 63 B9R1.6 C[C@@H](N)C1CCCCO1 Q57872 [0,0,0,1,0,0|1,0,2]=4 64 B9R1.6 C[C@@H](N)C1CCCCO1 Q57873 [0,0,0,1,0,0|1,0,2]=4 65 B9R1.6 C[C@H](N)C1CCCOC1 Q57835 [0,0,0,1,0,0|3,0,0]=4 66 B9R1.7 CC1CCN(CCBr)C1 Q59210 [0,0,0,1,0,0|2,0,1]=4 67 B9R1.7 CC1CCN(CCO)C1 Q59221 [0,0,0,1,0,0|1,0,2]=4 68 B9R1.7 CN1CCC(CCN)C1 G-5346 [0,0,0,1,0,0|2,0,1]=4 69 B9R1.7 CN1CCC(CCO)C1 G-5270 [0,0,0,1,0,0|1,0,2]=4 70 B9R1.7 CN1CC[C@@H](CCO)C1 Q54911 [0,0,0,1,0,0|1,0,2]=4 71 B9R1.7 CN1CC[C@H](CCO)C1 Q54912 [0,0,0,1,0,0|1,0,2]=4 72 B9R1.13 CC(C)CC1CCNC1 S72560 [0,0,0,1,0,0|2,0,0]=3 73 B9R1.13 CC(C)OC1CCNC1 P42194 [0,0,0,1,0,0|3,0,0]=4 74 B9R1.13 CC(C)OC1CCNC1 Q61982 [0,0,0,1,0,0|3,0,0]=4 75 B9R1.13 CC(C)O[C@@H]1CCNC1 P42399 [0,0,0,1,0,0|3,0,0]=4 76 B9R1.13 CC(C)O[C@@H]1CCNC1 Q61983 [0,0,0,1,0,0|3,0,0]=4 77 B9R1.13 CC(C)O[C@H]1CCNC1 P43058 [0,0,0,1,0,0|3,0,0]=4 78 B9R1.13 CC(O)CC1CCCN1 Q59227 [0,0,0,1,0,0|2,0,1]=4 79 B9R1.13 CN(C)CC1CCCN1 O28921 [0,0,0,1,0,0|2,0,1]=4 80 B9R1.13 CN(C)CC1CCNC1 G-7735 [0,0,0,1,0,0|3,0,0]=4 81 B9R1.13 CN(C)CC1CCNC1 S72463 [0,0,0,1,0,0|3,0,0]=4 82 B9R1.13 CN(C)C[C@@H]1CCCN1 L22126 [0,0,0,1,0,0|2,0,1]=4 83 B9R1.13 CN(C)C[C@@H]1CCNC1 O33410 [0,0,0,1,0,0|3,0,0]=4 84 B9R1.13 CN(C)C[C@@H]1CCNC1 Q61712 [0,0,0,1,0,0|3,0,0]=4 85 B9R1.13 CN(C)C[C@H]1CCCN1 I-9768 [0,0,0,1,0,0|2,0,1]=4 86 B9R1.13 CN(C)C[C@H]1CCNC1 O33414 [0,0,0,1,0,0|3,0,0]=4 87 B9R1.13 CN(C)C[C@H]1CCNC1 Q61711 [0,0,0,1,0,0|3,0,0]=4 88 B9R1.40 CC1(C)C=CCCC1=O P43828 [0,0,0,1,0,0|0,0,2]=3 89 B9R1.40 CC1(C)CCCCC1=O P49436 [0,0,0,1,0,0|0,0,0]=1 90 B9R1.40 CC1(C)CNCCC1=O G-7989 [0,0,0,1,0,0|1,0,0]=2 91 B9R1.40 CC1(C)CNCCC1F Q54413 [0,0,0,1,0,0|2,0,1]=4 92 B9R1.40 CC1(C)CNCCC1N Q62760 [0,0,0,1,0,0|2,0,1]=4 93 B9R1.40 CC1(C)CNCCC1O G-7990 [0,0,0,1,0,0|1,0,2]=4 94 B9R1.40 CC1(C)CNCC[C@@H]1N Q62761 [0,0,0,1,0,0|2,0,1]=4 95 B9R1.40 CC1(C)CNCC[C@H]1N Q62762 [0,0,0,1,0,0|2,0,1]=4 96 B9R1.40 CC1(C)COC=CC1=O P51625 [0,0,0,1,0,0|1,0,2]=4 97 B9R1.40 CC1(C)COCCC1=O L13076 [0,0,0,1,0,0|1,0,0]=2 98 B9R1.40 CC1(C)COCCC1N I-9296 [0,0,0,1,0,0|2,0,1]=4 99 B9R1.40 CC1(C)COCCC1O P51624 [0,0,0,1,0,0|1,0,2]=4 100 B9R1.40 CC1(C)COCC[C@@H]1N Q63326 [0,0,0,1,0,0|2,0,1]=4 101 B9R1.40 CC1(C)COCC[C@H]1N Q63325 [0,0,0,1,0,0|2,0,1]=4 102 B9R1.40 CC1(C)NCCNC1=O G-7651 [0,0,0,1,0,0|2,0,0]=3 103 B9R1.40 CC1(C)OCCCC1=O Q61432 [0,0,0,1,0,0|1,0,0]=2 104 B9R1.40 CC1(O)CCCCC1N Q59554 [0,0,0,1,0,0|2,0,1]=4 105 B9R1.40 CC1(O)COCCC1=O Q54633 [0,0,0,1,0,0|2,0,0]=3 106 B9R1.40 CC1CCCCC1(C)O Q59744 [0,0,0,1,0,0|2,0,1]=4 107 B9R1.40 O=C1CCCCC1(F)F P44010 [0,0,0,1,0,0|2,0,0]=3 108 B9R1.40 O=C1CCNCC1(F)F G-7341 [0,0,0,1,0,0|3,0,0]=4 109 B9R1.40 O=C1CCOCC1(F)F Q64141 [0,0,0,1,0,0|3,0,0]=4 110 B9R1.40 O=C1NCCCC1(F)F Q63588 [0,0,0,1,0,0|3,0,0]=4 111 B9R1.41 CN(C)[C@@H]1CCCN1C G-7886 [0,0,0,1,0,0|3,0,0]=4 112 B9R1.41 CN(C)[C@@H]1CCC[C@@H]1O K10850 [0,0,0,1,0,0|1,0,2]=4 113 B9R1.48 CC1CC(=O)NCCN1 G-6003 [0,0,0,1,0,0|2,0,0]=3 114 B9R1.48 NC1CCCNC(=O)C1 S72677 [0,0,0,1,0,0|2,0,0]=3 115 B9R1.48 O=C1CCCNC(=O)C1 M15285 [0,0,0,1,0,0|2,0,1]=4 116 B9R1.84 CC(C)COC1CNC1 P48873 [0,0,0,1,0,0|3,0,0]=4 117 B9R1.84 CC(C)COC1CNC1 P49001 [0,0,0,1,0,0|3,0,0]=4 118 B9R1.84 CC(C)CSC1CNC1 P46830 [0,0,0,1,0,0|3,0,0]=4 119 B9R1.84 CC(C)CSC1CNC1 P48744 [0,0,0,1,0,0|3,0,0]=4 120 B9R1.84 CC(C)NCC1CCC1 P47037 [0,0,0,1,0,0|2,0,1]=4 121 B9R1.84 CC(C)NCC1CCC1 P49825 [0,0,0,1,0,0|2,0,1]=4 122 B9R1.96 CN(C)C1CCC1CO P46904 [0,0,0,1,0,0|1,0,2]=4 123 B9R1.96 CN(C)[C@@H]1CC[C@H]1CO P50275 [0,0,0,1,0,0|1,0,2]=4 124 B9R1.96 CN(C)[C@H]1CC[C@H]1CO P50818 [0,0,0,1,0,0|1,0,2]=4 125 B6R0.6 CNCCCCN L19491 [2,0,0,0,0,0|2,0,0]=4 126 B6R0.6 COCCCCN O29739 [2,0,0,0,0,0|2,0,0]=4 127 B6R0.4 CC(C)CCON L20789 [2,0,0,0,0,0|2,0,0]=4 128 B6R0.4 CC(C)NCCCl O34399 [2,0,0,0,0,0|2,0,0]=4 129 B6R0.4 CN(C)CCCBr O34500 [2,0,0,0,0,0|2,0,0]=4 130 B6R0.4 CNCCC(C)O P38146 [2,0,0,0,0,0|2,0,0]=4 131 B8R0.4 C#CCCCCCCI Q66057 [1,1,0,0,0,0|1,0,1]=4 132 B8R0.4 NCCCCCCCO P40165 [1,1,0,0,0,0|0,0,2]=4 133 B8R0.28 CC(=O)\C=C\CC(C)C O31440 [1,1,0,0,0,0|0,0,2]=4 134 B8R0.28 CC(C)CNCC(=O)O P38861 [1,1,0,0,0,0|1,0,0]=3 135 B10R0.98 CC(C)CCCC(N)C(=O)O P37369 [0,2,0,0,0,0|0,0,0]=2 136 B10R0.98 CC(C)CCC[C@H](N)C(=O)O M22853 [0,2,0,0,0,0|0,0,0]=2 137 B8R1.2 C=CC1CCOCC1 Q57821 [1,0,0,1,0,0|2,0,0]=4 138 B8R1.2 CC[C@@H]1CCCCN1 Q54717 [1,0,0,1,0,0|1,0,1]=4 139 B8R1.2 CC[C@@H]1CCCNC1 Q61422 [1,0,0,1,0,0|2,0,0]=4 140 B8R1.2 CC[C@H]1CCCNC1 Q61421 [1,0,0,1,0,0|2,0,0]=4 141 B8R1.2 N#CC1CCCCC1 P45205 [1,0,0,1,0,0|1,0,1]=4 142 B8R1.2 O=CC1CCCCO1 Q60246 [1,0,0,1,0,0|1,0,0]=3 143 B8R1.2 O=CC1CCNCC1 O30562 [1,0,0,1,0,0|1,0,0]=3 144 B8R1.2 O=CC1CCOCC1 C-3265 [1,0,0,1,0,0|1,0,0]=3 145 B8R1.2 O=CC1CCSCC1 O32574 [1,0,0,1,0,0|1,0,0]=3 146 B8R1.5 CC1CCCNC1=O L13669 [1,0,0,1,0,0|1,0,0]=3 147 B8R1.5 CC1CCNCC1=O F-4040 [1,0,0,1,0,0|1,0,0]=3 148 B8R1.5 CC1CNCCC1=O O34502 [1,0,0,1,0,0|1,0,0]=3 149 B8R1.5 CC1COCCC1=O F-4697 [1,0,0,1,0,0|1,0,0]=3 150 B8R1.5 CC1NCCNC1=O O34501 [1,0,0,1,0,0|2,0,0]=4 151 B8R1.5 CN1CCNCC1=O G-5499 [1,0,0,1,0,0|2,0,0]=4 152 B8R1.5 CN1CCNCC1=O G-5499-1 [1,0,0,1,0,0|2,0,0]=4 153 B8R1.5 C[C@@H]1CCCC[C@@H]1N O34546 [1,0,0,1,0,0|1,0,1]=4 154 B8R1.5 C[C@@H]1CCCC[C@@H]1N P46167 [1,0,0,1,0,0|1,0,1]=4 155 B8R1.5 C[C@@H]1CCCC[C@H]1N P44819 [1,0,0,1,0,0|1,0,1]=4 156 B8R1.5 C[C@@H]1CCCC[C@H]1N P44820 [1,0,0,1,0,0|1,0,1]=4 157 B8R1.5 C[C@@H]1CCCC[C@H]1N P45791 [1,0,0,1,0,0|1,0,1]=4 158 B8R1.5 C[C@@H]1NCCNC1=O O34331 [1,0,0,1,0,0|2,0,0]=4 159 B8R1.5 C[C@H]1CCCC[C@@H]1N P45803 [1,0,0,1,0,0|1,0,1]=4 160 B8R1.5 C[C@H]1CCCC[C@@H]1N P49914 [1,0,0,1,0,0|1,0,1]=4 161 B8R1.5 C[C@H]1CCCC[C@H]1N O34572 [1,0,0,1,0,0|1,0,1]=4 162 B8R1.5 C[C@H]1CCCC[C@H]1N P45166 [1,0,0,1,0,0|1,0,1]=4 163 B8R1.5 C[C@H]1NCCNC1=O O34330 [1,0,0,1,0,0|2,0,0]=4 164 B8R1.5 NC1CCCCC1=O P45934 [1,0,0,1,0,0|1,0,0]=3 165 B8R1.5 NN1CCCCC1=O B-1138 [1,0,0,1,0,0|2,0,0]=4 166 B8R1.5 N[C@@H]1CCCNC1=O O34375 [1,0,0,1,0,0|2,0,0]=4 167 B8R1.5 N[C@H]1CCCNC1=O O34462 [1,0,0,1,0,0|2,0,0]=4 168 B8R1.5 O=C1CCCCC1Br L21639 [1,0,0,1,0,0|1,0,0]=3 169 B8R1.5 O=C1CCCCC1F P45307 [1,0,0,1,0,0|1,0,0]=3 170 B8R1.5 O=C1CCNCC1Br Q52493 [1,0,0,1,0,0|2,0,0]=4 171 B8R1.5 O=C1CCNCC1F G-7340 [1,0,0,1,0,0|2,0,0]=4 172 B8R1.5 O=C1CCNCC1F Q56501 [1,0,0,1,0,0|2,0,0]=4 173 B8R1.5 O=C1CCOCC1Br C-3416 [1,0,0,1,0,0|2,0,0]=4 174 B8R1.5 O=C1CCOCC1F G-7272 [1,0,0,1,0,0|2,0,0]=4 175 B8R1.5 O=C1CCOC[C@H]1F Q52309 [1,0,0,1,0,0|2,0,0]=4 176 B8R1.5 O=C1COCCC1Br Q54651 [1,0,0,1,0,0|2,0,0]=4 177 B8R1.5 O=C1NCCCC1Br L18696 [1,0,0,1,0,0|2,0,0]=4 178 B8R1.5 O=C1NCCC[C@@H]1O P36280 [1,0,0,1,0,0|2,0,0]=4 179 B8R1.5 O=C1NCCC[C@H]1O P39619 [1,0,0,1,0,0|2,0,0]=4 180 B8R1.5 O=C1OCCCC1Br L20669 [1,0,0,1,0,0|2,0,0]=4 181 B8R1.8 BrCCC1CCCC1 P40215 [1,0,0,1,0,0|1,0,1]=4 182 B8R1.8 CNCC1CCCC1 P38031 [1,0,0,1,0,0|2,0,0]=4 183 B8R1.8 N#CCC1CCCC1 P37327 [1,0,0,1,0,0|1,0,1]=4 184 B8R1.8 NCCC1CCCC1 P37297 [1,0,0,1,0,0|1,0,1]=4 185 B8R1.8 NNCC1CCCC1 P44364 [1,0,0,1,0,0|2,0,0]=4 186 B8R1.8 NNCC1CCCC1 Q59135 [1,0,0,1,0,0|2,0,0]=4 187 B8R1.8 O=CCC1CCCC1 P37401 [1,0,0,1,0,0|0,0,0]=2 188 B8R1.8 O=CCN1CCCC1 P35023 [1,0,0,1,0,0|1,0,0]=3 189 B8R1.8 OCCC1CCCC1 P36182 [1,0,0,1,0,0|0,0,2]=4 190 B8R1.10 C=CCCN1CCC1 P45309 [1,0,0,1,0,0|2,0,0]=4 191 B8R1.10 CNCCC1CCC1 P34701 [1,0,0,1,0,0|2,0,0]=4 192 B8R1.10 NCCCC1CCC1 P35867 [1,0,0,1,0,0|1,0,1]=4 193 B8R1.10 O=C=NCC1CCC1 P47945 [1,0,0,1,0,0|1,0,1]=4 194 B8R1.10 O=CCCC1CCC1 P46841 [1,0,0,1,0,0|0,0,0]=2 195 B8R1.10 O=CCCC1CCO1 Q57245 [1,0,0,1,0,0|1,0,0]=3 196 B8R1.11 CC1CCCC1CN L20508 [1,0,0,1,0,0|1,0,1]=4 197 B8R1.11 CNC1CCNC1=O L20781 [1,0,0,1,0,0|2,0,0]=4 198 B8R1.11 O=C1NCCC1CO L13115 [1,0,0,1,0,0|2,0,0]=4 199 B8R1.22 BrC1CCCCCC1 P39447 [1,0,0,1,0,0|1,0,1]=4 200 B8R1.22 O=C1CCCNCC1 A-576 [1,0,0,1,0,0|1,0,0]=3 201 B8R1.22 O=C1CCNCCN1 Q52595 [1,0,0,1,0,0|2,0,0]=4 202 B8R1.22 O=C1CNCCCN1 O34379 [1,0,0,1,0,0|2,0,0]=4 203 B8R1.22 O=C1CNCCNC1 P46870 [1,0,0,1,0,0|2,0,0]=4 204 B8R1.1 CC1CC(CO)CN1 Q61629 [1,0,0,1,0,0|1,0,1]=4 205 B8R1.1 CCC1CCC(C)N1 Q59319 [1,0,0,1,0,0|1,0,1]=4 206 B8R1.1 CN1CCC(CO)C1 O34373 [1,0,0,1,0,0|1,0,1]=4 207 B8R1.1 CN1CC[C@@H](CN)C1 I-9757 [1,0,0,1,0,0|2,0,0]=4 208 B8R1.1 CN1CC[C@@H](CN)C1 L14238 [1,0,0,1,0,0|2,0,0]=4 209 B8R1.1 CN1CC[C@@H](CO)C1 G-5013 [1,0,0,1,0,0|1,0,1]=4 210 B8R1.1 CN1CC[C@H](CN)C1 I-9844 [1,0,0,1,0,0|2,0,0]=4 211 B8R1.1 CN1CC[C@H](CO)C1 G-5012 [1,0,0,1,0,0|1,0,1]=4 212 B8R1.1 C[C@@H]1CC[C@H](CO)N1 Q59341 [1,0,0,1,0,0|1,0,1]=4 213 B8R1.1 C[C@@H]1CN[C@H](CO)C1 Q64749 [1,0,0,1,0,0|1,0,1]=4 214 B8R1.1 C[C@H]1C[C@@H](CO)CN1 Q61880 [1,0,0,1,0,0|1,0,1]=4 215 B8R1.1 C[C@H]1C[C@H](CO)CN1 Q61879 [1,0,0,1,0,0|1,0,1]=4 216 B8R1.1 NCC1CCC(F)C1 Q52913 [1,0,0,1,0,0|2,0,0]=4 217 B8R1.1 NC[C@@H]1CC[C@@H](F)C1 Q52915 [1,0,0,1,0,0|2,0,0]=4 218 B8R1.1 NC[C@@H]1CC[C@@H](O)C1 Q57119 [1,0,0,1,0,0|2,0,0]=4 219 B8R1.1 NC[C@@H]1CC[C@H](O)C1 Q57118 [1,0,0,1,0,0|2,0,0]=4 220 B8R1.1 NC[C@H]1CC[C@@H](F)C1 Q52914 [1,0,0,1,0,0|2,0,0]=4 221 B8R1.1 NC[C@H]1CC[C@@H](O)C1 Q57121 [1,0,0,1,0,0|2,0,0]=4 222 B8R1.1 NC[C@H]1CC[C@H](O)C1 Q57120 [1,0,0,1,0,0|2,0,0]=4 223 B8R1.1 O=CC1CCC(O)C1 Q56985 [1,0,0,1,0,0|1,0,0]=3 224 B8R1.1 OCC1CCC(F)C1 Q52910 [1,0,0,1,0,0|1,0,1]=4 225 B8R1.1 OC[C@@H]1CC[C@@H](F)C1 Q52912 [1,0,0,1,0,0|1,0,1]=4 226 B8R1.1 OC[C@H]1CC[C@@H](F)C1 Q52911 [1,0,0,1,0,0|1,0,1]=4 227 B8R1.4 C=C1CCOC(C)C1 Q54980 [1,0,0,1,0,0|1,0,1]=4 228 B8R1.4 CC1=CCCC(=O)C1 O32064 [1,0,0,1,0,0|0,0,2]=4 229 B8R1.4 CC1CC(=O)CCN1 D-2514 [1,0,0,1,0,0|1,0,0]=3 230 B8R1.4 CC1CC(=O)CCO1 A-836 [1,0,0,1,0,0|1,0,0]=3 231 B8R1.4 CC1CC(Br)CCO1 Q57805 [1,0,0,1,0,0|2,0,0]=4 232 B8R1.4 CC1CC(N)CCO1 A-878 [1,0,0,1,0,0|2,0,0]=4 233 B8R1.4 CC1CC(O)CCN1 G-7300 [1,0,0,1,0,0|1,0,1]=4 234 B8R1.4 CC1CC(O)CCN1 L21311 [1,0,0,1,0,0|1,0,1]=4 235 B8R1.4 CC1CC(O)CCO1 A-877 [1,0,0,1,0,0|1,0,1]=4 236 B8R1.4 CC1CCNC(=O)C1 L13355 [1,0,0,1,0,0|1,0,0]=3 237 B8R1.4 CC1CNCC(F)C1 Q54411 [1,0,0,1,0,0|2,0,0]=4 238 B8R1.4 CN1CCCC(N)C1 C-3293 [1,0,0,1,0,0|2,0,0]=4 239 B8R1.4 CN1CCCC(O)C1 C-3297 [1,0,0,1,0,0|1,0,1]=4 240 B8R1.4 CN1CCC[C@@H](N)C1 C-2766 [1,0,0,1,0,0|2,0,0]=4 241 B8R1.4 CN1CCC[C@@H](N)C1 I-9583 [1,0,0,1,0,0|2,0,0]=4 242 B8R1.4 CN1CCC[C@@H](O)C1 G-5242 [1,0,0,1,0,0|1,0,1]=4 243 B8R1.4 CN1CCC[C@H](N)C1 C-2767 [1,0,0,1,0,0|2,0,0]=4 244 B8R1.4 CN1CCC[C@H](N)C1 G-5241 [1,0,0,1,0,0|2,0,0]=4 245 B8R1.4 CN1CCC[C@H](O)C1 G-5243 [1,0,0,1,0,0|1,0,1]=4 246 B8R1.4 CN1CCOC(=O)C1 Q54674 [1,0,0,1,0,0|2,0,0]=4 247 B8R1.4 C[C@@H]1CC(=O)CCN1 G-7641 [1,0,0,1,0,0|1,0,0]=3 248 B8R1.4 C[C@@H]1CC(=O)CCO1 H-8404 [1,0,0,1,0,0|1,0,0]=3 249 B8R1.4 C[C@@H]1CCC[C@@H](C)N1 Q65231 [1,0,0,1,0,0|1,0,1]=4 250 B8R1.4 C[C@@H]1CCC[C@@H](C)N1 Q65232 [1,0,0,1,0,0|1,0,1]=4 251 B8R1.4 C[C@@H]1CCC[C@@H](N)C1 P49440 [1,0,0,1,0,0|1,0,0]=3 252 B8R1.4 C[C@@H]1CCC[C@@H](O)C1 P45249 [1,0,0,1,0,0|0,0,1]=3 253 B8R1.4 C[C@@H]1CCC[C@@H](O)C1 P45891 [1,0,0,1,0,0|0,0,1]=3 254 B8R1.4 C[C@@H]1CCC[C@H](N)C1 P45362 [1,0,0,1,0,0|1,0,0]=3 255 B8R1.4 C[C@@H]1CCC[C@H](N)C1 P49441 [1,0,0,1,0,0|1,0,0]=3 256 B8R1.4 C[C@@H]1CCC[C@H](O)C1 P45486 [1,0,0,1,0,0|0,0,1]=3 257 B8R1.4 C[C@@H]1CCC[C@H](O)C1 P45892 [1,0,0,1,0,0|0,0,1]=3 258 B8R1.4 C[C@@H]1CNCC(=O)N1 L13903 [1,0,0,1,0,0|2,0,0]=4 259 B8R1.4 C[C@@H]1C[C@H](F)CCN1 Q63705 [1,0,0,1,0,0|2,0,0]=4 260 B8R1.4 C[C@@H]1C[C@H](N)CCO1 Q61448 [1,0,0,1,0,0|2,0,0]=4 261 B8R1.4 C[C@@H]1C[C@H](O)CCN1 G-6431 [1,0,0,1,0,0|1,0,1]=4 262 B8R1.4 C[C@@H]1C[C@H](O)CCN1 Q56468 [1,0,0,1,0,0|1,0,1]=4 263 B8R1.4 C[C@H]1CC(=O)CCN1 G-6964 [1,0,0,1,0,0|1,0,0]=3 264 B8R1.4 C[C@H]1CC(=O)CCN1 G-7640 [1,0,0,1,0,0|1,0,0]=3 265 B8R1.4 C[C@H]1CC(=O)CCN1 Q61425 [1,0,0,1,0,0|1,0,0]=3 266 B8R1.4 C[C@H]1CC(=O)CCO1 A-837 [1,0,0,1,0,0|1,0,0]=3 267 B8R1.4 C[C@H]1CCC[C@@H](N)C1 P45360 [1,0,0,1,0,0|1,0,0]=3 268 B8R1.4 C[C@H]1CCC[C@@H](O)C1 P45893 [1,0,0,1,0,0|0,0,1]=3 269 B8R1.4 C[C@H]1CCC[C@H](C)N1 Q65229 [1,0,0,1,0,0|1,0,1]=4 270 B8R1.4 C[C@H]1CCC[C@H](C)N1 Q65230 [1,0,0,1,0,0|1,0,1]=4 271 B8R1.4 C[C@H]1CCC[C@H](N)C1 P45361 [1,0,0,1,0,0|1,0,0]=3 272 B8R1.4 C[C@H]1CCC[C@H](O)C1 P45546 [1,0,0,1,0,0|0,0,1]=3 273 B8R1.4 C[C@H]1CNCC(=O)N1 G-7098 [1,0,0,1,0,0|2,0,0]=4 274 B8R1.4 C[C@H]1CNCC(=O)N1 H-8010 [1,0,0,1,0,0|2,0,0]=4 275 B8R1.4 C[C@H]1C[C@@H](F)CCN1 Q63704 [1,0,0,1,0,0|2,0,0]=4 276 B8R1.4 C[C@H]1C[C@@H](O)CCN1 G-6430 [1,0,0,1,0,0|1,0,1]=4 277 B8R1.4 C[C@H]1C[C@@H](O)CCN1 Q56467 [1,0,0,1,0,0|1,0,1]=4 278 B8R1.4 NC1CCCC(=O)C1 P48005 [1,0,0,1,0,0|1,0,0]=3 279 B8R1.4 NC1CCCC(F)C1 P48941 [1,0,0,1,0,0|2,0,0]=4 280 B8R1.4 NC1CCCC(O)C1 F-4485 [1,0,0,1,0,0|1,0,1]=4 281 B8R1.4 NC1CCCC(O)C1 P51354 [1,0,0,1,0,0|1,0,1]=4 282 B8R1.4 NC1CCNC(=O)C1 C-2485 [1,0,0,1,0,0|2,0,0]=4 283 B8R1.4 NC1COCC(=O)C1 P46448 [1,0,0,1,0,0|2,0,0]=4 284 B8R1.4 NC1COCC(=O)C1 Q61511 [1,0,0,1,0,0|2,0,0]=4 285 B8R1.4 N[C@@H]1CCC[C@@H](N)C1 P45856 [1,0,0,1,0,0|2,0,0]=4 286 B8R1.4 N[C@@H]1CCC[C@@H](N)C1 P50869 [1,0,0,1,0,0|2,0,0]=4 287 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 L14375 [1,0,0,1,0,0|1,0,1]=4 288 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 P45284 [1,0,0,1,0,0|1,0,1]=4 289 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 P46977 [1,0,0,1,0,0|1,0,1]=4 290 B8R1.4 N[C@@H]1CCC[C@H](O)C1 P44060 [1,0,0,1,0,0|1,0,1]=4 291 B8R1.4 N[C@H]1CCC[C@@H](F)C1 P48942 [1,0,0,1,0,0|2,0,0]=4 292 B8R1.4 N[C@H]1CCC[C@@H](F)C1 P50330 [1,0,0,1,0,0|2,0,0]=4 293 B8R1.4 N[C@H]1CCC[C@@H](N)C1 L14628 [1,0,0,1,0,0|2,0,0]=4 294 B8R1.4 N[C@H]1CCC[C@@H](N)C1 P45859 [1,0,0,1,0,0|2,0,0]=4 295 B8R1.4 N[C@H]1CCC[C@@H](N)C1 P48039 [1,0,0,1,0,0|2,0,0]=4 296 B8R1.4 N[C@H]1CCC[C@@H](O)C1 K10840 [1,0,0,1,0,0|1,0,1]=4 297 B8R1.4 N[C@H]1CCC[C@@H](O)C1 P44061 [1,0,0,1,0,0|1,0,1]=4 298 B8R1.4 N[C@H]1CCC[C@@H](O)C1 P45304 [1,0,0,1,0,0|1,0,1]=4 299 B8R1.4 N[C@H]1CCC[C@H](F)C1 P46535 [1,0,0,1,0,0|2,0,0]=4 300 B8R1.4 N[C@H]1CCC[C@H](N)C1 L18352 [1,0,0,1,0,0|2,0,0]=4 301 B8R1.4 N[C@H]1CCC[C@H](O)C1 O33050 [1,0,0,1,0,0|1,0,1]=4 302 B8R1.4 N[C@H]1CCC[C@H](O)C1 P45649 [1,0,0,1,0,0|1,0,1]=4 303 B8R1.4 O=C1CC(F)CCN1 Q54422 [1,0,0,1,0,0|2,0,0]=4 304 B8R1.4 O=C1CCCC(=O)C1 P44675 [1,0,0,1,0,0|1,0,1]=4 305 B8R1.4 O=C1CCCC(Br)C1 P45384 [1,0,0,1,0,0|1,0,0]=3 306 B8R1.4 O=C1CCCC(F)C1 P43987 [1,0,0,1,0,0|1,0,0]=3 307 B8R1.4 O=C1CCCC(O)C1 L18346 [1,0,0,1,0,0|1,0,0]=3 308 B8R1.4 O=C1CCC[C@H](O)C1 P47405 [1,0,0,1,0,0|1,0,0]=3 309 B8R1.4 O=C1COCC(F)C1 Q54617 [1,0,0,1,0,0|2,0,0]=4 310 B8R1.4 O=C1COCC(O)C1 Q54616 [1,0,0,1,0,0|2,0,0]=4 311 B8R1.4 O=S1CCCC(Br)C1 Q57991 [1,0,0,1,0,0|2,0,0]=4 312 B8R1.6 C(=O)CC1CC(F)C1 P46567 [1,0,0,1,0,0|1,0,0]=3 313 B8R1.6 CC1CN(CCO)C1 P47859 [1,0,0,1,0,0|1,0,1]=4 314 B8R1.6 CN1CC(CCBr)C1 P47053 [1,0,0,1,0,0|2,0,0]=4 315 B8R1.6 CN1CC(CCN)C1 L21451 [1,0,0,1,0,0|2,0,0]=4 316 B8R1.6 CN1CC(CCO)C1 C-3301 [1,0,0,1,0,0|1,0,1]=4 317 B8R1.6 NCCC1CC(F)C1 L14517 [1,0,0,1,0,0|2,0,0]=4 318 B8R1.7 CC(C)C1CCNC1 O33444 [1,0,0,1,0,0|1,0,1]=4 319 B8R1.7 CC(C)C1CCNC1 Q61705 [1,0,0,1,0,0|1,0,1]=4 320 B8R1.7 CC(C)[C@@H]1CCCN1 L22352 [1,0,0,1,0,0|1,0,0]=3 321 B8R1.7 CC(C)[C@@H]1CCNC1 O33128 [1,0,0,1,0,0|1,0,1]=4 322 B8R1.7 CC(C)[C@@H]1CCNC1 Q61637 [1,0,0,1,0,0|1,0,1]=4 323 B8R1.7 CC(C)[C@H]1CCCN1 Q55562 [1,0,0,1,0,0|1,0,0]=3 324 B8R1.7 CC(C)[C@H]1CCNC1 L13956 [1,0,0,1,0,0|1,0,1]=4 325 B8R1.7 CC(C)[C@H]1CCNC1 Q61626 [1,0,0,1,0,0|1,0,1]=4 326 B8R1.7 CC(N)C1CCCC1 O30449 [1,0,0,1,0,0|1,0,1]=4 327 B8R1.7 CC(N)C1CCCC1 O33618 [1,0,0,1,0,0|1,0,1]=4 328 B8R1.7 C[C@H](N)C1CCCC1 Q59148 [1,0,0,1,0,0|1,0,1]=4 329 B8R1.7 C[C@H](O)C1CCCC1 Q59154 [1,0,0,1,0,0|1,0,1]=4 330 B8R1.19 CC1(C)CCCC1=O L21296 [1,0,0,1,0,0|0,0,0]=2 331 B8R1.19 CC1(C)CCCC1N Q62001 [1,0,0,1,0,0|1,0,0]=3 332 B8R1.19 CC1(C)CCCC1O L20761 [1,0,0,1,0,0|0,0,1]=3 333 B8R1.19 CC1(C)CCC[C@@H]1N Q63826 [1,0,0,1,0,0|1,0,0]=3 334 B8R1.19 CC1(C)CCC[C@@H]1O Q63828 [1,0,0,1,0,0|0,0,1]=3 335 B8R1.19 CC1(C)CCC[C@H]1N Q63827 [1,0,0,1,0,0|1,0,0]=3 336 B8R1.19 CC1(C)CCC[C@H]1O Q63829 [1,0,0,1,0,0|0,0,1]=3 337 B8R1.19 CC1(C)CCNC1=O O30964 [1,0,0,1,0,0|1,0,0]=3 338 B8R1.19 CC1(C)CNC[C@H]1O Q61634 [1,0,0,1,0,0|1,0,1]=4 339 B8R1.19 CC1(C)NCCC1O Q64208 [1,0,0,1,0,0|1,0,1]=4 340 B8R1.19 CC1(C)NCCC1O Q64209 [1,0,0,1,0,0|1,0,1]=4 341 B8R1.19 CC1(C)OCCC1=O Q63498 [1,0,0,1,0,0|1,0,0]=3 342 B8R1.19 CC1(F)CCCC1N Q54478 [1,0,0,1,0,0|2,0,0]=4 343 B8R1.27 CNCC1CC1(C)C P42339 [1,0,0,1,0,0|1,0,1]=4 344 B8R1.31 CC(C)C1OCC1N P50149 [1,0,0,1,0,0|2,0,0]=4 345 B8R1.31 CC(O)C1CCC1F P45994 [1,0,0,1,0,0|2,0,0]=4 346 B8R1.34 CC(C)CC1CNC1 P44917 [1,0,0,1,0,0|1,0,1]=4 347 B8R1.34 CC(C)NC1CCC1 P48786 [1,0,0,1,0,0|1,0,1]=4 348 B8R1.34 CC(C)NC1CCC1 P49134 [1,0,0,1,0,0|1,0,1]=4 349 B8R1.34 CN(C)C[C@@H]1CCN1 P46633 [1,0,0,1,0,0|2,0,0]=4 350 B8R1.34 CN(C)C[C@H]1CCN1 P46672 [1,0,0,1,0,0|2,0,0]=4 351 B8R1.48 CC1(C)CCC1CO P45354 [1,0,0,1,0,0|0,0,1]=3 352 B8R1.48 CC1(C)COC1CN L22314 [1,0,0,1,0,0|2,0,0]=4 353 B8R1.48 CC1(C)COC1CO Q62789 [1,0,0,1,0,0|1,0,1]=4 354 B8R1.48 CC1(C)OCC1CO Q52794 [1,0,0,1,0,0|1,0,1]=4 355 B8R1.72 CC1(C)CCCCN1 Q52541 [1,0,0,1,0,0|1,0,0]=3 356 B8R1.72 CC1(C)CCNCC1 C-3355 [1,0,0,1,0,0|1,0,1]=4 357 B8R1.72 CC1(C)CNCCN1 D-2719 [1,0,0,1,0,0|2,0,0]=4 358 B8R1.72 CC1(C)CNCCO1 H-8786 [1,0,0,1,0,0|1,0,1]=4 359 B8R1.72 CC1(C)CNCCO1 L14122 [1,0,0,1,0,0|1,0,1]=4 360 B8R1.72 CC1(C)COCCN1 H-8787 [1,0,0,1,0,0|2,0,0]=4 361 B8R1.72 CC1(C)COCCN1 O28306 [1,0,0,1,0,0|2,0,0]=4 362 B10R1.13 CC(C)[C@H]1CC[C@@H](N)CC1 P45915 [0,1,0,1,0,0|1,0,1]=4 363 B10R1.13 CC(C)[C@H]1CC[C@H](N)CC1 P45914 [0,1,0,1,0,0|1,0,1]=4 364 B10R1.54 CC(=O)O[C@@H]1CC[C@H](O)C1 Q62079 [0,1,0,1,0,0|2,0,0]=4 365 B10R1.54 CC(=O)O[C@H]1CC[C@@H](O)C1 Q56986 [0,1,0,1,0,0|2,0,0]=4 366 B10R1.54 CC(C)C[C@@H]1COC(=O)N1 Q70109 [0,1,0,1,0,0|1,0,0]=3 367 B10R1.54 CC1CCN(CC(=O)O)C1 Q59408 [0,1,0,1,0,0|1,0,0]=3 368 B10R1.54 CN1CCC(CC(=O)O)C1 O28286 [0,1,0,1,0,0|1,0,0]=3 369 B10R1.54 CN1CCC(CC(=O)O)C1 Q60498 [0,1,0,1,0,0|1,0,0]=3 370 B10R1.54 O=C(O)CN1CCC(O)C1 P39294 [0,1,0,1,0,0|2,0,0]=4 371 B10R1.54 O=C(O)C[C@@H]1CC[C@@H](O)C1 Q57018 [0,1,0,1,0,0|1,0,0]=3 372 B10R1.54 O=C(O)C[C@@H]1CC[C@H](O)C1 Q57015 [0,1,0,1,0,0|1,0,0]=3 373 B10R1.127 CC(C)CCNC1CSC1 Q58966 [0,1,0,1,0,0|2,0,0]=4 374 B10R1.171 CC1(C)CC(C=O)CCO1 O33440 [0,1,0,1,0,0|1,0,0]=3 375 B10R1.171 CC1(C)CCCC(CN)C1 O29794 [0,1,0,1,0,0|1,0,1]=4 376 B10R1.171 CC1(C)CCCC(CO)C1 Q59489 [0,1,0,1,0,0|0,0,2]=4 377 B10R1.194 CC(C)N1CC[C@H](N)C1=O Q62093 [0,1,0,1,0,0|1,0,0]=3 378 B10R1.10 CC1CC(CCN)CCO1 Q57809 [0,1,0,1,0,0|1,0,1]=4 379 B10R1.18 CC(C)CC1CCCNC1 Q59857 [0,1,0,1,0,0|1,0,1]=4 380 B10R1.18 CC(C)CC1CCNCC1 Q59854 [0,1,0,1,0,0|1,0,1]=4 381 B10R1.18 CC(C)C[C@@H]1COCCN1 B-1251 [0,1,0,1,0,0|1,0,1]=4 382 B10R1.18 CC(C)C[C@H]1COCCN1 B-1250 [0,1,0,1,0,0|1,0,1]=4 383 B10R1.38 CC1(C)COCCC1CBr Q61471 [0,1,0,1,0,0|1,0,1]=4 384 B10R1.38 CC1(C)COCCC1CN Q61470 [0,1,0,1,0,0|1,0,1]=4 385 B10R1.38 CC1(C)COCCC1CO Q61469 [0,1,0,1,0,0|0,0,2]=4 386 B10R1.38 CC1(C)OCCCC1C=O Q60281 [0,1,0,1,0,0|0,0,0]=2 387 B10R1.38 COC1CCNCC1(C)C G-7698 [0,1,0,1,0,0|2,0,0]=4 388 B10R1.38 CO[C@@H]1CCNCC1(C)C Q64566 [0,1,0,1,0,0|2,0,0]=4 389 B10R1.38 CO[C@H]1CCNCC1(C)C Q64565 [0,1,0,1,0,0|2,0,0]=4 390 B10R1.38 O=CC1CCCCC1(F)F P47903 [0,1,0,1,0,0|2,0,0]=4 391 B10R1.39 CC(C)N1CCCC1CO P38581 [0,1,0,1,0,0|0,0,2]=4 392 B10R1.39 CC(C)N1CCC[C@@H]1CO P35170 [0,1,0,1,0,0|0,0,2]=4 393 B10R1.39 CC(C)N1CCC[C@H]1CO P43109 [0,1,0,1,0,0|0,0,2]=4 394 B10R1.61 CC(=O)C1CCCCC1=O P44674 [0,1,0,1,0,0|1,0,1]=4 395 B10R1.61 CC(C)C1CCCCC1N Q59494 [0,1,0,1,0,0|1,0,1]=4 396 B10R1.61 CN(C)C1CCCCC1=O Q59742 [0,1,0,1,0,0|1,0,0]=3 397 B10R1.64 CC(C)C[C@@H]1CNC[C@H]1O Q62156 [0,1,0,1,0,0|0,0,2]=4 398 B10R1.66 CC(C)COC1CCNC1 Q59196 [0,1,0,1,0,0|2,0,0]=4 399 B10R1.300 O=C1NCCCCC1(Br)Br P50986 [0,1,0,1,0,0|2,0,0]=4 400 B10R1.8 C(=O)C1C[C@H](C)O[C@H](C)C1 Q64373 [0,1,0,1,0,0|1,0,0]=3 401 B10R1.8 CC1CC(C)CC(C#N)C1 Q59585 [0,1,0,1,0,0|1,0,1]=4 402 B10R1.8 CC1CC(C)CC(CO)C1 P45319 [0,1,0,1,0,0|0,0,2]=4 403 B10R1.8 CC1CC(C=O)CC(C)O1 Q60447 [0,1,0,1,0,0|1,0,0]=3 404 B10R1.120 CN1CCC(N)CC1(C)C Q53122 [0,1,0,1,0,0|2,0,0]=4 405 B10R1.28 CC(C)(C)C1CCCCN1 Q60039 [0,1,0,1,0,0|1,0,1]=4 406 B10R1.28 CC(C)(N)C1CCCCC1 Q59747 [0,1,0,1,0,0|1,0,1]=4 407 B10R1.28 CC(C)(N)C1CCCCC1 Q59748 [0,1,0,1,0,0|1,0,1]=4 408 B10R1.28 CC(C)(O)C1CCCCC1 L21477 [0,1,0,1,0,0|1,0,1]=4 409 B10R1.28 CC(C)(O)C1CCCNC1 Q66256 [0,1,0,1,0,0|2,0,0]=4 410 B10R1.65 O=C1CCCC1C(F)(F)F O34099 [0,1,0,1,0,0|2,0,0]=4 411 B10R1.1 CN1CCN(CC=O)CC1 M22840 [0,1,0,1,0,0|2,0,0]=4 412 B10R1.15 CC(CN)C1CCCCC1 Q59743 [0,1,0,1,0,0|1,0,1]=4 413 B10R1.15 CNC(C)C1CCCCC1 O32069 [0,1,0,1,0,0|1,0,1]=4 414 B10R1.149 CC(CN)C1CCCN1C L14412 [0,1,0,1,0,0|2,0,0]=4 415 B10R1.172 CCC1CC(C=O)CCO1 Q57705 [0,1,0,1,0,0|1,0,0]=3 416 B10R1.172 COC1CCCC(CO)C1 P35681 [0,1,0,1,0,0|0,0,2]=4 417 B10R1.172 NC[C@H]1CCC[C@@H](CN)C1 P49932 [0,1,0,1,0,0|1,0,1]=4 418 B10R1.172 OC[C@H]1CCC[C@@H](CO)C1 P45545 [0,1,0,1,0,0|0,0,2]=4 419 B10R1.230 CC1(CN)CCCCC1O Q59531 [0,1,0,1,0,0|0,0,2]=4 420 B10R1.113 CC(=O)N1CCCC(I)C1 Q61025 [0,1,0,1,0,0|2,0,0]=4 421 B10R1.113 CC(C)C1CC(N)CCO1 Q57682 [0,1,0,1,0,0|0,0,2]=4 422 B10R1.113 CC(C)C1CC(O)CCO1 Q57711 [0,1,0,1,0,0|0,0,2]=4 423 B10R1.113 CC1CC(C(=O)O)CCN1 Q55487 [0,1,0,1,0,0|1,0,0]=3 424 B10R1.113 CC1CC(C(=O)O)CCO1 Q61449 [0,1,0,1,0,0|1,0,0]=3 425 B10R1.113 CC1CCCC(C(C)N)C1 Q59520 [0,1,0,1,0,0|1,0,1]=4 426 B10R1.113 CC1CCNC(C(=O)O)C1 Q61262 [0,1,0,1,0,0|1,0,0]=3 427 B10R1.113 CC1CCNC(C(=O)O)C1 Q61263 [0,1,0,1,0,0|1,0,0]=3 428 B10R1.113 CN1CCCC(C(=O)O)C1 L13505 [0,1,0,1,0,0|1,0,0]=3 429 B10R1.113 CN1CCC[C@@H](C(=O)O)C1 L14828 [0,1,0,1,0,0|1,0,0]=3 430 B10R1.113 CN1CCC[C@H](C(=O)O)C1 L14829 [0,1,0,1,0,0|1,0,0]=3 431 B10R1.113 CN1CCOC(C(=O)O)C1 P35866 [0,1,0,1,0,0|2,0,0]=4 432 B10R1.113 C[C@@H]1CCC[C@H](C(=O)O)C1 P46944 [0,1,0,1,0,0|0,0,0]=2 433 B10R1.113 C[C@@H]1CCN[C@H](C(=O)O)C1 Q61267 [0,1,0,1,0,0|1,0,0]=3 434 B10R1.113 C[C@@H]1CNC[C@@H](C(=O)O)C1 Q52365 [0,1,0,1,0,0|1,0,0]=3 435 B10R1.113 C[C@@H]1CNC[C@H](C(=O)O)C1 Q52364 [0,1,0,1,0,0|1,0,0]=3 436 B10R1.113 C[C@H]1CCN[C@@H](C(=O)O)C1 Q61264 [0,1,0,1,0,0|1,0,0]=3 437 B10R1.113 C[C@H]1CCN[C@@H](C(=O)O)C1 Q61266 [0,1,0,1,0,0|1,0,0]=3 438 B10R1.113 C[C@H]1CCN[C@H](C(=O)O)C1 Q61265 [0,1,0,1,0,0|1,0,0]=3 439 B10R1.113 C[C@H]1CCOC(C(=O)O)C1 Q57859 [0,1,0,1,0,0|1,0,0]=3 440 B10R1.113 C[C@H]1CCO[C@H](C(=O)O)C1 Q57865 [0,1,0,1,0,0|1,0,0]=3 441 B10R1.113 C[C@H]1CNC[C@@H](C(=O)O)C1 Q52367 [0,1,0,1,0,0|1,0,0]=3 442 B10R1.113 C[C@H]1CNC[C@H](C(=O)O)C1 Q52366 [0,1,0,1,0,0|1,0,0]=3 443 B10R1.113 NC(=O)N1CCCC(N)C1 Q57574 [0,1,0,1,0,0|2,0,0]=4 444 B10R1.113 NC(=O)N1CCCC(N)C1 Q59863 [0,1,0,1,0,0|2,0,0]=4 445 B10R1.113 NC1CCCC(C(=O)O)C1 P44660 [0,1,0,1,0,0|1,0,0]=3 446 B10R1.113 NC1COCC(C(=O)O)C1 Q61512 [0,1,0,1,0,0|2,0,0]=4 447 B10R1.113 N[C@@H]1CCC[C@@H](C(=O)O)C1 10035 [0,1,0,1,0,0|1,0,0]=3 448 B10R1.113 N[C@@H]1CCC[C@@H](C(=O)O)C1 I-9369 [0,1,0,1,0,0|1,0,0]=3 449 B10R1.113 N[C@@H]1CCC[C@@H](C(=O)O)C1 P44816 [0,1,0,1,0,0|1,0,0]=3 450 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 L13283 [0,1,0,1,0,0|1,0,0]=3 451 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 P44485 [0,1,0,1,0,0|1,0,0]=3 452 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 10033 [0,1,0,1,0,0|1,0,0]=3 453 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 I-9281 [0,1,0,1,0,0|1,0,0]=3 454 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 I-9805 [0,1,0,1,0,0|1,0,0]=3 455 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 P44486 [0,1,0,1,0,0|1,0,0]=3 456 B10R1.113 N[C@H]1CCC[C@H](C(=O)O)C1 I-9245 [0,1,0,1,0,0|1,0,0]=3 457 B10R1.113 N[C@H]1CCC[C@H](C(=O)O)C1 P44237 [0,1,0,1,0,0|1,0,0]=3 458 B10R1.113 O=C(O)C1CC(F)CCN1 Q54386 [0,1,0,1,0,0|2,0,0]=4 459 B10R1.113 O=C(O)C1CC(F)CCO1 Q64671 [0,1,0,1,0,0|2,0,0]=4 460 B10R1.113 O=C(O)C1CNCC(F)C1 Q61298 [0,1,0,1,0,0|2,0,0]=4 461 B10R1.113 O=C(O)C1COCC(O)C1 Q54620 [0,1,0,1,0,0|2,0,0]=4 462 B10R1.113 O=C(O)[C@@H]1CCC[C@@H](O)C1 P46948 [0,1,0,1,0,0|1,0,0]=3 463 B10R1.113 O=C(O)[C@@H]1CCC[C@H](O)C1 O33392 [0,1,0,1,0,0|1,0,0]=3 464 B10R1.113 O=C(O)[C@@H]1CNC[C@H](F)C1 Q61299 [0,1,0,1,0,0|2,0,0]=4 465 B10R1.113 O=C(O)[C@@H]1CNC[C@H](F)C1 Q61300 [0,1,0,1,0,0|2,0,0]=4 466 B10R1.113 O=C(O)[C@H]1CCC[C@@H](O)C1 O33391 [0,1,0,1,0,0|1,0,0]=3 467 B10R1.113 O=C(O)[C@H]1CCC[C@H](O)C1 P49269 [0,1,0,1,0,0|1,0,0]=3 468 B10R1.113 O=C(O)[C@H]1CNC[C@@H](F)C1 Q61301 [0,1,0,1,0,0|2,0,0]=4 469 B10R1.113 O=C(O)[C@H]1C[C@H](O)CCN1 Q65170 [0,1,0,1,0,0|2,0,0]=4 470 B10R1.113 O=C1CCCC(C(=O)O)C1 P47766 [0,1,0,1,0,0|1,0,1]=4 471 B10R1.113 O=C1CCC[C@@H](C(=O)O)C1 P46177 [0,1,0,1,0,0|1,0,1]=4 472 B10R1.113 O=C1CCC[C@H](C(=O)O)C1 P46176 [0,1,0,1,0,0|1,0,1]=4 473 B10R1.114 CC1(C)C(=O)CCCC1=O I-9210 [0,1,0,1,0,0|0,0,1]=3 474 B10R1.30 CN1CCC(=O)C(C=O)C1 Q62604 [0,1,0,1,0,0|1,0,1]=4 475 B10R1.59 CC(C)N1CC(N)CC1=O S72834 [0,1,0,1,0,0|1,0,0]=3 476 B10R1.63 CC1(C)COC(=O)CC1=O H-8799 [0,1,0,1,0,0|1,0,1]=4 477 B10R1.82 CC1CC(CCC(=O)O)C1 P48844 [0,1,0,1,0,0|0,0,0]=2 478 B10R1.82 O=C(O)CCC1CC(=O)C1 L18052 [0,1,0,1,0,0|1,0,1]=4 479 B10R1.128 CC1(C)CCCC1C(=O)O Q63830 [0,1,0,1,0,0|0,0,0]=2 480 B10R1.128 CC1(C)CCNC1C(=O)O O33573 [0,1,0,1,0,0|1,0,0]=3 481 B10R1.128 CC1(C)CCNC1C(=O)O Q62145 [0,1,0,1,0,0|1,0,0]=3 482 B10R1.128 CC1(C)CCN[C@@H]1C(=O)O O33018 [0,1,0,1,0,0|1,0,0]=3 483 B10R1.128 CC1(C)CNCC1C(=O)O L18283 [0,1,0,1,0,0|1,0,0]=3 484 B10R1.128 CC1(C)CNCC1C(=O)O Q61989 [0,1,0,1,0,0|1,0,0]=3 485 B10R1.128 CC1(C)CNC[C@@H]1C(=O)O Q61993 [0,1,0,1,0,0|1,0,0]=3 486 B10R1.128 CC1(C)CNC[C@H]1C(=O)O Q61990 [0,1,0,1,0,0|1,0,0]=3 487 B10R1.128 CC1(C)SCNC1C(=O)O P41013 [0,1,0,1,0,0|2,0,0]=4 488 B10R1.128 CC1(C)SCN[C@@H]1C(=O)O P36398 [0,1,0,1,0,0|2,0,0]=4 489 B10R1.128 CC1(C)SCN[C@H]1C(=O)O P39526 [0,1,0,1,0,0|2,0,0]=4 490 B10R1.128 O=C(O)C1CCCC1(F)F L19944 [0,1,0,1,0,0|2,0,0]=4 491 B10R1.128 O=C(O)[C@@H]1CCCC1(F)F Q63432 [0,1,0,1,0,0|2,0,0]=4 492 B10R1.128 O=C(O)[C@H]1CCCC1(F)F Q63433 [0,1,0,1,0,0|2,0,0]=4 493 B10R1.351 CC(=O)NC1CSC1(C)C Q59000 [0,1,0,1,0,0|2,0,0]=4 494 B10R1.361 CC(C)N1CC[C@H]1C(=O)O L14216 [0,1,0,1,0,0|1,0,0]=3 495 B10R1.361 O=C(O)C1CCC1C(F)F P48307 [0,1,0,1,0,0|2,0,0]=4 496 B10R2.61 O=C1CC2CCCC1N2 P46614 [0,0,0,2,0,0|1,0,0]=3 497 B10R2.61 O=C1CC2CCCC1N2 P50750 [0,0,0,2,0,0|1,0,0]=3 498 B10R2.61 O=C1CN2CCCC1C2 P45592 [0,0,0,2,0,0|1,0,0]=3 499 B10R2.61 O=C1NC2CCCC1C2 K16106 [0,0,0,2,0,0|1,0,0]=3 500 B10R2.71 C=C1CC2CCC(C1)N2 L18789 [0,0,0,2,0,0|2,0,0]=4 501 B10R2.71 NC1CC2CCC(C1)C2 F-4591 [0,0,0,2,0,0|1,0,1]=4 502 B10R2.71 NC1CC2CCC(C1)C2 G-6985 [0,0,0,2,0,0|1,0,1]=4 503 B10R2.71 O=C1CC2CCC(C1)C2 G-7015 [0,0,0,2,0,0|0,0,0]=2 504 B10R2.71 O=C1CC2CCC(C1)N2 C-3492 [0,0,0,2,0,0|1,0,0]=3 505 B10R2.71 O=C1CC2CCC(C1)O2 G-6882 [0,0,0,2,0,0|1,0,0]=3 506 B10R2.71 O=C1CC2CNC(C1)C2 P48499 [0,0,0,2,0,0|1,0,0]=3 507 B10R2.99 CNC1CC2CCC1C2 P45622 [0,0,0,2,0,0|2,0,0]=4 508 B10R2.99 N#CC1CC2CCC1C2 P45938 [0,0,0,2,0,0|1,0,1]=4 509 B10R2.99 NCC1CC2CCC1C2 P48160 [0,0,0,2,0,0|1,0,1]=4 510 B10R2.99 NNC1CC2CCC1C2 P48192 [0,0,0,2,0,0|2,0,0]=4 511 B10R2.99 O=CC1CC2CCC1C2 P46547 [0,0,0,2,0,0|0,0,0]=2 512 B10R2.99 OCC1CC2CCC1C2 P45516 [0,0,0,2,0,0|0,0,2]=4 513 B10R2.109 O=CC1CCC2CC2C1 Q57298 [0,0,0,2,0,0|0,0,0]=2 514 B10R2.319 CN1CC2CC(C1)C2=O P48527 [0,0,0,2,0,0|1,0,0]=3 515 B10R2.319 CN1CC2CC(C1)C2=O P49225 [0,0,0,2,0,0|1,0,0]=3 516 B10R2.408 C1CC2CNCC(C1)C2 P43920 [0,0,0,2,0,0|1,0,1]=4 517 B10R2.15 NC1CCCCC12CC2 Q54132 [0,0,0,2,0,0|1,0,1]=4 518 B10R2.15 O=C1CCNCC12CC2 P47247 [0,0,0,2,0,0|1,0,0]=3 519 B10R2.15 O=C1CCOCC12CC2 Q55810 [0,0,0,2,0,0|1,0,0]=3 520 B10R2.15 O=C1CNCCC12CC2 L18144 [0,0,0,2,0,0|1,0,0]=3 521 B10R2.15 O=C1NCCCC12CC2 Q61092 [0,0,0,2,0,0|1,0,0]=3 522 B10R2.15 O=C1NCCNC12CC2 Q61091 [0,0,0,2,0,0|2,0,0]=4 523 B10R2.15 O=C1NCCOC12CC2 P50745 [0,0,0,2,0,0|2,0,0]=4 524 B10R2.177 CC12CC(=O)CCC1C2 Q57147 [0,0,0,2,0,0|0,0,0]=2