0 B6R0.6 BrCCNCCBr M15186 [0,0,0,0,0,0|2,0,0]=2 1 B6R0.6 C#CCCCCI P39398 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.6 C#CCCCCN O31570 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.6 C#CCNCC#C P36576 [0,0,0,0,0,0|2,0,2]=4 4 B6R0.6 C#CCOCCN P42183 [0,0,0,0,0,0|2,0,1]=3 5 B6R0.6 CNCCCCN L19491 [0,0,0,0,0,0|3,0,0]=3 6 B6R0.6 COCCCCN O29739 [0,0,0,0,0,0|3,0,0]=3 7 B6R0.6 NCCOCCN P39125 [0,0,0,0,0,0|1,0,0]=1 8 B6R0.6 OCCOCCBr P37296 [0,0,0,0,0,0|3,0,0]=3 9 B6R0.6 OCCOCCI P41754 [0,0,0,0,0,0|3,0,0]=3 10 B6R0.6 [N-]=[N+]=NCCCN M23188 [0,0,0,0,0,0|3,0,1]=4 11 B5R0.2 C#CCCCI P39399 [1,0,0,0,0,0|2,0,1]=4 12 B5R0.2 C#CCCCO P37563 [1,0,0,0,0,0|2,0,1]=4 13 B5R0.2 C#CCNCC P37598 [1,0,0,0,0,0|1,0,1]=3 14 B5R0.2 C#CCOCC O29883 [1,0,0,0,0,0|2,0,1]=4 15 B5R0.2 CCNCCCl L21040 [1,0,0,0,0,0|1,0,0]=2 16 B5R0.2 CSCCCN P39434 [1,0,0,0,0,0|2,0,0]=3 17 B5R0.2 NCC#CCN L19650 [1,0,0,0,0,0|0,0,2]=3 18 B5R0.2 NCC#CCO L20035 [1,0,0,0,0,0|1,0,2]=4 19 B5R0.2 NCCCCS L19142 [1,0,0,0,0,0|1,0,0]=2 20 B5R0.2 [N-]=[N+]=NCCN P42423 [1,0,0,0,0,0|1,0,2]=4 21 B7R0.1 BrCCSSCCBr Q69404 [0,1,0,0,0,0|3,0,0]=4 22 B7R0.1 C#CCCCCCI Q66056 [0,1,0,0,0,0|3,0,0]=4 23 B7R0.1 C#CCNCCCN P36031 [0,1,0,0,0,0|1,0,1]=3 24 B7R0.1 CCCCNCC#N P38905 [0,1,0,0,0,0|1,0,2]=4 25 B7R0.1 CCCCOCCN P36925 [0,1,0,0,0,0|2,0,0]=3 26 B7R0.1 COCCOCCN P38878 [0,1,0,0,0,0|2,0,0]=3 27 B7R0.1 NCCCOCCO P34738 [0,1,0,0,0,0|2,0,0]=3 28 B7R0.1 O=CCCCCCCl O30105 [0,1,0,0,0,0|3,0,0]=4 29 B7R0.1 [N-]=[N+]=NCCCCN P41887 [0,1,0,0,0,0|2,0,1]=4 30 B7R0.3 CCCC[C@@H](N)CO P35979 [0,1,0,0,0,0|3,0,0]=4 31 B7R0.3 CCCC[C@H](N)CO P35978 [0,1,0,0,0,0|3,0,0]=4 32 B7R0.3 CCCNC(=O)CN P36648 [0,1,0,0,0,0|1,0,1]=3 33 B7R0.3 CCOCC(O)CN L19068 [0,1,0,0,0,0|3,0,0]=4 34 B7R0.4 CC(C)CNCC#N M22778 [0,1,0,0,0,0|1,0,2]=4 35 B7R0.4 NCCNCC(=O)O O28634 [0,1,0,0,0,0|1,0,1]=3 36 B7R0.4 NCCOCC(=O)O P35961 [0,1,0,0,0,0|2,0,1]=4 37 B7R0.7 CCCN(C)CCO Q66069 [0,1,0,0,0,0|2,0,0]=3 38 B7R0.7 CCNC(=O)CCN P36830 [0,1,0,0,0,0|3,0,0]=4 39 B7R1.1 C#CC1CCCN1 L14925 [0,0,0,1,0,0|2,0,1]=4 40 B7R1.1 C#CC1CCCN1 Q55558 [0,0,0,1,0,0|2,0,1]=4 41 B7R1.1 C#C[C@@H]1CCCN1 Q55560 [0,0,0,1,0,0|2,0,1]=4 42 B7R1.1 C#C[C@H]1CCCN1 Q55559 [0,0,0,1,0,0|2,0,1]=4 43 B7R1.1 FCC1CCCN1 Q52409 [0,0,0,1,0,0|2,0,0]=3 44 B7R1.1 FC[C@@H]1CCCN1 G-5688 [0,0,0,1,0,0|2,0,0]=3 45 B7R1.1 FC[C@@H]1CCCN1 Q61799 [0,0,0,1,0,0|2,0,0]=3 46 B7R1.1 FC[C@H]1CCCN1 I-9901 [0,0,0,1,0,0|2,0,0]=3 47 B7R1.1 FC[C@H]1CCCN1 Q51944 [0,0,0,1,0,0|2,0,0]=3 48 B7R1.1 ICC1CCCC1 P39098 [0,0,0,1,0,0|3,0,0]=4 49 B7R1.1 N#CC1CCCN1 G-6826 [0,0,0,1,0,0|1,0,2]=4 50 B7R1.1 N#CC1CCCN1 Q51936 [0,0,0,1,0,0|1,0,2]=4 51 B7R1.1 N#C[C@@H]1CCCN1 A-367 [0,0,0,1,0,0|1,0,2]=4 52 B7R1.1 N#C[C@@H]1CCCN1 G-5682 [0,0,0,1,0,0|1,0,2]=4 53 B7R1.1 N#C[C@H]1CCCN1 G-5683 [0,0,0,1,0,0|1,0,2]=4 54 B7R1.1 N#C[C@H]1CCCN1 O28475 [0,0,0,1,0,0|1,0,2]=4 55 B7R1.1 NCC1CCCC1 F-4714 [0,0,0,1,0,0|2,0,0]=3 56 B7R1.1 NCC1CCCC1 L14012 [0,0,0,1,0,0|2,0,0]=3 57 B7R1.1 NCC1CCCN1 P37060 [0,0,0,1,0,0|1,0,0]=2 58 B7R1.1 NCC1CCOC1 C-3659 [0,0,0,1,0,0|3,0,0]=4 59 B7R1.1 NCC1CCOC1 G-6767 [0,0,0,1,0,0|3,0,0]=4 60 B7R1.1 NC[C@@H]1CCCN1 G-5891 [0,0,0,1,0,0|1,0,0]=2 61 B7R1.1 NC[C@@H]1CCOC1 C-2790 [0,0,0,1,0,0|3,0,0]=4 62 B7R1.1 NC[C@@H]1CCOC1 G-5015 [0,0,0,1,0,0|3,0,0]=4 63 B7R1.1 NC[C@H]1CCCN1 P42386 [0,0,0,1,0,0|1,0,0]=2 64 B7R1.1 NC[C@H]1CCNC1 Q55433 [0,0,0,1,0,0|3,0,0]=4 65 B7R1.1 NC[C@H]1CCOC1 C-2789 [0,0,0,1,0,0|3,0,0]=4 66 B7R1.1 NC[C@H]1CCOC1 G-5014 [0,0,0,1,0,0|3,0,0]=4 67 B7R1.1 NNC1CCCC1 O31761 [0,0,0,1,0,0|3,0,0]=4 68 B7R1.1 OCC1OCCO1 O33317 [0,0,0,1,0,0|3,0,0]=4 69 B7R1.1 OC[C@@H]1CCCO1 O32723 [0,0,0,1,0,0|3,0,0]=4 70 B7R1.3 BrC1=CCCNC1 Q65300 [0,0,0,1,0,0|2,0,1]=4 71 B7R1.3 BrC1CCCNC1 H-8368 [0,0,0,1,0,0|2,0,0]=3 72 B7R1.3 BrC1CCCOC1 O33555 [0,0,0,1,0,0|3,0,0]=4 73 B7R1.3 C=C1CCCNC1 Q59836 [0,0,0,1,0,0|2,0,1]=4 74 B7R1.3 CC1=CCCNC1 I-9121 [0,0,0,1,0,0|2,0,1]=4 75 B7R1.3 CC1CNCCO1 B-1061 [0,0,0,1,0,0|2,0,0]=3 76 B7R1.3 CC1CNCCO1 B-1061-1 [0,0,0,1,0,0|2,0,0]=3 77 B7R1.3 CC1COCCN1 B-1060 [0,0,0,1,0,0|2,0,0]=3 78 B7R1.3 CC1COCCN1 O28936 [0,0,0,1,0,0|2,0,0]=3 79 B7R1.3 C[C@@H]1CCCCN1 P40572 [0,0,0,1,0,0|2,0,0]=3 80 B7R1.3 C[C@@H]1CCCNC1 Q55825 [0,0,0,1,0,0|2,0,0]=3 81 B7R1.3 C[C@@H]1CNCCO1 B-1063 [0,0,0,1,0,0|2,0,0]=3 82 B7R1.3 C[C@@H]1CNCCO1 B-1063-1 [0,0,0,1,0,0|2,0,0]=3 83 B7R1.3 C[C@@H]1COCCN1 B-1058 [0,0,0,1,0,0|2,0,0]=3 84 B7R1.3 C[C@@H]1COCCN1 P34848 [0,0,0,1,0,0|2,0,0]=3 85 B7R1.3 C[C@H]1CCCCN1 P38855 [0,0,0,1,0,0|2,0,0]=3 86 B7R1.3 C[C@H]1CCCCN1 Q54716 [0,0,0,1,0,0|2,0,0]=3 87 B7R1.3 C[C@H]1CCCNC1 Q55824 [0,0,0,1,0,0|2,0,0]=3 88 B7R1.3 C[C@H]1CNCCO1 B-1062 [0,0,0,1,0,0|2,0,0]=3 89 B7R1.3 C[C@H]1CNCCO1 B-1062-1 [0,0,0,1,0,0|2,0,0]=3 90 B7R1.3 C[C@H]1COCCN1 B-1059 [0,0,0,1,0,0|2,0,0]=3 91 B7R1.3 C[C@H]1COCCN1 P42980 [0,0,0,1,0,0|2,0,0]=3 92 B7R1.3 ClC1CCCOC1 Q57646 [0,0,0,1,0,0|3,0,0]=4 93 B7R1.3 FC1CCCNC1 C-2254 [0,0,0,1,0,0|2,0,0]=3 94 B7R1.3 F[C@@H]1CCCNC1 G-5231 [0,0,0,1,0,0|2,0,0]=3 95 B7R1.3 F[C@H]1CCCNC1 C-2765 [0,0,0,1,0,0|2,0,0]=3 96 B7R1.3 NC1=NCCCN1 M15172 [0,0,0,1,0,0|2,0,1]=4 97 B7R1.3 NC1CCCOC1 I-9177 [0,0,0,1,0,0|2,0,0]=3 98 B7R1.3 NC1CCCOC1 Q56350 [0,0,0,1,0,0|2,0,0]=3 99 B7R1.3 NC1CCOCC1 B-1768 [0,0,0,1,0,0|3,0,0]=4 100 B7R1.3 NC1CCOCC1 G-5110 [0,0,0,1,0,0|3,0,0]=4 101 B7R1.3 NC1CCSCC1 O33298 [0,0,0,1,0,0|3,0,0]=4 102 B7R1.3 N[C@@H]1CCCNC1 I-9160 [0,0,0,1,0,0|1,0,0]=2 103 B7R1.3 N[C@@H]1CCCOC1 I-9746 [0,0,0,1,0,0|2,0,0]=3 104 B7R1.3 O=C1CCCNC1 A-184 [0,0,0,1,0,0|2,0,1]=4 105 B7R1.3 O=C1CNCCO1 O28295 [0,0,0,1,0,0|2,0,1]=4 106 B7R1.3 O=C1COCCN1 B-1038 [0,0,0,1,0,0|2,0,1]=4 107 B7R1.3 OC1CCCOC1 G-6220 [0,0,0,1,0,0|3,0,0]=4 108 B7R1.3 O[C@@H]1CCCNC1 K12060 [0,0,0,1,0,0|2,0,0]=3 109 B7R1.3 O[C@@H]1CCCOC1 P44487 [0,0,0,1,0,0|3,0,0]=4 110 B7R1.3 O[C@H]1CCCNC1 K12075 [0,0,0,1,0,0|2,0,0]=3 111 B7R1.3 O[C@H]1CCCNC1 L13549 [0,0,0,1,0,0|2,0,0]=3 112 B7R1.3 O[C@H]1CCCOC1 P51230 [0,0,0,1,0,0|3,0,0]=4 113 B7R1.3 SC1CCCNC1 L21541 [0,0,0,1,0,0|2,0,0]=3 114 B7R1.3 SC1CCCOC1 Q57701 [0,0,0,1,0,0|3,0,0]=4 115 B7R1.4 CC1CNCC1C O33388 [0,0,0,1,0,0|2,0,0]=3 116 B7R1.4 CC1CNCC1F Q54416 [0,0,0,1,0,0|2,0,0]=3 117 B7R1.4 CC1CNCC1O Q59312 [0,0,0,1,0,0|2,0,0]=3 118 B7R1.4 C[C@@H]1CCC[C@@H]1N Q53279 [0,0,0,1,0,0|2,0,0]=3 119 B7R1.4 C[C@@H]1CCC[C@@H]1N Q53280 [0,0,0,1,0,0|2,0,0]=3 120 B7R1.4 C[C@@H]1CNC[C@@H]1F Q56053 [0,0,0,1,0,0|2,0,0]=3 121 B7R1.4 C[C@@H]1CNC[C@@H]1F Q56054 [0,0,0,1,0,0|2,0,0]=3 122 B7R1.4 C[C@@H]1CNC[C@@H]1N Q61701 [0,0,0,1,0,0|1,0,0]=2 123 B7R1.4 C[C@@H]1CNC[C@@H]1N Q61702 [0,0,0,1,0,0|1,0,0]=2 124 B7R1.4 C[C@@H]1CNC[C@@H]1O L22286 [0,0,0,1,0,0|2,0,0]=3 125 B7R1.4 C[C@@H]1CNC[C@@H]1O Q55495 [0,0,0,1,0,0|2,0,0]=3 126 B7R1.4 C[C@@H]1CNC[C@H]1O L22285 [0,0,0,1,0,0|2,0,0]=3 127 B7R1.4 C[C@@H]1CNC[C@H]1O Q55494 [0,0,0,1,0,0|2,0,0]=3 128 B7R1.4 C[C@@H]1COC[C@H]1N F-4262 [0,0,0,1,0,0|2,0,0]=3 129 B7R1.4 C[C@H]1CCC[C@@H]1N Q53277 [0,0,0,1,0,0|2,0,0]=3 130 B7R1.4 C[C@H]1CCC[C@@H]1N Q53278 [0,0,0,1,0,0|2,0,0]=3 131 B7R1.4 C[C@H]1COC[C@@H]1N L13875 [0,0,0,1,0,0|2,0,0]=3 132 B7R1.4 FC1CNCC1F Q57411 [0,0,0,1,0,0|2,0,0]=3 133 B7R1.4 F[C@@H]1CNC[C@H]1F Q63594 [0,0,0,1,0,0|2,0,0]=3 134 B7R1.4 F[C@H]1CNC[C@@H]1F K12040 [0,0,0,1,0,0|2,0,0]=3 135 B7R1.4 F[C@H]1CNC[C@@H]1F Q56486 [0,0,0,1,0,0|2,0,0]=3 136 B7R1.4 F[C@H]1CNC[C@H]1F G-6496 [0,0,0,1,0,0|2,0,0]=3 137 B7R1.4 NC1CCCC1Cl Q54474 [0,0,0,1,0,0|2,0,0]=3 138 B7R1.4 NC1CCCC1F Q54472 [0,0,0,1,0,0|2,0,0]=3 139 B7R1.4 NC1CCCC1F Q54473 [0,0,0,1,0,0|2,0,0]=3 140 B7R1.4 NC1CCCC1O F-4442 [0,0,0,1,0,0|2,0,0]=3 141 B7R1.4 N[C@@H]1CCC[C@@H]1F Q61724 [0,0,0,1,0,0|2,0,0]=3 142 B7R1.4 N[C@@H]1CCC[C@@H]1F Q61725 [0,0,0,1,0,0|2,0,0]=3 143 B7R1.4 N[C@@H]1CCC[C@@H]1O F-4443 [0,0,0,1,0,0|2,0,0]=3 144 B7R1.4 N[C@@H]1CCC[C@@H]1O F-4445 [0,0,0,1,0,0|2,0,0]=3 145 B7R1.4 N[C@@H]1CCC[C@H]1F O32983 [0,0,0,1,0,0|2,0,0]=3 146 B7R1.4 N[C@@H]1CCC[C@H]1F Q61721 [0,0,0,1,0,0|2,0,0]=3 147 B7R1.4 N[C@@H]1CCC[C@H]1F Q61728 [0,0,0,1,0,0|2,0,0]=3 148 B7R1.4 N[C@@H]1CCC[C@H]1N L21303 [0,0,0,1,0,0|1,0,0]=2 149 B7R1.4 N[C@@H]1CCC[C@H]1N Q61965 [0,0,0,1,0,0|1,0,0]=2 150 B7R1.4 N[C@@H]1CCC[C@H]1O F-4450 [0,0,0,1,0,0|2,0,0]=3 151 B7R1.4 N[C@@H]1CCC[C@H]1O I-9382 [0,0,0,1,0,0|2,0,0]=3 152 B7R1.4 N[C@@H]1COC[C@@H]1N G-7625 [0,0,0,1,0,0|1,0,0]=2 153 B7R1.4 N[C@@H]1COC[C@@H]1N L14037 [0,0,0,1,0,0|1,0,0]=2 154 B7R1.4 N[C@@H]1COC[C@H]1N G-7624 [0,0,0,1,0,0|1,0,0]=2 155 B7R1.4 N[C@@H]1COC[C@H]1O H-8080 [0,0,0,1,0,0|2,0,0]=3 156 B7R1.4 N[C@H]1CCC[C@@H]1F Q61723 [0,0,0,1,0,0|2,0,0]=3 157 B7R1.4 N[C@H]1CCC[C@@H]1O F-4444 [0,0,0,1,0,0|2,0,0]=3 158 B7R1.4 N[C@H]1CCC[C@@H]1O F-4447 [0,0,0,1,0,0|2,0,0]=3 159 B7R1.4 N[C@H]1CCC[C@@H]1O F-4448 [0,0,0,1,0,0|2,0,0]=3 160 B7R1.4 N[C@H]1CCC[C@H]1F Q61722 [0,0,0,1,0,0|2,0,0]=3 161 B7R1.4 N[C@H]1CCC[C@H]1F Q61726 [0,0,0,1,0,0|2,0,0]=3 162 B7R1.4 N[C@H]1CCC[C@H]1F Q61727 [0,0,0,1,0,0|2,0,0]=3 163 B7R1.4 N[C@H]1CCC[C@H]1N O33475 [0,0,0,1,0,0|1,0,0]=2 164 B7R1.4 N[C@H]1CCC[C@H]1O F-4446 [0,0,0,1,0,0|2,0,0]=3 165 B7R1.4 N[C@H]1CCC[C@H]1O F-4449 [0,0,0,1,0,0|2,0,0]=3 166 B7R1.4 N[C@H]1CCC[C@H]1O Q52258 [0,0,0,1,0,0|2,0,0]=3 167 B7R1.4 N[C@H]1COC[C@@H]1N G-6892 [0,0,0,1,0,0|1,0,0]=2 168 B7R1.4 N[C@H]1COC[C@@H]1N G-7623 [0,0,0,1,0,0|1,0,0]=2 169 B7R1.4 N[C@H]1COC[C@@H]1O F-4615 [0,0,0,1,0,0|2,0,0]=3 170 B7R1.4 N[C@H]1COC[C@@H]1O H-8081 [0,0,0,1,0,0|2,0,0]=3 171 B7R1.4 N[C@H]1COC[C@H]1O L22268 [0,0,0,1,0,0|2,0,0]=3 172 B7R1.4 N[C@H]1COC[C@H]1O P45710 [0,0,0,1,0,0|2,0,0]=3 173 B7R1.4 OC1CCCC1F L19027 [0,0,0,1,0,0|3,0,0]=4 174 B7R1.4 O[C@@H]1CCC[C@H]1F Q62078 [0,0,0,1,0,0|3,0,0]=4 175 B7R1.4 O[C@@H]1CNC[C@@H]1F P47689 [0,0,0,1,0,0|2,0,0]=3 176 B7R1.4 O[C@@H]1CNC[C@H]1F L22087 [0,0,0,1,0,0|2,0,0]=3 177 B7R1.4 O[C@@H]1CNC[C@H]1O I-9041 [0,0,0,1,0,0|2,0,0]=3 178 B7R1.4 O[C@H]1CCC[C@@H]1O Q61543 [0,0,0,1,0,0|3,0,0]=4 179 B7R1.4 O[C@H]1CNC[C@@H]1F G-6498 [0,0,0,1,0,0|2,0,0]=3 180 B7R1.4 O[C@H]1CNC[C@@H]1F L18425 [0,0,0,1,0,0|2,0,0]=3 181 B7R1.4 O[C@H]1CNC[C@@H]1O G-7319 [0,0,0,1,0,0|2,0,0]=3 182 B7R1.4 O[C@H]1CNC[C@@H]1O I-9326 [0,0,0,1,0,0|2,0,0]=3 183 B7R1.4 O[C@H]1CNC[C@@H]1O O33609 [0,0,0,1,0,0|2,0,0]=3 184 B7R1.4 O[C@H]1CNC[C@H]1F L14907 [0,0,0,1,0,0|2,0,0]=3 185 B7R1.4 O[C@H]1CNC[C@H]1F Q64937 [0,0,0,1,0,0|2,0,0]=3 186 B7R1.4 O[C@H]1CNC[C@H]1O G-6497 [0,0,0,1,0,0|2,0,0]=3 187 B7R1.4 O[C@H]1CNC[C@H]1O H-8791 [0,0,0,1,0,0|2,0,0]=3 188 B7R1.4 O[C@H]1COC[C@H]1O G-7040 [0,0,0,1,0,0|3,0,0]=4 189 B7R1.6 BrCCC1CCO1 Q56185 [0,0,0,1,0,0|3,0,0]=4 190 B7R1.6 BrCCN1CCC1 P49207 [0,0,0,1,0,0|2,0,0]=3 191 B7R1.6 C#CCN1CCC1 P48093 [0,0,0,1,0,0|2,0,1]=4 192 B7R1.6 C=CCN1CCC1 P45061 [0,0,0,1,0,0|2,0,1]=4 193 B7R1.6 COCC1CCN1 I-9954 [0,0,0,1,0,0|3,0,0]=4 194 B7R1.6 COCC1CCN1 Q56488 [0,0,0,1,0,0|3,0,0]=4 195 B7R1.6 COCC1CCN1 Q56489 [0,0,0,1,0,0|3,0,0]=4 196 B7R1.6 COC[C@@H]1CCN1 G-6501 [0,0,0,1,0,0|3,0,0]=4 197 B7R1.6 COC[C@@H]1CCN1 L13813 [0,0,0,1,0,0|3,0,0]=4 198 B7R1.6 COC[C@H]1CCN1 G-7976 [0,0,0,1,0,0|3,0,0]=4 199 B7R1.6 ICCC1CCO1 Q56184 [0,0,0,1,0,0|3,0,0]=4 200 B7R1.6 N#CCN1CCC1 P45336 [0,0,0,1,0,0|1,0,2]=4 201 B7R1.6 NCCC1CCC1 L18182 [0,0,0,1,0,0|2,0,0]=3 202 B7R1.6 NCCC1CCC1 P48448 [0,0,0,1,0,0|2,0,0]=3 203 B7R1.6 NCCC1CCO1 O32973 [0,0,0,1,0,0|2,0,0]=3 204 B7R1.6 NCCC1CNC1 P48388 [0,0,0,1,0,0|3,0,0]=4 205 B7R1.6 NCCC1COC1 P49100 [0,0,0,1,0,0|3,0,0]=4 206 B7R1.6 NCCC1CSC1 Q58816 [0,0,0,1,0,0|3,0,0]=4 207 B7R1.6 NCCN1CCC1 L14069 [0,0,0,1,0,0|1,0,0]=2 208 B7R1.6 NCC[C@@H]1CCO1 Q56188 [0,0,0,1,0,0|2,0,0]=3 209 B7R1.6 NCC[C@H]1CCO1 Q56187 [0,0,0,1,0,0|2,0,0]=3 210 B7R1.6 NNCC1CCC1 L14190 [0,0,0,1,0,0|3,0,0]=4 211 B7R1.6 O=CCN1CCC1 P47882 [0,0,0,1,0,0|2,0,1]=4 212 B7R1.6 OCCC1CCC1 P34706 [0,0,0,1,0,0|3,0,0]=4 213 B7R1.6 OCCC1CCO1 F-4763 [0,0,0,1,0,0|3,0,0]=4 214 B7R1.6 OCCN1CCC1 P44493 [0,0,0,1,0,0|2,0,0]=3 215 B7R1.6 OCC[C@@H]1CCO1 Q56146 [0,0,0,1,0,0|3,0,0]=4 216 B7R1.6 OCC[C@H]1CCO1 Q56145 [0,0,0,1,0,0|3,0,0]=4 217 B7R1.7 CCCNC1CC1 P36383 [0,0,0,1,0,0|2,0,0]=3 218 B7R1.7 CCCNC1CC1 P41552 [0,0,0,1,0,0|2,0,0]=3 219 B7R1.7 NCCNC1CC1 O30035 [0,0,0,1,0,0|1,0,0]=2 220 B7R1.7 OCCNC1CC1 P38598 [0,0,0,1,0,0|2,0,0]=3 221 B7R1.8 CC1CCC1CO P48346 [0,0,0,1,0,0|3,0,0]=4 222 B7R1.8 CN1CCC1CN L18103 [0,0,0,1,0,0|3,0,0]=4 223 B7R1.8 CN1CCC1CN P43972 [0,0,0,1,0,0|3,0,0]=4 224 B7R1.8 CN1CC[C@@H]1CN L18105 [0,0,0,1,0,0|3,0,0]=4 225 B7R1.8 CN1CC[C@@H]1CN P43970 [0,0,0,1,0,0|3,0,0]=4 226 B7R1.8 CN1CC[C@H]1CN L18104 [0,0,0,1,0,0|3,0,0]=4 227 B7R1.8 CN1CC[C@H]1CN P43971 [0,0,0,1,0,0|3,0,0]=4 228 B7R1.8 CO[C@@H]1CC[C@@H]1N P50889 [0,0,0,1,0,0|3,0,0]=4 229 B7R1.8 CO[C@@H]1CC[C@@H]1N P50890 [0,0,0,1,0,0|3,0,0]=4 230 B7R1.8 CO[C@@H]1CC[C@H]1N P46967 [0,0,0,1,0,0|3,0,0]=4 231 B7R1.8 CO[C@@H]1CC[C@H]1N P50886 [0,0,0,1,0,0|3,0,0]=4 232 B7R1.8 CO[C@H]1CC[C@@H]1N P50517 [0,0,0,1,0,0|3,0,0]=4 233 B7R1.8 CO[C@H]1CC[C@H]1N P50488 [0,0,0,1,0,0|3,0,0]=4 234 B7R1.8 NCC1CCC1F P47834 [0,0,0,1,0,0|2,0,0]=3 235 B7R1.8 NCC1CCC1F P50566 [0,0,0,1,0,0|2,0,0]=3 236 B7R1.8 OCC1CCC1F P47249 [0,0,0,1,0,0|3,0,0]=4 237 B7R1.8 OCC1CCC1O P50851 [0,0,0,1,0,0|3,0,0]=4 238 B7R1.8 OC[C@@H]1CC[C@H]1O P50820 [0,0,0,1,0,0|3,0,0]=4 239 B7R1.8 OC[C@H]1CC[C@H]1O P48230 [0,0,0,1,0,0|3,0,0]=4 240 B7R1.9 OC[C@H]1C[C@H]1CO L22279 [0,0,0,1,0,0|3,0,0]=4 241 B7R1.24 C1CNCCOC1 O28784 [0,0,0,1,0,0|2,0,0]=3 242 B4R0.2 C#CCCN O34440 [2,0,0,0,0,0|0,0,2]=4 243 B4R0.2 C#CCNC P38619 [2,0,0,0,0,0|1,0,1]=4 244 B4R0.2 C=CCCN L22153 [2,0,0,0,0,0|0,0,2]=4 245 B4R0.2 C=CCNN O31326 [2,0,0,0,0,0|1,0,1]=4 246 B4R0.2 CCCNN O30752 [2,0,0,0,0,0|1,0,0]=3 247 B4R0.2 CNCCBr O34465 [2,0,0,0,0,0|1,0,0]=3 248 B4R0.2 COCCI O28025 [2,0,0,0,0,0|2,0,0]=4 249 B4R0.2 CSCCBr O31085 [2,0,0,0,0,0|2,0,0]=4 250 B4R0.2 CSCCN P36563 [2,0,0,0,0,0|1,0,0]=3 251 B4R0.2 NCCCS A-986 [2,0,0,0,0,0|1,0,0]=3 252 B4R0.2 NCCCS M15465 [2,0,0,0,0,0|1,0,0]=3 253 B6R0.1 CCC(S)CCO O29430 [1,1,0,0,0,0|2,0,0]=4 254 B6R0.1 CCC[C@@H](N)CO P35977 [1,1,0,0,0,0|2,0,0]=4 255 B6R0.1 CCC[C@H](N)CO P39535 [1,1,0,0,0,0|2,0,0]=4 256 B6R0.1 CCN(C)CCO Q66070 [1,1,0,0,0,0|1,0,0]=3 257 B6R0.1 CCNC(=O)CN P39222 [1,1,0,0,0,0|0,0,1]=3 258 B6R0.1 CCNC(=O)CO O31312 [1,1,0,0,0,0|1,0,1]=4 259 B6R0.1 CNC(=O)CCN P37692 [1,1,0,0,0,0|2,0,0]=4 260 B6R0.4 C#CCNC(C)C L20531 [1,1,0,0,0,0|1,0,1]=4 261 B6R0.4 CC(C)CCON L20789 [1,1,0,0,0,0|2,0,0]=4 262 B6R0.4 CC(C)NCC#N O29997 [1,1,0,0,0,0|0,0,2]=4 263 B6R0.4 CC(C)NCC#N O32001 [1,1,0,0,0,0|0,0,2]=4 264 B6R0.4 CC(C)NCCCl O34399 [1,1,0,0,0,0|1,0,0]=3 265 B6R0.4 CCNCC(=O)O P37534 [1,1,0,0,0,0|1,0,1]=4 266 B6R0.4 CCNCC(N)=O P36580 [1,1,0,0,0,0|0,0,1]=3 267 B8R0.1 CCCCN(C)CCO Q66068 [0,2,0,0,0,0|2,0,0]=4 268 B8R0.1 CCCNC(=O)CCN P42190 [0,2,0,0,0,0|1,0,0]=3 269 B8R0.1 CCCNC(=O)CNC P35278 [0,2,0,0,0,0|1,0,1]=4 270 B8R0.1 CCCNC(=O)CNC P42832 [0,2,0,0,0,0|1,0,1]=4 271 B8R0.4 NCCCCCCCO P40165 [0,2,0,0,0,0|2,0,0]=4 272 B8R0.4 OCCCNCCCO F-4132 [0,2,0,0,0,0|2,0,0]=4 273 B8R0.4 OCCCNCCCO O29405 [0,2,0,0,0,0|2,0,0]=4 274 B8R0.4 [N-]=[N+]=NCCCCCN P41116 [0,2,0,0,0,0|1,0,1]=4 275 B8R0.4 [N-]=[N+]=NCCCCCN P41453 [0,2,0,0,0,0|1,0,1]=4 276 B8R0.4 [N-]=[N+]=NCCOCCN P42313 [0,2,0,0,0,0|1,0,1]=4 277 B8R0.7 CN(C)CCCCCN P38845 [0,2,0,0,0,0|1,0,0]=3 278 B8R0.7 CN(C)CCOCCN P35778 [0,2,0,0,0,0|1,0,0]=3 279 B8R0.7 NCCCCNC(N)=O L20055 [0,2,0,0,0,0|1,0,1]=4 280 B8R0.7 NCCOCCC(=O)O P41214 [0,2,0,0,0,0|2,0,0]=4 281 B8R0.8 CC(C)C(=O)NCCN P37576 [0,2,0,0,0,0|1,0,1]=4 282 B8R0.9 NCC(=O)NCC(F)F P51197 [0,2,0,0,0,0|1,0,1]=4 283 B6R1.1 C1=CCNCC1 C-2421 [1,0,0,1,0,0|1,0,1]=4 284 B6R1.2 BrC1CCOC1 C-3309 [1,0,0,1,0,0|2,0,0]=4 285 B6R1.2 CC1CCCN1 Q61737 [1,0,0,1,0,0|1,0,0]=3 286 B6R1.2 CC1CCNC1 M22664 [1,0,0,1,0,0|1,0,0]=3 287 B6R1.2 C[C@@H]1CCCN1 L14631 [1,0,0,1,0,0|1,0,0]=3 288 B6R1.2 C[C@@H]1CCNC1 L13628 [1,0,0,1,0,0|1,0,0]=3 289 B6R1.2 C[C@H]1CCNC1 L14084 [1,0,0,1,0,0|1,0,0]=3 290 B6R1.2 ClC1CCNC1 P42791 [1,0,0,1,0,0|1,0,0]=3 291 B6R1.2 FC1CCNC1 A-349 [1,0,0,1,0,0|1,0,0]=3 292 B6R1.2 FC1CCNC1 C-2208 [1,0,0,1,0,0|1,0,0]=3 293 B6R1.2 FC1CCNC1 P51370 [1,0,0,1,0,0|1,0,0]=3 294 B6R1.2 F[C@@H]1CCNC1 O33274 [1,0,0,1,0,0|1,0,0]=3 295 B6R1.2 F[C@H]1CCNC1 A-348 [1,0,0,1,0,0|1,0,0]=3 296 B6R1.2 F[C@H]1CCNC1 L22005 [1,0,0,1,0,0|1,0,0]=3 297 B6R1.2 IC1CCCC1 I-9679 [1,0,0,1,0,0|2,0,0]=4 298 B6R1.2 IC1CCOC1 C-3308 [1,0,0,1,0,0|2,0,0]=4 299 B6R1.2 I[C@@H]1CCOC1 G-5348 [1,0,0,1,0,0|2,0,0]=4 300 B6R1.2 I[C@H]1CCOC1 G-5349 [1,0,0,1,0,0|2,0,0]=4 301 B6R1.2 NC1CC=CC1 F-4367 [1,0,0,1,0,0|1,0,1]=4 302 B6R1.2 NC1CC=CC1 Q57040 [1,0,0,1,0,0|1,0,1]=4 303 B6R1.2 NC1CCOC1 B-1171 [1,0,0,1,0,0|1,0,0]=3 304 B6R1.2 NC1CCOC1 P39935 [1,0,0,1,0,0|1,0,0]=3 305 B6R1.2 NN1CCCC1 M23462 [1,0,0,1,0,0|2,0,0]=4 306 B6R1.2 N[C@@H]1CCOC1 F-4072 [1,0,0,1,0,0|1,0,0]=3 307 B6R1.2 N[C@@H]1CCOC1 G-5144 [1,0,0,1,0,0|1,0,0]=3 308 B6R1.2 N[C@H]1CCOC1 F-4071 [1,0,0,1,0,0|1,0,0]=3 309 B6R1.2 N[C@H]1CCOC1 G-5145 [1,0,0,1,0,0|1,0,0]=3 310 B6R1.2 O=C1CCNC1 C-2247 [1,0,0,1,0,0|1,0,1]=4 311 B6R1.2 O=C1CCNC1 S72535 [1,0,0,1,0,0|1,0,1]=4 312 B6R1.2 OC1CCNC1 G-5959 [1,0,0,1,0,0|1,0,0]=3 313 B6R1.2 OC1CCNC1 I-9548 [1,0,0,1,0,0|1,0,0]=3 314 B6R1.2 OC1CCOC1 C-3328 [1,0,0,1,0,0|2,0,0]=4 315 B6R1.2 O[C@@H]1CCOC1 G-5347 [1,0,0,1,0,0|2,0,0]=4 316 B6R1.2 O[C@H]1CCOC1 G-6766 [1,0,0,1,0,0|2,0,0]=4 317 B6R1.3 BrCCC1CC1 O33551 [1,0,0,1,0,0|2,0,0]=4 318 B6R1.3 BrCC[C@H]1CO1 P51572 [1,0,0,1,0,0|2,0,0]=4 319 B6R1.3 CCNC1CC1 P36705 [1,0,0,1,0,0|1,0,0]=3 320 B6R1.3 ICCC1CC1 I-9916 [1,0,0,1,0,0|2,0,0]=4 321 B6R1.3 NCCC1CC1 G-5988 [1,0,0,1,0,0|1,0,0]=3 322 B6R1.3 NCCN1CC1 P45652 [1,0,0,1,0,0|0,0,0]=2 323 B6R1.3 NNCC1CC1 H-8575 [1,0,0,1,0,0|2,0,0]=4 324 B6R1.3 NNCC1CC1 I-9542 [1,0,0,1,0,0|2,0,0]=4 325 B6R1.3 NNCC1CC1 K12084 [1,0,0,1,0,0|2,0,0]=4 326 B6R1.3 NNCC1CC1 L13728 [1,0,0,1,0,0|2,0,0]=4 327 B6R1.3 OCCC1CC1 G-5984 [1,0,0,1,0,0|2,0,0]=4 328 B6R1.4 CC1CCC1N P44937 [1,0,0,1,0,0|1,0,0]=3 329 B6R1.4 CC1CCC1N P47065 [1,0,0,1,0,0|1,0,0]=3 330 B6R1.4 CC1CCC1O L20058 [1,0,0,1,0,0|2,0,0]=4 331 B6R1.4 CC1CNC1C P45190 [1,0,0,1,0,0|1,0,0]=3 332 B6R1.4 CC1CNC1C P46961 [1,0,0,1,0,0|1,0,0]=3 333 B6R1.4 CC1NCC1F P47439 [1,0,0,1,0,0|1,0,0]=3 334 B6R1.4 CC1NCC1F P47451 [1,0,0,1,0,0|1,0,0]=3 335 B6R1.4 CC1NCC1O P44849 [1,0,0,1,0,0|1,0,0]=3 336 B6R1.4 CC1NCC1O P44851 [1,0,0,1,0,0|1,0,0]=3 337 B6R1.4 CC1OCC1Br Q56171 [1,0,0,1,0,0|2,0,0]=4 338 B6R1.4 CC1OCC1I Q56172 [1,0,0,1,0,0|2,0,0]=4 339 B6R1.4 CC1OCC1N Q56170 [1,0,0,1,0,0|1,0,0]=3 340 B6R1.4 CC1OCC1O L18037 [1,0,0,1,0,0|2,0,0]=4 341 B6R1.4 C[C@@H]1NCC1F P50109 [1,0,0,1,0,0|1,0,0]=3 342 B6R1.4 C[C@@H]1NCC1O P47321 [1,0,0,1,0,0|1,0,0]=3 343 B6R1.4 C[C@@H]1NC[C@@H]1F P50877 [1,0,0,1,0,0|1,0,0]=3 344 B6R1.4 C[C@@H]1NC[C@@H]1F P50878 [1,0,0,1,0,0|1,0,0]=3 345 B6R1.4 C[C@@H]1NC[C@@H]1O P46638 [1,0,0,1,0,0|1,0,0]=3 346 B6R1.4 C[C@@H]1NC[C@@H]1O P48644 [1,0,0,1,0,0|1,0,0]=3 347 B6R1.4 C[C@@H]1NC[C@@H]1O P48652 [1,0,0,1,0,0|1,0,0]=3 348 B6R1.4 C[C@@H]1NC[C@@H]1O P50879 [1,0,0,1,0,0|1,0,0]=3 349 B6R1.4 C[C@@H]1NC[C@H]1F P50880 [1,0,0,1,0,0|1,0,0]=3 350 B6R1.4 C[C@@H]1NC[C@H]1F P50881 [1,0,0,1,0,0|1,0,0]=3 351 B6R1.4 C[C@@H]1NC[C@H]1O P46945 [1,0,0,1,0,0|1,0,0]=3 352 B6R1.4 C[C@@H]1NC[C@H]1O P48643 [1,0,0,1,0,0|1,0,0]=3 353 B6R1.4 C[C@@H]1NC[C@H]1O P48651 [1,0,0,1,0,0|1,0,0]=3 354 B6R1.4 C[C@@H]1OC[C@H]1O Q56119 [1,0,0,1,0,0|2,0,0]=4 355 B6R1.4 C[C@H]1NCC1F P50084 [1,0,0,1,0,0|1,0,0]=3 356 B6R1.4 C[C@H]1NCC1O P50087 [1,0,0,1,0,0|1,0,0]=3 357 B6R1.4 C[C@H]1NC[C@@H]1F P50079 [1,0,0,1,0,0|1,0,0]=3 358 B6R1.4 C[C@H]1NC[C@@H]1O P50080 [1,0,0,1,0,0|1,0,0]=3 359 B6R1.4 C[C@H]1NC[C@H]1F P50081 [1,0,0,1,0,0|1,0,0]=3 360 B6R1.4 C[C@H]1NC[C@H]1O P50082 [1,0,0,1,0,0|1,0,0]=3 361 B6R1.4 C[C@H]1NC[C@H]1O P50119 [1,0,0,1,0,0|1,0,0]=3 362 B6R1.4 C[C@H]1OC[C@H]1O Q56118 [1,0,0,1,0,0|2,0,0]=4 363 B6R1.4 NC1CCC1F P47239 [1,0,0,1,0,0|1,0,0]=3 364 B6R1.4 NC1CCC1F Q56123 [1,0,0,1,0,0|1,0,0]=3 365 B6R1.4 NC1CCC1O P45290 [1,0,0,1,0,0|1,0,0]=3 366 B6R1.4 NC1CCC1O P48134 [1,0,0,1,0,0|1,0,0]=3 367 B6R1.4 N[C@@H]1CC[C@@H]1O P43811 [1,0,0,1,0,0|1,0,0]=3 368 B6R1.4 N[C@@H]1CC[C@@H]1O P45279 [1,0,0,1,0,0|1,0,0]=3 369 B6R1.4 N[C@@H]1CC[C@@H]1O P45323 [1,0,0,1,0,0|1,0,0]=3 370 B6R1.4 N[C@@H]1CC[C@H]1O P45283 [1,0,0,1,0,0|1,0,0]=3 371 B6R1.4 N[C@@H]1CC[C@H]1O P46699 [1,0,0,1,0,0|1,0,0]=3 372 B6R1.4 N[C@@H]1CC[C@H]1O P46700 [1,0,0,1,0,0|1,0,0]=3 373 B6R1.4 N[C@@H]1CC[C@H]1O P47798 [1,0,0,1,0,0|1,0,0]=3 374 B6R1.4 N[C@@H]1CNC1=O P44692 [1,0,0,1,0,0|1,0,1]=4 375 B6R1.4 N[C@@H]1CNC1=O P50494 [1,0,0,1,0,0|1,0,1]=4 376 B6R1.4 N[C@H]1CC[C@@H]1O O33030 [1,0,0,1,0,0|1,0,0]=3 377 B6R1.4 N[C@H]1CC[C@@H]1O P46969 [1,0,0,1,0,0|1,0,0]=3 378 B6R1.4 N[C@H]1CC[C@H]1O P45237 [1,0,0,1,0,0|1,0,0]=3 379 B6R1.4 N[C@H]1CC[C@H]1O P46397 [1,0,0,1,0,0|1,0,0]=3 380 B6R1.4 N[C@H]1CNC1=O P44185 [1,0,0,1,0,0|1,0,1]=4 381 B6R1.4 N[C@H]1CNC1=O Q52584 [1,0,0,1,0,0|1,0,1]=4 382 B6R1.4 OC1CCC1F P46352 [1,0,0,1,0,0|2,0,0]=4 383 B6R1.4 OC1CCC1O P50009 [1,0,0,1,0,0|2,0,0]=4 384 B6R1.4 O[C@@H]1CC[C@H]1O P45708 [1,0,0,1,0,0|2,0,0]=4 385 B6R1.4 O[C@H]1CC[C@H]1O P45709 [1,0,0,1,0,0|2,0,0]=4 386 B6R1.6 BrCC1CCO1 F-4066 [1,0,0,1,0,0|2,0,0]=4 387 B6R1.6 CCC1CCN1 P47056 [1,0,0,1,0,0|1,0,0]=3 388 B6R1.6 CCC1CCN1 P48764 [1,0,0,1,0,0|1,0,0]=3 389 B6R1.6 ClCC1CCC1 M23070 [1,0,0,1,0,0|2,0,0]=4 390 B6R1.6 FCC1CCN1 P47490 [1,0,0,1,0,0|1,0,0]=3 391 B6R1.6 FC[C@@H]1CCN1 P45171 [1,0,0,1,0,0|1,0,0]=3 392 B6R1.6 FC[C@H]1CCN1 P47579 [1,0,0,1,0,0|1,0,0]=3 393 B6R1.6 ICC1CCC1 H-8778 [1,0,0,1,0,0|2,0,0]=4 394 B6R1.6 ICC1CCO1 G-7249 [1,0,0,1,0,0|2,0,0]=4 395 B6R1.6 N#CC1CCN1 P45204 [1,0,0,1,0,0|0,0,2]=4 396 B6R1.6 N#CC1CCN1 P46449 [1,0,0,1,0,0|0,0,2]=4 397 B6R1.6 N#C[C@@H]1CCN1 L14917 [1,0,0,1,0,0|0,0,2]=4 398 B6R1.6 N#C[C@@H]1CCN1 P47568 [1,0,0,1,0,0|0,0,2]=4 399 B6R1.6 N#C[C@H]1CCN1 P45978 [1,0,0,1,0,0|0,0,2]=4 400 B6R1.6 N#C[C@H]1CCN1 P47634 [1,0,0,1,0,0|0,0,2]=4 401 B6R1.6 NCC1CCC1 C-2308 [1,0,0,1,0,0|1,0,0]=3 402 B6R1.6 NCC1CCC1 L13986 [1,0,0,1,0,0|1,0,0]=3 403 B6R1.6 NCC1CCN1 G-5892 [1,0,0,1,0,0|0,0,0]=2 404 B6R1.6 NCC1CCN1 P49927 [1,0,0,1,0,0|0,0,0]=2 405 B6R1.6 NCC1CCO1 F-4044 [1,0,0,1,0,0|1,0,0]=3 406 B6R1.6 NCC1CCS1 Q58811 [1,0,0,1,0,0|1,0,0]=3 407 B6R1.6 NCC1CNC1 P39611 [1,0,0,1,0,0|2,0,0]=4 408 B6R1.6 NCC1CNC1 P49682 [1,0,0,1,0,0|2,0,0]=4 409 B6R1.6 NCC1COC1 C-2244 [1,0,0,1,0,0|2,0,0]=4 410 B6R1.6 NCC1COC1 L21567 [1,0,0,1,0,0|2,0,0]=4 411 B6R1.6 NCC1CSC1 G-7410 [1,0,0,1,0,0|2,0,0]=4 412 B6R1.6 NCC1CSC1 H-8020 [1,0,0,1,0,0|2,0,0]=4 413 B6R1.6 NC[C@@H]1CCO1 Q56226 [1,0,0,1,0,0|1,0,0]=3 414 B6R1.6 NC[C@H]1CCO1 Q64388 [1,0,0,1,0,0|1,0,0]=3 415 B6R1.6 NNC1CCC1 O30528 [1,0,0,1,0,0|2,0,0]=4 416 B6R1.6 NNC1CCC1 O31125 [1,0,0,1,0,0|2,0,0]=4 417 B6R1.6 NNC1CCC1 P44553 [1,0,0,1,0,0|2,0,0]=4 418 B6R1.6 OCC1CCN1 G-7151 [1,0,0,1,0,0|1,0,0]=3 419 B6R1.6 OCC1CCO1 F-4043 [1,0,0,1,0,0|2,0,0]=4 420 B6R1.6 OC[C@@H]1CCN1 B-1106 [1,0,0,1,0,0|1,0,0]=3 421 B6R1.6 OC[C@@H]1CCN1 P36030 [1,0,0,1,0,0|1,0,0]=3 422 B6R1.6 OC[C@@H]1CCO1 Q56225 [1,0,0,1,0,0|2,0,0]=4 423 B6R1.6 OC[C@H]1CCN1 B-1105 [1,0,0,1,0,0|1,0,0]=3 424 B6R1.6 OC[C@H]1CCN1 P35007 [1,0,0,1,0,0|1,0,0]=3 425 B6R1.6 OC[C@H]1CCO1 Q53294 [1,0,0,1,0,0|2,0,0]=4 426 B6R1.8 C[C@H]1C[C@H]1CO P43750 [1,0,0,1,0,0|2,0,0]=4 427 B8R1.2 BrCC1CCCNC1 Q55055 [0,1,0,1,0,0|2,0,0]=4 428 B8R1.2 BrC[C@@H]1CCCNC1 Q55056 [0,1,0,1,0,0|2,0,0]=4 429 B8R1.2 BrC[C@H]1CCCNC1 Q55057 [0,1,0,1,0,0|2,0,0]=4 430 B8R1.2 C#CC1CCCCN1 O30119 [0,1,0,1,0,0|2,0,0]=4 431 B8R1.2 C#CC1CCCNC1 L13025 [0,1,0,1,0,0|2,0,0]=4 432 B8R1.2 C#CC1CCCNC1 Q56306 [0,1,0,1,0,0|2,0,0]=4 433 B8R1.2 CCC1CNCCO1 B-1069 [0,1,0,1,0,0|2,0,0]=4 434 B8R1.2 CCC1COCCN1 B-1066 [0,1,0,1,0,0|2,0,0]=4 435 B8R1.2 CC[C@@H]1CCCCN1 Q54717 [0,1,0,1,0,0|2,0,0]=4 436 B8R1.2 CC[C@@H]1CCCNC1 Q61422 [0,1,0,1,0,0|2,0,0]=4 437 B8R1.2 CC[C@@H]1CNCCO1 B-1071 [0,1,0,1,0,0|2,0,0]=4 438 B8R1.2 CC[C@@H]1COCCN1 B-1064 [0,1,0,1,0,0|2,0,0]=4 439 B8R1.2 CC[C@H]1CCCNC1 Q61421 [0,1,0,1,0,0|2,0,0]=4 440 B8R1.2 CC[C@H]1CNCCO1 B-1070 [0,1,0,1,0,0|2,0,0]=4 441 B8R1.2 CC[C@H]1COCCN1 B-1065 [0,1,0,1,0,0|2,0,0]=4 442 B8R1.2 CNC1CCCNC1 K10899 [0,1,0,1,0,0|1,0,0]=3 443 B8R1.2 CNC1CCCSC1 Q57932 [0,1,0,1,0,0|2,0,0]=4 444 B8R1.2 CNC1CCCSC1 Q57933 [0,1,0,1,0,0|2,0,0]=4 445 B8R1.2 CN[C@@H]1CCCOC1 Q55431 [0,1,0,1,0,0|2,0,0]=4 446 B8R1.2 CN[C@H]1CCCOC1 Q55432 [0,1,0,1,0,0|2,0,0]=4 447 B8R1.2 COC1CCCNC1 C-3504 [0,1,0,1,0,0|2,0,0]=4 448 B8R1.2 COC1CCCNC1 M22805 [0,1,0,1,0,0|2,0,0]=4 449 B8R1.2 CO[C@@H]1CCCNC1 G-7538 [0,1,0,1,0,0|2,0,0]=4 450 B8R1.2 CO[C@@H]1CCCNC1 L13637 [0,1,0,1,0,0|2,0,0]=4 451 B8R1.2 CO[C@H]1CCCNC1 G-5239 [0,1,0,1,0,0|2,0,0]=4 452 B8R1.2 CO[C@H]1CCCNC1 L21633 [0,1,0,1,0,0|2,0,0]=4 453 B8R1.2 CSC1CCCNC1 H-8554 [0,1,0,1,0,0|2,0,0]=4 454 B8R1.2 FCC1CCCCN1 Q52081 [0,1,0,1,0,0|2,0,0]=4 455 B8R1.2 FCC1CCCNC1 M23801 [0,1,0,1,0,0|2,0,0]=4 456 B8R1.2 FC[C@@H]1CCCCN1 Q52082 [0,1,0,1,0,0|2,0,0]=4 457 B8R1.2 FC[C@@H]1CCCNC1 Q65004 [0,1,0,1,0,0|2,0,0]=4 458 B8R1.2 FC[C@H]1CCCCN1 Q52083 [0,1,0,1,0,0|2,0,0]=4 459 B8R1.2 FC[C@H]1CCCNC1 Q65002 [0,1,0,1,0,0|2,0,0]=4 460 B8R1.2 N#CC1CCCCN1 A-125 [0,1,0,1,0,0|1,0,1]=4 461 B8R1.2 N#CC1CCCNC1 A-124 [0,1,0,1,0,0|1,0,1]=4 462 B8R1.2 N#CC1CCCNC1 G-5248 [0,1,0,1,0,0|1,0,1]=4 463 B8R1.2 N#CC1CNCCN1 A-503 [0,1,0,1,0,0|0,0,1]=3 464 B8R1.2 N#C[C@@H]1CCCCN1 L18519 [0,1,0,1,0,0|1,0,1]=4 465 B8R1.2 N#C[C@@H]1CCCCN1 O33498 [0,1,0,1,0,0|1,0,1]=4 466 B8R1.2 N#C[C@@H]1CCCCN1 Q52040 [0,1,0,1,0,0|1,0,1]=4 467 B8R1.2 N#C[C@@H]1CCCNC1 L14278 [0,1,0,1,0,0|1,0,1]=4 468 B8R1.2 N#C[C@@H]1CCCNC1 P50463 [0,1,0,1,0,0|1,0,1]=4 469 B8R1.2 N#C[C@@H]1CCCNC1 Q65261 [0,1,0,1,0,0|1,0,1]=4 470 B8R1.2 N#C[C@@H]1CNCCO1 F-4344 [0,1,0,1,0,0|1,0,1]=4 471 B8R1.2 N#C[C@H]1CCCCN1 O33248 [0,1,0,1,0,0|1,0,1]=4 472 B8R1.2 N#C[C@H]1CCCCN1 Q52041 [0,1,0,1,0,0|1,0,1]=4 473 B8R1.2 N#C[C@H]1CCCCN1 Q52042 [0,1,0,1,0,0|1,0,1]=4 474 B8R1.2 N#C[C@H]1CCCNC1 L14298 [0,1,0,1,0,0|1,0,1]=4 475 B8R1.2 N#C[C@H]1CCCNC1 Q65260 [0,1,0,1,0,0|1,0,1]=4 476 B8R1.2 NCC1=CCCCC1 P38792 [0,1,0,1,0,0|2,0,0]=4 477 B8R1.2 NCC1CCCCS1 Q57980 [0,1,0,1,0,0|2,0,0]=4 478 B8R1.2 NCC1CCCOC1 L21850 [0,1,0,1,0,0|2,0,0]=4 479 B8R1.2 NCC1CCCSC1 Q57994 [0,1,0,1,0,0|2,0,0]=4 480 B8R1.2 NCC1CCOCC1 C-3413 [0,1,0,1,0,0|2,0,0]=4 481 B8R1.2 NCC1CCSCC1 I-9299 [0,1,0,1,0,0|2,0,0]=4 482 B8R1.2 NCC1CCSCC1 O30354 [0,1,0,1,0,0|2,0,0]=4 483 B8R1.2 NCC1CNCCO1 P42498 [0,1,0,1,0,0|1,0,0]=3 484 B8R1.2 NCC1COCCO1 O34357 [0,1,0,1,0,0|2,0,0]=4 485 B8R1.2 NC[C@@H]1CCCCO1 Q62567 [0,1,0,1,0,0|2,0,0]=4 486 B8R1.2 NC[C@@H]1CCCOC1 L18118 [0,1,0,1,0,0|2,0,0]=4 487 B8R1.2 NC[C@@H]1CCCOC1 Q56432 [0,1,0,1,0,0|2,0,0]=4 488 B8R1.2 NC[C@@H]1COCCO1 I-9071 [0,1,0,1,0,0|2,0,0]=4 489 B8R1.2 NC[C@H]1CCCCO1 Q62568 [0,1,0,1,0,0|2,0,0]=4 490 B8R1.2 NC[C@H]1CCCOC1 L18117 [0,1,0,1,0,0|2,0,0]=4 491 B8R1.2 NC[C@H]1CCCOC1 Q56431 [0,1,0,1,0,0|2,0,0]=4 492 B8R1.2 NC[C@H]1COCCO1 I-9072 [0,1,0,1,0,0|2,0,0]=4 493 B8R1.2 NNC1CCCNC1 O31292 [0,1,0,1,0,0|1,0,0]=3 494 B8R1.2 NNC1CCCNC1 O31297 [0,1,0,1,0,0|1,0,0]=3 495 B8R1.2 NNC1CCCOC1 Q52422 [0,1,0,1,0,0|2,0,0]=4 496 B8R1.2 NNC1CCCOC1 Q52423 [0,1,0,1,0,0|2,0,0]=4 497 B8R1.2 OCC1CNCCO1 B-1078 [0,1,0,1,0,0|2,0,0]=4 498 B8R1.2 OCC1COCCN1 B-1087 [0,1,0,1,0,0|2,0,0]=4 499 B8R1.2 OC[C@@H]1CCCCN1 M23455 [0,1,0,1,0,0|2,0,0]=4 500 B8R1.2 OC[C@@H]1CCCNC1 P44488 [0,1,0,1,0,0|2,0,0]=4 501 B8R1.2 OC[C@@H]1CNCCN1 B-1173 [0,1,0,1,0,0|1,0,0]=3 502 B8R1.2 OC[C@@H]1CNCCO1 B-1080 [0,1,0,1,0,0|2,0,0]=4 503 B8R1.2 OC[C@@H]1COCCN1 B-1089 [0,1,0,1,0,0|2,0,0]=4 504 B8R1.2 OC[C@H]1CCCCN1 M23615 [0,1,0,1,0,0|2,0,0]=4 505 B8R1.2 OC[C@H]1CCCNC1 O31559 [0,1,0,1,0,0|2,0,0]=4 506 B8R1.2 OC[C@H]1CCCNC1 P41232 [0,1,0,1,0,0|2,0,0]=4 507 B8R1.2 OC[C@H]1CNCCO1 B-1079 [0,1,0,1,0,0|2,0,0]=4 508 B8R1.2 OC[C@H]1COCCN1 B-1088 [0,1,0,1,0,0|2,0,0]=4 509 B8R1.5 CC1CCNCC1C Q59916 [0,1,0,1,0,0|2,0,0]=4 510 B8R1.5 CC1CCNCC1F Q59913 [0,1,0,1,0,0|2,0,0]=4 511 B8R1.5 CC1CCNCC1O F-4041 [0,1,0,1,0,0|2,0,0]=4 512 B8R1.5 CC1CCNCC1O G-7991 [0,1,0,1,0,0|2,0,0]=4 513 B8R1.5 CC1CNCCC1=O O34502 [0,1,0,1,0,0|2,0,0]=4 514 B8R1.5 CC1CNCCC1F Q54399 [0,1,0,1,0,0|2,0,0]=4 515 B8R1.5 CC1CNCCC1F Q54400 [0,1,0,1,0,0|2,0,0]=4 516 B8R1.5 CC1CNCCC1O I-9227 [0,1,0,1,0,0|2,0,0]=4 517 B8R1.5 CC1NCCCC1O Q61133 [0,1,0,1,0,0|2,0,0]=4 518 B8R1.5 CC1NCCNC1=O O34501 [0,1,0,1,0,0|1,0,1]=4 519 B8R1.5 CN1CCNCC1=O G-5499 [0,1,0,1,0,0|1,0,1]=4 520 B8R1.5 CN1CCNCC1=O G-5499-1 [0,1,0,1,0,0|1,0,1]=4 521 B8R1.5 C[C@@H]1CCCC[C@@H]1N O34546 [0,1,0,1,0,0|2,0,0]=4 522 B8R1.5 C[C@@H]1CCCC[C@@H]1N P46167 [0,1,0,1,0,0|2,0,0]=4 523 B8R1.5 C[C@@H]1CCCC[C@H]1N P44819 [0,1,0,1,0,0|2,0,0]=4 524 B8R1.5 C[C@@H]1CCCC[C@H]1N P44820 [0,1,0,1,0,0|2,0,0]=4 525 B8R1.5 C[C@@H]1CCCC[C@H]1N P45791 [0,1,0,1,0,0|2,0,0]=4 526 B8R1.5 C[C@@H]1CCCN[C@@H]1C P45337 [0,1,0,1,0,0|2,0,0]=4 527 B8R1.5 C[C@@H]1CCCN[C@@H]1C Q61336 [0,1,0,1,0,0|2,0,0]=4 528 B8R1.5 C[C@@H]1CCNC[C@@H]1O G-6540 [0,1,0,1,0,0|2,0,0]=4 529 B8R1.5 C[C@@H]1CCNC[C@@H]1O Q56504 [0,1,0,1,0,0|2,0,0]=4 530 B8R1.5 C[C@@H]1CCNC[C@H]1O Q56503 [0,1,0,1,0,0|2,0,0]=4 531 B8R1.5 C[C@@H]1CNCCN1C G-7636 [0,1,0,1,0,0|1,0,0]=3 532 B8R1.5 C[C@@H]1CNCCN1C L21507 [0,1,0,1,0,0|1,0,0]=3 533 B8R1.5 C[C@@H]1CNCC[C@@H]1F Q53340 [0,1,0,1,0,0|2,0,0]=4 534 B8R1.5 C[C@@H]1CNCC[C@H]1F Q53341 [0,1,0,1,0,0|2,0,0]=4 535 B8R1.5 C[C@@H]1CNCC[C@H]1O L21732 [0,1,0,1,0,0|2,0,0]=4 536 B8R1.5 C[C@@H]1CNCC[C@H]1O Q65201 [0,1,0,1,0,0|2,0,0]=4 537 B8R1.5 C[C@@H]1COCC[C@@H]1N Q52400 [0,1,0,1,0,0|2,0,0]=4 538 B8R1.5 C[C@@H]1COCC[C@H]1N O33010 [0,1,0,1,0,0|2,0,0]=4 539 B8R1.5 C[C@@H]1COCC[C@H]1N Q56430 [0,1,0,1,0,0|2,0,0]=4 540 B8R1.5 C[C@@H]1NCCC[C@@H]1O Q61250 [0,1,0,1,0,0|2,0,0]=4 541 B8R1.5 C[C@@H]1NCCC[C@H]1O Q61249 [0,1,0,1,0,0|2,0,0]=4 542 B8R1.5 C[C@@H]1NCCNC1=O O34331 [0,1,0,1,0,0|1,0,1]=4 543 B8R1.5 C[C@H]1CCCC[C@@H]1N P45803 [0,1,0,1,0,0|2,0,0]=4 544 B8R1.5 C[C@H]1CCCC[C@@H]1N P49914 [0,1,0,1,0,0|2,0,0]=4 545 B8R1.5 C[C@H]1CCCC[C@H]1N O34572 [0,1,0,1,0,0|2,0,0]=4 546 B8R1.5 C[C@H]1CCCC[C@H]1N P45166 [0,1,0,1,0,0|2,0,0]=4 547 B8R1.5 C[C@H]1CCNC[C@@H]1O G-6539 [0,1,0,1,0,0|2,0,0]=4 548 B8R1.5 C[C@H]1CNCCN1C G-7100 [0,1,0,1,0,0|1,0,0]=3 549 B8R1.5 C[C@H]1CNCCN1C L14176 [0,1,0,1,0,0|1,0,0]=3 550 B8R1.5 C[C@H]1CNCC[C@@H]1O Q65202 [0,1,0,1,0,0|2,0,0]=4 551 B8R1.5 C[C@H]1COCC[C@@H]1N G-7933 [0,1,0,1,0,0|2,0,0]=4 552 B8R1.5 C[C@H]1COCC[C@H]1N G-7268 [0,1,0,1,0,0|2,0,0]=4 553 B8R1.5 C[C@H]1COCC[C@H]1N Q52399 [0,1,0,1,0,0|2,0,0]=4 554 B8R1.5 C[C@H]1NCCC[C@@H]1O Q61135 [0,1,0,1,0,0|2,0,0]=4 555 B8R1.5 C[C@H]1NCCC[C@@H]1O Q61248 [0,1,0,1,0,0|2,0,0]=4 556 B8R1.5 C[C@H]1NCCC[C@H]1O Q61134 [0,1,0,1,0,0|2,0,0]=4 557 B8R1.5 C[C@H]1NCCC[C@H]1O Q61251 [0,1,0,1,0,0|2,0,0]=4 558 B8R1.5 C[C@H]1NCCNC1=O O34330 [0,1,0,1,0,0|1,0,1]=4 559 B8R1.5 F[C@H]1CCNC[C@@H]1F I-9645 [0,1,0,1,0,0|2,0,0]=4 560 B8R1.5 F[C@H]1CNCC[C@H]1F I-9608 [0,1,0,1,0,0|2,0,0]=4 561 B8R1.5 NC1CCCCC1=O P45934 [0,1,0,1,0,0|2,0,0]=4 562 B8R1.5 NC1CCCCC1F P50555 [0,1,0,1,0,0|2,0,0]=4 563 B8R1.5 NC1COCCC1F Q54881 [0,1,0,1,0,0|2,0,0]=4 564 B8R1.5 N[C@@H]1CC=CC[C@H]1N P44680 [0,1,0,1,0,0|1,0,0]=3 565 B8R1.5 N[C@@H]1CCCC[C@@H]1F P48909 [0,1,0,1,0,0|2,0,0]=4 566 B8R1.5 N[C@@H]1CCCC[C@@H]1O P46454 [0,1,0,1,0,0|2,0,0]=4 567 B8R1.5 N[C@@H]1CCCC[C@@H]1O P49846 [0,1,0,1,0,0|2,0,0]=4 568 B8R1.5 N[C@@H]1CCCC[C@H]1F P46966 [0,1,0,1,0,0|2,0,0]=4 569 B8R1.5 N[C@@H]1CCCC[C@H]1F P49016 [0,1,0,1,0,0|2,0,0]=4 570 B8R1.5 N[C@@H]1CCCC[C@H]1N M15638 [0,1,0,1,0,0|1,0,0]=3 571 B8R1.5 N[C@@H]1CCCC[C@H]1O P48754 [0,1,0,1,0,0|2,0,0]=4 572 B8R1.5 N[C@@H]1CCCNC1=O O34375 [0,1,0,1,0,0|1,0,1]=4 573 B8R1.5 N[C@@H]1CCNC[C@@H]1O Q52229 [0,1,0,1,0,0|1,0,0]=3 574 B8R1.5 N[C@@H]1CCNC[C@@H]1O Q52230 [0,1,0,1,0,0|1,0,0]=3 575 B8R1.5 N[C@@H]1CCNC[C@H]1O Q52224 [0,1,0,1,0,0|1,0,0]=3 576 B8R1.5 N[C@@H]1CCNC[C@H]1O Q52225 [0,1,0,1,0,0|1,0,0]=3 577 B8R1.5 N[C@@H]1CCOC[C@@H]1F I-9261 [0,1,0,1,0,0|2,0,0]=4 578 B8R1.5 N[C@@H]1CCOC[C@@H]1F O32994 [0,1,0,1,0,0|2,0,0]=4 579 B8R1.5 N[C@@H]1CCOC[C@@H]1F Q52308 [0,1,0,1,0,0|2,0,0]=4 580 B8R1.5 N[C@@H]1CCOC[C@@H]1O G-6344 [0,1,0,1,0,0|2,0,0]=4 581 B8R1.5 N[C@@H]1CCOC[C@@H]1O G-7927 [0,1,0,1,0,0|2,0,0]=4 582 B8R1.5 N[C@@H]1CCOC[C@@H]1O L13461 [0,1,0,1,0,0|2,0,0]=4 583 B8R1.5 N[C@@H]1CCOC[C@@H]1O Q65031 [0,1,0,1,0,0|2,0,0]=4 584 B8R1.5 N[C@@H]1CCOC[C@H]1F I-9786 [0,1,0,1,0,0|2,0,0]=4 585 B8R1.5 N[C@@H]1CCOC[C@H]1O I-9206 [0,1,0,1,0,0|2,0,0]=4 586 B8R1.5 N[C@@H]1COCC[C@@H]1O L14613 [0,1,0,1,0,0|2,0,0]=4 587 B8R1.5 N[C@@H]1COCC[C@@H]1O Q65030 [0,1,0,1,0,0|2,0,0]=4 588 B8R1.5 N[C@@H]1COCC[C@H]1F Q65046 [0,1,0,1,0,0|2,0,0]=4 589 B8R1.5 N[C@@H]1COCC[C@H]1O G-7504 [0,1,0,1,0,0|2,0,0]=4 590 B8R1.5 N[C@@H]1COCC[C@H]1O L13647 [0,1,0,1,0,0|2,0,0]=4 591 B8R1.5 N[C@H]1CCCC[C@@H]1F P49406 [0,1,0,1,0,0|2,0,0]=4 592 B8R1.5 N[C@H]1CCCC[C@@H]1O P44501 [0,1,0,1,0,0|2,0,0]=4 593 B8R1.5 N[C@H]1CCCC[C@H]1O P45876 [0,1,0,1,0,0|2,0,0]=4 594 B8R1.5 N[C@H]1CCCC[C@H]1O P46705 [0,1,0,1,0,0|2,0,0]=4 595 B8R1.5 N[C@H]1CCCNC1=O O34462 [0,1,0,1,0,0|1,0,1]=4 596 B8R1.5 N[C@H]1CCNC[C@@H]1O Q52226 [0,1,0,1,0,0|1,0,0]=3 597 B8R1.5 N[C@H]1CCNC[C@H]1O Q52227 [0,1,0,1,0,0|1,0,0]=3 598 B8R1.5 N[C@H]1CCNC[C@H]1O Q52228 [0,1,0,1,0,0|1,0,0]=3 599 B8R1.5 N[C@H]1CCOC[C@@H]1F I-9495 [0,1,0,1,0,0|2,0,0]=4 600 B8R1.5 N[C@H]1CCOC[C@@H]1F I-9780 [0,1,0,1,0,0|2,0,0]=4 601 B8R1.5 N[C@H]1CCOC[C@@H]1O G-7267 [0,1,0,1,0,0|2,0,0]=4 602 B8R1.5 N[C@H]1CCOC[C@@H]1O I-9259 [0,1,0,1,0,0|2,0,0]=4 603 B8R1.5 N[C@H]1CCOC[C@@H]1O Q65027 [0,1,0,1,0,0|2,0,0]=4 604 B8R1.5 N[C@H]1CCOC[C@H]1F O32995 [0,1,0,1,0,0|2,0,0]=4 605 B8R1.5 N[C@H]1CCOC[C@H]1F Q52307 [0,1,0,1,0,0|2,0,0]=4 606 B8R1.5 N[C@H]1CCOC[C@H]1O L18331 [0,1,0,1,0,0|2,0,0]=4 607 B8R1.5 N[C@H]1CCOC[C@H]1O Q65032 [0,1,0,1,0,0|2,0,0]=4 608 B8R1.5 N[C@H]1COCC[C@@H]1O G-5997 [0,1,0,1,0,0|2,0,0]=4 609 B8R1.5 N[C@H]1COCC[C@@H]1O Q56271 [0,1,0,1,0,0|2,0,0]=4 610 B8R1.5 N[C@H]1COCC[C@H]1O Q65029 [0,1,0,1,0,0|2,0,0]=4 611 B8R1.5 O=C1CCNCC1Br Q52493 [0,1,0,1,0,0|2,0,0]=4 612 B8R1.5 O=C1CCNCC1F G-7340 [0,1,0,1,0,0|2,0,0]=4 613 B8R1.5 O=C1CCNCC1F Q56501 [0,1,0,1,0,0|2,0,0]=4 614 B8R1.5 O[C@@H]1CCNC[C@@H]1F I-9127 [0,1,0,1,0,0|2,0,0]=4 615 B8R1.5 O[C@@H]1CCNC[C@@H]1F Q56264 [0,1,0,1,0,0|2,0,0]=4 616 B8R1.5 O[C@@H]1CCNC[C@H]1F G-6837 [0,1,0,1,0,0|2,0,0]=4 617 B8R1.5 O[C@@H]1CCNC[C@H]1F Q56265 [0,1,0,1,0,0|2,0,0]=4 618 B8R1.5 O[C@@H]1CNCC[C@H]1F G-6836 [0,1,0,1,0,0|2,0,0]=4 619 B8R1.5 O[C@@H]1CNCC[C@H]1F L13235 [0,1,0,1,0,0|2,0,0]=4 620 B8R1.5 O[C@H]1CCNC[C@@H]1F L13157 [0,1,0,1,0,0|2,0,0]=4 621 B8R1.5 O[C@H]1CCNC[C@@H]1O H-8035 [0,1,0,1,0,0|2,0,0]=4 622 B8R1.5 O[C@H]1CCNC[C@@H]1O O33528 [0,1,0,1,0,0|2,0,0]=4 623 B8R1.5 O[C@H]1CCNC[C@H]1F G-5703 [0,1,0,1,0,0|2,0,0]=4 624 B8R1.5 O[C@H]1CCNC[C@H]1F Q52346 [0,1,0,1,0,0|2,0,0]=4 625 B8R1.5 O[C@H]1CCNC[C@H]1O Q59861 [0,1,0,1,0,0|2,0,0]=4 626 B8R1.5 O[C@H]1CNCC[C@H]1F Q52403 [0,1,0,1,0,0|2,0,0]=4 627 B8R1.5 O[C@H]1CNCC[C@H]1F Q65042 [0,1,0,1,0,0|2,0,0]=4 628 B8R1.5 O[C@H]1CNCC[C@H]1O G-6972 [0,1,0,1,0,0|2,0,0]=4 629 B8R1.5 O[C@H]1CNCC[C@H]1O Q59948 [0,1,0,1,0,0|2,0,0]=4 630 B8R1.5 [C@@H]1(O)COCC[C@H]1N Q65028 [0,1,0,1,0,0|2,0,0]=4 631 B8R1.8 CNCC1CCCC1 P38031 [0,1,0,1,0,0|2,0,0]=4 632 B8R1.8 CNC[C@@H]1CCCN1 P49799 [0,1,0,1,0,0|1,0,0]=3 633 B8R1.8 CNC[C@H]1CCCN1 P45316 [0,1,0,1,0,0|1,0,0]=3 634 B8R1.8 COCC1CCCN1 O28849 [0,1,0,1,0,0|2,0,0]=4 635 B8R1.8 COC[C@@H]1CCCN1 L14013 [0,1,0,1,0,0|2,0,0]=4 636 B8R1.8 COC[C@H]1CCCN1 P35868 [0,1,0,1,0,0|2,0,0]=4 637 B8R1.8 NCCC1CCCC1 P37297 [0,1,0,1,0,0|2,0,0]=4 638 B8R1.8 NNCC1CCCC1 P44364 [0,1,0,1,0,0|2,0,0]=4 639 B8R1.8 NNCC1CCCC1 Q59135 [0,1,0,1,0,0|2,0,0]=4 640 B8R1.8 OCCC1CCCN1 G-5919 [0,1,0,1,0,0|2,0,0]=4 641 B8R1.8 OCCC1CCNC1 G-7310 [0,1,0,1,0,0|2,0,0]=4 642 B8R1.10 C=CCCN1CCC1 P45309 [0,1,0,1,0,0|2,0,0]=4 643 B8R1.10 CCCNC1CNC1 P48003 [0,1,0,1,0,0|1,0,0]=3 644 B8R1.10 CCCOC1CNC1 O30745 [0,1,0,1,0,0|2,0,0]=4 645 B8R1.10 CCCOC1CNC1 P44923 [0,1,0,1,0,0|2,0,0]=4 646 B8R1.10 CNCCC1CCC1 P34701 [0,1,0,1,0,0|2,0,0]=4 647 B8R1.10 CNCCN1CCC1 P44758 [0,1,0,1,0,0|1,0,0]=3 648 B8R1.10 FCCOC1CNC1 P48700 [0,1,0,1,0,0|2,0,0]=4 649 B8R1.10 N#CCCN1CCC1 P47303 [0,1,0,1,0,0|1,0,1]=4 650 B8R1.10 NCCCC1CCC1 P35867 [0,1,0,1,0,0|2,0,0]=4 651 B8R1.10 NCCCN1CCC1 P45494 [0,1,0,1,0,0|1,0,0]=3 652 B8R1.10 NCCOC1CCC1 L20867 [0,1,0,1,0,0|2,0,0]=4 653 B8R1.10 NCCOC1CCC1 P48638 [0,1,0,1,0,0|2,0,0]=4 654 B8R1.10 OCCCC1CNC1 P48483 [0,1,0,1,0,0|2,0,0]=4 655 B8R1.10 OCCCN1CCC1 P44834 [0,1,0,1,0,0|2,0,0]=4 656 B8R1.10 OCCNC1CCC1 P45739 [0,1,0,1,0,0|2,0,0]=4 657 B8R1.10 OCCNC1CSC1 Q58886 [0,1,0,1,0,0|2,0,0]=4 658 B8R1.10 OCCOC1CNC1 P48226 [0,1,0,1,0,0|2,0,0]=4 659 B8R1.11 CC1CCCC1CN L20508 [0,1,0,1,0,0|2,0,0]=4 660 B8R1.11 CCC1CNCC1O Q59343 [0,1,0,1,0,0|2,0,0]=4 661 B8R1.11 CC[C@@H]1CNC[C@@H]1F Q56055 [0,1,0,1,0,0|2,0,0]=4 662 B8R1.11 CC[C@@H]1CNC[C@@H]1F Q61812 [0,1,0,1,0,0|2,0,0]=4 663 B8R1.11 CN1CCCC1CN P39264 [0,1,0,1,0,0|1,0,0]=3 664 B8R1.11 CN1CCC[C@@H]1CN C-3654 [0,1,0,1,0,0|1,0,0]=3 665 B8R1.11 CN1CCC[C@@H]1CO P44684 [0,1,0,1,0,0|2,0,0]=4 666 B8R1.11 CN1CCC[C@H]1CN C-3570 [0,1,0,1,0,0|1,0,0]=3 667 B8R1.11 CN[C@@H]1CCC[C@H]1O Q55268 [0,1,0,1,0,0|2,0,0]=4 668 B8R1.11 CN[C@@H]1CCC[C@H]1O Q61729 [0,1,0,1,0,0|2,0,0]=4 669 B8R1.11 COC1CCCC1N Q59137 [0,1,0,1,0,0|2,0,0]=4 670 B8R1.11 COC1CCCC1N Q59138 [0,1,0,1,0,0|2,0,0]=4 671 B8R1.11 CO[C@@H]1CCC[C@@H]1N Q52259 [0,1,0,1,0,0|2,0,0]=4 672 B8R1.11 CO[C@@H]1CCC[C@@H]1N Q52260 [0,1,0,1,0,0|2,0,0]=4 673 B8R1.11 CO[C@@H]1CCC[C@H]1N Q56991 [0,1,0,1,0,0|2,0,0]=4 674 B8R1.11 CO[C@@H]1CNC[C@@H]1F Q52145 [0,1,0,1,0,0|2,0,0]=4 675 B8R1.11 CO[C@@H]1CNC[C@@H]1F Q63887 [0,1,0,1,0,0|2,0,0]=4 676 B8R1.11 CO[C@@H]1CNC[C@@H]1O L13358 [0,1,0,1,0,0|2,0,0]=4 677 B8R1.11 CO[C@@H]1CNC[C@@H]1O Q52624 [0,1,0,1,0,0|2,0,0]=4 678 B8R1.11 CO[C@@H]1CNC[C@H]1F Q63888 [0,1,0,1,0,0|2,0,0]=4 679 B8R1.11 CO[C@@H]1CNC[C@H]1N Q61621 [0,1,0,1,0,0|1,0,0]=3 680 B8R1.11 CO[C@@H]1CNC[C@H]1O Q52683 [0,1,0,1,0,0|2,0,0]=4 681 B8R1.11 CO[C@@H]1CNC[C@H]1O Q52684 [0,1,0,1,0,0|2,0,0]=4 682 B8R1.11 CO[C@H]1CCC[C@@H]1N Q52257 [0,1,0,1,0,0|2,0,0]=4 683 B8R1.11 CO[C@H]1CCC[C@@H]1N Q56990 [0,1,0,1,0,0|2,0,0]=4 684 B8R1.11 CO[C@H]1CNC[C@@H]1F G-6499 [0,1,0,1,0,0|2,0,0]=4 685 B8R1.11 CO[C@H]1CNC[C@@H]1F Q63889 [0,1,0,1,0,0|2,0,0]=4 686 B8R1.11 CO[C@H]1CNC[C@@H]1N Q61620 [0,1,0,1,0,0|1,0,0]=3 687 B8R1.11 CO[C@H]1CNC[C@@H]1O G-7975 [0,1,0,1,0,0|2,0,0]=4 688 B8R1.11 CO[C@H]1CNC[C@@H]1O Q52681 [0,1,0,1,0,0|2,0,0]=4 689 B8R1.11 CO[C@H]1CNC[C@@H]1O Q52682 [0,1,0,1,0,0|2,0,0]=4 690 B8R1.11 CO[C@H]1CNC[C@@H]1O Q52685 [0,1,0,1,0,0|2,0,0]=4 691 B8R1.11 CO[C@H]1CNC[C@H]1F Q55426 [0,1,0,1,0,0|2,0,0]=4 692 B8R1.11 CO[C@H]1CNC[C@H]1F Q63886 [0,1,0,1,0,0|2,0,0]=4 693 B8R1.11 CO[C@H]1CNC[C@H]1O Q52625 [0,1,0,1,0,0|2,0,0]=4 694 B8R1.11 CO[C@H]1CNC[C@H]1O Q52626 [0,1,0,1,0,0|2,0,0]=4 695 B8R1.11 CSC1CCCC1N Q59163 [0,1,0,1,0,0|2,0,0]=4 696 B8R1.11 C[C@H]1CNC[C@@H]1CO O33112 [0,1,0,1,0,0|2,0,0]=4 697 B8R1.11 C[C@H]1CNC[C@@H]1CO Q61714 [0,1,0,1,0,0|2,0,0]=4 698 B8R1.11 C[C@H]1CNC[C@@H]1CO S72706 [0,1,0,1,0,0|2,0,0]=4 699 B8R1.11 N#CC1CCCC1N Q54475 [0,1,0,1,0,0|1,0,1]=4 700 B8R1.11 N#C[C@@H]1CCC[C@@H]1N F-4843 [0,1,0,1,0,0|1,0,1]=4 701 B8R1.11 N#C[C@@H]1CCC[C@@H]1N G-7844 [0,1,0,1,0,0|1,0,1]=4 702 B8R1.11 N#C[C@@H]1CCC[C@@H]1N P50522 [0,1,0,1,0,0|1,0,1]=4 703 B8R1.11 N#C[C@@H]1CCC[C@@H]1N Q52161 [0,1,0,1,0,0|1,0,1]=4 704 B8R1.11 N#C[C@H]1CCC[C@H]1N L13306 [0,1,0,1,0,0|1,0,1]=4 705 B8R1.11 N#C[C@H]1CCC[C@H]1N Q52845 [0,1,0,1,0,0|1,0,1]=4 706 B8R1.11 N#C[C@H]1CCC[C@H]1N Q52846 [0,1,0,1,0,0|1,0,1]=4 707 B8R1.11 NCC1CCCC1N Q59144 [0,1,0,1,0,0|1,0,0]=3 708 B8R1.11 NCC1CCCC1O Q59145 [0,1,0,1,0,0|2,0,0]=4 709 B8R1.11 NC[C@@H]1CCC[C@H]1O Q52811 [0,1,0,1,0,0|2,0,0]=4 710 B8R1.11 NC[C@@H]1COC[C@@H]1O I-9678 [0,1,0,1,0,0|2,0,0]=4 711 B8R1.11 NC[C@H]1CCC[C@@H]1O Q52812 [0,1,0,1,0,0|2,0,0]=4 712 B8R1.11 NC[C@H]1COC[C@@H]1O I-9779 [0,1,0,1,0,0|2,0,0]=4 713 B8R1.11 OCC1NCCC1F Q59328 [0,1,0,1,0,0|2,0,0]=4 714 B8R1.11 OC[C@H]1NCC[C@@H]1O S72491 [0,1,0,1,0,0|2,0,0]=4 715 B8R1.12 COC1CCC1CN P44996 [0,1,0,1,0,0|2,0,0]=4 716 B8R1.12 NCC1CCC1CF P48302 [0,1,0,1,0,0|2,0,0]=4 717 B8R1.13 CNCC1CCC1F P47231 [0,1,0,1,0,0|2,0,0]=4 718 B8R1.13 COCC1CCC1N P47021 [0,1,0,1,0,0|2,0,0]=4 719 B8R1.13 COCC1CCC1N P47931 [0,1,0,1,0,0|2,0,0]=4 720 B8R1.13 COC[C@H]1CC[C@@H]1N P46988 [0,1,0,1,0,0|2,0,0]=4 721 B8R1.13 COC[C@H]1CC[C@@H]1N P46994 [0,1,0,1,0,0|2,0,0]=4 722 B8R1.13 COC[C@H]1CC[C@H]1N P46962 [0,1,0,1,0,0|2,0,0]=4 723 B8R1.13 COC[C@H]1CC[C@H]1N P46995 [0,1,0,1,0,0|2,0,0]=4 724 B8R1.22 CC1CCNCCN1 L14127 [0,1,0,1,0,0|1,0,0]=3 725 B8R1.22 FC1CCCNCC1 L18431 [0,1,0,1,0,0|2,0,0]=4 726 B8R1.22 O=C1CCCNCC1 A-576 [0,1,0,1,0,0|2,0,0]=4 727 B8R1.22 O=C1CCNCCN1 Q52595 [0,1,0,1,0,0|1,0,0]=3 728 B8R1.22 O=C1CNCCCN1 O34379 [0,1,0,1,0,0|1,0,1]=4 729 B8R1.22 O=C1CNCCNC1 P46870 [0,1,0,1,0,0|1,0,1]=4 730 B8R1.22 OC1CNCCNC1 P46534 [0,1,0,1,0,0|1,0,0]=3 731 B8R1.36 NCCNCC1CC1 P49859 [0,1,0,1,0,0|1,0,0]=3 732 B8R1.1 CCC1CCC(C)N1 Q59319 [0,1,0,1,0,0|2,0,0]=4 733 B8R1.1 C[C@@H]1CC[C@H](CO)N1 Q59341 [0,1,0,1,0,0|2,0,0]=4 734 B8R1.1 C[C@@H]1CN[C@H](CO)C1 Q64749 [0,1,0,1,0,0|2,0,0]=4 735 B8R1.1 NCC1CC(O)CN1 Q59300 [0,1,0,1,0,0|1,0,0]=3 736 B8R1.1 NCC1CCC(F)C1 Q52913 [0,1,0,1,0,0|2,0,0]=4 737 B8R1.1 NC[C@@H]1CCC(=O)N1 10036 [0,1,0,1,0,0|1,0,1]=4 738 B8R1.1 NC[C@@H]1CCC(=O)N1 O33611 [0,1,0,1,0,0|1,0,1]=4 739 B8R1.1 NC[C@@H]1CC[C@@H](F)C1 Q52915 [0,1,0,1,0,0|2,0,0]=4 740 B8R1.1 NC[C@@H]1CC[C@@H](O)C1 Q57119 [0,1,0,1,0,0|2,0,0]=4 741 B8R1.1 NC[C@@H]1CC[C@H](O)C1 Q57118 [0,1,0,1,0,0|2,0,0]=4 742 B8R1.1 NC[C@H]1CCC(=O)N1 10096 [0,1,0,1,0,0|1,0,1]=4 743 B8R1.1 NC[C@H]1CC[C@@H](F)C1 Q52914 [0,1,0,1,0,0|2,0,0]=4 744 B8R1.1 NC[C@H]1CC[C@@H](O)C1 Q57121 [0,1,0,1,0,0|2,0,0]=4 745 B8R1.1 NC[C@H]1CC[C@H](O)C1 Q57120 [0,1,0,1,0,0|2,0,0]=4 746 B8R1.1 OCC1CC(O)CN1 Q59342 [0,1,0,1,0,0|2,0,0]=4 747 B8R1.1 OC[C@@H]1C[C@@H](F)CN1 Q61815 [0,1,0,1,0,0|2,0,0]=4 748 B8R1.1 OC[C@@H]1C[C@@H](O)CN1 H-8224 [0,1,0,1,0,0|2,0,0]=4 749 B8R1.1 OC[C@@H]1C[C@@H](O)CN1 L13519 [0,1,0,1,0,0|2,0,0]=4 750 B8R1.1 OC[C@@H]1C[C@H](F)CN1 H-8865 [0,1,0,1,0,0|2,0,0]=4 751 B8R1.1 OC[C@@H]1C[C@H](O)CN1 P48680 [0,1,0,1,0,0|2,0,0]=4 752 B8R1.1 OC[C@H]1C[C@@H](F)CN1 Q61817 [0,1,0,1,0,0|2,0,0]=4 753 B8R1.1 OC[C@H]1C[C@H](F)CN1 Q61816 [0,1,0,1,0,0|2,0,0]=4 754 B8R1.1 OC[C@H]1C[C@H](O)CN1 Q61647 [0,1,0,1,0,0|2,0,0]=4 755 B8R1.3 CC1CCC(F)CN1 Q64642 [0,1,0,1,0,0|2,0,0]=4 756 B8R1.3 CC1CCC(O)CN1 Q61256 [0,1,0,1,0,0|2,0,0]=4 757 B8R1.3 CC1CCC(O)CN1 Q61257 [0,1,0,1,0,0|2,0,0]=4 758 B8R1.3 CC1CNC(=O)CN1 P35228 [0,1,0,1,0,0|1,0,1]=4 759 B8R1.3 CC1COC(C)CN1 P42779 [0,1,0,1,0,0|2,0,0]=4 760 B8R1.3 C[C@@H]1CC[C@@H](O)CN1 Q56745 [0,1,0,1,0,0|2,0,0]=4 761 B8R1.3 C[C@@H]1CC[C@H](O)CN1 P45650 [0,1,0,1,0,0|2,0,0]=4 762 B8R1.3 C[C@@H]1CC[C@H](O)CN1 Q56748 [0,1,0,1,0,0|2,0,0]=4 763 B8R1.3 C[C@@H]1CC[C@H](O)CN1 Q56749 [0,1,0,1,0,0|2,0,0]=4 764 B8R1.3 C[C@@H]1CNC(=O)CN1 L14453 [0,1,0,1,0,0|1,0,1]=4 765 B8R1.3 C[C@@H]1CO[C@H](C)CN1 H-8048 [0,1,0,1,0,0|2,0,0]=4 766 B8R1.3 C[C@@H]1CO[C@H](C)CN1 K16121 [0,1,0,1,0,0|2,0,0]=4 767 B8R1.3 C[C@H]1CC[C@@H](O)CN1 P50092 [0,1,0,1,0,0|2,0,0]=4 768 B8R1.3 C[C@H]1CC[C@@H](O)CN1 Q56719 [0,1,0,1,0,0|2,0,0]=4 769 B8R1.3 C[C@H]1CC[C@H](N)CC1 P45887 [0,1,0,1,0,0|2,0,0]=4 770 B8R1.3 C[C@H]1CC[C@H](O)CN1 Q56728 [0,1,0,1,0,0|2,0,0]=4 771 B8R1.3 C[C@H]1CC[C@H](O)CN1 Q56729 [0,1,0,1,0,0|2,0,0]=4 772 B8R1.3 C[C@H]1CNC(=O)CN1 L13879 [0,1,0,1,0,0|1,0,1]=4 773 B8R1.3 C[C@H]1CN[C@@H](C)CN1 G-7097 [0,1,0,1,0,0|1,0,0]=3 774 B8R1.3 C[C@H]1CN[C@H](C)CO1 F-4331 [0,1,0,1,0,0|2,0,0]=4 775 B8R1.3 C[C@H]1CO[C@@H](C)CN1 M23096 [0,1,0,1,0,0|2,0,0]=4 776 B8R1.3 C[C@H]1CO[C@@H](C)CN1 O32398 [0,1,0,1,0,0|2,0,0]=4 777 B8R1.3 C[C@H]1CO[C@H](C)CN1 H-8444 [0,1,0,1,0,0|2,0,0]=4 778 B8R1.3 NC1CCC(=O)NC1 C-3401 [0,1,0,1,0,0|1,0,1]=4 779 B8R1.3 NC1CCC(F)CC1 P48099 [0,1,0,1,0,0|2,0,0]=4 780 B8R1.3 NC1CCC(F)CC1 Q57430 [0,1,0,1,0,0|2,0,0]=4 781 B8R1.3 NC1CCC(O)CC1 P44662 [0,1,0,1,0,0|2,0,0]=4 782 B8R1.3 NC1CCC(O)CC1 P44669 [0,1,0,1,0,0|2,0,0]=4 783 B8R1.3 N[C@@H]1CCC(=O)NC1 L21492 [0,1,0,1,0,0|1,0,1]=4 784 B8R1.3 N[C@H]1CCC(=O)NC1 L21629 [0,1,0,1,0,0|1,0,1]=4 785 B8R1.3 N[C@H]1CC[C@@H](F)CC1 P44838 [0,1,0,1,0,0|2,0,0]=4 786 B8R1.3 N[C@H]1CC[C@@H](O)CC1 L13980 [0,1,0,1,0,0|2,0,0]=4 787 B8R1.3 N[C@H]1CC[C@H](F)CC1 P44837 [0,1,0,1,0,0|2,0,0]=4 788 B8R1.3 N[C@H]1CC[C@H](N)CC1 Q69448 [0,1,0,1,0,0|2,0,0]=4 789 B8R1.3 N[C@H]1CC[C@H](O)CC1 G-6922 [0,1,0,1,0,0|2,0,0]=4 790 B8R1.3 N[C@H]1CC[C@H](O)CC1 P45541 [0,1,0,1,0,0|2,0,0]=4 791 B8R1.38 CC(CN)C1CCO1 Q56203 [0,1,0,1,0,0|2,0,0]=4 792 B8R1.38 CC(CO)N1CCC1 P46846 [0,1,0,1,0,0|2,0,0]=4 793 B8R1.38 C[C@@H](CO)N1CCC1 P48675 [0,1,0,1,0,0|2,0,0]=4 794 B8R1.38 NCC(=O)N1CCC1 P42497 [0,1,0,1,0,0|1,0,1]=4 795 B8R1.38 NCC(N)C1CCC1 P47103 [0,1,0,1,0,0|2,0,0]=4 796 B8R1.38 NCC(N)C1CCC1 P48948 [0,1,0,1,0,0|2,0,0]=4 797 B8R1.38 NCC(O)C1CCC1 P45275 [0,1,0,1,0,0|2,0,0]=4 798 B8R1.38 NCC(O)C1CCC1 P46691 [0,1,0,1,0,0|2,0,0]=4 799 B8R1.40 NCC(=O)NC1CC1 P36714 [0,1,0,1,0,0|1,0,1]=4 800 B8R1.47 NCC1CC(CO)C1 P46501 [0,1,0,1,0,0|2,0,0]=4 801 B8R1.47 NC[C@H]1C[C@@H](CO)C1 P47261 [0,1,0,1,0,0|2,0,0]=4 802 B8R1.47 NC[C@H]1C[C@H](CO)C1 P47260 [0,1,0,1,0,0|2,0,0]=4 803 B8R1.50 C[C@@H]1CC[C@@H](O)[C@H]1N Q53610 [0,1,0,1,0,0|2,0,0]=4 804 B8R1.50 C[C@H]1CC[C@H](O)[C@@H]1N Q53609 [0,1,0,1,0,0|2,0,0]=4 805 B8R1.50 N[C@@H]1C(=O)NC[C@H]1O Q53540 [0,1,0,1,0,0|1,0,1]=4 806 B8R1.50 N[C@@H]1C(=O)NC[C@H]1O Q53541 [0,1,0,1,0,0|1,0,1]=4 807 B8R1.52 CC1(CN)CCCC1 Q59146 [0,1,0,1,0,0|2,0,0]=4 808 B8R1.52 CC1(CN)CCCO1 G-6526 [0,1,0,1,0,0|2,0,0]=4 809 B8R1.52 CC1(CN)CCCO1 O33458 [0,1,0,1,0,0|2,0,0]=4 810 B8R1.52 CC1(CO)CCCN1 S72618 [0,1,0,1,0,0|2,0,0]=4 811 B8R1.52 C[C@@]1(CO)CCCN1 G-7385 [0,1,0,1,0,0|2,0,0]=4 812 B8R1.52 C[C@]1(CO)CCCN1 G-7388 [0,1,0,1,0,0|2,0,0]=4 813 B8R1.52 NCC1(F)CCCC1 O33113 [0,1,0,1,0,0|2,0,0]=4 814 B8R1.52 NCC1(O)CCCC1 O33303 [0,1,0,1,0,0|2,0,0]=4 815 B8R1.52 NCC1(O)CCCC1 Q52143 [0,1,0,1,0,0|2,0,0]=4 816 B8R1.58 CCC1(C)OCC1N Q55852 [0,1,0,1,0,0|2,0,0]=4 817 B8R1.4 CC1CC(=O)CCN1 D-2514 [0,1,0,1,0,0|2,0,0]=4 818 B8R1.4 CC1CC(O)CCN1 G-7300 [0,1,0,1,0,0|2,0,0]=4 819 B8R1.4 CC1CC(O)CCN1 L21311 [0,1,0,1,0,0|2,0,0]=4 820 B8R1.4 CC1CNCC(F)C1 Q54411 [0,1,0,1,0,0|2,0,0]=4 821 B8R1.4 CN1CCCC(N)C1 C-3293 [0,1,0,1,0,0|1,0,0]=3 822 B8R1.4 CN1CCCC(O)C1 C-3297 [0,1,0,1,0,0|2,0,0]=4 823 B8R1.4 CN1CCC[C@@H](N)C1 C-2766 [0,1,0,1,0,0|1,0,0]=3 824 B8R1.4 CN1CCC[C@@H](N)C1 I-9583 [0,1,0,1,0,0|1,0,0]=3 825 B8R1.4 CN1CCC[C@@H](O)C1 G-5242 [0,1,0,1,0,0|2,0,0]=4 826 B8R1.4 CN1CCC[C@H](N)C1 C-2767 [0,1,0,1,0,0|1,0,0]=3 827 B8R1.4 CN1CCC[C@H](N)C1 G-5241 [0,1,0,1,0,0|1,0,0]=3 828 B8R1.4 CN1CCC[C@H](O)C1 G-5243 [0,1,0,1,0,0|2,0,0]=4 829 B8R1.4 C[C@@H]1CC(=O)CCN1 G-7641 [0,1,0,1,0,0|2,0,0]=4 830 B8R1.4 C[C@@H]1CCC[C@@H](C)N1 Q65231 [0,1,0,1,0,0|2,0,0]=4 831 B8R1.4 C[C@@H]1CCC[C@@H](C)N1 Q65232 [0,1,0,1,0,0|2,0,0]=4 832 B8R1.4 C[C@@H]1CCC[C@@H](N)C1 P49440 [0,1,0,1,0,0|2,0,0]=4 833 B8R1.4 C[C@@H]1CCC[C@H](N)C1 P45362 [0,1,0,1,0,0|2,0,0]=4 834 B8R1.4 C[C@@H]1CCC[C@H](N)C1 P49441 [0,1,0,1,0,0|2,0,0]=4 835 B8R1.4 C[C@@H]1CN(C)CCN1 L13059 [0,1,0,1,0,0|1,0,0]=3 836 B8R1.4 C[C@@H]1CN(C)CCN1 O33264 [0,1,0,1,0,0|1,0,0]=3 837 B8R1.4 C[C@@H]1CN(C)CCN1 P51464 [0,1,0,1,0,0|1,0,0]=3 838 B8R1.4 C[C@@H]1CNCC(=O)N1 L13903 [0,1,0,1,0,0|1,0,1]=4 839 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 10039 [0,1,0,1,0,0|1,0,0]=3 840 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 G-7092 [0,1,0,1,0,0|1,0,0]=3 841 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 I-9064 [0,1,0,1,0,0|1,0,0]=3 842 B8R1.4 C[C@@H]1COC[C@@H](C)N1 F-4699 [0,1,0,1,0,0|2,0,0]=4 843 B8R1.4 C[C@@H]1COC[C@@H](C)N1 H-8097 [0,1,0,1,0,0|2,0,0]=4 844 B8R1.4 C[C@@H]1COC[C@@H](C)N1 L21766 [0,1,0,1,0,0|2,0,0]=4 845 B8R1.4 C[C@@H]1C[C@H](F)CCN1 Q63705 [0,1,0,1,0,0|2,0,0]=4 846 B8R1.4 C[C@@H]1C[C@H](O)CCN1 G-6431 [0,1,0,1,0,0|2,0,0]=4 847 B8R1.4 C[C@@H]1C[C@H](O)CCN1 Q56468 [0,1,0,1,0,0|2,0,0]=4 848 B8R1.4 C[C@H]1CC(=O)CCN1 G-6964 [0,1,0,1,0,0|2,0,0]=4 849 B8R1.4 C[C@H]1CC(=O)CCN1 G-7640 [0,1,0,1,0,0|2,0,0]=4 850 B8R1.4 C[C@H]1CC(=O)CCN1 Q61425 [0,1,0,1,0,0|2,0,0]=4 851 B8R1.4 C[C@H]1CCC[C@@H](N)C1 P45360 [0,1,0,1,0,0|2,0,0]=4 852 B8R1.4 C[C@H]1CCC[C@H](C)N1 Q65229 [0,1,0,1,0,0|2,0,0]=4 853 B8R1.4 C[C@H]1CCC[C@H](C)N1 Q65230 [0,1,0,1,0,0|2,0,0]=4 854 B8R1.4 C[C@H]1CCC[C@H](N)C1 P45361 [0,1,0,1,0,0|2,0,0]=4 855 B8R1.4 C[C@H]1CN(C)CCN1 O34294 [0,1,0,1,0,0|1,0,0]=3 856 B8R1.4 C[C@H]1CNCC(=O)N1 G-7098 [0,1,0,1,0,0|1,0,1]=4 857 B8R1.4 C[C@H]1CNCC(=O)N1 H-8010 [0,1,0,1,0,0|1,0,1]=4 858 B8R1.4 C[C@H]1CNC[C@@H](C)N1 G-5759 [0,1,0,1,0,0|1,0,0]=3 859 B8R1.4 C[C@H]1CNC[C@H](C)N1 G-7093 [0,1,0,1,0,0|1,0,0]=3 860 B8R1.4 C[C@H]1CNC[C@H](C)N1 K12343 [0,1,0,1,0,0|1,0,0]=3 861 B8R1.4 C[C@H]1CNC[C@H](C)O1 G-6092 [0,1,0,1,0,0|2,0,0]=4 862 B8R1.4 C[C@H]1CNC[C@H](C)O1 H-8075 [0,1,0,1,0,0|2,0,0]=4 863 B8R1.4 C[C@H]1COC[C@@H](C)N1 G-7868 [0,1,0,1,0,0|2,0,0]=4 864 B8R1.4 C[C@H]1C[C@@H](F)CCN1 Q63704 [0,1,0,1,0,0|2,0,0]=4 865 B8R1.4 C[C@H]1C[C@@H](O)CCN1 G-6430 [0,1,0,1,0,0|2,0,0]=4 866 B8R1.4 C[C@H]1C[C@@H](O)CCN1 Q56467 [0,1,0,1,0,0|2,0,0]=4 867 B8R1.4 F[C@@H]1CNC[C@@H](F)C1 Q63549 [0,1,0,1,0,0|2,0,0]=4 868 B8R1.4 F[C@@H]1CNC[C@H](F)C1 Q63548 [0,1,0,1,0,0|2,0,0]=4 869 B8R1.4 NC1CCCC(=O)C1 P48005 [0,1,0,1,0,0|2,0,0]=4 870 B8R1.4 NC1CCCC(F)C1 P48941 [0,1,0,1,0,0|2,0,0]=4 871 B8R1.4 NC1CCCC(O)C1 F-4485 [0,1,0,1,0,0|2,0,0]=4 872 B8R1.4 NC1CCCC(O)C1 P51354 [0,1,0,1,0,0|2,0,0]=4 873 B8R1.4 NC1COCC(Br)C1 Q54615 [0,1,0,1,0,0|2,0,0]=4 874 B8R1.4 NC1COCC(F)C1 Q61513 [0,1,0,1,0,0|2,0,0]=4 875 B8R1.4 NC1COCC(O)C1 O33183 [0,1,0,1,0,0|2,0,0]=4 876 B8R1.4 NC1COCC(O)C1 Q61082 [0,1,0,1,0,0|2,0,0]=4 877 B8R1.4 N[C@@H]1CCC[C@@H](N)C1 P45856 [0,1,0,1,0,0|1,0,0]=3 878 B8R1.4 N[C@@H]1CCC[C@@H](N)C1 P50869 [0,1,0,1,0,0|1,0,0]=3 879 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 L14375 [0,1,0,1,0,0|2,0,0]=4 880 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 P45284 [0,1,0,1,0,0|2,0,0]=4 881 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 P46977 [0,1,0,1,0,0|2,0,0]=4 882 B8R1.4 N[C@@H]1CCC[C@H](O)C1 P44060 [0,1,0,1,0,0|2,0,0]=4 883 B8R1.4 N[C@@H]1COC[C@@H](N)C1 Q61081 [0,1,0,1,0,0|1,0,0]=3 884 B8R1.4 N[C@@H]1COC[C@@H](O)C1 Q54626 [0,1,0,1,0,0|2,0,0]=4 885 B8R1.4 N[C@@H]1COC[C@H](N)C1 Q61080 [0,1,0,1,0,0|1,0,0]=3 886 B8R1.4 N[C@@H]1COC[C@H](O)C1 Q54624 [0,1,0,1,0,0|2,0,0]=4 887 B8R1.4 N[C@@H]1COC[C@H](O)C1 Q54625 [0,1,0,1,0,0|2,0,0]=4 888 B8R1.4 N[C@H]1CCC[C@@H](F)C1 P48942 [0,1,0,1,0,0|2,0,0]=4 889 B8R1.4 N[C@H]1CCC[C@@H](F)C1 P50330 [0,1,0,1,0,0|2,0,0]=4 890 B8R1.4 N[C@H]1CCC[C@@H](N)C1 L14628 [0,1,0,1,0,0|1,0,0]=3 891 B8R1.4 N[C@H]1CCC[C@@H](N)C1 P45859 [0,1,0,1,0,0|1,0,0]=3 892 B8R1.4 N[C@H]1CCC[C@@H](N)C1 P48039 [0,1,0,1,0,0|1,0,0]=3 893 B8R1.4 N[C@H]1CCC[C@@H](O)C1 K10840 [0,1,0,1,0,0|2,0,0]=4 894 B8R1.4 N[C@H]1CCC[C@@H](O)C1 P44061 [0,1,0,1,0,0|2,0,0]=4 895 B8R1.4 N[C@H]1CCC[C@@H](O)C1 P45304 [0,1,0,1,0,0|2,0,0]=4 896 B8R1.4 N[C@H]1CCC[C@H](F)C1 P46535 [0,1,0,1,0,0|2,0,0]=4 897 B8R1.4 N[C@H]1CCC[C@H](N)C1 L18352 [0,1,0,1,0,0|1,0,0]=3 898 B8R1.4 N[C@H]1CCC[C@H](O)C1 O33050 [0,1,0,1,0,0|2,0,0]=4 899 B8R1.4 N[C@H]1CCC[C@H](O)C1 P45649 [0,1,0,1,0,0|2,0,0]=4 900 B8R1.4 N[C@H]1COC[C@@H](O)C1 Q54628 [0,1,0,1,0,0|2,0,0]=4 901 B8R1.4 N[C@H]1COC[C@H](O)C1 Q54627 [0,1,0,1,0,0|2,0,0]=4 902 B8R1.4 O[C@@H]1CNC[C@H](O)C1 Q61083 [0,1,0,1,0,0|2,0,0]=4 903 B8R1.4 O[C@H]1CNC[C@H](O)C1 Q61084 [0,1,0,1,0,0|2,0,0]=4 904 B8R1.6 CC1CN(CCO)C1 P47859 [0,1,0,1,0,0|2,0,0]=4 905 B8R1.6 CCCN1CC(O)C1 P48468 [0,1,0,1,0,0|2,0,0]=4 906 B8R1.6 CCCN1CC(O)C1 P48737 [0,1,0,1,0,0|2,0,0]=4 907 B8R1.6 NC1CN(CCF)C1 P47957 [0,1,0,1,0,0|1,0,0]=3 908 B8R1.6 NC1CN(CCO)C1 L14398 [0,1,0,1,0,0|1,0,0]=3 909 B8R1.6 NCCC1CC(F)C1 L14517 [0,1,0,1,0,0|2,0,0]=4 910 B8R1.6 NCCN1CC(F)C1 P46414 [0,1,0,1,0,0|1,0,0]=3 911 B8R1.6 NCCN1CC(O)C1 P49007 [0,1,0,1,0,0|1,0,0]=3 912 B8R1.6 OCCN1CC(F)C1 P47698 [0,1,0,1,0,0|2,0,0]=4 913 B8R1.7 CC(C)[C@@H]1CCCN1 L22352 [0,1,0,1,0,0|2,0,0]=4 914 B8R1.7 CC(C)[C@H]1CCCN1 Q55562 [0,1,0,1,0,0|2,0,0]=4 915 B8R1.7 CC(N)C1CCCC1 O30449 [0,1,0,1,0,0|2,0,0]=4 916 B8R1.7 CC(N)C1CCCC1 O33618 [0,1,0,1,0,0|2,0,0]=4 917 B8R1.7 C[C@H](N)C1CCCC1 Q59148 [0,1,0,1,0,0|2,0,0]=4 918 B8R1.7 FC(F)C1CCCN1 L13243 [0,1,0,1,0,0|2,0,0]=4 919 B8R1.7 FC(F)[C@@H]1CCCN1 L13410 [0,1,0,1,0,0|2,0,0]=4 920 B8R1.7 FC(F)[C@@H]1CCCN1 Q59180 [0,1,0,1,0,0|2,0,0]=4 921 B8R1.7 FC(F)[C@H]1CCCN1 Q52280 [0,1,0,1,0,0|2,0,0]=4 922 B8R1.7 NC(=O)C1CCCN1 P39079 [0,1,0,1,0,0|1,0,1]=4 923 B8R1.7 NC(=O)C1CCCN1 P42514 [0,1,0,1,0,0|1,0,1]=4 924 B8R1.7 NC(=O)[C@@H]1CCCN1 I-9393 [0,1,0,1,0,0|1,0,1]=4 925 B8R1.7 NC(=O)[C@@H]1CCCN1 P45231 [0,1,0,1,0,0|1,0,1]=4 926 B8R1.19 CC1(C)CCCC1N Q62001 [0,1,0,1,0,0|2,0,0]=4 927 B8R1.19 CC1(C)CCC[C@@H]1N Q63826 [0,1,0,1,0,0|2,0,0]=4 928 B8R1.19 CC1(C)CCC[C@H]1N Q63827 [0,1,0,1,0,0|2,0,0]=4 929 B8R1.19 CC1(C)CNC[C@H]1O Q61634 [0,1,0,1,0,0|2,0,0]=4 930 B8R1.19 CC1(F)CCCC1N Q54478 [0,1,0,1,0,0|2,0,0]=4 931 B8R1.19 CC1CNCC1(F)F L14473 [0,1,0,1,0,0|2,0,0]=4 932 B8R1.19 CC1CNCC1(F)F Q61798 [0,1,0,1,0,0|2,0,0]=4 933 B8R1.19 NC1CCCC1(F)F Q57432 [0,1,0,1,0,0|2,0,0]=4 934 B8R1.19 NC1CCCC1(F)F Q57433 [0,1,0,1,0,0|2,0,0]=4 935 B8R1.19 OC1CNCC1(F)F L14577 [0,1,0,1,0,0|2,0,0]=4 936 B8R1.19 O[C@@H]1CNCC1(F)F Q52826 [0,1,0,1,0,0|2,0,0]=4 937 B8R1.31 CC(C)C1OCC1N P50149 [0,1,0,1,0,0|2,0,0]=4 938 B8R1.31 NC(=O)C1CCC1N F-4228 [0,1,0,1,0,0|1,0,1]=4 939 B8R1.34 CC(O)CN1CCC1 P47869 [0,1,0,1,0,0|2,0,0]=4 940 B8R1.48 CC1(C)COC1CN L22314 [0,1,0,1,0,0|2,0,0]=4 941 B8R1.48 NCC1CCC1(F)F L21589 [0,1,0,1,0,0|2,0,0]=4 942 B8R1.48 NCC1CCC1(F)F P47835 [0,1,0,1,0,0|2,0,0]=4 943 B8R1.48 OCC1NCC1(F)F P43793 [0,1,0,1,0,0|2,0,0]=4 944 B8R1.72 CC1(C)CCCCN1 Q52541 [0,1,0,1,0,0|2,0,0]=4 945 B8R1.72 CC1(C)CNCCN1 D-2719 [0,1,0,1,0,0|1,0,0]=3 946 B8R1.72 CC1(C)CNCCO1 H-8786 [0,1,0,1,0,0|2,0,0]=4 947 B8R1.72 CC1(C)CNCCO1 L14122 [0,1,0,1,0,0|2,0,0]=4 948 B8R1.72 CC1(C)COCCN1 H-8787 [0,1,0,1,0,0|2,0,0]=4 949 B8R1.72 CC1(C)COCCN1 O28306 [0,1,0,1,0,0|2,0,0]=4 950 B8R1.72 CC1(F)CCCNC1 Q54394 [0,1,0,1,0,0|2,0,0]=4 951 B8R1.72 CC1(N)CCCOC1 H-8277 [0,1,0,1,0,0|2,0,0]=4 952 B8R1.72 CC1(N)CCCOC1 H-8277-1 [0,1,0,1,0,0|2,0,0]=4 953 B8R1.72 CC1(O)CCCNC1 A-831 [0,1,0,1,0,0|2,0,0]=4 954 B8R1.72 CC1(O)CCCNC1 M22629 [0,1,0,1,0,0|2,0,0]=4 955 B8R1.72 C[C@@]1(O)CCCNC1 Q65190 [0,1,0,1,0,0|2,0,0]=4 956 B8R1.72 C[C@]1(O)CCCNC1 P44137 [0,1,0,1,0,0|2,0,0]=4 957 B8R1.72 FC1(F)CCCNC1 C-2253 [0,1,0,1,0,0|2,0,0]=4 958 B8R1.18 CN1C[C@H](N)[C@H](O)C1 L22266 [0,1,0,1,0,0|1,0,0]=3 959 B8R1.66 NCCC1(F)CCC1 P47050 [0,1,0,1,0,0|2,0,0]=4 960 B8R1.66 NCCC1(O)CCC1 P43162 [0,1,0,1,0,0|2,0,0]=4 961 B8R1.66 NCCC1(O)CCC1 P48910 [0,1,0,1,0,0|2,0,0]=4 962 B8R2.11 NC1C2CCOC12 Q64151 [0,0,0,2,0,0|2,0,0]=4 963 B8R2.22 C1CC2CNC2C1 Q52162 [0,0,0,2,0,0|2,0,0]=4 964 B8R2.22 C1CC2CNCC12 G-7390 [0,0,0,2,0,0|2,0,0]=4 965 B8R2.22 C1CC2CNCC12 Q56567 [0,0,0,2,0,0|2,0,0]=4 966 B8R2.22 C1NC2COCC12 Q56927 [0,0,0,2,0,0|2,0,0]=4 967 B8R2.34 C1CC2CC1CN2 L21596 [0,0,0,2,0,0|2,0,0]=4 968 B8R2.34 C1CC2CC1CN2 P45371 [0,0,0,2,0,0|2,0,0]=4 969 B8R2.34 C1CC2CCC1N2 C-3483 [0,0,0,2,0,0|2,0,0]=4 970 B8R2.34 C1CC2CCC1N2 G-7486 [0,0,0,2,0,0|2,0,0]=4 971 B8R2.34 C1C[C@@H]2C[C@H]1CN2 Q53432 [0,0,0,2,0,0|2,0,0]=4 972 B8R2.34 C1C[C@@H]2C[C@H]1CN2 Q53433 [0,0,0,2,0,0|2,0,0]=4 973 B8R2.34 C1C[C@H]2CN[C@@H]1C2 Q53434 [0,0,0,2,0,0|2,0,0]=4 974 B8R2.34 C1C[C@H]2CN[C@@H]1C2 Q53435 [0,0,0,2,0,0|2,0,0]=4 975 B8R2.34 C1N[C@@H]2CN[C@H]1C2 P45510 [0,0,0,2,0,0|1,0,0]=3 976 B8R2.34 C1N[C@@H]2CN[C@H]1C2 P48802 [0,0,0,2,0,0|1,0,0]=3 977 B8R2.34 C1N[C@@H]2CN[C@H]1C2 P48808 [0,0,0,2,0,0|1,0,0]=3 978 B8R2.34 C1OC2CNC1C2 F-4204 [0,0,0,2,0,0|2,0,0]=4 979 B8R2.34 C1OC2CNC1C2 I-9390 [0,0,0,2,0,0|2,0,0]=4 980 B8R2.34 C1OC2CNC1C2 P44410 [0,0,0,2,0,0|2,0,0]=4 981 B8R2.34 C1O[C@@H]2CN[C@H]1C2 L21617 [0,0,0,2,0,0|2,0,0]=4 982 B8R2.34 C1O[C@H]2CN[C@@H]1C2 I-9936 [0,0,0,2,0,0|2,0,0]=4 983 B8R2.34 C1SC2CNC1C2 L20964 [0,0,0,2,0,0|2,0,0]=4 984 B8R2.34 C1S[C@@H]2CN[C@H]1C2 P49104 [0,0,0,2,0,0|2,0,0]=4 985 B8R2.34 C1S[C@@H]2CN[C@H]1C2 P49118 [0,0,0,2,0,0|2,0,0]=4 986 B8R2.34 C1S[C@H]2CN[C@@H]1C2 P46737 [0,0,0,2,0,0|2,0,0]=4 987 B8R2.34 [C@@H]12CO[C@@H](CN1)C2 F-4070 [0,0,0,2,0,0|2,0,0]=4 988 B8R2.34 [C@@H]12CO[C@@H](CN1)C2 I-9586 [0,0,0,2,0,0|2,0,0]=4 989 B8R2.34 [C@H]12CO[C@H](CN1)C2 G-6560 [0,0,0,2,0,0|2,0,0]=4 990 B8R2.34 [C@H]12CO[C@H](CN1)C2 G-6560-1 [0,0,0,2,0,0|2,0,0]=4 991 B8R2.55 C1CNC2(C1)CC2 G-6212 [0,0,0,2,0,0|2,0,0]=4 992 B8R2.2 FC12CNCC1C2 Q63903 [0,0,0,2,0,0|2,0,0]=4 993 B8R2.2 NC12COCC1C2 Q56929 [0,0,0,2,0,0|2,0,0]=4 994 B8R2.2 OC12CNCC1C2 Q63904 [0,0,0,2,0,0|2,0,0]=4 995 B8R2.2 OC12CNCC1C2 Q63905 [0,0,0,2,0,0|2,0,0]=4 996 B8R2.18 NC1CC2CC2C1 F-4590 [0,0,0,2,0,0|2,0,0]=4 997 B8R2.18 NC1CC2CC2C1 L22469 [0,0,0,2,0,0|2,0,0]=4 998 B8R2.18 N[C@H]1C[C@@H]2C[C@@H]2C1 Q55517 [0,0,0,2,0,0|2,0,0]=4 999 B8R2.23 C1NCC2CC1C2 G-6134 [0,0,0,2,0,0|2,0,0]=4 1000 B8R2.23 C1NCC2CC1C2 P43854 [0,0,0,2,0,0|2,0,0]=4 1001 B8R2.23 C1NCC2CC1N2 P45630 [0,0,0,2,0,0|1,0,0]=3 1002 B8R2.23 C1NCC2CC1O2 G-6636 [0,0,0,2,0,0|2,0,0]=4 1003 B8R2.23 C1NCC2CC1O2 L13316 [0,0,0,2,0,0|2,0,0]=4 1004 B8R2.23 C1OCC2CC1N2 L13890 [0,0,0,2,0,0|2,0,0]=4 1005 B8R2.23 C1OCC2CC1N2 P45822 [0,0,0,2,0,0|2,0,0]=4 1006 B8R2.23 C1SCC2CC1N2 P47949 [0,0,0,2,0,0|2,0,0]=4 1007 B8R2.25 C1CCC2NC2C1 Q58068 [0,0,0,2,0,0|2,0,0]=4 1008 B8R2.25 C1CNC2CC2C1 Q57310 [0,0,0,2,0,0|2,0,0]=4 1009 B8R2.25 C1CNC2CC2N1 O33195 [0,0,0,2,0,0|1,0,0]=3 1010 B8R2.25 C1CN[C@H]2C[C@H]2C1 Q58108 [0,0,0,2,0,0|2,0,0]=4 1011 B8R2.25 C1COC2CC2N1 Q57311 [0,0,0,2,0,0|2,0,0]=4 1012 B8R2.25 C1COC2CC2N1 Q57312 [0,0,0,2,0,0|2,0,0]=4 1013 B8R2.38 NC1CCC2CC12 Q56246 [0,0,0,2,0,0|2,0,0]=4 1014 B8R2.38 NC1CCC2CC12 Q56247 [0,0,0,2,0,0|2,0,0]=4 1015 B8R2.1 C1CC(C2CC2)N1 F-4827 [0,0,0,2,0,0|2,0,0]=4 1016 B8R2.42 C1CC2(C1)CCN2 G-6263 [0,0,0,2,0,0|2,0,0]=4 1017 B8R2.19 NC1CCC12CC2 Q56206 [0,0,0,2,0,0|2,0,0]=4 1018 B8R2.19 NC1CCC12CC2 Q56207 [0,0,0,2,0,0|2,0,0]=4 1019 B8R2.20 NCC1CC12CC2 Q57346 [0,0,0,2,0,0|2,0,0]=4 1020 B8R2.24 C1CC1NC2CC2 M15458 [0,0,0,2,0,0|2,0,0]=4