0 B6R0.6 BrCCNCCBr M15186 [0,0,0,0,0,0|3,0,0]=3 1 B6R0.6 C#CCCCCI P39398 [0,0,0,0,0,0|1,0,2]=3 2 B6R0.6 C#CCCCCN O31570 [0,0,0,0,0,0|1,0,2]=3 3 B6R0.6 C#CCCCNC L19187 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.6 C#CCOCCN P42183 [0,0,0,0,0,0|2,0,2]=4 5 B6R0.6 CNCCCCN L19491 [0,0,0,0,0,0|2,0,0]=2 6 B6R0.6 CNCCCOC P37437 [0,0,0,0,0,0|3,0,0]=3 7 B6R0.6 COCCCCN O29739 [0,0,0,0,0,0|2,0,0]=2 8 B6R0.6 NCCOCCN P39125 [0,0,0,0,0,0|3,0,0]=3 9 B6R0.6 OCCOCCBr P37296 [0,0,0,0,0,0|2,0,0]=2 10 B6R0.6 OCCOCCI P41754 [0,0,0,0,0,0|2,0,0]=2 11 B6R0.6 [N-]=[N+]=NCCCN M23188 [0,0,0,0,0,0|4,0,0]=4 12 B6R0.6 [N-]=[N+]=NCCCO Q66001 [0,0,0,0,0,0|3,0,0]=3 13 B5R0.2 C#CCCCI P39399 [1,0,0,0,0,0|1,0,2]=4 14 B5R0.2 C#CCCCO P37563 [1,0,0,0,0,0|0,0,2]=3 15 B5R0.2 C#CCCNC L20446 [1,0,0,0,0,0|1,0,2]=4 16 B5R0.2 C#CCNCC P37598 [1,0,0,0,0,0|1,0,2]=4 17 B5R0.2 C#CCOCC O29883 [1,0,0,0,0,0|1,0,2]=4 18 B5R0.2 CCNCCCl L21040 [1,0,0,0,0,0|2,0,0]=3 19 B5R0.2 CNCCSC M23087 [1,0,0,0,0,0|2,0,0]=3 20 B5R0.2 CSCCCN P39434 [1,0,0,0,0,0|2,0,0]=3 21 B5R0.2 NCC#CCO L20035 [1,0,0,0,0,0|1,0,2]=4 22 B5R0.2 NCCCCS L19142 [1,0,0,0,0,0|1,1,0]=3 23 B5R0.2 [N-]=[N+]=NCCO P41031 [1,0,0,0,0,0|3,0,0]=4 24 B7R0.1 BrCCSSCCBr Q69404 [0,1,0,0,0,0|3,0,0]=4 25 B7R0.1 C#CCCCCCI Q66056 [0,1,0,0,0,0|1,0,1]=3 26 B7R0.1 C#CCNCCCN P36031 [0,1,0,0,0,0|1,0,2]=4 27 B7R0.1 C#CCOCCOC P38854 [0,1,0,0,0,0|1,0,2]=4 28 B7R0.1 CCCCNCC#N P38905 [0,1,0,0,0,0|1,0,1]=3 29 B7R0.1 CCCCOCCN P36925 [0,1,0,0,0,0|1,0,0]=2 30 B7R0.1 COCCOCCN P38878 [0,1,0,0,0,0|2,0,0]=3 31 B7R0.1 NCCCOCCO P34738 [0,1,0,0,0,0|1,0,0]=2 32 B7R0.1 O=CCCCCCCl O30105 [0,1,0,0,0,0|0,0,2]=3 33 B7R0.1 [N-]=[N+]=NCCCCN P41887 [0,1,0,0,0,0|3,0,0]=4 34 B7R0.1 [N-]=[N+]=NCCCCO P37488 [0,1,0,0,0,0|2,0,0]=3 35 B7R0.3 CCCC[C@@H](N)CO P35979 [0,1,0,0,0,0|0,0,0]=1 36 B7R0.3 CCCC[C@H](N)CO P35978 [0,1,0,0,0,0|0,0,0]=1 37 B7R0.3 CCCNC(=O)CN P36648 [0,1,0,0,0,0|2,0,1]=4 38 B7R0.3 CCOCC(O)CN L19068 [0,1,0,0,0,0|2,0,0]=3 39 B7R0.3 CNC(=O)CCCN P40550 [0,1,0,0,0,0|2,0,1]=4 40 B7R0.3 CSCCC(N)CO P37819 [0,1,0,0,0,0|1,0,0]=2 41 B7R0.4 CC(=O)NCCCN P38199 [0,1,0,0,0,0|2,0,1]=4 42 B7R0.4 CC(C)CNCC#N M22778 [0,1,0,0,0,0|2,0,1]=4 43 B7R0.4 COCCCC(=O)O P39031 [0,1,0,0,0,0|1,0,1]=3 44 B7R0.4 NCCNCC(=O)O O28634 [0,1,0,0,0,0|2,0,1]=4 45 B7R0.4 NCCOCC(=O)O P35961 [0,1,0,0,0,0|2,0,1]=4 46 B7R0.7 CCCN(C)CCO Q66069 [0,1,0,0,0,0|1,0,0]=2 47 B7R0.7 CCNC(=O)CCN P36830 [0,1,0,0,0,0|2,0,1]=4 48 B7R0.7 CCOC(=O)CCI P36879 [0,1,0,0,0,0|2,0,1]=4 49 B7R0.7 CCOC(=O)NCO Q69358 [0,1,0,0,0,0|2,0,1]=4 50 B7R1.1 BrCC1=CCCC1 G-5335 [0,0,0,1,0,0|1,0,2]=4 51 B7R1.1 BrCC1CCOC1 C-3388 [0,0,0,1,0,0|2,0,0]=3 52 B7R1.1 C#CC1CCCN1 L14925 [0,0,0,1,0,0|1,0,2]=4 53 B7R1.1 C#CC1CCCN1 Q55558 [0,0,0,1,0,0|1,0,2]=4 54 B7R1.1 C#CC1CCNC1 Q55467 [0,0,0,1,0,0|2,0,1]=4 55 B7R1.1 C#CC1CCNC1 Q55468 [0,0,0,1,0,0|2,0,1]=4 56 B7R1.1 C#CC1CCOC1 G-7177 [0,0,0,1,0,0|2,0,1]=4 57 B7R1.1 C#C[C@@H]1CCCN1 Q55560 [0,0,0,1,0,0|1,0,2]=4 58 B7R1.1 C#C[C@H]1CCCN1 Q55559 [0,0,0,1,0,0|1,0,2]=4 59 B7R1.1 CC[C@@H]1CCNC1 L14526 [0,0,0,1,0,0|2,0,0]=3 60 B7R1.1 CC[C@H]1CCNC1 L14527 [0,0,0,1,0,0|2,0,0]=3 61 B7R1.1 CNC1CCCC1 P36274 [0,0,0,1,0,0|2,0,0]=3 62 B7R1.1 CNC1CCNC1 P41664 [0,0,0,1,0,0|3,0,0]=4 63 B7R1.1 CNC1CCOC1 I-9659 [0,0,0,1,0,0|3,0,0]=4 64 B7R1.1 CN[C@@H]1CCNC1 P41422 [0,0,0,1,0,0|3,0,0]=4 65 B7R1.1 CN[C@@H]1CCOC1 L13930 [0,0,0,1,0,0|3,0,0]=4 66 B7R1.1 CN[C@H]1CCNC1 P41423 [0,0,0,1,0,0|3,0,0]=4 67 B7R1.1 CN[C@H]1CCOC1 L13929 [0,0,0,1,0,0|3,0,0]=4 68 B7R1.1 COC1CCNC1 C-2248 [0,0,0,1,0,0|3,0,0]=4 69 B7R1.1 CO[C@@H]1CCNC1 C-2249 [0,0,0,1,0,0|3,0,0]=4 70 B7R1.1 CO[C@H]1CCNC1 C-2250 [0,0,0,1,0,0|3,0,0]=4 71 B7R1.1 CSC1CCNC1 L20011 [0,0,0,1,0,0|3,0,0]=4 72 B7R1.1 CS[C@@H]1CCNC1 Q52106 [0,0,0,1,0,0|3,0,0]=4 73 B7R1.1 CS[C@H]1CCNC1 Q52105 [0,0,0,1,0,0|3,0,0]=4 74 B7R1.1 FCC1CCCN1 Q52409 [0,0,0,1,0,0|2,0,0]=3 75 B7R1.1 FCC1CCNC1 L20341 [0,0,0,1,0,0|2,0,0]=3 76 B7R1.1 FC[C@@H]1CCCN1 G-5688 [0,0,0,1,0,0|2,0,0]=3 77 B7R1.1 FC[C@@H]1CCCN1 Q61799 [0,0,0,1,0,0|2,0,0]=3 78 B7R1.1 FC[C@@H]1CCNC1 P48130 [0,0,0,1,0,0|2,0,0]=3 79 B7R1.1 FC[C@@H]1CCNC1 Q61807 [0,0,0,1,0,0|2,0,0]=3 80 B7R1.1 FC[C@H]1CCCN1 I-9901 [0,0,0,1,0,0|2,0,0]=3 81 B7R1.1 FC[C@H]1CCCN1 Q51944 [0,0,0,1,0,0|2,0,0]=3 82 B7R1.1 FC[C@H]1CCNC1 P50376 [0,0,0,1,0,0|2,0,0]=3 83 B7R1.1 FC[C@H]1CCNC1 Q61806 [0,0,0,1,0,0|2,0,0]=3 84 B7R1.1 ICC1CCCC1 P39098 [0,0,0,1,0,0|1,0,0]=2 85 B7R1.1 ICC1CCOC1 I-9304 [0,0,0,1,0,0|2,0,0]=3 86 B7R1.1 N#CC1CCCN1 G-6826 [0,0,0,1,0,0|2,0,1]=4 87 B7R1.1 N#CC1CCCN1 Q51936 [0,0,0,1,0,0|2,0,1]=4 88 B7R1.1 N#CC1CCNC1 L13633 [0,0,0,1,0,0|2,0,1]=4 89 B7R1.1 N#CC1CCNC1 M23796 [0,0,0,1,0,0|2,0,1]=4 90 B7R1.1 N#CC1CCOC1 I-9148 [0,0,0,1,0,0|2,0,1]=4 91 B7R1.1 N#C[C@@H]1CCCN1 A-367 [0,0,0,1,0,0|2,0,1]=4 92 B7R1.1 N#C[C@@H]1CCCN1 G-5682 [0,0,0,1,0,0|2,0,1]=4 93 B7R1.1 N#C[C@@H]1CCNC1 C-2960 [0,0,0,1,0,0|2,0,1]=4 94 B7R1.1 N#C[C@@H]1CCOC1 G-6696 [0,0,0,1,0,0|2,0,1]=4 95 B7R1.1 N#C[C@H]1CCCN1 G-5683 [0,0,0,1,0,0|2,0,1]=4 96 B7R1.1 N#C[C@H]1CCCN1 O28475 [0,0,0,1,0,0|2,0,1]=4 97 B7R1.1 N#C[C@H]1CCNC1 C-2961 [0,0,0,1,0,0|2,0,1]=4 98 B7R1.1 N#C[C@H]1CCOC1 I-9839 [0,0,0,1,0,0|2,0,1]=4 99 B7R1.1 NCC1CCCC1 F-4714 [0,0,0,1,0,0|1,0,0]=2 100 B7R1.1 NCC1CCCC1 L14012 [0,0,0,1,0,0|1,0,0]=2 101 B7R1.1 NCC1CCCN1 P37060 [0,0,0,1,0,0|2,0,0]=3 102 B7R1.1 NCC1CCOC1 C-3659 [0,0,0,1,0,0|2,0,0]=3 103 B7R1.1 NCC1CCOC1 G-6767 [0,0,0,1,0,0|2,0,0]=3 104 B7R1.1 NC[C@@H]1CCCN1 G-5891 [0,0,0,1,0,0|2,0,0]=3 105 B7R1.1 NC[C@@H]1CCOC1 C-2790 [0,0,0,1,0,0|2,0,0]=3 106 B7R1.1 NC[C@@H]1CCOC1 G-5015 [0,0,0,1,0,0|2,0,0]=3 107 B7R1.1 NC[C@H]1CCCN1 P42386 [0,0,0,1,0,0|2,0,0]=3 108 B7R1.1 NC[C@H]1CCNC1 Q55433 [0,0,0,1,0,0|2,0,0]=3 109 B7R1.1 NC[C@H]1CCOC1 C-2789 [0,0,0,1,0,0|2,0,0]=3 110 B7R1.1 NC[C@H]1CCOC1 G-5014 [0,0,0,1,0,0|2,0,0]=3 111 B7R1.1 NNC1CCCC1 O31761 [0,0,0,1,0,0|2,0,0]=3 112 B7R1.1 NNC1CCNC1 O29712 [0,0,0,1,0,0|3,0,0]=4 113 B7R1.1 OCC1CC=CC1 G-6600 [0,0,0,1,0,0|0,0,2]=3 114 B7R1.1 OCC1CCNC1 C-2924 [0,0,0,1,0,0|1,0,0]=2 115 B7R1.1 OCC1CCNC1 L13610 [0,0,0,1,0,0|1,0,0]=2 116 B7R1.1 OCC1CCOC1 C-3387 [0,0,0,1,0,0|1,0,0]=2 117 B7R1.1 OCC1OCCO1 O33317 [0,0,0,1,0,0|2,0,0]=3 118 B7R1.1 OC[C@@H]1CCCO1 O32723 [0,0,0,1,0,0|1,0,0]=2 119 B7R1.1 OC[C@@H]1CCNC1 G-6083 [0,0,0,1,0,0|1,0,0]=2 120 B7R1.1 OC[C@@H]1CCNC1 L13662 [0,0,0,1,0,0|1,0,0]=2 121 B7R1.1 OC[C@@H]1CCOC1 C-2787 [0,0,0,1,0,0|1,0,0]=2 122 B7R1.1 OC[C@H]1CCNC1 G-6082 [0,0,0,1,0,0|1,0,0]=2 123 B7R1.1 OC[C@H]1CCNC1 L14041 [0,0,0,1,0,0|1,0,0]=2 124 B7R1.1 OC[C@H]1CCOC1 C-2788 [0,0,0,1,0,0|1,0,0]=2 125 B7R1.3 BrC1=CCCCC1 N24288 [0,0,0,1,0,0|1,0,2]=4 126 B7R1.3 BrC1C=CCCC1 P44668 [0,0,0,1,0,0|1,0,2]=4 127 B7R1.3 BrC1CCCNC1 H-8368 [0,0,0,1,0,0|2,0,0]=3 128 B7R1.3 BrC1CCCOC1 O33555 [0,0,0,1,0,0|2,0,0]=3 129 B7R1.3 BrC1CCOCC1 C-3420 [0,0,0,1,0,0|2,0,0]=3 130 B7R1.3 C=C1CCCNC1 Q59836 [0,0,0,1,0,0|2,0,1]=4 131 B7R1.3 C=C1CCCOC1 Q54979 [0,0,0,1,0,0|2,0,1]=4 132 B7R1.3 C=C1CCNCC1 H-8338 [0,0,0,1,0,0|2,0,1]=4 133 B7R1.3 C=C1CCNCC1 Q55164 [0,0,0,1,0,0|2,0,1]=4 134 B7R1.3 C=C1CCOCC1 L13714 [0,0,0,1,0,0|2,0,1]=4 135 B7R1.3 CC1=CCCNC1 I-9121 [0,0,0,1,0,0|2,0,1]=4 136 B7R1.3 CC1=CCNCC1 I-9119 [0,0,0,1,0,0|2,0,1]=4 137 B7R1.3 CC1CNCCO1 B-1061 [0,0,0,1,0,0|1,0,0]=2 138 B7R1.3 CC1CNCCO1 B-1061-1 [0,0,0,1,0,0|1,0,0]=2 139 B7R1.3 CC1COCCN1 B-1060 [0,0,0,1,0,0|2,0,0]=3 140 B7R1.3 CC1COCCN1 O28936 [0,0,0,1,0,0|2,0,0]=3 141 B7R1.3 C[C@@H]1CCCCN1 P40572 [0,0,0,1,0,0|1,0,0]=2 142 B7R1.3 C[C@@H]1CCCNC1 Q55825 [0,0,0,1,0,0|2,0,0]=3 143 B7R1.3 C[C@@H]1CNCCO1 B-1063 [0,0,0,1,0,0|1,0,0]=2 144 B7R1.3 C[C@@H]1CNCCO1 B-1063-1 [0,0,0,1,0,0|1,0,0]=2 145 B7R1.3 C[C@@H]1COCCN1 B-1058 [0,0,0,1,0,0|2,0,0]=3 146 B7R1.3 C[C@@H]1COCCN1 P34848 [0,0,0,1,0,0|2,0,0]=3 147 B7R1.3 C[C@H]1CCCCN1 P38855 [0,0,0,1,0,0|1,0,0]=2 148 B7R1.3 C[C@H]1CCCCN1 Q54716 [0,0,0,1,0,0|1,0,0]=2 149 B7R1.3 C[C@H]1CCCNC1 Q55824 [0,0,0,1,0,0|2,0,0]=3 150 B7R1.3 C[C@H]1CNCCO1 B-1062 [0,0,0,1,0,0|1,0,0]=2 151 B7R1.3 C[C@H]1CNCCO1 B-1062-1 [0,0,0,1,0,0|1,0,0]=2 152 B7R1.3 C[C@H]1COCCN1 B-1059 [0,0,0,1,0,0|2,0,0]=3 153 B7R1.3 C[C@H]1COCCN1 P42980 [0,0,0,1,0,0|2,0,0]=3 154 B7R1.3 ClC1CCCOC1 Q57646 [0,0,0,1,0,0|2,0,0]=3 155 B7R1.3 FC1CCCNC1 C-2254 [0,0,0,1,0,0|2,0,0]=3 156 B7R1.3 F[C@@H]1CCCNC1 G-5231 [0,0,0,1,0,0|2,0,0]=3 157 B7R1.3 F[C@H]1CCCNC1 C-2765 [0,0,0,1,0,0|2,0,0]=3 158 B7R1.3 IC1CCOCC1 C-3266 [0,0,0,1,0,0|2,0,0]=3 159 B7R1.3 N=C1NCCCO1 L19177 [0,0,0,1,0,0|2,0,1]=4 160 B7R1.3 NC1CCCOC1 I-9177 [0,0,0,1,0,0|2,0,0]=3 161 B7R1.3 NC1CCCOC1 Q56350 [0,0,0,1,0,0|2,0,0]=3 162 B7R1.3 NC1CCOCC1 B-1768 [0,0,0,1,0,0|2,0,0]=3 163 B7R1.3 NC1CCOCC1 G-5110 [0,0,0,1,0,0|2,0,0]=3 164 B7R1.3 NC1CCSCC1 O33298 [0,0,0,1,0,0|2,0,0]=3 165 B7R1.3 N[C@@H]1CCCNC1 I-9160 [0,0,0,1,0,0|2,0,0]=3 166 B7R1.3 N[C@@H]1CCCOC1 I-9746 [0,0,0,1,0,0|2,0,0]=3 167 B7R1.3 O=C1CCCNC1 A-184 [0,0,0,1,0,0|1,0,2]=4 168 B7R1.3 O=C1CCCOC1 G-6070 [0,0,0,1,0,0|1,0,2]=4 169 B7R1.3 O=C1CCCSC1 G-5937 [0,0,0,1,0,0|1,0,2]=4 170 B7R1.3 O=C1CCOCC1 B-1770 [0,0,0,1,0,0|1,0,2]=4 171 B7R1.3 O=C1CCSCC1 C-2949 [0,0,0,1,0,0|1,0,2]=4 172 B7R1.3 O=C1CNCCO1 O28295 [0,0,0,1,0,0|2,0,1]=4 173 B7R1.3 O=C1OCCCO1 P43743 [0,0,0,1,0,0|2,0,1]=4 174 B7R1.3 OC1C=CCOC1 Q63933 [0,0,0,1,0,0|1,0,2]=4 175 B7R1.3 OC1CCCOC1 G-6220 [0,0,0,1,0,0|1,0,0]=2 176 B7R1.3 OC1CCNCC1 Q52555 [0,0,0,1,0,0|1,0,0]=2 177 B7R1.3 OC1CCOCC1 B-1769 [0,0,0,1,0,0|1,0,0]=2 178 B7R1.3 OC1CCSCC1 Q69934 [0,0,0,1,0,0|1,0,0]=2 179 B7R1.3 O[C@@H]1C=CCOC1 Q63935 [0,0,0,1,0,0|1,0,2]=4 180 B7R1.3 O[C@@H]1CCCNC1 K12060 [0,0,0,1,0,0|1,0,0]=2 181 B7R1.3 O[C@@H]1CCCOC1 P44487 [0,0,0,1,0,0|1,0,0]=2 182 B7R1.3 O[C@H]1C=CCOC1 Q63934 [0,0,0,1,0,0|1,0,2]=4 183 B7R1.3 O[C@H]1CCCNC1 K12075 [0,0,0,1,0,0|1,0,0]=2 184 B7R1.3 O[C@H]1CCCNC1 L13549 [0,0,0,1,0,0|1,0,0]=2 185 B7R1.3 O[C@H]1CCCOC1 P51230 [0,0,0,1,0,0|1,0,0]=2 186 B7R1.3 SC1CCCNC1 L21541 [0,0,0,1,0,0|1,1,0]=3 187 B7R1.3 SC1CCCOC1 Q57701 [0,0,0,1,0,0|1,1,0]=3 188 B7R1.3 SC1CCNCC1 I-9049 [0,0,0,1,0,0|1,1,0]=3 189 B7R1.4 CC1CCNC1=O O30375 [0,0,0,1,0,0|1,0,2]=4 190 B7R1.4 CC1CCNC1C Q61659 [0,0,0,1,0,0|2,0,0]=3 191 B7R1.4 CC1CNCC1C O33388 [0,0,0,1,0,0|2,0,0]=3 192 B7R1.4 CC1CNCC1F Q54416 [0,0,0,1,0,0|2,0,0]=3 193 B7R1.4 CC1CNCC1O Q59312 [0,0,0,1,0,0|1,0,0]=2 194 B7R1.4 CN1CCCC1=N Q59266 [0,0,0,1,0,0|2,0,1]=4 195 B7R1.4 C[C@@H]1CCC[C@@H]1N Q53279 [0,0,0,1,0,0|1,0,0]=2 196 B7R1.4 C[C@@H]1CCC[C@@H]1N Q53280 [0,0,0,1,0,0|1,0,0]=2 197 B7R1.4 C[C@@H]1CCNC1=O Q61716 [0,0,0,1,0,0|1,0,2]=4 198 B7R1.4 C[C@@H]1CNC[C@@H]1F Q56053 [0,0,0,1,0,0|2,0,0]=3 199 B7R1.4 C[C@@H]1CNC[C@@H]1F Q56054 [0,0,0,1,0,0|2,0,0]=3 200 B7R1.4 C[C@@H]1CNC[C@@H]1N Q61701 [0,0,0,1,0,0|2,0,0]=3 201 B7R1.4 C[C@@H]1CNC[C@@H]1N Q61702 [0,0,0,1,0,0|2,0,0]=3 202 B7R1.4 C[C@@H]1CNC[C@@H]1O L22286 [0,0,0,1,0,0|1,0,0]=2 203 B7R1.4 C[C@@H]1CNC[C@@H]1O Q55495 [0,0,0,1,0,0|1,0,0]=2 204 B7R1.4 C[C@@H]1CNC[C@H]1O L22285 [0,0,0,1,0,0|1,0,0]=2 205 B7R1.4 C[C@@H]1CNC[C@H]1O Q55494 [0,0,0,1,0,0|1,0,0]=2 206 B7R1.4 C[C@@H]1COC[C@H]1N F-4262 [0,0,0,1,0,0|2,0,0]=3 207 B7R1.4 C[C@@H]1NCC[C@@H]1O Q64145 [0,0,0,1,0,0|1,0,0]=2 208 B7R1.4 C[C@@H]1NCC[C@H]1O Q64143 [0,0,0,1,0,0|1,0,0]=2 209 B7R1.4 C[C@H]1CCC[C@@H]1N Q53277 [0,0,0,1,0,0|1,0,0]=2 210 B7R1.4 C[C@H]1CCC[C@@H]1N Q53278 [0,0,0,1,0,0|1,0,0]=2 211 B7R1.4 C[C@H]1CCNC1=O Q61658 [0,0,0,1,0,0|1,0,2]=4 212 B7R1.4 C[C@H]1COC[C@@H]1N L13875 [0,0,0,1,0,0|2,0,0]=3 213 B7R1.4 C[C@H]1NCC[C@@H]1O Q64142 [0,0,0,1,0,0|1,0,0]=2 214 B7R1.4 C[C@H]1NCC[C@H]1O Q64144 [0,0,0,1,0,0|1,0,0]=2 215 B7R1.4 FC1CNCC1F Q57411 [0,0,0,1,0,0|3,0,0]=4 216 B7R1.4 F[C@@H]1CNC[C@H]1F Q63594 [0,0,0,1,0,0|3,0,0]=4 217 B7R1.4 F[C@H]1CNC[C@@H]1F K12040 [0,0,0,1,0,0|3,0,0]=4 218 B7R1.4 F[C@H]1CNC[C@@H]1F Q56486 [0,0,0,1,0,0|3,0,0]=4 219 B7R1.4 F[C@H]1CNC[C@H]1F G-6496 [0,0,0,1,0,0|3,0,0]=4 220 B7R1.4 NC1CCCC1Cl Q54474 [0,0,0,1,0,0|2,0,0]=3 221 B7R1.4 NC1CCCC1F Q54472 [0,0,0,1,0,0|2,0,0]=3 222 B7R1.4 NC1CCCC1F Q54473 [0,0,0,1,0,0|2,0,0]=3 223 B7R1.4 NC1CCCC1O F-4442 [0,0,0,1,0,0|1,0,0]=2 224 B7R1.4 N[C@@H]1CCC[C@@H]1F Q61724 [0,0,0,1,0,0|2,0,0]=3 225 B7R1.4 N[C@@H]1CCC[C@@H]1F Q61725 [0,0,0,1,0,0|2,0,0]=3 226 B7R1.4 N[C@@H]1CCC[C@@H]1O F-4443 [0,0,0,1,0,0|1,0,0]=2 227 B7R1.4 N[C@@H]1CCC[C@@H]1O F-4445 [0,0,0,1,0,0|1,0,0]=2 228 B7R1.4 N[C@@H]1CCC[C@H]1F O32983 [0,0,0,1,0,0|2,0,0]=3 229 B7R1.4 N[C@@H]1CCC[C@H]1F Q61721 [0,0,0,1,0,0|2,0,0]=3 230 B7R1.4 N[C@@H]1CCC[C@H]1F Q61728 [0,0,0,1,0,0|2,0,0]=3 231 B7R1.4 N[C@@H]1CCC[C@H]1N L21303 [0,0,0,1,0,0|2,0,0]=3 232 B7R1.4 N[C@@H]1CCC[C@H]1N Q61965 [0,0,0,1,0,0|2,0,0]=3 233 B7R1.4 N[C@@H]1CCC[C@H]1O F-4450 [0,0,0,1,0,0|1,0,0]=2 234 B7R1.4 N[C@@H]1CCC[C@H]1O I-9382 [0,0,0,1,0,0|1,0,0]=2 235 B7R1.4 N[C@@H]1COC[C@@H]1N G-7625 [0,0,0,1,0,0|3,0,0]=4 236 B7R1.4 N[C@@H]1COC[C@@H]1N L14037 [0,0,0,1,0,0|3,0,0]=4 237 B7R1.4 N[C@@H]1COC[C@H]1N G-7624 [0,0,0,1,0,0|3,0,0]=4 238 B7R1.4 N[C@@H]1COC[C@H]1O H-8080 [0,0,0,1,0,0|2,0,0]=3 239 B7R1.4 N[C@H]1CCC[C@@H]1F Q61723 [0,0,0,1,0,0|2,0,0]=3 240 B7R1.4 N[C@H]1CCC[C@@H]1O F-4444 [0,0,0,1,0,0|1,0,0]=2 241 B7R1.4 N[C@H]1CCC[C@@H]1O F-4447 [0,0,0,1,0,0|1,0,0]=2 242 B7R1.4 N[C@H]1CCC[C@@H]1O F-4448 [0,0,0,1,0,0|1,0,0]=2 243 B7R1.4 N[C@H]1CCC[C@H]1F Q61722 [0,0,0,1,0,0|2,0,0]=3 244 B7R1.4 N[C@H]1CCC[C@H]1F Q61726 [0,0,0,1,0,0|2,0,0]=3 245 B7R1.4 N[C@H]1CCC[C@H]1F Q61727 [0,0,0,1,0,0|2,0,0]=3 246 B7R1.4 N[C@H]1CCC[C@H]1N O33475 [0,0,0,1,0,0|2,0,0]=3 247 B7R1.4 N[C@H]1CCC[C@H]1O F-4446 [0,0,0,1,0,0|1,0,0]=2 248 B7R1.4 N[C@H]1CCC[C@H]1O F-4449 [0,0,0,1,0,0|1,0,0]=2 249 B7R1.4 N[C@H]1CCC[C@H]1O Q52258 [0,0,0,1,0,0|1,0,0]=2 250 B7R1.4 N[C@H]1COC[C@@H]1N G-6892 [0,0,0,1,0,0|3,0,0]=4 251 B7R1.4 N[C@H]1COC[C@@H]1N G-7623 [0,0,0,1,0,0|3,0,0]=4 252 B7R1.4 N[C@H]1COC[C@@H]1O F-4615 [0,0,0,1,0,0|2,0,0]=3 253 B7R1.4 N[C@H]1COC[C@@H]1O H-8081 [0,0,0,1,0,0|2,0,0]=3 254 B7R1.4 N[C@H]1COC[C@H]1O L22268 [0,0,0,1,0,0|2,0,0]=3 255 B7R1.4 N[C@H]1COC[C@H]1O P45710 [0,0,0,1,0,0|2,0,0]=3 256 B7R1.4 O=C1CCCC1O Q61720 [0,0,0,1,0,0|1,0,1]=3 257 B7R1.4 O=C1NCCC1O D-2532 [0,0,0,1,0,0|2,0,1]=4 258 B7R1.4 O=C1NCC[C@@H]1O F-4184 [0,0,0,1,0,0|2,0,1]=4 259 B7R1.4 O=C1NCC[C@H]1O O30124 [0,0,0,1,0,0|2,0,1]=4 260 B7R1.4 OC1CCC=C1Br O29401 [0,0,0,1,0,0|1,0,2]=4 261 B7R1.4 OC1CCCC1F L19027 [0,0,0,1,0,0|1,0,0]=2 262 B7R1.4 O[C@@H]1CCC[C@H]1F Q62078 [0,0,0,1,0,0|1,0,0]=2 263 B7R1.4 O[C@@H]1CNC[C@@H]1F P47689 [0,0,0,1,0,0|2,0,0]=3 264 B7R1.4 O[C@@H]1CNC[C@H]1F L22087 [0,0,0,1,0,0|2,0,0]=3 265 B7R1.4 O[C@@H]1CNC[C@H]1O I-9041 [0,0,0,1,0,0|2,0,0]=3 266 B7R1.4 O[C@H]1CCC[C@@H]1O Q61543 [0,0,0,1,0,0|1,0,0]=2 267 B7R1.4 O[C@H]1CNC[C@@H]1F G-6498 [0,0,0,1,0,0|2,0,0]=3 268 B7R1.4 O[C@H]1CNC[C@@H]1F L18425 [0,0,0,1,0,0|2,0,0]=3 269 B7R1.4 O[C@H]1CNC[C@@H]1O G-7319 [0,0,0,1,0,0|2,0,0]=3 270 B7R1.4 O[C@H]1CNC[C@@H]1O I-9326 [0,0,0,1,0,0|2,0,0]=3 271 B7R1.4 O[C@H]1CNC[C@@H]1O O33609 [0,0,0,1,0,0|2,0,0]=3 272 B7R1.4 O[C@H]1CNC[C@H]1F L14907 [0,0,0,1,0,0|2,0,0]=3 273 B7R1.4 O[C@H]1CNC[C@H]1F Q64937 [0,0,0,1,0,0|2,0,0]=3 274 B7R1.4 O[C@H]1CNC[C@H]1O G-6497 [0,0,0,1,0,0|2,0,0]=3 275 B7R1.4 O[C@H]1CNC[C@H]1O H-8791 [0,0,0,1,0,0|2,0,0]=3 276 B7R1.4 O[C@H]1COC[C@H]1O G-7040 [0,0,0,1,0,0|2,0,0]=3 277 B7R1.6 BrCC=C1CCC1 P45894 [0,0,0,1,0,0|1,0,2]=4 278 B7R1.6 BrCCC1CCO1 Q56185 [0,0,0,1,0,0|1,0,0]=2 279 B7R1.6 BrCCC1COC1 Q62635 [0,0,0,1,0,0|2,0,0]=3 280 B7R1.6 BrCCN1CCC1 P49207 [0,0,0,1,0,0|2,0,0]=3 281 B7R1.6 C#CCN1CCC1 P48093 [0,0,0,1,0,0|2,0,1]=4 282 B7R1.6 C=CCC1CNC1 H-8202 [0,0,0,1,0,0|2,0,1]=4 283 B7R1.6 C=CCN1CCC1 P45061 [0,0,0,1,0,0|2,0,1]=4 284 B7R1.6 CCCC1CNC1 P43152 [0,0,0,1,0,0|2,0,0]=3 285 B7R1.6 CCCC1CNC1 P44924 [0,0,0,1,0,0|2,0,0]=3 286 B7R1.6 CCNC1CCC1 P34707 [0,0,0,1,0,0|2,0,0]=3 287 B7R1.6 CCNC1CCC1 P45089 [0,0,0,1,0,0|2,0,0]=3 288 B7R1.6 CCNC1CNC1 M22745 [0,0,0,1,0,0|3,0,0]=4 289 B7R1.6 CCNC1CNC1 P45767 [0,0,0,1,0,0|3,0,0]=4 290 B7R1.6 CCNC1COC1 G-6617 [0,0,0,1,0,0|3,0,0]=4 291 B7R1.6 CCOC1CNC1 O28975 [0,0,0,1,0,0|3,0,0]=4 292 B7R1.6 CCOC1CNC1 P44497 [0,0,0,1,0,0|3,0,0]=4 293 B7R1.6 CCSC1CNC1 P46826 [0,0,0,1,0,0|3,0,0]=4 294 B7R1.6 CCSC1CNC1 P48713 [0,0,0,1,0,0|3,0,0]=4 295 B7R1.6 CNCC1CCC1 P42057 [0,0,0,1,0,0|2,0,0]=3 296 B7R1.6 CNCC1CCC1 P44415 [0,0,0,1,0,0|2,0,0]=3 297 B7R1.6 CNCC1CCO1 Q55851 [0,0,0,1,0,0|1,0,0]=2 298 B7R1.6 CNCC1CNC1 P43156 [0,0,0,1,0,0|3,0,0]=4 299 B7R1.6 CNCC1CNC1 P44879 [0,0,0,1,0,0|3,0,0]=4 300 B7R1.6 CNCC1COC1 G-7362 [0,0,0,1,0,0|3,0,0]=4 301 B7R1.6 COCC1CCN1 I-9954 [0,0,0,1,0,0|2,0,0]=3 302 B7R1.6 COCC1CCN1 Q56488 [0,0,0,1,0,0|2,0,0]=3 303 B7R1.6 COCC1CCN1 Q56489 [0,0,0,1,0,0|2,0,0]=3 304 B7R1.6 COCC1CNC1 C-2240 [0,0,0,1,0,0|3,0,0]=4 305 B7R1.6 COCC1CNC1 L13685 [0,0,0,1,0,0|3,0,0]=4 306 B7R1.6 COC[C@@H]1CCN1 G-6501 [0,0,0,1,0,0|2,0,0]=3 307 B7R1.6 COC[C@@H]1CCN1 L13813 [0,0,0,1,0,0|2,0,0]=3 308 B7R1.6 COC[C@H]1CCN1 G-7976 [0,0,0,1,0,0|2,0,0]=3 309 B7R1.6 ClCOC1CCC1 P49912 [0,0,0,1,0,0|2,0,0]=3 310 B7R1.6 FCCC1CNC1 P50454 [0,0,0,1,0,0|2,0,0]=3 311 B7R1.6 ICCC1CCO1 Q56184 [0,0,0,1,0,0|1,0,0]=2 312 B7R1.6 ICCC1COC1 Q62634 [0,0,0,1,0,0|2,0,0]=3 313 B7R1.6 N#CCC1CCC1 P38067 [0,0,0,1,0,0|1,0,1]=3 314 B7R1.6 N#CCC1CNC1 F-4847 [0,0,0,1,0,0|2,0,1]=4 315 B7R1.6 N#CCC1CNC1 I-9990 [0,0,0,1,0,0|2,0,1]=4 316 B7R1.6 N#CCC1COC1 M23104 [0,0,0,1,0,0|2,0,1]=4 317 B7R1.6 N#CCN1CCC1 P45336 [0,0,0,1,0,0|2,0,1]=4 318 B7R1.6 NCCC1CCC1 L18182 [0,0,0,1,0,0|1,0,0]=2 319 B7R1.6 NCCC1CCC1 P48448 [0,0,0,1,0,0|1,0,0]=2 320 B7R1.6 NCCC1CCO1 O32973 [0,0,0,1,0,0|1,0,0]=2 321 B7R1.6 NCCC1CNC1 P48388 [0,0,0,1,0,0|2,0,0]=3 322 B7R1.6 NCCC1COC1 P49100 [0,0,0,1,0,0|2,0,0]=3 323 B7R1.6 NCCC1CSC1 Q58816 [0,0,0,1,0,0|2,0,0]=3 324 B7R1.6 NCCN1CCC1 L14069 [0,0,0,1,0,0|2,0,0]=3 325 B7R1.6 NCC[C@@H]1CCO1 Q56188 [0,0,0,1,0,0|1,0,0]=2 326 B7R1.6 NCC[C@H]1CCO1 Q56187 [0,0,0,1,0,0|1,0,0]=2 327 B7R1.6 NNCC1CCC1 L14190 [0,0,0,1,0,0|2,0,0]=3 328 B7R1.6 O=C=NC1CCC1 P45443 [0,0,0,1,0,0|1,0,2]=4 329 B7R1.6 O=CCC1CCC1 P45355 [0,0,0,1,0,0|0,0,2]=3 330 B7R1.6 O=CCC1CCO1 Q56186 [0,0,0,1,0,0|1,0,1]=3 331 B7R1.6 O=CCN1CCC1 P47882 [0,0,0,1,0,0|1,0,2]=4 332 B7R1.6 OCC=C1CCC1 P45610 [0,0,0,1,0,0|0,0,2]=3 333 B7R1.6 OCCC1CCC1 P34706 [0,0,0,1,0,0|0,0,0]=1 334 B7R1.6 OCCC1CCO1 F-4763 [0,0,0,1,0,0|1,0,0]=2 335 B7R1.6 OCCC1CNC1 L21357 [0,0,0,1,0,0|1,0,0]=2 336 B7R1.6 OCCC1CNC1 P44027 [0,0,0,1,0,0|1,0,0]=2 337 B7R1.6 OCCC1COC1 G-5285 [0,0,0,1,0,0|1,0,0]=2 338 B7R1.6 OCCC1CSC1 Q58815 [0,0,0,1,0,0|1,0,0]=2 339 B7R1.6 OCCN1CCC1 P44493 [0,0,0,1,0,0|1,0,0]=2 340 B7R1.6 OCC[C@@H]1CCO1 Q56146 [0,0,0,1,0,0|1,0,0]=2 341 B7R1.6 OCC[C@H]1CCO1 Q56145 [0,0,0,1,0,0|1,0,0]=2 342 B7R1.6 S=C=NC1CCC1 P45411 [0,0,0,1,0,0|1,1,1]=4 343 B7R1.7 CCCNC1CC1 P36383 [0,0,0,1,0,0|2,0,0]=3 344 B7R1.7 CCCNC1CC1 P41552 [0,0,0,1,0,0|2,0,0]=3 345 B7R1.7 CNCCC1CC1 P40835 [0,0,0,1,0,0|2,0,0]=3 346 B7R1.7 NCCNC1CC1 O30035 [0,0,0,1,0,0|2,0,0]=3 347 B7R1.7 OCC#CC1CC1 L14728 [0,0,0,1,0,0|0,0,2]=3 348 B7R1.7 OCCNC1CC1 P38598 [0,0,0,1,0,0|1,0,0]=2 349 B7R1.8 CC1CCC1CO P48346 [0,0,0,1,0,0|0,0,0]=1 350 B7R1.8 CC1NCC1C#N P50215 [0,0,0,1,0,0|2,0,1]=4 351 B7R1.8 CC1OCC1CO Q56093 [0,0,0,1,0,0|1,0,0]=2 352 B7R1.8 CN1CCC1CN L18103 [0,0,0,1,0,0|2,0,0]=3 353 B7R1.8 CN1CCC1CN P43972 [0,0,0,1,0,0|2,0,0]=3 354 B7R1.8 CN1CCC1CO P47720 [0,0,0,1,0,0|1,0,0]=2 355 B7R1.8 CN1CC[C@@H]1CN L18105 [0,0,0,1,0,0|2,0,0]=3 356 B7R1.8 CN1CC[C@@H]1CN P43970 [0,0,0,1,0,0|2,0,0]=3 357 B7R1.8 CN1CC[C@@H]1CO P46629 [0,0,0,1,0,0|1,0,0]=2 358 B7R1.8 CN1CC[C@H]1CN L18104 [0,0,0,1,0,0|2,0,0]=3 359 B7R1.8 CN1CC[C@H]1CN P43971 [0,0,0,1,0,0|2,0,0]=3 360 B7R1.8 CN1CC[C@H]1CO P44139 [0,0,0,1,0,0|1,0,0]=2 361 B7R1.8 COC1CCC1=O P45632 [0,0,0,1,0,0|1,0,2]=4 362 B7R1.8 CO[C@@H]1CC[C@@H]1N P50889 [0,0,0,1,0,0|2,0,0]=3 363 B7R1.8 CO[C@@H]1CC[C@@H]1N P50890 [0,0,0,1,0,0|2,0,0]=3 364 B7R1.8 CO[C@@H]1CC[C@H]1N P46967 [0,0,0,1,0,0|2,0,0]=3 365 B7R1.8 CO[C@@H]1CC[C@H]1N P50886 [0,0,0,1,0,0|2,0,0]=3 366 B7R1.8 CO[C@H]1CC[C@@H]1N P50517 [0,0,0,1,0,0|2,0,0]=3 367 B7R1.8 CO[C@H]1CC[C@H]1N P50488 [0,0,0,1,0,0|2,0,0]=3 368 B7R1.8 NCC1CCC1F P47834 [0,0,0,1,0,0|2,0,0]=3 369 B7R1.8 NCC1CCC1F P50566 [0,0,0,1,0,0|2,0,0]=3 370 B7R1.8 O=C1CCC1CO L18510 [0,0,0,1,0,0|1,0,1]=3 371 B7R1.8 OCC1CCC1F P47249 [0,0,0,1,0,0|1,0,0]=2 372 B7R1.8 OCC1CCC1O P50851 [0,0,0,1,0,0|1,0,0]=2 373 B7R1.8 OC[C@@H]1CC[C@H]1O P50820 [0,0,0,1,0,0|1,0,0]=2 374 B7R1.8 OC[C@H]1CC[C@H]1O P48230 [0,0,0,1,0,0|1,0,0]=2 375 B7R1.9 OC[C@H]1C[C@H]1CO L22279 [0,0,0,1,0,0|1,0,0]=2 376 B7R1.24 C1CNCCOC1 O28784 [0,0,0,1,0,0|1,0,0]=2 377 B4R0.2 CCCNN O30752 [2,0,0,0,0,0|2,0,0]=4 378 B4R0.2 CNCCBr O34465 [2,0,0,0,0,0|2,0,0]=4 379 B4R0.2 COCCI O28025 [2,0,0,0,0,0|2,0,0]=4 380 B4R0.2 CSCCBr O31085 [2,0,0,0,0,0|2,0,0]=4 381 B4R0.2 CSCCN P36563 [2,0,0,0,0,0|2,0,0]=4 382 B4R0.2 NCCCS A-986 [2,0,0,0,0,0|1,1,0]=4 383 B4R0.2 NCCCS M15465 [2,0,0,0,0,0|1,1,0]=4 384 B6R0.1 C#CC(O)CCC P42817 [1,1,0,0,0,0|0,0,2]=4 385 B6R0.1 CCC(S)CCO O29430 [1,1,0,0,0,0|0,0,0]=2 386 B6R0.1 CCC[C@@H](N)CO P35977 [1,1,0,0,0,0|0,0,0]=2 387 B6R0.1 CCC[C@H](N)CO P39535 [1,1,0,0,0,0|0,0,0]=2 388 B6R0.1 CCN(C)CCO Q66070 [1,1,0,0,0,0|1,0,0]=3 389 B6R0.1 CCNC(=O)CO O31312 [1,1,0,0,0,0|1,0,1]=4 390 B6R0.4 C#CCCC(C)O L18987 [1,1,0,0,0,0|0,0,2]=4 391 B6R0.4 CC(Br)CCC#N L20214 [1,1,0,0,0,0|1,0,1]=4 392 B6R0.4 CC(C)CCON L20789 [1,1,0,0,0,0|2,0,0]=4 393 B6R0.4 CC(C)NCCCl O34399 [1,1,0,0,0,0|2,0,0]=4 394 B6R0.4 CCNCC(=O)O P37534 [1,1,0,0,0,0|1,0,1]=4 395 B6R0.4 CN(C)CCCBr O34500 [1,1,0,0,0,0|2,0,0]=4 396 B6R0.4 CNCCC(=O)O P36779 [1,1,0,0,0,0|1,0,1]=4 397 B6R0.4 CNCCC(=O)O P39205 [1,1,0,0,0,0|1,0,1]=4 398 B6R0.4 CNCCC(C)O P38146 [1,1,0,0,0,0|1,0,0]=3 399 B8R0.1 CCCCN(C)CCO Q66068 [0,2,0,0,0,0|0,0,0]=2 400 B8R0.1 CCCNC(=O)CCN P42190 [0,2,0,0,0,0|1,0,1]=4 401 B8R0.4 C#CCCCCCCI Q66057 [0,2,0,0,0,0|1,0,0]=3 402 B8R0.4 ClCCCOCCCCl M15578 [0,2,0,0,0,0|1,0,0]=3 403 B8R0.4 NCCCCCCCO P40165 [0,2,0,0,0,0|0,0,0]=2 404 B8R0.4 OCCCNCCCO F-4132 [0,2,0,0,0,0|0,0,0]=2 405 B8R0.4 OCCCNCCCO O29405 [0,2,0,0,0,0|0,0,0]=2 406 B8R0.4 OCCCOCCCO P39459 [0,2,0,0,0,0|0,0,0]=2 407 B8R0.4 [N-]=[N+]=NCCCCCN P41116 [0,2,0,0,0,0|2,0,0]=4 408 B8R0.4 [N-]=[N+]=NCCCCCN P41453 [0,2,0,0,0,0|2,0,0]=4 409 B8R0.4 [N-]=[N+]=NCCCCCO P40624 [0,2,0,0,0,0|1,0,0]=3 410 B8R0.4 [N-]=[N+]=NCCOCCO P41419 [0,2,0,0,0,0|2,0,0]=4 411 B8R0.6 CNCCCC(=O)OC H-8710 [0,2,0,0,0,0|1,0,1]=4 412 B8R0.6 COC(=O)CCCCN P38983 [0,2,0,0,0,0|1,0,1]=4 413 B8R0.7 C#CCCCCC(=O)O P38906 [0,2,0,0,0,0|0,0,2]=4 414 B8R0.7 CCNCCCN(C)C G-7104 [0,2,0,0,0,0|2,0,0]=4 415 B8R0.7 CN(C)CCCCCN P38845 [0,2,0,0,0,0|1,0,0]=3 416 B8R0.7 CN(C)CCOCCN P35778 [0,2,0,0,0,0|2,0,0]=4 417 B8R0.7 CNCCCCC(=O)O P35932 [0,2,0,0,0,0|0,0,1]=3 418 B8R0.7 NCCOCCC(=O)O P41214 [0,2,0,0,0,0|1,0,1]=4 419 B8R0.8 C[Se]CC[C@H](N)C(=O)O P38844 [0,2,0,0,0,0|1,0,1]=4 420 B8R0.8 N[C@H](CCCO)C(=O)O P37057 [0,2,0,0,0,0|1,0,1]=4 421 B8R0.9 CCC(C)OCC(=O)O P34749 [0,2,0,0,0,0|1,0,1]=4 422 B8R0.5 CCOC(=O)C[C@@H](C)O P39378 [0,2,0,0,0,0|1,0,1]=4 423 B8R0.5 COCC(O)CC(=O)O F-4460 [0,2,0,0,0,0|1,0,1]=4 424 B8R0.21 CCCCCS(N)(=O)=O P44483 [0,2,0,0,0,0|1,0,1]=4 425 B8R0.28 CC(C)CNCC(=O)O P38861 [0,2,0,0,0,0|1,0,1]=4 426 B8R0.22 CCCC(CBr)CCC O29610 [0,2,0,0,0,0|1,0,0]=3 427 B6R1.1 C1=CCOCC1 G-7030 [1,0,0,1,0,0|0,0,2]=4 428 B6R1.2 BrC1CCOC1 C-3309 [1,0,0,1,0,0|2,0,0]=4 429 B6R1.2 CC1CCCN1 Q61737 [1,0,0,1,0,0|1,0,0]=3 430 B6R1.2 CC1CCNC1 M22664 [1,0,0,1,0,0|1,0,0]=3 431 B6R1.2 C[C@@H]1CCCN1 L14631 [1,0,0,1,0,0|1,0,0]=3 432 B6R1.2 C[C@@H]1CCNC1 L13628 [1,0,0,1,0,0|1,0,0]=3 433 B6R1.2 C[C@H]1CCNC1 L14084 [1,0,0,1,0,0|1,0,0]=3 434 B6R1.2 ClC1CCNC1 P42791 [1,0,0,1,0,0|2,0,0]=4 435 B6R1.2 FC1CCNC1 A-349 [1,0,0,1,0,0|2,0,0]=4 436 B6R1.2 FC1CCNC1 C-2208 [1,0,0,1,0,0|2,0,0]=4 437 B6R1.2 FC1CCNC1 P51370 [1,0,0,1,0,0|2,0,0]=4 438 B6R1.2 F[C@@H]1CCNC1 O33274 [1,0,0,1,0,0|2,0,0]=4 439 B6R1.2 F[C@H]1CCNC1 A-348 [1,0,0,1,0,0|2,0,0]=4 440 B6R1.2 F[C@H]1CCNC1 L22005 [1,0,0,1,0,0|2,0,0]=4 441 B6R1.2 IC1CCCC1 I-9679 [1,0,0,1,0,0|1,0,0]=3 442 B6R1.2 IC1CCOC1 C-3308 [1,0,0,1,0,0|2,0,0]=4 443 B6R1.2 I[C@@H]1CCOC1 G-5348 [1,0,0,1,0,0|2,0,0]=4 444 B6R1.2 I[C@H]1CCOC1 G-5349 [1,0,0,1,0,0|2,0,0]=4 445 B6R1.2 NC1CCOC1 B-1171 [1,0,0,1,0,0|2,0,0]=4 446 B6R1.2 NC1CCOC1 P39935 [1,0,0,1,0,0|2,0,0]=4 447 B6R1.2 NN1CCCC1 M23462 [1,0,0,1,0,0|2,0,0]=4 448 B6R1.2 N[C@@H]1CCOC1 F-4072 [1,0,0,1,0,0|2,0,0]=4 449 B6R1.2 N[C@@H]1CCOC1 G-5144 [1,0,0,1,0,0|2,0,0]=4 450 B6R1.2 N[C@H]1CCOC1 F-4071 [1,0,0,1,0,0|2,0,0]=4 451 B6R1.2 N[C@H]1CCOC1 G-5145 [1,0,0,1,0,0|2,0,0]=4 452 B6R1.2 OC1C=CCC1 Q62924 [1,0,0,1,0,0|0,0,2]=4 453 B6R1.2 OC1CCNC1 G-5959 [1,0,0,1,0,0|1,0,0]=3 454 B6R1.2 OC1CCNC1 I-9548 [1,0,0,1,0,0|1,0,0]=3 455 B6R1.2 OC1CCOC1 C-3328 [1,0,0,1,0,0|1,0,0]=3 456 B6R1.2 O[C@@H]1CCOC1 G-5347 [1,0,0,1,0,0|1,0,0]=3 457 B6R1.2 O[C@H]1CCOC1 G-6766 [1,0,0,1,0,0|1,0,0]=3 458 B6R1.3 BrCCC1CC1 O33551 [1,0,0,1,0,0|1,0,0]=3 459 B6R1.3 BrCC[C@H]1CO1 P51572 [1,0,0,1,0,0|1,0,0]=3 460 B6R1.3 CCNC1CC1 P36705 [1,0,0,1,0,0|1,0,0]=3 461 B6R1.3 CNCC1CC1 L13551 [1,0,0,1,0,0|1,0,0]=3 462 B6R1.3 ICCC1CC1 I-9916 [1,0,0,1,0,0|1,0,0]=3 463 B6R1.3 N#CCC1CC1 O33326 [1,0,0,1,0,0|1,0,1]=4 464 B6R1.3 NCCC1CC1 G-5988 [1,0,0,1,0,0|1,0,0]=3 465 B6R1.3 NCCN1CC1 P45652 [1,0,0,1,0,0|2,0,0]=4 466 B6R1.3 NNCC1CC1 H-8575 [1,0,0,1,0,0|2,0,0]=4 467 B6R1.3 NNCC1CC1 I-9542 [1,0,0,1,0,0|2,0,0]=4 468 B6R1.3 NNCC1CC1 K12084 [1,0,0,1,0,0|2,0,0]=4 469 B6R1.3 NNCC1CC1 L13728 [1,0,0,1,0,0|2,0,0]=4 470 B6R1.3 OCCC1CC1 G-5984 [1,0,0,1,0,0|0,0,0]=2 471 B6R1.4 CC1CCC1=O P47956 [1,0,0,1,0,0|0,0,2]=4 472 B6R1.4 CC1CCC1N P44937 [1,0,0,1,0,0|1,0,0]=3 473 B6R1.4 CC1CCC1N P47065 [1,0,0,1,0,0|1,0,0]=3 474 B6R1.4 CC1CCC1O L20058 [1,0,0,1,0,0|0,0,0]=2 475 B6R1.4 CC1CNC1C P45190 [1,0,0,1,0,0|1,0,0]=3 476 B6R1.4 CC1CNC1C P46961 [1,0,0,1,0,0|1,0,0]=3 477 B6R1.4 CC1NCC1F P47439 [1,0,0,1,0,0|2,0,0]=4 478 B6R1.4 CC1NCC1F P47451 [1,0,0,1,0,0|2,0,0]=4 479 B6R1.4 CC1NCC1O P44849 [1,0,0,1,0,0|1,0,0]=3 480 B6R1.4 CC1NCC1O P44851 [1,0,0,1,0,0|1,0,0]=3 481 B6R1.4 CC1OCC1Br Q56171 [1,0,0,1,0,0|2,0,0]=4 482 B6R1.4 CC1OCC1I Q56172 [1,0,0,1,0,0|2,0,0]=4 483 B6R1.4 CC1OCC1N Q56170 [1,0,0,1,0,0|2,0,0]=4 484 B6R1.4 CC1OCC1O L18037 [1,0,0,1,0,0|1,0,0]=3 485 B6R1.4 C[C@@H]1NCC1F P50109 [1,0,0,1,0,0|2,0,0]=4 486 B6R1.4 C[C@@H]1NCC1O P47321 [1,0,0,1,0,0|1,0,0]=3 487 B6R1.4 C[C@@H]1NC[C@@H]1F P50877 [1,0,0,1,0,0|2,0,0]=4 488 B6R1.4 C[C@@H]1NC[C@@H]1F P50878 [1,0,0,1,0,0|2,0,0]=4 489 B6R1.4 C[C@@H]1NC[C@@H]1O P46638 [1,0,0,1,0,0|1,0,0]=3 490 B6R1.4 C[C@@H]1NC[C@@H]1O P48644 [1,0,0,1,0,0|1,0,0]=3 491 B6R1.4 C[C@@H]1NC[C@@H]1O P48652 [1,0,0,1,0,0|1,0,0]=3 492 B6R1.4 C[C@@H]1NC[C@@H]1O P50879 [1,0,0,1,0,0|1,0,0]=3 493 B6R1.4 C[C@@H]1NC[C@H]1F P50880 [1,0,0,1,0,0|2,0,0]=4 494 B6R1.4 C[C@@H]1NC[C@H]1F P50881 [1,0,0,1,0,0|2,0,0]=4 495 B6R1.4 C[C@@H]1NC[C@H]1O P46945 [1,0,0,1,0,0|1,0,0]=3 496 B6R1.4 C[C@@H]1NC[C@H]1O P48643 [1,0,0,1,0,0|1,0,0]=3 497 B6R1.4 C[C@@H]1NC[C@H]1O P48651 [1,0,0,1,0,0|1,0,0]=3 498 B6R1.4 C[C@@H]1OC[C@H]1O Q56119 [1,0,0,1,0,0|1,0,0]=3 499 B6R1.4 C[C@H]1NCC1F P50084 [1,0,0,1,0,0|2,0,0]=4 500 B6R1.4 C[C@H]1NCC1O P50087 [1,0,0,1,0,0|1,0,0]=3 501 B6R1.4 C[C@H]1NC[C@@H]1F P50079 [1,0,0,1,0,0|2,0,0]=4 502 B6R1.4 C[C@H]1NC[C@@H]1O P50080 [1,0,0,1,0,0|1,0,0]=3 503 B6R1.4 C[C@H]1NC[C@H]1F P50081 [1,0,0,1,0,0|2,0,0]=4 504 B6R1.4 C[C@H]1NC[C@H]1O P50082 [1,0,0,1,0,0|1,0,0]=3 505 B6R1.4 C[C@H]1NC[C@H]1O P50119 [1,0,0,1,0,0|1,0,0]=3 506 B6R1.4 C[C@H]1OC[C@H]1O Q56118 [1,0,0,1,0,0|1,0,0]=3 507 B6R1.4 NC1CCC1F P47239 [1,0,0,1,0,0|2,0,0]=4 508 B6R1.4 NC1CCC1F Q56123 [1,0,0,1,0,0|2,0,0]=4 509 B6R1.4 NC1CCC1O P45290 [1,0,0,1,0,0|1,0,0]=3 510 B6R1.4 NC1CCC1O P48134 [1,0,0,1,0,0|1,0,0]=3 511 B6R1.4 N[C@@H]1CC[C@@H]1O P43811 [1,0,0,1,0,0|1,0,0]=3 512 B6R1.4 N[C@@H]1CC[C@@H]1O P45279 [1,0,0,1,0,0|1,0,0]=3 513 B6R1.4 N[C@@H]1CC[C@@H]1O P45323 [1,0,0,1,0,0|1,0,0]=3 514 B6R1.4 N[C@@H]1CC[C@H]1O P45283 [1,0,0,1,0,0|1,0,0]=3 515 B6R1.4 N[C@@H]1CC[C@H]1O P46699 [1,0,0,1,0,0|1,0,0]=3 516 B6R1.4 N[C@@H]1CC[C@H]1O P46700 [1,0,0,1,0,0|1,0,0]=3 517 B6R1.4 N[C@@H]1CC[C@H]1O P47798 [1,0,0,1,0,0|1,0,0]=3 518 B6R1.4 N[C@H]1CC[C@@H]1O O33030 [1,0,0,1,0,0|1,0,0]=3 519 B6R1.4 N[C@H]1CC[C@@H]1O P46969 [1,0,0,1,0,0|1,0,0]=3 520 B6R1.4 N[C@H]1CC[C@H]1O P45237 [1,0,0,1,0,0|1,0,0]=3 521 B6R1.4 N[C@H]1CC[C@H]1O P46397 [1,0,0,1,0,0|1,0,0]=3 522 B6R1.4 O=C1CCC1O P47312 [1,0,0,1,0,0|1,0,1]=4 523 B6R1.4 OC1CCC1F P46352 [1,0,0,1,0,0|1,0,0]=3 524 B6R1.4 OC1CCC1O P50009 [1,0,0,1,0,0|1,0,0]=3 525 B6R1.4 O[C@@H]1CC[C@H]1O P45708 [1,0,0,1,0,0|1,0,0]=3 526 B6R1.4 O[C@H]1CC[C@H]1O P45709 [1,0,0,1,0,0|1,0,0]=3 527 B6R1.6 BrCC1CCO1 F-4066 [1,0,0,1,0,0|1,0,0]=3 528 B6R1.6 BrCC1CNC1 P50070 [1,0,0,1,0,0|2,0,0]=4 529 B6R1.6 BrCC1COC1 L21563 [1,0,0,1,0,0|2,0,0]=4 530 B6R1.6 C#CC1CCC1 P45543 [1,0,0,1,0,0|0,0,2]=4 531 B6R1.6 C#CC1CCO1 Q62777 [1,0,0,1,0,0|0,0,2]=4 532 B6R1.6 CCC1CCN1 P47056 [1,0,0,1,0,0|1,0,0]=3 533 B6R1.6 CCC1CCN1 P48764 [1,0,0,1,0,0|1,0,0]=3 534 B6R1.6 CCC1CNC1 P45196 [1,0,0,1,0,0|1,0,0]=3 535 B6R1.6 CCC1CNC1 P47098 [1,0,0,1,0,0|1,0,0]=3 536 B6R1.6 CNC1CCC1 O34360 [1,0,0,1,0,0|1,0,0]=3 537 B6R1.6 CNC1CCC1 P45733 [1,0,0,1,0,0|1,0,0]=3 538 B6R1.6 CNC1CNC1 M22665 [1,0,0,1,0,0|2,0,0]=4 539 B6R1.6 CNC1CNC1 P45899 [1,0,0,1,0,0|2,0,0]=4 540 B6R1.6 CNC1COC1 C-2465 [1,0,0,1,0,0|2,0,0]=4 541 B6R1.6 COC1CNC1 D-2560 [1,0,0,1,0,0|2,0,0]=4 542 B6R1.6 COC1CNC1 P44584 [1,0,0,1,0,0|2,0,0]=4 543 B6R1.6 CSC1CNC1 C-2301 [1,0,0,1,0,0|2,0,0]=4 544 B6R1.6 CSC1CNC1 L13623 [1,0,0,1,0,0|2,0,0]=4 545 B6R1.6 ClCC1CCC1 M23070 [1,0,0,1,0,0|1,0,0]=3 546 B6R1.6 ClCC1CNC1 P50271 [1,0,0,1,0,0|2,0,0]=4 547 B6R1.6 ClCC1COC1 P45001 [1,0,0,1,0,0|2,0,0]=4 548 B6R1.6 FCC1CCN1 P47490 [1,0,0,1,0,0|2,0,0]=4 549 B6R1.6 FCC1CNC1 O32400 [1,0,0,1,0,0|2,0,0]=4 550 B6R1.6 FCC1CNC1 O32401 [1,0,0,1,0,0|2,0,0]=4 551 B6R1.6 FC[C@@H]1CCN1 P45171 [1,0,0,1,0,0|2,0,0]=4 552 B6R1.6 FC[C@H]1CCN1 P47579 [1,0,0,1,0,0|2,0,0]=4 553 B6R1.6 ICC1CCC1 H-8778 [1,0,0,1,0,0|1,0,0]=3 554 B6R1.6 ICC1CCO1 G-7249 [1,0,0,1,0,0|1,0,0]=3 555 B6R1.6 ICC1COC1 G-5215 [1,0,0,1,0,0|2,0,0]=4 556 B6R1.6 N#CC1CCC1 G-7033 [1,0,0,1,0,0|1,0,1]=4 557 B6R1.6 NCC1CCC1 C-2308 [1,0,0,1,0,0|1,0,0]=3 558 B6R1.6 NCC1CCC1 L13986 [1,0,0,1,0,0|1,0,0]=3 559 B6R1.6 NCC1CCN1 G-5892 [1,0,0,1,0,0|2,0,0]=4 560 B6R1.6 NCC1CCN1 P49927 [1,0,0,1,0,0|2,0,0]=4 561 B6R1.6 NCC1CCO1 F-4044 [1,0,0,1,0,0|1,0,0]=3 562 B6R1.6 NCC1CCS1 Q58811 [1,0,0,1,0,0|1,1,0]=4 563 B6R1.6 NCC1CNC1 P39611 [1,0,0,1,0,0|2,0,0]=4 564 B6R1.6 NCC1CNC1 P49682 [1,0,0,1,0,0|2,0,0]=4 565 B6R1.6 NCC1COC1 C-2244 [1,0,0,1,0,0|2,0,0]=4 566 B6R1.6 NCC1COC1 L21567 [1,0,0,1,0,0|2,0,0]=4 567 B6R1.6 NCC1CSC1 G-7410 [1,0,0,1,0,0|2,0,0]=4 568 B6R1.6 NCC1CSC1 H-8020 [1,0,0,1,0,0|2,0,0]=4 569 B6R1.6 NC[C@@H]1CCO1 Q56226 [1,0,0,1,0,0|1,0,0]=3 570 B6R1.6 NC[C@H]1CCO1 Q64388 [1,0,0,1,0,0|1,0,0]=3 571 B6R1.6 NNC1CCC1 O30528 [1,0,0,1,0,0|2,0,0]=4 572 B6R1.6 NNC1CCC1 O31125 [1,0,0,1,0,0|2,0,0]=4 573 B6R1.6 NNC1CCC1 P44553 [1,0,0,1,0,0|2,0,0]=4 574 B6R1.6 OCC1CCN1 G-7151 [1,0,0,1,0,0|1,0,0]=3 575 B6R1.6 OCC1CCO1 F-4043 [1,0,0,1,0,0|1,0,0]=3 576 B6R1.6 OCC1CNC1 A-421 [1,0,0,1,0,0|1,0,0]=3 577 B6R1.6 OCC1CNC1 L14018 [1,0,0,1,0,0|1,0,0]=3 578 B6R1.6 OCC1COC1 C-2291 [1,0,0,1,0,0|1,0,0]=3 579 B6R1.6 OCC1CSC1 H-8021 [1,0,0,1,0,0|1,0,0]=3 580 B6R1.6 OC[C@@H]1CCN1 B-1106 [1,0,0,1,0,0|1,0,0]=3 581 B6R1.6 OC[C@@H]1CCN1 P36030 [1,0,0,1,0,0|1,0,0]=3 582 B6R1.6 OC[C@@H]1CCO1 Q56225 [1,0,0,1,0,0|1,0,0]=3 583 B6R1.6 OC[C@H]1CCN1 B-1105 [1,0,0,1,0,0|1,0,0]=3 584 B6R1.6 OC[C@H]1CCN1 P35007 [1,0,0,1,0,0|1,0,0]=3 585 B6R1.6 OC[C@H]1CCO1 Q53294 [1,0,0,1,0,0|1,0,0]=3 586 B6R1.6 ON=C1CCC1 P45801 [1,0,0,1,0,0|1,0,1]=4 587 B6R1.6 SCC1CNC1 P46721 [1,0,0,1,0,0|1,1,0]=4 588 B6R1.8 C[C@H]1C[C@H]1CO P43750 [1,0,0,1,0,0|0,0,0]=2 589 B8R1.2 BrCC1=CCCCC1 G-7545 [0,1,0,1,0,0|1,0,1]=4 590 B8R1.2 BrCC1CCCNC1 Q55055 [0,1,0,1,0,0|1,0,0]=3 591 B8R1.2 BrCC1CCCOC1 G-6343 [0,1,0,1,0,0|1,0,0]=3 592 B8R1.2 BrCC1CCNCC1 L21509 [0,1,0,1,0,0|1,0,0]=3 593 B8R1.2 BrCC1CCOCC1 G-5150 [0,1,0,1,0,0|1,0,0]=3 594 B8R1.2 BrCC1CCSCC1 O29933 [0,1,0,1,0,0|1,0,0]=3 595 B8R1.2 BrC[C@@H]1CCCNC1 Q55056 [0,1,0,1,0,0|1,0,0]=3 596 B8R1.2 BrC[C@@H]1CCCOC1 Q62734 [0,1,0,1,0,0|1,0,0]=3 597 B8R1.2 BrC[C@H]1CCCNC1 Q55057 [0,1,0,1,0,0|1,0,0]=3 598 B8R1.2 BrC[C@H]1CCCOC1 Q62735 [0,1,0,1,0,0|1,0,0]=3 599 B8R1.2 C#CC1CCCCN1 O30119 [0,1,0,1,0,0|1,0,1]=4 600 B8R1.2 C#CC1CCCCO1 Q62780 [0,1,0,1,0,0|0,0,1]=3 601 B8R1.2 C#CC1CCCNC1 L13025 [0,1,0,1,0,0|1,0,1]=4 602 B8R1.2 C#CC1CCCNC1 Q56306 [0,1,0,1,0,0|1,0,1]=4 603 B8R1.2 C#CC1CCCOC1 Q56322 [0,1,0,1,0,0|0,0,2]=4 604 B8R1.2 C#CC1CCNCC1 I-9267 [0,1,0,1,0,0|1,0,1]=4 605 B8R1.2 C#CC1CCNCC1 Q56307 [0,1,0,1,0,0|1,0,1]=4 606 B8R1.2 C#CC1CCOCC1 C-3588 [0,1,0,1,0,0|1,0,1]=4 607 B8R1.2 C#CC1CCSCC1 O32975 [0,1,0,1,0,0|1,0,1]=4 608 B8R1.2 C#C[C@@H]1CCCCO1 Q62782 [0,1,0,1,0,0|0,0,1]=3 609 B8R1.2 C#C[C@H]1CCCCO1 Q62781 [0,1,0,1,0,0|0,0,1]=3 610 B8R1.2 C=CC1CCOCC1 Q57821 [0,1,0,1,0,0|1,0,1]=4 611 B8R1.2 CCC1CCNCC1 P41021 [0,1,0,1,0,0|1,0,0]=3 612 B8R1.2 CCC1CNCCO1 B-1069 [0,1,0,1,0,0|0,0,0]=2 613 B8R1.2 CCC1COCCN1 B-1066 [0,1,0,1,0,0|1,0,0]=3 614 B8R1.2 CC[C@@H]1CCCCN1 Q54717 [0,1,0,1,0,0|1,0,0]=3 615 B8R1.2 CC[C@@H]1CCCNC1 Q61422 [0,1,0,1,0,0|1,0,0]=3 616 B8R1.2 CC[C@@H]1CNCCO1 B-1071 [0,1,0,1,0,0|0,0,0]=2 617 B8R1.2 CC[C@@H]1COCCN1 B-1064 [0,1,0,1,0,0|1,0,0]=3 618 B8R1.2 CC[C@H]1CCCNC1 Q61421 [0,1,0,1,0,0|1,0,0]=3 619 B8R1.2 CC[C@H]1CNCCO1 B-1070 [0,1,0,1,0,0|0,0,0]=2 620 B8R1.2 CC[C@H]1COCCN1 B-1065 [0,1,0,1,0,0|1,0,0]=3 621 B8R1.2 CNC1CCCNC1 K10899 [0,1,0,1,0,0|2,0,0]=4 622 B8R1.2 CNC1CCCSC1 Q57932 [0,1,0,1,0,0|1,1,0]=4 623 B8R1.2 CNC1CCCSC1 Q57933 [0,1,0,1,0,0|1,1,0]=4 624 B8R1.2 CNC1CCNCC1 L21525 [0,1,0,1,0,0|2,0,0]=4 625 B8R1.2 CNC1CCOCC1 G-5151 [0,1,0,1,0,0|2,0,0]=4 626 B8R1.2 CN[C@@H]1CCCOC1 Q55431 [0,1,0,1,0,0|1,0,0]=3 627 B8R1.2 CN[C@H]1CCCOC1 Q55432 [0,1,0,1,0,0|1,0,0]=3 628 B8R1.2 COC1CCCNC1 C-3504 [0,1,0,1,0,0|1,0,0]=3 629 B8R1.2 COC1CCCNC1 M22805 [0,1,0,1,0,0|1,0,0]=3 630 B8R1.2 COC1CCNCC1 C-2394 [0,1,0,1,0,0|1,0,0]=3 631 B8R1.2 COC1CCNCC1 C-3203 [0,1,0,1,0,0|1,0,0]=3 632 B8R1.2 CON1CCNCC1 H-8599 [0,1,0,1,0,0|2,0,0]=4 633 B8R1.2 CO[C@@H]1CCCNC1 G-7538 [0,1,0,1,0,0|1,0,0]=3 634 B8R1.2 CO[C@@H]1CCCNC1 L13637 [0,1,0,1,0,0|1,0,0]=3 635 B8R1.2 CO[C@H]1CCCNC1 G-5239 [0,1,0,1,0,0|1,0,0]=3 636 B8R1.2 CO[C@H]1CCCNC1 L21633 [0,1,0,1,0,0|1,0,0]=3 637 B8R1.2 CSC1CCCNC1 H-8554 [0,1,0,1,0,0|1,1,0]=4 638 B8R1.2 CSC1CCNCC1 C-2200 [0,1,0,1,0,0|1,1,0]=4 639 B8R1.2 ClCC1CCNCC1 L21584 [0,1,0,1,0,0|1,0,0]=3 640 B8R1.2 FCC1CCCCN1 Q52081 [0,1,0,1,0,0|1,0,0]=3 641 B8R1.2 FCC1CCCNC1 M23801 [0,1,0,1,0,0|1,0,0]=3 642 B8R1.2 FCC1CCNCC1 L13946 [0,1,0,1,0,0|1,0,0]=3 643 B8R1.2 FC[C@@H]1CCCCN1 Q52082 [0,1,0,1,0,0|1,0,0]=3 644 B8R1.2 FC[C@@H]1CCCNC1 Q65004 [0,1,0,1,0,0|1,0,0]=3 645 B8R1.2 FC[C@H]1CCCCN1 Q52083 [0,1,0,1,0,0|1,0,0]=3 646 B8R1.2 FC[C@H]1CCCNC1 Q65002 [0,1,0,1,0,0|1,0,0]=3 647 B8R1.2 ICC1CCOCC1 C-3412 [0,1,0,1,0,0|1,0,0]=3 648 B8R1.2 N#CC1CCCCC1 P45205 [0,1,0,1,0,0|1,0,0]=3 649 B8R1.2 N#CC1CCCCN1 A-125 [0,1,0,1,0,0|1,0,1]=4 650 B8R1.2 N#CC1CCCCS1 Q57985 [0,1,0,1,0,0|0,1,1]=4 651 B8R1.2 N#CC1CCCNC1 A-124 [0,1,0,1,0,0|1,0,1]=4 652 B8R1.2 N#CC1CCCNC1 G-5248 [0,1,0,1,0,0|1,0,1]=4 653 B8R1.2 N#CC1CCCOC1 Q54972 [0,1,0,1,0,0|1,0,1]=4 654 B8R1.2 N#CC1CCNCC1 A-123 [0,1,0,1,0,0|1,0,1]=4 655 B8R1.2 N#CC1CCOCC1 C-3419 [0,1,0,1,0,0|1,0,1]=4 656 B8R1.2 N#CC1CCSCC1 L14051 [0,1,0,1,0,0|1,0,1]=4 657 B8R1.2 N#C[C@@H]1CCCCN1 L18519 [0,1,0,1,0,0|1,0,1]=4 658 B8R1.2 N#C[C@@H]1CCCCN1 O33498 [0,1,0,1,0,0|1,0,1]=4 659 B8R1.2 N#C[C@@H]1CCCCN1 Q52040 [0,1,0,1,0,0|1,0,1]=4 660 B8R1.2 N#C[C@@H]1CCCNC1 L14278 [0,1,0,1,0,0|1,0,1]=4 661 B8R1.2 N#C[C@@H]1CCCNC1 P50463 [0,1,0,1,0,0|1,0,1]=4 662 B8R1.2 N#C[C@@H]1CCCNC1 Q65261 [0,1,0,1,0,0|1,0,1]=4 663 B8R1.2 N#C[C@@H]1CNCCO1 F-4344 [0,1,0,1,0,0|1,0,1]=4 664 B8R1.2 N#C[C@H]1CCCCN1 O33248 [0,1,0,1,0,0|1,0,1]=4 665 B8R1.2 N#C[C@H]1CCCCN1 Q52041 [0,1,0,1,0,0|1,0,1]=4 666 B8R1.2 N#C[C@H]1CCCCN1 Q52042 [0,1,0,1,0,0|1,0,1]=4 667 B8R1.2 N#C[C@H]1CCCNC1 L14298 [0,1,0,1,0,0|1,0,1]=4 668 B8R1.2 N#C[C@H]1CCCNC1 Q65260 [0,1,0,1,0,0|1,0,1]=4 669 B8R1.2 NCC1=CCCCC1 P38792 [0,1,0,1,0,0|1,0,1]=4 670 B8R1.2 NCC1CC=CCC1 P39320 [0,1,0,1,0,0|1,0,1]=4 671 B8R1.2 NCC1CCC=CO1 Q65014 [0,1,0,1,0,0|0,0,2]=4 672 B8R1.2 NCC1CCCCS1 Q57980 [0,1,0,1,0,0|0,1,0]=3 673 B8R1.2 NCC1CCCOC1 L21850 [0,1,0,1,0,0|1,0,0]=3 674 B8R1.2 NCC1CCCSC1 Q57994 [0,1,0,1,0,0|1,0,0]=3 675 B8R1.2 NCC1CCOCC1 C-3413 [0,1,0,1,0,0|1,0,0]=3 676 B8R1.2 NCC1CCSCC1 I-9299 [0,1,0,1,0,0|1,0,0]=3 677 B8R1.2 NCC1CCSCC1 O30354 [0,1,0,1,0,0|1,0,0]=3 678 B8R1.2 NCC1CNCCO1 P42498 [0,1,0,1,0,0|1,0,0]=3 679 B8R1.2 NCC1COCCO1 O34357 [0,1,0,1,0,0|1,0,0]=3 680 B8R1.2 NC[C@@H]1CCCCO1 Q62567 [0,1,0,1,0,0|0,0,0]=2 681 B8R1.2 NC[C@@H]1CCCOC1 L18118 [0,1,0,1,0,0|1,0,0]=3 682 B8R1.2 NC[C@@H]1CCCOC1 Q56432 [0,1,0,1,0,0|1,0,0]=3 683 B8R1.2 NC[C@@H]1COCCO1 I-9071 [0,1,0,1,0,0|1,0,0]=3 684 B8R1.2 NC[C@H]1CCC=CO1 Q65015 [0,1,0,1,0,0|0,0,2]=4 685 B8R1.2 NC[C@H]1CCCCO1 Q62568 [0,1,0,1,0,0|0,0,0]=2 686 B8R1.2 NC[C@H]1CCCOC1 L18117 [0,1,0,1,0,0|1,0,0]=3 687 B8R1.2 NC[C@H]1CCCOC1 Q56431 [0,1,0,1,0,0|1,0,0]=3 688 B8R1.2 NC[C@H]1COCCO1 I-9072 [0,1,0,1,0,0|1,0,0]=3 689 B8R1.2 NNC1CCCNC1 O31292 [0,1,0,1,0,0|2,0,0]=4 690 B8R1.2 NNC1CCCNC1 O31297 [0,1,0,1,0,0|2,0,0]=4 691 B8R1.2 NNC1CCCOC1 Q52422 [0,1,0,1,0,0|2,0,0]=4 692 B8R1.2 NNC1CCCOC1 Q52423 [0,1,0,1,0,0|2,0,0]=4 693 B8R1.2 NNC1CCNCC1 O29960 [0,1,0,1,0,0|2,0,0]=4 694 B8R1.2 NNC1CCNCC1 O31367 [0,1,0,1,0,0|2,0,0]=4 695 B8R1.2 NNC1CCNCC1 Q57490 [0,1,0,1,0,0|2,0,0]=4 696 B8R1.2 NNC1CCOCC1 C-3567 [0,1,0,1,0,0|2,0,0]=4 697 B8R1.2 NNC1CCOCC1 O31822 [0,1,0,1,0,0|2,0,0]=4 698 B8R1.2 NNC1CCOCC1 Q62217 [0,1,0,1,0,0|2,0,0]=4 699 B8R1.2 NNC1CCSCC1 O31250 [0,1,0,1,0,0|2,0,0]=4 700 B8R1.2 NOC1CCOCC1 Q57828 [0,1,0,1,0,0|1,0,0]=3 701 B8R1.2 O=CC1CCCCO1 Q60246 [0,1,0,1,0,0|0,0,1]=3 702 B8R1.2 O=CC1CCNCC1 O30562 [0,1,0,1,0,0|0,0,2]=4 703 B8R1.2 O=CC1CCOCC1 C-3265 [0,1,0,1,0,0|0,0,2]=4 704 B8R1.2 O=CC1CCSCC1 O32574 [0,1,0,1,0,0|0,0,2]=4 705 B8R1.2 OCC1=CCCCO1 Q54672 [0,1,0,1,0,0|0,0,2]=4 706 B8R1.2 OCC1=CCOCC1 Q54592 [0,1,0,1,0,0|0,0,2]=4 707 B8R1.2 OCC1CCCCS1 Q57888 [0,1,0,1,0,0|0,0,0]=2 708 B8R1.2 OCC1CCCOC1 F-4498 [0,1,0,1,0,0|0,0,0]=2 709 B8R1.2 OCC1CCCSC1 Q57993 [0,1,0,1,0,0|0,0,0]=2 710 B8R1.2 OCC1CCOCC1 C-3562 [0,1,0,1,0,0|0,0,0]=2 711 B8R1.2 OCC1CCSCC1 O31147 [0,1,0,1,0,0|0,0,0]=2 712 B8R1.2 OCC1CNCCO1 B-1078 [0,1,0,1,0,0|1,0,0]=3 713 B8R1.2 OCC1COCCN1 B-1087 [0,1,0,1,0,0|1,0,0]=3 714 B8R1.2 OCC1COCCO1 K16125 [0,1,0,1,0,0|1,0,0]=3 715 B8R1.2 OC[C@@H]1CCCCN1 M23455 [0,1,0,1,0,0|0,0,0]=2 716 B8R1.2 OC[C@@H]1CCCCO1 F-4789 [0,1,0,1,0,0|0,0,0]=2 717 B8R1.2 OC[C@@H]1CCCNC1 P44488 [0,1,0,1,0,0|0,0,0]=2 718 B8R1.2 OC[C@@H]1CCCOC1 P43927 [0,1,0,1,0,0|0,0,0]=2 719 B8R1.2 OC[C@@H]1CNCCN1 B-1173 [0,1,0,1,0,0|1,0,0]=3 720 B8R1.2 OC[C@@H]1CNCCO1 B-1080 [0,1,0,1,0,0|1,0,0]=3 721 B8R1.2 OC[C@@H]1COCCN1 B-1089 [0,1,0,1,0,0|1,0,0]=3 722 B8R1.2 OC[C@@H]1COCCO1 O34308 [0,1,0,1,0,0|1,0,0]=3 723 B8R1.2 OC[C@H]1CCCCN1 M23615 [0,1,0,1,0,0|0,0,0]=2 724 B8R1.2 OC[C@H]1CCCCO1 P43928 [0,1,0,1,0,0|0,0,0]=2 725 B8R1.2 OC[C@H]1CCCNC1 O31559 [0,1,0,1,0,0|0,0,0]=2 726 B8R1.2 OC[C@H]1CCCNC1 P41232 [0,1,0,1,0,0|0,0,0]=2 727 B8R1.2 OC[C@H]1CCCOC1 P43926 [0,1,0,1,0,0|0,0,0]=2 728 B8R1.2 OC[C@H]1CNCCO1 B-1079 [0,1,0,1,0,0|1,0,0]=3 729 B8R1.2 OC[C@H]1COCCN1 B-1088 [0,1,0,1,0,0|1,0,0]=3 730 B8R1.2 OC[C@H]1COCCO1 O34310 [0,1,0,1,0,0|1,0,0]=3 731 B8R1.5 CC1CCCNC1=O L13669 [0,1,0,1,0,0|0,0,2]=4 732 B8R1.5 CC1CCNCC1=O F-4040 [0,1,0,1,0,0|0,0,2]=4 733 B8R1.5 CC1CCNCC1C Q59916 [0,1,0,1,0,0|1,0,0]=3 734 B8R1.5 CC1CCNCC1F Q59913 [0,1,0,1,0,0|1,0,0]=3 735 B8R1.5 CC1CCNCC1O F-4041 [0,1,0,1,0,0|0,0,0]=2 736 B8R1.5 CC1CCNCC1O G-7991 [0,1,0,1,0,0|0,0,0]=2 737 B8R1.5 CC1CNCCC1=O O34502 [0,1,0,1,0,0|0,0,2]=4 738 B8R1.5 CC1CNCCC1F Q54399 [0,1,0,1,0,0|1,0,0]=3 739 B8R1.5 CC1CNCCC1F Q54400 [0,1,0,1,0,0|1,0,0]=3 740 B8R1.5 CC1CNCCC1O I-9227 [0,1,0,1,0,0|0,0,0]=2 741 B8R1.5 CC1COCCC1=O F-4697 [0,1,0,1,0,0|0,0,2]=4 742 B8R1.5 CC1NCCCC1O Q61133 [0,1,0,1,0,0|0,0,0]=2 743 B8R1.5 C[C@@H]1CCCC[C@@H]1N O34546 [0,1,0,1,0,0|1,0,0]=3 744 B8R1.5 C[C@@H]1CCCC[C@@H]1N P46167 [0,1,0,1,0,0|1,0,0]=3 745 B8R1.5 C[C@@H]1CCCC[C@H]1N P44819 [0,1,0,1,0,0|1,0,0]=3 746 B8R1.5 C[C@@H]1CCCC[C@H]1N P44820 [0,1,0,1,0,0|1,0,0]=3 747 B8R1.5 C[C@@H]1CCCC[C@H]1N P45791 [0,1,0,1,0,0|1,0,0]=3 748 B8R1.5 C[C@@H]1CCCN[C@@H]1C P45337 [0,1,0,1,0,0|1,0,0]=3 749 B8R1.5 C[C@@H]1CCCN[C@@H]1C Q61336 [0,1,0,1,0,0|1,0,0]=3 750 B8R1.5 C[C@@H]1CCNC[C@@H]1O G-6540 [0,1,0,1,0,0|0,0,0]=2 751 B8R1.5 C[C@@H]1CCNC[C@@H]1O Q56504 [0,1,0,1,0,0|0,0,0]=2 752 B8R1.5 C[C@@H]1CCNC[C@H]1O Q56503 [0,1,0,1,0,0|0,0,0]=2 753 B8R1.5 C[C@@H]1CNCCN1C G-7636 [0,1,0,1,0,0|2,0,0]=4 754 B8R1.5 C[C@@H]1CNCCN1C L21507 [0,1,0,1,0,0|2,0,0]=4 755 B8R1.5 C[C@@H]1CNCC[C@@H]1F Q53340 [0,1,0,1,0,0|1,0,0]=3 756 B8R1.5 C[C@@H]1CNCC[C@H]1F Q53341 [0,1,0,1,0,0|1,0,0]=3 757 B8R1.5 C[C@@H]1CNCC[C@H]1O L21732 [0,1,0,1,0,0|0,0,0]=2 758 B8R1.5 C[C@@H]1CNCC[C@H]1O Q65201 [0,1,0,1,0,0|0,0,0]=2 759 B8R1.5 C[C@@H]1COCC[C@@H]1N Q52400 [0,1,0,1,0,0|1,0,0]=3 760 B8R1.5 C[C@@H]1COCC[C@H]1N O33010 [0,1,0,1,0,0|1,0,0]=3 761 B8R1.5 C[C@@H]1COCC[C@H]1N Q56430 [0,1,0,1,0,0|1,0,0]=3 762 B8R1.5 C[C@@H]1NCCC[C@@H]1O Q61250 [0,1,0,1,0,0|0,0,0]=2 763 B8R1.5 C[C@@H]1NCCC[C@H]1O Q61249 [0,1,0,1,0,0|0,0,0]=2 764 B8R1.5 C[C@H]1CCCC[C@@H]1N P45803 [0,1,0,1,0,0|1,0,0]=3 765 B8R1.5 C[C@H]1CCCC[C@@H]1N P49914 [0,1,0,1,0,0|1,0,0]=3 766 B8R1.5 C[C@H]1CCCC[C@H]1N O34572 [0,1,0,1,0,0|1,0,0]=3 767 B8R1.5 C[C@H]1CCCC[C@H]1N P45166 [0,1,0,1,0,0|1,0,0]=3 768 B8R1.5 C[C@H]1CCNC[C@@H]1O G-6539 [0,1,0,1,0,0|0,0,0]=2 769 B8R1.5 C[C@H]1CNCCN1C G-7100 [0,1,0,1,0,0|2,0,0]=4 770 B8R1.5 C[C@H]1CNCCN1C L14176 [0,1,0,1,0,0|2,0,0]=4 771 B8R1.5 C[C@H]1CNCC[C@@H]1O Q65202 [0,1,0,1,0,0|0,0,0]=2 772 B8R1.5 C[C@H]1COCC[C@@H]1N G-7933 [0,1,0,1,0,0|1,0,0]=3 773 B8R1.5 C[C@H]1COCC[C@H]1N G-7268 [0,1,0,1,0,0|1,0,0]=3 774 B8R1.5 C[C@H]1COCC[C@H]1N Q52399 [0,1,0,1,0,0|1,0,0]=3 775 B8R1.5 C[C@H]1NCCC[C@@H]1O Q61135 [0,1,0,1,0,0|0,0,0]=2 776 B8R1.5 C[C@H]1NCCC[C@@H]1O Q61248 [0,1,0,1,0,0|0,0,0]=2 777 B8R1.5 C[C@H]1NCCC[C@H]1O Q61134 [0,1,0,1,0,0|0,0,0]=2 778 B8R1.5 C[C@H]1NCCC[C@H]1O Q61251 [0,1,0,1,0,0|0,0,0]=2 779 B8R1.5 F[C@H]1CCNC[C@@H]1F I-9645 [0,1,0,1,0,0|2,0,0]=4 780 B8R1.5 F[C@H]1CNCC[C@H]1F I-9608 [0,1,0,1,0,0|2,0,0]=4 781 B8R1.5 NC1CCCCC1=O P45934 [0,1,0,1,0,0|0,0,2]=4 782 B8R1.5 NC1CCCCC1F P50555 [0,1,0,1,0,0|1,0,0]=3 783 B8R1.5 NC1COCCC1F Q54881 [0,1,0,1,0,0|2,0,0]=4 784 B8R1.5 N[C@@H]1CCCC[C@@H]1F P48909 [0,1,0,1,0,0|1,0,0]=3 785 B8R1.5 N[C@@H]1CCCC[C@@H]1O P46454 [0,1,0,1,0,0|0,0,0]=2 786 B8R1.5 N[C@@H]1CCCC[C@@H]1O P49846 [0,1,0,1,0,0|0,0,0]=2 787 B8R1.5 N[C@@H]1CCCC[C@H]1F P46966 [0,1,0,1,0,0|1,0,0]=3 788 B8R1.5 N[C@@H]1CCCC[C@H]1F P49016 [0,1,0,1,0,0|1,0,0]=3 789 B8R1.5 N[C@@H]1CCCC[C@H]1N M15638 [0,1,0,1,0,0|1,0,0]=3 790 B8R1.5 N[C@@H]1CCCC[C@H]1O P48754 [0,1,0,1,0,0|0,0,0]=2 791 B8R1.5 N[C@@H]1CCNC[C@@H]1O Q52229 [0,1,0,1,0,0|1,0,0]=3 792 B8R1.5 N[C@@H]1CCNC[C@@H]1O Q52230 [0,1,0,1,0,0|1,0,0]=3 793 B8R1.5 N[C@@H]1CCNC[C@H]1O Q52224 [0,1,0,1,0,0|1,0,0]=3 794 B8R1.5 N[C@@H]1CCNC[C@H]1O Q52225 [0,1,0,1,0,0|1,0,0]=3 795 B8R1.5 N[C@@H]1CCOC[C@@H]1F I-9261 [0,1,0,1,0,0|2,0,0]=4 796 B8R1.5 N[C@@H]1CCOC[C@@H]1F O32994 [0,1,0,1,0,0|2,0,0]=4 797 B8R1.5 N[C@@H]1CCOC[C@@H]1F Q52308 [0,1,0,1,0,0|2,0,0]=4 798 B8R1.5 N[C@@H]1CCOC[C@@H]1O G-6344 [0,1,0,1,0,0|1,0,0]=3 799 B8R1.5 N[C@@H]1CCOC[C@@H]1O G-7927 [0,1,0,1,0,0|1,0,0]=3 800 B8R1.5 N[C@@H]1CCOC[C@@H]1O L13461 [0,1,0,1,0,0|1,0,0]=3 801 B8R1.5 N[C@@H]1CCOC[C@@H]1O Q65031 [0,1,0,1,0,0|1,0,0]=3 802 B8R1.5 N[C@@H]1CCOC[C@H]1F I-9786 [0,1,0,1,0,0|2,0,0]=4 803 B8R1.5 N[C@@H]1CCOC[C@H]1O I-9206 [0,1,0,1,0,0|1,0,0]=3 804 B8R1.5 N[C@@H]1COCC[C@@H]1O L14613 [0,1,0,1,0,0|1,0,0]=3 805 B8R1.5 N[C@@H]1COCC[C@@H]1O Q65030 [0,1,0,1,0,0|1,0,0]=3 806 B8R1.5 N[C@@H]1COCC[C@H]1F Q65046 [0,1,0,1,0,0|2,0,0]=4 807 B8R1.5 N[C@@H]1COCC[C@H]1O G-7504 [0,1,0,1,0,0|1,0,0]=3 808 B8R1.5 N[C@@H]1COCC[C@H]1O L13647 [0,1,0,1,0,0|1,0,0]=3 809 B8R1.5 N[C@H]1CCCC[C@@H]1F P49406 [0,1,0,1,0,0|1,0,0]=3 810 B8R1.5 N[C@H]1CCCC[C@@H]1O P44501 [0,1,0,1,0,0|0,0,0]=2 811 B8R1.5 N[C@H]1CCCC[C@H]1O P45876 [0,1,0,1,0,0|0,0,0]=2 812 B8R1.5 N[C@H]1CCCC[C@H]1O P46705 [0,1,0,1,0,0|0,0,0]=2 813 B8R1.5 N[C@H]1CCNC[C@@H]1O Q52226 [0,1,0,1,0,0|1,0,0]=3 814 B8R1.5 N[C@H]1CCNC[C@H]1O Q52227 [0,1,0,1,0,0|1,0,0]=3 815 B8R1.5 N[C@H]1CCNC[C@H]1O Q52228 [0,1,0,1,0,0|1,0,0]=3 816 B8R1.5 N[C@H]1CCOC[C@@H]1F I-9495 [0,1,0,1,0,0|2,0,0]=4 817 B8R1.5 N[C@H]1CCOC[C@@H]1F I-9780 [0,1,0,1,0,0|2,0,0]=4 818 B8R1.5 N[C@H]1CCOC[C@@H]1O G-7267 [0,1,0,1,0,0|1,0,0]=3 819 B8R1.5 N[C@H]1CCOC[C@@H]1O I-9259 [0,1,0,1,0,0|1,0,0]=3 820 B8R1.5 N[C@H]1CCOC[C@@H]1O Q65027 [0,1,0,1,0,0|1,0,0]=3 821 B8R1.5 N[C@H]1CCOC[C@H]1F O32995 [0,1,0,1,0,0|2,0,0]=4 822 B8R1.5 N[C@H]1CCOC[C@H]1F Q52307 [0,1,0,1,0,0|2,0,0]=4 823 B8R1.5 N[C@H]1CCOC[C@H]1O L18331 [0,1,0,1,0,0|1,0,0]=3 824 B8R1.5 N[C@H]1CCOC[C@H]1O Q65032 [0,1,0,1,0,0|1,0,0]=3 825 B8R1.5 N[C@H]1COCC[C@@H]1O G-5997 [0,1,0,1,0,0|1,0,0]=3 826 B8R1.5 N[C@H]1COCC[C@@H]1O Q56271 [0,1,0,1,0,0|1,0,0]=3 827 B8R1.5 N[C@H]1COCC[C@H]1O Q65029 [0,1,0,1,0,0|1,0,0]=3 828 B8R1.5 O=C1CCCCC1Br L21639 [0,1,0,1,0,0|0,0,2]=4 829 B8R1.5 O=C1CCCCC1F P45307 [0,1,0,1,0,0|0,0,2]=4 830 B8R1.5 O=C1NCCC[C@@H]1O P36280 [0,1,0,1,0,0|1,0,1]=4 831 B8R1.5 O=C1NCCC[C@H]1O P39619 [0,1,0,1,0,0|1,0,1]=4 832 B8R1.5 O=C1OCCCC1Br L20669 [0,1,0,1,0,0|1,0,1]=4 833 B8R1.5 OC1CCCCC1Br Q59575 [0,1,0,1,0,0|0,0,0]=2 834 B8R1.5 OC1CCOCC1F L14603 [0,1,0,1,0,0|1,0,0]=3 835 B8R1.5 OC1CCOCC1O Q54610 [0,1,0,1,0,0|1,0,0]=3 836 B8R1.5 O[C@@H]1CCNC[C@@H]1F I-9127 [0,1,0,1,0,0|1,0,0]=3 837 B8R1.5 O[C@@H]1CCNC[C@@H]1F Q56264 [0,1,0,1,0,0|1,0,0]=3 838 B8R1.5 O[C@@H]1CCNC[C@H]1F G-6837 [0,1,0,1,0,0|1,0,0]=3 839 B8R1.5 O[C@@H]1CCNC[C@H]1F Q56265 [0,1,0,1,0,0|1,0,0]=3 840 B8R1.5 O[C@@H]1CCOC[C@@H]1F O33072 [0,1,0,1,0,0|1,0,0]=3 841 B8R1.5 O[C@@H]1CCOC[C@H]1F Q64491 [0,1,0,1,0,0|1,0,0]=3 842 B8R1.5 O[C@@H]1CCOC[C@H]1O Q62887 [0,1,0,1,0,0|1,0,0]=3 843 B8R1.5 O[C@@H]1CNCC[C@H]1F G-6836 [0,1,0,1,0,0|1,0,0]=3 844 B8R1.5 O[C@@H]1CNCC[C@H]1F L13235 [0,1,0,1,0,0|1,0,0]=3 845 B8R1.5 O[C@H]1CCNC[C@@H]1F L13157 [0,1,0,1,0,0|1,0,0]=3 846 B8R1.5 O[C@H]1CCNC[C@@H]1O H-8035 [0,1,0,1,0,0|1,0,0]=3 847 B8R1.5 O[C@H]1CCNC[C@@H]1O O33528 [0,1,0,1,0,0|1,0,0]=3 848 B8R1.5 O[C@H]1CCNC[C@H]1F G-5703 [0,1,0,1,0,0|1,0,0]=3 849 B8R1.5 O[C@H]1CCNC[C@H]1F Q52346 [0,1,0,1,0,0|1,0,0]=3 850 B8R1.5 O[C@H]1CCNC[C@H]1O Q59861 [0,1,0,1,0,0|1,0,0]=3 851 B8R1.5 O[C@H]1CCOC[C@@H]1F P48147 [0,1,0,1,0,0|1,0,0]=3 852 B8R1.5 O[C@H]1CCOC[C@@H]1F Q64492 [0,1,0,1,0,0|1,0,0]=3 853 B8R1.5 O[C@H]1CCOC[C@H]1F L22048 [0,1,0,1,0,0|1,0,0]=3 854 B8R1.5 O[C@H]1CCOC[C@H]1F O33074 [0,1,0,1,0,0|1,0,0]=3 855 B8R1.5 O[C@H]1CNCC[C@H]1F Q52403 [0,1,0,1,0,0|1,0,0]=3 856 B8R1.5 O[C@H]1CNCC[C@H]1F Q65042 [0,1,0,1,0,0|1,0,0]=3 857 B8R1.5 O[C@H]1CNCC[C@H]1O G-6972 [0,1,0,1,0,0|1,0,0]=3 858 B8R1.5 O[C@H]1CNCC[C@H]1O Q59948 [0,1,0,1,0,0|1,0,0]=3 859 B8R1.5 [C@@H]1(O)COCC[C@H]1N Q65028 [0,1,0,1,0,0|1,0,0]=3 860 B8R1.8 BrCCC1CCCC1 P40215 [0,1,0,1,0,0|1,0,0]=3 861 B8R1.8 C#CCN1CCCC1 P36421 [0,1,0,1,0,0|1,0,1]=4 862 B8R1.8 CCNC1CCOC1 L13931 [0,1,0,1,0,0|1,0,0]=3 863 B8R1.8 CCOC1CCNC1 P42418 [0,1,0,1,0,0|2,0,0]=4 864 B8R1.8 CCO[C@@H]1CCNC1 L14178 [0,1,0,1,0,0|2,0,0]=4 865 B8R1.8 CCO[C@H]1CCNC1 L14118 [0,1,0,1,0,0|2,0,0]=4 866 B8R1.8 CCO[C@H]1CCNC1 P40747 [0,1,0,1,0,0|2,0,0]=4 867 B8R1.8 CNCC1CCCC1 P38031 [0,1,0,1,0,0|1,0,0]=3 868 B8R1.8 CNCC1CCOC1 L14905 [0,1,0,1,0,0|1,0,0]=3 869 B8R1.8 CNC[C@@H]1CCCN1 P49799 [0,1,0,1,0,0|1,0,0]=3 870 B8R1.8 CNC[C@H]1CCCN1 P45316 [0,1,0,1,0,0|1,0,0]=3 871 B8R1.8 COCC1CCCN1 O28849 [0,1,0,1,0,0|1,0,0]=3 872 B8R1.8 COCC1CCNC1 L18134 [0,1,0,1,0,0|1,0,0]=3 873 B8R1.8 COCC1CCNC1 L18135 [0,1,0,1,0,0|1,0,0]=3 874 B8R1.8 COC[C@@H]1CCCN1 L14013 [0,1,0,1,0,0|1,0,0]=3 875 B8R1.8 COC[C@@H]1CCNC1 L22515 [0,1,0,1,0,0|1,0,0]=3 876 B8R1.8 COC[C@@H]1CCNC1 S72614 [0,1,0,1,0,0|1,0,0]=3 877 B8R1.8 COC[C@H]1CCCN1 P35868 [0,1,0,1,0,0|1,0,0]=3 878 B8R1.8 COC[C@H]1CCNC1 L22047 [0,1,0,1,0,0|1,0,0]=3 879 B8R1.8 CSCC1CCNC1 Q59194 [0,1,0,1,0,0|1,1,0]=4 880 B8R1.8 ICCC1OCCO1 P35885 [0,1,0,1,0,0|1,0,0]=3 881 B8R1.8 N#CCC1CCCC1 P37327 [0,1,0,1,0,0|1,0,0]=3 882 B8R1.8 N#CCN1CCCC1 P51492 [0,1,0,1,0,0|1,0,1]=4 883 B8R1.8 NCCC1CCCC1 P37297 [0,1,0,1,0,0|1,0,0]=3 884 B8R1.8 NNCC1CCCC1 P44364 [0,1,0,1,0,0|1,0,0]=3 885 B8R1.8 NNCC1CCCC1 Q59135 [0,1,0,1,0,0|1,0,0]=3 886 B8R1.8 O=CCC1CCCC1 P37401 [0,1,0,1,0,0|0,0,1]=3 887 B8R1.8 O=CCN1CCCC1 P35023 [0,1,0,1,0,0|0,0,2]=4 888 B8R1.8 OCCC1CCCC1 P36182 [0,1,0,1,0,0|0,0,0]=2 889 B8R1.8 OCCC1CCCN1 G-5919 [0,1,0,1,0,0|0,0,0]=2 890 B8R1.8 OCCC1CCNC1 G-7310 [0,1,0,1,0,0|0,0,0]=2 891 B8R1.8 [N-]=[N+]=NC1CCCC1 P38734 [0,1,0,1,0,0|2,0,0]=4 892 B8R1.10 BrCCOC1CCC1 P49161 [0,1,0,1,0,0|1,0,0]=3 893 B8R1.10 C=CCCN1CCC1 P45309 [0,1,0,1,0,0|1,0,1]=4 894 B8R1.10 CCCNC1CNC1 P48003 [0,1,0,1,0,0|2,0,0]=4 895 B8R1.10 CCCOC1CNC1 O30745 [0,1,0,1,0,0|2,0,0]=4 896 B8R1.10 CCCOC1CNC1 P44923 [0,1,0,1,0,0|2,0,0]=4 897 B8R1.10 CCNCC1CCC1 P45276 [0,1,0,1,0,0|1,0,0]=3 898 B8R1.10 CCNCC1CCC1 P45868 [0,1,0,1,0,0|1,0,0]=3 899 B8R1.10 CCNCC1CNC1 P44880 [0,1,0,1,0,0|2,0,0]=4 900 B8R1.10 CCOCC1CNC1 P44922 [0,1,0,1,0,0|2,0,0]=4 901 B8R1.10 CNCCC1CCC1 P34701 [0,1,0,1,0,0|1,0,0]=3 902 B8R1.10 CNCCN1CCC1 P44758 [0,1,0,1,0,0|2,0,0]=4 903 B8R1.10 COCCC1CNC1 P44773 [0,1,0,1,0,0|1,0,0]=3 904 B8R1.10 COCCC1CNC1 P44774 [0,1,0,1,0,0|1,0,0]=3 905 B8R1.10 FCCOC1CNC1 P48700 [0,1,0,1,0,0|2,0,0]=4 906 B8R1.10 N#CCCC1CNC1 P49391 [0,1,0,1,0,0|1,0,1]=4 907 B8R1.10 N#CCCN1CCC1 P47303 [0,1,0,1,0,0|1,0,1]=4 908 B8R1.10 NCCCC1CCC1 P35867 [0,1,0,1,0,0|1,0,0]=3 909 B8R1.10 NCCCN1CCC1 P45494 [0,1,0,1,0,0|1,0,0]=3 910 B8R1.10 NCCOC1CCC1 L20867 [0,1,0,1,0,0|1,0,0]=3 911 B8R1.10 NCCOC1CCC1 P48638 [0,1,0,1,0,0|1,0,0]=3 912 B8R1.10 O=C=NCC1CCC1 P47945 [0,1,0,1,0,0|0,0,2]=4 913 B8R1.10 O=CCCC1CCC1 P46841 [0,1,0,1,0,0|0,0,1]=3 914 B8R1.10 O=CCCC1CCO1 Q57245 [0,1,0,1,0,0|0,0,1]=3 915 B8R1.10 OCCCC1CNC1 P48483 [0,1,0,1,0,0|0,0,0]=2 916 B8R1.10 OCCCC1COC1 Q54775 [0,1,0,1,0,0|0,0,0]=2 917 B8R1.10 OCCCN1CCC1 P44834 [0,1,0,1,0,0|0,0,0]=2 918 B8R1.10 OCCNC1CCC1 P45739 [0,1,0,1,0,0|0,0,0]=2 919 B8R1.10 OCCNC1CSC1 Q58886 [0,1,0,1,0,0|1,0,0]=3 920 B8R1.10 OCCOC1CCC1 P45345 [0,1,0,1,0,0|0,0,0]=2 921 B8R1.10 OCCOC1CNC1 P48226 [0,1,0,1,0,0|1,0,0]=3 922 B8R1.10 S=C=NCC1CCC1 P49812 [0,1,0,1,0,0|0,1,1]=4 923 B8R1.11 CC1CCCC1CN L20508 [0,1,0,1,0,0|1,0,0]=3 924 B8R1.11 CCC1CNCC1O Q59343 [0,1,0,1,0,0|0,0,0]=2 925 B8R1.11 CC[C@@H]1CNC[C@@H]1F Q56055 [0,1,0,1,0,0|1,0,0]=3 926 B8R1.11 CC[C@@H]1CNC[C@@H]1F Q61812 [0,1,0,1,0,0|1,0,0]=3 927 B8R1.11 CN1CCCC1CN P39264 [0,1,0,1,0,0|1,0,0]=3 928 B8R1.11 CN1CCC[C@@H]1CN C-3654 [0,1,0,1,0,0|1,0,0]=3 929 B8R1.11 CN1CCC[C@@H]1CO P44684 [0,1,0,1,0,0|0,0,0]=2 930 B8R1.11 CN1CCC[C@H]1CN C-3570 [0,1,0,1,0,0|1,0,0]=3 931 B8R1.11 CN[C@@H]1CCC[C@H]1O Q55268 [0,1,0,1,0,0|0,0,0]=2 932 B8R1.11 CN[C@@H]1CCC[C@H]1O Q61729 [0,1,0,1,0,0|0,0,0]=2 933 B8R1.11 COC1CCCC1N Q59137 [0,1,0,1,0,0|1,0,0]=3 934 B8R1.11 COC1CCCC1N Q59138 [0,1,0,1,0,0|1,0,0]=3 935 B8R1.11 CO[C@@H]1CCC[C@@H]1N Q52259 [0,1,0,1,0,0|1,0,0]=3 936 B8R1.11 CO[C@@H]1CCC[C@@H]1N Q52260 [0,1,0,1,0,0|1,0,0]=3 937 B8R1.11 CO[C@@H]1CCC[C@H]1N Q56991 [0,1,0,1,0,0|1,0,0]=3 938 B8R1.11 CO[C@@H]1CCN[C@H]1C Q61887 [0,1,0,1,0,0|1,0,0]=3 939 B8R1.11 CO[C@@H]1CNC[C@@H]1F Q52145 [0,1,0,1,0,0|2,0,0]=4 940 B8R1.11 CO[C@@H]1CNC[C@@H]1F Q63887 [0,1,0,1,0,0|2,0,0]=4 941 B8R1.11 CO[C@@H]1CNC[C@@H]1O L13358 [0,1,0,1,0,0|1,0,0]=3 942 B8R1.11 CO[C@@H]1CNC[C@@H]1O Q52624 [0,1,0,1,0,0|1,0,0]=3 943 B8R1.11 CO[C@@H]1CNC[C@H]1F Q63888 [0,1,0,1,0,0|2,0,0]=4 944 B8R1.11 CO[C@@H]1CNC[C@H]1N Q61621 [0,1,0,1,0,0|2,0,0]=4 945 B8R1.11 CO[C@@H]1CNC[C@H]1O Q52683 [0,1,0,1,0,0|1,0,0]=3 946 B8R1.11 CO[C@@H]1CNC[C@H]1O Q52684 [0,1,0,1,0,0|1,0,0]=3 947 B8R1.11 CO[C@H]1CCC[C@@H]1N Q52257 [0,1,0,1,0,0|1,0,0]=3 948 B8R1.11 CO[C@H]1CCC[C@@H]1N Q56990 [0,1,0,1,0,0|1,0,0]=3 949 B8R1.11 CO[C@H]1CNC[C@@H]1F G-6499 [0,1,0,1,0,0|2,0,0]=4 950 B8R1.11 CO[C@H]1CNC[C@@H]1F Q63889 [0,1,0,1,0,0|2,0,0]=4 951 B8R1.11 CO[C@H]1CNC[C@@H]1N Q61620 [0,1,0,1,0,0|2,0,0]=4 952 B8R1.11 CO[C@H]1CNC[C@@H]1O G-7975 [0,1,0,1,0,0|1,0,0]=3 953 B8R1.11 CO[C@H]1CNC[C@@H]1O Q52681 [0,1,0,1,0,0|1,0,0]=3 954 B8R1.11 CO[C@H]1CNC[C@@H]1O Q52682 [0,1,0,1,0,0|1,0,0]=3 955 B8R1.11 CO[C@H]1CNC[C@@H]1O Q52685 [0,1,0,1,0,0|1,0,0]=3 956 B8R1.11 CO[C@H]1CNC[C@H]1F Q55426 [0,1,0,1,0,0|2,0,0]=4 957 B8R1.11 CO[C@H]1CNC[C@H]1F Q63886 [0,1,0,1,0,0|2,0,0]=4 958 B8R1.11 CO[C@H]1CNC[C@H]1O Q52625 [0,1,0,1,0,0|1,0,0]=3 959 B8R1.11 CO[C@H]1CNC[C@H]1O Q52626 [0,1,0,1,0,0|1,0,0]=3 960 B8R1.11 CSC1CCCC1N Q59163 [0,1,0,1,0,0|1,0,0]=3 961 B8R1.11 C[C@@H]1NCC[C@@H]1CO Q62184 [0,1,0,1,0,0|0,0,0]=2 962 B8R1.11 C[C@H]1CNC[C@@H]1CO O33112 [0,1,0,1,0,0|0,0,0]=2 963 B8R1.11 C[C@H]1CNC[C@@H]1CO Q61714 [0,1,0,1,0,0|0,0,0]=2 964 B8R1.11 C[C@H]1CNC[C@@H]1CO S72706 [0,1,0,1,0,0|0,0,0]=2 965 B8R1.11 N#CC1CCCC1N Q54475 [0,1,0,1,0,0|1,0,1]=4 966 B8R1.11 N#C[C@@H]1CCC[C@@H]1N F-4843 [0,1,0,1,0,0|1,0,1]=4 967 B8R1.11 N#C[C@@H]1CCC[C@@H]1N G-7844 [0,1,0,1,0,0|1,0,1]=4 968 B8R1.11 N#C[C@@H]1CCC[C@@H]1N P50522 [0,1,0,1,0,0|1,0,1]=4 969 B8R1.11 N#C[C@@H]1CCC[C@@H]1N Q52161 [0,1,0,1,0,0|1,0,1]=4 970 B8R1.11 N#C[C@@H]1CCC[C@H]1O Q52678 [0,1,0,1,0,0|0,0,1]=3 971 B8R1.11 N#C[C@H]1CCC[C@H]1N L13306 [0,1,0,1,0,0|1,0,1]=4 972 B8R1.11 N#C[C@H]1CCC[C@H]1N Q52845 [0,1,0,1,0,0|1,0,1]=4 973 B8R1.11 N#C[C@H]1CCC[C@H]1N Q52846 [0,1,0,1,0,0|1,0,1]=4 974 B8R1.11 N#C[C@H]1NCC[C@@H]1O Q64934 [0,1,0,1,0,0|1,0,1]=4 975 B8R1.11 NCC1CCCC1N Q59144 [0,1,0,1,0,0|1,0,0]=3 976 B8R1.11 NCC1CCCC1O Q59145 [0,1,0,1,0,0|0,0,0]=2 977 B8R1.11 NC[C@@H]1CCC[C@H]1O Q52811 [0,1,0,1,0,0|0,0,0]=2 978 B8R1.11 NC[C@@H]1COC[C@@H]1O I-9678 [0,1,0,1,0,0|1,0,0]=3 979 B8R1.11 NC[C@H]1CCC[C@@H]1O Q52812 [0,1,0,1,0,0|0,0,0]=2 980 B8R1.11 NC[C@H]1COC[C@@H]1O I-9779 [0,1,0,1,0,0|1,0,0]=3 981 B8R1.11 O=C1NCCC1CO L13115 [0,1,0,1,0,0|1,0,1]=4 982 B8R1.11 OCC1NCCC1F Q59328 [0,1,0,1,0,0|1,0,0]=3 983 B8R1.11 OC[C@@H]1CC=C[C@@H]1O Q55742 [0,1,0,1,0,0|0,0,2]=4 984 B8R1.11 OC[C@H]1NCC[C@@H]1O S72491 [0,1,0,1,0,0|1,0,0]=3 985 B8R1.12 COC1CCC1CN P44996 [0,1,0,1,0,0|1,0,0]=3 986 B8R1.12 COC1CCC1CO P50853 [0,1,0,1,0,0|0,0,0]=2 987 B8R1.12 CO[C@@H]1CC[C@@H]1CO P50822 [0,1,0,1,0,0|0,0,0]=2 988 B8R1.12 CO[C@@H]1CC[C@H]1CO P50819 [0,1,0,1,0,0|0,0,0]=2 989 B8R1.12 NCC1CCC1CF P48302 [0,1,0,1,0,0|1,0,0]=3 990 B8R1.12 OCC1CCC1CO P45532 [0,1,0,1,0,0|0,0,0]=2 991 B8R1.13 CNCC1CCC1F P47231 [0,1,0,1,0,0|1,0,0]=3 992 B8R1.13 COCC1CCC1N P47021 [0,1,0,1,0,0|1,0,0]=3 993 B8R1.13 COCC1CCC1N P47931 [0,1,0,1,0,0|1,0,0]=3 994 B8R1.13 COC[C@H]1CC[C@@H]1N P46988 [0,1,0,1,0,0|1,0,0]=3 995 B8R1.13 COC[C@H]1CC[C@@H]1N P46994 [0,1,0,1,0,0|1,0,0]=3 996 B8R1.13 COC[C@H]1CC[C@H]1N P46962 [0,1,0,1,0,0|1,0,0]=3 997 B8R1.13 COC[C@H]1CC[C@H]1N P46995 [0,1,0,1,0,0|1,0,0]=3 998 B8R1.22 BrC1CCCCCC1 P39447 [0,1,0,1,0,0|1,0,0]=3 999 B8R1.22 CC1CCNCCN1 L14127 [0,1,0,1,0,0|1,0,0]=3 1000 B8R1.22 FC1CCCNCC1 L18431 [0,1,0,1,0,0|1,0,0]=3 1001 B8R1.22 O=C1CCCNCC1 A-576 [0,1,0,1,0,0|0,0,2]=4 1002 B8R1.22 OC1CNCCNC1 P46534 [0,1,0,1,0,0|1,0,0]=3 1003 B8R1.36 NCCNCC1CC1 P49859 [0,1,0,1,0,0|1,0,0]=3 1004 B8R1.1 CC1CC(CO)CN1 Q61629 [0,1,0,1,0,0|1,0,0]=3 1005 B8R1.1 CCC1CCC(C)N1 Q59319 [0,1,0,1,0,0|1,0,0]=3 1006 B8R1.1 CCN1CCC(N)C1 L21975 [0,1,0,1,0,0|2,0,0]=4 1007 B8R1.1 CCN1CCC(N)C1 O30179 [0,1,0,1,0,0|2,0,0]=4 1008 B8R1.1 CCN1CC[C@@H](N)C1 L21955 [0,1,0,1,0,0|2,0,0]=4 1009 B8R1.1 CCN1CC[C@H](N)C1 L21974 [0,1,0,1,0,0|2,0,0]=4 1010 B8R1.1 CN1CCC(CO)C1 O34373 [0,1,0,1,0,0|1,0,0]=3 1011 B8R1.1 CN1CC[C@@H](CN)C1 I-9757 [0,1,0,1,0,0|2,0,0]=4 1012 B8R1.1 CN1CC[C@@H](CN)C1 L14238 [0,1,0,1,0,0|2,0,0]=4 1013 B8R1.1 CN1CC[C@@H](CO)C1 G-5013 [0,1,0,1,0,0|1,0,0]=3 1014 B8R1.1 CN1CC[C@H](CN)C1 I-9844 [0,1,0,1,0,0|2,0,0]=4 1015 B8R1.1 CN1CC[C@H](CO)C1 G-5012 [0,1,0,1,0,0|1,0,0]=3 1016 B8R1.1 COC1CCC(N)C1 L22158 [0,1,0,1,0,0|2,0,0]=4 1017 B8R1.1 COC1CCC(N)C1 Q52668 [0,1,0,1,0,0|2,0,0]=4 1018 B8R1.1 COC1CCC(O)C1 Q57014 [0,1,0,1,0,0|1,0,0]=3 1019 B8R1.1 CO[C@@H]1CC[C@@H](N)C1 O33204 [0,1,0,1,0,0|2,0,0]=4 1020 B8R1.1 CO[C@@H]1CC[C@@H](N)C1 Q64245 [0,1,0,1,0,0|2,0,0]=4 1021 B8R1.1 CO[C@@H]1CC[C@@H](O)C1 Q56989 [0,1,0,1,0,0|1,0,0]=3 1022 B8R1.1 CO[C@@H]1CC[C@H](N)C1 Q64243 [0,1,0,1,0,0|2,0,0]=4 1023 B8R1.1 CO[C@@H]1CC[C@H](N)C1 Q64248 [0,1,0,1,0,0|2,0,0]=4 1024 B8R1.1 CO[C@@H]1CC[C@H](O)C1 Q57013 [0,1,0,1,0,0|1,0,0]=3 1025 B8R1.1 CO[C@H]1CC[C@@H](N)C1 O33413 [0,1,0,1,0,0|2,0,0]=4 1026 B8R1.1 CO[C@H]1CC[C@@H](N)C1 Q64247 [0,1,0,1,0,0|2,0,0]=4 1027 B8R1.1 CO[C@H]1CC[C@H](N)C1 Q64244 [0,1,0,1,0,0|2,0,0]=4 1028 B8R1.1 CO[C@H]1CC[C@H](N)C1 Q64246 [0,1,0,1,0,0|2,0,0]=4 1029 B8R1.1 C[C@@H]1CC[C@H](CO)N1 Q59341 [0,1,0,1,0,0|0,0,0]=2 1030 B8R1.1 C[C@@H]1CN[C@H](CO)C1 Q64749 [0,1,0,1,0,0|1,0,0]=3 1031 B8R1.1 C[C@H]1C[C@@H](CO)CN1 Q61880 [0,1,0,1,0,0|1,0,0]=3 1032 B8R1.1 C[C@H]1C[C@H](CO)CN1 Q61879 [0,1,0,1,0,0|1,0,0]=3 1033 B8R1.1 N#CC1CCC(N)C1 K10849 [0,1,0,1,0,0|1,0,1]=4 1034 B8R1.1 N#CC1CCC(N)C1 P50558 [0,1,0,1,0,0|1,0,1]=4 1035 B8R1.1 N#CC1CCC(N)C1 Q54476 [0,1,0,1,0,0|1,0,1]=4 1036 B8R1.1 N#C[C@@H]1CC[C@H](N)C1 K10963 [0,1,0,1,0,0|1,0,1]=4 1037 B8R1.1 NCC1CC(O)CN1 Q59300 [0,1,0,1,0,0|2,0,0]=4 1038 B8R1.1 NCC1CCC(F)C1 Q52913 [0,1,0,1,0,0|1,0,0]=3 1039 B8R1.1 NC[C@@H]1CC[C@@H](F)C1 Q52915 [0,1,0,1,0,0|1,0,0]=3 1040 B8R1.1 NC[C@@H]1CC[C@@H](O)C1 Q57119 [0,1,0,1,0,0|1,0,0]=3 1041 B8R1.1 NC[C@@H]1CC[C@H](O)C1 Q57118 [0,1,0,1,0,0|1,0,0]=3 1042 B8R1.1 NC[C@H]1CC[C@@H](F)C1 Q52914 [0,1,0,1,0,0|1,0,0]=3 1043 B8R1.1 NC[C@H]1CC[C@@H](O)C1 Q57121 [0,1,0,1,0,0|1,0,0]=3 1044 B8R1.1 NC[C@H]1CC[C@H](O)C1 Q57120 [0,1,0,1,0,0|1,0,0]=3 1045 B8R1.1 O=C1CC(CO)CN1 M22864 [0,1,0,1,0,0|1,0,1]=4 1046 B8R1.1 O=C1CC(CO)CO1 H-8701 [0,1,0,1,0,0|1,0,1]=4 1047 B8R1.1 O=C1CCC(CO)C1 Q62791 [0,1,0,1,0,0|0,0,1]=3 1048 B8R1.1 O=C1CCC(CO)N1 M23573 [0,1,0,1,0,0|1,0,1]=4 1049 B8R1.1 O=C1CC[C@@H](CBr)C1 Q64130 [0,1,0,1,0,0|1,0,1]=4 1050 B8R1.1 O=C1CC[C@@H](CO)C1 Q62794 [0,1,0,1,0,0|0,0,1]=3 1051 B8R1.1 O=C1CC[C@@H](CO)O1 K12361 [0,1,0,1,0,0|1,0,1]=4 1052 B8R1.1 O=C1CC[C@H](CBr)C1 Q64129 [0,1,0,1,0,0|1,0,1]=4 1053 B8R1.1 O=C1CC[C@H](CO)C1 Q62792 [0,1,0,1,0,0|0,0,1]=3 1054 B8R1.1 O=CC1CCC(O)C1 Q56985 [0,1,0,1,0,0|0,0,2]=4 1055 B8R1.1 OCC1CC(O)CN1 Q59342 [0,1,0,1,0,0|1,0,0]=3 1056 B8R1.1 OCC1CCC(F)C1 Q52910 [0,1,0,1,0,0|0,0,0]=2 1057 B8R1.1 OC[C@@H]1CC[C@@H](F)C1 Q52912 [0,1,0,1,0,0|0,0,0]=2 1058 B8R1.1 OC[C@@H]1C[C@@H](F)CN1 Q61815 [0,1,0,1,0,0|1,0,0]=3 1059 B8R1.1 OC[C@@H]1C[C@@H](O)CN1 H-8224 [0,1,0,1,0,0|1,0,0]=3 1060 B8R1.1 OC[C@@H]1C[C@@H](O)CN1 L13519 [0,1,0,1,0,0|1,0,0]=3 1061 B8R1.1 OC[C@@H]1C[C@H](F)CN1 H-8865 [0,1,0,1,0,0|1,0,0]=3 1062 B8R1.1 OC[C@@H]1C[C@H](O)CN1 P48680 [0,1,0,1,0,0|1,0,0]=3 1063 B8R1.1 OC[C@H]1CC[C@@H](F)C1 Q52911 [0,1,0,1,0,0|0,0,0]=2 1064 B8R1.1 OC[C@H]1C[C@@H](F)CN1 Q61817 [0,1,0,1,0,0|1,0,0]=3 1065 B8R1.1 OC[C@H]1C[C@H](F)CN1 Q61816 [0,1,0,1,0,0|1,0,0]=3 1066 B8R1.1 OC[C@H]1C[C@H](O)CN1 Q61647 [0,1,0,1,0,0|1,0,0]=3 1067 B8R1.3 C=C1CCC(N)CC1 L19013 [0,1,0,1,0,0|1,0,1]=4 1068 B8R1.3 CC1CCC(F)CN1 Q64642 [0,1,0,1,0,0|1,0,0]=3 1069 B8R1.3 CC1CCC(O)CN1 Q61256 [0,1,0,1,0,0|1,0,0]=3 1070 B8R1.3 CC1CCC(O)CN1 Q61257 [0,1,0,1,0,0|1,0,0]=3 1071 B8R1.3 CC1COC(C)CN1 P42779 [0,1,0,1,0,0|1,0,0]=3 1072 B8R1.3 CN1CCC(I)CC1 Q65219 [0,1,0,1,0,0|2,0,0]=4 1073 B8R1.3 CN1CCC(N)CC1 G-5240 [0,1,0,1,0,0|2,0,0]=4 1074 B8R1.3 C[C@@H]1CCC(=O)CN1 Q56751 [0,1,0,1,0,0|1,0,1]=4 1075 B8R1.3 C[C@@H]1CCC(=O)CN1 Q56752 [0,1,0,1,0,0|1,0,1]=4 1076 B8R1.3 C[C@@H]1CC[C@@H](O)CN1 Q56745 [0,1,0,1,0,0|1,0,0]=3 1077 B8R1.3 C[C@@H]1CC[C@H](O)CN1 P45650 [0,1,0,1,0,0|1,0,0]=3 1078 B8R1.3 C[C@@H]1CC[C@H](O)CN1 Q56748 [0,1,0,1,0,0|1,0,0]=3 1079 B8R1.3 C[C@@H]1CC[C@H](O)CN1 Q56749 [0,1,0,1,0,0|1,0,0]=3 1080 B8R1.3 C[C@@H]1CO[C@H](C)CN1 H-8048 [0,1,0,1,0,0|1,0,0]=3 1081 B8R1.3 C[C@@H]1CO[C@H](C)CN1 K16121 [0,1,0,1,0,0|1,0,0]=3 1082 B8R1.3 C[C@H]1CCC(=O)CN1 Q56753 [0,1,0,1,0,0|1,0,1]=4 1083 B8R1.3 C[C@H]1CCC(=O)CN1 Q56754 [0,1,0,1,0,0|1,0,1]=4 1084 B8R1.3 C[C@H]1CC[C@@H](O)CN1 P50092 [0,1,0,1,0,0|1,0,0]=3 1085 B8R1.3 C[C@H]1CC[C@@H](O)CN1 Q56719 [0,1,0,1,0,0|1,0,0]=3 1086 B8R1.3 C[C@H]1CC[C@H](N)CC1 P45887 [0,1,0,1,0,0|1,0,0]=3 1087 B8R1.3 C[C@H]1CC[C@H](O)CN1 Q56728 [0,1,0,1,0,0|1,0,0]=3 1088 B8R1.3 C[C@H]1CC[C@H](O)CN1 Q56729 [0,1,0,1,0,0|1,0,0]=3 1089 B8R1.3 C[C@H]1CN[C@@H](C)CN1 G-7097 [0,1,0,1,0,0|2,0,0]=4 1090 B8R1.3 C[C@H]1CN[C@H](C)CO1 F-4331 [0,1,0,1,0,0|1,0,0]=3 1091 B8R1.3 C[C@H]1CO[C@@H](C)CN1 M23096 [0,1,0,1,0,0|1,0,0]=3 1092 B8R1.3 C[C@H]1CO[C@@H](C)CN1 O32398 [0,1,0,1,0,0|1,0,0]=3 1093 B8R1.3 C[C@H]1CO[C@H](C)CN1 H-8444 [0,1,0,1,0,0|1,0,0]=3 1094 B8R1.3 NC1CCC(=O)CC1 P36686 [0,1,0,1,0,0|0,0,2]=4 1095 B8R1.3 NC1CCC(F)CC1 P48099 [0,1,0,1,0,0|1,0,0]=3 1096 B8R1.3 NC1CCC(F)CC1 Q57430 [0,1,0,1,0,0|1,0,0]=3 1097 B8R1.3 NC1CCC(O)CC1 P44662 [0,1,0,1,0,0|0,0,0]=2 1098 B8R1.3 NC1CCC(O)CC1 P44669 [0,1,0,1,0,0|0,0,0]=2 1099 B8R1.3 NC1CCS(=O)CC1 Q54883 [0,1,0,1,0,0|1,0,1]=4 1100 B8R1.3 NC1CCS(=O)CC1 Q54884 [0,1,0,1,0,0|1,0,1]=4 1101 B8R1.3 NN1CCC(O)CC1 P51626 [0,1,0,1,0,0|1,0,0]=3 1102 B8R1.3 N[C@H]1CC[C@@H](F)CC1 P44838 [0,1,0,1,0,0|1,0,0]=3 1103 B8R1.3 N[C@H]1CC[C@@H](O)CC1 L13980 [0,1,0,1,0,0|0,0,0]=2 1104 B8R1.3 N[C@H]1CC[C@H](F)CC1 P44837 [0,1,0,1,0,0|1,0,0]=3 1105 B8R1.3 N[C@H]1CC[C@H](N)CC1 Q69448 [0,1,0,1,0,0|1,0,0]=3 1106 B8R1.3 N[C@H]1CC[C@H](O)CC1 G-6922 [0,1,0,1,0,0|0,0,0]=2 1107 B8R1.3 N[C@H]1CC[C@H](O)CC1 P45541 [0,1,0,1,0,0|0,0,0]=2 1108 B8R1.3 O=C1CCC(Br)CC1 P39565 [0,1,0,1,0,0|0,0,2]=4 1109 B8R1.3 O=C1CCC(F)CC1 L21631 [0,1,0,1,0,0|0,0,2]=4 1110 B8R1.3 O=C1CC[C@H](O)CN1 Q52728 [0,1,0,1,0,0|1,0,1]=4 1111 B8R1.3 O=S1CCC(O)CC1 Q57900 [0,1,0,1,0,0|1,0,0]=3 1112 B8R1.3 OC1CCC(Br)CC1 P44927 [0,1,0,1,0,0|0,0,0]=2 1113 B8R1.3 OC1CCC(F)CC1 P43964 [0,1,0,1,0,0|0,0,0]=2 1114 B8R1.3 OC1COC(O)CO1 G-7937 [0,1,0,1,0,0|2,0,0]=4 1115 B8R1.3 O[C@H]1CC[C@@H](F)CC1 P44855 [0,1,0,1,0,0|0,0,0]=2 1116 B8R1.3 O[C@H]1CC[C@@H](O)CC1 L13038 [0,1,0,1,0,0|0,0,0]=2 1117 B8R1.3 O[C@H]1CC[C@H](F)CC1 P47218 [0,1,0,1,0,0|0,0,0]=2 1118 B8R1.3 O[C@H]1CC[C@H](S)CC1 P45358 [0,1,0,1,0,0|0,0,0]=2 1119 B8R1.38 CC(CN)C1CCO1 Q56203 [0,1,0,1,0,0|1,0,0]=3 1120 B8R1.38 CC(CN)C1COC1 Q55850 [0,1,0,1,0,0|2,0,0]=4 1121 B8R1.38 CC(CO)C1CCO1 O32942 [0,1,0,1,0,0|1,0,0]=3 1122 B8R1.38 CC(CO)C1CNC1 P50152 [0,1,0,1,0,0|1,0,0]=3 1123 B8R1.38 CC(CO)C1COC1 Q55849 [0,1,0,1,0,0|1,0,0]=3 1124 B8R1.38 CC(CO)N1CCC1 P46846 [0,1,0,1,0,0|1,0,0]=3 1125 B8R1.38 CCC(=O)C1CCC1 P45339 [0,1,0,1,0,0|1,0,1]=4 1126 B8R1.38 CCC(F)C1CNC1 P47119 [0,1,0,1,0,0|2,0,0]=4 1127 B8R1.38 CCC(O)C1CCC1 P48473 [0,1,0,1,0,0|1,0,0]=3 1128 B8R1.38 CCC(O)C1COC1 Q56141 [0,1,0,1,0,0|2,0,0]=4 1129 B8R1.38 CNC(C)C1CCC1 P48247 [0,1,0,1,0,0|2,0,0]=4 1130 B8R1.38 C[C@@H](CO)N1CCC1 P48675 [0,1,0,1,0,0|1,0,0]=3 1131 B8R1.38 N#CC(O)C1CCC1 P47263 [0,1,0,1,0,0|1,0,1]=4 1132 B8R1.38 NC(CO)C1CCC1 P41858 [0,1,0,1,0,0|0,0,0]=2 1133 B8R1.38 NCC(=O)C1CCC1 L19863 [0,1,0,1,0,0|1,0,1]=4 1134 B8R1.38 NCC(F)C1COC1 Q63098 [0,1,0,1,0,0|2,0,0]=4 1135 B8R1.38 NCC(N)C1CCC1 P47103 [0,1,0,1,0,0|1,0,0]=3 1136 B8R1.38 NCC(N)C1CCC1 P48948 [0,1,0,1,0,0|1,0,0]=3 1137 B8R1.38 NCC(O)C1CCC1 P45275 [0,1,0,1,0,0|1,0,0]=3 1138 B8R1.38 NCC(O)C1CCC1 P46691 [0,1,0,1,0,0|1,0,0]=3 1139 B8R1.38 N[C@@H](CO)C1CCC1 P42021 [0,1,0,1,0,0|0,0,0]=2 1140 B8R1.38 N[C@H](CO)C1CCC1 P42020 [0,1,0,1,0,0|0,0,0]=2 1141 B8R1.38 O=C(CBr)C1CCC1 P44370 [0,1,0,1,0,0|1,0,1]=4 1142 B8R1.38 O=C(CCl)C1CCC1 P45495 [0,1,0,1,0,0|1,0,1]=4 1143 B8R1.38 O=C(CO)C1CCC1 P45459 [0,1,0,1,0,0|0,0,1]=3 1144 B8R1.38 O=C(NO)C1CCC1 P45195 [0,1,0,1,0,0|1,0,1]=4 1145 B8R1.38 OCC(O)C1CCC1 P44874 [0,1,0,1,0,0|0,0,0]=2 1146 B8R1.40 N[C@@H](CO)CC1CC1 P42901 [0,1,0,1,0,0|0,0,0]=2 1147 B8R1.40 N[C@H](CO)CC1CC1 P42900 [0,1,0,1,0,0|0,0,0]=2 1148 B8R1.47 CCN1CC(CN)C1 P44000 [0,1,0,1,0,0|2,0,0]=4 1149 B8R1.47 CCN1CC(CO)C1 P47028 [0,1,0,1,0,0|1,0,0]=3 1150 B8R1.47 CNC1CC(CO)C1 P47962 [0,1,0,1,0,0|1,0,0]=3 1151 B8R1.47 CN[C@H]1C[C@@H](CO)C1 P48959 [0,1,0,1,0,0|1,0,0]=3 1152 B8R1.47 CN[C@H]1C[C@H](CO)C1 P48831 [0,1,0,1,0,0|1,0,0]=3 1153 B8R1.47 COC1CC(CN)C1 P44011 [0,1,0,1,0,0|2,0,0]=4 1154 B8R1.47 COC1CC(CO)C1 P45045 [0,1,0,1,0,0|1,0,0]=3 1155 B8R1.47 CO[C@H]1C[C@@H](CN)C1 L21686 [0,1,0,1,0,0|2,0,0]=4 1156 B8R1.47 CO[C@H]1C[C@@H](CN)C1 P43904 [0,1,0,1,0,0|2,0,0]=4 1157 B8R1.47 CO[C@H]1C[C@@H](CO)C1 P44710 [0,1,0,1,0,0|1,0,0]=3 1158 B8R1.47 CO[C@H]1C[C@H](CN)C1 O33186 [0,1,0,1,0,0|2,0,0]=4 1159 B8R1.47 CO[C@H]1C[C@H](CN)C1 P48158 [0,1,0,1,0,0|2,0,0]=4 1160 B8R1.47 CO[C@H]1C[C@H](CO)C1 P46301 [0,1,0,1,0,0|1,0,0]=3 1161 B8R1.47 N#CC1CC(CO)C1 P44253 [0,1,0,1,0,0|1,0,1]=4 1162 B8R1.47 NCC1CC(CO)C1 P46501 [0,1,0,1,0,0|1,0,0]=3 1163 B8R1.47 NC[C@H]1C[C@@H](CO)C1 P47261 [0,1,0,1,0,0|1,0,0]=3 1164 B8R1.47 NC[C@H]1C[C@H](CO)C1 P47260 [0,1,0,1,0,0|1,0,0]=3 1165 B8R1.47 OCC1CC(CO)C1 P44928 [0,1,0,1,0,0|1,0,0]=3 1166 B8R1.47 OC[C@H]1C[C@@H](CO)C1 P45903 [0,1,0,1,0,0|1,0,0]=3 1167 B8R1.47 OC[C@H]1C[C@H](CO)C1 P45192 [0,1,0,1,0,0|1,0,0]=3 1168 B8R1.50 C[C@@H]1CC[C@@H](O)[C@H]1N Q53610 [0,1,0,1,0,0|1,0,0]=3 1169 B8R1.50 C[C@H]1CC[C@H](O)[C@@H]1N Q53609 [0,1,0,1,0,0|1,0,0]=3 1170 B8R1.52 C#CC1(O)CCCC1 P40546 [0,1,0,1,0,0|1,0,1]=4 1171 B8R1.52 CC1(C=O)CCCC1 Q57127 [0,1,0,1,0,0|0,0,2]=4 1172 B8R1.52 CC1(CN)CCCC1 Q59146 [0,1,0,1,0,0|1,0,0]=3 1173 B8R1.52 CC1(CN)CCCO1 G-6526 [0,1,0,1,0,0|1,0,0]=3 1174 B8R1.52 CC1(CN)CCCO1 O33458 [0,1,0,1,0,0|1,0,0]=3 1175 B8R1.52 CC1(CN)CCNC1 G-7781 [0,1,0,1,0,0|2,0,0]=4 1176 B8R1.52 CC1(CN)CCNC1 Q52200 [0,1,0,1,0,0|2,0,0]=4 1177 B8R1.52 CC1(CN)CCOC1 G-7380 [0,1,0,1,0,0|2,0,0]=4 1178 B8R1.52 CC1(CO)CCCC1 P38391 [0,1,0,1,0,0|0,0,0]=2 1179 B8R1.52 CC1(CO)CCCN1 S72618 [0,1,0,1,0,0|1,0,0]=3 1180 B8R1.52 CCC1(C)CCNC1 Q61657 [0,1,0,1,0,0|2,0,0]=4 1181 B8R1.52 CCC1(F)CCNC1 Q61801 [0,1,0,1,0,0|2,0,0]=4 1182 B8R1.52 C[C@@]1(CO)CCCN1 G-7385 [0,1,0,1,0,0|1,0,0]=3 1183 B8R1.52 C[C@]1(CO)CCCN1 G-7388 [0,1,0,1,0,0|1,0,0]=3 1184 B8R1.52 FC1(CBr)CCCC1 Q61871 [0,1,0,1,0,0|1,0,0]=3 1185 B8R1.52 FC1(CBr)CCNC1 Q55058 [0,1,0,1,0,0|2,0,0]=4 1186 B8R1.52 N#CC1(N)CCCC1 P40815 [0,1,0,1,0,0|1,0,1]=4 1187 B8R1.52 N#CC1(O)CCCC1 P37734 [0,1,0,1,0,0|1,0,1]=4 1188 B8R1.52 NC1(CO)CCCC1 P42933 [0,1,0,1,0,0|0,0,0]=2 1189 B8R1.52 NC1(CO)CCNC1 K12029 [0,1,0,1,0,0|1,0,0]=3 1190 B8R1.52 NC1(CO)CCOC1 G-6440 [0,1,0,1,0,0|1,0,0]=3 1191 B8R1.52 NCC1(F)CCCC1 O33113 [0,1,0,1,0,0|1,0,0]=3 1192 B8R1.52 NCC1(O)CCCC1 O33303 [0,1,0,1,0,0|1,0,0]=3 1193 B8R1.52 NCC1(O)CCCC1 Q52143 [0,1,0,1,0,0|1,0,0]=3 1194 B8R1.52 OC1(CF)CCNC1 G-5039 [0,1,0,1,0,0|2,0,0]=4 1195 B8R1.52 OCC1(F)CCCC1 Q57007 [0,1,0,1,0,0|0,0,0]=2 1196 B8R1.52 OCC1(F)CCNC1 Q52107 [0,1,0,1,0,0|1,0,0]=3 1197 B8R1.52 OCC1(F)CCNC1 Q52108 [0,1,0,1,0,0|1,0,0]=3 1198 B8R1.52 OCC1(O)CCNC1 L18123 [0,1,0,1,0,0|1,0,0]=3 1199 B8R1.52 OCC1(O)CCNC1 Q56447 [0,1,0,1,0,0|1,0,0]=3 1200 B8R1.52 OC[C@@]1(F)CCNC1 Q62186 [0,1,0,1,0,0|1,0,0]=3 1201 B8R1.52 OC[C@]1(F)CCNC1 Q62187 [0,1,0,1,0,0|1,0,0]=3 1202 B8R1.58 CC1(C#N)CCC1O P45813 [0,1,0,1,0,0|1,0,1]=4 1203 B8R1.58 CCC1(C)CCC1=O P45220 [0,1,0,1,0,0|0,0,2]=4 1204 B8R1.58 CCC1(C)OCC1N Q55852 [0,1,0,1,0,0|2,0,0]=4 1205 B8R1.4 C=C1CCOC(C)C1 Q54980 [0,1,0,1,0,0|0,0,1]=3 1206 B8R1.4 CC1CC(=O)CCN1 D-2514 [0,1,0,1,0,0|1,0,1]=4 1207 B8R1.4 CC1CC(=O)CCO1 A-836 [0,1,0,1,0,0|0,0,1]=3 1208 B8R1.4 CC1CC(Br)CCO1 Q57805 [0,1,0,1,0,0|0,0,0]=2 1209 B8R1.4 CC1CC(N)CCO1 A-878 [0,1,0,1,0,0|0,0,0]=2 1210 B8R1.4 CC1CC(O)CCN1 G-7300 [0,1,0,1,0,0|1,0,0]=3 1211 B8R1.4 CC1CC(O)CCN1 L21311 [0,1,0,1,0,0|1,0,0]=3 1212 B8R1.4 CC1CC(O)CCO1 A-877 [0,1,0,1,0,0|0,0,0]=2 1213 B8R1.4 CC1CNCC(F)C1 Q54411 [0,1,0,1,0,0|2,0,0]=4 1214 B8R1.4 CN1CCCC(N)C1 C-3293 [0,1,0,1,0,0|2,0,0]=4 1215 B8R1.4 CN1CCCC(O)C1 C-3297 [0,1,0,1,0,0|1,0,0]=3 1216 B8R1.4 CN1CCC[C@@H](N)C1 C-2766 [0,1,0,1,0,0|2,0,0]=4 1217 B8R1.4 CN1CCC[C@@H](N)C1 I-9583 [0,1,0,1,0,0|2,0,0]=4 1218 B8R1.4 CN1CCC[C@@H](O)C1 G-5242 [0,1,0,1,0,0|1,0,0]=3 1219 B8R1.4 CN1CCC[C@H](N)C1 C-2767 [0,1,0,1,0,0|2,0,0]=4 1220 B8R1.4 CN1CCC[C@H](N)C1 G-5241 [0,1,0,1,0,0|2,0,0]=4 1221 B8R1.4 CN1CCC[C@H](O)C1 G-5243 [0,1,0,1,0,0|1,0,0]=3 1222 B8R1.4 C[C@@H]1CC(=O)CCN1 G-7641 [0,1,0,1,0,0|1,0,1]=4 1223 B8R1.4 C[C@@H]1CC(=O)CCO1 H-8404 [0,1,0,1,0,0|0,0,1]=3 1224 B8R1.4 C[C@@H]1CCC[C@@H](C)N1 Q65231 [0,1,0,1,0,0|1,0,0]=3 1225 B8R1.4 C[C@@H]1CCC[C@@H](C)N1 Q65232 [0,1,0,1,0,0|1,0,0]=3 1226 B8R1.4 C[C@@H]1CCC[C@@H](N)C1 P49440 [0,1,0,1,0,0|1,0,0]=3 1227 B8R1.4 C[C@@H]1CCC[C@@H](O)C1 P45249 [0,1,0,1,0,0|0,0,0]=2 1228 B8R1.4 C[C@@H]1CCC[C@@H](O)C1 P45891 [0,1,0,1,0,0|0,0,0]=2 1229 B8R1.4 C[C@@H]1CCC[C@H](N)C1 P45362 [0,1,0,1,0,0|1,0,0]=3 1230 B8R1.4 C[C@@H]1CCC[C@H](N)C1 P49441 [0,1,0,1,0,0|1,0,0]=3 1231 B8R1.4 C[C@@H]1CCC[C@H](O)C1 P45486 [0,1,0,1,0,0|0,0,0]=2 1232 B8R1.4 C[C@@H]1CCC[C@H](O)C1 P45892 [0,1,0,1,0,0|0,0,0]=2 1233 B8R1.4 C[C@@H]1CN(C)CCN1 L13059 [0,1,0,1,0,0|2,0,0]=4 1234 B8R1.4 C[C@@H]1CN(C)CCN1 O33264 [0,1,0,1,0,0|2,0,0]=4 1235 B8R1.4 C[C@@H]1CN(C)CCN1 P51464 [0,1,0,1,0,0|2,0,0]=4 1236 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 10039 [0,1,0,1,0,0|2,0,0]=4 1237 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 G-7092 [0,1,0,1,0,0|2,0,0]=4 1238 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 I-9064 [0,1,0,1,0,0|2,0,0]=4 1239 B8R1.4 C[C@@H]1COC[C@@H](C)N1 F-4699 [0,1,0,1,0,0|2,0,0]=4 1240 B8R1.4 C[C@@H]1COC[C@@H](C)N1 H-8097 [0,1,0,1,0,0|2,0,0]=4 1241 B8R1.4 C[C@@H]1COC[C@@H](C)N1 L21766 [0,1,0,1,0,0|2,0,0]=4 1242 B8R1.4 C[C@@H]1C[C@H](F)CCN1 Q63705 [0,1,0,1,0,0|1,0,0]=3 1243 B8R1.4 C[C@@H]1C[C@H](N)CCO1 Q61448 [0,1,0,1,0,0|0,0,0]=2 1244 B8R1.4 C[C@@H]1C[C@H](O)CCN1 G-6431 [0,1,0,1,0,0|1,0,0]=3 1245 B8R1.4 C[C@@H]1C[C@H](O)CCN1 Q56468 [0,1,0,1,0,0|1,0,0]=3 1246 B8R1.4 C[C@H]1CC(=O)CCN1 G-6964 [0,1,0,1,0,0|1,0,1]=4 1247 B8R1.4 C[C@H]1CC(=O)CCN1 G-7640 [0,1,0,1,0,0|1,0,1]=4 1248 B8R1.4 C[C@H]1CC(=O)CCN1 Q61425 [0,1,0,1,0,0|1,0,1]=4 1249 B8R1.4 C[C@H]1CC(=O)CCO1 A-837 [0,1,0,1,0,0|0,0,1]=3 1250 B8R1.4 C[C@H]1CCC[C@@H](N)C1 P45360 [0,1,0,1,0,0|1,0,0]=3 1251 B8R1.4 C[C@H]1CCC[C@@H](O)C1 P45893 [0,1,0,1,0,0|0,0,0]=2 1252 B8R1.4 C[C@H]1CCC[C@H](C)N1 Q65229 [0,1,0,1,0,0|1,0,0]=3 1253 B8R1.4 C[C@H]1CCC[C@H](C)N1 Q65230 [0,1,0,1,0,0|1,0,0]=3 1254 B8R1.4 C[C@H]1CCC[C@H](N)C1 P45361 [0,1,0,1,0,0|1,0,0]=3 1255 B8R1.4 C[C@H]1CCC[C@H](O)C1 P45546 [0,1,0,1,0,0|0,0,0]=2 1256 B8R1.4 C[C@H]1CN(C)CCN1 O34294 [0,1,0,1,0,0|2,0,0]=4 1257 B8R1.4 C[C@H]1CNC[C@@H](C)N1 G-5759 [0,1,0,1,0,0|2,0,0]=4 1258 B8R1.4 C[C@H]1CNC[C@H](C)N1 G-7093 [0,1,0,1,0,0|2,0,0]=4 1259 B8R1.4 C[C@H]1CNC[C@H](C)N1 K12343 [0,1,0,1,0,0|2,0,0]=4 1260 B8R1.4 C[C@H]1CNC[C@H](C)O1 G-6092 [0,1,0,1,0,0|1,0,0]=3 1261 B8R1.4 C[C@H]1CNC[C@H](C)O1 H-8075 [0,1,0,1,0,0|1,0,0]=3 1262 B8R1.4 C[C@H]1COC[C@@H](C)N1 G-7868 [0,1,0,1,0,0|2,0,0]=4 1263 B8R1.4 C[C@H]1C[C@@H](F)CCN1 Q63704 [0,1,0,1,0,0|1,0,0]=3 1264 B8R1.4 C[C@H]1C[C@@H](O)CCN1 G-6430 [0,1,0,1,0,0|1,0,0]=3 1265 B8R1.4 C[C@H]1C[C@@H](O)CCN1 Q56467 [0,1,0,1,0,0|1,0,0]=3 1266 B8R1.4 F[C@@H]1CNC[C@@H](F)C1 Q63549 [0,1,0,1,0,0|2,0,0]=4 1267 B8R1.4 F[C@@H]1CNC[C@H](F)C1 Q63548 [0,1,0,1,0,0|2,0,0]=4 1268 B8R1.4 NC1CCCC(=O)C1 P48005 [0,1,0,1,0,0|0,0,2]=4 1269 B8R1.4 NC1CCCC(F)C1 P48941 [0,1,0,1,0,0|1,0,0]=3 1270 B8R1.4 NC1CCCC(O)C1 F-4485 [0,1,0,1,0,0|0,0,0]=2 1271 B8R1.4 NC1CCCC(O)C1 P51354 [0,1,0,1,0,0|0,0,0]=2 1272 B8R1.4 NC1COCC(Br)C1 Q54615 [0,1,0,1,0,0|2,0,0]=4 1273 B8R1.4 NC1COCC(F)C1 Q61513 [0,1,0,1,0,0|2,0,0]=4 1274 B8R1.4 NC1COCC(O)C1 O33183 [0,1,0,1,0,0|1,0,0]=3 1275 B8R1.4 NC1COCC(O)C1 Q61082 [0,1,0,1,0,0|1,0,0]=3 1276 B8R1.4 N[C@@H]1CCC[C@@H](N)C1 P45856 [0,1,0,1,0,0|1,0,0]=3 1277 B8R1.4 N[C@@H]1CCC[C@@H](N)C1 P50869 [0,1,0,1,0,0|1,0,0]=3 1278 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 L14375 [0,1,0,1,0,0|0,0,0]=2 1279 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 P45284 [0,1,0,1,0,0|0,0,0]=2 1280 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 P46977 [0,1,0,1,0,0|0,0,0]=2 1281 B8R1.4 N[C@@H]1CCC[C@H](O)C1 P44060 [0,1,0,1,0,0|0,0,0]=2 1282 B8R1.4 N[C@@H]1COC[C@@H](N)C1 Q61081 [0,1,0,1,0,0|2,0,0]=4 1283 B8R1.4 N[C@@H]1COC[C@@H](O)C1 Q54626 [0,1,0,1,0,0|1,0,0]=3 1284 B8R1.4 N[C@@H]1COC[C@H](N)C1 Q61080 [0,1,0,1,0,0|2,0,0]=4 1285 B8R1.4 N[C@@H]1COC[C@H](O)C1 Q54624 [0,1,0,1,0,0|1,0,0]=3 1286 B8R1.4 N[C@@H]1COC[C@H](O)C1 Q54625 [0,1,0,1,0,0|1,0,0]=3 1287 B8R1.4 N[C@H]1CCC[C@@H](F)C1 P48942 [0,1,0,1,0,0|1,0,0]=3 1288 B8R1.4 N[C@H]1CCC[C@@H](F)C1 P50330 [0,1,0,1,0,0|1,0,0]=3 1289 B8R1.4 N[C@H]1CCC[C@@H](N)C1 L14628 [0,1,0,1,0,0|1,0,0]=3 1290 B8R1.4 N[C@H]1CCC[C@@H](N)C1 P45859 [0,1,0,1,0,0|1,0,0]=3 1291 B8R1.4 N[C@H]1CCC[C@@H](N)C1 P48039 [0,1,0,1,0,0|1,0,0]=3 1292 B8R1.4 N[C@H]1CCC[C@@H](O)C1 K10840 [0,1,0,1,0,0|0,0,0]=2 1293 B8R1.4 N[C@H]1CCC[C@@H](O)C1 P44061 [0,1,0,1,0,0|0,0,0]=2 1294 B8R1.4 N[C@H]1CCC[C@@H](O)C1 P45304 [0,1,0,1,0,0|0,0,0]=2 1295 B8R1.4 N[C@H]1CCC[C@H](F)C1 P46535 [0,1,0,1,0,0|1,0,0]=3 1296 B8R1.4 N[C@H]1CCC[C@H](N)C1 L18352 [0,1,0,1,0,0|1,0,0]=3 1297 B8R1.4 N[C@H]1CCC[C@H](O)C1 O33050 [0,1,0,1,0,0|0,0,0]=2 1298 B8R1.4 N[C@H]1CCC[C@H](O)C1 P45649 [0,1,0,1,0,0|0,0,0]=2 1299 B8R1.4 N[C@H]1COC[C@@H](O)C1 Q54628 [0,1,0,1,0,0|1,0,0]=3 1300 B8R1.4 N[C@H]1COC[C@H](O)C1 Q54627 [0,1,0,1,0,0|1,0,0]=3 1301 B8R1.4 O=C1CCCC(Br)C1 P45384 [0,1,0,1,0,0|0,0,2]=4 1302 B8R1.4 O=C1CCCC(F)C1 P43987 [0,1,0,1,0,0|0,0,2]=4 1303 B8R1.4 O=C1CCCC(O)C1 L18346 [0,1,0,1,0,0|0,0,1]=3 1304 B8R1.4 O=C1CCC[C@H](O)C1 P47405 [0,1,0,1,0,0|0,0,1]=3 1305 B8R1.4 O=C1COCC(O)C1 Q54616 [0,1,0,1,0,0|1,0,1]=4 1306 B8R1.4 O=S1CCCC(Br)C1 Q57991 [0,1,0,1,0,0|1,0,1]=4 1307 B8R1.4 OC1COCC(F)C1 Q54619 [0,1,0,1,0,0|1,0,0]=3 1308 B8R1.4 OC1COCC(O)C1 Q54618 [0,1,0,1,0,0|1,0,0]=3 1309 B8R1.4 O[C@@H]1CNC[C@H](O)C1 Q61083 [0,1,0,1,0,0|1,0,0]=3 1310 B8R1.4 O[C@H]1CNC[C@H](O)C1 Q61084 [0,1,0,1,0,0|1,0,0]=3 1311 B8R1.6 C(=O)CC1CC(F)C1 P46567 [0,1,0,1,0,0|0,0,2]=4 1312 B8R1.6 CC1CN(CCO)C1 P47859 [0,1,0,1,0,0|1,0,0]=3 1313 B8R1.6 CCCC1CC(=O)C1 P45457 [0,1,0,1,0,0|0,0,2]=4 1314 B8R1.6 CCCN1CC(O)C1 P48468 [0,1,0,1,0,0|1,0,0]=3 1315 B8R1.6 CCCN1CC(O)C1 P48737 [0,1,0,1,0,0|1,0,0]=3 1316 B8R1.6 CCOC1CC(N)C1 L18168 [0,1,0,1,0,0|2,0,0]=4 1317 B8R1.6 CCO[C@H]1C[C@@H](N)C1 L18169 [0,1,0,1,0,0|2,0,0]=4 1318 B8R1.6 CCO[C@H]1C[C@@H](O)C1 P45783 [0,1,0,1,0,0|1,0,0]=3 1319 B8R1.6 CCO[C@H]1C[C@H](N)C1 P43887 [0,1,0,1,0,0|2,0,0]=4 1320 B8R1.6 CCO[C@H]1C[C@H](N)C1 P46453 [0,1,0,1,0,0|2,0,0]=4 1321 B8R1.6 CCO[C@H]1C[C@H](O)C1 P45429 [0,1,0,1,0,0|1,0,0]=3 1322 B8R1.6 CN1CC(CCBr)C1 P47053 [0,1,0,1,0,0|2,0,0]=4 1323 B8R1.6 CN1CC(CCN)C1 L21451 [0,1,0,1,0,0|2,0,0]=4 1324 B8R1.6 CN1CC(CCO)C1 C-3301 [0,1,0,1,0,0|1,0,0]=3 1325 B8R1.6 CNCC1CC(O)C1 P48824 [0,1,0,1,0,0|1,0,0]=3 1326 B8R1.6 COCC1CC(N)C1 O33565 [0,1,0,1,0,0|2,0,0]=4 1327 B8R1.6 COC[C@H]1C[C@@H](N)C1 L14793 [0,1,0,1,0,0|2,0,0]=4 1328 B8R1.6 COC[C@H]1C[C@@H](N)C1 P49871 [0,1,0,1,0,0|2,0,0]=4 1329 B8R1.6 COC[C@H]1C[C@H](N)C1 P46330 [0,1,0,1,0,0|2,0,0]=4 1330 B8R1.6 N#CCC1CC(F)C1 P47241 [0,1,0,1,0,0|1,0,1]=4 1331 B8R1.6 N#CCC1CC(O)C1 P47758 [0,1,0,1,0,0|1,0,1]=4 1332 B8R1.6 N#CC[C@H]1C[C@@H](F)C1 P46065 [0,1,0,1,0,0|1,0,1]=4 1333 B8R1.6 N#CC[C@H]1C[C@@H](O)C1 P46320 [0,1,0,1,0,0|1,0,1]=4 1334 B8R1.6 N#CC[C@H]1C[C@H](F)C1 P46020 [0,1,0,1,0,0|1,0,1]=4 1335 B8R1.6 N#CC[C@H]1C[C@H](O)C1 P46317 [0,1,0,1,0,0|1,0,1]=4 1336 B8R1.6 NC1CN(CCF)C1 P47957 [0,1,0,1,0,0|2,0,0]=4 1337 B8R1.6 NC1CN(CCO)C1 L14398 [0,1,0,1,0,0|1,0,0]=3 1338 B8R1.6 NCCC1CC(F)C1 L14517 [0,1,0,1,0,0|1,0,0]=3 1339 B8R1.6 NCCN1CC(F)C1 P46414 [0,1,0,1,0,0|2,0,0]=4 1340 B8R1.6 NCCN1CC(O)C1 P49007 [0,1,0,1,0,0|2,0,0]=4 1341 B8R1.6 OCCN1CC(F)C1 P47698 [0,1,0,1,0,0|1,0,0]=3 1342 B8R1.7 CC(=O)C1CCCN1 P37169 [0,1,0,1,0,0|1,0,1]=4 1343 B8R1.7 CC(=O)C1CCCN1 Q61985 [0,1,0,1,0,0|1,0,1]=4 1344 B8R1.7 CC(=O)[C@@H]1CCCN1 Q61986 [0,1,0,1,0,0|1,0,1]=4 1345 B8R1.7 CC(=O)[C@@H]1CCCN1 Q62844 [0,1,0,1,0,0|1,0,1]=4 1346 B8R1.7 CC(=O)[C@H]1CCCN1 Q62845 [0,1,0,1,0,0|1,0,1]=4 1347 B8R1.7 CC(C)C1CCNC1 O33444 [0,1,0,1,0,0|2,0,0]=4 1348 B8R1.7 CC(C)C1CCNC1 Q61705 [0,1,0,1,0,0|2,0,0]=4 1349 B8R1.7 CC(C)[C@@H]1CCCN1 L22352 [0,1,0,1,0,0|1,0,0]=3 1350 B8R1.7 CC(C)[C@@H]1CCNC1 O33128 [0,1,0,1,0,0|2,0,0]=4 1351 B8R1.7 CC(C)[C@@H]1CCNC1 Q61637 [0,1,0,1,0,0|2,0,0]=4 1352 B8R1.7 CC(C)[C@H]1CCCN1 Q55562 [0,1,0,1,0,0|1,0,0]=3 1353 B8R1.7 CC(C)[C@H]1CCNC1 L13956 [0,1,0,1,0,0|2,0,0]=4 1354 B8R1.7 CC(C)[C@H]1CCNC1 Q61626 [0,1,0,1,0,0|2,0,0]=4 1355 B8R1.7 CC(N)C1CCCC1 O30449 [0,1,0,1,0,0|1,0,0]=3 1356 B8R1.7 CC(N)C1CCCC1 O33618 [0,1,0,1,0,0|1,0,0]=3 1357 B8R1.7 CC(O)C1CCNC1 P41560 [0,1,0,1,0,0|1,0,0]=3 1358 B8R1.7 CC(O)C1CCNC1 Q59351 [0,1,0,1,0,0|1,0,0]=3 1359 B8R1.7 C[C@H](N)C1CCCC1 Q59148 [0,1,0,1,0,0|1,0,0]=3 1360 B8R1.7 C[C@H](O)C1CCCC1 Q59154 [0,1,0,1,0,0|0,0,0]=2 1361 B8R1.7 FC(F)C1CCCN1 L13243 [0,1,0,1,0,0|2,0,0]=4 1362 B8R1.7 FC(F)C1CCNC1 L22012 [0,1,0,1,0,0|2,0,0]=4 1363 B8R1.7 FC(F)C1CCNC1 Q52118 [0,1,0,1,0,0|2,0,0]=4 1364 B8R1.7 FC(F)[C@@H]1CCCN1 L13410 [0,1,0,1,0,0|2,0,0]=4 1365 B8R1.7 FC(F)[C@@H]1CCCN1 Q59180 [0,1,0,1,0,0|2,0,0]=4 1366 B8R1.7 FC(F)[C@@H]1CCNC1 Q52281 [0,1,0,1,0,0|2,0,0]=4 1367 B8R1.7 FC(F)[C@H]1CCCN1 Q52280 [0,1,0,1,0,0|2,0,0]=4 1368 B8R1.7 FC(F)[C@H]1CCNC1 Q52282 [0,1,0,1,0,0|2,0,0]=4 1369 B8R1.7 NC(=O)C1CCCC1 P38833 [0,1,0,1,0,0|0,0,2]=4 1370 B8R1.7 O=C(O)C1CCNC1 G-5249 [0,1,0,1,0,0|1,0,1]=4 1371 B8R1.7 O=C(O)C1CCOC1 C-3386 [0,1,0,1,0,0|1,0,1]=4 1372 B8R1.7 O=C(O)[C@@H]1CCCN1 L13796 [0,1,0,1,0,0|1,0,1]=4 1373 B8R1.7 O=C(O)[C@@H]1CCNC1 L18435 [0,1,0,1,0,0|1,0,1]=4 1374 B8R1.7 O=C(O)[C@@H]1CCNC1 Q51834 [0,1,0,1,0,0|1,0,1]=4 1375 B8R1.7 O=C(O)[C@@H]1CCOC1 C-2786 [0,1,0,1,0,0|1,0,1]=4 1376 B8R1.7 O=C(O)[C@H]1CCNC1 G-5250 [0,1,0,1,0,0|1,0,1]=4 1377 B8R1.7 O=C(O)[C@H]1CCNC1 P45277 [0,1,0,1,0,0|1,0,1]=4 1378 B8R1.7 O=C(O)[C@H]1CCOC1 C-2785 [0,1,0,1,0,0|1,0,1]=4 1379 B8R1.19 CC1(C)CCCC1=O L21296 [0,1,0,1,0,0|0,0,2]=4 1380 B8R1.19 CC1(C)CCCC1N Q62001 [0,1,0,1,0,0|1,0,0]=3 1381 B8R1.19 CC1(C)CCCC1O L20761 [0,1,0,1,0,0|0,0,0]=2 1382 B8R1.19 CC1(C)CCC[C@@H]1N Q63826 [0,1,0,1,0,0|1,0,0]=3 1383 B8R1.19 CC1(C)CCC[C@@H]1O Q63828 [0,1,0,1,0,0|0,0,0]=2 1384 B8R1.19 CC1(C)CCC[C@H]1N Q63827 [0,1,0,1,0,0|1,0,0]=3 1385 B8R1.19 CC1(C)CCC[C@H]1O Q63829 [0,1,0,1,0,0|0,0,0]=2 1386 B8R1.19 CC1(C)CNC[C@H]1O Q61634 [0,1,0,1,0,0|1,0,0]=3 1387 B8R1.19 CC1(C)NCCC1O Q64208 [0,1,0,1,0,0|1,0,0]=3 1388 B8R1.19 CC1(C)NCCC1O Q64209 [0,1,0,1,0,0|1,0,0]=3 1389 B8R1.19 CC1(F)CCCC1N Q54478 [0,1,0,1,0,0|1,0,0]=3 1390 B8R1.19 CC1CNCC1(F)F L14473 [0,1,0,1,0,0|2,0,0]=4 1391 B8R1.19 CC1CNCC1(F)F Q61798 [0,1,0,1,0,0|2,0,0]=4 1392 B8R1.19 NC1CCCC1(F)F Q57432 [0,1,0,1,0,0|2,0,0]=4 1393 B8R1.19 NC1CCCC1(F)F Q57433 [0,1,0,1,0,0|2,0,0]=4 1394 B8R1.19 OC1CNCC1(F)F L14577 [0,1,0,1,0,0|2,0,0]=4 1395 B8R1.19 O[C@@H]1CNCC1(F)F Q52826 [0,1,0,1,0,0|2,0,0]=4 1396 B8R1.20 CC1CC1CC(=O)O O29360 [0,1,0,1,0,0|0,0,1]=3 1397 B8R1.27 CNCC1CC1(C)C P42339 [0,1,0,1,0,0|2,0,0]=4 1398 B8R1.27 OCCC1CC1(F)F Q55581 [0,1,0,1,0,0|1,0,0]=3 1399 B8R1.31 CC(=O)[C@@H]1CC[C@H]1C P50610 [0,1,0,1,0,0|0,0,2]=4 1400 B8R1.31 CC(=O)[C@H]1CC[C@H]1C P45662 [0,1,0,1,0,0|0,0,2]=4 1401 B8R1.31 CC(C)C1OCC1N P50149 [0,1,0,1,0,0|2,0,0]=4 1402 B8R1.31 CC(O)C1CCC1F P45994 [0,1,0,1,0,0|1,0,0]=3 1403 B8R1.31 CC1CCC1C(=O)O P45629 [0,1,0,1,0,0|0,0,1]=3 1404 B8R1.31 CC1NCC1C(=O)O L22133 [0,1,0,1,0,0|1,0,1]=4 1405 B8R1.31 CN1CCC1C(=O)O P49637 [0,1,0,1,0,0|1,0,1]=4 1406 B8R1.31 CN1CC[C@@H]1C(=O)O H-8820 [0,1,0,1,0,0|1,0,1]=4 1407 B8R1.31 CN1CC[C@H]1C(=O)O H-8821 [0,1,0,1,0,0|1,0,1]=4 1408 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O L14485 [0,1,0,1,0,0|1,0,1]=4 1409 B8R1.31 C[C@@H]1NC[C@H]1C(=O)O P50093 [0,1,0,1,0,0|1,0,1]=4 1410 B8R1.31 C[C@H]1NC[C@@H]1C(=O)O K13449 [0,1,0,1,0,0|1,0,1]=4 1411 B8R1.31 NC1CCC1C(=O)O P47809 [0,1,0,1,0,0|1,0,1]=4 1412 B8R1.31 N[C@@H]1CC[C@@H]1C(=O)O P45363 [0,1,0,1,0,0|1,0,1]=4 1413 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O L13901 [0,1,0,1,0,0|1,0,1]=4 1414 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O P44744 [0,1,0,1,0,0|1,0,1]=4 1415 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O P45102 [0,1,0,1,0,0|1,0,1]=4 1416 B8R1.31 N[C@H]1CC[C@H]1C(=O)O L21391 [0,1,0,1,0,0|1,0,1]=4 1417 B8R1.31 N[C@H]1CC[C@H]1C(=O)O P45103 [0,1,0,1,0,0|1,0,1]=4 1418 B8R1.31 N[C@H]1CC[C@H]1C(=O)O Q53487 [0,1,0,1,0,0|1,0,1]=4 1419 B8R1.31 O=C(O)C1CCC1F P47126 [0,1,0,1,0,0|1,0,1]=4 1420 B8R1.31 O=C(O)C1CCC1O P49194 [0,1,0,1,0,0|1,0,1]=4 1421 B8R1.31 O=C(O)[C@H]1CC[C@@H]1O P48368 [0,1,0,1,0,0|1,0,1]=4 1422 B8R1.34 CC(=O)CC1CCC1 P48892 [0,1,0,1,0,0|0,0,2]=4 1423 B8R1.34 CC(C)CC1CNC1 P44917 [0,1,0,1,0,0|2,0,0]=4 1424 B8R1.34 CC(C)NC1CCC1 P48786 [0,1,0,1,0,0|2,0,0]=4 1425 B8R1.34 CC(C)NC1CCC1 P49134 [0,1,0,1,0,0|2,0,0]=4 1426 B8R1.34 CC(O)CN1CCC1 P47869 [0,1,0,1,0,0|1,0,0]=3 1427 B8R1.34 CN(C)C[C@@H]1CCN1 P46633 [0,1,0,1,0,0|2,0,0]=4 1428 B8R1.34 CN(C)C[C@H]1CCN1 P46672 [0,1,0,1,0,0|2,0,0]=4 1429 B8R1.34 FC(F)CC1CNC1 P46689 [0,1,0,1,0,0|2,0,0]=4 1430 B8R1.34 FC(F)CC1CNC1 P46695 [0,1,0,1,0,0|2,0,0]=4 1431 B8R1.34 N=C(N)CC1CCC1 P48135 [0,1,0,1,0,0|1,0,1]=4 1432 B8R1.34 O=C(O)CC1CCC1 P44572 [0,1,0,1,0,0|0,0,1]=3 1433 B8R1.34 O=C(O)CC1CCN1 P44826 [0,1,0,1,0,0|1,0,1]=4 1434 B8R1.34 O=C(O)CC1CCO1 F-4762 [0,1,0,1,0,0|1,0,1]=4 1435 B8R1.34 O=C(O)CC1CNC1 G-7532 [0,1,0,1,0,0|1,0,1]=4 1436 B8R1.34 O=C(O)CC1CNC1 M22650 [0,1,0,1,0,0|1,0,1]=4 1437 B8R1.34 O=C(O)CC1CNC1 P46867 [0,1,0,1,0,0|1,0,1]=4 1438 B8R1.34 O=C(O)CC1COC1 F-4181 [0,1,0,1,0,0|1,0,1]=4 1439 B8R1.34 O=C(O)CN1CCC1 H-8105 [0,1,0,1,0,0|1,0,1]=4 1440 B8R1.34 O=C(O)C[C@@H]1CCO1 Q56144 [0,1,0,1,0,0|1,0,1]=4 1441 B8R1.34 O=C(O)C[C@H]1CCO1 Q56143 [0,1,0,1,0,0|1,0,1]=4 1442 B8R1.35 O=C(O)CCC1CC1 P37405 [0,1,0,1,0,0|0,0,1]=3 1443 B8R1.43 NCC1CC1C(=O)O Q52566 [0,1,0,1,0,0|1,0,1]=4 1444 B8R1.48 CC1(C)CCC1CO P45354 [0,1,0,1,0,0|0,0,0]=2 1445 B8R1.48 CC1(C)COC1CN L22314 [0,1,0,1,0,0|2,0,0]=4 1446 B8R1.48 CC1(C)COC1CO Q62789 [0,1,0,1,0,0|1,0,0]=3 1447 B8R1.48 CC1(C)OCC1CO Q52794 [0,1,0,1,0,0|1,0,0]=3 1448 B8R1.48 NCC1CCC1(F)F L21589 [0,1,0,1,0,0|2,0,0]=4 1449 B8R1.48 NCC1CCC1(F)F P47835 [0,1,0,1,0,0|2,0,0]=4 1450 B8R1.48 OCC1CCC1(F)F G-6885 [0,1,0,1,0,0|1,0,0]=3 1451 B8R1.48 OCC1NCC1(F)F P43793 [0,1,0,1,0,0|2,0,0]=4 1452 B8R1.72 CC1(C)CCCCN1 Q52541 [0,1,0,1,0,0|1,0,0]=3 1453 B8R1.72 CC1(C)CCNCC1 C-3355 [0,1,0,1,0,0|2,0,0]=4 1454 B8R1.72 CC1(C)CNCCN1 D-2719 [0,1,0,1,0,0|2,0,0]=4 1455 B8R1.72 CC1(C)CNCCO1 H-8786 [0,1,0,1,0,0|1,0,0]=3 1456 B8R1.72 CC1(C)CNCCO1 L14122 [0,1,0,1,0,0|1,0,0]=3 1457 B8R1.72 CC1(C)COCCN1 H-8787 [0,1,0,1,0,0|2,0,0]=4 1458 B8R1.72 CC1(C)COCCN1 O28306 [0,1,0,1,0,0|2,0,0]=4 1459 B8R1.72 CC1(F)CCCNC1 Q54394 [0,1,0,1,0,0|2,0,0]=4 1460 B8R1.72 CC1(F)CCNCC1 Q54423 [0,1,0,1,0,0|2,0,0]=4 1461 B8R1.72 CC1(N)CCCOC1 H-8277 [0,1,0,1,0,0|2,0,0]=4 1462 B8R1.72 CC1(N)CCCOC1 H-8277-1 [0,1,0,1,0,0|2,0,0]=4 1463 B8R1.72 CC1(N)CCOCC1 G-6788 [0,1,0,1,0,0|2,0,0]=4 1464 B8R1.72 CC1(N)CCOCC1 Q51895 [0,1,0,1,0,0|2,0,0]=4 1465 B8R1.72 CC1(N)CCSCC1 Q61458 [0,1,0,1,0,0|2,0,0]=4 1466 B8R1.72 CC1(O)CCCNC1 A-831 [0,1,0,1,0,0|1,0,0]=3 1467 B8R1.72 CC1(O)CCCNC1 M22629 [0,1,0,1,0,0|1,0,0]=3 1468 B8R1.72 CC1(O)CCCOC1 Q65022 [0,1,0,1,0,0|1,0,0]=3 1469 B8R1.72 CC1(O)CCNCC1 A-829 [0,1,0,1,0,0|1,0,0]=3 1470 B8R1.72 CC1(O)CCOCC1 P36263 [0,1,0,1,0,0|1,0,0]=3 1471 B8R1.72 C[C@@]1(O)CCCNC1 Q65190 [0,1,0,1,0,0|1,0,0]=3 1472 B8R1.72 C[C@]1(O)CCCNC1 P44137 [0,1,0,1,0,0|1,0,0]=3 1473 B8R1.72 FC1(F)CCCNC1 C-2253 [0,1,0,1,0,0|2,0,0]=4 1474 B8R1.72 FC1(F)CCNCC1 C-3220 [0,1,0,1,0,0|2,0,0]=4 1475 B8R1.18 CN1C[C@H](N)[C@H](O)C1 L22266 [0,1,0,1,0,0|2,0,0]=4 1476 B8R1.37 CCCC(=O)C1CC1 P45338 [0,1,0,1,0,0|1,0,1]=4 1477 B8R1.66 C(=O)CC1(C)CCC1 P46847 [0,1,0,1,0,0|0,0,2]=4 1478 B8R1.66 CC1(CCN)COC1 M23052 [0,1,0,1,0,0|2,0,0]=4 1479 B8R1.66 CCCC1(O)CNC1 H-8422 [0,1,0,1,0,0|2,0,0]=4 1480 B8R1.66 COCC1(N)CCC1 P49294 [0,1,0,1,0,0|2,0,0]=4 1481 B8R1.66 COCC1(N)CCC1 P49768 [0,1,0,1,0,0|2,0,0]=4 1482 B8R1.66 N#CCC1(N)CCC1 P48926 [0,1,0,1,0,0|1,0,1]=4 1483 B8R1.66 N#CCC1(O)CCC1 P48911 [0,1,0,1,0,0|1,0,1]=4 1484 B8R1.66 NC1(CCO)CCC1 L21423 [0,1,0,1,0,0|0,0,0]=2 1485 B8R1.66 NC1(CCO)CCC1 P48533 [0,1,0,1,0,0|0,0,0]=2 1486 B8R1.66 NC1(CCO)COC1 G-6613 [0,1,0,1,0,0|1,0,0]=3 1487 B8R1.66 NC1(CCO)COC1 H-8069 [0,1,0,1,0,0|1,0,0]=3 1488 B8R1.66 NCCC1(F)CCC1 P47050 [0,1,0,1,0,0|1,0,0]=3 1489 B8R1.66 NCCC1(O)CCC1 P43162 [0,1,0,1,0,0|1,0,0]=3 1490 B8R1.66 NCCC1(O)CCC1 P48910 [0,1,0,1,0,0|1,0,0]=3 1491 B8R1.66 NCCC1(O)CNC1 P48129 [0,1,0,1,0,0|2,0,0]=4 1492 B8R1.66 NCCC1(O)CNC1 P48144 [0,1,0,1,0,0|2,0,0]=4 1493 B8R1.66 NCCC1(O)COC1 Q55862 [0,1,0,1,0,0|2,0,0]=4 1494 B8R1.66 OCCC1(F)COC1 Q56661 [0,1,0,1,0,0|1,0,0]=3 1495 B8R1.66 OCCC1(O)CCC1 P45126 [0,1,0,1,0,0|0,0,0]=2 1496 B8R1.66 OCCC1(O)COC1 P47344 [0,1,0,1,0,0|1,0,0]=3 1497 B8R2.11 FC1C2CNCC12 Q54401 [0,0,0,2,0,0|2,0,0]=4 1498 B8R2.11 NC1C2CCOC12 Q64151 [0,0,0,2,0,0|1,0,0]=3 1499 B8R2.11 NC1C2CNCC12 L20026 [0,0,0,2,0,0|2,0,0]=4 1500 B8R2.11 NC1C2COCC12 F-4873 [0,0,0,2,0,0|2,0,0]=4 1501 B8R2.11 NC1C2COCC12 Q59465 [0,0,0,2,0,0|2,0,0]=4 1502 B8R2.11 OC1C2CNCC12 G-7140 [0,0,0,2,0,0|1,0,0]=3 1503 B8R2.11 OC1C2CNCC12 Q64221 [0,0,0,2,0,0|1,0,0]=3 1504 B8R2.11 [C@@H]12CNC[C@@H]1[C@H]2O Q56282 [0,0,0,2,0,0|1,0,0]=3 1505 B8R2.11 [C@H]12COC[C@H]1[C@@H]2N L14585 [0,0,0,2,0,0|2,0,0]=4 1506 B8R2.11 [C@H]12COC[C@H]1[C@@H]2N Q52150 [0,0,0,2,0,0|2,0,0]=4 1507 B8R2.22 C1CC2CNC2C1 Q52162 [0,0,0,2,0,0|1,0,0]=3 1508 B8R2.22 C1CC2CNCC12 G-7390 [0,0,0,2,0,0|1,0,0]=3 1509 B8R2.22 C1CC2CNCC12 Q56567 [0,0,0,2,0,0|1,0,0]=3 1510 B8R2.22 C1NC2COCC12 Q56927 [0,0,0,2,0,0|1,0,0]=3 1511 B8R2.34 C1CC2CC1CN2 L21596 [0,0,0,2,0,0|1,0,0]=3 1512 B8R2.34 C1CC2CC1CN2 P45371 [0,0,0,2,0,0|1,0,0]=3 1513 B8R2.34 C1CC2CCC1N2 C-3483 [0,0,0,2,0,0|1,0,0]=3 1514 B8R2.34 C1CC2CCC1N2 G-7486 [0,0,0,2,0,0|1,0,0]=3 1515 B8R2.34 C1C[C@@H]2C[C@H]1CN2 Q53432 [0,0,0,2,0,0|1,0,0]=3 1516 B8R2.34 C1C[C@@H]2C[C@H]1CN2 Q53433 [0,0,0,2,0,0|1,0,0]=3 1517 B8R2.34 C1C[C@H]2CN[C@@H]1C2 Q53434 [0,0,0,2,0,0|1,0,0]=3 1518 B8R2.34 C1C[C@H]2CN[C@@H]1C2 Q53435 [0,0,0,2,0,0|1,0,0]=3 1519 B8R2.34 C1N[C@@H]2CN[C@H]1C2 P45510 [0,0,0,2,0,0|2,0,0]=4 1520 B8R2.34 C1N[C@@H]2CN[C@H]1C2 P48802 [0,0,0,2,0,0|2,0,0]=4 1521 B8R2.34 C1N[C@@H]2CN[C@H]1C2 P48808 [0,0,0,2,0,0|2,0,0]=4 1522 B8R2.34 C1OC2CNC1C2 F-4204 [0,0,0,2,0,0|1,0,0]=3 1523 B8R2.34 C1OC2CNC1C2 I-9390 [0,0,0,2,0,0|1,0,0]=3 1524 B8R2.34 C1OC2CNC1C2 P44410 [0,0,0,2,0,0|1,0,0]=3 1525 B8R2.34 C1O[C@@H]2CN[C@H]1C2 L21617 [0,0,0,2,0,0|1,0,0]=3 1526 B8R2.34 C1O[C@H]2CN[C@@H]1C2 I-9936 [0,0,0,2,0,0|1,0,0]=3 1527 B8R2.34 C1SC2CNC1C2 L20964 [0,0,0,2,0,0|1,1,0]=4 1528 B8R2.34 C1S[C@@H]2CN[C@H]1C2 P49104 [0,0,0,2,0,0|1,1,0]=4 1529 B8R2.34 C1S[C@@H]2CN[C@H]1C2 P49118 [0,0,0,2,0,0|1,1,0]=4 1530 B8R2.34 C1S[C@H]2CN[C@@H]1C2 P46737 [0,0,0,2,0,0|1,1,0]=4 1531 B8R2.34 [C@@H]12CO[C@@H](CN1)C2 F-4070 [0,0,0,2,0,0|1,0,0]=3 1532 B8R2.34 [C@@H]12CO[C@@H](CN1)C2 I-9586 [0,0,0,2,0,0|1,0,0]=3 1533 B8R2.34 [C@H]12CO[C@H](CN1)C2 G-6560 [0,0,0,2,0,0|1,0,0]=3 1534 B8R2.34 [C@H]12CO[C@H](CN1)C2 G-6560-1 [0,0,0,2,0,0|1,0,0]=3 1535 B8R2.55 C1CC2(CC2)CN1 G-6196 [0,0,0,2,0,0|2,0,0]=4 1536 B8R2.55 C1CC2(CC2)CN1 Q56343 [0,0,0,2,0,0|2,0,0]=4 1537 B8R2.55 C1CC2(CO1)CO2 Q61784 [0,0,0,2,0,0|1,0,0]=3 1538 B8R2.55 C1CCC2(C1)CO2 Q61872 [0,0,0,2,0,0|0,0,0]=2 1539 B8R2.55 C1CNC2(C1)CC2 G-6212 [0,0,0,2,0,0|1,0,0]=3 1540 B8R2.2 FC12CNCC1C2 Q63903 [0,0,0,2,0,0|2,0,0]=4 1541 B8R2.2 NC12COCC1C2 Q56929 [0,0,0,2,0,0|2,0,0]=4 1542 B8R2.2 OC12CNCC1C2 Q63904 [0,0,0,2,0,0|1,0,0]=3 1543 B8R2.2 OC12CNCC1C2 Q63905 [0,0,0,2,0,0|1,0,0]=3 1544 B8R2.18 NC1CC2CC2C1 F-4590 [0,0,0,2,0,0|1,0,0]=3 1545 B8R2.18 NC1CC2CC2C1 L22469 [0,0,0,2,0,0|1,0,0]=3 1546 B8R2.18 N[C@H]1C[C@@H]2C[C@@H]2C1 Q55517 [0,0,0,2,0,0|1,0,0]=3 1547 B8R2.18 OC1CC2CC2C1 P44932 [0,0,0,2,0,0|0,0,0]=2 1548 B8R2.18 O[C@H]1C[C@@H]2C[C@@H]2C1 Q55704 [0,0,0,2,0,0|0,0,0]=2 1549 B8R2.23 C1NCC2CC1C2 G-6134 [0,0,0,2,0,0|2,0,0]=4 1550 B8R2.23 C1NCC2CC1C2 P43854 [0,0,0,2,0,0|2,0,0]=4 1551 B8R2.23 C1NCC2CC1N2 P45630 [0,0,0,2,0,0|2,0,0]=4 1552 B8R2.23 C1NCC2CC1O2 G-6636 [0,0,0,2,0,0|1,0,0]=3 1553 B8R2.23 C1NCC2CC1O2 L13316 [0,0,0,2,0,0|1,0,0]=3 1554 B8R2.23 C1OCC2CC1N2 L13890 [0,0,0,2,0,0|2,0,0]=4 1555 B8R2.23 C1OCC2CC1N2 P45822 [0,0,0,2,0,0|2,0,0]=4 1556 B8R2.23 C1SCC2CC1N2 P47949 [0,0,0,2,0,0|2,0,0]=4 1557 B8R2.25 C1CC2OC2CO1 L14578 [0,0,0,2,0,0|1,0,0]=3 1558 B8R2.25 C1CCC2NC2C1 Q58068 [0,0,0,2,0,0|1,0,0]=3 1559 B8R2.25 C1CNC2CC2C1 Q57310 [0,0,0,2,0,0|1,0,0]=3 1560 B8R2.25 C1CNC2CC2N1 O33195 [0,0,0,2,0,0|2,0,0]=4 1561 B8R2.25 C1CN[C@H]2C[C@H]2C1 Q58108 [0,0,0,2,0,0|1,0,0]=3 1562 B8R2.25 C1COC2CC2N1 Q57311 [0,0,0,2,0,0|1,0,0]=3 1563 B8R2.25 C1COC2CC2N1 Q57312 [0,0,0,2,0,0|1,0,0]=3 1564 B8R2.38 NC1CCC2CC12 Q56246 [0,0,0,2,0,0|1,0,0]=3 1565 B8R2.38 NC1CCC2CC12 Q56247 [0,0,0,2,0,0|1,0,0]=3 1566 B8R2.38 O=C1CC[C@@H]2C[C@H]12 Q52888 [0,0,0,2,0,0|0,0,2]=4 1567 B8R2.38 O=C1CC[C@H]2C[C@@H]12 Q52887 [0,0,0,2,0,0|0,0,2]=4 1568 B8R2.4 O=C1CC2CC1C2 P45525 [0,0,0,2,0,0|0,0,2]=4 1569 B8R2.45 CC1OC12CCC2 Q56043 [0,0,0,2,0,0|2,0,0]=4 1570 B8R2.1 C1CC(C2CC2)N1 F-4827 [0,0,0,2,0,0|1,0,0]=3 1571 B8R2.42 C1CC2(C1)CCN2 G-6263 [0,0,0,2,0,0|1,0,0]=3 1572 B8R2.42 C1CC2(C1)CNC2 10163 [0,0,0,2,0,0|2,0,0]=4 1573 B8R2.42 C1CC2(C1)CNC2 C-2769 [0,0,0,2,0,0|2,0,0]=4 1574 B8R2.42 C1CC2(C1)CNC2 L20970 [0,0,0,2,0,0|2,0,0]=4 1575 B8R2.42 C1CC2(C1)CNC2 Q51848 [0,0,0,2,0,0|2,0,0]=4 1576 B8R2.42 C1CC2(CNC2)O1 L14355 [0,0,0,2,0,0|1,0,0]=3 1577 B8R2.42 C1CC2(CNC2)O1 L22092 [0,0,0,2,0,0|1,0,0]=3 1578 B8R2.42 C1CC2(CNC2)O1 Q56370 [0,0,0,2,0,0|1,0,0]=3 1579 B8R2.42 C1CC2(CNC2)O1 Q56371 [0,0,0,2,0,0|1,0,0]=3 1580 B8R2.42 C1CC2(CNC2)O1 Q56372 [0,0,0,2,0,0|1,0,0]=3 1581 B8R2.42 C1CC2(CNC2)S1 P48240 [0,0,0,2,0,0|1,1,0]=4 1582 B8R2.42 C1CC2(CNC2)S1 Q53949 [0,0,0,2,0,0|1,1,0]=4 1583 B8R2.42 C1CC2(COC2)N1 L22016 [0,0,0,2,0,0|2,0,0]=4 1584 B8R2.42 C1CC2(COC2)N1 O29331 [0,0,0,2,0,0|2,0,0]=4 1585 B8R2.42 C1CC2(COC2)N1 Q56377 [0,0,0,2,0,0|2,0,0]=4 1586 B8R2.42 C1CC2(COC2)N1 Q56378 [0,0,0,2,0,0|2,0,0]=4 1587 B8R2.19 NC1CCC12CC2 Q56206 [0,0,0,2,0,0|1,0,0]=3 1588 B8R2.19 NC1CCC12CC2 Q56207 [0,0,0,2,0,0|1,0,0]=3 1589 B8R2.19 O=C1CCC12CC2 L22262 [0,0,0,2,0,0|0,0,2]=4 1590 B8R2.19 OC1CCC12CC2 Q56205 [0,0,0,2,0,0|0,0,0]=2 1591 B8R2.20 NCC1CC12CC2 Q57346 [0,0,0,2,0,0|1,0,0]=3 1592 B8R2.20 O=CC1CC12CC2 Q57295 [0,0,0,2,0,0|0,0,2]=4 1593 B8R2.24 C1CC1NC2CC2 M15458 [0,0,0,2,0,0|2,0,0]=4