0 B7R0.1 C#CCCCCCI Q66056 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.1 C#CCNCCCN P36031 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.1 C#CCOCCOC P38854 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.1 CCCCNCC#N P38905 [0,0,0,0,0,0|2,0,1]=3 4 B7R0.1 CCCCOCCN P36925 [0,0,0,0,0,0|2,0,1]=3 5 B7R0.1 COCCOCCN P38878 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.1 NCCCOCCO P34738 [0,0,0,0,0,0|3,0,1]=4 7 B7R0.1 O=CCCCCCCl O30105 [0,0,0,0,0,0|2,0,0]=2 8 B7R0.1 [N-]=[N+]=NCCCCN P41887 [0,0,0,0,0,0|4,0,0]=4 9 B7R0.1 [N-]=[N+]=NCCCCO P37488 [0,0,0,0,0,0|4,0,0]=4 10 B6R0.6 BrCCNCCBr M15186 [1,0,0,0,0,0|3,0,0]=4 11 B6R0.6 C#CCCCCI P39398 [1,0,0,0,0,0|1,0,2]=4 12 B6R0.6 C#CCCCCN O31570 [1,0,0,0,0,0|1,0,2]=4 13 B6R0.6 C#CCCCNC L19187 [1,0,0,0,0,0|1,0,2]=4 14 B6R0.6 CNCCCCN L19491 [1,0,0,0,0,0|2,0,0]=3 15 B6R0.6 CNCCCOC P37437 [1,0,0,0,0,0|2,0,1]=4 16 B6R0.6 COCCCCN O29739 [1,0,0,0,0,0|2,0,0]=3 17 B6R0.6 NCCOCCN P39125 [1,0,0,0,0,0|3,0,0]=4 18 B6R0.6 OCCOCCBr P37296 [1,0,0,0,0,0|3,0,0]=4 19 B6R0.6 OCCOCCI P41754 [1,0,0,0,0,0|3,0,0]=4 20 B8R0.1 C=CCOC(=O)CCC Q69608 [0,1,0,0,0,0|1,0,1]=3 21 B8R0.1 CCCCN(C)CCO Q66068 [0,1,0,0,0,0|2,0,1]=4 22 B8R0.4 C#CCCCCCCI Q66057 [0,1,0,0,0,0|0,0,2]=3 23 B8R0.4 ClCCCOCCCCl M15578 [0,1,0,0,0,0|2,0,1]=4 24 B8R0.4 NCCCCCCCO P40165 [0,1,0,0,0,0|1,0,1]=3 25 B8R0.4 OCCCNCCCO F-4132 [0,1,0,0,0,0|2,0,1]=4 26 B8R0.4 OCCCNCCCO O29405 [0,1,0,0,0,0|2,0,1]=4 27 B8R0.4 OCCCOCCCO P39459 [0,1,0,0,0,0|2,0,1]=4 28 B8R0.4 [N-]=[N+]=NCCCCCN P41116 [0,1,0,0,0,0|3,0,0]=4 29 B8R0.4 [N-]=[N+]=NCCCCCN P41453 [0,1,0,0,0,0|3,0,0]=4 30 B8R0.4 [N-]=[N+]=NCCCCCO P40624 [0,1,0,0,0,0|3,0,0]=4 31 B8R0.7 C#CCCCCC(=O)O P38906 [0,1,0,0,0,0|1,0,2]=4 32 B8R0.7 CCNCCCN(C)C G-7104 [0,1,0,0,0,0|2,0,1]=4 33 B8R0.7 CN(C)CCCCCN P38845 [0,1,0,0,0,0|2,0,1]=4 34 B8R0.7 CNCCCCC(=O)O P35932 [0,1,0,0,0,0|2,0,0]=3 35 B8R0.7 CNCCCNC(C)=O P37409 [0,1,0,0,0,0|2,0,1]=4 36 B8R0.7 NCCCCNC(N)=O L20055 [0,1,0,0,0,0|3,0,0]=4 37 B8R0.7 NCCOCCC(=O)O P41214 [0,1,0,0,0,0|3,0,0]=4 38 B8R1.2 BrCC1=CCCCC1 G-7545 [0,0,0,1,0,0|1,0,2]=4 39 B8R1.2 BrCC1CCCNC1 Q55055 [0,0,0,1,0,0|2,0,1]=4 40 B8R1.2 BrCC1CCCOC1 G-6343 [0,0,0,1,0,0|2,0,1]=4 41 B8R1.2 BrCC1CCNCC1 L21509 [0,0,0,1,0,0|2,0,1]=4 42 B8R1.2 BrCC1CCOCC1 G-5150 [0,0,0,1,0,0|2,0,1]=4 43 B8R1.2 BrCC1CCSCC1 O29933 [0,0,0,1,0,0|2,0,1]=4 44 B8R1.2 BrC[C@@H]1CCCNC1 Q55056 [0,0,0,1,0,0|2,0,1]=4 45 B8R1.2 BrC[C@@H]1CCCOC1 Q62734 [0,0,0,1,0,0|2,0,1]=4 46 B8R1.2 BrC[C@H]1CCCNC1 Q55057 [0,0,0,1,0,0|2,0,1]=4 47 B8R1.2 BrC[C@H]1CCCOC1 Q62735 [0,0,0,1,0,0|2,0,1]=4 48 B8R1.2 C#CC1CCCCN1 O30119 [0,0,0,1,0,0|1,0,2]=4 49 B8R1.2 C#CC1CCCCO1 Q62780 [0,0,0,1,0,0|1,0,2]=4 50 B8R1.2 C#CC1CCCNC1 L13025 [0,0,0,1,0,0|1,0,2]=4 51 B8R1.2 C#CC1CCCNC1 Q56306 [0,0,0,1,0,0|1,0,2]=4 52 B8R1.2 C#CC1CCCOC1 Q56322 [0,0,0,1,0,0|1,0,2]=4 53 B8R1.2 C#CC1CCNCC1 I-9267 [0,0,0,1,0,0|1,0,2]=4 54 B8R1.2 C#CC1CCNCC1 Q56307 [0,0,0,1,0,0|1,0,2]=4 55 B8R1.2 C#CC1CCOCC1 C-3588 [0,0,0,1,0,0|1,0,2]=4 56 B8R1.2 C#CC1CCSCC1 O32975 [0,0,0,1,0,0|1,0,2]=4 57 B8R1.2 C#C[C@@H]1CCCCO1 Q62782 [0,0,0,1,0,0|1,0,2]=4 58 B8R1.2 C#C[C@H]1CCCCO1 Q62781 [0,0,0,1,0,0|1,0,2]=4 59 B8R1.2 C=CC1CCOCC1 Q57821 [0,0,0,1,0,0|1,0,0]=2 60 B8R1.2 CCC1CCNCC1 P41021 [0,0,0,1,0,0|1,0,2]=4 61 B8R1.2 CCC1CNCCO1 B-1069 [0,0,0,1,0,0|2,0,1]=4 62 B8R1.2 CCC1COCCN1 B-1066 [0,0,0,1,0,0|2,0,1]=4 63 B8R1.2 CC[C@@H]1CCCCN1 Q54717 [0,0,0,1,0,0|1,0,1]=3 64 B8R1.2 CC[C@@H]1CCCNC1 Q61422 [0,0,0,1,0,0|1,0,1]=3 65 B8R1.2 CC[C@@H]1CNCCO1 B-1071 [0,0,0,1,0,0|2,0,1]=4 66 B8R1.2 CC[C@@H]1COCCN1 B-1064 [0,0,0,1,0,0|2,0,1]=4 67 B8R1.2 CC[C@H]1CCCNC1 Q61421 [0,0,0,1,0,0|1,0,1]=3 68 B8R1.2 CC[C@H]1CNCCO1 B-1070 [0,0,0,1,0,0|2,0,1]=4 69 B8R1.2 CC[C@H]1COCCN1 B-1065 [0,0,0,1,0,0|2,0,1]=4 70 B8R1.2 CNC1CCCNC1 K10899 [0,0,0,1,0,0|2,0,1]=4 71 B8R1.2 CNC1CCCSC1 Q57932 [0,0,0,1,0,0|2,0,1]=4 72 B8R1.2 CNC1CCCSC1 Q57933 [0,0,0,1,0,0|2,0,1]=4 73 B8R1.2 CNC1CCNCC1 L21525 [0,0,0,1,0,0|2,0,1]=4 74 B8R1.2 CNC1CCOCC1 G-5151 [0,0,0,1,0,0|2,0,1]=4 75 B8R1.2 CN[C@@H]1CCCOC1 Q55431 [0,0,0,1,0,0|2,0,1]=4 76 B8R1.2 CN[C@H]1CCCOC1 Q55432 [0,0,0,1,0,0|2,0,1]=4 77 B8R1.2 COC1CCCNC1 C-3504 [0,0,0,1,0,0|2,0,1]=4 78 B8R1.2 COC1CCCNC1 M22805 [0,0,0,1,0,0|2,0,1]=4 79 B8R1.2 COC1CCNCC1 C-2394 [0,0,0,1,0,0|2,0,1]=4 80 B8R1.2 COC1CCNCC1 C-3203 [0,0,0,1,0,0|2,0,1]=4 81 B8R1.2 CO[C@@H]1CCCNC1 G-7538 [0,0,0,1,0,0|2,0,1]=4 82 B8R1.2 CO[C@@H]1CCCNC1 L13637 [0,0,0,1,0,0|2,0,1]=4 83 B8R1.2 CO[C@H]1CCCNC1 G-5239 [0,0,0,1,0,0|2,0,1]=4 84 B8R1.2 CO[C@H]1CCCNC1 L21633 [0,0,0,1,0,0|2,0,1]=4 85 B8R1.2 CSC1CCCNC1 H-8554 [0,0,0,1,0,0|2,0,1]=4 86 B8R1.2 CSC1CCNCC1 C-2200 [0,0,0,1,0,0|2,0,1]=4 87 B8R1.2 ClCC1CCNCC1 L21584 [0,0,0,1,0,0|2,0,1]=4 88 B8R1.2 FCC1CCCCN1 Q52081 [0,0,0,1,0,0|2,0,1]=4 89 B8R1.2 FCC1CCCNC1 M23801 [0,0,0,1,0,0|2,0,1]=4 90 B8R1.2 FCC1CCNCC1 L13946 [0,0,0,1,0,0|2,0,1]=4 91 B8R1.2 FC[C@@H]1CCCCN1 Q52082 [0,0,0,1,0,0|2,0,1]=4 92 B8R1.2 FC[C@@H]1CCCNC1 Q65004 [0,0,0,1,0,0|2,0,1]=4 93 B8R1.2 FC[C@H]1CCCCN1 Q52083 [0,0,0,1,0,0|2,0,1]=4 94 B8R1.2 FC[C@H]1CCCNC1 Q65002 [0,0,0,1,0,0|2,0,1]=4 95 B8R1.2 ICC1CCOCC1 C-3412 [0,0,0,1,0,0|2,0,1]=4 96 B8R1.2 N#CC1CCCCC1 P45205 [0,0,0,1,0,0|1,0,1]=3 97 B8R1.2 N#CC1CCCCN1 A-125 [0,0,0,1,0,0|2,0,1]=4 98 B8R1.2 N#CC1CCCCS1 Q57985 [0,0,0,1,0,0|2,0,1]=4 99 B8R1.2 N#CC1CCCNC1 A-124 [0,0,0,1,0,0|2,0,1]=4 100 B8R1.2 N#CC1CCCNC1 G-5248 [0,0,0,1,0,0|2,0,1]=4 101 B8R1.2 N#CC1CCCOC1 Q54972 [0,0,0,1,0,0|2,0,1]=4 102 B8R1.2 N#CC1CCNCC1 A-123 [0,0,0,1,0,0|2,0,1]=4 103 B8R1.2 N#CC1CCOCC1 C-3419 [0,0,0,1,0,0|2,0,1]=4 104 B8R1.2 N#CC1CCSCC1 L14051 [0,0,0,1,0,0|2,0,1]=4 105 B8R1.2 N#C[C@@H]1CCCCN1 L18519 [0,0,0,1,0,0|2,0,1]=4 106 B8R1.2 N#C[C@@H]1CCCCN1 O33498 [0,0,0,1,0,0|2,0,1]=4 107 B8R1.2 N#C[C@@H]1CCCCN1 Q52040 [0,0,0,1,0,0|2,0,1]=4 108 B8R1.2 N#C[C@@H]1CCCNC1 L14278 [0,0,0,1,0,0|2,0,1]=4 109 B8R1.2 N#C[C@@H]1CCCNC1 P50463 [0,0,0,1,0,0|2,0,1]=4 110 B8R1.2 N#C[C@@H]1CCCNC1 Q65261 [0,0,0,1,0,0|2,0,1]=4 111 B8R1.2 N#C[C@H]1CCCCN1 O33248 [0,0,0,1,0,0|2,0,1]=4 112 B8R1.2 N#C[C@H]1CCCCN1 Q52041 [0,0,0,1,0,0|2,0,1]=4 113 B8R1.2 N#C[C@H]1CCCCN1 Q52042 [0,0,0,1,0,0|2,0,1]=4 114 B8R1.2 N#C[C@H]1CCCNC1 L14298 [0,0,0,1,0,0|2,0,1]=4 115 B8R1.2 N#C[C@H]1CCCNC1 Q65260 [0,0,0,1,0,0|2,0,1]=4 116 B8R1.2 NCC1=CCCCC1 P38792 [0,0,0,1,0,0|1,0,2]=4 117 B8R1.2 NCC1CC=CCC1 P39320 [0,0,0,1,0,0|1,0,2]=4 118 B8R1.2 NCC1CCC=CO1 Q65014 [0,0,0,1,0,0|2,0,1]=4 119 B8R1.2 NCC1CCCCS1 Q57980 [0,0,0,1,0,0|2,0,1]=4 120 B8R1.2 NCC1CCCOC1 L21850 [0,0,0,1,0,0|2,0,1]=4 121 B8R1.2 NCC1CCCSC1 Q57994 [0,0,0,1,0,0|2,0,1]=4 122 B8R1.2 NCC1CCOCC1 C-3413 [0,0,0,1,0,0|2,0,1]=4 123 B8R1.2 NCC1CCSCC1 I-9299 [0,0,0,1,0,0|2,0,1]=4 124 B8R1.2 NCC1CCSCC1 O30354 [0,0,0,1,0,0|2,0,1]=4 125 B8R1.2 NC[C@@H]1CCCCO1 Q62567 [0,0,0,1,0,0|2,0,1]=4 126 B8R1.2 NC[C@@H]1CCCOC1 L18118 [0,0,0,1,0,0|2,0,1]=4 127 B8R1.2 NC[C@@H]1CCCOC1 Q56432 [0,0,0,1,0,0|2,0,1]=4 128 B8R1.2 NC[C@H]1CCC=CO1 Q65015 [0,0,0,1,0,0|2,0,1]=4 129 B8R1.2 NC[C@H]1CCCCO1 Q62568 [0,0,0,1,0,0|2,0,1]=4 130 B8R1.2 NC[C@H]1CCCOC1 L18117 [0,0,0,1,0,0|2,0,1]=4 131 B8R1.2 NC[C@H]1CCCOC1 Q56431 [0,0,0,1,0,0|2,0,1]=4 132 B8R1.2 NNC1CCCNC1 O31292 [0,0,0,1,0,0|3,0,0]=4 133 B8R1.2 NNC1CCCNC1 O31297 [0,0,0,1,0,0|3,0,0]=4 134 B8R1.2 NNC1CCCOC1 Q52422 [0,0,0,1,0,0|3,0,0]=4 135 B8R1.2 NNC1CCCOC1 Q52423 [0,0,0,1,0,0|3,0,0]=4 136 B8R1.2 NNC1CCNCC1 O29960 [0,0,0,1,0,0|3,0,0]=4 137 B8R1.2 NNC1CCNCC1 O31367 [0,0,0,1,0,0|3,0,0]=4 138 B8R1.2 NNC1CCNCC1 Q57490 [0,0,0,1,0,0|3,0,0]=4 139 B8R1.2 NNC1CCOCC1 C-3567 [0,0,0,1,0,0|3,0,0]=4 140 B8R1.2 NNC1CCOCC1 O31822 [0,0,0,1,0,0|3,0,0]=4 141 B8R1.2 NNC1CCOCC1 Q62217 [0,0,0,1,0,0|3,0,0]=4 142 B8R1.2 NNC1CCSCC1 O31250 [0,0,0,1,0,0|3,0,0]=4 143 B8R1.2 NOC1CCOCC1 Q57828 [0,0,0,1,0,0|3,0,0]=4 144 B8R1.2 O=CC1CCCCO1 Q60246 [0,0,0,1,0,0|2,0,0]=3 145 B8R1.2 O=CC1CCNCC1 O30562 [0,0,0,1,0,0|2,0,0]=3 146 B8R1.2 O=CC1CCOCC1 C-3265 [0,0,0,1,0,0|2,0,0]=3 147 B8R1.2 O=CC1CCSCC1 O32574 [0,0,0,1,0,0|2,0,0]=3 148 B8R1.2 OCC1CCCCS1 Q57888 [0,0,0,1,0,0|2,0,1]=4 149 B8R1.2 OCC1CCCOC1 F-4498 [0,0,0,1,0,0|2,0,1]=4 150 B8R1.2 OCC1CCCSC1 Q57993 [0,0,0,1,0,0|2,0,1]=4 151 B8R1.2 OCC1CCOCC1 C-3562 [0,0,0,1,0,0|2,0,1]=4 152 B8R1.2 OCC1CCSCC1 O31147 [0,0,0,1,0,0|2,0,1]=4 153 B8R1.2 OC[C@@H]1CCCCN1 M23455 [0,0,0,1,0,0|2,0,1]=4 154 B8R1.2 OC[C@@H]1CCCCO1 F-4789 [0,0,0,1,0,0|2,0,1]=4 155 B8R1.2 OC[C@@H]1CCCNC1 P44488 [0,0,0,1,0,0|2,0,1]=4 156 B8R1.2 OC[C@@H]1CCCOC1 P43927 [0,0,0,1,0,0|2,0,1]=4 157 B8R1.2 OC[C@H]1CCCCN1 M23615 [0,0,0,1,0,0|2,0,1]=4 158 B8R1.2 OC[C@H]1CCCCO1 P43928 [0,0,0,1,0,0|2,0,1]=4 159 B8R1.2 OC[C@H]1CCCNC1 O31559 [0,0,0,1,0,0|2,0,1]=4 160 B8R1.2 OC[C@H]1CCCNC1 P41232 [0,0,0,1,0,0|2,0,1]=4 161 B8R1.2 OC[C@H]1CCCOC1 P43926 [0,0,0,1,0,0|2,0,1]=4 162 B8R1.5 CC1CCCNC1=O L13669 [0,0,0,1,0,0|2,0,0]=3 163 B8R1.5 CC1CCNCC1=O F-4040 [0,0,0,1,0,0|2,0,0]=3 164 B8R1.5 CC1CCNCC1C Q59916 [0,0,0,1,0,0|1,0,2]=4 165 B8R1.5 CC1CCNCC1F Q59913 [0,0,0,1,0,0|2,0,1]=4 166 B8R1.5 CC1CCNCC1O F-4041 [0,0,0,1,0,0|2,0,1]=4 167 B8R1.5 CC1CCNCC1O G-7991 [0,0,0,1,0,0|2,0,1]=4 168 B8R1.5 CC1CNCCC1=O O34502 [0,0,0,1,0,0|2,0,0]=3 169 B8R1.5 CC1CNCCC1F Q54399 [0,0,0,1,0,0|2,0,1]=4 170 B8R1.5 CC1CNCCC1F Q54400 [0,0,0,1,0,0|2,0,1]=4 171 B8R1.5 CC1CNCCC1O I-9227 [0,0,0,1,0,0|2,0,1]=4 172 B8R1.5 CC1COCCC1=O F-4697 [0,0,0,1,0,0|2,0,0]=3 173 B8R1.5 CC1NCCCC1O Q61133 [0,0,0,1,0,0|2,0,1]=4 174 B8R1.5 CC1NCCNC1=O O34501 [0,0,0,1,0,0|3,0,0]=4 175 B8R1.5 CN1CCNCC1=O G-5499 [0,0,0,1,0,0|3,0,0]=4 176 B8R1.5 CN1CCNCC1=O G-5499-1 [0,0,0,1,0,0|3,0,0]=4 177 B8R1.5 C[C@@H]1CCCC[C@@H]1N O34546 [0,0,0,1,0,0|1,0,1]=3 178 B8R1.5 C[C@@H]1CCCC[C@@H]1N P46167 [0,0,0,1,0,0|1,0,1]=3 179 B8R1.5 C[C@@H]1CCCC[C@H]1N P44819 [0,0,0,1,0,0|1,0,1]=3 180 B8R1.5 C[C@@H]1CCCC[C@H]1N P44820 [0,0,0,1,0,0|1,0,1]=3 181 B8R1.5 C[C@@H]1CCCC[C@H]1N P45791 [0,0,0,1,0,0|1,0,1]=3 182 B8R1.5 C[C@@H]1CCCN[C@@H]1C P45337 [0,0,0,1,0,0|1,0,2]=4 183 B8R1.5 C[C@@H]1CCCN[C@@H]1C Q61336 [0,0,0,1,0,0|1,0,2]=4 184 B8R1.5 C[C@@H]1CCNC[C@@H]1O G-6540 [0,0,0,1,0,0|2,0,1]=4 185 B8R1.5 C[C@@H]1CCNC[C@@H]1O Q56504 [0,0,0,1,0,0|2,0,1]=4 186 B8R1.5 C[C@@H]1CCNC[C@H]1O Q56503 [0,0,0,1,0,0|2,0,1]=4 187 B8R1.5 C[C@@H]1CNCCN1C G-7636 [0,0,0,1,0,0|2,0,1]=4 188 B8R1.5 C[C@@H]1CNCCN1C L21507 [0,0,0,1,0,0|2,0,1]=4 189 B8R1.5 C[C@@H]1CNCC[C@@H]1F Q53340 [0,0,0,1,0,0|2,0,1]=4 190 B8R1.5 C[C@@H]1CNCC[C@H]1F Q53341 [0,0,0,1,0,0|2,0,1]=4 191 B8R1.5 C[C@@H]1CNCC[C@H]1O L21732 [0,0,0,1,0,0|2,0,1]=4 192 B8R1.5 C[C@@H]1CNCC[C@H]1O Q65201 [0,0,0,1,0,0|2,0,1]=4 193 B8R1.5 C[C@@H]1COCC[C@@H]1N Q52400 [0,0,0,1,0,0|2,0,1]=4 194 B8R1.5 C[C@@H]1COCC[C@H]1N O33010 [0,0,0,1,0,0|2,0,1]=4 195 B8R1.5 C[C@@H]1COCC[C@H]1N Q56430 [0,0,0,1,0,0|2,0,1]=4 196 B8R1.5 C[C@@H]1NCCC[C@@H]1O Q61250 [0,0,0,1,0,0|2,0,1]=4 197 B8R1.5 C[C@@H]1NCCC[C@H]1O Q61249 [0,0,0,1,0,0|2,0,1]=4 198 B8R1.5 C[C@@H]1NCCNC1=O O34331 [0,0,0,1,0,0|3,0,0]=4 199 B8R1.5 C[C@H]1CCCC[C@@H]1N P45803 [0,0,0,1,0,0|1,0,1]=3 200 B8R1.5 C[C@H]1CCCC[C@@H]1N P49914 [0,0,0,1,0,0|1,0,1]=3 201 B8R1.5 C[C@H]1CCCC[C@H]1N O34572 [0,0,0,1,0,0|1,0,1]=3 202 B8R1.5 C[C@H]1CCCC[C@H]1N P45166 [0,0,0,1,0,0|1,0,1]=3 203 B8R1.5 C[C@H]1CCNC[C@@H]1O G-6539 [0,0,0,1,0,0|2,0,1]=4 204 B8R1.5 C[C@H]1CNCCN1C G-7100 [0,0,0,1,0,0|2,0,1]=4 205 B8R1.5 C[C@H]1CNCCN1C L14176 [0,0,0,1,0,0|2,0,1]=4 206 B8R1.5 C[C@H]1CNCC[C@@H]1O Q65202 [0,0,0,1,0,0|2,0,1]=4 207 B8R1.5 C[C@H]1COCC[C@@H]1N G-7933 [0,0,0,1,0,0|2,0,1]=4 208 B8R1.5 C[C@H]1COCC[C@H]1N G-7268 [0,0,0,1,0,0|2,0,1]=4 209 B8R1.5 C[C@H]1COCC[C@H]1N Q52399 [0,0,0,1,0,0|2,0,1]=4 210 B8R1.5 C[C@H]1NCCC[C@@H]1O Q61135 [0,0,0,1,0,0|2,0,1]=4 211 B8R1.5 C[C@H]1NCCC[C@@H]1O Q61248 [0,0,0,1,0,0|2,0,1]=4 212 B8R1.5 C[C@H]1NCCC[C@H]1O Q61134 [0,0,0,1,0,0|2,0,1]=4 213 B8R1.5 C[C@H]1NCCC[C@H]1O Q61251 [0,0,0,1,0,0|2,0,1]=4 214 B8R1.5 C[C@H]1NCCNC1=O O34330 [0,0,0,1,0,0|3,0,0]=4 215 B8R1.5 NC1CCCCC1=O P45934 [0,0,0,1,0,0|2,0,0]=3 216 B8R1.5 NC1CCCCC1F P50555 [0,0,0,1,0,0|2,0,1]=4 217 B8R1.5 NN1CCCCC1=O B-1138 [0,0,0,1,0,0|3,0,0]=4 218 B8R1.5 N[C@@H]1CCCC[C@@H]1F P48909 [0,0,0,1,0,0|2,0,1]=4 219 B8R1.5 N[C@@H]1CCCC[C@@H]1O P46454 [0,0,0,1,0,0|2,0,1]=4 220 B8R1.5 N[C@@H]1CCCC[C@@H]1O P49846 [0,0,0,1,0,0|2,0,1]=4 221 B8R1.5 N[C@@H]1CCCC[C@H]1F P46966 [0,0,0,1,0,0|2,0,1]=4 222 B8R1.5 N[C@@H]1CCCC[C@H]1F P49016 [0,0,0,1,0,0|2,0,1]=4 223 B8R1.5 N[C@@H]1CCCC[C@H]1N M15638 [0,0,0,1,0,0|2,0,1]=4 224 B8R1.5 N[C@@H]1CCCC[C@H]1O P48754 [0,0,0,1,0,0|2,0,1]=4 225 B8R1.5 N[C@@H]1CCCNC1=O O34375 [0,0,0,1,0,0|3,0,0]=4 226 B8R1.5 N[C@H]1CCCC[C@@H]1F P49406 [0,0,0,1,0,0|2,0,1]=4 227 B8R1.5 N[C@H]1CCCC[C@@H]1O P44501 [0,0,0,1,0,0|2,0,1]=4 228 B8R1.5 N[C@H]1CCCC[C@H]1O P45876 [0,0,0,1,0,0|2,0,1]=4 229 B8R1.5 N[C@H]1CCCC[C@H]1O P46705 [0,0,0,1,0,0|2,0,1]=4 230 B8R1.5 N[C@H]1CCCNC1=O O34462 [0,0,0,1,0,0|3,0,0]=4 231 B8R1.5 O=C1CCCCC1Br L21639 [0,0,0,1,0,0|2,0,0]=3 232 B8R1.5 O=C1CCCCC1F P45307 [0,0,0,1,0,0|2,0,0]=3 233 B8R1.5 O=C1CCNCC1Br Q52493 [0,0,0,1,0,0|3,0,0]=4 234 B8R1.5 O=C1CCNCC1F G-7340 [0,0,0,1,0,0|3,0,0]=4 235 B8R1.5 O=C1CCNCC1F Q56501 [0,0,0,1,0,0|3,0,0]=4 236 B8R1.5 O=C1CCOCC1Br C-3416 [0,0,0,1,0,0|3,0,0]=4 237 B8R1.5 O=C1CCOCC1F G-7272 [0,0,0,1,0,0|3,0,0]=4 238 B8R1.5 O=C1CCOC[C@H]1F Q52309 [0,0,0,1,0,0|3,0,0]=4 239 B8R1.5 O=C1COCCC1Br Q54651 [0,0,0,1,0,0|3,0,0]=4 240 B8R1.5 O=C1NCCCC1Br L18696 [0,0,0,1,0,0|3,0,0]=4 241 B8R1.5 O=C1NCCC[C@@H]1O P36280 [0,0,0,1,0,0|3,0,0]=4 242 B8R1.5 O=C1NCCC[C@H]1O P39619 [0,0,0,1,0,0|3,0,0]=4 243 B8R1.5 O=C1OCCCC1Br L20669 [0,0,0,1,0,0|3,0,0]=4 244 B8R1.5 OC1CCCCC1Br Q59575 [0,0,0,1,0,0|2,0,1]=4 245 B8R1.8 BrCCC1CCCC1 P40215 [0,0,0,1,0,0|1,0,1]=3 246 B8R1.8 C#CCN1CCCC1 P36421 [0,0,0,1,0,0|1,0,2]=4 247 B8R1.8 CCNC1CCOC1 L13931 [0,0,0,1,0,0|2,0,1]=4 248 B8R1.8 CCOC1CCNC1 P42418 [0,0,0,1,0,0|2,0,1]=4 249 B8R1.8 CCO[C@@H]1CCNC1 L14178 [0,0,0,1,0,0|2,0,1]=4 250 B8R1.8 CCO[C@H]1CCNC1 L14118 [0,0,0,1,0,0|2,0,1]=4 251 B8R1.8 CCO[C@H]1CCNC1 P40747 [0,0,0,1,0,0|2,0,1]=4 252 B8R1.8 CNCC1CCCC1 P38031 [0,0,0,1,0,0|1,0,1]=3 253 B8R1.8 CNCC1CCOC1 L14905 [0,0,0,1,0,0|2,0,1]=4 254 B8R1.8 CNC[C@@H]1CCCN1 P49799 [0,0,0,1,0,0|2,0,1]=4 255 B8R1.8 CNC[C@H]1CCCN1 P45316 [0,0,0,1,0,0|2,0,1]=4 256 B8R1.8 COCC1CCCN1 O28849 [0,0,0,1,0,0|2,0,1]=4 257 B8R1.8 COCC1CCNC1 L18134 [0,0,0,1,0,0|2,0,1]=4 258 B8R1.8 COCC1CCNC1 L18135 [0,0,0,1,0,0|2,0,1]=4 259 B8R1.8 COC[C@@H]1CCCN1 L14013 [0,0,0,1,0,0|2,0,1]=4 260 B8R1.8 COC[C@@H]1CCNC1 L22515 [0,0,0,1,0,0|2,0,1]=4 261 B8R1.8 COC[C@@H]1CCNC1 S72614 [0,0,0,1,0,0|2,0,1]=4 262 B8R1.8 COC[C@H]1CCCN1 P35868 [0,0,0,1,0,0|2,0,1]=4 263 B8R1.8 COC[C@H]1CCNC1 L22047 [0,0,0,1,0,0|2,0,1]=4 264 B8R1.8 CSCC1CCNC1 Q59194 [0,0,0,1,0,0|2,0,1]=4 265 B8R1.8 N#CCC1CCCC1 P37327 [0,0,0,1,0,0|1,0,1]=3 266 B8R1.8 N#CCN1CCCC1 P51492 [0,0,0,1,0,0|2,0,1]=4 267 B8R1.8 NCCC1CCCC1 P37297 [0,0,0,1,0,0|1,0,1]=3 268 B8R1.8 NNCC1CCCC1 P44364 [0,0,0,1,0,0|2,0,0]=3 269 B8R1.8 NNCC1CCCC1 Q59135 [0,0,0,1,0,0|2,0,0]=3 270 B8R1.8 O=CCC1CCCC1 P37401 [0,0,0,1,0,0|1,0,0]=2 271 B8R1.8 O=CCN1CCCC1 P35023 [0,0,0,1,0,0|2,0,0]=3 272 B8R1.8 OCCC1CCCC1 P36182 [0,0,0,1,0,0|1,0,1]=3 273 B8R1.8 OCCC1CCCN1 G-5919 [0,0,0,1,0,0|2,0,1]=4 274 B8R1.8 OCCC1CCNC1 G-7310 [0,0,0,1,0,0|2,0,1]=4 275 B8R1.8 [N-]=[N+]=NC1CCCC1 P38734 [0,0,0,1,0,0|3,0,0]=4 276 B8R1.10 BrCCOC1CCC1 P49161 [0,0,0,1,0,0|2,0,1]=4 277 B8R1.10 C=CCCN1CCC1 P45309 [0,0,0,1,0,0|1,0,0]=2 278 B8R1.10 CC=CCN1CCC1 P45310 [0,0,0,1,0,0|1,0,2]=4 279 B8R1.10 CCCNC1CNC1 P48003 [0,0,0,1,0,0|2,0,1]=4 280 B8R1.10 CCCOC1CNC1 O30745 [0,0,0,1,0,0|2,0,1]=4 281 B8R1.10 CCCOC1CNC1 P44923 [0,0,0,1,0,0|2,0,1]=4 282 B8R1.10 CCNCC1CCC1 P45276 [0,0,0,1,0,0|1,0,2]=4 283 B8R1.10 CCNCC1CCC1 P45868 [0,0,0,1,0,0|1,0,2]=4 284 B8R1.10 CCNCC1CNC1 P44880 [0,0,0,1,0,0|2,0,1]=4 285 B8R1.10 CCOCC1CNC1 P44922 [0,0,0,1,0,0|2,0,1]=4 286 B8R1.10 CNCCC1CCC1 P34701 [0,0,0,1,0,0|1,0,1]=3 287 B8R1.10 CNCCN1CCC1 P44758 [0,0,0,1,0,0|2,0,1]=4 288 B8R1.10 COCCC1CNC1 P44773 [0,0,0,1,0,0|2,0,1]=4 289 B8R1.10 COCCC1CNC1 P44774 [0,0,0,1,0,0|2,0,1]=4 290 B8R1.10 N#CCCC1CNC1 P49391 [0,0,0,1,0,0|2,0,1]=4 291 B8R1.10 N#CCCN1CCC1 P47303 [0,0,0,1,0,0|2,0,1]=4 292 B8R1.10 NCCCC1CCC1 P35867 [0,0,0,1,0,0|1,0,1]=3 293 B8R1.10 NCCCN1CCC1 P45494 [0,0,0,1,0,0|2,0,1]=4 294 B8R1.10 NCCOC1CCC1 L20867 [0,0,0,1,0,0|2,0,1]=4 295 B8R1.10 NCCOC1CCC1 P48638 [0,0,0,1,0,0|2,0,1]=4 296 B8R1.10 O=C=NCC1CCC1 P47945 [0,0,0,1,0,0|2,0,1]=4 297 B8R1.10 O=CCCC1CCC1 P46841 [0,0,0,1,0,0|1,0,0]=2 298 B8R1.10 O=CCCC1CCO1 Q57245 [0,0,0,1,0,0|2,0,0]=3 299 B8R1.10 OCCCC1CNC1 P48483 [0,0,0,1,0,0|2,0,1]=4 300 B8R1.10 OCCCC1COC1 Q54775 [0,0,0,1,0,0|2,0,1]=4 301 B8R1.10 OCCCN1CCC1 P44834 [0,0,0,1,0,0|2,0,1]=4 302 B8R1.10 OCCNC1CCC1 P45739 [0,0,0,1,0,0|2,0,1]=4 303 B8R1.10 OCCOC1CCC1 P45345 [0,0,0,1,0,0|2,0,1]=4 304 B8R1.10 S=C=NCC1CCC1 P49812 [0,0,0,1,0,0|2,0,1]=4 305 B8R1.11 CC1CCCC1CN L20508 [0,0,0,1,0,0|1,0,1]=3 306 B8R1.11 CCC1CNCC1O Q59343 [0,0,0,1,0,0|2,0,1]=4 307 B8R1.11 CC[C@@H]1CNC[C@@H]1F Q56055 [0,0,0,1,0,0|2,0,1]=4 308 B8R1.11 CC[C@@H]1CNC[C@@H]1F Q61812 [0,0,0,1,0,0|2,0,1]=4 309 B8R1.11 CN1CCCC1CN P39264 [0,0,0,1,0,0|2,0,1]=4 310 B8R1.11 CN1CCC[C@@H]1CN C-3654 [0,0,0,1,0,0|2,0,1]=4 311 B8R1.11 CN1CCC[C@@H]1CO P44684 [0,0,0,1,0,0|2,0,1]=4 312 B8R1.11 CN1CCC[C@H]1CN C-3570 [0,0,0,1,0,0|2,0,1]=4 313 B8R1.11 CNC1CCNC1=O L20781 [0,0,0,1,0,0|3,0,0]=4 314 B8R1.11 CN[C@@H]1CCC[C@H]1O Q55268 [0,0,0,1,0,0|2,0,1]=4 315 B8R1.11 CN[C@@H]1CCC[C@H]1O Q61729 [0,0,0,1,0,0|2,0,1]=4 316 B8R1.11 COC1CCCC1N Q59137 [0,0,0,1,0,0|2,0,1]=4 317 B8R1.11 COC1CCCC1N Q59138 [0,0,0,1,0,0|2,0,1]=4 318 B8R1.11 CO[C@@H]1CCC[C@@H]1N Q52259 [0,0,0,1,0,0|2,0,1]=4 319 B8R1.11 CO[C@@H]1CCC[C@@H]1N Q52260 [0,0,0,1,0,0|2,0,1]=4 320 B8R1.11 CO[C@@H]1CCC[C@H]1N Q56991 [0,0,0,1,0,0|2,0,1]=4 321 B8R1.11 CO[C@@H]1CCN[C@H]1C Q61887 [0,0,0,1,0,0|2,0,1]=4 322 B8R1.11 CO[C@H]1CCC[C@@H]1N Q52257 [0,0,0,1,0,0|2,0,1]=4 323 B8R1.11 CO[C@H]1CCC[C@@H]1N Q56990 [0,0,0,1,0,0|2,0,1]=4 324 B8R1.11 CSC1CCCC1N Q59163 [0,0,0,1,0,0|2,0,1]=4 325 B8R1.11 C[C@@H]1NCC[C@@H]1CO Q62184 [0,0,0,1,0,0|2,0,1]=4 326 B8R1.11 C[C@H]1CNC[C@@H]1CO O33112 [0,0,0,1,0,0|2,0,1]=4 327 B8R1.11 C[C@H]1CNC[C@@H]1CO Q61714 [0,0,0,1,0,0|2,0,1]=4 328 B8R1.11 C[C@H]1CNC[C@@H]1CO S72706 [0,0,0,1,0,0|2,0,1]=4 329 B8R1.11 N#CC1CCCC1N Q54475 [0,0,0,1,0,0|2,0,1]=4 330 B8R1.11 N#C[C@@H]1CCC[C@@H]1N F-4843 [0,0,0,1,0,0|2,0,1]=4 331 B8R1.11 N#C[C@@H]1CCC[C@@H]1N G-7844 [0,0,0,1,0,0|2,0,1]=4 332 B8R1.11 N#C[C@@H]1CCC[C@@H]1N P50522 [0,0,0,1,0,0|2,0,1]=4 333 B8R1.11 N#C[C@@H]1CCC[C@@H]1N Q52161 [0,0,0,1,0,0|2,0,1]=4 334 B8R1.11 N#C[C@@H]1CCC[C@H]1O Q52678 [0,0,0,1,0,0|2,0,1]=4 335 B8R1.11 N#C[C@H]1CCC[C@H]1N L13306 [0,0,0,1,0,0|2,0,1]=4 336 B8R1.11 N#C[C@H]1CCC[C@H]1N Q52845 [0,0,0,1,0,0|2,0,1]=4 337 B8R1.11 N#C[C@H]1CCC[C@H]1N Q52846 [0,0,0,1,0,0|2,0,1]=4 338 B8R1.11 NCC1CCCC1N Q59144 [0,0,0,1,0,0|2,0,1]=4 339 B8R1.11 NCC1CCCC1O Q59145 [0,0,0,1,0,0|2,0,1]=4 340 B8R1.11 NC[C@@H]1CCC[C@H]1O Q52811 [0,0,0,1,0,0|2,0,1]=4 341 B8R1.11 NC[C@H]1CCC[C@@H]1O Q52812 [0,0,0,1,0,0|2,0,1]=4 342 B8R1.11 O=C1NCCC1CO L13115 [0,0,0,1,0,0|3,0,0]=4 343 B8R1.12 COC1CCC1CN P44996 [0,0,0,1,0,0|2,0,1]=4 344 B8R1.12 COC1CCC1CO P50853 [0,0,0,1,0,0|2,0,1]=4 345 B8R1.12 CO[C@@H]1CC[C@@H]1CO P50822 [0,0,0,1,0,0|2,0,1]=4 346 B8R1.12 CO[C@@H]1CC[C@H]1CO P50819 [0,0,0,1,0,0|2,0,1]=4 347 B8R1.12 NCC1CCC1CF P48302 [0,0,0,1,0,0|2,0,1]=4 348 B8R1.12 OCC1CCC1CO P45532 [0,0,0,1,0,0|2,0,1]=4 349 B8R1.13 CNCC1CCC1F P47231 [0,0,0,1,0,0|2,0,1]=4 350 B8R1.13 COCC1CCC1N P47021 [0,0,0,1,0,0|2,0,1]=4 351 B8R1.13 COCC1CCC1N P47931 [0,0,0,1,0,0|2,0,1]=4 352 B8R1.13 COC[C@H]1CC[C@@H]1N P46988 [0,0,0,1,0,0|2,0,1]=4 353 B8R1.13 COC[C@H]1CC[C@@H]1N P46994 [0,0,0,1,0,0|2,0,1]=4 354 B8R1.13 COC[C@H]1CC[C@H]1N P46962 [0,0,0,1,0,0|2,0,1]=4 355 B8R1.13 COC[C@H]1CC[C@H]1N P46995 [0,0,0,1,0,0|2,0,1]=4 356 B8R1.22 BrC1CCCCCC1 P39447 [0,0,0,1,0,0|1,0,1]=3 357 B8R1.22 CC1CCNCCN1 L14127 [0,0,0,1,0,0|2,0,1]=4 358 B8R1.22 FC1CCCNCC1 L18431 [0,0,0,1,0,0|2,0,1]=4 359 B8R1.22 O=C1CCCNCC1 A-576 [0,0,0,1,0,0|2,0,0]=3 360 B8R1.22 O=C1CCNCCN1 Q52595 [0,0,0,1,0,0|3,0,0]=4 361 B8R1.22 O=C1CNCCCN1 O34379 [0,0,0,1,0,0|3,0,0]=4 362 B8R1.22 O=C1CNCCNC1 P46870 [0,0,0,1,0,0|3,0,0]=4 363 B8R1.36 NCCNCC1CC1 P49859 [0,0,0,1,0,0|2,0,1]=4 364 B8R1.49 C1=CCCC=CCC1 L13664 [0,0,0,1,0,0|0,0,2]=3 365 B5R0.2 CCNCCCl L21040 [2,0,0,0,0,0|2,0,0]=4 366 B5R0.2 CNCCSC M23087 [2,0,0,0,0,0|2,0,0]=4 367 B5R0.2 CSCCCN P39434 [2,0,0,0,0,0|2,0,0]=4 368 B5R0.2 NCCCCS L19142 [2,0,0,0,0,0|2,0,0]=4 369 B7R0.3 CCCC[C@@H](N)CO P35979 [1,1,0,0,0,0|1,0,0]=3 370 B7R0.3 CCCC[C@H](N)CO P35978 [1,1,0,0,0,0|1,0,0]=3 371 B7R0.3 CCOCC(O)CN L19068 [1,1,0,0,0,0|2,0,0]=4 372 B7R0.3 CSCCC(N)CO P37819 [1,1,0,0,0,0|2,0,0]=4 373 B7R0.4 COCCCC(=O)O P39031 [1,1,0,0,0,0|2,0,0]=4 374 B7R0.7 CCCN(C)CCO Q66069 [1,1,0,0,0,0|2,0,0]=4 375 B9R0.4 CSCC[C@@H](N)CC(=O)O Q68976 [0,2,0,0,0,0|2,0,0]=4 376 B9R0.4 CSCC[C@@H](N)CC(=O)O Q68979 [0,2,0,0,0,0|2,0,0]=4 377 B9R0.4 CSCC[C@H](N)CC(=O)O Q69001 [0,2,0,0,0,0|2,0,0]=4 378 B9R0.5 CCCCCC(O)CCO O28430 [0,2,0,0,0,0|0,0,2]=4 379 B9R0.5 CCCCCN(C)CCO Q66064 [0,2,0,0,0,0|1,0,1]=4 380 B9R0.18 CCCCC(N)CCCC M15282 [0,2,0,0,0,0|0,0,2]=4 381 B9R0.2 CCCCCCCB(O)O N24230 [0,2,0,0,0,0|1,0,1]=4 382 B9R0.2 CNCCCCCC(=O)O P42203 [0,2,0,0,0,0|1,0,0]=3 383 B9R0.2 COCCOCCC(=O)O P41094 [0,2,0,0,0,0|2,0,0]=4 384 B9R0.2 O=C(O)CCCCCCBr P38930 [0,2,0,0,0,0|1,0,0]=3 385 B9R0.45 C#CCCCCCCCI Q66055 [0,2,0,0,0,0|0,0,2]=4 386 B9R0.45 COCCNCCCCO Q69506 [0,2,0,0,0,0|1,0,1]=4 387 B9R0.45 NCCCCCCCCO P40196 [0,2,0,0,0,0|0,0,2]=4 388 B9R0.45 [N-]=[N+]=NCCCCCCN L19181 [0,2,0,0,0,0|2,0,0]=4 389 B9R0.45 [N-]=[N+]=NCCCCCCN P41405 [0,2,0,0,0,0|2,0,0]=4 390 B9R0.45 [N-]=[N+]=NCCCCCCO P41187 [0,2,0,0,0,0|2,0,0]=4 391 B9R0.47 C=CCCC[C@@H](N)C(=O)O P42940 [0,2,0,0,0,0|1,0,1]=4 392 B9R0.47 C=CCCC[C@H](N)C(=O)O P40720 [0,2,0,0,0,0|1,0,1]=4 393 B9R0.47 CCCCCC(N)C(=O)O P42626 [0,2,0,0,0,0|1,0,0]=3 394 B9R0.47 CCCCC[C@@H](N)C(=O)O P38033 [0,2,0,0,0,0|1,0,0]=3 395 B9R0.47 CCCCC[C@H](N)C(=O)O P38032 [0,2,0,0,0,0|1,0,0]=3 396 B9R0.47 N[C@@H](CCCCO)C(=O)O P37153 [0,2,0,0,0,0|2,0,0]=4 397 B9R0.38 CCCCCCS(N)(=O)=O Q66039 [0,2,0,0,0,0|2,0,0]=4 398 B9R0.55 CN(C)CCCCC(=O)O P35297 [0,2,0,0,0,0|2,0,0]=4 399 B7R1.1 BrCC1=CCCC1 G-5335 [1,0,0,1,0,0|1,0,1]=4 400 B7R1.1 BrCC1CCOC1 C-3388 [1,0,0,1,0,0|2,0,0]=4 401 B7R1.1 CC[C@@H]1CCNC1 L14526 [1,0,0,1,0,0|1,0,1]=4 402 B7R1.1 CC[C@H]1CCNC1 L14527 [1,0,0,1,0,0|1,0,1]=4 403 B7R1.1 CNC1CCCC1 P36274 [1,0,0,1,0,0|1,0,1]=4 404 B7R1.1 FCC1CCCN1 Q52409 [1,0,0,1,0,0|2,0,0]=4 405 B7R1.1 FCC1CCNC1 L20341 [1,0,0,1,0,0|2,0,0]=4 406 B7R1.1 FC[C@@H]1CCCN1 G-5688 [1,0,0,1,0,0|2,0,0]=4 407 B7R1.1 FC[C@@H]1CCCN1 Q61799 [1,0,0,1,0,0|2,0,0]=4 408 B7R1.1 FC[C@@H]1CCNC1 P48130 [1,0,0,1,0,0|2,0,0]=4 409 B7R1.1 FC[C@@H]1CCNC1 Q61807 [1,0,0,1,0,0|2,0,0]=4 410 B7R1.1 FC[C@H]1CCCN1 I-9901 [1,0,0,1,0,0|2,0,0]=4 411 B7R1.1 FC[C@H]1CCCN1 Q51944 [1,0,0,1,0,0|2,0,0]=4 412 B7R1.1 FC[C@H]1CCNC1 P50376 [1,0,0,1,0,0|2,0,0]=4 413 B7R1.1 FC[C@H]1CCNC1 Q61806 [1,0,0,1,0,0|2,0,0]=4 414 B7R1.1 ICC1CCCC1 P39098 [1,0,0,1,0,0|1,0,0]=3 415 B7R1.1 ICC1CCOC1 I-9304 [1,0,0,1,0,0|2,0,0]=4 416 B7R1.1 NCC1CCCC1 F-4714 [1,0,0,1,0,0|1,0,0]=3 417 B7R1.1 NCC1CCCC1 L14012 [1,0,0,1,0,0|1,0,0]=3 418 B7R1.1 NCC1CCCN1 P37060 [1,0,0,1,0,0|2,0,0]=4 419 B7R1.1 NCC1CCOC1 C-3659 [1,0,0,1,0,0|2,0,0]=4 420 B7R1.1 NCC1CCOC1 G-6767 [1,0,0,1,0,0|2,0,0]=4 421 B7R1.1 NC[C@@H]1CCCN1 G-5891 [1,0,0,1,0,0|2,0,0]=4 422 B7R1.1 NC[C@@H]1CCOC1 C-2790 [1,0,0,1,0,0|2,0,0]=4 423 B7R1.1 NC[C@@H]1CCOC1 G-5015 [1,0,0,1,0,0|2,0,0]=4 424 B7R1.1 NC[C@H]1CCCN1 P42386 [1,0,0,1,0,0|2,0,0]=4 425 B7R1.1 NC[C@H]1CCNC1 Q55433 [1,0,0,1,0,0|2,0,0]=4 426 B7R1.1 NC[C@H]1CCOC1 C-2789 [1,0,0,1,0,0|2,0,0]=4 427 B7R1.1 NC[C@H]1CCOC1 G-5014 [1,0,0,1,0,0|2,0,0]=4 428 B7R1.1 NNC1CCCC1 O31761 [1,0,0,1,0,0|2,0,0]=4 429 B7R1.1 OCC1CCNC1 C-2924 [1,0,0,1,0,0|2,0,0]=4 430 B7R1.1 OCC1CCNC1 L13610 [1,0,0,1,0,0|2,0,0]=4 431 B7R1.1 OCC1CCOC1 C-3387 [1,0,0,1,0,0|2,0,0]=4 432 B7R1.1 OC[C@@H]1CCCO1 O32723 [1,0,0,1,0,0|2,0,0]=4 433 B7R1.1 OC[C@@H]1CCNC1 G-6083 [1,0,0,1,0,0|2,0,0]=4 434 B7R1.1 OC[C@@H]1CCNC1 L13662 [1,0,0,1,0,0|2,0,0]=4 435 B7R1.1 OC[C@@H]1CCOC1 C-2787 [1,0,0,1,0,0|2,0,0]=4 436 B7R1.1 OC[C@H]1CCNC1 G-6082 [1,0,0,1,0,0|2,0,0]=4 437 B7R1.1 OC[C@H]1CCNC1 L14041 [1,0,0,1,0,0|2,0,0]=4 438 B7R1.1 OC[C@H]1CCOC1 C-2788 [1,0,0,1,0,0|2,0,0]=4 439 B7R1.3 BrC1=CCCCC1 N24288 [1,0,0,1,0,0|1,0,1]=4 440 B7R1.3 BrC1C=CCCC1 P44668 [1,0,0,1,0,0|1,0,0]=3 441 B7R1.3 BrC1CCCNC1 H-8368 [1,0,0,1,0,0|2,0,0]=4 442 B7R1.3 BrC1CCCOC1 O33555 [1,0,0,1,0,0|2,0,0]=4 443 B7R1.3 BrC1CCOCC1 C-3420 [1,0,0,1,0,0|2,0,0]=4 444 B7R1.3 C=C1CCCNC1 Q59836 [1,0,0,1,0,0|1,0,0]=3 445 B7R1.3 C=C1CCCOC1 Q54979 [1,0,0,1,0,0|1,0,0]=3 446 B7R1.3 C=C1CCNCC1 H-8338 [1,0,0,1,0,0|1,0,0]=3 447 B7R1.3 C=C1CCNCC1 Q55164 [1,0,0,1,0,0|1,0,0]=3 448 B7R1.3 C=C1CCOCC1 L13714 [1,0,0,1,0,0|1,0,0]=3 449 B7R1.3 CC1=CCCNC1 I-9121 [1,0,0,1,0,0|1,0,1]=4 450 B7R1.3 CC1=CCNCC1 I-9119 [1,0,0,1,0,0|1,0,1]=4 451 B7R1.3 CC1CNCCO1 B-1061 [1,0,0,1,0,0|2,0,0]=4 452 B7R1.3 CC1CNCCO1 B-1061-1 [1,0,0,1,0,0|2,0,0]=4 453 B7R1.3 CC1COCCN1 B-1060 [1,0,0,1,0,0|2,0,0]=4 454 B7R1.3 CC1COCCN1 O28936 [1,0,0,1,0,0|2,0,0]=4 455 B7R1.3 C[C@@H]1CCCCN1 P40572 [1,0,0,1,0,0|1,0,0]=3 456 B7R1.3 C[C@@H]1CCCNC1 Q55825 [1,0,0,1,0,0|1,0,1]=4 457 B7R1.3 C[C@@H]1CNCCO1 B-1063 [1,0,0,1,0,0|2,0,0]=4 458 B7R1.3 C[C@@H]1CNCCO1 B-1063-1 [1,0,0,1,0,0|2,0,0]=4 459 B7R1.3 C[C@@H]1COCCN1 B-1058 [1,0,0,1,0,0|2,0,0]=4 460 B7R1.3 C[C@@H]1COCCN1 P34848 [1,0,0,1,0,0|2,0,0]=4 461 B7R1.3 C[C@H]1CCCCN1 P38855 [1,0,0,1,0,0|1,0,0]=3 462 B7R1.3 C[C@H]1CCCCN1 Q54716 [1,0,0,1,0,0|1,0,0]=3 463 B7R1.3 C[C@H]1CCCNC1 Q55824 [1,0,0,1,0,0|1,0,1]=4 464 B7R1.3 C[C@H]1CNCCO1 B-1062 [1,0,0,1,0,0|2,0,0]=4 465 B7R1.3 C[C@H]1CNCCO1 B-1062-1 [1,0,0,1,0,0|2,0,0]=4 466 B7R1.3 C[C@H]1COCCN1 B-1059 [1,0,0,1,0,0|2,0,0]=4 467 B7R1.3 C[C@H]1COCCN1 P42980 [1,0,0,1,0,0|2,0,0]=4 468 B7R1.3 ClC1CCCOC1 Q57646 [1,0,0,1,0,0|2,0,0]=4 469 B7R1.3 FC1CCCNC1 C-2254 [1,0,0,1,0,0|2,0,0]=4 470 B7R1.3 F[C@@H]1CCCNC1 G-5231 [1,0,0,1,0,0|2,0,0]=4 471 B7R1.3 F[C@H]1CCCNC1 C-2765 [1,0,0,1,0,0|2,0,0]=4 472 B7R1.3 IC1CCOCC1 C-3266 [1,0,0,1,0,0|2,0,0]=4 473 B7R1.3 NC1CCCOC1 I-9177 [1,0,0,1,0,0|2,0,0]=4 474 B7R1.3 NC1CCCOC1 Q56350 [1,0,0,1,0,0|2,0,0]=4 475 B7R1.3 NC1CCOCC1 B-1768 [1,0,0,1,0,0|2,0,0]=4 476 B7R1.3 NC1CCOCC1 G-5110 [1,0,0,1,0,0|2,0,0]=4 477 B7R1.3 NC1CCSCC1 O33298 [1,0,0,1,0,0|2,0,0]=4 478 B7R1.3 N[C@@H]1CCCNC1 I-9160 [1,0,0,1,0,0|2,0,0]=4 479 B7R1.3 N[C@@H]1CCCOC1 I-9746 [1,0,0,1,0,0|2,0,0]=4 480 B7R1.3 O=C1CCCNC1 A-184 [1,0,0,1,0,0|2,0,0]=4 481 B7R1.3 O=C1CCCOC1 G-6070 [1,0,0,1,0,0|2,0,0]=4 482 B7R1.3 O=C1CCCSC1 G-5937 [1,0,0,1,0,0|2,0,0]=4 483 B7R1.3 O=C1CCOCC1 B-1770 [1,0,0,1,0,0|2,0,0]=4 484 B7R1.3 O=C1CCSCC1 C-2949 [1,0,0,1,0,0|2,0,0]=4 485 B7R1.3 OC1C=CCOC1 Q63933 [1,0,0,1,0,0|2,0,0]=4 486 B7R1.3 OC1CCCOC1 G-6220 [1,0,0,1,0,0|2,0,0]=4 487 B7R1.3 OC1CCNCC1 Q52555 [1,0,0,1,0,0|2,0,0]=4 488 B7R1.3 OC1CCOCC1 B-1769 [1,0,0,1,0,0|2,0,0]=4 489 B7R1.3 OC1CCSCC1 Q69934 [1,0,0,1,0,0|2,0,0]=4 490 B7R1.3 O[C@@H]1C=CCOC1 Q63935 [1,0,0,1,0,0|2,0,0]=4 491 B7R1.3 O[C@@H]1CCCNC1 K12060 [1,0,0,1,0,0|2,0,0]=4 492 B7R1.3 O[C@@H]1CCCOC1 P44487 [1,0,0,1,0,0|2,0,0]=4 493 B7R1.3 O[C@H]1C=CCOC1 Q63934 [1,0,0,1,0,0|2,0,0]=4 494 B7R1.3 O[C@H]1CCCNC1 K12075 [1,0,0,1,0,0|2,0,0]=4 495 B7R1.3 O[C@H]1CCCNC1 L13549 [1,0,0,1,0,0|2,0,0]=4 496 B7R1.3 O[C@H]1CCCOC1 P51230 [1,0,0,1,0,0|2,0,0]=4 497 B7R1.3 SC1CCCNC1 L21541 [1,0,0,1,0,0|2,0,0]=4 498 B7R1.3 SC1CCCOC1 Q57701 [1,0,0,1,0,0|2,0,0]=4 499 B7R1.3 SC1CCNCC1 I-9049 [1,0,0,1,0,0|2,0,0]=4 500 B7R1.4 CC1CCNC1=O O30375 [1,0,0,1,0,0|2,0,0]=4 501 B7R1.4 CC1CCNC1C Q61659 [1,0,0,1,0,0|1,0,1]=4 502 B7R1.4 CC1CNCC1C O33388 [1,0,0,1,0,0|1,0,1]=4 503 B7R1.4 CC1CNCC1F Q54416 [1,0,0,1,0,0|2,0,0]=4 504 B7R1.4 CC1CNCC1O Q59312 [1,0,0,1,0,0|2,0,0]=4 505 B7R1.4 CN1CCCC1=N Q59266 [1,0,0,1,0,0|2,0,0]=4 506 B7R1.4 C[C@@H]1CCC[C@@H]1N Q53279 [1,0,0,1,0,0|1,0,0]=3 507 B7R1.4 C[C@@H]1CCC[C@@H]1N Q53280 [1,0,0,1,0,0|1,0,0]=3 508 B7R1.4 C[C@@H]1CCNC1=O Q61716 [1,0,0,1,0,0|2,0,0]=4 509 B7R1.4 C[C@@H]1CNC[C@@H]1F Q56053 [1,0,0,1,0,0|2,0,0]=4 510 B7R1.4 C[C@@H]1CNC[C@@H]1F Q56054 [1,0,0,1,0,0|2,0,0]=4 511 B7R1.4 C[C@@H]1CNC[C@@H]1N Q61701 [1,0,0,1,0,0|2,0,0]=4 512 B7R1.4 C[C@@H]1CNC[C@@H]1N Q61702 [1,0,0,1,0,0|2,0,0]=4 513 B7R1.4 C[C@@H]1CNC[C@@H]1O L22286 [1,0,0,1,0,0|2,0,0]=4 514 B7R1.4 C[C@@H]1CNC[C@@H]1O Q55495 [1,0,0,1,0,0|2,0,0]=4 515 B7R1.4 C[C@@H]1CNC[C@H]1O L22285 [1,0,0,1,0,0|2,0,0]=4 516 B7R1.4 C[C@@H]1CNC[C@H]1O Q55494 [1,0,0,1,0,0|2,0,0]=4 517 B7R1.4 C[C@@H]1COC[C@H]1N F-4262 [1,0,0,1,0,0|2,0,0]=4 518 B7R1.4 C[C@@H]1NCC[C@@H]1O Q64145 [1,0,0,1,0,0|2,0,0]=4 519 B7R1.4 C[C@@H]1NCC[C@H]1O Q64143 [1,0,0,1,0,0|2,0,0]=4 520 B7R1.4 C[C@H]1CCC[C@@H]1N Q53277 [1,0,0,1,0,0|1,0,0]=3 521 B7R1.4 C[C@H]1CCC[C@@H]1N Q53278 [1,0,0,1,0,0|1,0,0]=3 522 B7R1.4 C[C@H]1CCNC1=O Q61658 [1,0,0,1,0,0|2,0,0]=4 523 B7R1.4 C[C@H]1COC[C@@H]1N L13875 [1,0,0,1,0,0|2,0,0]=4 524 B7R1.4 C[C@H]1NCC[C@@H]1O Q64142 [1,0,0,1,0,0|2,0,0]=4 525 B7R1.4 C[C@H]1NCC[C@H]1O Q64144 [1,0,0,1,0,0|2,0,0]=4 526 B7R1.4 NC1CCCC1Cl Q54474 [1,0,0,1,0,0|2,0,0]=4 527 B7R1.4 NC1CCCC1F Q54472 [1,0,0,1,0,0|2,0,0]=4 528 B7R1.4 NC1CCCC1F Q54473 [1,0,0,1,0,0|2,0,0]=4 529 B7R1.4 NC1CCCC1O F-4442 [1,0,0,1,0,0|2,0,0]=4 530 B7R1.4 N[C@@H]1CCC[C@@H]1F Q61724 [1,0,0,1,0,0|2,0,0]=4 531 B7R1.4 N[C@@H]1CCC[C@@H]1F Q61725 [1,0,0,1,0,0|2,0,0]=4 532 B7R1.4 N[C@@H]1CCC[C@@H]1O F-4443 [1,0,0,1,0,0|2,0,0]=4 533 B7R1.4 N[C@@H]1CCC[C@@H]1O F-4445 [1,0,0,1,0,0|2,0,0]=4 534 B7R1.4 N[C@@H]1CCC[C@H]1F O32983 [1,0,0,1,0,0|2,0,0]=4 535 B7R1.4 N[C@@H]1CCC[C@H]1F Q61721 [1,0,0,1,0,0|2,0,0]=4 536 B7R1.4 N[C@@H]1CCC[C@H]1F Q61728 [1,0,0,1,0,0|2,0,0]=4 537 B7R1.4 N[C@@H]1CCC[C@H]1N L21303 [1,0,0,1,0,0|2,0,0]=4 538 B7R1.4 N[C@@H]1CCC[C@H]1N Q61965 [1,0,0,1,0,0|2,0,0]=4 539 B7R1.4 N[C@@H]1CCC[C@H]1O F-4450 [1,0,0,1,0,0|2,0,0]=4 540 B7R1.4 N[C@@H]1CCC[C@H]1O I-9382 [1,0,0,1,0,0|2,0,0]=4 541 B7R1.4 N[C@H]1CCC[C@@H]1F Q61723 [1,0,0,1,0,0|2,0,0]=4 542 B7R1.4 N[C@H]1CCC[C@@H]1O F-4444 [1,0,0,1,0,0|2,0,0]=4 543 B7R1.4 N[C@H]1CCC[C@@H]1O F-4447 [1,0,0,1,0,0|2,0,0]=4 544 B7R1.4 N[C@H]1CCC[C@@H]1O F-4448 [1,0,0,1,0,0|2,0,0]=4 545 B7R1.4 N[C@H]1CCC[C@H]1F Q61722 [1,0,0,1,0,0|2,0,0]=4 546 B7R1.4 N[C@H]1CCC[C@H]1F Q61726 [1,0,0,1,0,0|2,0,0]=4 547 B7R1.4 N[C@H]1CCC[C@H]1F Q61727 [1,0,0,1,0,0|2,0,0]=4 548 B7R1.4 N[C@H]1CCC[C@H]1N O33475 [1,0,0,1,0,0|2,0,0]=4 549 B7R1.4 N[C@H]1CCC[C@H]1O F-4446 [1,0,0,1,0,0|2,0,0]=4 550 B7R1.4 N[C@H]1CCC[C@H]1O F-4449 [1,0,0,1,0,0|2,0,0]=4 551 B7R1.4 N[C@H]1CCC[C@H]1O Q52258 [1,0,0,1,0,0|2,0,0]=4 552 B7R1.4 O=C1CCCC1O Q61720 [1,0,0,1,0,0|2,0,0]=4 553 B7R1.4 OC1CCCC1F L19027 [1,0,0,1,0,0|2,0,0]=4 554 B7R1.4 O[C@@H]1CCC[C@H]1F Q62078 [1,0,0,1,0,0|2,0,0]=4 555 B7R1.4 O[C@H]1CCC[C@@H]1O Q61543 [1,0,0,1,0,0|2,0,0]=4 556 B7R1.6 BrCCC1CCO1 Q56185 [1,0,0,1,0,0|2,0,0]=4 557 B7R1.6 BrCCC1COC1 Q62635 [1,0,0,1,0,0|2,0,0]=4 558 B7R1.6 BrCCN1CCC1 P49207 [1,0,0,1,0,0|2,0,0]=4 559 B7R1.6 C=CCC1CNC1 H-8202 [1,0,0,1,0,0|1,0,0]=3 560 B7R1.6 C=CCN1CCC1 P45061 [1,0,0,1,0,0|1,0,0]=3 561 B7R1.6 CCCC1CNC1 P43152 [1,0,0,1,0,0|1,0,1]=4 562 B7R1.6 CCCC1CNC1 P44924 [1,0,0,1,0,0|1,0,1]=4 563 B7R1.6 CCNC1CCC1 P34707 [1,0,0,1,0,0|1,0,1]=4 564 B7R1.6 CCNC1CCC1 P45089 [1,0,0,1,0,0|1,0,1]=4 565 B7R1.6 CNCC1CCC1 P42057 [1,0,0,1,0,0|1,0,1]=4 566 B7R1.6 CNCC1CCC1 P44415 [1,0,0,1,0,0|1,0,1]=4 567 B7R1.6 CNCC1CCO1 Q55851 [1,0,0,1,0,0|2,0,0]=4 568 B7R1.6 COCC1CCN1 I-9954 [1,0,0,1,0,0|2,0,0]=4 569 B7R1.6 COCC1CCN1 Q56488 [1,0,0,1,0,0|2,0,0]=4 570 B7R1.6 COCC1CCN1 Q56489 [1,0,0,1,0,0|2,0,0]=4 571 B7R1.6 COC[C@@H]1CCN1 G-6501 [1,0,0,1,0,0|2,0,0]=4 572 B7R1.6 COC[C@@H]1CCN1 L13813 [1,0,0,1,0,0|2,0,0]=4 573 B7R1.6 COC[C@H]1CCN1 G-7976 [1,0,0,1,0,0|2,0,0]=4 574 B7R1.6 ClCOC1CCC1 P49912 [1,0,0,1,0,0|2,0,0]=4 575 B7R1.6 FCCC1CNC1 P50454 [1,0,0,1,0,0|2,0,0]=4 576 B7R1.6 ICCC1CCO1 Q56184 [1,0,0,1,0,0|2,0,0]=4 577 B7R1.6 ICCC1COC1 Q62634 [1,0,0,1,0,0|2,0,0]=4 578 B7R1.6 N#CCC1CCC1 P38067 [1,0,0,1,0,0|1,0,1]=4 579 B7R1.6 NCCC1CCC1 L18182 [1,0,0,1,0,0|1,0,0]=3 580 B7R1.6 NCCC1CCC1 P48448 [1,0,0,1,0,0|1,0,0]=3 581 B7R1.6 NCCC1CCO1 O32973 [1,0,0,1,0,0|2,0,0]=4 582 B7R1.6 NCCC1CNC1 P48388 [1,0,0,1,0,0|2,0,0]=4 583 B7R1.6 NCCC1COC1 P49100 [1,0,0,1,0,0|2,0,0]=4 584 B7R1.6 NCCC1CSC1 Q58816 [1,0,0,1,0,0|2,0,0]=4 585 B7R1.6 NCCN1CCC1 L14069 [1,0,0,1,0,0|2,0,0]=4 586 B7R1.6 NCC[C@@H]1CCO1 Q56188 [1,0,0,1,0,0|2,0,0]=4 587 B7R1.6 NCC[C@H]1CCO1 Q56187 [1,0,0,1,0,0|2,0,0]=4 588 B7R1.6 NNCC1CCC1 L14190 [1,0,0,1,0,0|2,0,0]=4 589 B7R1.6 O=CCC1CCC1 P45355 [1,0,0,1,0,0|1,0,0]=3 590 B7R1.6 O=CCC1CCO1 Q56186 [1,0,0,1,0,0|2,0,0]=4 591 B7R1.6 O=CCN1CCC1 P47882 [1,0,0,1,0,0|2,0,0]=4 592 B7R1.6 OCCC1CCC1 P34706 [1,0,0,1,0,0|1,0,0]=3 593 B7R1.6 OCCC1CCO1 F-4763 [1,0,0,1,0,0|2,0,0]=4 594 B7R1.6 OCCC1CNC1 L21357 [1,0,0,1,0,0|2,0,0]=4 595 B7R1.6 OCCC1CNC1 P44027 [1,0,0,1,0,0|2,0,0]=4 596 B7R1.6 OCCC1COC1 G-5285 [1,0,0,1,0,0|2,0,0]=4 597 B7R1.6 OCCC1CSC1 Q58815 [1,0,0,1,0,0|2,0,0]=4 598 B7R1.6 OCCN1CCC1 P44493 [1,0,0,1,0,0|2,0,0]=4 599 B7R1.6 OCC[C@@H]1CCO1 Q56146 [1,0,0,1,0,0|2,0,0]=4 600 B7R1.6 OCC[C@H]1CCO1 Q56145 [1,0,0,1,0,0|2,0,0]=4 601 B7R1.7 CCCNC1CC1 P36383 [1,0,0,1,0,0|1,0,1]=4 602 B7R1.7 CCCNC1CC1 P41552 [1,0,0,1,0,0|1,0,1]=4 603 B7R1.7 CNCCC1CC1 P40835 [1,0,0,1,0,0|1,0,1]=4 604 B7R1.7 NCCNC1CC1 O30035 [1,0,0,1,0,0|2,0,0]=4 605 B7R1.7 OCCNC1CC1 P38598 [1,0,0,1,0,0|2,0,0]=4 606 B7R1.8 CC1CCC1CO P48346 [1,0,0,1,0,0|1,0,0]=3 607 B7R1.8 CC1OCC1CO Q56093 [1,0,0,1,0,0|2,0,0]=4 608 B7R1.8 CN1CCC1CN L18103 [1,0,0,1,0,0|2,0,0]=4 609 B7R1.8 CN1CCC1CN P43972 [1,0,0,1,0,0|2,0,0]=4 610 B7R1.8 CN1CCC1CO P47720 [1,0,0,1,0,0|2,0,0]=4 611 B7R1.8 CN1CC[C@@H]1CN L18105 [1,0,0,1,0,0|2,0,0]=4 612 B7R1.8 CN1CC[C@@H]1CN P43970 [1,0,0,1,0,0|2,0,0]=4 613 B7R1.8 CN1CC[C@@H]1CO P46629 [1,0,0,1,0,0|2,0,0]=4 614 B7R1.8 CN1CC[C@H]1CN L18104 [1,0,0,1,0,0|2,0,0]=4 615 B7R1.8 CN1CC[C@H]1CN P43971 [1,0,0,1,0,0|2,0,0]=4 616 B7R1.8 CN1CC[C@H]1CO P44139 [1,0,0,1,0,0|2,0,0]=4 617 B7R1.8 COC1CCC1=O P45632 [1,0,0,1,0,0|2,0,0]=4 618 B7R1.8 CO[C@@H]1CC[C@@H]1N P50889 [1,0,0,1,0,0|2,0,0]=4 619 B7R1.8 CO[C@@H]1CC[C@@H]1N P50890 [1,0,0,1,0,0|2,0,0]=4 620 B7R1.8 CO[C@@H]1CC[C@H]1N P46967 [1,0,0,1,0,0|2,0,0]=4 621 B7R1.8 CO[C@@H]1CC[C@H]1N P50886 [1,0,0,1,0,0|2,0,0]=4 622 B7R1.8 CO[C@H]1CC[C@@H]1N P50517 [1,0,0,1,0,0|2,0,0]=4 623 B7R1.8 CO[C@H]1CC[C@H]1N P50488 [1,0,0,1,0,0|2,0,0]=4 624 B7R1.8 NCC1CCC1F P47834 [1,0,0,1,0,0|2,0,0]=4 625 B7R1.8 NCC1CCC1F P50566 [1,0,0,1,0,0|2,0,0]=4 626 B7R1.8 O=C1CCC1CO L18510 [1,0,0,1,0,0|2,0,0]=4 627 B7R1.8 OCC1CCC1F P47249 [1,0,0,1,0,0|2,0,0]=4 628 B7R1.8 OCC1CCC1O P50851 [1,0,0,1,0,0|2,0,0]=4 629 B7R1.8 OC[C@@H]1CC[C@H]1O P50820 [1,0,0,1,0,0|2,0,0]=4 630 B7R1.8 OC[C@H]1CC[C@H]1O P48230 [1,0,0,1,0,0|2,0,0]=4 631 B7R1.9 OC[C@H]1C[C@H]1CO L22279 [1,0,0,1,0,0|2,0,0]=4 632 B7R1.24 C1CNCCOC1 O28784 [1,0,0,1,0,0|2,0,0]=4 633 B9R1.2 C=CC1CCCC(=O)C1 P47289 [0,1,0,1,0,0|0,0,1]=3 634 B9R1.2 CC1CCCC(C=O)C1 Q59550 [0,1,0,1,0,0|1,0,0]=3 635 B9R1.2 CC1CCCC(CBr)C1 Q59544 [0,1,0,1,0,0|1,0,1]=4 636 B9R1.2 CC1CCCC(CO)C1 Q59549 [0,1,0,1,0,0|1,0,1]=4 637 B9R1.2 CC1CCCC(CO)N1 F-4721 [0,1,0,1,0,0|1,0,1]=4 638 B9R1.2 CC1CCCC(NN)C1 L20937 [0,1,0,1,0,0|2,0,0]=4 639 B9R1.2 CC1CCCC(NN)C1 Q59504 [0,1,0,1,0,0|2,0,0]=4 640 B9R1.2 CCC1CC(=O)CCO1 10650 [0,1,0,1,0,0|1,0,1]=4 641 B9R1.2 CCC1CC(N)CCO1 Q57607 [0,1,0,1,0,0|1,0,1]=4 642 B9R1.2 CCC1CC(O)CCO1 Q57706 [0,1,0,1,0,0|1,0,1]=4 643 B9R1.2 CN1CCCC(C=O)C1 S72464 [0,1,0,1,0,0|2,0,0]=4 644 B9R1.2 COC1CCCC(=O)C1 P44206 [0,1,0,1,0,0|1,0,1]=4 645 B9R1.2 COC1CCCC(O)C1 L21478 [0,1,0,1,0,0|1,0,1]=4 646 B9R1.2 CO[C@@H]1CCC[C@@H](N)C1 P49873 [0,1,0,1,0,0|1,0,1]=4 647 B9R1.2 CO[C@@H]1CCC[C@@H](O)C1 P46941 [0,1,0,1,0,0|1,0,1]=4 648 B9R1.2 CO[C@@H]1CCC[C@H](O)C1 P46930 [0,1,0,1,0,0|1,0,1]=4 649 B9R1.2 CO[C@@H]1CCC[C@H](O)C1 P47713 [0,1,0,1,0,0|1,0,1]=4 650 B9R1.2 CO[C@H]1CCC[C@@H](O)C1 P46929 [0,1,0,1,0,0|1,0,1]=4 651 B9R1.2 CO[C@H]1CCC[C@H](O)C1 P45107 [0,1,0,1,0,0|1,0,1]=4 652 B9R1.2 CO[C@H]1CCC[C@H](O)C1 P46656 [0,1,0,1,0,0|1,0,1]=4 653 B9R1.2 C[C@H]1CCOC(C=O)C1 Q57858 [0,1,0,1,0,0|2,0,0]=4 654 B9R1.2 NCC1CCCC(=O)N1 Q65073 [0,1,0,1,0,0|2,0,0]=4 655 B9R1.2 NCC1CCCC(O)C1 P49691 [0,1,0,1,0,0|1,0,1]=4 656 B9R1.2 N[C@@H]1CCC[C@@H](CO)C1 P48428 [0,1,0,1,0,0|1,0,1]=4 657 B9R1.2 O=C1CCCC(CCl)N1 Q59897 [0,1,0,1,0,0|2,0,0]=4 658 B9R1.2 O=C1CCCC(CO)N1 10055 [0,1,0,1,0,0|2,0,0]=4 659 B9R1.2 O=C1CCC[C@H](CO)N1 Q65248 [0,1,0,1,0,0|2,0,0]=4 660 B9R1.8 BrCCC1CCCCC1 P40749 [0,1,0,1,0,0|0,0,2]=4 661 B9R1.8 BrCCC1CCOCC1 P37969 [0,1,0,1,0,0|1,0,1]=4 662 B9R1.8 CCCC1CCCNC1 Q59858 [0,1,0,1,0,0|0,0,2]=4 663 B9R1.8 CCCC1CCNCC1 M22635 [0,1,0,1,0,0|0,0,2]=4 664 B9R1.8 CCC[C@@H]1CCCCN1 Q54719 [0,1,0,1,0,0|0,0,2]=4 665 B9R1.8 CCOC1CCCNC1 P42499 [0,1,0,1,0,0|1,0,1]=4 666 B9R1.8 CNCC1CCCCC1 P39298 [0,1,0,1,0,0|0,0,2]=4 667 B9R1.8 CNCC1CCCCC1 Q59474 [0,1,0,1,0,0|0,0,2]=4 668 B9R1.8 CNCC1CCCOC1 L14590 [0,1,0,1,0,0|1,0,1]=4 669 B9R1.8 CNCC1CCOCC1 I-9263 [0,1,0,1,0,0|1,0,1]=4 670 B9R1.8 COCC1CCCCN1 O28609 [0,1,0,1,0,0|1,0,1]=4 671 B9R1.8 COCC1CCCCN1 Q60043 [0,1,0,1,0,0|1,0,1]=4 672 B9R1.8 COCC1CCCNC1 O28836 [0,1,0,1,0,0|1,0,1]=4 673 B9R1.8 COCC1CCNCC1 L21390 [0,1,0,1,0,0|1,0,1]=4 674 B9R1.8 COC[C@@H]1CCCNC1 P35700 [0,1,0,1,0,0|1,0,1]=4 675 B9R1.8 COC[C@H]1CCCNC1 P35650 [0,1,0,1,0,0|1,0,1]=4 676 B9R1.8 ClCCC1CCOCC1 Q57792 [0,1,0,1,0,0|1,0,1]=4 677 B9R1.8 FCCC1CCCNC1 Q57445 [0,1,0,1,0,0|1,0,1]=4 678 B9R1.8 FCCC1CCNCC1 Q57446 [0,1,0,1,0,0|1,0,1]=4 679 B9R1.8 FCCC1CCNCC1 Q57447 [0,1,0,1,0,0|1,0,1]=4 680 B9R1.8 ICCC1CCOCC1 O29698 [0,1,0,1,0,0|1,0,1]=4 681 B9R1.8 N#CC=C1CCCCC1 P44414 [0,1,0,1,0,0|0,0,2]=4 682 B9R1.8 N#CCC1CCCCC1 P38061 [0,1,0,1,0,0|0,0,2]=4 683 B9R1.8 N#CCC1CCCNC1 M23514 [0,1,0,1,0,0|1,0,1]=4 684 B9R1.8 N#CCC1CCNCC1 M23969 [0,1,0,1,0,0|1,0,1]=4 685 B9R1.8 N#CCC1CCOCC1 P35807 [0,1,0,1,0,0|1,0,1]=4 686 B9R1.8 NCCC1CCCCC1 P34723 [0,1,0,1,0,0|0,0,2]=4 687 B9R1.8 NCCC1CCCCO1 P38225 [0,1,0,1,0,0|1,0,1]=4 688 B9R1.8 NCCC1CCCOC1 S72503 [0,1,0,1,0,0|1,0,1]=4 689 B9R1.8 NCCC1CCOCC1 G-5344 [0,1,0,1,0,0|1,0,1]=4 690 B9R1.8 NCCC1CCSCC1 Q56858 [0,1,0,1,0,0|1,0,1]=4 691 B9R1.8 NNCC1CCCCC1 P44365 [0,1,0,1,0,0|1,0,1]=4 692 B9R1.8 NNCC1CCCCO1 L20946 [0,1,0,1,0,0|2,0,0]=4 693 B9R1.8 NNCC1CCCCO1 Q57605 [0,1,0,1,0,0|2,0,0]=4 694 B9R1.8 NNCC1CCCOC1 Q52421 [0,1,0,1,0,0|2,0,0]=4 695 B9R1.8 NNCC1CCOCC1 L20783 [0,1,0,1,0,0|2,0,0]=4 696 B9R1.8 O=CC=C1CCCCC1 Q59548 [0,1,0,1,0,0|0,0,1]=3 697 B9R1.8 O=CCC1CCCCC1 P34717 [0,1,0,1,0,0|0,0,1]=3 698 B9R1.8 O=CCC1CCCOC1 Q60383 [0,1,0,1,0,0|1,0,0]=3 699 B9R1.8 O=CCC1CCOCC1 O30688 [0,1,0,1,0,0|1,0,0]=3 700 B9R1.8 O=CCN1CCCCC1 P37973 [0,1,0,1,0,0|1,0,0]=3 701 B9R1.8 O=CCN1CCOCC1 P39647 [0,1,0,1,0,0|2,0,0]=4 702 B9R1.8 OCCC1CCCCC1 P44676 [0,1,0,1,0,0|0,0,2]=4 703 B9R1.8 OCCC1CCCCO1 P38380 [0,1,0,1,0,0|1,0,1]=4 704 B9R1.8 OCCC1CCCNC1 P36369 [0,1,0,1,0,0|1,0,1]=4 705 B9R1.8 OCCC1CCNCC1 P45391 [0,1,0,1,0,0|1,0,1]=4 706 B9R1.8 OCCC1CCOCC1 C-3414 [0,1,0,1,0,0|1,0,1]=4 707 B9R1.8 OCCC1CCSCC1 Q56857 [0,1,0,1,0,0|1,0,1]=4 708 B9R1.8 OCC[C@@H]1CCCCN1 O33566 [0,1,0,1,0,0|1,0,1]=4 709 B9R1.8 OCC[C@@H]1CCCCO1 Q53045 [0,1,0,1,0,0|1,0,1]=4 710 B9R1.8 [N-]=[N+]=NC1CCCCC1 P40097 [0,1,0,1,0,0|2,0,0]=4 711 B9R1.12 BrCCCC1CCCC1 P38703 [0,1,0,1,0,0|0,0,2]=4 712 B9R1.12 C#CCCN1CCCC1 P41150 [0,1,0,1,0,0|0,0,2]=4 713 B9R1.12 CCCCN1C=CC=N1 Q67596 [0,1,0,1,0,0|1,0,1]=4 714 B9R1.12 CCCOC1CCNC1 P34911 [0,1,0,1,0,0|1,0,1]=4 715 B9R1.12 CCCO[C@@H]1CCNC1 P35814 [0,1,0,1,0,0|1,0,1]=4 716 B9R1.12 CCCO[C@H]1CCNC1 P35519 [0,1,0,1,0,0|1,0,1]=4 717 B9R1.12 CCNCC1CCNC1 Q61645 [0,1,0,1,0,0|1,0,1]=4 718 B9R1.12 CNCCC1CCCC1 P35273 [0,1,0,1,0,0|0,0,2]=4 719 B9R1.12 CNCCC1CCCC1 P35770 [0,1,0,1,0,0|0,0,2]=4 720 B9R1.12 CNCCN1CCCC1 L19572 [0,1,0,1,0,0|1,0,1]=4 721 B9R1.12 COCCC1CCCN1 G-7743 [0,1,0,1,0,0|1,0,1]=4 722 B9R1.12 ClCCCN1CCCC1 G-7779 [0,1,0,1,0,0|1,0,1]=4 723 B9R1.12 ICCCC1CCCC1 P42787 [0,1,0,1,0,0|0,0,2]=4 724 B9R1.12 N#C\C=C\C1CCCC1 L13509 [0,1,0,1,0,0|0,0,2]=4 725 B9R1.12 NCCCC1CCCC1 O33622 [0,1,0,1,0,0|0,0,2]=4 726 B9R1.12 NCCCC1CCCC1 P37126 [0,1,0,1,0,0|0,0,2]=4 727 B9R1.12 OCCCC1CCCC1 P36172 [0,1,0,1,0,0|0,0,2]=4 728 B9R1.12 OCCC[C@@H]1CCCN1 Q57415 [0,1,0,1,0,0|1,0,1]=4 729 B9R1.12 [N-]=[N+]=NCC1CCCC1 O28175 [0,1,0,1,0,0|2,0,0]=4 730 B9R1.15 C#CC1CCCCC1O P45431 [0,1,0,1,0,0|0,0,2]=4 731 B9R1.15 C#C[C@@H]1CCCC[C@@H]1O P45395 [0,1,0,1,0,0|0,0,2]=4 732 B9R1.15 C#C[C@@H]1CCCC[C@H]1O P45477 [0,1,0,1,0,0|0,0,2]=4 733 B9R1.15 C#C[C@H]1CCCC[C@H]1O P46632 [0,1,0,1,0,0|0,0,2]=4 734 B9R1.15 CC1CCCCC1NN L20777 [0,1,0,1,0,0|1,0,1]=4 735 B9R1.15 CCN1CCNCC1=O A-474 [0,1,0,1,0,0|2,0,0]=4 736 B9R1.15 CN1CCCCC1C=O Q60366 [0,1,0,1,0,0|1,0,0]=3 737 B9R1.15 CN1CCCCC1CN 10196 [0,1,0,1,0,0|1,0,1]=4 738 B9R1.15 CN1CCCC[C@@H]1CN Q61370 [0,1,0,1,0,0|1,0,1]=4 739 B9R1.15 CN1CCCC[C@H]1CN Q61369 [0,1,0,1,0,0|1,0,1]=4 740 B9R1.15 CNC1CCCCC1=O O32079 [0,1,0,1,0,0|1,0,0]=3 741 B9R1.15 CN[C@@H]1CCCC[C@@H]1C P45885 [0,1,0,1,0,0|0,0,2]=4 742 B9R1.15 CN[C@@H]1CNCC[C@@H]1C F-4019 [0,1,0,1,0,0|1,0,1]=4 743 B9R1.15 CN[C@H]1CNCC[C@H]1C F-4018 [0,1,0,1,0,0|1,0,1]=4 744 B9R1.15 COC1CCCCC1=O P44670 [0,1,0,1,0,0|1,0,0]=3 745 B9R1.15 COC1CCCCC1N P45618 [0,1,0,1,0,0|1,0,1]=4 746 B9R1.15 COC1COCCC1=O C-3417 [0,1,0,1,0,0|2,0,0]=4 747 B9R1.15 COC1OCCCC1=O L19674 [0,1,0,1,0,0|2,0,0]=4 748 B9R1.15 CO[C@@H]1CCCC[C@@H]1N P45281 [0,1,0,1,0,0|1,0,1]=4 749 B9R1.15 CO[C@@H]1CCCC[C@@H]1N P48339 [0,1,0,1,0,0|1,0,1]=4 750 B9R1.15 CO[C@@H]1CCCC[C@H]1N P45280 [0,1,0,1,0,0|1,0,1]=4 751 B9R1.15 CO[C@@H]1CCCC[C@H]1N P48092 [0,1,0,1,0,0|1,0,1]=4 752 B9R1.15 CO[C@@H]1COCCC1=O Q55743 [0,1,0,1,0,0|2,0,0]=4 753 B9R1.15 CO[C@H]1CCCC[C@@H]1N P47400 [0,1,0,1,0,0|1,0,1]=4 754 B9R1.15 CO[C@H]1CCCC[C@H]1N P45253 [0,1,0,1,0,0|1,0,1]=4 755 B9R1.15 CO[C@H]1COCCC1=O Q55744 [0,1,0,1,0,0|2,0,0]=4 756 B9R1.15 N#CC1CCCCC1=O P44647 [0,1,0,1,0,0|1,0,1]=4 757 B9R1.15 N#CC1CCCCC1N P45434 [0,1,0,1,0,0|1,0,1]=4 758 B9R1.15 N#C[C@@H]1CCCC[C@@H]1N P45004 [0,1,0,1,0,0|1,0,1]=4 759 B9R1.15 N#C[C@@H]1CCCC[C@H]1N P49755 [0,1,0,1,0,0|1,0,1]=4 760 B9R1.15 N#C[C@@H]1CCCC[C@H]1O P45379 [0,1,0,1,0,0|1,0,1]=4 761 B9R1.15 N#C[C@H]1CCCC[C@@H]1N P46807 [0,1,0,1,0,0|1,0,1]=4 762 B9R1.15 N#C[C@H]1CCCC[C@H]1N P49756 [0,1,0,1,0,0|1,0,1]=4 763 B9R1.15 NC[C@@H]1CCCC[C@H]1O P45462 [0,1,0,1,0,0|1,0,1]=4 764 B9R1.15 NC[C@H]1CCCC[C@H]1N Q59475 [0,1,0,1,0,0|1,0,1]=4 765 B9R1.15 N[C@@H]1CCCC[C@H]1CO P44649 [0,1,0,1,0,0|1,0,1]=4 766 B9R1.15 N[C@@H]1CCCC[C@H]1CO P45460 [0,1,0,1,0,0|1,0,1]=4 767 B9R1.15 N[C@H]1CCCC[C@H]1CO P46191 [0,1,0,1,0,0|1,0,1]=4 768 B9R1.15 O=C1COCCC1CO Q64449 [0,1,0,1,0,0|2,0,0]=4 769 B9R1.15 O=CC1CCCCC1=O P49435 [0,1,0,1,0,0|1,0,1]=4 770 B9R1.22 CCN1CC(O)CC1=O Q59306 [0,1,0,1,0,0|2,0,0]=4 771 B9R1.33 C=CC[C@H]1CNC[C@@H]1O Q61833 [0,1,0,1,0,0|1,0,0]=3 772 B9R1.33 CCC[C@@H]1CNC[C@@H]1O Q62155 [0,1,0,1,0,0|1,0,1]=4 773 B9R1.33 CCC[C@@H]1CNC[C@H]1O Q62154 [0,1,0,1,0,0|1,0,1]=4 774 B9R1.33 CN1CCCC1CCBr Q59209 [0,1,0,1,0,0|1,0,1]=4 775 B9R1.33 CN1CCC[C@@H]1CCN L14303 [0,1,0,1,0,0|1,0,1]=4 776 B9R1.33 CN1CCC[C@@H]1CCN P44362 [0,1,0,1,0,0|1,0,1]=4 777 B9R1.33 CN1CCC[C@@H]1CCO Q54913 [0,1,0,1,0,0|1,0,1]=4 778 B9R1.33 CN1CCC[C@H]1CCN L14623 [0,1,0,1,0,0|1,0,1]=4 779 B9R1.33 CN1CCC[C@H]1CCN Q52448 [0,1,0,1,0,0|1,0,1]=4 780 B9R1.33 CN1CCC[C@H]1CCO Q54914 [0,1,0,1,0,0|1,0,1]=4 781 B9R1.33 CNCC1CCCN1C L18260 [0,1,0,1,0,0|1,0,1]=4 782 B9R1.33 CNCC1CCCN1C Q61641 [0,1,0,1,0,0|1,0,1]=4 783 B9R1.33 COCC1CCCC1=O O31995 [0,1,0,1,0,0|1,0,0]=3 784 B9R1.33 COC[C@@H]1CCCN1N 10743 [0,1,0,1,0,0|2,0,0]=4 785 B9R1.33 NC1CCCC1CCO L19791 [0,1,0,1,0,0|1,0,1]=4 786 B9R1.33 NCCN1CCCC1=O P39375 [0,1,0,1,0,0|2,0,0]=4 787 B9R1.33 O=C1CCCN1CCBr M23139 [0,1,0,1,0,0|2,0,0]=4 788 B9R1.33 O=C1OCCC1CCBr Q69615 [0,1,0,1,0,0|2,0,0]=4 789 B9R1.48 NC1CCCNC(=O)C1 S72677 [0,1,0,1,0,0|2,0,0]=4 790 B9R1.49 CN1CCCC(N)CC1 C-2203 [0,1,0,1,0,0|1,0,1]=4 791 B9R1.58 C(=O)CC1CC(OC)C1 P46586 [0,1,0,1,0,0|2,0,0]=4 792 B9R1.58 CCOC1CC(C=O)C1 P47364 [0,1,0,1,0,0|2,0,0]=4 793 B9R1.69 CC1CCC(=O)C(C)C1 Q59598 [0,1,0,1,0,0|1,0,0]=3 794 B9R1.69 CC1CN(C)CCC1=O Q65019 [0,1,0,1,0,0|2,0,0]=4 795 B9R1.69 CN1CC(N)CCC1=O C-3402 [0,1,0,1,0,0|2,0,0]=4 796 B9R1.69 CN1CCC(N)CC1=O C-2257 [0,1,0,1,0,0|2,0,0]=4 797 B9R1.69 CN1C[C@@H](N)CCC1=O Q64391 [0,1,0,1,0,0|2,0,0]=4 798 B9R1.69 CN1C[C@H](N)CCC1=O Q64392 [0,1,0,1,0,0|2,0,0]=4 799 B9R1.69 C[C@@H]1CC[C@@H](O)CN1C Q56746 [0,1,0,1,0,0|1,0,1]=4 800 B9R1.69 C[C@@H]1CN(C)CCC1=O Q65018 [0,1,0,1,0,0|2,0,0]=4 801 B9R1.69 C[C@@H]1C[C@@H](N)CCN1C P50478 [0,1,0,1,0,0|1,0,1]=4 802 B9R1.69 C[C@@H]1C[C@@H](N)CCN1C Q63684 [0,1,0,1,0,0|1,0,1]=4 803 B9R1.69 C[C@@H]1C[C@H](N)CCN1C Q63683 [0,1,0,1,0,0|1,0,1]=4 804 B9R1.69 C[C@H]1CC[C@@H](N)CN1C Q56723 [0,1,0,1,0,0|1,0,1]=4 805 B9R1.69 C[C@H]1CC[C@H](N)CN1C Q56722 [0,1,0,1,0,0|1,0,1]=4 806 B9R1.69 C[C@H]1CC[C@H](O)CN1C Q56721 [0,1,0,1,0,0|1,0,1]=4 807 B9R1.69 C[C@H]1CN(C)CCC1=O Q65017 [0,1,0,1,0,0|2,0,0]=4 808 B9R1.73 CCCC(N)C1CCC1 P48950 [0,1,0,1,0,0|0,0,2]=4 809 B9R1.117 COCCC1(O)CCC1 P48344 [0,1,0,1,0,0|1,0,1]=4 810 B9R1.117 OCCCC1(F)CCC1 P47833 [0,1,0,1,0,0|1,0,1]=4 811 B9R1.117 OCCCC1(O)CCC1 O33564 [0,1,0,1,0,0|1,0,1]=4 812 B9R1.134 CCCC1(C)CCNC1 Q61655 [0,1,0,1,0,0|1,0,1]=4 813 B9R1.134 CCC[C@]1(C)CCNC1 Q61656 [0,1,0,1,0,0|1,0,1]=4 814 B9R1.134 NCCC1(O)CCCC1 P35729 [0,1,0,1,0,0|1,0,1]=4 815 B9R1.5 CN1CCCNCC1=O G-7681 [0,1,0,1,0,0|2,0,0]=4 816 B9R1.5 CN1CCCNCC1=O O34334 [0,1,0,1,0,0|2,0,0]=4 817 B9R1.5 N[C@@H]1CCCCNC1=O O34511 [0,1,0,1,0,0|2,0,0]=4 818 B9R1.5 N[C@H]1CCCCNC1=O F-4004 [0,1,0,1,0,0|2,0,0]=4 819 B9R1.5 N[C@H]1CCCCNC1=O O34512 [0,1,0,1,0,0|2,0,0]=4 820 B9R1.14 CCN1CCCC1CN I-9237 [0,1,0,1,0,0|1,0,1]=4 821 B9R1.14 CC[C@H]1CNC[C@@H]1CO P50823 [0,1,0,1,0,0|1,0,1]=4 822 B9R1.14 CC[C@H]1CNC[C@@H]1CO Q61583 [0,1,0,1,0,0|1,0,1]=4 823 B9R1.17 CCCCCC1CNC1 P48481 [0,1,0,1,0,0|0,0,2]=4 824 B9R1.17 CCCCCC1CNC1 P48482 [0,1,0,1,0,0|0,0,2]=4 825 B9R1.17 CCCCOC1CNC1 P44423 [0,1,0,1,0,0|1,0,1]=4 826 B9R1.17 NCCOCC1CCC1 P44970 [0,1,0,1,0,0|1,0,1]=4 827 B9R1.17 OCCCCC1COC1 Q54774 [0,1,0,1,0,0|1,0,1]=4 828 B9R1.17 OCCCNC1CCC1 P49147 [0,1,0,1,0,0|1,0,1]=4 829 B9R1.89 COC1CCCNCC1 C-2753 [0,1,0,1,0,0|1,0,1]=4 830 B9R1.89 COC1CCCNCC1 C-2753-1 [0,1,0,1,0,0|1,0,1]=4 831 B9R1.89 N#CC1CCCNCC1 L14395 [0,1,0,1,0,0|1,0,1]=4 832 B9R1.89 OCC1CCCCNC1 I-9580 [0,1,0,1,0,0|1,0,1]=4 833 B9R1.1 C#CC1CCC(N)CC1 P47049 [0,1,0,1,0,0|0,0,2]=4 834 B9R1.1 C#C[C@H]1CC[C@@H](N)CC1 P50490 [0,1,0,1,0,0|0,0,2]=4 835 B9R1.1 C#C[C@H]1CC[C@H](N)CC1 P46268 [0,1,0,1,0,0|0,0,2]=4 836 B9R1.1 C#C[C@H]1CC[C@H](O)CC1 P48697 [0,1,0,1,0,0|0,0,2]=4 837 B9R1.1 CC1CCC(CN)CC1 P38698 [0,1,0,1,0,0|1,0,1]=4 838 B9R1.1 CCC1CCC(Br)CC1 Q59703 [0,1,0,1,0,0|0,0,2]=4 839 B9R1.1 CN1CCC(C=O)CC1 B-1284 [0,1,0,1,0,0|2,0,0]=4 840 B9R1.1 CN1CCC(C=O)CC1 Q60235 [0,1,0,1,0,0|2,0,0]=4 841 B9R1.1 CN[C@H]1CC[C@@H](F)CC1 P45485 [0,1,0,1,0,0|1,0,1]=4 842 B9R1.1 CN[C@H]1CC[C@@H](O)CC1 I-9002 [0,1,0,1,0,0|1,0,1]=4 843 B9R1.1 CN[C@H]1CC[C@@H](O)CC1 P44754 [0,1,0,1,0,0|1,0,1]=4 844 B9R1.1 CN[C@H]1CC[C@H](O)CC1 I-9003 [0,1,0,1,0,0|1,0,1]=4 845 B9R1.1 CN[C@H]1CC[C@H](O)CC1 P44840 [0,1,0,1,0,0|1,0,1]=4 846 B9R1.1 COC1CCC(O)CC1 P40387 [0,1,0,1,0,0|1,0,1]=4 847 B9R1.1 CO[C@H]1CC[C@H](N)CC1 O33520 [0,1,0,1,0,0|1,0,1]=4 848 B9R1.1 CO[C@H]1CC[C@H](N)CC1 P37077 [0,1,0,1,0,0|1,0,1]=4 849 B9R1.1 C[C@H]1CC[C@@H](CBr)CC1 P45176 [0,1,0,1,0,0|1,0,1]=4 850 B9R1.1 C[C@H]1CC[C@@H](CO)CC1 P45661 [0,1,0,1,0,0|1,0,1]=4 851 B9R1.1 N#C[C@H]1CC[C@H](N)CC1 P45006 [0,1,0,1,0,0|1,0,1]=4 852 B9R1.1 NC1CCC(CO)CC1 P44916 [0,1,0,1,0,0|1,0,1]=4 853 B9R1.1 NCC1CCC(F)CC1 P48389 [0,1,0,1,0,0|1,0,1]=4 854 B9R1.1 NCC1CCC(F)CC1 P48983 [0,1,0,1,0,0|1,0,1]=4 855 B9R1.1 NCC1CCC(N)CC1 Q59770 [0,1,0,1,0,0|1,0,1]=4 856 B9R1.1 NCC1CCC(O)CC1 P34700 [0,1,0,1,0,0|1,0,1]=4 857 B9R1.1 NCC1CCC(O)CC1 P47419 [0,1,0,1,0,0|1,0,1]=4 858 B9R1.1 NC[C@H]1CC[C@@H](F)CC1 P47139 [0,1,0,1,0,0|1,0,1]=4 859 B9R1.1 NC[C@H]1CC[C@@H](O)CC1 L21269 [0,1,0,1,0,0|1,0,1]=4 860 B9R1.1 NC[C@H]1CC[C@@H](O)CC1 P45002 [0,1,0,1,0,0|1,0,1]=4 861 B9R1.1 NC[C@H]1CC[C@H](F)CC1 P47115 [0,1,0,1,0,0|1,0,1]=4 862 B9R1.1 NC[C@H]1CC[C@H](O)CC1 I-9344 [0,1,0,1,0,0|1,0,1]=4 863 B9R1.1 NC[C@H]1CC[C@H](O)CC1 Q52032 [0,1,0,1,0,0|1,0,1]=4 864 B9R1.1 N[C@H]1CC[C@@H](CO)CC1 G-6713 [0,1,0,1,0,0|1,0,1]=4 865 B9R1.1 N[C@H]1CC[C@@H](CO)CC1 P44180 [0,1,0,1,0,0|1,0,1]=4 866 B9R1.1 N[C@H]1CC[C@H](CF)CC1 P47760 [0,1,0,1,0,0|1,0,1]=4 867 B9R1.1 N[C@H]1CC[C@H](CO)CC1 G-6714 [0,1,0,1,0,0|1,0,1]=4 868 B9R1.1 N[C@H]1CC[C@H](CO)CC1 P44327 [0,1,0,1,0,0|1,0,1]=4 869 B9R1.1 O=C[C@H]1CC[C@H](F)CC1 S72521 [0,1,0,1,0,0|1,0,0]=3 870 B9R1.1 O=C[C@H]1CC[C@H](O)CC1 P48925 [0,1,0,1,0,0|1,0,0]=3 871 B9R1.1 OCC1CCC(O)CC1 P45738 [0,1,0,1,0,0|1,0,1]=4 872 B9R1.1 OC[C@H]1CC[C@@H](F)CC1 P47182 [0,1,0,1,0,0|1,0,1]=4 873 B9R1.1 OC[C@H]1CC[C@@H](O)CC1 P45690 [0,1,0,1,0,0|1,0,1]=4 874 B9R1.1 OC[C@H]1CC[C@H](F)CC1 P47209 [0,1,0,1,0,0|1,0,1]=4 875 B9R1.1 OC[C@H]1CC[C@H](O)CC1 P45689 [0,1,0,1,0,0|1,0,1]=4 876 B9R1.3 CC1CCCC(=O)C1C Q59611 [0,1,0,1,0,0|1,0,0]=3 877 B9R1.3 CC1CCCC(C)C1N P44629 [0,1,0,1,0,0|1,0,1]=4 878 B9R1.3 CN1CCCC(Br)C1=O Q59933 [0,1,0,1,0,0|2,0,0]=4 879 B9R1.3 CN1CCCC(N)C1=O G-7295 [0,1,0,1,0,0|2,0,0]=4 880 B9R1.3 CN1CCCC(N)C1=O Q56451 [0,1,0,1,0,0|2,0,0]=4 881 B9R1.3 CN1CCC[C@@H](N)C1=O Q63634 [0,1,0,1,0,0|2,0,0]=4 882 B9R1.3 CN1CCC[C@H](N)C1=O P51619 [0,1,0,1,0,0|2,0,0]=4 883 B9R1.3 CN1CCC[C@H](N)C1=O Q63633 [0,1,0,1,0,0|2,0,0]=4 884 B9R1.3 C[C@@H]1[C@H](N)CCCN1C Q64625 [0,1,0,1,0,0|1,0,1]=4 885 B9R1.3 C[C@H]1[C@@H](N)CCCN1C Q64624 [0,1,0,1,0,0|1,0,1]=4 886 B9R1.118 CC1(C=O)CCCCC1 O31789 [0,1,0,1,0,0|1,0,0]=3 887 B9R1.118 CC1(C=O)CCOCC1 H-8874 [0,1,0,1,0,0|2,0,0]=4 888 B9R1.118 CC1(CBr)CCCCC1 Q59533 [0,1,0,1,0,0|1,0,1]=4 889 B9R1.118 CC1(CO)CCCCC1 P41365 [0,1,0,1,0,0|1,0,1]=4 890 B9R1.118 CCC1(N)CCCCC1 Q59746 [0,1,0,1,0,0|0,0,2]=4 891 B9R1.118 CCC1(N)CCCOC1 Q61496 [0,1,0,1,0,0|1,0,1]=4 892 B9R1.118 CCC1(O)CCCOC1 Q61497 [0,1,0,1,0,0|1,0,1]=4 893 B9R1.118 NC1(CO)CCCCC1 P37508 [0,1,0,1,0,0|1,0,1]=4 894 B9R1.118 OC1(CBr)CCCCC1 L20240 [0,1,0,1,0,0|1,0,1]=4 895 B9R1.118 OCC1(F)CCCCC1 P49673 [0,1,0,1,0,0|1,0,1]=4 896 B9R1.132 CCN1CCC(N)C1=O Q59433 [0,1,0,1,0,0|2,0,0]=4 897 B9R1.6 CC(=O)C1CCCCC1 I-9265 [0,1,0,1,0,0|0,0,1]=3 898 B9R1.6 CC(=O)C1CCCCN1 O30407 [0,1,0,1,0,0|1,0,1]=4 899 B9R1.6 CC(=O)C1CCCCN1 O30418 [0,1,0,1,0,0|1,0,1]=4 900 B9R1.6 CC(=O)C1CCCNC1 P35296 [0,1,0,1,0,0|1,0,1]=4 901 B9R1.6 CC(=O)C1CCCOC1 Q57702 [0,1,0,1,0,0|1,0,1]=4 902 B9R1.6 CC(=O)C1CCOCC1 I-9300 [0,1,0,1,0,0|1,0,1]=4 903 B9R1.6 CC(=O)C1CCSCC1 Q57990 [0,1,0,1,0,0|1,0,1]=4 904 B9R1.6 CC(N)C1CCCCC1 M23210 [0,1,0,1,0,0|0,0,2]=4 905 B9R1.6 CC(N)C1CCCCO1 Q57678 [0,1,0,1,0,0|1,0,1]=4 906 B9R1.6 CC(N)C1CCCOC1 Q57833 [0,1,0,1,0,0|1,0,1]=4 907 B9R1.6 CC(N)C1CCCOC1 Q57834 [0,1,0,1,0,0|1,0,1]=4 908 B9R1.6 CC(O)C1CCCCC1 P42370 [0,1,0,1,0,0|0,0,2]=4 909 B9R1.6 C[C@@H](N)C1CCCCO1 Q57872 [0,1,0,1,0,0|1,0,1]=4 910 B9R1.6 C[C@@H](N)C1CCCCO1 Q57873 [0,1,0,1,0,0|1,0,1]=4 911 B9R1.6 C[C@H](N)C1CCCOC1 Q57835 [0,1,0,1,0,0|1,0,1]=4 912 B9R1.6 N=C(N)C1CCOCC1 G-5995 [0,1,0,1,0,0|2,0,0]=4 913 B9R1.6 NC(=O)C1CCCCS1 Q57965 [0,1,0,1,0,0|2,0,0]=4 914 B9R1.6 NC(=O)C1CCNCC1 I-9159 [0,1,0,1,0,0|2,0,0]=4 915 B9R1.6 NC(=O)[C@@H]1CCCNC1 G-5263 [0,1,0,1,0,0|2,0,0]=4 916 B9R1.6 NC(=O)[C@@H]1CCCNC1 P44161 [0,1,0,1,0,0|2,0,0]=4 917 B9R1.6 NC(=O)[C@H]1CCCNC1 G-5264 [0,1,0,1,0,0|2,0,0]=4 918 B9R1.6 NC(=O)[C@H]1CCCNC1 P35476 [0,1,0,1,0,0|2,0,0]=4 919 B9R1.6 NC(=S)C1CCCOC1 Q57656 [0,1,0,1,0,0|2,0,0]=4 920 B9R1.6 O=C(Cl)C1CCOCC1 O30883 [0,1,0,1,0,0|2,0,0]=4 921 B9R1.6 O=C(O)C1CCCCS1 Q57885 [0,1,0,1,0,0|2,0,0]=4 922 B9R1.6 O=C(O)C1CCCNC1 Q68914 [0,1,0,1,0,0|2,0,0]=4 923 B9R1.6 O=C(O)C1CCCNC1 Q68915 [0,1,0,1,0,0|2,0,0]=4 924 B9R1.6 O=C(O)C1CCCOC1 C-3481 [0,1,0,1,0,0|2,0,0]=4 925 B9R1.6 O=C(O)C1CCCSC1 G-5680 [0,1,0,1,0,0|2,0,0]=4 926 B9R1.6 O=C(O)C1CCOCC1 C-3267 [0,1,0,1,0,0|2,0,0]=4 927 B9R1.6 O=C(O)C1CCSCC1 I-9620 [0,1,0,1,0,0|2,0,0]=4 928 B9R1.6 O=C(O)[C@@H]1CCCCO1 L18365 [0,1,0,1,0,0|2,0,0]=4 929 B9R1.6 O=C(O)[C@@H]1CCCOC1 Q63448 [0,1,0,1,0,0|2,0,0]=4 930 B9R1.6 O=C(O)[C@H]1CCCCO1 L21810 [0,1,0,1,0,0|2,0,0]=4 931 B9R1.6 O=C(O)[C@H]1CCCOC1 Q63449 [0,1,0,1,0,0|2,0,0]=4 932 B9R1.13 CC(C)CC1CCNC1 S72560 [0,1,0,1,0,0|1,0,1]=4 933 B9R1.13 CC(O)CC1CCCN1 Q59227 [0,1,0,1,0,0|1,0,1]=4 934 B9R1.13 NC(=O)CC1CCCN1 Q61611 [0,1,0,1,0,0|2,0,0]=4 935 B9R1.13 NC(=O)CC1CCCN1 Q61612 [0,1,0,1,0,0|2,0,0]=4 936 B9R1.13 NC(=O)CC1CCNC1 Q57405 [0,1,0,1,0,0|2,0,0]=4 937 B9R1.13 NC(=O)CC1CCNC1 Q57406 [0,1,0,1,0,0|2,0,0]=4 938 B9R1.13 O=C(Cl)CC1CCCO1 L21210 [0,1,0,1,0,0|2,0,0]=4 939 B9R1.13 O=C(O)CC1CCCN1 P36438 [0,1,0,1,0,0|2,0,0]=4 940 B9R1.13 O=C(O)CC1CCCN1 P51099 [0,1,0,1,0,0|2,0,0]=4 941 B9R1.13 O=C(O)CC1CCNC1 G-6773 [0,1,0,1,0,0|2,0,0]=4 942 B9R1.13 O=C(O)CC1CCNC1 M22656 [0,1,0,1,0,0|2,0,0]=4 943 B9R1.13 O=C(O)CC1CCOC1 A-556 [0,1,0,1,0,0|2,0,0]=4 944 B9R1.13 O=C(O)CN1CCCC1 10114 [0,1,0,1,0,0|2,0,0]=4 945 B9R1.13 O=C(O)C[C@@H]1CCCN1 P37561 [0,1,0,1,0,0|2,0,0]=4 946 B9R1.13 O=C(O)C[C@@H]1CCCN1 Q68982 [0,1,0,1,0,0|2,0,0]=4 947 B9R1.13 O=C(O)C[C@@H]1CCNC1 L21906 [0,1,0,1,0,0|2,0,0]=4 948 B9R1.13 O=C(O)C[C@H]1CCCN1 P38072 [0,1,0,1,0,0|2,0,0]=4 949 B9R1.13 O=C(O)C[C@H]1CCCN1 P51185 [0,1,0,1,0,0|2,0,0]=4 950 B9R1.13 O=C(O)C[C@H]1CCOC1 Q55020 [0,1,0,1,0,0|2,0,0]=4 951 B9R1.13 OB(O)CC1CCCC1 Q68859 [0,1,0,1,0,0|2,0,0]=4 952 B9R1.40 CC1(C)CCCCC1=O P49436 [0,1,0,1,0,0|1,0,0]=3 953 B9R1.40 CC1(C)CNCCC1=O G-7989 [0,1,0,1,0,0|2,0,0]=4 954 B9R1.40 CC1(C)COCCC1=O L13076 [0,1,0,1,0,0|2,0,0]=4 955 B9R1.40 CC1(C)OCCCC1=O Q61432 [0,1,0,1,0,0|2,0,0]=4 956 B9R1.40 CC1(O)CCCCC1N Q59554 [0,1,0,1,0,0|1,0,1]=4 957 B9R1.40 CC1(O)COCCC1=O Q54633 [0,1,0,1,0,0|2,0,0]=4 958 B9R1.40 CC1CCCCC1(C)O Q59744 [0,1,0,1,0,0|0,0,2]=4 959 B9R1.40 O=C1CCCCC1(F)F P44010 [0,1,0,1,0,0|2,0,0]=4 960 B9R1.41 CC1CCNC1C(=O)O Q57359 [0,1,0,1,0,0|2,0,0]=4 961 B9R1.41 CC1CCNC1C(=O)O Q57360 [0,1,0,1,0,0|2,0,0]=4 962 B9R1.41 CC1CNCC1C(=O)O Q59247 [0,1,0,1,0,0|2,0,0]=4 963 B9R1.41 CN1CCCC1C(=O)O M22685 [0,1,0,1,0,0|2,0,0]=4 964 B9R1.41 CN1CCC[C@@H]1C(=O)O P36536 [0,1,0,1,0,0|2,0,0]=4 965 B9R1.41 CN1CCC[C@@H]1C(=O)O P37259 [0,1,0,1,0,0|2,0,0]=4 966 B9R1.41 CN1CCC[C@H]1C(=O)O I-9166 [0,1,0,1,0,0|2,0,0]=4 967 B9R1.41 CN1CCC[C@H]1C(=O)O O28625 [0,1,0,1,0,0|2,0,0]=4 968 B9R1.41 CN1CCC[C@H]1C(=O)O P37937 [0,1,0,1,0,0|2,0,0]=4 969 B9R1.41 C[C@H]1CNC[C@@H]1C(=O)O Q62191 [0,1,0,1,0,0|2,0,0]=4 970 B9R1.41 NC(=O)C1CCCC1N Q59162 [0,1,0,1,0,0|2,0,0]=4 971 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O Q61718 [0,1,0,1,0,0|2,0,0]=4 972 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O H-8160 [0,1,0,1,0,0|2,0,0]=4 973 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O Q61730 [0,1,0,1,0,0|2,0,0]=4 974 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O Q61731 [0,1,0,1,0,0|2,0,0]=4 975 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O H-8161 [0,1,0,1,0,0|2,0,0]=4 976 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O F-4802 [0,1,0,1,0,0|2,0,0]=4 977 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O Q52546 [0,1,0,1,0,0|2,0,0]=4 978 B9R1.41 O=C(O)C1CCCC1O Q59153 [0,1,0,1,0,0|2,0,0]=4 979 B9R1.41 O=C(O)[C@@H]1CCC[C@@H]1F Q63425 [0,1,0,1,0,0|2,0,0]=4 980 B9R1.41 O=C(O)[C@@H]1CCC[C@@H]1O Q63421 [0,1,0,1,0,0|2,0,0]=4 981 B9R1.41 O=C(O)[C@@H]1CCC[C@H]1F Q63426 [0,1,0,1,0,0|2,0,0]=4 982 B9R1.41 O=C(O)[C@@H]1CCC[C@H]1O Q63422 [0,1,0,1,0,0|2,0,0]=4 983 B9R1.41 O=C(O)[C@H]1CCC[C@@H]1F Q63427 [0,1,0,1,0,0|2,0,0]=4 984 B9R1.41 O=C(O)[C@H]1CCC[C@@H]1O Q63423 [0,1,0,1,0,0|2,0,0]=4 985 B9R1.41 O=C(O)[C@H]1CCC[C@H]1F Q63424 [0,1,0,1,0,0|2,0,0]=4 986 B9R1.41 O=C(O)[C@H]1CCC[C@H]1O Q63420 [0,1,0,1,0,0|2,0,0]=4 987 B9R1.67 CC1CCN1CC(=O)O P47040 [0,1,0,1,0,0|2,0,0]=4 988 B9R1.67 CC1CCN1CC(=O)O P47963 [0,1,0,1,0,0|2,0,0]=4 989 B9R1.84 NC(=S)NCC1CCC1 P49815 [0,1,0,1,0,0|2,0,0]=4 990 B9R1.84 O=C(O)CCC1CCC1 P34709 [0,1,0,1,0,0|1,0,0]=3 991 B9R1.84 O=C(O)CCC1CCO1 Q58424 [0,1,0,1,0,0|2,0,0]=4 992 B9R1.84 O=C(O)CNC1CCC1 I-9681 [0,1,0,1,0,0|2,0,0]=4 993 B9R1.84 O=C(O)COC1CCC1 P44175 [0,1,0,1,0,0|2,0,0]=4 994 B9R1.84 O=C([O-])CCC1CCO1 Q57244 [0,1,0,1,0,0|2,0,0]=4 995 B9R1.85 O=C(O)COCC1CC1 P39397 [0,1,0,1,0,0|2,0,0]=4 996 B9R1.86 CCC1CC1CC(=O)O O32172 [0,1,0,1,0,0|1,0,0]=3 997 B9R1.96 CCC1CCC1C(=O)O P47971 [0,1,0,1,0,0|1,0,0]=3 998 B9R1.96 CCC1CN[C@@H]1C(=O)O L21366 [0,1,0,1,0,0|2,0,0]=4 999 B9R1.96 CCN1CCC1C(=O)O P48309 [0,1,0,1,0,0|2,0,0]=4 1000 B9R1.96 CCN1CC[C@H]1C(=O)O L14215 [0,1,0,1,0,0|2,0,0]=4 1001 B9R1.96 CO[C@@H]1CC[C@@H]1C(=O)O P50796 [0,1,0,1,0,0|2,0,0]=4 1002 B9R1.96 CO[C@@H]1CC[C@H]1C(=O)O P48367 [0,1,0,1,0,0|2,0,0]=4 1003 B9R1.96 O=C(O)C1CCC1CF P48305 [0,1,0,1,0,0|2,0,0]=4 1004 B9R2.24 NC1C2CCC1CC2 P45717 [0,0,0,2,0,0|1,0,1]=4 1005 B9R2.24 O=C1C2C=CC1CC2 P45308 [0,0,0,2,0,0|1,0,1]=4 1006 B9R2.24 O=C1C2CCC1CC2 P49961 [0,0,0,2,0,0|1,0,0]=3 1007 B9R2.24 OC1C2C=CC1CC2 P45500 [0,0,0,2,0,0|1,0,0]=3 1008 B9R2.24 OC1C2CCC1CC2 P45884 [0,0,0,2,0,0|1,0,1]=4 1009 B9R2.47 NCC1CC2CC2C1 Q62573 [0,0,0,2,0,0|1,0,1]=4 1010 B9R2.47 O=CC1CC2CC2C1 Q57293 [0,0,0,2,0,0|1,0,0]=3 1011 B9R2.49 C1CC2CCC1CN2 G-7237 [0,0,0,2,0,0|1,0,1]=4 1012 B9R2.49 C1CC2CCC1CN2 I-9790 [0,0,0,2,0,0|1,0,1]=4 1013 B9R2.50 C1CC[C@H]2NC[C@H]2C1 Q58793 [0,0,0,2,0,0|1,0,1]=4 1014 B9R2.53 O=C1C2CNCC1C2 O32961 [0,0,0,2,0,0|2,0,0]=4 1015 B9R2.53 O=C1C2CNCC1C2 P48314 [0,0,0,2,0,0|2,0,0]=4 1016 B9R2.65 C(=O)C1C2CCOC21 Q64152 [0,0,0,2,0,0|2,0,0]=4 1017 B9R2.65 O=C[C@@H]1[C@H]2COC[C@H]21 L13934 [0,0,0,2,0,0|2,0,0]=4 1018 B9R2.68 C1=CC2CCC(C1)N2 L19746 [0,0,0,2,0,0|1,0,0]=3 1019 B9R2.68 C1CC2CCC(C1)N2 G-5152 [0,0,0,2,0,0|1,0,1]=4 1020 B9R2.68 C1CC2CCC(C1)N2 P44257 [0,0,0,2,0,0|1,0,1]=4 1021 B9R2.68 C1CC2CNCC1C2 P45836 [0,0,0,2,0,0|1,0,1]=4 1022 B9R2.68 C1CC2CNCC1C2 P46259 [0,0,0,2,0,0|1,0,1]=4 1023 B9R2.123 NC1C2CCCCC12 P44913 [0,0,0,2,0,0|1,0,1]=4 1024 B9R2.123 NC1C2CCCCC12 Q53099 [0,0,0,2,0,0|1,0,1]=4 1025 B9R2.174 C1CCC2(CC2)NC1 Q65262 [0,0,0,2,0,0|1,0,1]=4 1026 B9R2.174 C1CNCC2(C1)CC2 Q52121 [0,0,0,2,0,0|1,0,1]=4 1027 B9R2.174 C1CNCC2(C1)CC2 Q53924 [0,0,0,2,0,0|1,0,1]=4 1028 B9R2.6 NC12CCCCC1C2 P46405 [0,0,0,2,0,0|1,0,1]=4 1029 B9R2.6 NC12CCCCC1C2 Q65216 [0,0,0,2,0,0|1,0,1]=4 1030 B9R2.19 O=C1CCC2CC1C2 P44051 [0,0,0,2,0,0|1,0,0]=3 1031 B9R2.19 O=C1NCC2CC1C2 K16109 [0,0,0,2,0,0|2,0,0]=4 1032 B9R2.39 BrC1CC2CCC1C2 P45805 [0,0,0,2,0,0|1,0,1]=4 1033 B9R2.39 NC1CC2CCC1C2 P41250 [0,0,0,2,0,0|1,0,1]=4 1034 B9R2.39 NC1CC2CCC1C2 P45140 [0,0,0,2,0,0|1,0,1]=4 1035 B9R2.39 N[C@@H]1C[C@@H]2CC[C@H]1C2 P45110 [0,0,0,2,0,0|1,0,1]=4 1036 B9R2.39 N[C@@H]1C[C@H]2CC[C@@H]1C2 P48888 [0,0,0,2,0,0|1,0,1]=4 1037 B9R2.39 N[C@H]1C[C@@H]2CC[C@H]1C2 P45111 [0,0,0,2,0,0|1,0,1]=4 1038 B9R2.39 N[C@H]1C[C@H]2CC[C@@H]1C2 P44165 [0,0,0,2,0,0|1,0,1]=4 1039 B9R2.39 N[C@H]1C[C@H]2CC[C@@H]1C2 P49356 [0,0,0,2,0,0|1,0,1]=4 1040 B9R2.39 O=C1CC2CC1CN2 P47120 [0,0,0,2,0,0|2,0,0]=4 1041 B9R2.39 O=C1CC2CC1CO2 P49791 [0,0,0,2,0,0|2,0,0]=4 1042 B9R2.39 O=C1CC2CCC1O2 P45436 [0,0,0,2,0,0|2,0,0]=4 1043 B9R2.39 O=C1CC2CNC1C2 P46610 [0,0,0,2,0,0|2,0,0]=4 1044 B9R2.39 O=C1CN2CCC1C2 P44394 [0,0,0,2,0,0|2,0,0]=4 1045 B9R2.39 O=C1C[C@@H]2CC[C@H]1C2 P45557 [0,0,0,2,0,0|1,0,0]=3 1046 B9R2.39 O=C1C[C@@H]2CC[C@H]1C2 Q52554 [0,0,0,2,0,0|1,0,0]=3 1047 B9R2.39 O=C1C[C@H]2C[C@@H]1CN2 P49261 [0,0,0,2,0,0|2,0,0]=4 1048 B9R2.39 O=C1NC2CCC1C2 P45900 [0,0,0,2,0,0|2,0,0]=4 1049 B9R2.39 O=C1OC2CCC1C2 P45453 [0,0,0,2,0,0|2,0,0]=4 1050 B9R2.39 OC1CC2CCC1C2 P47714 [0,0,0,2,0,0|1,0,1]=4 1051 B9R2.39 O[C@H]1C[C@H]2CC[C@@H]1C2 P45404 [0,0,0,2,0,0|1,0,1]=4 1052 B9R2.39 [C@H]12CC[C@H](C1)[C@@H](O)C2 K13497 [0,0,0,2,0,0|1,0,1]=4 1053 B9R2.109 NC1CCCC2CC12 Q63668 [0,0,0,2,0,0|1,0,1]=4 1054 B9R2.109 NC1CCCC2CC12 Q63669 [0,0,0,2,0,0|1,0,1]=4 1055 B9R2.109 N[C@@H]1CCC[C@H]2C[C@H]21 Q63670 [0,0,0,2,0,0|1,0,1]=4 1056 B9R2.109 N[C@H]1CCC[C@H]2C[C@@H]12 Q63671 [0,0,0,2,0,0|1,0,1]=4 1057 B9R2.109 O=C1CCCC2CC12 H-8032 [0,0,0,2,0,0|1,0,0]=3 1058 B9R2.109 O=C1CCCC2OC12 10693 [0,0,0,2,0,0|2,0,0]=4 1059 B9R2.109 O=C1COCC2CC12 Q63936 [0,0,0,2,0,0|2,0,0]=4 1060 B9R2.109 O=C1NCCC2CC12 Q61174 [0,0,0,2,0,0|2,0,0]=4 1061 B9R2.109 OC1CCCC2CC12 Q63664 [0,0,0,2,0,0|1,0,1]=4 1062 B9R2.109 O[C@@H]1CCC[C@@H]2C[C@H]12 Q63667 [0,0,0,2,0,0|1,0,1]=4 1063 B9R2.109 O[C@H]1CCC[C@H]2C[C@@H]12 Q63665 [0,0,0,2,0,0|1,0,1]=4 1064 B9R2.109 O[C@H]1CCC[C@H]2C[C@@H]12 Q63666 [0,0,0,2,0,0|1,0,1]=4 1065 B9R2.2 C1CC(C2CC2)CN1 P51654 [0,0,0,2,0,0|1,0,1]=4 1066 B9R2.3 C1CC2CCNC2C1 Q57326 [0,0,0,2,0,0|1,0,1]=4 1067 B9R2.3 C1CC2CNCC2C1 F-4359 [0,0,0,2,0,0|1,0,1]=4 1068 B9R2.3 [C@H]12CCC[C@H]1CNC2 10022 [0,0,0,2,0,0|1,0,1]=4 1069 B9R2.7 O=C1CC2CNCC12 Q55051 [0,0,0,2,0,0|2,0,0]=4 1070 B9R2.173 C1CC2(C1)CCNC2 G-6679 [0,0,0,2,0,0|1,0,1]=4 1071 B9R2.173 C1CC2(C1)CCNC2 L13064 [0,0,0,2,0,0|1,0,1]=4 1072 B9R2.173 C1CC2(C1)CCNC2 Q62223 [0,0,0,2,0,0|1,0,1]=4 1073 B9R2.173 C1CCC2(C1)CCN2 L14449 [0,0,0,2,0,0|1,0,1]=4 1074 B9R2.173 C1CCC2(C1)CNC2 L13063 [0,0,0,2,0,0|1,0,1]=4 1075 B9R2.173 C1CCC2(C1)CNC2 P36752 [0,0,0,2,0,0|1,0,1]=4 1076 B9R2.173 C1CNC2(C1)CCC2 G-5104 [0,0,0,2,0,0|1,0,1]=4 1077 B9R2.173 C1CNC2(C1)CCC2 Q62225 [0,0,0,2,0,0|1,0,1]=4 1078 B9R2.173 C1CNC2(C1)CCC2 Q62226 [0,0,0,2,0,0|1,0,1]=4 1079 B9R2.21 O=C1CC2CC2CN1 Q53445 [0,0,0,2,0,0|2,0,0]=4 1080 B9R2.21 O=C1CCC2CC2N1 Q53446 [0,0,0,2,0,0|2,0,0]=4 1081 B9R2.52 C1CCC2CC2NC1 Q58075 [0,0,0,2,0,0|1,0,1]=4 1082 B9R2.140 NC1CCC12CCC2 P46484 [0,0,0,2,0,0|1,0,1]=4 1083 B9R2.140 NC1CCC12CCC2 Q62514 [0,0,0,2,0,0|1,0,1]=4 1084 B9R2.140 O=C1CCC12CCC2 Q56022 [0,0,0,2,0,0|1,0,0]=3 1085 B9R2.140 O=C1CCC12CNC2 Q56056 [0,0,0,2,0,0|2,0,0]=4 1086 B9R2.140 O=C1CCC12COC2 Q55990 [0,0,0,2,0,0|2,0,0]=4 1087 B9R2.140 OC1CCC12CCC2 Q54733 [0,0,0,2,0,0|1,0,1]=4 1088 B9R2.5 NC1CCCC12CC2 Q62618 [0,0,0,2,0,0|1,0,1]=4 1089 B9R2.5 O=C1NCCC12CC2 Q52783 [0,0,0,2,0,0|2,0,0]=4 1090 B9R2.5 OC1CCCC12CC2 Q62617 [0,0,0,2,0,0|1,0,1]=4 1091 B9R2.33 O=C1CC2CCC2C1 Q54738 [0,0,0,2,0,0|1,0,0]=3 1092 B9R2.28 OCCC1CC12CC2 Q55580 [0,0,0,2,0,0|1,0,1]=4