0 B7R0.1 BrCCSSCCBr Q69404 [0,0,0,0,0,0|4,0,0]=4 1 B7R0.1 C#CCCCCCI Q66056 [0,0,0,0,0,0|1,0,2]=3 2 B7R0.1 C#CCNCCCN P36031 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.1 C#CCOCCOC P38854 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.1 CCCCNCC#N P38905 [0,0,0,0,0,0|2,0,1]=3 5 B7R0.1 CCCCOCCN P36925 [0,0,0,0,0,0|2,0,0]=2 6 B7R0.1 COCCOCCN P38878 [0,0,0,0,0,0|3,0,0]=3 7 B7R0.1 NCCCOCCO P34738 [0,0,0,0,0,0|2,0,0]=2 8 B7R0.1 O=CCCCCCCl O30105 [0,0,0,0,0,0|1,0,2]=3 9 B7R0.1 [N-]=[N+]=NCCCCN P41887 [0,0,0,0,0,0|4,0,0]=4 10 B7R0.1 [N-]=[N+]=NCCCCO P37488 [0,0,0,0,0,0|3,0,0]=3 11 B6R0.6 BrCCNCCBr M15186 [1,0,0,0,0,0|3,0,0]=4 12 B6R0.6 C#CCCCCI P39398 [1,0,0,0,0,0|1,0,2]=4 13 B6R0.6 C#CCCCCN O31570 [1,0,0,0,0,0|1,0,2]=4 14 B6R0.6 C#CCCCNC L19187 [1,0,0,0,0,0|1,0,2]=4 15 B6R0.6 CNCCCCN L19491 [1,0,0,0,0,0|2,0,0]=3 16 B6R0.6 CNCCCOC P37437 [1,0,0,0,0,0|2,0,0]=3 17 B6R0.6 COCCCCN O29739 [1,0,0,0,0,0|2,0,0]=3 18 B6R0.6 NCCOCCN P39125 [1,0,0,0,0,0|3,0,0]=4 19 B6R0.6 OCCOCCBr P37296 [1,0,0,0,0,0|2,0,0]=3 20 B6R0.6 OCCOCCI P41754 [1,0,0,0,0,0|2,0,0]=3 21 B6R0.6 [N-]=[N+]=NCCCO Q66001 [1,0,0,0,0,0|3,0,0]=4 22 B8R0.1 CCCCN(C)CCO Q66068 [0,1,0,0,0,0|1,0,0]=2 23 B8R0.1 CCCNC(=O)CCN P42190 [0,1,0,0,0,0|2,0,1]=4 24 B8R0.4 C#CCCCCCCI Q66057 [0,1,0,0,0,0|1,0,1]=3 25 B8R0.4 ClCCCOCCCCl M15578 [0,1,0,0,0,0|2,0,0]=3 26 B8R0.4 NCCCCCCCO P40165 [0,1,0,0,0,0|0,0,0]=1 27 B8R0.4 OCCCNCCCO F-4132 [0,1,0,0,0,0|1,0,0]=2 28 B8R0.4 OCCCNCCCO O29405 [0,1,0,0,0,0|1,0,0]=2 29 B8R0.4 OCCCOCCCO P39459 [0,1,0,0,0,0|1,0,0]=2 30 B8R0.4 [N-]=[N+]=NCCCCCN P41116 [0,1,0,0,0,0|3,0,0]=4 31 B8R0.4 [N-]=[N+]=NCCCCCN P41453 [0,1,0,0,0,0|3,0,0]=4 32 B8R0.4 [N-]=[N+]=NCCCCCO P40624 [0,1,0,0,0,0|2,0,0]=3 33 B8R0.4 [N-]=[N+]=NCCOCCO P41419 [0,1,0,0,0,0|3,0,0]=4 34 B8R0.6 COC(=O)CCCCN P38983 [0,1,0,0,0,0|2,0,1]=4 35 B8R0.7 C#CCCCCC(=O)O P38906 [0,1,0,0,0,0|0,0,3]=4 36 B8R0.7 CCNCCCN(C)C G-7104 [0,1,0,0,0,0|3,0,0]=4 37 B8R0.7 CN(C)CCCCCN P38845 [0,1,0,0,0,0|2,0,0]=3 38 B8R0.7 CN(C)CCOCCN P35778 [0,1,0,0,0,0|3,0,0]=4 39 B8R0.7 CNCCCCC(=O)O P35932 [0,1,0,0,0,0|1,0,1]=3 40 B8R0.7 NCCOCCC(=O)O P41214 [0,1,0,0,0,0|2,0,1]=4 41 B8R1.2 BrCC1=CCCCC1 G-7545 [0,0,0,1,0,0|1,0,2]=4 42 B8R1.2 BrCC1CCCNC1 Q55055 [0,0,0,1,0,0|2,0,0]=3 43 B8R1.2 BrCC1CCCOC1 G-6343 [0,0,0,1,0,0|2,0,0]=3 44 B8R1.2 BrCC1CCNCC1 L21509 [0,0,0,1,0,0|2,0,0]=3 45 B8R1.2 BrCC1CCOCC1 G-5150 [0,0,0,1,0,0|2,0,0]=3 46 B8R1.2 BrCC1CCSCC1 O29933 [0,0,0,1,0,0|2,0,0]=3 47 B8R1.2 BrC[C@@H]1CCCNC1 Q55056 [0,0,0,1,0,0|2,0,0]=3 48 B8R1.2 BrC[C@@H]1CCCOC1 Q62734 [0,0,0,1,0,0|2,0,0]=3 49 B8R1.2 BrC[C@H]1CCCNC1 Q55057 [0,0,0,1,0,0|2,0,0]=3 50 B8R1.2 BrC[C@H]1CCCOC1 Q62735 [0,0,0,1,0,0|2,0,0]=3 51 B8R1.2 C#CC1CCCCN1 O30119 [0,0,0,1,0,0|1,0,2]=4 52 B8R1.2 C#CC1CCCCO1 Q62780 [0,0,0,1,0,0|0,0,2]=3 53 B8R1.2 C#CC1CCCNC1 L13025 [0,0,0,1,0,0|2,0,1]=4 54 B8R1.2 C#CC1CCCNC1 Q56306 [0,0,0,1,0,0|2,0,1]=4 55 B8R1.2 C#CC1CCCOC1 Q56322 [0,0,0,1,0,0|2,0,1]=4 56 B8R1.2 C#CC1CCNCC1 I-9267 [0,0,0,1,0,0|2,0,1]=4 57 B8R1.2 C#CC1CCNCC1 Q56307 [0,0,0,1,0,0|2,0,1]=4 58 B8R1.2 C#CC1CCOCC1 C-3588 [0,0,0,1,0,0|2,0,1]=4 59 B8R1.2 C#CC1CCSCC1 O32975 [0,0,0,1,0,0|2,0,1]=4 60 B8R1.2 C#C[C@@H]1CCCCO1 Q62782 [0,0,0,1,0,0|0,0,2]=3 61 B8R1.2 C#C[C@H]1CCCCO1 Q62781 [0,0,0,1,0,0|0,0,2]=3 62 B8R1.2 C=CC1CCOCC1 Q57821 [0,0,0,1,0,0|2,0,1]=4 63 B8R1.2 CCC1CCNCC1 P41021 [0,0,0,1,0,0|2,0,0]=3 64 B8R1.2 CCC1CNCCO1 B-1069 [0,0,0,1,0,0|1,0,0]=2 65 B8R1.2 CCC1COCCN1 B-1066 [0,0,0,1,0,0|2,0,0]=3 66 B8R1.2 CC[C@@H]1CCCCN1 Q54717 [0,0,0,1,0,0|1,0,0]=2 67 B8R1.2 CC[C@@H]1CCCNC1 Q61422 [0,0,0,1,0,0|2,0,0]=3 68 B8R1.2 CC[C@@H]1CNCCO1 B-1071 [0,0,0,1,0,0|1,0,0]=2 69 B8R1.2 CC[C@@H]1COCCN1 B-1064 [0,0,0,1,0,0|2,0,0]=3 70 B8R1.2 CC[C@H]1CCCNC1 Q61421 [0,0,0,1,0,0|2,0,0]=3 71 B8R1.2 CC[C@H]1CNCCO1 B-1070 [0,0,0,1,0,0|1,0,0]=2 72 B8R1.2 CC[C@H]1COCCN1 B-1065 [0,0,0,1,0,0|2,0,0]=3 73 B8R1.2 CNC1CCCNC1 K10899 [0,0,0,1,0,0|3,0,0]=4 74 B8R1.2 CNC1CCCSC1 Q57932 [0,0,0,1,0,0|3,0,0]=4 75 B8R1.2 CNC1CCCSC1 Q57933 [0,0,0,1,0,0|3,0,0]=4 76 B8R1.2 CNC1CCNCC1 L21525 [0,0,0,1,0,0|3,0,0]=4 77 B8R1.2 CNC1CCOCC1 G-5151 [0,0,0,1,0,0|3,0,0]=4 78 B8R1.2 CN[C@@H]1CCCOC1 Q55431 [0,0,0,1,0,0|3,0,0]=4 79 B8R1.2 CN[C@H]1CCCOC1 Q55432 [0,0,0,1,0,0|3,0,0]=4 80 B8R1.2 COC1CCCNC1 C-3504 [0,0,0,1,0,0|3,0,0]=4 81 B8R1.2 COC1CCCNC1 M22805 [0,0,0,1,0,0|3,0,0]=4 82 B8R1.2 COC1CCNCC1 C-2394 [0,0,0,1,0,0|3,0,0]=4 83 B8R1.2 COC1CCNCC1 C-3203 [0,0,0,1,0,0|3,0,0]=4 84 B8R1.2 CO[C@@H]1CCCNC1 G-7538 [0,0,0,1,0,0|3,0,0]=4 85 B8R1.2 CO[C@@H]1CCCNC1 L13637 [0,0,0,1,0,0|3,0,0]=4 86 B8R1.2 CO[C@H]1CCCNC1 G-5239 [0,0,0,1,0,0|3,0,0]=4 87 B8R1.2 CO[C@H]1CCCNC1 L21633 [0,0,0,1,0,0|3,0,0]=4 88 B8R1.2 CSC1CCCNC1 H-8554 [0,0,0,1,0,0|3,0,0]=4 89 B8R1.2 CSC1CCNCC1 C-2200 [0,0,0,1,0,0|3,0,0]=4 90 B8R1.2 ClCC1CCNCC1 L21584 [0,0,0,1,0,0|2,0,0]=3 91 B8R1.2 FCC1CCCCN1 Q52081 [0,0,0,1,0,0|2,0,0]=3 92 B8R1.2 FCC1CCCNC1 M23801 [0,0,0,1,0,0|2,0,0]=3 93 B8R1.2 FCC1CCNCC1 L13946 [0,0,0,1,0,0|2,0,0]=3 94 B8R1.2 FC[C@@H]1CCCCN1 Q52082 [0,0,0,1,0,0|2,0,0]=3 95 B8R1.2 FC[C@@H]1CCCNC1 Q65004 [0,0,0,1,0,0|2,0,0]=3 96 B8R1.2 FC[C@H]1CCCCN1 Q52083 [0,0,0,1,0,0|2,0,0]=3 97 B8R1.2 FC[C@H]1CCCNC1 Q65002 [0,0,0,1,0,0|2,0,0]=3 98 B8R1.2 ICC1CCOCC1 C-3412 [0,0,0,1,0,0|2,0,0]=3 99 B8R1.2 N#CC1CCCCC1 P45205 [0,0,0,1,0,0|1,0,1]=3 100 B8R1.2 N#CC1CCCCN1 A-125 [0,0,0,1,0,0|2,0,1]=4 101 B8R1.2 N#CC1CCCCS1 Q57985 [0,0,0,1,0,0|1,1,1]=4 102 B8R1.2 N#CC1CCCNC1 A-124 [0,0,0,1,0,0|2,0,1]=4 103 B8R1.2 N#CC1CCCNC1 G-5248 [0,0,0,1,0,0|2,0,1]=4 104 B8R1.2 N#CC1CCCOC1 Q54972 [0,0,0,1,0,0|2,0,1]=4 105 B8R1.2 N#CC1CCNCC1 A-123 [0,0,0,1,0,0|2,0,1]=4 106 B8R1.2 N#CC1CCOCC1 C-3419 [0,0,0,1,0,0|2,0,1]=4 107 B8R1.2 N#CC1CCSCC1 L14051 [0,0,0,1,0,0|2,0,1]=4 108 B8R1.2 N#C[C@@H]1CCCCN1 L18519 [0,0,0,1,0,0|2,0,1]=4 109 B8R1.2 N#C[C@@H]1CCCCN1 O33498 [0,0,0,1,0,0|2,0,1]=4 110 B8R1.2 N#C[C@@H]1CCCCN1 Q52040 [0,0,0,1,0,0|2,0,1]=4 111 B8R1.2 N#C[C@@H]1CCCNC1 L14278 [0,0,0,1,0,0|2,0,1]=4 112 B8R1.2 N#C[C@@H]1CCCNC1 P50463 [0,0,0,1,0,0|2,0,1]=4 113 B8R1.2 N#C[C@@H]1CCCNC1 Q65261 [0,0,0,1,0,0|2,0,1]=4 114 B8R1.2 N#C[C@@H]1CNCCO1 F-4344 [0,0,0,1,0,0|2,0,1]=4 115 B8R1.2 N#C[C@H]1CCCCN1 O33248 [0,0,0,1,0,0|2,0,1]=4 116 B8R1.2 N#C[C@H]1CCCCN1 Q52041 [0,0,0,1,0,0|2,0,1]=4 117 B8R1.2 N#C[C@H]1CCCCN1 Q52042 [0,0,0,1,0,0|2,0,1]=4 118 B8R1.2 N#C[C@H]1CCCNC1 L14298 [0,0,0,1,0,0|2,0,1]=4 119 B8R1.2 N#C[C@H]1CCCNC1 Q65260 [0,0,0,1,0,0|2,0,1]=4 120 B8R1.2 NCC1=CCCCC1 P38792 [0,0,0,1,0,0|1,0,2]=4 121 B8R1.2 NCC1CC=CCC1 P39320 [0,0,0,1,0,0|1,0,2]=4 122 B8R1.2 NCC1CCC=CO1 Q65014 [0,0,0,1,0,0|1,0,2]=4 123 B8R1.2 NCC1CCCCS1 Q57980 [0,0,0,1,0,0|1,1,0]=3 124 B8R1.2 NCC1CCCOC1 L21850 [0,0,0,1,0,0|2,0,0]=3 125 B8R1.2 NCC1CCCSC1 Q57994 [0,0,0,1,0,0|2,0,0]=3 126 B8R1.2 NCC1CCOCC1 C-3413 [0,0,0,1,0,0|2,0,0]=3 127 B8R1.2 NCC1CCSCC1 I-9299 [0,0,0,1,0,0|2,0,0]=3 128 B8R1.2 NCC1CCSCC1 O30354 [0,0,0,1,0,0|2,0,0]=3 129 B8R1.2 NCC1CNCCO1 P42498 [0,0,0,1,0,0|2,0,0]=3 130 B8R1.2 NCC1COCCO1 O34357 [0,0,0,1,0,0|2,0,0]=3 131 B8R1.2 NC[C@@H]1CCCCO1 Q62567 [0,0,0,1,0,0|1,0,0]=2 132 B8R1.2 NC[C@@H]1CCCOC1 L18118 [0,0,0,1,0,0|2,0,0]=3 133 B8R1.2 NC[C@@H]1CCCOC1 Q56432 [0,0,0,1,0,0|2,0,0]=3 134 B8R1.2 NC[C@@H]1COCCO1 I-9071 [0,0,0,1,0,0|2,0,0]=3 135 B8R1.2 NC[C@H]1CCC=CO1 Q65015 [0,0,0,1,0,0|1,0,2]=4 136 B8R1.2 NC[C@H]1CCCCO1 Q62568 [0,0,0,1,0,0|1,0,0]=2 137 B8R1.2 NC[C@H]1CCCOC1 L18117 [0,0,0,1,0,0|2,0,0]=3 138 B8R1.2 NC[C@H]1CCCOC1 Q56431 [0,0,0,1,0,0|2,0,0]=3 139 B8R1.2 NC[C@H]1COCCO1 I-9072 [0,0,0,1,0,0|2,0,0]=3 140 B8R1.2 NNC1CCCNC1 O31292 [0,0,0,1,0,0|3,0,0]=4 141 B8R1.2 NNC1CCCNC1 O31297 [0,0,0,1,0,0|3,0,0]=4 142 B8R1.2 NNC1CCCOC1 Q52422 [0,0,0,1,0,0|3,0,0]=4 143 B8R1.2 NNC1CCCOC1 Q52423 [0,0,0,1,0,0|3,0,0]=4 144 B8R1.2 NNC1CCNCC1 O29960 [0,0,0,1,0,0|3,0,0]=4 145 B8R1.2 NNC1CCNCC1 O31367 [0,0,0,1,0,0|3,0,0]=4 146 B8R1.2 NNC1CCNCC1 Q57490 [0,0,0,1,0,0|3,0,0]=4 147 B8R1.2 NNC1CCOCC1 C-3567 [0,0,0,1,0,0|3,0,0]=4 148 B8R1.2 NNC1CCOCC1 O31822 [0,0,0,1,0,0|3,0,0]=4 149 B8R1.2 NNC1CCOCC1 Q62217 [0,0,0,1,0,0|3,0,0]=4 150 B8R1.2 NNC1CCSCC1 O31250 [0,0,0,1,0,0|3,0,0]=4 151 B8R1.2 NOC1CCOCC1 Q57828 [0,0,0,1,0,0|3,0,0]=4 152 B8R1.2 O=CC1CCCCO1 Q60246 [0,0,0,1,0,0|1,0,1]=3 153 B8R1.2 O=CC1CCNCC1 O30562 [0,0,0,1,0,0|1,0,2]=4 154 B8R1.2 O=CC1CCOCC1 C-3265 [0,0,0,1,0,0|1,0,2]=4 155 B8R1.2 O=CC1CCSCC1 O32574 [0,0,0,1,0,0|1,0,2]=4 156 B8R1.2 OCC1=CCCCO1 Q54672 [0,0,0,1,0,0|1,0,2]=4 157 B8R1.2 OCC1=CCOCC1 Q54592 [0,0,0,1,0,0|1,0,2]=4 158 B8R1.2 OCC1CCCCS1 Q57888 [0,0,0,1,0,0|1,0,0]=2 159 B8R1.2 OCC1CCCOC1 F-4498 [0,0,0,1,0,0|1,0,0]=2 160 B8R1.2 OCC1CCCSC1 Q57993 [0,0,0,1,0,0|1,0,0]=2 161 B8R1.2 OCC1CCOCC1 C-3562 [0,0,0,1,0,0|1,0,0]=2 162 B8R1.2 OCC1CCSCC1 O31147 [0,0,0,1,0,0|1,0,0]=2 163 B8R1.2 OCC1CNCCO1 B-1078 [0,0,0,1,0,0|2,0,0]=3 164 B8R1.2 OCC1COCCN1 B-1087 [0,0,0,1,0,0|2,0,0]=3 165 B8R1.2 OCC1COCCO1 K16125 [0,0,0,1,0,0|2,0,0]=3 166 B8R1.2 OC[C@@H]1CCCCN1 M23455 [0,0,0,1,0,0|1,0,0]=2 167 B8R1.2 OC[C@@H]1CCCCO1 F-4789 [0,0,0,1,0,0|1,0,0]=2 168 B8R1.2 OC[C@@H]1CCCNC1 P44488 [0,0,0,1,0,0|1,0,0]=2 169 B8R1.2 OC[C@@H]1CCCOC1 P43927 [0,0,0,1,0,0|1,0,0]=2 170 B8R1.2 OC[C@@H]1CNCCN1 B-1173 [0,0,0,1,0,0|2,0,0]=3 171 B8R1.2 OC[C@@H]1CNCCO1 B-1080 [0,0,0,1,0,0|2,0,0]=3 172 B8R1.2 OC[C@@H]1COCCN1 B-1089 [0,0,0,1,0,0|2,0,0]=3 173 B8R1.2 OC[C@@H]1COCCO1 O34308 [0,0,0,1,0,0|2,0,0]=3 174 B8R1.2 OC[C@H]1CCCCN1 M23615 [0,0,0,1,0,0|1,0,0]=2 175 B8R1.2 OC[C@H]1CCCCO1 P43928 [0,0,0,1,0,0|1,0,0]=2 176 B8R1.2 OC[C@H]1CCCNC1 O31559 [0,0,0,1,0,0|1,0,0]=2 177 B8R1.2 OC[C@H]1CCCNC1 P41232 [0,0,0,1,0,0|1,0,0]=2 178 B8R1.2 OC[C@H]1CCCOC1 P43926 [0,0,0,1,0,0|1,0,0]=2 179 B8R1.2 OC[C@H]1CNCCO1 B-1079 [0,0,0,1,0,0|2,0,0]=3 180 B8R1.2 OC[C@H]1COCCN1 B-1088 [0,0,0,1,0,0|2,0,0]=3 181 B8R1.2 OC[C@H]1COCCO1 O34310 [0,0,0,1,0,0|2,0,0]=3 182 B8R1.5 CC1CCCNC1=O L13669 [0,0,0,1,0,0|1,0,2]=4 183 B8R1.5 CC1CCNCC1=O F-4040 [0,0,0,1,0,0|1,0,2]=4 184 B8R1.5 CC1CCNCC1C Q59916 [0,0,0,1,0,0|2,0,0]=3 185 B8R1.5 CC1CCNCC1F Q59913 [0,0,0,1,0,0|2,0,0]=3 186 B8R1.5 CC1CCNCC1O F-4041 [0,0,0,1,0,0|1,0,0]=2 187 B8R1.5 CC1CCNCC1O G-7991 [0,0,0,1,0,0|1,0,0]=2 188 B8R1.5 CC1CNCCC1=O O34502 [0,0,0,1,0,0|1,0,2]=4 189 B8R1.5 CC1CNCCC1F Q54399 [0,0,0,1,0,0|2,0,0]=3 190 B8R1.5 CC1CNCCC1F Q54400 [0,0,0,1,0,0|2,0,0]=3 191 B8R1.5 CC1CNCCC1O I-9227 [0,0,0,1,0,0|1,0,0]=2 192 B8R1.5 CC1COCCC1=O F-4697 [0,0,0,1,0,0|1,0,2]=4 193 B8R1.5 CC1NCCCC1O Q61133 [0,0,0,1,0,0|1,0,0]=2 194 B8R1.5 C[C@@H]1CCCC[C@@H]1N O34546 [0,0,0,1,0,0|1,0,0]=2 195 B8R1.5 C[C@@H]1CCCC[C@@H]1N P46167 [0,0,0,1,0,0|1,0,0]=2 196 B8R1.5 C[C@@H]1CCCC[C@H]1N P44819 [0,0,0,1,0,0|1,0,0]=2 197 B8R1.5 C[C@@H]1CCCC[C@H]1N P44820 [0,0,0,1,0,0|1,0,0]=2 198 B8R1.5 C[C@@H]1CCCC[C@H]1N P45791 [0,0,0,1,0,0|1,0,0]=2 199 B8R1.5 C[C@@H]1CCCN[C@@H]1C P45337 [0,0,0,1,0,0|2,0,0]=3 200 B8R1.5 C[C@@H]1CCCN[C@@H]1C Q61336 [0,0,0,1,0,0|2,0,0]=3 201 B8R1.5 C[C@@H]1CCNC[C@@H]1O G-6540 [0,0,0,1,0,0|1,0,0]=2 202 B8R1.5 C[C@@H]1CCNC[C@@H]1O Q56504 [0,0,0,1,0,0|1,0,0]=2 203 B8R1.5 C[C@@H]1CCNC[C@H]1O Q56503 [0,0,0,1,0,0|1,0,0]=2 204 B8R1.5 C[C@@H]1CNCCN1C G-7636 [0,0,0,1,0,0|3,0,0]=4 205 B8R1.5 C[C@@H]1CNCCN1C L21507 [0,0,0,1,0,0|3,0,0]=4 206 B8R1.5 C[C@@H]1CNCC[C@@H]1F Q53340 [0,0,0,1,0,0|2,0,0]=3 207 B8R1.5 C[C@@H]1CNCC[C@H]1F Q53341 [0,0,0,1,0,0|2,0,0]=3 208 B8R1.5 C[C@@H]1CNCC[C@H]1O L21732 [0,0,0,1,0,0|1,0,0]=2 209 B8R1.5 C[C@@H]1CNCC[C@H]1O Q65201 [0,0,0,1,0,0|1,0,0]=2 210 B8R1.5 C[C@@H]1COCC[C@@H]1N Q52400 [0,0,0,1,0,0|2,0,0]=3 211 B8R1.5 C[C@@H]1COCC[C@H]1N O33010 [0,0,0,1,0,0|2,0,0]=3 212 B8R1.5 C[C@@H]1COCC[C@H]1N Q56430 [0,0,0,1,0,0|2,0,0]=3 213 B8R1.5 C[C@@H]1NCCC[C@@H]1O Q61250 [0,0,0,1,0,0|1,0,0]=2 214 B8R1.5 C[C@@H]1NCCC[C@H]1O Q61249 [0,0,0,1,0,0|1,0,0]=2 215 B8R1.5 C[C@H]1CCCC[C@@H]1N P45803 [0,0,0,1,0,0|1,0,0]=2 216 B8R1.5 C[C@H]1CCCC[C@@H]1N P49914 [0,0,0,1,0,0|1,0,0]=2 217 B8R1.5 C[C@H]1CCCC[C@H]1N O34572 [0,0,0,1,0,0|1,0,0]=2 218 B8R1.5 C[C@H]1CCCC[C@H]1N P45166 [0,0,0,1,0,0|1,0,0]=2 219 B8R1.5 C[C@H]1CCNC[C@@H]1O G-6539 [0,0,0,1,0,0|1,0,0]=2 220 B8R1.5 C[C@H]1CNCCN1C G-7100 [0,0,0,1,0,0|3,0,0]=4 221 B8R1.5 C[C@H]1CNCCN1C L14176 [0,0,0,1,0,0|3,0,0]=4 222 B8R1.5 C[C@H]1CNCC[C@@H]1O Q65202 [0,0,0,1,0,0|1,0,0]=2 223 B8R1.5 C[C@H]1COCC[C@@H]1N G-7933 [0,0,0,1,0,0|2,0,0]=3 224 B8R1.5 C[C@H]1COCC[C@H]1N G-7268 [0,0,0,1,0,0|2,0,0]=3 225 B8R1.5 C[C@H]1COCC[C@H]1N Q52399 [0,0,0,1,0,0|2,0,0]=3 226 B8R1.5 C[C@H]1NCCC[C@@H]1O Q61135 [0,0,0,1,0,0|1,0,0]=2 227 B8R1.5 C[C@H]1NCCC[C@@H]1O Q61248 [0,0,0,1,0,0|1,0,0]=2 228 B8R1.5 C[C@H]1NCCC[C@H]1O Q61134 [0,0,0,1,0,0|1,0,0]=2 229 B8R1.5 C[C@H]1NCCC[C@H]1O Q61251 [0,0,0,1,0,0|1,0,0]=2 230 B8R1.5 F[C@H]1CCNC[C@@H]1F I-9645 [0,0,0,1,0,0|3,0,0]=4 231 B8R1.5 F[C@H]1CNCC[C@H]1F I-9608 [0,0,0,1,0,0|3,0,0]=4 232 B8R1.5 NC1CCCCC1=O P45934 [0,0,0,1,0,0|1,0,2]=4 233 B8R1.5 NC1CCCCC1F P50555 [0,0,0,1,0,0|2,0,0]=3 234 B8R1.5 NC1COCCC1F Q54881 [0,0,0,1,0,0|3,0,0]=4 235 B8R1.5 N[C@@H]1CCCC[C@@H]1F P48909 [0,0,0,1,0,0|2,0,0]=3 236 B8R1.5 N[C@@H]1CCCC[C@@H]1O P46454 [0,0,0,1,0,0|1,0,0]=2 237 B8R1.5 N[C@@H]1CCCC[C@@H]1O P49846 [0,0,0,1,0,0|1,0,0]=2 238 B8R1.5 N[C@@H]1CCCC[C@H]1F P46966 [0,0,0,1,0,0|2,0,0]=3 239 B8R1.5 N[C@@H]1CCCC[C@H]1F P49016 [0,0,0,1,0,0|2,0,0]=3 240 B8R1.5 N[C@@H]1CCCC[C@H]1N M15638 [0,0,0,1,0,0|2,0,0]=3 241 B8R1.5 N[C@@H]1CCCC[C@H]1O P48754 [0,0,0,1,0,0|1,0,0]=2 242 B8R1.5 N[C@@H]1CCNC[C@@H]1O Q52229 [0,0,0,1,0,0|2,0,0]=3 243 B8R1.5 N[C@@H]1CCNC[C@@H]1O Q52230 [0,0,0,1,0,0|2,0,0]=3 244 B8R1.5 N[C@@H]1CCNC[C@H]1O Q52224 [0,0,0,1,0,0|2,0,0]=3 245 B8R1.5 N[C@@H]1CCNC[C@H]1O Q52225 [0,0,0,1,0,0|2,0,0]=3 246 B8R1.5 N[C@@H]1CCOC[C@@H]1F I-9261 [0,0,0,1,0,0|3,0,0]=4 247 B8R1.5 N[C@@H]1CCOC[C@@H]1F O32994 [0,0,0,1,0,0|3,0,0]=4 248 B8R1.5 N[C@@H]1CCOC[C@@H]1F Q52308 [0,0,0,1,0,0|3,0,0]=4 249 B8R1.5 N[C@@H]1CCOC[C@@H]1O G-6344 [0,0,0,1,0,0|2,0,0]=3 250 B8R1.5 N[C@@H]1CCOC[C@@H]1O G-7927 [0,0,0,1,0,0|2,0,0]=3 251 B8R1.5 N[C@@H]1CCOC[C@@H]1O L13461 [0,0,0,1,0,0|2,0,0]=3 252 B8R1.5 N[C@@H]1CCOC[C@@H]1O Q65031 [0,0,0,1,0,0|2,0,0]=3 253 B8R1.5 N[C@@H]1CCOC[C@H]1F I-9786 [0,0,0,1,0,0|3,0,0]=4 254 B8R1.5 N[C@@H]1CCOC[C@H]1O I-9206 [0,0,0,1,0,0|2,0,0]=3 255 B8R1.5 N[C@@H]1COCC[C@@H]1O L14613 [0,0,0,1,0,0|2,0,0]=3 256 B8R1.5 N[C@@H]1COCC[C@@H]1O Q65030 [0,0,0,1,0,0|2,0,0]=3 257 B8R1.5 N[C@@H]1COCC[C@H]1F Q65046 [0,0,0,1,0,0|3,0,0]=4 258 B8R1.5 N[C@@H]1COCC[C@H]1O G-7504 [0,0,0,1,0,0|2,0,0]=3 259 B8R1.5 N[C@@H]1COCC[C@H]1O L13647 [0,0,0,1,0,0|2,0,0]=3 260 B8R1.5 N[C@H]1CCCC[C@@H]1F P49406 [0,0,0,1,0,0|2,0,0]=3 261 B8R1.5 N[C@H]1CCCC[C@@H]1O P44501 [0,0,0,1,0,0|1,0,0]=2 262 B8R1.5 N[C@H]1CCCC[C@H]1O P45876 [0,0,0,1,0,0|1,0,0]=2 263 B8R1.5 N[C@H]1CCCC[C@H]1O P46705 [0,0,0,1,0,0|1,0,0]=2 264 B8R1.5 N[C@H]1CCNC[C@@H]1O Q52226 [0,0,0,1,0,0|2,0,0]=3 265 B8R1.5 N[C@H]1CCNC[C@H]1O Q52227 [0,0,0,1,0,0|2,0,0]=3 266 B8R1.5 N[C@H]1CCNC[C@H]1O Q52228 [0,0,0,1,0,0|2,0,0]=3 267 B8R1.5 N[C@H]1CCOC[C@@H]1F I-9495 [0,0,0,1,0,0|3,0,0]=4 268 B8R1.5 N[C@H]1CCOC[C@@H]1F I-9780 [0,0,0,1,0,0|3,0,0]=4 269 B8R1.5 N[C@H]1CCOC[C@@H]1O G-7267 [0,0,0,1,0,0|2,0,0]=3 270 B8R1.5 N[C@H]1CCOC[C@@H]1O I-9259 [0,0,0,1,0,0|2,0,0]=3 271 B8R1.5 N[C@H]1CCOC[C@@H]1O Q65027 [0,0,0,1,0,0|2,0,0]=3 272 B8R1.5 N[C@H]1CCOC[C@H]1F O32995 [0,0,0,1,0,0|3,0,0]=4 273 B8R1.5 N[C@H]1CCOC[C@H]1F Q52307 [0,0,0,1,0,0|3,0,0]=4 274 B8R1.5 N[C@H]1CCOC[C@H]1O L18331 [0,0,0,1,0,0|2,0,0]=3 275 B8R1.5 N[C@H]1CCOC[C@H]1O Q65032 [0,0,0,1,0,0|2,0,0]=3 276 B8R1.5 N[C@H]1COCC[C@@H]1O G-5997 [0,0,0,1,0,0|2,0,0]=3 277 B8R1.5 N[C@H]1COCC[C@@H]1O Q56271 [0,0,0,1,0,0|2,0,0]=3 278 B8R1.5 N[C@H]1COCC[C@H]1O Q65029 [0,0,0,1,0,0|2,0,0]=3 279 B8R1.5 O=C1CCCCC1Br L21639 [0,0,0,1,0,0|1,0,2]=4 280 B8R1.5 O=C1CCCCC1F P45307 [0,0,0,1,0,0|1,0,2]=4 281 B8R1.5 O=C1NCCC[C@@H]1O P36280 [0,0,0,1,0,0|2,0,1]=4 282 B8R1.5 O=C1NCCC[C@H]1O P39619 [0,0,0,1,0,0|2,0,1]=4 283 B8R1.5 OC1CCCCC1Br Q59575 [0,0,0,1,0,0|1,0,0]=2 284 B8R1.5 OC1CCOCC1F L14603 [0,0,0,1,0,0|2,0,0]=3 285 B8R1.5 OC1CCOCC1O Q54610 [0,0,0,1,0,0|2,0,0]=3 286 B8R1.5 O[C@@H]1CCNC[C@@H]1F I-9127 [0,0,0,1,0,0|2,0,0]=3 287 B8R1.5 O[C@@H]1CCNC[C@@H]1F Q56264 [0,0,0,1,0,0|2,0,0]=3 288 B8R1.5 O[C@@H]1CCNC[C@H]1F G-6837 [0,0,0,1,0,0|2,0,0]=3 289 B8R1.5 O[C@@H]1CCNC[C@H]1F Q56265 [0,0,0,1,0,0|2,0,0]=3 290 B8R1.5 O[C@@H]1CCOC[C@@H]1F O33072 [0,0,0,1,0,0|2,0,0]=3 291 B8R1.5 O[C@@H]1CCOC[C@H]1F Q64491 [0,0,0,1,0,0|2,0,0]=3 292 B8R1.5 O[C@@H]1CCOC[C@H]1O Q62887 [0,0,0,1,0,0|2,0,0]=3 293 B8R1.5 O[C@@H]1CNCC[C@H]1F G-6836 [0,0,0,1,0,0|2,0,0]=3 294 B8R1.5 O[C@@H]1CNCC[C@H]1F L13235 [0,0,0,1,0,0|2,0,0]=3 295 B8R1.5 O[C@H]1CCNC[C@@H]1F L13157 [0,0,0,1,0,0|2,0,0]=3 296 B8R1.5 O[C@H]1CCNC[C@@H]1O H-8035 [0,0,0,1,0,0|2,0,0]=3 297 B8R1.5 O[C@H]1CCNC[C@@H]1O O33528 [0,0,0,1,0,0|2,0,0]=3 298 B8R1.5 O[C@H]1CCNC[C@H]1F G-5703 [0,0,0,1,0,0|2,0,0]=3 299 B8R1.5 O[C@H]1CCNC[C@H]1F Q52346 [0,0,0,1,0,0|2,0,0]=3 300 B8R1.5 O[C@H]1CCNC[C@H]1O Q59861 [0,0,0,1,0,0|2,0,0]=3 301 B8R1.5 O[C@H]1CCOC[C@@H]1F P48147 [0,0,0,1,0,0|2,0,0]=3 302 B8R1.5 O[C@H]1CCOC[C@@H]1F Q64492 [0,0,0,1,0,0|2,0,0]=3 303 B8R1.5 O[C@H]1CCOC[C@H]1F L22048 [0,0,0,1,0,0|2,0,0]=3 304 B8R1.5 O[C@H]1CCOC[C@H]1F O33074 [0,0,0,1,0,0|2,0,0]=3 305 B8R1.5 O[C@H]1CNCC[C@H]1F Q52403 [0,0,0,1,0,0|2,0,0]=3 306 B8R1.5 O[C@H]1CNCC[C@H]1F Q65042 [0,0,0,1,0,0|2,0,0]=3 307 B8R1.5 O[C@H]1CNCC[C@H]1O G-6972 [0,0,0,1,0,0|2,0,0]=3 308 B8R1.5 O[C@H]1CNCC[C@H]1O Q59948 [0,0,0,1,0,0|2,0,0]=3 309 B8R1.5 [C@@H]1(O)COCC[C@H]1N Q65028 [0,0,0,1,0,0|2,0,0]=3 310 B8R1.8 BrCCC1CCCC1 P40215 [0,0,0,1,0,0|1,0,0]=2 311 B8R1.8 C#CCN1CCCC1 P36421 [0,0,0,1,0,0|2,0,1]=4 312 B8R1.8 CCNC1CCOC1 L13931 [0,0,0,1,0,0|3,0,0]=4 313 B8R1.8 CCOC1CCNC1 P42418 [0,0,0,1,0,0|3,0,0]=4 314 B8R1.8 CCO[C@@H]1CCNC1 L14178 [0,0,0,1,0,0|3,0,0]=4 315 B8R1.8 CCO[C@H]1CCNC1 L14118 [0,0,0,1,0,0|3,0,0]=4 316 B8R1.8 CCO[C@H]1CCNC1 P40747 [0,0,0,1,0,0|3,0,0]=4 317 B8R1.8 CNCC1CCCC1 P38031 [0,0,0,1,0,0|2,0,0]=3 318 B8R1.8 CNCC1CCOC1 L14905 [0,0,0,1,0,0|3,0,0]=4 319 B8R1.8 CNC[C@@H]1CCCN1 P49799 [0,0,0,1,0,0|2,0,0]=3 320 B8R1.8 CNC[C@H]1CCCN1 P45316 [0,0,0,1,0,0|2,0,0]=3 321 B8R1.8 COCC1CCCN1 O28849 [0,0,0,1,0,0|2,0,0]=3 322 B8R1.8 COCC1CCNC1 L18134 [0,0,0,1,0,0|3,0,0]=4 323 B8R1.8 COCC1CCNC1 L18135 [0,0,0,1,0,0|3,0,0]=4 324 B8R1.8 COC[C@@H]1CCCN1 L14013 [0,0,0,1,0,0|2,0,0]=3 325 B8R1.8 COC[C@@H]1CCNC1 L22515 [0,0,0,1,0,0|3,0,0]=4 326 B8R1.8 COC[C@@H]1CCNC1 S72614 [0,0,0,1,0,0|3,0,0]=4 327 B8R1.8 COC[C@H]1CCCN1 P35868 [0,0,0,1,0,0|2,0,0]=3 328 B8R1.8 COC[C@H]1CCNC1 L22047 [0,0,0,1,0,0|3,0,0]=4 329 B8R1.8 CSCC1CCNC1 Q59194 [0,0,0,1,0,0|3,0,0]=4 330 B8R1.8 ICCC1OCCO1 P35885 [0,0,0,1,0,0|2,0,0]=3 331 B8R1.8 N#CCC1CCCC1 P37327 [0,0,0,1,0,0|1,0,1]=3 332 B8R1.8 N#CCN1CCCC1 P51492 [0,0,0,1,0,0|2,0,1]=4 333 B8R1.8 NCCC1CCCC1 P37297 [0,0,0,1,0,0|1,0,0]=2 334 B8R1.8 NNCC1CCCC1 P44364 [0,0,0,1,0,0|2,0,0]=3 335 B8R1.8 NNCC1CCCC1 Q59135 [0,0,0,1,0,0|2,0,0]=3 336 B8R1.8 O=CCC1CCCC1 P37401 [0,0,0,1,0,0|0,0,2]=3 337 B8R1.8 O=CCN1CCCC1 P35023 [0,0,0,1,0,0|1,0,2]=4 338 B8R1.8 OCCC1CCCC1 P36182 [0,0,0,1,0,0|0,0,0]=1 339 B8R1.8 OCCC1CCCN1 G-5919 [0,0,0,1,0,0|1,0,0]=2 340 B8R1.8 OCCC1CCNC1 G-7310 [0,0,0,1,0,0|1,0,0]=2 341 B8R1.8 [N-]=[N+]=NC1CCCC1 P38734 [0,0,0,1,0,0|3,0,0]=4 342 B8R1.10 BrCCOC1CCC1 P49161 [0,0,0,1,0,0|2,0,0]=3 343 B8R1.10 C=CCCN1CCC1 P45309 [0,0,0,1,0,0|2,0,1]=4 344 B8R1.10 CCCNC1CNC1 P48003 [0,0,0,1,0,0|3,0,0]=4 345 B8R1.10 CCCOC1CNC1 O30745 [0,0,0,1,0,0|3,0,0]=4 346 B8R1.10 CCCOC1CNC1 P44923 [0,0,0,1,0,0|3,0,0]=4 347 B8R1.10 CCNCC1CCC1 P45276 [0,0,0,1,0,0|2,0,0]=3 348 B8R1.10 CCNCC1CCC1 P45868 [0,0,0,1,0,0|2,0,0]=3 349 B8R1.10 CCNCC1CNC1 P44880 [0,0,0,1,0,0|3,0,0]=4 350 B8R1.10 CCOCC1CNC1 P44922 [0,0,0,1,0,0|3,0,0]=4 351 B8R1.10 CNCCC1CCC1 P34701 [0,0,0,1,0,0|2,0,0]=3 352 B8R1.10 CNCCN1CCC1 P44758 [0,0,0,1,0,0|3,0,0]=4 353 B8R1.10 COCCC1CNC1 P44773 [0,0,0,1,0,0|3,0,0]=4 354 B8R1.10 COCCC1CNC1 P44774 [0,0,0,1,0,0|3,0,0]=4 355 B8R1.10 FCCOC1CNC1 P48700 [0,0,0,1,0,0|3,0,0]=4 356 B8R1.10 N#CCCC1CNC1 P49391 [0,0,0,1,0,0|2,0,1]=4 357 B8R1.10 N#CCCN1CCC1 P47303 [0,0,0,1,0,0|2,0,1]=4 358 B8R1.10 NCCCC1CCC1 P35867 [0,0,0,1,0,0|1,0,0]=2 359 B8R1.10 NCCCN1CCC1 P45494 [0,0,0,1,0,0|2,0,0]=3 360 B8R1.10 NCCOC1CCC1 L20867 [0,0,0,1,0,0|2,0,0]=3 361 B8R1.10 NCCOC1CCC1 P48638 [0,0,0,1,0,0|2,0,0]=3 362 B8R1.10 O=C=NCC1CCC1 P47945 [0,0,0,1,0,0|1,0,2]=4 363 B8R1.10 O=CCCC1CCC1 P46841 [0,0,0,1,0,0|0,0,2]=3 364 B8R1.10 O=CCCC1CCO1 Q57245 [0,0,0,1,0,0|1,0,1]=3 365 B8R1.10 OCCCC1CNC1 P48483 [0,0,0,1,0,0|1,0,0]=2 366 B8R1.10 OCCCC1COC1 Q54775 [0,0,0,1,0,0|1,0,0]=2 367 B8R1.10 OCCCN1CCC1 P44834 [0,0,0,1,0,0|1,0,0]=2 368 B8R1.10 OCCNC1CCC1 P45739 [0,0,0,1,0,0|1,0,0]=2 369 B8R1.10 OCCNC1CSC1 Q58886 [0,0,0,1,0,0|2,0,0]=3 370 B8R1.10 OCCOC1CCC1 P45345 [0,0,0,1,0,0|1,0,0]=2 371 B8R1.10 OCCOC1CNC1 P48226 [0,0,0,1,0,0|2,0,0]=3 372 B8R1.10 S=C=NCC1CCC1 P49812 [0,0,0,1,0,0|1,1,1]=4 373 B8R1.11 CC1CCCC1CN L20508 [0,0,0,1,0,0|1,0,0]=2 374 B8R1.11 CCC1CNCC1O Q59343 [0,0,0,1,0,0|1,0,0]=2 375 B8R1.11 CC[C@@H]1CNC[C@@H]1F Q56055 [0,0,0,1,0,0|2,0,0]=3 376 B8R1.11 CC[C@@H]1CNC[C@@H]1F Q61812 [0,0,0,1,0,0|2,0,0]=3 377 B8R1.11 CN1CCCC1CN P39264 [0,0,0,1,0,0|2,0,0]=3 378 B8R1.11 CN1CCC[C@@H]1CN C-3654 [0,0,0,1,0,0|2,0,0]=3 379 B8R1.11 CN1CCC[C@@H]1CO P44684 [0,0,0,1,0,0|1,0,0]=2 380 B8R1.11 CN1CCC[C@H]1CN C-3570 [0,0,0,1,0,0|2,0,0]=3 381 B8R1.11 CN[C@@H]1CCC[C@H]1O Q55268 [0,0,0,1,0,0|1,0,0]=2 382 B8R1.11 CN[C@@H]1CCC[C@H]1O Q61729 [0,0,0,1,0,0|1,0,0]=2 383 B8R1.11 COC1CCCC1N Q59137 [0,0,0,1,0,0|2,0,0]=3 384 B8R1.11 COC1CCCC1N Q59138 [0,0,0,1,0,0|2,0,0]=3 385 B8R1.11 CO[C@@H]1CCC[C@@H]1N Q52259 [0,0,0,1,0,0|2,0,0]=3 386 B8R1.11 CO[C@@H]1CCC[C@@H]1N Q52260 [0,0,0,1,0,0|2,0,0]=3 387 B8R1.11 CO[C@@H]1CCC[C@H]1N Q56991 [0,0,0,1,0,0|2,0,0]=3 388 B8R1.11 CO[C@@H]1CCN[C@H]1C Q61887 [0,0,0,1,0,0|3,0,0]=4 389 B8R1.11 CO[C@@H]1CNC[C@@H]1F Q52145 [0,0,0,1,0,0|3,0,0]=4 390 B8R1.11 CO[C@@H]1CNC[C@@H]1F Q63887 [0,0,0,1,0,0|3,0,0]=4 391 B8R1.11 CO[C@@H]1CNC[C@@H]1O L13358 [0,0,0,1,0,0|2,0,0]=3 392 B8R1.11 CO[C@@H]1CNC[C@@H]1O Q52624 [0,0,0,1,0,0|2,0,0]=3 393 B8R1.11 CO[C@@H]1CNC[C@H]1F Q63888 [0,0,0,1,0,0|3,0,0]=4 394 B8R1.11 CO[C@@H]1CNC[C@H]1N Q61621 [0,0,0,1,0,0|3,0,0]=4 395 B8R1.11 CO[C@@H]1CNC[C@H]1O Q52683 [0,0,0,1,0,0|2,0,0]=3 396 B8R1.11 CO[C@@H]1CNC[C@H]1O Q52684 [0,0,0,1,0,0|2,0,0]=3 397 B8R1.11 CO[C@H]1CCC[C@@H]1N Q52257 [0,0,0,1,0,0|2,0,0]=3 398 B8R1.11 CO[C@H]1CCC[C@@H]1N Q56990 [0,0,0,1,0,0|2,0,0]=3 399 B8R1.11 CO[C@H]1CNC[C@@H]1F G-6499 [0,0,0,1,0,0|3,0,0]=4 400 B8R1.11 CO[C@H]1CNC[C@@H]1F Q63889 [0,0,0,1,0,0|3,0,0]=4 401 B8R1.11 CO[C@H]1CNC[C@@H]1N Q61620 [0,0,0,1,0,0|3,0,0]=4 402 B8R1.11 CO[C@H]1CNC[C@@H]1O G-7975 [0,0,0,1,0,0|2,0,0]=3 403 B8R1.11 CO[C@H]1CNC[C@@H]1O Q52681 [0,0,0,1,0,0|2,0,0]=3 404 B8R1.11 CO[C@H]1CNC[C@@H]1O Q52682 [0,0,0,1,0,0|2,0,0]=3 405 B8R1.11 CO[C@H]1CNC[C@@H]1O Q52685 [0,0,0,1,0,0|2,0,0]=3 406 B8R1.11 CO[C@H]1CNC[C@H]1F Q55426 [0,0,0,1,0,0|3,0,0]=4 407 B8R1.11 CO[C@H]1CNC[C@H]1F Q63886 [0,0,0,1,0,0|3,0,0]=4 408 B8R1.11 CO[C@H]1CNC[C@H]1O Q52625 [0,0,0,1,0,0|2,0,0]=3 409 B8R1.11 CO[C@H]1CNC[C@H]1O Q52626 [0,0,0,1,0,0|2,0,0]=3 410 B8R1.11 CSC1CCCC1N Q59163 [0,0,0,1,0,0|2,0,0]=3 411 B8R1.11 C[C@@H]1NCC[C@@H]1CO Q62184 [0,0,0,1,0,0|1,0,0]=2 412 B8R1.11 C[C@H]1CNC[C@@H]1CO O33112 [0,0,0,1,0,0|1,0,0]=2 413 B8R1.11 C[C@H]1CNC[C@@H]1CO Q61714 [0,0,0,1,0,0|1,0,0]=2 414 B8R1.11 C[C@H]1CNC[C@@H]1CO S72706 [0,0,0,1,0,0|1,0,0]=2 415 B8R1.11 N#CC1CCCC1N Q54475 [0,0,0,1,0,0|2,0,1]=4 416 B8R1.11 N#C[C@@H]1CCC[C@@H]1N F-4843 [0,0,0,1,0,0|2,0,1]=4 417 B8R1.11 N#C[C@@H]1CCC[C@@H]1N G-7844 [0,0,0,1,0,0|2,0,1]=4 418 B8R1.11 N#C[C@@H]1CCC[C@@H]1N P50522 [0,0,0,1,0,0|2,0,1]=4 419 B8R1.11 N#C[C@@H]1CCC[C@@H]1N Q52161 [0,0,0,1,0,0|2,0,1]=4 420 B8R1.11 N#C[C@@H]1CCC[C@H]1O Q52678 [0,0,0,1,0,0|1,0,1]=3 421 B8R1.11 N#C[C@H]1CCC[C@H]1N L13306 [0,0,0,1,0,0|2,0,1]=4 422 B8R1.11 N#C[C@H]1CCC[C@H]1N Q52845 [0,0,0,1,0,0|2,0,1]=4 423 B8R1.11 N#C[C@H]1CCC[C@H]1N Q52846 [0,0,0,1,0,0|2,0,1]=4 424 B8R1.11 N#C[C@H]1NCC[C@@H]1O Q64934 [0,0,0,1,0,0|2,0,1]=4 425 B8R1.11 NCC1CCCC1N Q59144 [0,0,0,1,0,0|2,0,0]=3 426 B8R1.11 NCC1CCCC1O Q59145 [0,0,0,1,0,0|1,0,0]=2 427 B8R1.11 NC[C@@H]1CCC[C@H]1O Q52811 [0,0,0,1,0,0|1,0,0]=2 428 B8R1.11 NC[C@@H]1COC[C@@H]1O I-9678 [0,0,0,1,0,0|2,0,0]=3 429 B8R1.11 NC[C@H]1CCC[C@@H]1O Q52812 [0,0,0,1,0,0|1,0,0]=2 430 B8R1.11 NC[C@H]1COC[C@@H]1O I-9779 [0,0,0,1,0,0|2,0,0]=3 431 B8R1.11 O=C1NCCC1CO L13115 [0,0,0,1,0,0|2,0,1]=4 432 B8R1.11 OCC1NCCC1F Q59328 [0,0,0,1,0,0|2,0,0]=3 433 B8R1.11 OC[C@@H]1CC=C[C@@H]1O Q55742 [0,0,0,1,0,0|1,0,2]=4 434 B8R1.11 OC[C@H]1NCC[C@@H]1O S72491 [0,0,0,1,0,0|2,0,0]=3 435 B8R1.12 COC1CCC1CN P44996 [0,0,0,1,0,0|2,0,0]=3 436 B8R1.12 COC1CCC1CO P50853 [0,0,0,1,0,0|1,0,0]=2 437 B8R1.12 CO[C@@H]1CC[C@@H]1CO P50822 [0,0,0,1,0,0|1,0,0]=2 438 B8R1.12 CO[C@@H]1CC[C@H]1CO P50819 [0,0,0,1,0,0|1,0,0]=2 439 B8R1.12 NCC1CCC1CF P48302 [0,0,0,1,0,0|2,0,0]=3 440 B8R1.12 OCC1CCC1CO P45532 [0,0,0,1,0,0|1,0,0]=2 441 B8R1.13 CNCC1CCC1F P47231 [0,0,0,1,0,0|2,0,0]=3 442 B8R1.13 COCC1CCC1N P47021 [0,0,0,1,0,0|2,0,0]=3 443 B8R1.13 COCC1CCC1N P47931 [0,0,0,1,0,0|2,0,0]=3 444 B8R1.13 COC[C@H]1CC[C@@H]1N P46988 [0,0,0,1,0,0|2,0,0]=3 445 B8R1.13 COC[C@H]1CC[C@@H]1N P46994 [0,0,0,1,0,0|2,0,0]=3 446 B8R1.13 COC[C@H]1CC[C@H]1N P46962 [0,0,0,1,0,0|2,0,0]=3 447 B8R1.13 COC[C@H]1CC[C@H]1N P46995 [0,0,0,1,0,0|2,0,0]=3 448 B8R1.22 BrC1CCCCCC1 P39447 [0,0,0,1,0,0|1,0,0]=2 449 B8R1.22 CC1CCNCCN1 L14127 [0,0,0,1,0,0|2,0,0]=3 450 B8R1.22 FC1CCCNCC1 L18431 [0,0,0,1,0,0|2,0,0]=3 451 B8R1.22 O=C1CCCNCC1 A-576 [0,0,0,1,0,0|1,0,2]=4 452 B8R1.22 OC1CNCCNC1 P46534 [0,0,0,1,0,0|2,0,0]=3 453 B8R1.36 NCCNCC1CC1 P49859 [0,0,0,1,0,0|2,0,0]=3 454 B5R0.2 C#CCCCO P37563 [2,0,0,0,0,0|0,0,2]=4 455 B5R0.2 CCNCCCl L21040 [2,0,0,0,0,0|2,0,0]=4 456 B5R0.2 CNCCSC M23087 [2,0,0,0,0,0|2,0,0]=4 457 B5R0.2 CSCCCN P39434 [2,0,0,0,0,0|2,0,0]=4 458 B5R0.2 NCCCCS L19142 [2,0,0,0,0,0|1,1,0]=4 459 B7R0.3 CCCC[C@@H](N)CO P35979 [1,1,0,0,0,0|0,0,0]=2 460 B7R0.3 CCCC[C@H](N)CO P35978 [1,1,0,0,0,0|0,0,0]=2 461 B7R0.3 CCOCC(O)CN L19068 [1,1,0,0,0,0|2,0,0]=4 462 B7R0.3 CSCCC(N)CO P37819 [1,1,0,0,0,0|1,0,0]=3 463 B7R0.4 COCCCC(=O)O P39031 [1,1,0,0,0,0|1,0,1]=4 464 B7R0.7 CCCN(C)CCO Q66069 [1,1,0,0,0,0|1,0,0]=3 465 B9R0.4 CSCC[C@@H](N)CC(=O)O Q68976 [0,2,0,0,0,0|1,0,1]=4 466 B9R0.4 CSCC[C@@H](N)CC(=O)O Q68979 [0,2,0,0,0,0|1,0,1]=4 467 B9R0.4 CSCC[C@H](N)CC(=O)O Q69001 [0,2,0,0,0,0|1,0,1]=4 468 B9R0.5 CCCCCC(O)CCO O28430 [0,2,0,0,0,0|0,0,0]=2 469 B9R0.5 CCCCCN(C)CCO Q66064 [0,2,0,0,0,0|0,0,0]=2 470 B9R0.18 CCCCC(N)CCCC M15282 [0,2,0,0,0,0|1,0,0]=3 471 B9R0.2 CCCCCCCB(O)O N24230 [0,2,0,0,0,0|0,0,0]=2 472 B9R0.2 CNCCCCCC(=O)O P42203 [0,2,0,0,0,0|0,0,1]=3 473 B9R0.2 COCCOCCC(=O)O P41094 [0,2,0,0,0,0|1,0,1]=4 474 B9R0.2 O=C(O)CCCCCCBr P38930 [0,2,0,0,0,0|0,0,1]=3 475 B9R0.45 C#CCCCCCCCI Q66055 [0,2,0,0,0,0|1,0,0]=3 476 B9R0.45 C#CCOCCOCCO O29925 [0,2,0,0,0,0|0,0,2]=4 477 B9R0.45 COCCNCCCCO Q69506 [0,2,0,0,0,0|0,0,0]=2 478 B9R0.45 NCCCCCCCCO P40196 [0,2,0,0,0,0|0,0,0]=2 479 B9R0.45 NCCOCCOCCO P36924 [0,2,0,0,0,0|1,0,0]=3 480 B9R0.45 OCCOCCOCCBr P37295 [0,2,0,0,0,0|1,0,0]=3 481 B9R0.45 OCCOCCOCCI P36988 [0,2,0,0,0,0|1,0,0]=3 482 B9R0.45 [N-]=[N+]=NCCCCCCN L19181 [0,2,0,0,0,0|2,0,0]=4 483 B9R0.45 [N-]=[N+]=NCCCCCCN P41405 [0,2,0,0,0,0|2,0,0]=4 484 B9R0.45 [N-]=[N+]=NCCCCCCO P41187 [0,2,0,0,0,0|1,0,0]=3 485 B9R0.47 CCCCCC(N)C(=O)O P42626 [0,2,0,0,0,0|0,0,1]=3 486 B9R0.47 CCCCC[C@@H](N)C(=O)O P38033 [0,2,0,0,0,0|0,0,1]=3 487 B9R0.47 CCCCC[C@H](N)C(=O)O P38032 [0,2,0,0,0,0|0,0,1]=3 488 B9R0.47 N[C@@H](CCCCO)C(=O)O P37153 [0,2,0,0,0,0|1,0,1]=4 489 B9R0.50 CCN(CC)CCCCN P39133 [0,2,0,0,0,0|2,0,0]=4 490 B9R0.38 CCCCCCS(N)(=O)=O Q66039 [0,2,0,0,0,0|1,0,1]=4 491 B9R0.55 CN(C)CCCCC(=O)O P35297 [0,2,0,0,0,0|1,0,1]=4 492 B7R1.1 BrCC1CCOC1 C-3388 [1,0,0,1,0,0|2,0,0]=4 493 B7R1.1 CC[C@@H]1CCNC1 L14526 [1,0,0,1,0,0|1,0,0]=3 494 B7R1.1 CC[C@H]1CCNC1 L14527 [1,0,0,1,0,0|1,0,0]=3 495 B7R1.1 CNC1CCCC1 P36274 [1,0,0,1,0,0|1,0,0]=3 496 B7R1.1 CNC1CCNC1 P41664 [1,0,0,1,0,0|2,0,0]=4 497 B7R1.1 CNC1CCOC1 I-9659 [1,0,0,1,0,0|2,0,0]=4 498 B7R1.1 CN[C@@H]1CCNC1 P41422 [1,0,0,1,0,0|2,0,0]=4 499 B7R1.1 CN[C@@H]1CCOC1 L13930 [1,0,0,1,0,0|2,0,0]=4 500 B7R1.1 CN[C@H]1CCNC1 P41423 [1,0,0,1,0,0|2,0,0]=4 501 B7R1.1 CN[C@H]1CCOC1 L13929 [1,0,0,1,0,0|2,0,0]=4 502 B7R1.1 COC1CCNC1 C-2248 [1,0,0,1,0,0|2,0,0]=4 503 B7R1.1 CO[C@@H]1CCNC1 C-2249 [1,0,0,1,0,0|2,0,0]=4 504 B7R1.1 CO[C@H]1CCNC1 C-2250 [1,0,0,1,0,0|2,0,0]=4 505 B7R1.1 CSC1CCNC1 L20011 [1,0,0,1,0,0|2,0,0]=4 506 B7R1.1 CS[C@@H]1CCNC1 Q52106 [1,0,0,1,0,0|2,0,0]=4 507 B7R1.1 CS[C@H]1CCNC1 Q52105 [1,0,0,1,0,0|2,0,0]=4 508 B7R1.1 FCC1CCCN1 Q52409 [1,0,0,1,0,0|2,0,0]=4 509 B7R1.1 FCC1CCNC1 L20341 [1,0,0,1,0,0|2,0,0]=4 510 B7R1.1 FC[C@@H]1CCCN1 G-5688 [1,0,0,1,0,0|2,0,0]=4 511 B7R1.1 FC[C@@H]1CCCN1 Q61799 [1,0,0,1,0,0|2,0,0]=4 512 B7R1.1 FC[C@@H]1CCNC1 P48130 [1,0,0,1,0,0|2,0,0]=4 513 B7R1.1 FC[C@@H]1CCNC1 Q61807 [1,0,0,1,0,0|2,0,0]=4 514 B7R1.1 FC[C@H]1CCCN1 I-9901 [1,0,0,1,0,0|2,0,0]=4 515 B7R1.1 FC[C@H]1CCCN1 Q51944 [1,0,0,1,0,0|2,0,0]=4 516 B7R1.1 FC[C@H]1CCNC1 P50376 [1,0,0,1,0,0|2,0,0]=4 517 B7R1.1 FC[C@H]1CCNC1 Q61806 [1,0,0,1,0,0|2,0,0]=4 518 B7R1.1 ICC1CCCC1 P39098 [1,0,0,1,0,0|1,0,0]=3 519 B7R1.1 ICC1CCOC1 I-9304 [1,0,0,1,0,0|2,0,0]=4 520 B7R1.1 NCC1CCCC1 F-4714 [1,0,0,1,0,0|1,0,0]=3 521 B7R1.1 NCC1CCCC1 L14012 [1,0,0,1,0,0|1,0,0]=3 522 B7R1.1 NCC1CCCN1 P37060 [1,0,0,1,0,0|2,0,0]=4 523 B7R1.1 NCC1CCOC1 C-3659 [1,0,0,1,0,0|2,0,0]=4 524 B7R1.1 NCC1CCOC1 G-6767 [1,0,0,1,0,0|2,0,0]=4 525 B7R1.1 NC[C@@H]1CCCN1 G-5891 [1,0,0,1,0,0|2,0,0]=4 526 B7R1.1 NC[C@@H]1CCOC1 C-2790 [1,0,0,1,0,0|2,0,0]=4 527 B7R1.1 NC[C@@H]1CCOC1 G-5015 [1,0,0,1,0,0|2,0,0]=4 528 B7R1.1 NC[C@H]1CCCN1 P42386 [1,0,0,1,0,0|2,0,0]=4 529 B7R1.1 NC[C@H]1CCNC1 Q55433 [1,0,0,1,0,0|2,0,0]=4 530 B7R1.1 NC[C@H]1CCOC1 C-2789 [1,0,0,1,0,0|2,0,0]=4 531 B7R1.1 NC[C@H]1CCOC1 G-5014 [1,0,0,1,0,0|2,0,0]=4 532 B7R1.1 NNC1CCCC1 O31761 [1,0,0,1,0,0|2,0,0]=4 533 B7R1.1 OCC1CC=CC1 G-6600 [1,0,0,1,0,0|0,0,2]=4 534 B7R1.1 OCC1CCNC1 C-2924 [1,0,0,1,0,0|1,0,0]=3 535 B7R1.1 OCC1CCNC1 L13610 [1,0,0,1,0,0|1,0,0]=3 536 B7R1.1 OCC1CCOC1 C-3387 [1,0,0,1,0,0|1,0,0]=3 537 B7R1.1 OCC1OCCO1 O33317 [1,0,0,1,0,0|2,0,0]=4 538 B7R1.1 OC[C@@H]1CCCO1 O32723 [1,0,0,1,0,0|1,0,0]=3 539 B7R1.1 OC[C@@H]1CCNC1 G-6083 [1,0,0,1,0,0|1,0,0]=3 540 B7R1.1 OC[C@@H]1CCNC1 L13662 [1,0,0,1,0,0|1,0,0]=3 541 B7R1.1 OC[C@@H]1CCOC1 C-2787 [1,0,0,1,0,0|1,0,0]=3 542 B7R1.1 OC[C@H]1CCNC1 G-6082 [1,0,0,1,0,0|1,0,0]=3 543 B7R1.1 OC[C@H]1CCNC1 L14041 [1,0,0,1,0,0|1,0,0]=3 544 B7R1.1 OC[C@H]1CCOC1 C-2788 [1,0,0,1,0,0|1,0,0]=3 545 B7R1.3 BrC1CCCNC1 H-8368 [1,0,0,1,0,0|2,0,0]=4 546 B7R1.3 BrC1CCCOC1 O33555 [1,0,0,1,0,0|2,0,0]=4 547 B7R1.3 BrC1CCOCC1 C-3420 [1,0,0,1,0,0|2,0,0]=4 548 B7R1.3 CC1CNCCO1 B-1061 [1,0,0,1,0,0|1,0,0]=3 549 B7R1.3 CC1CNCCO1 B-1061-1 [1,0,0,1,0,0|1,0,0]=3 550 B7R1.3 CC1COCCN1 B-1060 [1,0,0,1,0,0|2,0,0]=4 551 B7R1.3 CC1COCCN1 O28936 [1,0,0,1,0,0|2,0,0]=4 552 B7R1.3 C[C@@H]1CCCCN1 P40572 [1,0,0,1,0,0|1,0,0]=3 553 B7R1.3 C[C@@H]1CCCNC1 Q55825 [1,0,0,1,0,0|1,0,0]=3 554 B7R1.3 C[C@@H]1CNCCO1 B-1063 [1,0,0,1,0,0|1,0,0]=3 555 B7R1.3 C[C@@H]1CNCCO1 B-1063-1 [1,0,0,1,0,0|1,0,0]=3 556 B7R1.3 C[C@@H]1COCCN1 B-1058 [1,0,0,1,0,0|2,0,0]=4 557 B7R1.3 C[C@@H]1COCCN1 P34848 [1,0,0,1,0,0|2,0,0]=4 558 B7R1.3 C[C@H]1CCCCN1 P38855 [1,0,0,1,0,0|1,0,0]=3 559 B7R1.3 C[C@H]1CCCCN1 Q54716 [1,0,0,1,0,0|1,0,0]=3 560 B7R1.3 C[C@H]1CCCNC1 Q55824 [1,0,0,1,0,0|1,0,0]=3 561 B7R1.3 C[C@H]1CNCCO1 B-1062 [1,0,0,1,0,0|1,0,0]=3 562 B7R1.3 C[C@H]1CNCCO1 B-1062-1 [1,0,0,1,0,0|1,0,0]=3 563 B7R1.3 C[C@H]1COCCN1 B-1059 [1,0,0,1,0,0|2,0,0]=4 564 B7R1.3 C[C@H]1COCCN1 P42980 [1,0,0,1,0,0|2,0,0]=4 565 B7R1.3 ClC1CCCOC1 Q57646 [1,0,0,1,0,0|2,0,0]=4 566 B7R1.3 FC1CCCNC1 C-2254 [1,0,0,1,0,0|2,0,0]=4 567 B7R1.3 F[C@@H]1CCCNC1 G-5231 [1,0,0,1,0,0|2,0,0]=4 568 B7R1.3 F[C@H]1CCCNC1 C-2765 [1,0,0,1,0,0|2,0,0]=4 569 B7R1.3 IC1CCOCC1 C-3266 [1,0,0,1,0,0|2,0,0]=4 570 B7R1.3 NC1CCCOC1 I-9177 [1,0,0,1,0,0|2,0,0]=4 571 B7R1.3 NC1CCCOC1 Q56350 [1,0,0,1,0,0|2,0,0]=4 572 B7R1.3 NC1CCOCC1 B-1768 [1,0,0,1,0,0|2,0,0]=4 573 B7R1.3 NC1CCOCC1 G-5110 [1,0,0,1,0,0|2,0,0]=4 574 B7R1.3 NC1CCSCC1 O33298 [1,0,0,1,0,0|2,0,0]=4 575 B7R1.3 N[C@@H]1CCCNC1 I-9160 [1,0,0,1,0,0|2,0,0]=4 576 B7R1.3 N[C@@H]1CCCOC1 I-9746 [1,0,0,1,0,0|2,0,0]=4 577 B7R1.3 OC1CCCOC1 G-6220 [1,0,0,1,0,0|1,0,0]=3 578 B7R1.3 OC1CCNCC1 Q52555 [1,0,0,1,0,0|1,0,0]=3 579 B7R1.3 OC1CCOCC1 B-1769 [1,0,0,1,0,0|1,0,0]=3 580 B7R1.3 OC1CCSCC1 Q69934 [1,0,0,1,0,0|1,0,0]=3 581 B7R1.3 O[C@@H]1CCCNC1 K12060 [1,0,0,1,0,0|1,0,0]=3 582 B7R1.3 O[C@@H]1CCCOC1 P44487 [1,0,0,1,0,0|1,0,0]=3 583 B7R1.3 O[C@H]1CCCNC1 K12075 [1,0,0,1,0,0|1,0,0]=3 584 B7R1.3 O[C@H]1CCCNC1 L13549 [1,0,0,1,0,0|1,0,0]=3 585 B7R1.3 O[C@H]1CCCOC1 P51230 [1,0,0,1,0,0|1,0,0]=3 586 B7R1.3 SC1CCCNC1 L21541 [1,0,0,1,0,0|1,1,0]=4 587 B7R1.3 SC1CCCOC1 Q57701 [1,0,0,1,0,0|1,1,0]=4 588 B7R1.3 SC1CCNCC1 I-9049 [1,0,0,1,0,0|1,1,0]=4 589 B7R1.4 CC1CCNC1C Q61659 [1,0,0,1,0,0|1,0,0]=3 590 B7R1.4 CC1CNCC1C O33388 [1,0,0,1,0,0|1,0,0]=3 591 B7R1.4 CC1CNCC1F Q54416 [1,0,0,1,0,0|2,0,0]=4 592 B7R1.4 CC1CNCC1O Q59312 [1,0,0,1,0,0|1,0,0]=3 593 B7R1.4 C[C@@H]1CCC[C@@H]1N Q53279 [1,0,0,1,0,0|1,0,0]=3 594 B7R1.4 C[C@@H]1CCC[C@@H]1N Q53280 [1,0,0,1,0,0|1,0,0]=3 595 B7R1.4 C[C@@H]1CNC[C@@H]1F Q56053 [1,0,0,1,0,0|2,0,0]=4 596 B7R1.4 C[C@@H]1CNC[C@@H]1F Q56054 [1,0,0,1,0,0|2,0,0]=4 597 B7R1.4 C[C@@H]1CNC[C@@H]1N Q61701 [1,0,0,1,0,0|2,0,0]=4 598 B7R1.4 C[C@@H]1CNC[C@@H]1N Q61702 [1,0,0,1,0,0|2,0,0]=4 599 B7R1.4 C[C@@H]1CNC[C@@H]1O L22286 [1,0,0,1,0,0|1,0,0]=3 600 B7R1.4 C[C@@H]1CNC[C@@H]1O Q55495 [1,0,0,1,0,0|1,0,0]=3 601 B7R1.4 C[C@@H]1CNC[C@H]1O L22285 [1,0,0,1,0,0|1,0,0]=3 602 B7R1.4 C[C@@H]1CNC[C@H]1O Q55494 [1,0,0,1,0,0|1,0,0]=3 603 B7R1.4 C[C@@H]1COC[C@H]1N F-4262 [1,0,0,1,0,0|2,0,0]=4 604 B7R1.4 C[C@@H]1NCC[C@@H]1O Q64145 [1,0,0,1,0,0|1,0,0]=3 605 B7R1.4 C[C@@H]1NCC[C@H]1O Q64143 [1,0,0,1,0,0|1,0,0]=3 606 B7R1.4 C[C@H]1CCC[C@@H]1N Q53277 [1,0,0,1,0,0|1,0,0]=3 607 B7R1.4 C[C@H]1CCC[C@@H]1N Q53278 [1,0,0,1,0,0|1,0,0]=3 608 B7R1.4 C[C@H]1COC[C@@H]1N L13875 [1,0,0,1,0,0|2,0,0]=4 609 B7R1.4 C[C@H]1NCC[C@@H]1O Q64142 [1,0,0,1,0,0|1,0,0]=3 610 B7R1.4 C[C@H]1NCC[C@H]1O Q64144 [1,0,0,1,0,0|1,0,0]=3 611 B7R1.4 NC1CCCC1Cl Q54474 [1,0,0,1,0,0|2,0,0]=4 612 B7R1.4 NC1CCCC1F Q54472 [1,0,0,1,0,0|2,0,0]=4 613 B7R1.4 NC1CCCC1F Q54473 [1,0,0,1,0,0|2,0,0]=4 614 B7R1.4 NC1CCCC1O F-4442 [1,0,0,1,0,0|1,0,0]=3 615 B7R1.4 N[C@@H]1CCC[C@@H]1F Q61724 [1,0,0,1,0,0|2,0,0]=4 616 B7R1.4 N[C@@H]1CCC[C@@H]1F Q61725 [1,0,0,1,0,0|2,0,0]=4 617 B7R1.4 N[C@@H]1CCC[C@@H]1O F-4443 [1,0,0,1,0,0|1,0,0]=3 618 B7R1.4 N[C@@H]1CCC[C@@H]1O F-4445 [1,0,0,1,0,0|1,0,0]=3 619 B7R1.4 N[C@@H]1CCC[C@H]1F O32983 [1,0,0,1,0,0|2,0,0]=4 620 B7R1.4 N[C@@H]1CCC[C@H]1F Q61721 [1,0,0,1,0,0|2,0,0]=4 621 B7R1.4 N[C@@H]1CCC[C@H]1F Q61728 [1,0,0,1,0,0|2,0,0]=4 622 B7R1.4 N[C@@H]1CCC[C@H]1N L21303 [1,0,0,1,0,0|2,0,0]=4 623 B7R1.4 N[C@@H]1CCC[C@H]1N Q61965 [1,0,0,1,0,0|2,0,0]=4 624 B7R1.4 N[C@@H]1CCC[C@H]1O F-4450 [1,0,0,1,0,0|1,0,0]=3 625 B7R1.4 N[C@@H]1CCC[C@H]1O I-9382 [1,0,0,1,0,0|1,0,0]=3 626 B7R1.4 N[C@@H]1COC[C@H]1O H-8080 [1,0,0,1,0,0|2,0,0]=4 627 B7R1.4 N[C@H]1CCC[C@@H]1F Q61723 [1,0,0,1,0,0|2,0,0]=4 628 B7R1.4 N[C@H]1CCC[C@@H]1O F-4444 [1,0,0,1,0,0|1,0,0]=3 629 B7R1.4 N[C@H]1CCC[C@@H]1O F-4447 [1,0,0,1,0,0|1,0,0]=3 630 B7R1.4 N[C@H]1CCC[C@@H]1O F-4448 [1,0,0,1,0,0|1,0,0]=3 631 B7R1.4 N[C@H]1CCC[C@H]1F Q61722 [1,0,0,1,0,0|2,0,0]=4 632 B7R1.4 N[C@H]1CCC[C@H]1F Q61726 [1,0,0,1,0,0|2,0,0]=4 633 B7R1.4 N[C@H]1CCC[C@H]1F Q61727 [1,0,0,1,0,0|2,0,0]=4 634 B7R1.4 N[C@H]1CCC[C@H]1N O33475 [1,0,0,1,0,0|2,0,0]=4 635 B7R1.4 N[C@H]1CCC[C@H]1O F-4446 [1,0,0,1,0,0|1,0,0]=3 636 B7R1.4 N[C@H]1CCC[C@H]1O F-4449 [1,0,0,1,0,0|1,0,0]=3 637 B7R1.4 N[C@H]1CCC[C@H]1O Q52258 [1,0,0,1,0,0|1,0,0]=3 638 B7R1.4 N[C@H]1COC[C@@H]1O F-4615 [1,0,0,1,0,0|2,0,0]=4 639 B7R1.4 N[C@H]1COC[C@@H]1O H-8081 [1,0,0,1,0,0|2,0,0]=4 640 B7R1.4 N[C@H]1COC[C@H]1O L22268 [1,0,0,1,0,0|2,0,0]=4 641 B7R1.4 N[C@H]1COC[C@H]1O P45710 [1,0,0,1,0,0|2,0,0]=4 642 B7R1.4 O=C1CCCC1O Q61720 [1,0,0,1,0,0|1,0,1]=4 643 B7R1.4 OC1CCCC1F L19027 [1,0,0,1,0,0|1,0,0]=3 644 B7R1.4 O[C@@H]1CCC[C@H]1F Q62078 [1,0,0,1,0,0|1,0,0]=3 645 B7R1.4 O[C@@H]1CNC[C@@H]1F P47689 [1,0,0,1,0,0|2,0,0]=4 646 B7R1.4 O[C@@H]1CNC[C@H]1F L22087 [1,0,0,1,0,0|2,0,0]=4 647 B7R1.4 O[C@@H]1CNC[C@H]1O I-9041 [1,0,0,1,0,0|2,0,0]=4 648 B7R1.4 O[C@H]1CCC[C@@H]1O Q61543 [1,0,0,1,0,0|1,0,0]=3 649 B7R1.4 O[C@H]1CNC[C@@H]1F G-6498 [1,0,0,1,0,0|2,0,0]=4 650 B7R1.4 O[C@H]1CNC[C@@H]1F L18425 [1,0,0,1,0,0|2,0,0]=4 651 B7R1.4 O[C@H]1CNC[C@@H]1O G-7319 [1,0,0,1,0,0|2,0,0]=4 652 B7R1.4 O[C@H]1CNC[C@@H]1O I-9326 [1,0,0,1,0,0|2,0,0]=4 653 B7R1.4 O[C@H]1CNC[C@@H]1O O33609 [1,0,0,1,0,0|2,0,0]=4 654 B7R1.4 O[C@H]1CNC[C@H]1F L14907 [1,0,0,1,0,0|2,0,0]=4 655 B7R1.4 O[C@H]1CNC[C@H]1F Q64937 [1,0,0,1,0,0|2,0,0]=4 656 B7R1.4 O[C@H]1CNC[C@H]1O G-6497 [1,0,0,1,0,0|2,0,0]=4 657 B7R1.4 O[C@H]1CNC[C@H]1O H-8791 [1,0,0,1,0,0|2,0,0]=4 658 B7R1.4 O[C@H]1COC[C@H]1O G-7040 [1,0,0,1,0,0|2,0,0]=4 659 B7R1.6 BrCCC1CCO1 Q56185 [1,0,0,1,0,0|1,0,0]=3 660 B7R1.6 BrCCC1COC1 Q62635 [1,0,0,1,0,0|2,0,0]=4 661 B7R1.6 BrCCN1CCC1 P49207 [1,0,0,1,0,0|2,0,0]=4 662 B7R1.6 CCCC1CNC1 P43152 [1,0,0,1,0,0|1,0,0]=3 663 B7R1.6 CCCC1CNC1 P44924 [1,0,0,1,0,0|1,0,0]=3 664 B7R1.6 CCNC1CCC1 P34707 [1,0,0,1,0,0|1,0,0]=3 665 B7R1.6 CCNC1CCC1 P45089 [1,0,0,1,0,0|1,0,0]=3 666 B7R1.6 CCNC1CNC1 M22745 [1,0,0,1,0,0|2,0,0]=4 667 B7R1.6 CCNC1CNC1 P45767 [1,0,0,1,0,0|2,0,0]=4 668 B7R1.6 CCNC1COC1 G-6617 [1,0,0,1,0,0|2,0,0]=4 669 B7R1.6 CCOC1CNC1 O28975 [1,0,0,1,0,0|2,0,0]=4 670 B7R1.6 CCOC1CNC1 P44497 [1,0,0,1,0,0|2,0,0]=4 671 B7R1.6 CCSC1CNC1 P46826 [1,0,0,1,0,0|2,0,0]=4 672 B7R1.6 CCSC1CNC1 P48713 [1,0,0,1,0,0|2,0,0]=4 673 B7R1.6 CNCC1CCC1 P42057 [1,0,0,1,0,0|1,0,0]=3 674 B7R1.6 CNCC1CCC1 P44415 [1,0,0,1,0,0|1,0,0]=3 675 B7R1.6 CNCC1CCO1 Q55851 [1,0,0,1,0,0|1,0,0]=3 676 B7R1.6 CNCC1CNC1 P43156 [1,0,0,1,0,0|2,0,0]=4 677 B7R1.6 CNCC1CNC1 P44879 [1,0,0,1,0,0|2,0,0]=4 678 B7R1.6 CNCC1COC1 G-7362 [1,0,0,1,0,0|2,0,0]=4 679 B7R1.6 COCC1CCN1 I-9954 [1,0,0,1,0,0|2,0,0]=4 680 B7R1.6 COCC1CCN1 Q56488 [1,0,0,1,0,0|2,0,0]=4 681 B7R1.6 COCC1CCN1 Q56489 [1,0,0,1,0,0|2,0,0]=4 682 B7R1.6 COCC1CNC1 C-2240 [1,0,0,1,0,0|2,0,0]=4 683 B7R1.6 COCC1CNC1 L13685 [1,0,0,1,0,0|2,0,0]=4 684 B7R1.6 COC[C@@H]1CCN1 G-6501 [1,0,0,1,0,0|2,0,0]=4 685 B7R1.6 COC[C@@H]1CCN1 L13813 [1,0,0,1,0,0|2,0,0]=4 686 B7R1.6 COC[C@H]1CCN1 G-7976 [1,0,0,1,0,0|2,0,0]=4 687 B7R1.6 ClCOC1CCC1 P49912 [1,0,0,1,0,0|2,0,0]=4 688 B7R1.6 FCCC1CNC1 P50454 [1,0,0,1,0,0|2,0,0]=4 689 B7R1.6 ICCC1CCO1 Q56184 [1,0,0,1,0,0|1,0,0]=3 690 B7R1.6 ICCC1COC1 Q62634 [1,0,0,1,0,0|2,0,0]=4 691 B7R1.6 N#CCC1CCC1 P38067 [1,0,0,1,0,0|1,0,1]=4 692 B7R1.6 NCCC1CCC1 L18182 [1,0,0,1,0,0|1,0,0]=3 693 B7R1.6 NCCC1CCC1 P48448 [1,0,0,1,0,0|1,0,0]=3 694 B7R1.6 NCCC1CCO1 O32973 [1,0,0,1,0,0|1,0,0]=3 695 B7R1.6 NCCC1CNC1 P48388 [1,0,0,1,0,0|2,0,0]=4 696 B7R1.6 NCCC1COC1 P49100 [1,0,0,1,0,0|2,0,0]=4 697 B7R1.6 NCCC1CSC1 Q58816 [1,0,0,1,0,0|2,0,0]=4 698 B7R1.6 NCCN1CCC1 L14069 [1,0,0,1,0,0|2,0,0]=4 699 B7R1.6 NCC[C@@H]1CCO1 Q56188 [1,0,0,1,0,0|1,0,0]=3 700 B7R1.6 NCC[C@H]1CCO1 Q56187 [1,0,0,1,0,0|1,0,0]=3 701 B7R1.6 NNCC1CCC1 L14190 [1,0,0,1,0,0|2,0,0]=4 702 B7R1.6 O=CCC1CCC1 P45355 [1,0,0,1,0,0|0,0,2]=4 703 B7R1.6 O=CCC1CCO1 Q56186 [1,0,0,1,0,0|1,0,1]=4 704 B7R1.6 OCC=C1CCC1 P45610 [1,0,0,1,0,0|0,0,2]=4 705 B7R1.6 OCCC1CCC1 P34706 [1,0,0,1,0,0|0,0,0]=2 706 B7R1.6 OCCC1CCO1 F-4763 [1,0,0,1,0,0|1,0,0]=3 707 B7R1.6 OCCC1CNC1 L21357 [1,0,0,1,0,0|1,0,0]=3 708 B7R1.6 OCCC1CNC1 P44027 [1,0,0,1,0,0|1,0,0]=3 709 B7R1.6 OCCC1COC1 G-5285 [1,0,0,1,0,0|1,0,0]=3 710 B7R1.6 OCCC1CSC1 Q58815 [1,0,0,1,0,0|1,0,0]=3 711 B7R1.6 OCCN1CCC1 P44493 [1,0,0,1,0,0|1,0,0]=3 712 B7R1.6 OCC[C@@H]1CCO1 Q56146 [1,0,0,1,0,0|1,0,0]=3 713 B7R1.6 OCC[C@H]1CCO1 Q56145 [1,0,0,1,0,0|1,0,0]=3 714 B7R1.7 CCCNC1CC1 P36383 [1,0,0,1,0,0|1,0,0]=3 715 B7R1.7 CCCNC1CC1 P41552 [1,0,0,1,0,0|1,0,0]=3 716 B7R1.7 CNCCC1CC1 P40835 [1,0,0,1,0,0|1,0,0]=3 717 B7R1.7 NCCNC1CC1 O30035 [1,0,0,1,0,0|2,0,0]=4 718 B7R1.7 OCC#CC1CC1 L14728 [1,0,0,1,0,0|0,0,2]=4 719 B7R1.7 OCCNC1CC1 P38598 [1,0,0,1,0,0|1,0,0]=3 720 B7R1.8 CC1CCC1CO P48346 [1,0,0,1,0,0|0,0,0]=2 721 B7R1.8 CC1OCC1CO Q56093 [1,0,0,1,0,0|1,0,0]=3 722 B7R1.8 CN1CCC1CN L18103 [1,0,0,1,0,0|2,0,0]=4 723 B7R1.8 CN1CCC1CN P43972 [1,0,0,1,0,0|2,0,0]=4 724 B7R1.8 CN1CCC1CO P47720 [1,0,0,1,0,0|1,0,0]=3 725 B7R1.8 CN1CC[C@@H]1CN L18105 [1,0,0,1,0,0|2,0,0]=4 726 B7R1.8 CN1CC[C@@H]1CN P43970 [1,0,0,1,0,0|2,0,0]=4 727 B7R1.8 CN1CC[C@@H]1CO P46629 [1,0,0,1,0,0|1,0,0]=3 728 B7R1.8 CN1CC[C@H]1CN L18104 [1,0,0,1,0,0|2,0,0]=4 729 B7R1.8 CN1CC[C@H]1CN P43971 [1,0,0,1,0,0|2,0,0]=4 730 B7R1.8 CN1CC[C@H]1CO P44139 [1,0,0,1,0,0|1,0,0]=3 731 B7R1.8 CO[C@@H]1CC[C@@H]1N P50889 [1,0,0,1,0,0|2,0,0]=4 732 B7R1.8 CO[C@@H]1CC[C@@H]1N P50890 [1,0,0,1,0,0|2,0,0]=4 733 B7R1.8 CO[C@@H]1CC[C@H]1N P46967 [1,0,0,1,0,0|2,0,0]=4 734 B7R1.8 CO[C@@H]1CC[C@H]1N P50886 [1,0,0,1,0,0|2,0,0]=4 735 B7R1.8 CO[C@H]1CC[C@@H]1N P50517 [1,0,0,1,0,0|2,0,0]=4 736 B7R1.8 CO[C@H]1CC[C@H]1N P50488 [1,0,0,1,0,0|2,0,0]=4 737 B7R1.8 NCC1CCC1F P47834 [1,0,0,1,0,0|2,0,0]=4 738 B7R1.8 NCC1CCC1F P50566 [1,0,0,1,0,0|2,0,0]=4 739 B7R1.8 O=C1CCC1CO L18510 [1,0,0,1,0,0|1,0,1]=4 740 B7R1.8 OCC1CCC1F P47249 [1,0,0,1,0,0|1,0,0]=3 741 B7R1.8 OCC1CCC1O P50851 [1,0,0,1,0,0|1,0,0]=3 742 B7R1.8 OC[C@@H]1CC[C@H]1O P50820 [1,0,0,1,0,0|1,0,0]=3 743 B7R1.8 OC[C@H]1CC[C@H]1O P48230 [1,0,0,1,0,0|1,0,0]=3 744 B7R1.9 OC[C@H]1C[C@H]1CO L22279 [1,0,0,1,0,0|1,0,0]=3 745 B7R1.24 C1CNCCOC1 O28784 [1,0,0,1,0,0|1,0,0]=3 746 B9R1.2 CC1CC(CN)CCN1 Q65210 [0,1,0,1,0,0|2,0,0]=4 747 B9R1.2 CC1CC(CN)CCO1 Q57803 [0,1,0,1,0,0|2,0,0]=4 748 B9R1.2 CC1CC(CN)CCO1 Q57804 [0,1,0,1,0,0|2,0,0]=4 749 B9R1.2 CC1CC(CO)CCO1 Q57696 [0,1,0,1,0,0|1,0,0]=3 750 B9R1.2 CC1CCCC(C=O)C1 Q59550 [0,1,0,1,0,0|0,0,2]=4 751 B9R1.2 CC1CCCC(CBr)C1 Q59544 [0,1,0,1,0,0|1,0,0]=3 752 B9R1.2 CC1CCCC(CO)C1 Q59549 [0,1,0,1,0,0|0,0,0]=2 753 B9R1.2 CC1CCCC(CO)N1 F-4721 [0,1,0,1,0,0|0,0,0]=2 754 B9R1.2 CC1CCCC(NN)C1 L20937 [0,1,0,1,0,0|2,0,0]=4 755 B9R1.2 CC1CCCC(NN)C1 Q59504 [0,1,0,1,0,0|2,0,0]=4 756 B9R1.2 CCC1CC(=O)CCO1 10650 [0,1,0,1,0,0|0,0,1]=3 757 B9R1.2 CCC1CC(N)CCO1 Q57607 [0,1,0,1,0,0|0,0,0]=2 758 B9R1.2 CCC1CC(O)CCO1 Q57706 [0,1,0,1,0,0|0,0,0]=2 759 B9R1.2 CCN1CCCC(N)C1 P36640 [0,1,0,1,0,0|2,0,0]=4 760 B9R1.2 CN1CCCC(CN)C1 C-2762 [0,1,0,1,0,0|2,0,0]=4 761 B9R1.2 CN1CCC[C@@H](CN)C1 G-5005 [0,1,0,1,0,0|2,0,0]=4 762 B9R1.2 CN1CCC[C@@H](CN)C1 G-5267 [0,1,0,1,0,0|2,0,0]=4 763 B9R1.2 CN1CCC[C@@H](CO)C1 L14188 [0,1,0,1,0,0|1,0,0]=3 764 B9R1.2 CN1CCC[C@H](CN)C1 G-5006 [0,1,0,1,0,0|2,0,0]=4 765 B9R1.2 CN1CCC[C@H](CN)C1 Q51837 [0,1,0,1,0,0|2,0,0]=4 766 B9R1.2 CN1CCC[C@H](CO)C1 Q54917 [0,1,0,1,0,0|1,0,0]=3 767 B9R1.2 CN1CCNC(CO)C1 P50294 [0,1,0,1,0,0|2,0,0]=4 768 B9R1.2 CN1CCOC(CN)C1 B-1160 [0,1,0,1,0,0|2,0,0]=4 769 B9R1.2 CN1CCOC(CO)C1 B-1180 [0,1,0,1,0,0|2,0,0]=4 770 B9R1.2 CN1CCO[C@@H](CN)C1 B-1159 [0,1,0,1,0,0|2,0,0]=4 771 B9R1.2 CN1CCO[C@@H](CO)C1 B-1178 [0,1,0,1,0,0|2,0,0]=4 772 B9R1.2 CN1CCO[C@H](CN)C1 B-1158 [0,1,0,1,0,0|2,0,0]=4 773 B9R1.2 CN1CCO[C@H](CO)C1 B-1179 [0,1,0,1,0,0|2,0,0]=4 774 B9R1.2 COC1CCCC(O)C1 L21478 [0,1,0,1,0,0|1,0,0]=3 775 B9R1.2 CO[C@@H]1CCC[C@@H](N)C1 P49873 [0,1,0,1,0,0|2,0,0]=4 776 B9R1.2 CO[C@@H]1CCC[C@@H](O)C1 P46941 [0,1,0,1,0,0|1,0,0]=3 777 B9R1.2 CO[C@@H]1CCC[C@H](O)C1 P46930 [0,1,0,1,0,0|1,0,0]=3 778 B9R1.2 CO[C@@H]1CCC[C@H](O)C1 P47713 [0,1,0,1,0,0|1,0,0]=3 779 B9R1.2 CO[C@H]1CCC[C@@H](O)C1 P46929 [0,1,0,1,0,0|1,0,0]=3 780 B9R1.2 CO[C@H]1CCC[C@H](O)C1 P45107 [0,1,0,1,0,0|1,0,0]=3 781 B9R1.2 CO[C@H]1CCC[C@H](O)C1 P46656 [0,1,0,1,0,0|1,0,0]=3 782 B9R1.2 C[C@H]1CCOC(C=O)C1 Q57858 [0,1,0,1,0,0|1,0,1]=4 783 B9R1.2 C[C@H]1C[C@@H](CO)CCN1 Q61114 [0,1,0,1,0,0|1,0,0]=3 784 B9R1.2 NC1CCOC(CO)C1 Q54643 [0,1,0,1,0,0|1,0,0]=3 785 B9R1.2 NCC1CCCC(O)C1 P49691 [0,1,0,1,0,0|1,0,0]=3 786 B9R1.2 N[C@@H]1CCC[C@@H](CO)C1 P48428 [0,1,0,1,0,0|0,0,0]=2 787 B9R1.2 N[C@@H]1CCO[C@H](CO)C1 Q54644 [0,1,0,1,0,0|1,0,0]=3 788 B9R1.2 N[C@H]1CCO[C@@H](CO)C1 Q54645 [0,1,0,1,0,0|1,0,0]=3 789 B9R1.2 N[C@H]1CCO[C@H](CO)C1 Q54646 [0,1,0,1,0,0|1,0,0]=3 790 B9R1.2 O=C1CC(CO)CCN1 C-3400 [0,1,0,1,0,0|1,0,1]=4 791 B9R1.2 O=C1CCCC(CO)N1 10055 [0,1,0,1,0,0|1,0,1]=4 792 B9R1.2 O=C1CCC[C@H](CO)N1 Q65248 [0,1,0,1,0,0|1,0,1]=4 793 B9R1.2 O=C1CCOC(CO)C1 Q54642 [0,1,0,1,0,0|1,0,1]=4 794 B9R1.2 OCC1CNCC(F)C1 Q61297 [0,1,0,1,0,0|1,0,0]=3 795 B9R1.7 CC1CCN(CCBr)C1 Q59210 [0,1,0,1,0,0|2,0,0]=4 796 B9R1.7 CC1CCN(CCO)C1 Q59221 [0,1,0,1,0,0|1,0,0]=3 797 B9R1.7 CN1CCC(CCN)C1 G-5346 [0,1,0,1,0,0|2,0,0]=4 798 B9R1.7 CN1CCC(CCO)C1 G-5270 [0,1,0,1,0,0|1,0,0]=3 799 B9R1.7 CN1CC[C@@H](CCO)C1 Q54911 [0,1,0,1,0,0|1,0,0]=3 800 B9R1.7 CN1CC[C@H](CCO)C1 Q54912 [0,1,0,1,0,0|1,0,0]=3 801 B9R1.7 COC[C@@H]1C[C@H](F)CN1 Q61823 [0,1,0,1,0,0|2,0,0]=4 802 B9R1.7 COC[C@H]1C[C@H](F)CN1 Q61824 [0,1,0,1,0,0|2,0,0]=4 803 B9R1.7 NC1CCN(CCF)C1 Q54946 [0,1,0,1,0,0|2,0,0]=4 804 B9R1.7 NC1CCN(CCF)C1 Q54947 [0,1,0,1,0,0|2,0,0]=4 805 B9R1.7 NCCN1CCC(O)C1 O29981 [0,1,0,1,0,0|2,0,0]=4 806 B9R1.7 N[C@@H]1CCN(CCF)C1 Q54948 [0,1,0,1,0,0|2,0,0]=4 807 B9R1.7 N[C@@H]1CCN(CCF)C1 Q54949 [0,1,0,1,0,0|2,0,0]=4 808 B9R1.7 N[C@H]1CCN(CCF)C1 Q54950 [0,1,0,1,0,0|2,0,0]=4 809 B9R1.7 OC1CCN(CCCl)C1 Q53507 [0,1,0,1,0,0|2,0,0]=4 810 B9R1.7 OC1CCN(CCCl)C1 Q53508 [0,1,0,1,0,0|2,0,0]=4 811 B9R1.7 O[C@@H]1CCN(CCCl)C1 Q53505 [0,1,0,1,0,0|2,0,0]=4 812 B9R1.7 O[C@@H]1CCN(CCCl)C1 Q53506 [0,1,0,1,0,0|2,0,0]=4 813 B9R1.7 O[C@H]1CCN(CCCl)C1 Q53503 [0,1,0,1,0,0|2,0,0]=4 814 B9R1.7 O[C@H]1CCN(CCCl)C1 Q53504 [0,1,0,1,0,0|2,0,0]=4 815 B9R1.8 BrCCC1CCCCC1 P40749 [0,1,0,1,0,0|1,0,0]=3 816 B9R1.8 BrCCC1CCOCC1 P37969 [0,1,0,1,0,0|1,0,0]=3 817 B9R1.8 CCCC1CCCNC1 Q59858 [0,1,0,1,0,0|1,0,0]=3 818 B9R1.8 CCCC1CCNCC1 M22635 [0,1,0,1,0,0|1,0,0]=3 819 B9R1.8 CCC[C@@H]1CCCCN1 Q54719 [0,1,0,1,0,0|1,0,0]=3 820 B9R1.8 CCNC1CCOCC1 M15174 [0,1,0,1,0,0|2,0,0]=4 821 B9R1.8 CCOC1CCCNC1 P42499 [0,1,0,1,0,0|2,0,0]=4 822 B9R1.8 CCOC1CCNCC1 P42609 [0,1,0,1,0,0|2,0,0]=4 823 B9R1.8 CNCC1CCCCC1 P39298 [0,1,0,1,0,0|1,0,0]=3 824 B9R1.8 CNCC1CCCCC1 Q59474 [0,1,0,1,0,0|1,0,0]=3 825 B9R1.8 CNCC1CCCOC1 L14590 [0,1,0,1,0,0|1,0,0]=3 826 B9R1.8 CNCC1CCOCC1 I-9263 [0,1,0,1,0,0|2,0,0]=4 827 B9R1.8 CNCC1COCCO1 Q70163 [0,1,0,1,0,0|1,0,0]=3 828 B9R1.8 CNC[C@@H]1COCCO1 P44854 [0,1,0,1,0,0|1,0,0]=3 829 B9R1.8 CNC[C@H]1COCCO1 P46411 [0,1,0,1,0,0|1,0,0]=3 830 B9R1.8 COCC1CCCCN1 O28609 [0,1,0,1,0,0|1,0,0]=3 831 B9R1.8 COCC1CCCCN1 Q60043 [0,1,0,1,0,0|1,0,0]=3 832 B9R1.8 COCC1CCCNC1 O28836 [0,1,0,1,0,0|1,0,0]=3 833 B9R1.8 COCC1CCNCC1 L21390 [0,1,0,1,0,0|1,0,0]=3 834 B9R1.8 COCC1CNCCO1 B-1096 [0,1,0,1,0,0|1,0,0]=3 835 B9R1.8 COCC1COCCN1 B-1047 [0,1,0,1,0,0|2,0,0]=4 836 B9R1.8 COC[C@@H]1CCCNC1 P35700 [0,1,0,1,0,0|1,0,0]=3 837 B9R1.8 COC[C@@H]1CNCCO1 B-1097 [0,1,0,1,0,0|1,0,0]=3 838 B9R1.8 COC[C@@H]1COCCN1 B-1045 [0,1,0,1,0,0|2,0,0]=4 839 B9R1.8 COC[C@H]1CCCNC1 P35650 [0,1,0,1,0,0|1,0,0]=3 840 B9R1.8 COC[C@H]1CNCCO1 B-1098 [0,1,0,1,0,0|1,0,0]=3 841 B9R1.8 COC[C@H]1COCCN1 B-1046 [0,1,0,1,0,0|2,0,0]=4 842 B9R1.8 ClCCC1CCOCC1 Q57792 [0,1,0,1,0,0|1,0,0]=3 843 B9R1.8 FCCC1CCCNC1 Q57445 [0,1,0,1,0,0|1,0,0]=3 844 B9R1.8 FCCC1CCNCC1 Q57446 [0,1,0,1,0,0|1,0,0]=3 845 B9R1.8 FCCC1CCNCC1 Q57447 [0,1,0,1,0,0|1,0,0]=3 846 B9R1.8 FCCN1CCNCC1 H-8967 [0,1,0,1,0,0|2,0,0]=4 847 B9R1.8 FCCN1CCNCC1 P42708 [0,1,0,1,0,0|2,0,0]=4 848 B9R1.8 ICCC1CCOCC1 O29698 [0,1,0,1,0,0|1,0,0]=3 849 B9R1.8 N#CCC1CCCCC1 P38061 [0,1,0,1,0,0|1,0,0]=3 850 B9R1.8 N#CCC1CCCNC1 M23514 [0,1,0,1,0,0|1,0,1]=4 851 B9R1.8 N#CCC1CCNCC1 M23969 [0,1,0,1,0,0|1,0,1]=4 852 B9R1.8 N#CCC1CCOCC1 P35807 [0,1,0,1,0,0|1,0,1]=4 853 B9R1.8 NCCC1CCCCC1 P34723 [0,1,0,1,0,0|1,0,0]=3 854 B9R1.8 NCCC1CCCCO1 P38225 [0,1,0,1,0,0|0,0,0]=2 855 B9R1.8 NCCC1CCCOC1 S72503 [0,1,0,1,0,0|1,0,0]=3 856 B9R1.8 NCCC1CCOCC1 G-5344 [0,1,0,1,0,0|1,0,0]=3 857 B9R1.8 NCCC1CCSCC1 Q56858 [0,1,0,1,0,0|1,0,0]=3 858 B9R1.8 NCCC1COCCN1 O27851 [0,1,0,1,0,0|2,0,0]=4 859 B9R1.8 NNCC1CCCCC1 P44365 [0,1,0,1,0,0|1,0,0]=3 860 B9R1.8 NNCC1CCCCO1 L20946 [0,1,0,1,0,0|1,0,0]=3 861 B9R1.8 NNCC1CCCCO1 Q57605 [0,1,0,1,0,0|1,0,0]=3 862 B9R1.8 NNCC1CCCOC1 Q52421 [0,1,0,1,0,0|2,0,0]=4 863 B9R1.8 NNCC1CCOCC1 L20783 [0,1,0,1,0,0|2,0,0]=4 864 B9R1.8 O=CCC1CCCCC1 P34717 [0,1,0,1,0,0|0,0,1]=3 865 B9R1.8 O=CCC1CCCOC1 Q60383 [0,1,0,1,0,0|0,0,2]=4 866 B9R1.8 O=CCC1CCOCC1 O30688 [0,1,0,1,0,0|0,0,2]=4 867 B9R1.8 O=CCN1CCCCC1 P37973 [0,1,0,1,0,0|0,0,2]=4 868 B9R1.8 OCCC1CCCCC1 P44676 [0,1,0,1,0,0|0,0,0]=2 869 B9R1.8 OCCC1CCCCO1 P38380 [0,1,0,1,0,0|0,0,0]=2 870 B9R1.8 OCCC1CCCNC1 P36369 [0,1,0,1,0,0|0,0,0]=2 871 B9R1.8 OCCC1CCNCC1 P45391 [0,1,0,1,0,0|0,0,0]=2 872 B9R1.8 OCCC1CCOCC1 C-3414 [0,1,0,1,0,0|0,0,0]=2 873 B9R1.8 OCCC1CCSCC1 Q56857 [0,1,0,1,0,0|0,0,0]=2 874 B9R1.8 OCCC1CNCCN1 P38723 [0,1,0,1,0,0|1,0,0]=3 875 B9R1.8 OCCC1CNCCO1 O28277 [0,1,0,1,0,0|1,0,0]=3 876 B9R1.8 OCCC1COCCN1 O27853 [0,1,0,1,0,0|1,0,0]=3 877 B9R1.8 OCC[C@@H]1CCCCN1 O33566 [0,1,0,1,0,0|0,0,0]=2 878 B9R1.8 OCC[C@@H]1CCCCO1 Q53045 [0,1,0,1,0,0|0,0,0]=2 879 B9R1.8 OCC[C@@H]1COCCN1 P35095 [0,1,0,1,0,0|1,0,0]=3 880 B9R1.8 OCC[C@H]1CNCCN1 K12326 [0,1,0,1,0,0|1,0,0]=3 881 B9R1.8 OCC[C@H]1COCCN1 P36209 [0,1,0,1,0,0|1,0,0]=3 882 B9R1.8 [N-]=[N+]=NC1CCCCC1 P40097 [0,1,0,1,0,0|2,0,0]=4 883 B9R1.9 COCCN1CC(O)C1 P48735 [0,1,0,1,0,0|2,0,0]=4 884 B9R1.12 BrCCCC1CCCC1 P38703 [0,1,0,1,0,0|1,0,0]=3 885 B9R1.12 C#CCCN1CCCC1 P41150 [0,1,0,1,0,0|1,0,1]=4 886 B9R1.12 CCCOC1CCNC1 P34911 [0,1,0,1,0,0|2,0,0]=4 887 B9R1.12 CCCO[C@@H]1CCNC1 P35814 [0,1,0,1,0,0|2,0,0]=4 888 B9R1.12 CCCO[C@H]1CCNC1 P35519 [0,1,0,1,0,0|2,0,0]=4 889 B9R1.12 CCNCC1CCNC1 Q61645 [0,1,0,1,0,0|2,0,0]=4 890 B9R1.12 CNCCC1CCCC1 P35273 [0,1,0,1,0,0|1,0,0]=3 891 B9R1.12 CNCCC1CCCC1 P35770 [0,1,0,1,0,0|1,0,0]=3 892 B9R1.12 CNCCN1CCCC1 L19572 [0,1,0,1,0,0|2,0,0]=4 893 B9R1.12 COCCC1CCCN1 G-7743 [0,1,0,1,0,0|1,0,0]=3 894 B9R1.12 ClCCCN1CCCC1 G-7779 [0,1,0,1,0,0|1,0,0]=3 895 B9R1.12 ICCCC1CCCC1 P42787 [0,1,0,1,0,0|1,0,0]=3 896 B9R1.12 NCCCC1CCCC1 O33622 [0,1,0,1,0,0|1,0,0]=3 897 B9R1.12 NCCCC1CCCC1 P37126 [0,1,0,1,0,0|1,0,0]=3 898 B9R1.12 OCCCC1CCCC1 P36172 [0,1,0,1,0,0|0,0,0]=2 899 B9R1.12 OCCC[C@@H]1CCCN1 Q57415 [0,1,0,1,0,0|0,0,0]=2 900 B9R1.12 [N-]=[N+]=NCC1CCCC1 O28175 [0,1,0,1,0,0|2,0,0]=4 901 B9R1.15 C#CC1CCCCC1O P45431 [0,1,0,1,0,0|0,0,1]=3 902 B9R1.15 C#C[C@@H]1CCCC[C@@H]1O P45395 [0,1,0,1,0,0|0,0,1]=3 903 B9R1.15 C#C[C@@H]1CCCC[C@H]1O P45477 [0,1,0,1,0,0|0,0,1]=3 904 B9R1.15 C#C[C@H]1CCCC[C@H]1O P46632 [0,1,0,1,0,0|0,0,1]=3 905 B9R1.15 CC1CCCCC1NN L20777 [0,1,0,1,0,0|1,0,0]=3 906 B9R1.15 CCN1CCNC[C@H]1C O34272 [0,1,0,1,0,0|2,0,0]=4 907 B9R1.15 CCN1CCNC[C@H]1C P51493 [0,1,0,1,0,0|2,0,0]=4 908 B9R1.15 CN1CCCCC1C=O Q60366 [0,1,0,1,0,0|0,0,2]=4 909 B9R1.15 CN1CCCCC1CN 10196 [0,1,0,1,0,0|1,0,0]=3 910 B9R1.15 CN1CCCC[C@@H]1CN Q61370 [0,1,0,1,0,0|1,0,0]=3 911 B9R1.15 CN1CCCC[C@H]1CN Q61369 [0,1,0,1,0,0|1,0,0]=3 912 B9R1.15 CN1CCOCC1CN B-1157 [0,1,0,1,0,0|2,0,0]=4 913 B9R1.15 CN1CCOCC1CO B-1177 [0,1,0,1,0,0|1,0,0]=3 914 B9R1.15 CN1CCOC[C@@H]1CN B-1156 [0,1,0,1,0,0|2,0,0]=4 915 B9R1.15 CN1CCOC[C@@H]1CO B-1176 [0,1,0,1,0,0|1,0,0]=3 916 B9R1.15 CN1CCOC[C@H]1CN B-1140 [0,1,0,1,0,0|2,0,0]=4 917 B9R1.15 CN1CCOC[C@H]1CO B-1175 [0,1,0,1,0,0|1,0,0]=3 918 B9R1.15 CNC1CCCCC1=O O32079 [0,1,0,1,0,0|0,0,2]=4 919 B9R1.15 CN[C@@H]1CCCC[C@@H]1C P45885 [0,1,0,1,0,0|1,0,0]=3 920 B9R1.15 CN[C@@H]1CCOC[C@@H]1F Q63885 [0,1,0,1,0,0|2,0,0]=4 921 B9R1.15 CN[C@@H]1CCOC[C@H]1F Q63883 [0,1,0,1,0,0|2,0,0]=4 922 B9R1.15 CN[C@@H]1CNCC[C@@H]1C F-4019 [0,1,0,1,0,0|2,0,0]=4 923 B9R1.15 CN[C@H]1CCOC[C@@H]1F Q63882 [0,1,0,1,0,0|2,0,0]=4 924 B9R1.15 CN[C@H]1CCOC[C@H]1F Q63884 [0,1,0,1,0,0|2,0,0]=4 925 B9R1.15 CN[C@H]1CNCC[C@H]1C F-4018 [0,1,0,1,0,0|2,0,0]=4 926 B9R1.15 COC1CCCCC1=O P44670 [0,1,0,1,0,0|0,0,2]=4 927 B9R1.15 COC1CCCCC1N P45618 [0,1,0,1,0,0|1,0,0]=3 928 B9R1.15 COC1COCCC1O Q57739 [0,1,0,1,0,0|1,0,0]=3 929 B9R1.15 COC1OCCCC1=O L19674 [0,1,0,1,0,0|1,0,1]=4 930 B9R1.15 CO[C@@H]1CCCC[C@@H]1N P45281 [0,1,0,1,0,0|1,0,0]=3 931 B9R1.15 CO[C@@H]1CCCC[C@@H]1N P48339 [0,1,0,1,0,0|1,0,0]=3 932 B9R1.15 CO[C@@H]1CCCC[C@H]1N P45280 [0,1,0,1,0,0|1,0,0]=3 933 B9R1.15 CO[C@@H]1CCCC[C@H]1N P48092 [0,1,0,1,0,0|1,0,0]=3 934 B9R1.15 CO[C@@H]1CCNC[C@@H]1F Q64602 [0,1,0,1,0,0|2,0,0]=4 935 B9R1.15 CO[C@@H]1CCNC[C@@H]1F Q64674 [0,1,0,1,0,0|2,0,0]=4 936 B9R1.15 CO[C@@H]1CCNC[C@@H]1O L22135 [0,1,0,1,0,0|1,0,0]=3 937 B9R1.15 CO[C@@H]1CCNC[C@@H]1O Q52404 [0,1,0,1,0,0|1,0,0]=3 938 B9R1.15 CO[C@@H]1CCNC[C@@H]1O Q65043 [0,1,0,1,0,0|1,0,0]=3 939 B9R1.15 CO[C@@H]1CCNC[C@H]1F Q64597 [0,1,0,1,0,0|2,0,0]=4 940 B9R1.15 CO[C@@H]1CCNC[C@H]1F Q64598 [0,1,0,1,0,0|2,0,0]=4 941 B9R1.15 CO[C@@H]1CCNC[C@H]1F Q64675 [0,1,0,1,0,0|2,0,0]=4 942 B9R1.15 CO[C@@H]1COCC[C@@H]1N L18328 [0,1,0,1,0,0|2,0,0]=4 943 B9R1.15 CO[C@@H]1COCC[C@@H]1N Q65024 [0,1,0,1,0,0|2,0,0]=4 944 B9R1.15 CO[C@@H]1COCC[C@H]1N G-7592 [0,1,0,1,0,0|2,0,0]=4 945 B9R1.15 CO[C@H]1CCCC[C@@H]1N P47400 [0,1,0,1,0,0|1,0,0]=3 946 B9R1.15 CO[C@H]1CCCC[C@H]1N P45253 [0,1,0,1,0,0|1,0,0]=3 947 B9R1.15 CO[C@H]1CCNC[C@@H]1F Q64599 [0,1,0,1,0,0|2,0,0]=4 948 B9R1.15 CO[C@H]1CCNC[C@@H]1F Q64676 [0,1,0,1,0,0|2,0,0]=4 949 B9R1.15 CO[C@H]1CCNC[C@@H]1O L13699 [0,1,0,1,0,0|1,0,0]=3 950 B9R1.15 CO[C@H]1CCNC[C@@H]1O L21319 [0,1,0,1,0,0|1,0,0]=3 951 B9R1.15 CO[C@H]1CCNC[C@H]1F Q64600 [0,1,0,1,0,0|2,0,0]=4 952 B9R1.15 CO[C@H]1CCNC[C@H]1F Q64601 [0,1,0,1,0,0|2,0,0]=4 953 B9R1.15 CO[C@H]1CCNC[C@H]1F Q64672 [0,1,0,1,0,0|2,0,0]=4 954 B9R1.15 CO[C@H]1CCNC[C@H]1F Q64673 [0,1,0,1,0,0|2,0,0]=4 955 B9R1.15 CO[C@H]1CNCC[C@@H]1O K12444 [0,1,0,1,0,0|1,0,0]=3 956 B9R1.15 CO[C@H]1CNCC[C@@H]1O Q61165 [0,1,0,1,0,0|1,0,0]=3 957 B9R1.15 CO[C@H]1CNCC[C@H]1O K12443 [0,1,0,1,0,0|1,0,0]=3 958 B9R1.15 CO[C@H]1CNCC[C@H]1O Q61164 [0,1,0,1,0,0|1,0,0]=3 959 B9R1.15 CO[C@H]1COCC[C@@H]1N G-6821 [0,1,0,1,0,0|2,0,0]=4 960 B9R1.15 CO[C@H]1COCC[C@@H]1N G-7593 [0,1,0,1,0,0|2,0,0]=4 961 B9R1.15 CO[C@H]1COCC[C@H]1N C-3418 [0,1,0,1,0,0|2,0,0]=4 962 B9R1.15 CO[C@H]1COCC[C@H]1N K12025 [0,1,0,1,0,0|2,0,0]=4 963 B9R1.15 C[C@@H]1OCCN[C@H]1CO B-1259 [0,1,0,1,0,0|1,0,0]=3 964 B9R1.15 C[C@H]1OCCN[C@@H]1CO B-1258 [0,1,0,1,0,0|1,0,0]=3 965 B9R1.15 FC[C@@H]1CCNC[C@@H]1F Q64656 [0,1,0,1,0,0|2,0,0]=4 966 B9R1.15 N#CC1CCCCC1N P45434 [0,1,0,1,0,0|1,0,1]=4 967 B9R1.15 N#C[C@@H]1CCCC[C@@H]1N P45004 [0,1,0,1,0,0|1,0,1]=4 968 B9R1.15 N#C[C@@H]1CCCC[C@H]1N P49755 [0,1,0,1,0,0|1,0,1]=4 969 B9R1.15 N#C[C@@H]1CCCC[C@H]1O P45379 [0,1,0,1,0,0|0,0,1]=3 970 B9R1.15 N#C[C@@H]1CCNC[C@H]1O Q65021 [0,1,0,1,0,0|1,0,1]=4 971 B9R1.15 N#C[C@H]1CCCC[C@@H]1N P46807 [0,1,0,1,0,0|1,0,1]=4 972 B9R1.15 N#C[C@H]1CCCC[C@H]1N P49756 [0,1,0,1,0,0|1,0,1]=4 973 B9R1.15 NC1CCOCC1CO Q52799 [0,1,0,1,0,0|1,0,0]=3 974 B9R1.15 NCC1COCCC1N Q57608 [0,1,0,1,0,0|2,0,0]=4 975 B9R1.15 NC[C@@H]1CCCC[C@H]1O P45462 [0,1,0,1,0,0|0,0,0]=2 976 B9R1.15 NC[C@@H]1CCNC[C@@H]1O L18141 [0,1,0,1,0,0|1,0,0]=3 977 B9R1.15 NC[C@@H]1CCNC[C@@H]1O Q56496 [0,1,0,1,0,0|1,0,0]=3 978 B9R1.15 NC[C@@H]1CCNC[C@H]1O L18190 [0,1,0,1,0,0|1,0,0]=3 979 B9R1.15 NC[C@@H]1CCNC[C@H]1O Q56625 [0,1,0,1,0,0|1,0,0]=3 980 B9R1.15 NC[C@H]1CCCC[C@H]1N Q59475 [0,1,0,1,0,0|1,0,0]=3 981 B9R1.15 N[C@@H]1CCCC[C@H]1CO P44649 [0,1,0,1,0,0|0,0,0]=2 982 B9R1.15 N[C@@H]1CCCC[C@H]1CO P45460 [0,1,0,1,0,0|0,0,0]=2 983 B9R1.15 N[C@H]1CCCC[C@H]1CO P46191 [0,1,0,1,0,0|0,0,0]=2 984 B9R1.15 O=C1COCCC1CO Q64449 [0,1,0,1,0,0|1,0,1]=4 985 B9R1.15 OCC1CCOCC1F Q64457 [0,1,0,1,0,0|1,0,0]=3 986 B9R1.15 OCC1CCOCC1O Q54635 [0,1,0,1,0,0|1,0,0]=3 987 B9R1.15 OC[C@@H]1CCNC[C@@H]1F M23404 [0,1,0,1,0,0|1,0,0]=3 988 B9R1.15 OC[C@@H]1CCNC[C@@H]1F Q65308 [0,1,0,1,0,0|1,0,0]=3 989 B9R1.15 OC[C@@H]1CCNC[C@@H]1O I-9940 [0,1,0,1,0,0|1,0,0]=3 990 B9R1.15 OC[C@@H]1CCNC[C@@H]1O O33285 [0,1,0,1,0,0|1,0,0]=3 991 B9R1.15 OC[C@@H]1CCNC[C@H]1F Q65310 [0,1,0,1,0,0|1,0,0]=3 992 B9R1.15 OC[C@@H]1CCOC[C@@H]1F Q64458 [0,1,0,1,0,0|1,0,0]=3 993 B9R1.15 OC[C@@H]1CCOC[C@H]1F Q64459 [0,1,0,1,0,0|1,0,0]=3 994 B9R1.15 OC[C@H]1CCNC[C@@H]1F Q65236 [0,1,0,1,0,0|1,0,0]=3 995 B9R1.15 OC[C@H]1CCNC[C@@H]1F Q65309 [0,1,0,1,0,0|1,0,0]=3 996 B9R1.15 OC[C@H]1CCNC[C@@H]1O P44729 [0,1,0,1,0,0|1,0,0]=3 997 B9R1.15 OC[C@H]1CCNC[C@H]1F G-7747 [0,1,0,1,0,0|1,0,0]=3 998 B9R1.15 OC[C@H]1CCOC[C@@H]1O Q54636 [0,1,0,1,0,0|1,0,0]=3 999 B9R1.15 OC[C@H]1CNCC[C@@H]1O Q65207 [0,1,0,1,0,0|1,0,0]=3 1000 B9R1.15 OC[C@H]1NCCC[C@@H]1O Q53227 [0,1,0,1,0,0|1,0,0]=3 1001 B9R1.22 CCC1CN(C)CC1N Q59350 [0,1,0,1,0,0|2,0,0]=4 1002 B9R1.22 N[C@H]1C[C@H](O)[C@H](CO)C1 Q55775 [0,1,0,1,0,0|1,0,0]=3 1003 B9R1.33 C=CC[C@H]1CNC[C@@H]1O Q61833 [0,1,0,1,0,0|0,0,2]=4 1004 B9R1.33 CCC[C@@H]1CNC[C@@H]1O Q62155 [0,1,0,1,0,0|0,0,0]=2 1005 B9R1.33 CCC[C@@H]1CNC[C@H]1O Q62154 [0,1,0,1,0,0|0,0,0]=2 1006 B9R1.33 CN1CCCC1CCBr Q59209 [0,1,0,1,0,0|1,0,0]=3 1007 B9R1.33 CN1CCC[C@@H]1CCN L14303 [0,1,0,1,0,0|1,0,0]=3 1008 B9R1.33 CN1CCC[C@@H]1CCN P44362 [0,1,0,1,0,0|1,0,0]=3 1009 B9R1.33 CN1CCC[C@@H]1CCO Q54913 [0,1,0,1,0,0|0,0,0]=2 1010 B9R1.33 CN1CCC[C@H]1CCN L14623 [0,1,0,1,0,0|1,0,0]=3 1011 B9R1.33 CN1CCC[C@H]1CCN Q52448 [0,1,0,1,0,0|1,0,0]=3 1012 B9R1.33 CN1CCC[C@H]1CCO Q54914 [0,1,0,1,0,0|0,0,0]=2 1013 B9R1.33 CNCC1CCCN1C L18260 [0,1,0,1,0,0|2,0,0]=4 1014 B9R1.33 CNCC1CCCN1C Q61641 [0,1,0,1,0,0|2,0,0]=4 1015 B9R1.33 COCC1CCCC1=O O31995 [0,1,0,1,0,0|0,0,2]=4 1016 B9R1.33 COC[C@@H]1CCCN1N 10743 [0,1,0,1,0,0|2,0,0]=4 1017 B9R1.33 NC1CCCC1CCO L19791 [0,1,0,1,0,0|0,0,0]=2 1018 B9R1.49 CN1CCCC(N)CC1 C-2203 [0,1,0,1,0,0|2,0,0]=4 1019 B9R1.58 OCCN1CC(CF)C1 P48131 [0,1,0,1,0,0|2,0,0]=4 1020 B9R1.69 CC1CC(=O)CCC1O P44912 [0,1,0,1,0,0|0,0,1]=3 1021 B9R1.69 CC1CCC(=O)C(C)C1 Q59598 [0,1,0,1,0,0|0,0,2]=4 1022 B9R1.69 CN1CCC(O)C(F)C1 Q53672 [0,1,0,1,0,0|2,0,0]=4 1023 B9R1.69 C[C@@H]1CC(=O)CC[C@H]1O P49131 [0,1,0,1,0,0|0,0,1]=3 1024 B9R1.69 C[C@@H]1CC[C@@H](O)CN1C Q56746 [0,1,0,1,0,0|2,0,0]=4 1025 B9R1.69 C[C@@H]1C[C@@H](N)CCN1C P50478 [0,1,0,1,0,0|2,0,0]=4 1026 B9R1.69 C[C@@H]1C[C@@H](N)CCN1C Q63684 [0,1,0,1,0,0|2,0,0]=4 1027 B9R1.69 C[C@@H]1C[C@H](N)CCN1C Q63683 [0,1,0,1,0,0|2,0,0]=4 1028 B9R1.69 C[C@H]1CC[C@@H](N)CN1C Q56723 [0,1,0,1,0,0|2,0,0]=4 1029 B9R1.69 C[C@H]1CC[C@H](N)CN1C Q56722 [0,1,0,1,0,0|2,0,0]=4 1030 B9R1.69 C[C@H]1CC[C@H](O)CN1C Q56721 [0,1,0,1,0,0|2,0,0]=4 1031 B9R1.73 CCCC(=O)C1CCC1 P45625 [0,1,0,1,0,0|1,0,1]=4 1032 B9R1.73 CCCC(N)C1CCC1 P48950 [0,1,0,1,0,0|1,0,0]=3 1033 B9R1.117 CC1(OCCN)CCC1 P48266 [0,1,0,1,0,0|2,0,0]=4 1034 B9R1.117 CC1(OCCN)CCC1 P48287 [0,1,0,1,0,0|2,0,0]=4 1035 B9R1.117 COCCC1(O)CCC1 P48344 [0,1,0,1,0,0|2,0,0]=4 1036 B9R1.117 OCCCC1(F)CCC1 P47833 [0,1,0,1,0,0|0,0,0]=2 1037 B9R1.117 OCCCC1(O)CCC1 O33564 [0,1,0,1,0,0|0,0,0]=2 1038 B9R1.134 CCCC1(C)CCNC1 Q61655 [0,1,0,1,0,0|2,0,0]=4 1039 B9R1.134 CCC[C@]1(C)CCNC1 Q61656 [0,1,0,1,0,0|2,0,0]=4 1040 B9R1.134 NCCC1(O)CCCC1 P35729 [0,1,0,1,0,0|1,0,0]=3 1041 B9R1.14 CCN1CCCC1CN I-9237 [0,1,0,1,0,0|1,0,0]=3 1042 B9R1.14 CC[C@H]1CNC[C@@H]1CO P50823 [0,1,0,1,0,0|0,0,0]=2 1043 B9R1.14 CC[C@H]1CNC[C@@H]1CO Q61583 [0,1,0,1,0,0|0,0,0]=2 1044 B9R1.14 CN[C@H]1CNC[C@@H]1OC F-4358 [0,1,0,1,0,0|2,0,0]=4 1045 B9R1.14 CO[C@@H]1CNC[C@H]1OC L13746 [0,1,0,1,0,0|2,0,0]=4 1046 B9R1.14 CO[C@@H]1CNC[C@H]1OC Q55497 [0,1,0,1,0,0|2,0,0]=4 1047 B9R1.14 CO[C@@H]1CNC[C@H]1OC Q61831 [0,1,0,1,0,0|2,0,0]=4 1048 B9R1.14 CO[C@H]1CNC[C@@H]1OC Q61830 [0,1,0,1,0,0|2,0,0]=4 1049 B9R1.14 CO[C@H]1CNC[C@H]1OC L14908 [0,1,0,1,0,0|2,0,0]=4 1050 B9R1.14 CO[C@H]1CNC[C@H]1OC Q55496 [0,1,0,1,0,0|2,0,0]=4 1051 B9R1.17 CCCCCC1CNC1 P48481 [0,1,0,1,0,0|1,0,0]=3 1052 B9R1.17 CCCCCC1CNC1 P48482 [0,1,0,1,0,0|1,0,0]=3 1053 B9R1.17 CCCCOC1CNC1 P44423 [0,1,0,1,0,0|2,0,0]=4 1054 B9R1.17 COCCOC1CNC1 P45890 [0,1,0,1,0,0|2,0,0]=4 1055 B9R1.17 COCCOC1CNC1 P45947 [0,1,0,1,0,0|2,0,0]=4 1056 B9R1.17 FCCCNC1CSC1 Q58841 [0,1,0,1,0,0|2,0,0]=4 1057 B9R1.17 NCCOCC1CCC1 P44970 [0,1,0,1,0,0|1,0,0]=3 1058 B9R1.17 OCCCCC1COC1 Q54774 [0,1,0,1,0,0|0,0,0]=2 1059 B9R1.17 OCCCNC1CCC1 P49147 [0,1,0,1,0,0|0,0,0]=2 1060 B9R1.89 COC1CCCNCC1 C-2753 [0,1,0,1,0,0|1,0,0]=3 1061 B9R1.89 COC1CCCNCC1 C-2753-1 [0,1,0,1,0,0|1,0,0]=3 1062 B9R1.89 N#CC1CCCNCC1 L14395 [0,1,0,1,0,0|1,0,1]=4 1063 B9R1.89 OCC1CCCCNC1 I-9580 [0,1,0,1,0,0|0,0,0]=2 1064 B9R1.1 C#CC1CCC(N)CC1 P47049 [0,1,0,1,0,0|1,0,1]=4 1065 B9R1.1 C#C[C@H]1CC[C@@H](N)CC1 P50490 [0,1,0,1,0,0|1,0,1]=4 1066 B9R1.1 C#C[C@H]1CC[C@H](N)CC1 P46268 [0,1,0,1,0,0|1,0,1]=4 1067 B9R1.1 C#C[C@H]1CC[C@H](O)CC1 P48697 [0,1,0,1,0,0|1,0,1]=4 1068 B9R1.1 CC1CCC(CN)CC1 P38698 [0,1,0,1,0,0|1,0,0]=3 1069 B9R1.1 CC1CCC(CO)CN1 L14235 [0,1,0,1,0,0|1,0,0]=3 1070 B9R1.1 CCC1CCC(Br)CC1 Q59703 [0,1,0,1,0,0|1,0,0]=3 1071 B9R1.1 CCN1CCC(N)CC1 M22705 [0,1,0,1,0,0|2,0,0]=4 1072 B9R1.1 CCN1CCC(N)CC1 P38568 [0,1,0,1,0,0|2,0,0]=4 1073 B9R1.1 CCN1CCC(O)CC1 L14927 [0,1,0,1,0,0|2,0,0]=4 1074 B9R1.1 CN1CCC(CN)CC1 G-5266 [0,1,0,1,0,0|2,0,0]=4 1075 B9R1.1 CN1CCC(CN)CC1 O30592 [0,1,0,1,0,0|2,0,0]=4 1076 B9R1.1 CN1CCC(CN)CC1 O30759 [0,1,0,1,0,0|2,0,0]=4 1077 B9R1.1 CN1CCC(CO)CC1 B-1283 [0,1,0,1,0,0|1,0,0]=3 1078 B9R1.1 CN[C@H]1CC[C@@H](F)CC1 P45485 [0,1,0,1,0,0|2,0,0]=4 1079 B9R1.1 CN[C@H]1CC[C@@H](O)CC1 I-9002 [0,1,0,1,0,0|2,0,0]=4 1080 B9R1.1 CN[C@H]1CC[C@@H](O)CC1 P44754 [0,1,0,1,0,0|2,0,0]=4 1081 B9R1.1 CN[C@H]1CC[C@H](O)CC1 I-9003 [0,1,0,1,0,0|2,0,0]=4 1082 B9R1.1 CN[C@H]1CC[C@H](O)CC1 P44840 [0,1,0,1,0,0|2,0,0]=4 1083 B9R1.1 COC1CCC(O)CC1 P40387 [0,1,0,1,0,0|2,0,0]=4 1084 B9R1.1 CO[C@H]1CC[C@H](N)CC1 O33520 [0,1,0,1,0,0|2,0,0]=4 1085 B9R1.1 CO[C@H]1CC[C@H](N)CC1 P37077 [0,1,0,1,0,0|2,0,0]=4 1086 B9R1.1 C[C@@H]1CC[C@@H](CF)CN1 Q64994 [0,1,0,1,0,0|2,0,0]=4 1087 B9R1.1 C[C@@H]1CC[C@@H](CO)CN1 Q56765 [0,1,0,1,0,0|1,0,0]=3 1088 B9R1.1 C[C@H]1CC[C@@H](CBr)CC1 P45176 [0,1,0,1,0,0|1,0,0]=3 1089 B9R1.1 C[C@H]1CC[C@@H](CF)CN1 Q64992 [0,1,0,1,0,0|2,0,0]=4 1090 B9R1.1 C[C@H]1CC[C@@H](CO)CC1 P45661 [0,1,0,1,0,0|0,0,0]=2 1091 B9R1.1 C[C@H]1CC[C@@H](CO)CN1 L18205 [0,1,0,1,0,0|1,0,0]=3 1092 B9R1.1 C[C@H]1CC[C@@H](CO)CN1 Q65134 [0,1,0,1,0,0|1,0,0]=3 1093 B9R1.1 C[C@H]1CC[C@@H](CO)CN1 Q65135 [0,1,0,1,0,0|1,0,0]=3 1094 B9R1.1 N#C[C@H]1CC[C@H](N)CC1 P45006 [0,1,0,1,0,0|1,0,1]=4 1095 B9R1.1 NC1CCC(CO)CC1 P44916 [0,1,0,1,0,0|0,0,0]=2 1096 B9R1.1 NCC1CCC(F)CC1 P48389 [0,1,0,1,0,0|1,0,0]=3 1097 B9R1.1 NCC1CCC(F)CC1 P48983 [0,1,0,1,0,0|1,0,0]=3 1098 B9R1.1 NCC1CCC(N)CC1 Q59770 [0,1,0,1,0,0|1,0,0]=3 1099 B9R1.1 NCC1CCC(O)CC1 P34700 [0,1,0,1,0,0|1,0,0]=3 1100 B9R1.1 NCC1CCC(O)CC1 P47419 [0,1,0,1,0,0|1,0,0]=3 1101 B9R1.1 NC[C@H]1CC[C@@H](F)CC1 P47139 [0,1,0,1,0,0|1,0,0]=3 1102 B9R1.1 NC[C@H]1CC[C@@H](O)CC1 L21269 [0,1,0,1,0,0|1,0,0]=3 1103 B9R1.1 NC[C@H]1CC[C@@H](O)CC1 P45002 [0,1,0,1,0,0|1,0,0]=3 1104 B9R1.1 NC[C@H]1CC[C@H](F)CC1 P47115 [0,1,0,1,0,0|1,0,0]=3 1105 B9R1.1 NC[C@H]1CC[C@H](O)CC1 I-9344 [0,1,0,1,0,0|1,0,0]=3 1106 B9R1.1 NC[C@H]1CC[C@H](O)CC1 Q52032 [0,1,0,1,0,0|1,0,0]=3 1107 B9R1.1 N[C@H]1CC[C@@H](CO)CC1 G-6713 [0,1,0,1,0,0|0,0,0]=2 1108 B9R1.1 N[C@H]1CC[C@@H](CO)CC1 P44180 [0,1,0,1,0,0|0,0,0]=2 1109 B9R1.1 N[C@H]1CC[C@H](CF)CC1 P47760 [0,1,0,1,0,0|1,0,0]=3 1110 B9R1.1 N[C@H]1CC[C@H](CO)CC1 G-6714 [0,1,0,1,0,0|0,0,0]=2 1111 B9R1.1 N[C@H]1CC[C@H](CO)CC1 P44327 [0,1,0,1,0,0|0,0,0]=2 1112 B9R1.1 O=C1CCC(CO)CC1 O32541 [0,1,0,1,0,0|0,0,1]=3 1113 B9R1.1 O=C1CCC(CO)CN1 H-8442 [0,1,0,1,0,0|1,0,1]=4 1114 B9R1.1 O=C[C@H]1CC[C@H](F)CC1 S72521 [0,1,0,1,0,0|0,0,2]=4 1115 B9R1.1 O=C[C@H]1CC[C@H](O)CC1 P48925 [0,1,0,1,0,0|0,0,2]=4 1116 B9R1.1 OCC1CCC(O)CC1 P45738 [0,1,0,1,0,0|0,0,0]=2 1117 B9R1.1 OC[C@H]1CC[C@@H](F)CC1 P47182 [0,1,0,1,0,0|0,0,0]=2 1118 B9R1.1 OC[C@H]1CC[C@@H](O)CC1 P45690 [0,1,0,1,0,0|0,0,0]=2 1119 B9R1.1 OC[C@H]1CC[C@H](F)CC1 P47209 [0,1,0,1,0,0|0,0,0]=2 1120 B9R1.1 OC[C@H]1CC[C@H](O)CC1 P45689 [0,1,0,1,0,0|0,0,0]=2 1121 B9R1.3 CC1CCCC(=O)C1C Q59611 [0,1,0,1,0,0|0,0,2]=4 1122 B9R1.3 CC1CCCC(C)C1N P44629 [0,1,0,1,0,0|1,0,0]=3 1123 B9R1.3 C[C@@H]1[C@H](N)CCCN1C Q64625 [0,1,0,1,0,0|2,0,0]=4 1124 B9R1.3 C[C@H]1[C@@H](N)CCCN1C Q64624 [0,1,0,1,0,0|2,0,0]=4 1125 B9R1.11 NCC(=O)C1CCCC1 L19802 [0,1,0,1,0,0|1,0,1]=4 1126 B9R1.21 CO[C@@H]1CN[C@@H](CO)C1 Q64382 [0,1,0,1,0,0|2,0,0]=4 1127 B9R1.21 CO[C@@H]1CN[C@H](CO)C1 Q64381 [0,1,0,1,0,0|2,0,0]=4 1128 B9R1.21 CO[C@H]1CN[C@@H](CO)C1 Q64380 [0,1,0,1,0,0|2,0,0]=4 1129 B9R1.21 CO[C@H]1CN[C@H](CO)C1 Q64383 [0,1,0,1,0,0|2,0,0]=4 1130 B9R1.21 OCC1CCC(CO)N1 Q61970 [0,1,0,1,0,0|1,0,0]=3 1131 B9R1.79 CC(CO)NC1CCC1 P49158 [0,1,0,1,0,0|1,0,0]=3 1132 B9R1.79 C[C@@H](CO)NC1CSC1 Q59054 [0,1,0,1,0,0|2,0,0]=4 1133 B9R1.79 C[C@H](CO)NC1CSC1 Q59051 [0,1,0,1,0,0|2,0,0]=4 1134 B9R1.79 O=C(CBr)CC1CCC1 P47346 [0,1,0,1,0,0|1,0,1]=4 1135 B9R1.88 COC(=O)[C@H]1C[C@@H]1CO Q54349 [0,1,0,1,0,0|1,0,1]=4 1136 B9R1.118 CC1(C=O)CCCCC1 O31789 [0,1,0,1,0,0|0,0,2]=4 1137 B9R1.118 CC1(CBr)CCCCC1 Q59533 [0,1,0,1,0,0|1,0,0]=3 1138 B9R1.118 CC1(CBr)CCNCC1 Q55054 [0,1,0,1,0,0|2,0,0]=4 1139 B9R1.118 CC1(CBr)CCOCC1 Q57827 [0,1,0,1,0,0|2,0,0]=4 1140 B9R1.118 CC1(CF)CCCNC1 Q64998 [0,1,0,1,0,0|2,0,0]=4 1141 B9R1.118 CC1(CN)CCCOC1 Q57661 [0,1,0,1,0,0|2,0,0]=4 1142 B9R1.118 CC1(CN)CCOCC1 L14134 [0,1,0,1,0,0|2,0,0]=4 1143 B9R1.118 CC1(CN)CCSCC1 Q61457 [0,1,0,1,0,0|2,0,0]=4 1144 B9R1.118 CC1(CN)OCCCO1 L20692 [0,1,0,1,0,0|2,0,0]=4 1145 B9R1.118 CC1(CO)CCCCC1 P41365 [0,1,0,1,0,0|0,0,0]=2 1146 B9R1.118 CC1(CO)CCCNC1 C-2935 [0,1,0,1,0,0|1,0,0]=3 1147 B9R1.118 CC1(CO)CCNCC1 G-6160 [0,1,0,1,0,0|1,0,0]=3 1148 B9R1.118 CC1(CO)CCSCC1 Q61456 [0,1,0,1,0,0|1,0,0]=3 1149 B9R1.118 CCC1(N)CCCCC1 Q59746 [0,1,0,1,0,0|1,0,0]=3 1150 B9R1.118 CCC1(N)CCCOC1 Q61496 [0,1,0,1,0,0|2,0,0]=4 1151 B9R1.118 CCC1(N)CCOCC1 L14322 [0,1,0,1,0,0|2,0,0]=4 1152 B9R1.118 CCC1(N)CCOCC1 Q61428 [0,1,0,1,0,0|2,0,0]=4 1153 B9R1.118 CCC1(N)CCSCC1 Q61459 [0,1,0,1,0,0|2,0,0]=4 1154 B9R1.118 CCC1(O)CCCOC1 Q61497 [0,1,0,1,0,0|2,0,0]=4 1155 B9R1.118 CCC1(O)CCNCC1 D-2559 [0,1,0,1,0,0|2,0,0]=4 1156 B9R1.118 CCC1(O)CCNCC1 L13716 [0,1,0,1,0,0|2,0,0]=4 1157 B9R1.118 C[C@@]1(CO)CCCNC1 Q56833 [0,1,0,1,0,0|1,0,0]=3 1158 B9R1.118 C[C@]1(CO)CCCNC1 Q56832 [0,1,0,1,0,0|1,0,0]=3 1159 B9R1.118 FC1(CBr)CCOCC1 Q64217 [0,1,0,1,0,0|2,0,0]=4 1160 B9R1.118 FCC1(F)CCCNC1 Q64996 [0,1,0,1,0,0|2,0,0]=4 1161 B9R1.118 FC[C@]1(F)CCCNC1 Q64990 [0,1,0,1,0,0|2,0,0]=4 1162 B9R1.118 NC1(CF)CCOCC1 Q64314 [0,1,0,1,0,0|2,0,0]=4 1163 B9R1.118 NC1(CO)CCCCC1 P37508 [0,1,0,1,0,0|0,0,0]=2 1164 B9R1.118 NC1(CO)CCNCC1 Q52607 [0,1,0,1,0,0|1,0,0]=3 1165 B9R1.118 NC1(CO)CCNCC1 Q52608 [0,1,0,1,0,0|1,0,0]=3 1166 B9R1.118 NC1(CO)CCOCC1 G-6353 [0,1,0,1,0,0|1,0,0]=3 1167 B9R1.118 NC1(CO)CCOCC1 G-7270 [0,1,0,1,0,0|1,0,0]=3 1168 B9R1.118 NC1(CO)CCSCC1 Q57923 [0,1,0,1,0,0|1,0,0]=3 1169 B9R1.118 NC1(CO)CCSCC1 Q57924 [0,1,0,1,0,0|1,0,0]=3 1170 B9R1.118 NCC1(F)CCCOC1 Q62670 [0,1,0,1,0,0|2,0,0]=4 1171 B9R1.118 NCC1(F)CCOCC1 G-7935 [0,1,0,1,0,0|2,0,0]=4 1172 B9R1.118 NCC1(N)CCOCC1 Q63006 [0,1,0,1,0,0|2,0,0]=4 1173 B9R1.118 NCC1(O)CCCOC1 Q52147 [0,1,0,1,0,0|2,0,0]=4 1174 B9R1.118 NCC1(O)CCNCC1 Q57563 [0,1,0,1,0,0|2,0,0]=4 1175 B9R1.118 NCC1(O)CCOCC1 A-569 [0,1,0,1,0,0|2,0,0]=4 1176 B9R1.118 NCC1(O)CCOCC1 I-9221 [0,1,0,1,0,0|2,0,0]=4 1177 B9R1.118 OC1(CBr)CCCCC1 L20240 [0,1,0,1,0,0|1,0,0]=3 1178 B9R1.118 OC1(CBr)CCOCC1 Q64214 [0,1,0,1,0,0|2,0,0]=4 1179 B9R1.118 OC1(CF)CCCNC1 Q65000 [0,1,0,1,0,0|2,0,0]=4 1180 B9R1.118 OC1(CF)CCNCC1 G-6162 [0,1,0,1,0,0|2,0,0]=4 1181 B9R1.118 OCC1(Cl)CCOCC1 Q64452 [0,1,0,1,0,0|1,0,0]=3 1182 B9R1.118 OCC1(F)CCCCC1 P49673 [0,1,0,1,0,0|0,0,0]=2 1183 B9R1.118 OCC1(F)CCCOC1 Q52411 [0,1,0,1,0,0|1,0,0]=3 1184 B9R1.118 OCC1(F)CCNCC1 G-5484 [0,1,0,1,0,0|1,0,0]=3 1185 B9R1.118 OCC1(F)CCNCC1 Q69957 [0,1,0,1,0,0|1,0,0]=3 1186 B9R1.118 OCC1(F)CCOCC1 G-6354 [0,1,0,1,0,0|1,0,0]=3 1187 B9R1.118 OCC1(O)CCCNC1 G-6425 [0,1,0,1,0,0|1,0,0]=3 1188 B9R1.118 OCC1(O)CCNCC1 C-2422 [0,1,0,1,0,0|1,0,0]=3 1189 B9R1.118 OCC1(O)CCOCC1 Q64448 [0,1,0,1,0,0|1,0,0]=3 1190 B9R1.118 OC[C@@]1(F)CCCNC1 Q52744 [0,1,0,1,0,0|1,0,0]=3 1191 B9R1.118 OC[C@]1(F)CCCNC1 Q52745 [0,1,0,1,0,0|1,0,0]=3 1192 B9R1.132 CN1C(=O)CCC1CO M23749 [0,1,0,1,0,0|1,0,1]=4 1193 B9R1.132 CN1C(=O)CC[C@@H]1CO Q64630 [0,1,0,1,0,0|1,0,1]=4 1194 B9R1.132 CN1C(=O)CC[C@H]1CO Q64629 [0,1,0,1,0,0|1,0,1]=4 1195 B9R1.6 CC(=O)C1CCCCC1 I-9265 [0,1,0,1,0,0|0,0,2]=4 1196 B9R1.6 CC(=O)C1CCCCN1 O30407 [0,1,0,1,0,0|1,0,1]=4 1197 B9R1.6 CC(=O)C1CCCCN1 O30418 [0,1,0,1,0,0|1,0,1]=4 1198 B9R1.6 CC(C)C1CCNCC1 P43343 [0,1,0,1,0,0|2,0,0]=4 1199 B9R1.6 CC(C)C1CNCCN1 P35854 [0,1,0,1,0,0|2,0,0]=4 1200 B9R1.6 CC(C)C1CNCCO1 B-1072 [0,1,0,1,0,0|1,0,0]=3 1201 B9R1.6 CC(C)C1COCCN1 F-4067 [0,1,0,1,0,0|2,0,0]=4 1202 B9R1.6 CC(C)[C@@H]1CNCCO1 B-1074 [0,1,0,1,0,0|1,0,0]=3 1203 B9R1.6 CC(C)[C@@H]1COCCN1 B-1067 [0,1,0,1,0,0|2,0,0]=4 1204 B9R1.6 CC(C)[C@@H]1COCCN1 O28330 [0,1,0,1,0,0|2,0,0]=4 1205 B9R1.6 CC(C)[C@H]1CNCCO1 B-1073 [0,1,0,1,0,0|1,0,0]=3 1206 B9R1.6 CC(C)[C@H]1COCCN1 B-1068 [0,1,0,1,0,0|2,0,0]=4 1207 B9R1.6 CC(C)[C@H]1COCCN1 O28323 [0,1,0,1,0,0|2,0,0]=4 1208 B9R1.6 CC(N)C1CCCCC1 M23210 [0,1,0,1,0,0|1,0,0]=3 1209 B9R1.6 CC(N)C1CCCCO1 Q57678 [0,1,0,1,0,0|0,0,0]=2 1210 B9R1.6 CC(N)C1CCCOC1 Q57833 [0,1,0,1,0,0|2,0,0]=4 1211 B9R1.6 CC(N)C1CCCOC1 Q57834 [0,1,0,1,0,0|2,0,0]=4 1212 B9R1.6 CC(N)C1CCOCC1 Q66046 [0,1,0,1,0,0|2,0,0]=4 1213 B9R1.6 CC(O)C1CCCCC1 P42370 [0,1,0,1,0,0|0,0,0]=2 1214 B9R1.6 C[C@@H](N)C1CCCCO1 Q57872 [0,1,0,1,0,0|0,0,0]=2 1215 B9R1.6 C[C@@H](N)C1CCCCO1 Q57873 [0,1,0,1,0,0|0,0,0]=2 1216 B9R1.6 C[C@@H](N)C1CCOCC1 Q63002 [0,1,0,1,0,0|2,0,0]=4 1217 B9R1.6 C[C@@H](N)C1CCOCC1 Q63003 [0,1,0,1,0,0|2,0,0]=4 1218 B9R1.6 C[C@@H](O)C1CCOCC1 Q54596 [0,1,0,1,0,0|1,0,0]=3 1219 B9R1.6 C[C@H](N)C1CCCOC1 Q57835 [0,1,0,1,0,0|2,0,0]=4 1220 B9R1.6 C[C@H](N)C1CCOCC1 Q63000 [0,1,0,1,0,0|2,0,0]=4 1221 B9R1.6 C[C@H](N)C1CCOCC1 Q63001 [0,1,0,1,0,0|2,0,0]=4 1222 B9R1.6 C[C@H](O)C1CCOCC1 Q54595 [0,1,0,1,0,0|1,0,0]=3 1223 B9R1.6 FC(F)C1CCCCN1 Q57442 [0,1,0,1,0,0|2,0,0]=4 1224 B9R1.6 FC(F)C1CCCNC1 M23915 [0,1,0,1,0,0|2,0,0]=4 1225 B9R1.6 FC(F)C1CCNCC1 G-6163 [0,1,0,1,0,0|2,0,0]=4 1226 B9R1.6 FC(F)[C@@H]1CCCNC1 Q65003 [0,1,0,1,0,0|2,0,0]=4 1227 B9R1.6 FC(F)[C@H]1CCCNC1 Q65001 [0,1,0,1,0,0|2,0,0]=4 1228 B9R1.6 O=C(O)C1CCCCS1 Q57885 [0,1,0,1,0,0|1,0,1]=4 1229 B9R1.6 O=C(O)C1CCCNC1 Q68914 [0,1,0,1,0,0|1,0,1]=4 1230 B9R1.6 O=C(O)C1CCCNC1 Q68915 [0,1,0,1,0,0|1,0,1]=4 1231 B9R1.6 O=C(O)C1CCCOC1 C-3481 [0,1,0,1,0,0|1,0,1]=4 1232 B9R1.6 O=C(O)C1CCCSC1 G-5680 [0,1,0,1,0,0|1,0,1]=4 1233 B9R1.6 O=C(O)C1CCOCC1 C-3267 [0,1,0,1,0,0|1,0,1]=4 1234 B9R1.6 O=C(O)C1CCSCC1 I-9620 [0,1,0,1,0,0|1,0,1]=4 1235 B9R1.6 O=C(O)[C@@H]1CCCCO1 L18365 [0,1,0,1,0,0|1,0,1]=4 1236 B9R1.6 O=C(O)[C@@H]1CCCOC1 Q63448 [0,1,0,1,0,0|1,0,1]=4 1237 B9R1.6 O=C(O)[C@H]1CCCCO1 L21810 [0,1,0,1,0,0|1,0,1]=4 1238 B9R1.6 O=C(O)[C@H]1CCCOC1 Q63449 [0,1,0,1,0,0|1,0,1]=4 1239 B9R1.13 CC(C)CC1CCNC1 S72560 [0,1,0,1,0,0|2,0,0]=4 1240 B9R1.13 CC(N)CN1CCCC1 P37759 [0,1,0,1,0,0|2,0,0]=4 1241 B9R1.13 CC(O)CC1CCCN1 Q59227 [0,1,0,1,0,0|1,0,0]=3 1242 B9R1.13 CN(C)CC1CCCN1 O28921 [0,1,0,1,0,0|2,0,0]=4 1243 B9R1.13 CN(C)C[C@@H]1CCCN1 L22126 [0,1,0,1,0,0|2,0,0]=4 1244 B9R1.13 CN(C)C[C@H]1CCCN1 I-9768 [0,1,0,1,0,0|2,0,0]=4 1245 B9R1.13 O=C(Cl)CC1CCCO1 L21210 [0,1,0,1,0,0|1,0,1]=4 1246 B9R1.13 O=C(O)CC1CCCN1 P36438 [0,1,0,1,0,0|1,0,1]=4 1247 B9R1.13 O=C(O)CC1CCCN1 P51099 [0,1,0,1,0,0|1,0,1]=4 1248 B9R1.13 O=C(O)CC1CCNC1 G-6773 [0,1,0,1,0,0|1,0,1]=4 1249 B9R1.13 O=C(O)CC1CCNC1 M22656 [0,1,0,1,0,0|1,0,1]=4 1250 B9R1.13 O=C(O)CC1CCOC1 A-556 [0,1,0,1,0,0|1,0,1]=4 1251 B9R1.13 O=C(O)CN1CCCC1 10114 [0,1,0,1,0,0|1,0,1]=4 1252 B9R1.13 O=C(O)C[C@@H]1CCCN1 P37561 [0,1,0,1,0,0|1,0,1]=4 1253 B9R1.13 O=C(O)C[C@@H]1CCCN1 Q68982 [0,1,0,1,0,0|1,0,1]=4 1254 B9R1.13 O=C(O)C[C@@H]1CCNC1 L21906 [0,1,0,1,0,0|1,0,1]=4 1255 B9R1.13 O=C(O)C[C@H]1CCCN1 P38072 [0,1,0,1,0,0|1,0,1]=4 1256 B9R1.13 O=C(O)C[C@H]1CCCN1 P51185 [0,1,0,1,0,0|1,0,1]=4 1257 B9R1.13 O=C(O)C[C@H]1CCOC1 Q55020 [0,1,0,1,0,0|1,0,1]=4 1258 B9R1.13 OB(O)CC1CCCC1 Q68859 [0,1,0,1,0,0|1,0,0]=3 1259 B9R1.24 CCC1CNCC1(F)F Q61813 [0,1,0,1,0,0|2,0,0]=4 1260 B9R1.24 NCC1CCCC1(F)F Q57437 [0,1,0,1,0,0|2,0,0]=4 1261 B9R1.24 OCC1CNCC1(F)F Q64885 [0,1,0,1,0,0|2,0,0]=4 1262 B9R1.24 OCC1NCCC1(F)F P47163 [0,1,0,1,0,0|2,0,0]=4 1263 B9R1.24 OCC1NCCC1(F)F Q59331 [0,1,0,1,0,0|2,0,0]=4 1264 B9R1.40 CC1(C)CCCCC1=O P49436 [0,1,0,1,0,0|0,0,2]=4 1265 B9R1.40 CC1(C)CNCCC1F Q54413 [0,1,0,1,0,0|2,0,0]=4 1266 B9R1.40 CC1(C)CNCCC1N Q62760 [0,1,0,1,0,0|2,0,0]=4 1267 B9R1.40 CC1(C)CNCCC1O G-7990 [0,1,0,1,0,0|1,0,0]=3 1268 B9R1.40 CC1(C)CNCC[C@@H]1N Q62761 [0,1,0,1,0,0|2,0,0]=4 1269 B9R1.40 CC1(C)CNCC[C@H]1N Q62762 [0,1,0,1,0,0|2,0,0]=4 1270 B9R1.40 CC1(C)COCCC1N I-9296 [0,1,0,1,0,0|2,0,0]=4 1271 B9R1.40 CC1(C)COCCC1O P51624 [0,1,0,1,0,0|1,0,0]=3 1272 B9R1.40 CC1(C)COCC[C@@H]1N Q63326 [0,1,0,1,0,0|2,0,0]=4 1273 B9R1.40 CC1(C)COCC[C@H]1N Q63325 [0,1,0,1,0,0|2,0,0]=4 1274 B9R1.40 CC1(O)CCCCC1N Q59554 [0,1,0,1,0,0|1,0,0]=3 1275 B9R1.40 CC1(O)CNCCC1O Q61163 [0,1,0,1,0,0|1,0,0]=3 1276 B9R1.40 CC1CCCCC1(C)O Q59744 [0,1,0,1,0,0|0,0,0]=2 1277 B9R1.40 CC1CCNCC1(F)F L22320 [0,1,0,1,0,0|2,0,0]=4 1278 B9R1.40 CC1CNCCC1(F)F Q63712 [0,1,0,1,0,0|2,0,0]=4 1279 B9R1.40 CC1CNCCC1(F)F Q63713 [0,1,0,1,0,0|2,0,0]=4 1280 B9R1.40 C[C@@]1(O)CNCC[C@@H]1O K12445 [0,1,0,1,0,0|1,0,0]=3 1281 B9R1.40 C[C@@]1(O)CNCC[C@H]1O K12446 [0,1,0,1,0,0|1,0,0]=3 1282 B9R1.40 C[C@@]1(O)CNCC[C@H]1O Q61167 [0,1,0,1,0,0|1,0,0]=3 1283 B9R1.40 C[C@]1(O)CNCC[C@H]1O Q61166 [0,1,0,1,0,0|1,0,0]=3 1284 B9R1.40 N[C@@H]1CCCCC1(F)F L13830 [0,1,0,1,0,0|2,0,0]=4 1285 B9R1.40 N[C@@H]1CCCCC1(F)F P47441 [0,1,0,1,0,0|2,0,0]=4 1286 B9R1.40 N[C@H]1CCCCC1(F)F L13829 [0,1,0,1,0,0|2,0,0]=4 1287 B9R1.40 OC1(O)CCOCC1F I-9118 [0,1,0,1,0,0|2,0,0]=4 1288 B9R1.40 OC1CCCCC1(F)F P47901 [0,1,0,1,0,0|1,0,0]=3 1289 B9R1.40 OC1CCNCC1(F)F G-6410 [0,1,0,1,0,0|2,0,0]=4 1290 B9R1.40 OC1CCNCC1(F)F I-9561 [0,1,0,1,0,0|2,0,0]=4 1291 B9R1.40 OC1CNCCC1(F)F L13365 [0,1,0,1,0,0|2,0,0]=4 1292 B9R1.40 OC1CNCCC1(F)F Q57440 [0,1,0,1,0,0|2,0,0]=4 1293 B9R1.40 O[C@@H]1CNCCC1(F)F Q52753 [0,1,0,1,0,0|2,0,0]=4 1294 B9R1.40 O[C@H]1CNCCC1(F)F Q65203 [0,1,0,1,0,0|2,0,0]=4 1295 B9R1.41 CC1CCNC1C(=O)O Q57359 [0,1,0,1,0,0|1,0,1]=4 1296 B9R1.41 CC1CCNC1C(=O)O Q57360 [0,1,0,1,0,0|1,0,1]=4 1297 B9R1.41 CC1CNCC1C(=O)O Q59247 [0,1,0,1,0,0|1,0,1]=4 1298 B9R1.41 CN(C)[C@@H]1CCC[C@@H]1O K10850 [0,1,0,1,0,0|1,0,0]=3 1299 B9R1.41 CN(C)[C@@H]1CNC[C@H]1O Q61913 [0,1,0,1,0,0|2,0,0]=4 1300 B9R1.41 CN1CCCC1C(=O)O M22685 [0,1,0,1,0,0|1,0,1]=4 1301 B9R1.41 CN1CCC[C@@H]1C(=O)O P36536 [0,1,0,1,0,0|1,0,1]=4 1302 B9R1.41 CN1CCC[C@@H]1C(=O)O P37259 [0,1,0,1,0,0|1,0,1]=4 1303 B9R1.41 CN1CCC[C@H]1C(=O)O I-9166 [0,1,0,1,0,0|1,0,1]=4 1304 B9R1.41 CN1CCC[C@H]1C(=O)O O28625 [0,1,0,1,0,0|1,0,1]=4 1305 B9R1.41 CN1CCC[C@H]1C(=O)O P37937 [0,1,0,1,0,0|1,0,1]=4 1306 B9R1.41 C[C@H]1CNC[C@@H]1C(=O)O Q62191 [0,1,0,1,0,0|1,0,1]=4 1307 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O Q61718 [0,1,0,1,0,0|1,0,1]=4 1308 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O H-8160 [0,1,0,1,0,0|1,0,1]=4 1309 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O Q61730 [0,1,0,1,0,0|1,0,1]=4 1310 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O Q61731 [0,1,0,1,0,0|1,0,1]=4 1311 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O H-8161 [0,1,0,1,0,0|1,0,1]=4 1312 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O F-4802 [0,1,0,1,0,0|1,0,1]=4 1313 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O Q52546 [0,1,0,1,0,0|1,0,1]=4 1314 B9R1.41 O=C(O)C1CCCC1O Q59153 [0,1,0,1,0,0|1,0,1]=4 1315 B9R1.41 O=C(O)[C@@H]1CCC[C@@H]1F Q63425 [0,1,0,1,0,0|1,0,1]=4 1316 B9R1.41 O=C(O)[C@@H]1CCC[C@@H]1O Q63421 [0,1,0,1,0,0|1,0,1]=4 1317 B9R1.41 O=C(O)[C@@H]1CCC[C@H]1F Q63426 [0,1,0,1,0,0|1,0,1]=4 1318 B9R1.41 O=C(O)[C@@H]1CCC[C@H]1O Q63422 [0,1,0,1,0,0|1,0,1]=4 1319 B9R1.41 O=C(O)[C@H]1CCC[C@@H]1F Q63427 [0,1,0,1,0,0|1,0,1]=4 1320 B9R1.41 O=C(O)[C@H]1CCC[C@@H]1O Q63423 [0,1,0,1,0,0|1,0,1]=4 1321 B9R1.41 O=C(O)[C@H]1CCC[C@H]1F Q63424 [0,1,0,1,0,0|1,0,1]=4 1322 B9R1.41 O=C(O)[C@H]1CCC[C@H]1O Q63420 [0,1,0,1,0,0|1,0,1]=4 1323 B9R1.56 CNCC1CCC1(F)F P47181 [0,1,0,1,0,0|2,0,0]=4 1324 B9R1.67 CC(=O)OC1CCC1O P49892 [0,1,0,1,0,0|1,0,1]=4 1325 B9R1.67 CC1CCN1CC(=O)O P47040 [0,1,0,1,0,0|1,0,1]=4 1326 B9R1.67 CC1CCN1CC(=O)O P47963 [0,1,0,1,0,0|1,0,1]=4 1327 B9R1.84 CC(C)NCC1CCC1 P47037 [0,1,0,1,0,0|2,0,0]=4 1328 B9R1.84 CC(C)NCC1CCC1 P49825 [0,1,0,1,0,0|2,0,0]=4 1329 B9R1.84 CC(O)CNC1CCC1 P49156 [0,1,0,1,0,0|1,0,0]=3 1330 B9R1.84 CC(O)CNC1CSC1 Q58987 [0,1,0,1,0,0|2,0,0]=4 1331 B9R1.84 FC(F)CNC1CCC1 P49993 [0,1,0,1,0,0|2,0,0]=4 1332 B9R1.84 FC(F)CNC1CCC1 P49994 [0,1,0,1,0,0|2,0,0]=4 1333 B9R1.84 O=C(O)CCC1CCC1 P34709 [0,1,0,1,0,0|0,0,1]=3 1334 B9R1.84 O=C(O)CCC1CCO1 Q58424 [0,1,0,1,0,0|1,0,1]=4 1335 B9R1.84 O=C(O)CNC1CCC1 I-9681 [0,1,0,1,0,0|1,0,1]=4 1336 B9R1.84 O=C(O)COC1CCC1 P44175 [0,1,0,1,0,0|1,0,1]=4 1337 B9R1.84 O=C([O-])CCC1CCO1 Q57244 [0,1,0,1,0,0|1,0,1]=4 1338 B9R1.85 O=C(O)COCC1CC1 P39397 [0,1,0,1,0,0|1,0,1]=4 1339 B9R1.86 CCC1CC1CC(=O)O O32172 [0,1,0,1,0,0|0,0,1]=3 1340 B9R1.96 CC(=O)N1CCC1CO P46183 [0,1,0,1,0,0|1,0,1]=4 1341 B9R1.96 CC(=O)N1CC[C@@H]1CO P46139 [0,1,0,1,0,0|1,0,1]=4 1342 B9R1.96 CC(=O)N1CC[C@H]1CO P46142 [0,1,0,1,0,0|1,0,1]=4 1343 B9R1.96 CCC1CCC1C(=O)O P47971 [0,1,0,1,0,0|0,0,1]=3 1344 B9R1.96 CCC1CN[C@@H]1C(=O)O L21366 [0,1,0,1,0,0|1,0,1]=4 1345 B9R1.96 CCN1CCC1C(=O)O P48309 [0,1,0,1,0,0|1,0,1]=4 1346 B9R1.96 CCN1CC[C@H]1C(=O)O L14215 [0,1,0,1,0,0|1,0,1]=4 1347 B9R1.96 CN(C)C1CCC1CO P46904 [0,1,0,1,0,0|1,0,0]=3 1348 B9R1.96 CN(C)[C@@H]1CC[C@H]1CO P50275 [0,1,0,1,0,0|1,0,0]=3 1349 B9R1.96 CN(C)[C@H]1CC[C@H]1CO P50818 [0,1,0,1,0,0|1,0,0]=3 1350 B9R1.96 CO[C@@H]1CC[C@@H]1C(=O)O P50796 [0,1,0,1,0,0|1,0,1]=4 1351 B9R1.96 CO[C@@H]1CC[C@H]1C(=O)O P48367 [0,1,0,1,0,0|1,0,1]=4 1352 B9R1.96 NCC1CCC1C(F)F P48306 [0,1,0,1,0,0|2,0,0]=4 1353 B9R1.96 O=C(O)C1CCC1CF P48305 [0,1,0,1,0,0|1,0,1]=4 1354 B9R1.148 CC1(O)CCCNCC1 G-5238 [0,1,0,1,0,0|1,0,0]=3 1355 B9R1.148 CC1(O)CCCNCC1 G-5238-01 [0,1,0,1,0,0|1,0,0]=3 1356 B9R1.148 FC1(F)CCCNCC1 C-2752 [0,1,0,1,0,0|2,0,0]=4 1357 B9R2.24 FC1[C@@H]2CO[C@H]1CN2 P47704 [0,0,0,2,0,0|2,0,0]=4 1358 B9R2.24 FC1[C@H]2CO[C@@H]1CN2 P50326 [0,0,0,2,0,0|2,0,0]=4 1359 B9R2.24 NC1C2CCC1CC2 P45717 [0,0,0,2,0,0|1,0,0]=3 1360 B9R2.24 O=C1C2CCC1CC2 P49961 [0,0,0,2,0,0|0,0,2]=4 1361 B9R2.24 OC1C2C=CC1CC2 P45500 [0,0,0,2,0,0|0,0,2]=4 1362 B9R2.24 OC1C2CCC1CC2 P45884 [0,0,0,2,0,0|0,0,0]=2 1363 B9R2.24 OC1C2COC1CN2 P46924 [0,0,0,2,0,0|2,0,0]=4 1364 B9R2.24 OC1[C@@H]2CO[C@H]1CN2 P49376 [0,0,0,2,0,0|2,0,0]=4 1365 B9R2.24 OC1[C@H]2CO[C@@H]1CN2 P45258 [0,0,0,2,0,0|2,0,0]=4 1366 B9R2.47 NCC1CC2CC2C1 Q62573 [0,0,0,2,0,0|1,0,0]=3 1367 B9R2.47 O=CC1CC2CC2C1 Q57293 [0,0,0,2,0,0|0,0,2]=4 1368 B9R2.47 OC[C@@H]1C[C@@H]2O[C@@H]2C1 Q61890 [0,0,0,2,0,0|1,0,0]=3 1369 B9R2.49 C1CC2CCC1CN2 G-7237 [0,0,0,2,0,0|1,0,0]=3 1370 B9R2.49 C1CC2CCC1CN2 I-9790 [0,0,0,2,0,0|1,0,0]=3 1371 B9R2.49 C1CC2CNC1CN2 P45349 [0,0,0,2,0,0|2,0,0]=4 1372 B9R2.49 C1CC2CNC1CO2 F-4826 [0,0,0,2,0,0|1,0,0]=3 1373 B9R2.49 C1CC2CNC1CO2 G-7378 [0,0,0,2,0,0|1,0,0]=3 1374 B9R2.49 C1CC2CNC1CO2 P46194 [0,0,0,2,0,0|1,0,0]=3 1375 B9R2.49 C1CC2CNC1CO2 P46621 [0,0,0,2,0,0|1,0,0]=3 1376 B9R2.49 C1CC2CNC1CO2 Q56526 [0,0,0,2,0,0|1,0,0]=3 1377 B9R2.49 C1C[C@@H]2CN[C@H]1CO2 Q57044 [0,0,0,2,0,0|1,0,0]=3 1378 B9R2.49 C1C[C@@H]2CN[C@H]1CO2 Q57045 [0,0,0,2,0,0|1,0,0]=3 1379 B9R2.49 C1C[C@H]2CN[C@@H]1CO2 Q57046 [0,0,0,2,0,0|1,0,0]=3 1380 B9R2.50 C1CC2COC2CN1 Q58396 [0,0,0,2,0,0|1,0,0]=3 1381 B9R2.50 C1CC2OCC2CN1 Q58400 [0,0,0,2,0,0|1,0,0]=3 1382 B9R2.50 C1CC[C@H]2NC[C@H]2C1 Q58793 [0,0,0,2,0,0|1,0,0]=3 1383 B9R2.50 C1CN2CCC2CN1 H-8103 [0,0,0,2,0,0|2,0,0]=4 1384 B9R2.50 C1CNC2CNC2C1 Q56383 [0,0,0,2,0,0|2,0,0]=4 1385 B9R2.53 FC1C2CNCC1C2 P46881 [0,0,0,2,0,0|2,0,0]=4 1386 B9R2.53 OC1C2CNCC1C2 F-4015 [0,0,0,2,0,0|1,0,0]=3 1387 B9R2.53 OC1C2CNCC1C2 P48426 [0,0,0,2,0,0|1,0,0]=3 1388 B9R2.56 NCC12COCC1C2 Q56928 [0,0,0,2,0,0|2,0,0]=4 1389 B9R2.56 NC[C@@]12COC[C@@H]1C2 Q62755 [0,0,0,2,0,0|2,0,0]=4 1390 B9R2.56 NC[C@]12COC[C@H]1C2 Q62754 [0,0,0,2,0,0|2,0,0]=4 1391 B9R2.56 OCC12CNCC1C2 G-5073 [0,0,0,2,0,0|1,0,0]=3 1392 B9R2.56 OCC12CNCC1C2 L13302 [0,0,0,2,0,0|1,0,0]=3 1393 B9R2.56 OCC12COCC1C2 Q55609 [0,0,0,2,0,0|1,0,0]=3 1394 B9R2.56 OC[C@@]12COC[C@@H]1C2 Q62753 [0,0,0,2,0,0|1,0,0]=3 1395 B9R2.56 OC[C@]12COC[C@H]1C2 Q62752 [0,0,0,2,0,0|1,0,0]=3 1396 B9R2.65 C(=O)C1C2CCOC21 Q64152 [0,0,0,2,0,0|1,0,1]=4 1397 B9R2.65 FCC1C2CNCC12 Q64229 [0,0,0,2,0,0|2,0,0]=4 1398 B9R2.65 NCC1C2CCOC12 Q64153 [0,0,0,2,0,0|1,0,0]=3 1399 B9R2.65 OCC1C2CCOC12 Q62805 [0,0,0,2,0,0|1,0,0]=3 1400 B9R2.65 OCC1C2CNCC12 G-7563 [0,0,0,2,0,0|1,0,0]=3 1401 B9R2.65 OCC1C2CNCC12 O33009 [0,0,0,2,0,0|1,0,0]=3 1402 B9R2.65 OCC1C2COCC12 F-4895 [0,0,0,2,0,0|1,0,0]=3 1403 B9R2.65 [C@@H]12CNC[C@@H]1[C@@H]2CF Q64230 [0,0,0,2,0,0|2,0,0]=4 1404 B9R2.65 [C@@H]12CNC[C@@H]1[C@@H]2CO Q52071 [0,0,0,2,0,0|1,0,0]=3 1405 B9R2.65 [C@@H]12CNC[C@@H]1[C@H]2CF Q64225 [0,0,0,2,0,0|2,0,0]=4 1406 B9R2.65 [C@@H]12COC[C@@H]1C2CO H-8001 [0,0,0,2,0,0|1,0,0]=3 1407 B9R2.65 [C@@H]12COC[C@@H]1C2CO H-8002 [0,0,0,2,0,0|1,0,0]=3 1408 B9R2.65 [C@@H]12COC[C@@H]1[C@H]2CN H-8005 [0,0,0,2,0,0|2,0,0]=4 1409 B9R2.65 [C@@H]12COC[C@@H]1[C@H]2CN P46446 [0,0,0,2,0,0|2,0,0]=4 1410 B9R2.68 C1CC2CC(CN2)N1 P50121 [0,0,0,2,0,0|2,0,0]=4 1411 B9R2.68 C1CC2CCC(C1)N2 G-5152 [0,0,0,2,0,0|1,0,0]=3 1412 B9R2.68 C1CC2CCC(C1)N2 P44257 [0,0,0,2,0,0|1,0,0]=3 1413 B9R2.68 C1CC2CNCC1C2 P45836 [0,0,0,2,0,0|2,0,0]=4 1414 B9R2.68 C1CC2CNCC1C2 P46259 [0,0,0,2,0,0|2,0,0]=4 1415 B9R2.68 C1CC2CNCC1O2 A-860 [0,0,0,2,0,0|1,0,0]=3 1416 B9R2.68 C1CC2CNCC1O2 P44476 [0,0,0,2,0,0|1,0,0]=3 1417 B9R2.68 C1CC2COCC1N2 A-861 [0,0,0,2,0,0|2,0,0]=4 1418 B9R2.68 C1CC2COCC1N2 P45834 [0,0,0,2,0,0|2,0,0]=4 1419 B9R2.68 C1CC2CSCC1N2 A-593 [0,0,0,2,0,0|2,0,0]=4 1420 B9R2.68 C1CC2CSCC1N2 O32937 [0,0,0,2,0,0|2,0,0]=4 1421 B9R2.68 C1CN2CCC(C2)N1 I-9000 [0,0,0,2,0,0|2,0,0]=4 1422 B9R2.68 C1CN2CCC(C2)N1 P45524 [0,0,0,2,0,0|2,0,0]=4 1423 B9R2.68 C1CN2CC[C@@H](C2)N1 P44954 [0,0,0,2,0,0|2,0,0]=4 1424 B9R2.68 C1CN2CC[C@@H](C2)N1 P44955 [0,0,0,2,0,0|2,0,0]=4 1425 B9R2.68 C1CN2CC[C@H](C2)N1 P45076 [0,0,0,2,0,0|2,0,0]=4 1426 B9R2.68 C1C[C@@H]2CNC[C@H]1O2 P50041 [0,0,0,2,0,0|1,0,0]=3 1427 B9R2.68 C1NCC2CC1CO2 P45835 [0,0,0,2,0,0|1,0,0]=3 1428 B9R2.68 C1NCC2CC1CO2 P48066 [0,0,0,2,0,0|1,0,0]=3 1429 B9R2.68 C1NCC2CC1CS2 P45833 [0,0,0,2,0,0|1,1,0]=4 1430 B9R2.68 C1NCC2CC1CS2 P47038 [0,0,0,2,0,0|1,1,0]=4 1431 B9R2.68 [C@H]12CCN(CCN1)C2 G-7373 [0,0,0,2,0,0|2,0,0]=4 1432 B9R2.70 OC[C@H]1NC[C@@H]2C[C@H]12 Q56916 [0,0,0,2,0,0|1,0,0]=3 1433 B9R2.70 [C@@H]12CN[C@H](CO)[C@@H]1C2 C-2899 [0,0,0,2,0,0|1,0,0]=3 1434 B9R2.70 [C@@H]12CN[C@H](CO)[C@@H]1C2 O33218 [0,0,0,2,0,0|1,0,0]=3 1435 B9R2.70 [C@H]12C[C@H]1CN[C@@H]2CO L22191 [0,0,0,2,0,0|1,0,0]=3 1436 B9R2.123 NC1C2CCCCC12 P44913 [0,0,0,2,0,0|1,0,0]=3 1437 B9R2.123 NC1C2CCCCC12 Q53099 [0,0,0,2,0,0|1,0,0]=3 1438 B9R2.123 NC1C2CCCOC12 Q57616 [0,0,0,2,0,0|1,0,0]=3 1439 B9R2.123 NC1C2CCCOC12 Q57617 [0,0,0,2,0,0|1,0,0]=3 1440 B9R2.174 C1CC2(CCN1)CC2 G-6197 [0,0,0,2,0,0|2,0,0]=4 1441 B9R2.174 C1CC2(CCO1)CO2 10694 [0,0,0,2,0,0|1,0,0]=3 1442 B9R2.174 C1CCC2(CC2)NC1 Q65262 [0,0,0,2,0,0|1,0,0]=3 1443 B9R2.174 C1CNC2(CC2)CN1 F-4107 [0,0,0,2,0,0|2,0,0]=4 1444 B9R2.174 C1CNC2(CC2)CN1 G-5058 [0,0,0,2,0,0|2,0,0]=4 1445 B9R2.174 C1CNC2(CC2)CN1 Q56292 [0,0,0,2,0,0|2,0,0]=4 1446 B9R2.174 C1CNC2(CC2)CN1 Q56293 [0,0,0,2,0,0|2,0,0]=4 1447 B9R2.174 C1CNCC2(C1)CC2 Q52121 [0,0,0,2,0,0|2,0,0]=4 1448 B9R2.174 C1CNCC2(C1)CC2 Q53924 [0,0,0,2,0,0|2,0,0]=4 1449 B9R2.174 C1COC2(CC2)CN1 L14358 [0,0,0,2,0,0|1,0,0]=3 1450 B9R2.174 C1COC2(CC2)CN1 Q52344 [0,0,0,2,0,0|1,0,0]=3 1451 B9R2.174 C1COCC2(CC2)N1 Q57182 [0,0,0,2,0,0|2,0,0]=4 1452 B9R2.174 C1COCC2(CC2)N1 Q57183 [0,0,0,2,0,0|2,0,0]=4 1453 B9R2.6 CC12CCNCC1C2 P44887 [0,0,0,2,0,0|2,0,0]=4 1454 B9R2.6 CC12CCNCC1C2 Q62214 [0,0,0,2,0,0|2,0,0]=4 1455 B9R2.6 NC12CCCCC1C2 P46405 [0,0,0,2,0,0|1,0,0]=3 1456 B9R2.6 NC12CCCCC1C2 Q65216 [0,0,0,2,0,0|1,0,0]=3 1457 B9R2.6 OC12CCNCC1C2 Q57313 [0,0,0,2,0,0|1,0,0]=3 1458 B9R2.6 OC12CCNCC1C2 Q57314 [0,0,0,2,0,0|1,0,0]=3 1459 B9R2.6 OC12CNCCC1C2 Q58077 [0,0,0,2,0,0|1,0,0]=3 1460 B9R2.6 OC12CNCCC1C2 Q58078 [0,0,0,2,0,0|1,0,0]=3 1461 B9R2.6 O[C@@]12CNCC[C@@H]1C2 Q58106 [0,0,0,2,0,0|1,0,0]=3 1462 B9R2.19 O=C1CCC2CC1C2 P44051 [0,0,0,2,0,0|0,0,2]=4 1463 B9R2.39 BrC1CC2CCC1C2 P45805 [0,0,0,2,0,0|1,0,0]=3 1464 B9R2.39 CN1CC2CC1CN2 P44544 [0,0,0,2,0,0|2,0,0]=4 1465 B9R2.39 CN1CC2CC1CN2 P45517 [0,0,0,2,0,0|2,0,0]=4 1466 B9R2.39 CN1C[C@@H]2CC1CN2 P44391 [0,0,0,2,0,0|2,0,0]=4 1467 B9R2.39 CN1C[C@@H]2C[C@H]1CN2 P44392 [0,0,0,2,0,0|2,0,0]=4 1468 B9R2.39 CN1C[C@H]2CC1CN2 C-2912 [0,0,0,2,0,0|2,0,0]=4 1469 B9R2.39 CN1C[C@H]2C[C@@H]1CN2 L21438 [0,0,0,2,0,0|2,0,0]=4 1470 B9R2.39 CN1C[C@H]2C[C@@H]1CN2 P44107 [0,0,0,2,0,0|2,0,0]=4 1471 B9R2.39 FC1CC2CC1CN2 P47910 [0,0,0,2,0,0|2,0,0]=4 1472 B9R2.39 FC1CC2CC1CN2 Q56061 [0,0,0,2,0,0|2,0,0]=4 1473 B9R2.39 FC1CC2CCC1N2 P47248 [0,0,0,2,0,0|2,0,0]=4 1474 B9R2.39 FC1CC2CNC1C2 P47401 [0,0,0,2,0,0|2,0,0]=4 1475 B9R2.39 FC1CC2CNC1C2 Q56062 [0,0,0,2,0,0|2,0,0]=4 1476 B9R2.39 NC1CC2CCC1C2 P41250 [0,0,0,2,0,0|1,0,0]=3 1477 B9R2.39 NC1CC2CCC1C2 P45140 [0,0,0,2,0,0|1,0,0]=3 1478 B9R2.39 NC1CC2CCC1O2 P48828 [0,0,0,2,0,0|1,0,0]=3 1479 B9R2.39 N[C@@H]1C[C@@H]2CC[C@H]1C2 P45110 [0,0,0,2,0,0|1,0,0]=3 1480 B9R2.39 N[C@@H]1C[C@H]2CC[C@@H]1C2 P48888 [0,0,0,2,0,0|1,0,0]=3 1481 B9R2.39 N[C@H]1CC2CCC1O2 P48640 [0,0,0,2,0,0|1,0,0]=3 1482 B9R2.39 N[C@H]1C[C@@H]2CC[C@H]1C2 P45111 [0,0,0,2,0,0|1,0,0]=3 1483 B9R2.39 N[C@H]1C[C@H]2CC[C@@H]1C2 P44165 [0,0,0,2,0,0|1,0,0]=3 1484 B9R2.39 N[C@H]1C[C@H]2CC[C@@H]1C2 P49356 [0,0,0,2,0,0|1,0,0]=3 1485 B9R2.39 O=C1CC2CC1CO2 P49791 [0,0,0,2,0,0|1,0,1]=4 1486 B9R2.39 O=C1CC2CCC1O2 P45436 [0,0,0,2,0,0|1,0,1]=4 1487 B9R2.39 O=C1C[C@@H]2CC[C@H]1C2 P45557 [0,0,0,2,0,0|0,0,2]=4 1488 B9R2.39 O=C1C[C@@H]2CC[C@H]1C2 Q52554 [0,0,0,2,0,0|0,0,2]=4 1489 B9R2.39 OC1CC2CC1CN2 L21420 [0,0,0,2,0,0|1,0,0]=3 1490 B9R2.39 OC1CC2CC1CN2 P48594 [0,0,0,2,0,0|1,0,0]=3 1491 B9R2.39 OC1CC2CCC1C2 P47714 [0,0,0,2,0,0|0,0,0]=2 1492 B9R2.39 OC1CC2CNC1C2 L18520 [0,0,0,2,0,0|1,0,0]=3 1493 B9R2.39 OC1CC2CNC1C2 P45681 [0,0,0,2,0,0|1,0,0]=3 1494 B9R2.39 OC1CN2CCC1C2 P48438 [0,0,0,2,0,0|1,0,0]=3 1495 B9R2.39 O[C@@H]1CN2CC[C@H]1C2 P46943 [0,0,0,2,0,0|1,0,0]=3 1496 B9R2.39 O[C@@H]1C[C@@H]2CC[C@H]1N2 P47891 [0,0,0,2,0,0|1,0,0]=3 1497 B9R2.39 O[C@@H]1C[C@@H]2C[C@H]1CN2 P48799 [0,0,0,2,0,0|1,0,0]=3 1498 B9R2.39 O[C@@H]1C[C@H]2C[C@@H]1CN2 P47799 [0,0,0,2,0,0|1,0,0]=3 1499 B9R2.39 O[C@H]1C[C@@H]2CC[C@H]1N2 L21373 [0,0,0,2,0,0|1,0,0]=3 1500 B9R2.39 O[C@H]1C[C@@H]2CC[C@H]1N2 P46684 [0,0,0,2,0,0|1,0,0]=3 1501 B9R2.39 O[C@H]1C[C@@H]2CN[C@H]1C2 P48210 [0,0,0,2,0,0|1,0,0]=3 1502 B9R2.39 O[C@H]1C[C@@H]2C[C@H]1CN2 P48800 [0,0,0,2,0,0|1,0,0]=3 1503 B9R2.39 O[C@H]1C[C@H]2CC[C@@H]1C2 P45404 [0,0,0,2,0,0|0,0,0]=2 1504 B9R2.39 O[C@H]1C[C@H]2CN[C@@H]1C2 P48650 [0,0,0,2,0,0|1,0,0]=3 1505 B9R2.39 O[C@H]1C[C@H]2C[C@@H]1CN2 P48155 [0,0,0,2,0,0|1,0,0]=3 1506 B9R2.39 [C@@H]12CCN(C[C@@H]1N)C2 S72471 [0,0,0,2,0,0|2,0,0]=4 1507 B9R2.39 [C@@H]12CCN(C[C@H]1N)C2 S72470 [0,0,0,2,0,0|2,0,0]=4 1508 B9R2.39 [C@@H]12CC[C@@H](N1)[C@H](O)C2 L13369 [0,0,0,2,0,0|1,0,0]=3 1509 B9R2.39 [C@@H]12CN(C)[C@@H](CN1)C2 F-4130 [0,0,0,2,0,0|2,0,0]=4 1510 B9R2.39 [C@H]12CC[C@H](C1)[C@@H](O)C2 K13497 [0,0,0,2,0,0|0,0,0]=2 1511 B9R2.109 NC1CCCC2CC12 Q63668 [0,0,0,2,0,0|1,0,0]=3 1512 B9R2.109 NC1CCCC2CC12 Q63669 [0,0,0,2,0,0|1,0,0]=3 1513 B9R2.109 N[C@@H]1CCC[C@H]2C[C@H]21 Q63670 [0,0,0,2,0,0|1,0,0]=3 1514 B9R2.109 N[C@H]1CCC[C@H]2C[C@@H]12 Q63671 [0,0,0,2,0,0|1,0,0]=3 1515 B9R2.109 O=C1CCCC2CC12 H-8032 [0,0,0,2,0,0|0,0,2]=4 1516 B9R2.109 O=C1CCCC2OC12 10693 [0,0,0,2,0,0|1,0,1]=4 1517 B9R2.109 OC1CCCC2CC12 Q63664 [0,0,0,2,0,0|0,0,0]=2 1518 B9R2.109 O[C@@H]1CCC[C@@H]2C[C@H]12 Q63667 [0,0,0,2,0,0|0,0,0]=2 1519 B9R2.109 O[C@H]1CCC[C@H]2C[C@@H]12 Q63665 [0,0,0,2,0,0|0,0,0]=2 1520 B9R2.109 O[C@H]1CCC[C@H]2C[C@@H]12 Q63666 [0,0,0,2,0,0|0,0,0]=2 1521 B9R2.1 NC1CC12CCNC2 Q53964 [0,0,0,2,0,0|2,0,0]=4 1522 B9R2.1 NC1CC12CCNC2 Q53965 [0,0,0,2,0,0|2,0,0]=4 1523 B9R2.1 NC1CC12CCOC2 Q62976 [0,0,0,2,0,0|2,0,0]=4 1524 B9R2.1 N[C@@H]1C[C@@]12CCNC2 Q53958 [0,0,0,2,0,0|2,0,0]=4 1525 B9R2.1 N[C@@H]1C[C@@]12CCNC2 Q53959 [0,0,0,2,0,0|2,0,0]=4 1526 B9R2.1 N[C@@H]1C[C@]12CCNC2 Q53962 [0,0,0,2,0,0|2,0,0]=4 1527 B9R2.1 N[C@@H]1C[C@]12CCNC2 Q53963 [0,0,0,2,0,0|2,0,0]=4 1528 B9R2.1 N[C@H]1C[C@@]12CCNC2 Q53960 [0,0,0,2,0,0|2,0,0]=4 1529 B9R2.1 N[C@H]1C[C@@]12CCNC2 Q53961 [0,0,0,2,0,0|2,0,0]=4 1530 B9R2.1 N[C@H]1C[C@]12CCNC2 Q53956 [0,0,0,2,0,0|2,0,0]=4 1531 B9R2.1 N[C@H]1C[C@]12CCNC2 Q53957 [0,0,0,2,0,0|2,0,0]=4 1532 B9R2.2 C1CC(C2CC2)CN1 P51654 [0,0,0,2,0,0|2,0,0]=4 1533 B9R2.3 C1CC2CCNC2C1 Q57326 [0,0,0,2,0,0|1,0,0]=3 1534 B9R2.3 C1CC2CNCC2C1 F-4359 [0,0,0,2,0,0|1,0,0]=3 1535 B9R2.3 C1CC2CNCC2O1 Q56578 [0,0,0,2,0,0|1,0,0]=3 1536 B9R2.3 C1NCC2CNCC12 10030 [0,0,0,2,0,0|2,0,0]=4 1537 B9R2.3 C1NCC2CNCC12 A-890 [0,0,0,2,0,0|2,0,0]=4 1538 B9R2.3 C1NCC2COCC12 G-7639 [0,0,0,2,0,0|1,0,0]=3 1539 B9R2.3 [C@@H]12CNC[C@@H]1COC2 O33344 [0,0,0,2,0,0|1,0,0]=3 1540 B9R2.3 [C@@H]12CNC[C@@H]1COC2 P45449 [0,0,0,2,0,0|1,0,0]=3 1541 B9R2.3 [C@@H]12CNC[C@@H]1CSC2 O33162 [0,0,0,2,0,0|1,1,0]=4 1542 B9R2.3 [C@@H]12CNC[C@@H]1CSC2 Q53033 [0,0,0,2,0,0|1,1,0]=4 1543 B9R2.3 [C@H]12CCC[C@H]1CNC2 10022 [0,0,0,2,0,0|1,0,0]=3 1544 B9R2.3 [C@H]12CNC[C@@H]1COC2 Q61748 [0,0,0,2,0,0|1,0,0]=3 1545 B9R2.7 CN1CC2NCCC21 Q64108 [0,0,0,2,0,0|2,0,0]=4 1546 B9R2.7 NC1CC2COCC12 Q63939 [0,0,0,2,0,0|2,0,0]=4 1547 B9R2.173 C1CC2(C1)CCNC2 G-6679 [0,0,0,2,0,0|2,0,0]=4 1548 B9R2.173 C1CC2(C1)CCNC2 L13064 [0,0,0,2,0,0|2,0,0]=4 1549 B9R2.173 C1CC2(C1)CCNC2 Q62223 [0,0,0,2,0,0|2,0,0]=4 1550 B9R2.173 C1CC2(CCO2)CN1 C-2959 [0,0,0,2,0,0|1,0,0]=3 1551 B9R2.173 C1CC2(CCO2)CN1 C-2959-1 [0,0,0,2,0,0|1,0,0]=3 1552 B9R2.173 C1CC2(CCO2)CN1 Q62228 [0,0,0,2,0,0|1,0,0]=3 1553 B9R2.173 C1CC2(CCOC2)N1 L13401 [0,0,0,2,0,0|2,0,0]=4 1554 B9R2.173 C1CC2(CCOC2)N1 Q56396 [0,0,0,2,0,0|2,0,0]=4 1555 B9R2.173 C1CC2(CCOC2)N1 Q56397 [0,0,0,2,0,0|2,0,0]=4 1556 B9R2.173 C1CCC2(C1)CCN2 L14449 [0,0,0,2,0,0|1,0,0]=3 1557 B9R2.173 C1CCC2(C1)CNC2 L13063 [0,0,0,2,0,0|2,0,0]=4 1558 B9R2.173 C1CCC2(C1)CNC2 P36752 [0,0,0,2,0,0|2,0,0]=4 1559 B9R2.173 C1CNC2(C1)CCC2 G-5104 [0,0,0,2,0,0|1,0,0]=3 1560 B9R2.173 C1CNC2(C1)CCC2 Q62225 [0,0,0,2,0,0|1,0,0]=3 1561 B9R2.173 C1CNC2(C1)CCC2 Q62226 [0,0,0,2,0,0|1,0,0]=3 1562 B9R2.173 C1CNC2(C1)COC2 G-6687 [0,0,0,2,0,0|2,0,0]=4 1563 B9R2.173 C1CNC2(C1)COC2 Q62229 [0,0,0,2,0,0|2,0,0]=4 1564 B9R2.173 C1COC2(C1)CNC2 G-6243 [0,0,0,2,0,0|1,0,0]=3 1565 B9R2.173 C1COC2(C1)CNC2 M15779 [0,0,0,2,0,0|1,0,0]=3 1566 B9R2.173 C1COC2(C1)CNC2 Q56364 [0,0,0,2,0,0|1,0,0]=3 1567 B9R2.173 C1COC2(CNC2)O1 S72691 [0,0,0,2,0,0|2,0,0]=4 1568 B9R2.173 C1C[C@@]2(CCO2)CN1 Q63336 [0,0,0,2,0,0|1,0,0]=3 1569 B9R2.173 C1C[C@]2(CCO2)CN1 Q63335 [0,0,0,2,0,0|1,0,0]=3 1570 B9R2.52 C1CCC2CC2NC1 Q58075 [0,0,0,2,0,0|1,0,0]=3 1571 B9R2.20 CN1CCC2NCC21 Q65045 [0,0,0,2,0,0|2,0,0]=4 1572 B9R2.140 FC1CCC12CNC2 Q55552 [0,0,0,2,0,0|2,0,0]=4 1573 B9R2.140 NC1CCC12CCC2 P46484 [0,0,0,2,0,0|1,0,0]=3 1574 B9R2.140 NC1CCC12CCC2 Q62514 [0,0,0,2,0,0|1,0,0]=3 1575 B9R2.140 NC1CCC12COC2 Q55991 [0,0,0,2,0,0|2,0,0]=4 1576 B9R2.140 NC1COC12CCC2 Q55854 [0,0,0,2,0,0|2,0,0]=4 1577 B9R2.140 O=C1CCC12CCC2 Q56022 [0,0,0,2,0,0|0,0,2]=4 1578 B9R2.140 OC1CCC12CCC2 Q54733 [0,0,0,2,0,0|0,0,0]=2 1579 B9R2.140 OC1CCC12CNC2 O33101 [0,0,0,2,0,0|1,0,0]=3 1580 B9R2.140 OC1CCC12CNC2 Q55551 [0,0,0,2,0,0|1,0,0]=3 1581 B9R2.140 OC1CCC12COC2 P46913 [0,0,0,2,0,0|1,0,0]=3 1582 B9R2.5 FC1CNCC12CC2 P50446 [0,0,0,2,0,0|2,0,0]=4 1583 B9R2.5 FC1CNCC12CC2 Q54398 [0,0,0,2,0,0|2,0,0]=4 1584 B9R2.5 NC1CCCC12CC2 Q62618 [0,0,0,2,0,0|1,0,0]=3 1585 B9R2.5 NC1CNCC12CC2 Q53952 [0,0,0,2,0,0|2,0,0]=4 1586 B9R2.5 NC1CNCC12CC2 Q53953 [0,0,0,2,0,0|2,0,0]=4 1587 B9R2.5 N[C@@H]1CNCC12CC2 Q56304 [0,0,0,2,0,0|2,0,0]=4 1588 B9R2.5 N[C@@H]1CNCC12CC2 Q56305 [0,0,0,2,0,0|2,0,0]=4 1589 B9R2.5 N[C@H]1CNCC12CC2 Q53954 [0,0,0,2,0,0|2,0,0]=4 1590 B9R2.5 N[C@H]1CNCC12CC2 Q53955 [0,0,0,2,0,0|2,0,0]=4 1591 B9R2.5 OC1CCCC12CC2 Q62617 [0,0,0,2,0,0|0,0,0]=2 1592 B9R2.5 OC1CNCC12CC2 L14643 [0,0,0,2,0,0|1,0,0]=3 1593 B9R2.5 OC1CNCC12CC2 Q52691 [0,0,0,2,0,0|1,0,0]=3 1594 B9R2.14 FC12CCC1CNC2 P50443 [0,0,0,2,0,0|2,0,0]=4 1595 B9R2.33 O=C1CC2CCC2C1 Q54738 [0,0,0,2,0,0|0,0,2]=4 1596 B9R2.28 OCCC1CC12CC2 Q55580 [0,0,0,2,0,0|0,0,0]=2