0 B7R0.3 CCCC[C@@H](N)CO P35979 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.3 CCCC[C@H](N)CO P35978 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.3 CCCNC(=O)CN P36648 [0,0,0,0,0,0|3,0,0]=3 3 B7R0.3 CC\C=C\C(=O)OC Q70108 [0,0,0,0,0,0|0,0,2]=2 4 B7R0.3 CNC(=O)CCCN P40550 [0,0,0,0,0,0|2,0,0]=2 5 B7R0.3 CNCCC(=O)NC P37767 [0,0,0,0,0,0|2,0,0]=2 6 B7R0.3 CNCCC(=O)OC P36826 [0,0,0,0,0,0|1,0,0]=1 7 B7R0.3 COC(=O)CN=[N+]=[N-] P40367 [0,0,0,0,0,0|3,0,0]=3 8 B6R0.1 CCC(=O)CC#N P38761 [1,0,0,0,0,0|2,0,1]=4 9 B6R0.1 CCNC(=O)CN P39222 [1,0,0,0,0,0|3,0,0]=4 10 B6R0.1 CCNC(=O)CO O31312 [1,0,0,0,0,0|3,0,0]=4 11 B6R0.1 CCNC(=O)NC M15284 [1,0,0,0,0,0|2,0,0]=3 12 B6R0.1 CNC(=O)CCCl P38167 [1,0,0,0,0,0|2,0,0]=3 13 B6R0.1 CNC(=O)CCN P37692 [1,0,0,0,0,0|2,0,0]=3 14 B6R0.1 CNCC(=O)NC P37691 [1,0,0,0,0,0|2,0,0]=3 15 B6R0.1 CNCC(=O)NC P38046 [1,0,0,0,0,0|2,0,0]=3 16 B6R0.4 C#CCNC(C)=O P36776 [1,0,0,0,0,0|1,0,2]=4 17 B6R0.4 CCNCC(=O)O P37534 [1,0,0,0,0,0|1,0,0]=2 18 B6R0.4 CCNCC(N)=O P36580 [1,0,0,0,0,0|2,0,0]=3 19 B6R0.4 CN(C)CCCBr O34500 [1,0,0,0,0,0|3,0,0]=4 20 B6R0.4 CNCCC(=O)O P36779 [1,0,0,0,0,0|1,0,0]=2 21 B6R0.4 CNCCC(=O)O P39205 [1,0,0,0,0,0|1,0,0]=2 22 B6R0.4 CNCCC(C)O P38146 [1,0,0,0,0,0|1,0,2]=4 23 B6R0.4 CNCCC(N)=O P37896 [1,0,0,0,0,0|2,0,0]=3 24 B6R0.4 O=C(O)\C=C\CBr P41388 [1,0,0,0,0,0|1,0,2]=4 25 B6R0.4 O=CNCC(=O)O P39379 [1,0,0,0,0,0|2,0,1]=4 26 B6R0.4 [N-]=[N+]=NCC(=O)O P40297 [1,0,0,0,0,0|3,0,0]=4 27 B6R0.6 CNCCCCN L19491 [1,0,0,0,0,0|2,0,1]=4 28 B6R0.6 CNCCCOC P37437 [1,0,0,0,0,0|1,0,1]=3 29 B6R0.6 COCCCCN O29739 [1,0,0,0,0,0|1,0,1]=3 30 B8R0.1 CCC#CC(=O)OCC Q56870 [0,1,0,0,0,0|0,0,2]=3 31 B8R0.1 CCCCN(C)CCO Q66068 [0,1,0,0,0,0|3,0,0]=4 32 B8R0.1 CCCNC(=O)CCN P42190 [0,1,0,0,0,0|2,0,0]=3 33 B8R0.1 CCCNC(=O)CNC P35278 [0,1,0,0,0,0|2,0,0]=3 34 B8R0.1 CCCNC(=O)CNC P42832 [0,1,0,0,0,0|2,0,0]=3 35 B8R0.1 CCOC(=O)CN=[N+]=[N-] P36907 [0,1,0,0,0,0|3,0,0]=4 36 B8R0.3 C#CC[C@@H](N)C(=O)OC Q65834 [0,1,0,0,0,0|0,0,2]=3 37 B8R0.3 C#CC[C@H](N)C(=O)OC P40730 [0,1,0,0,0,0|0,0,2]=3 38 B8R0.3 CCCC(N)C(=O)OC P43113 [0,1,0,0,0,0|0,0,0]=1 39 B8R0.3 CO\C=C(/I)C(=O)OC O32141 [0,1,0,0,0,0|1,0,2]=4 40 B8R0.6 CNCCCC(=O)OC H-8710 [0,1,0,0,0,0|0,0,0]=1 41 B8R0.6 COC(=O)CCCCN P38983 [0,1,0,0,0,0|0,0,0]=1 42 B8R0.8 CC(C)C(=O)NCCN P37576 [0,1,0,0,0,0|3,0,0]=4 43 B8R0.8 CNCCC(=O)N(C)C P40566 [0,1,0,0,0,0|2,0,0]=3 44 B8R0.9 CC(C)CNC(=O)CCl P38819 [0,1,0,0,0,0|3,0,0]=4 45 B8R0.9 COC(=O)CNC(C)=O P42621 [0,1,0,0,0,0|1,0,1]=3 46 B8R1.1 C=CC1CCC(=O)C1 Q57034 [0,0,0,1,0,0|1,0,2]=4 47 B8R1.1 C=CC1COC(=O)C1 F-4407 [0,0,0,1,0,0|0,0,2]=3 48 B8R1.1 CCC1CCC(C)N1 Q59319 [0,0,0,1,0,0|2,0,1]=4 49 B8R1.1 CNC1CNC(=O)C1 L19088 [0,0,0,1,0,0|2,0,0]=3 50 B8R1.1 CN[C@H]1CNC(=O)C1 Q61671 [0,0,0,1,0,0|2,0,0]=3 51 B8R1.1 COC1CCC(N)C1 L22158 [0,0,0,1,0,0|2,0,1]=4 52 B8R1.1 COC1CCC(N)C1 Q52668 [0,0,0,1,0,0|2,0,1]=4 53 B8R1.1 COC1CCC(O)C1 Q57014 [0,0,0,1,0,0|2,0,1]=4 54 B8R1.1 CO[C@@H]1CC[C@@H](N)C1 O33204 [0,0,0,1,0,0|2,0,1]=4 55 B8R1.1 CO[C@@H]1CC[C@@H](N)C1 Q64245 [0,0,0,1,0,0|2,0,1]=4 56 B8R1.1 CO[C@@H]1CC[C@@H](O)C1 Q56989 [0,0,0,1,0,0|2,0,1]=4 57 B8R1.1 CO[C@@H]1CC[C@H](N)C1 Q64243 [0,0,0,1,0,0|2,0,1]=4 58 B8R1.1 CO[C@@H]1CC[C@H](N)C1 Q64248 [0,0,0,1,0,0|2,0,1]=4 59 B8R1.1 CO[C@@H]1CC[C@H](O)C1 Q57013 [0,0,0,1,0,0|2,0,1]=4 60 B8R1.1 CO[C@@H]1CN[C@@H](C)C1 Q61885 [0,0,0,1,0,0|2,0,1]=4 61 B8R1.1 CO[C@@H]1CN[C@H](C)C1 Q61884 [0,0,0,1,0,0|2,0,1]=4 62 B8R1.1 CO[C@H]1CC[C@@H](N)C1 O33413 [0,0,0,1,0,0|2,0,1]=4 63 B8R1.1 CO[C@H]1CC[C@@H](N)C1 Q64247 [0,0,0,1,0,0|2,0,1]=4 64 B8R1.1 CO[C@H]1CC[C@H](N)C1 Q64244 [0,0,0,1,0,0|2,0,1]=4 65 B8R1.1 CO[C@H]1CC[C@H](N)C1 Q64246 [0,0,0,1,0,0|2,0,1]=4 66 B8R1.1 CO[C@H]1CN[C@@H](C)C1 Q61883 [0,0,0,1,0,0|2,0,1]=4 67 B8R1.1 CO[C@H]1CN[C@H](C)C1 Q61886 [0,0,0,1,0,0|2,0,1]=4 68 B8R1.1 N#CC1CNC(=O)C1 P45137 [0,0,0,1,0,0|2,0,1]=4 69 B8R1.1 N#C[C@@H]1CCC(=O)C1 Q55084 [0,0,0,1,0,0|2,0,1]=4 70 B8R1.1 N#C[C@H]1CCC(=O)C1 Q55085 [0,0,0,1,0,0|2,0,1]=4 71 B8R1.1 NCC1CNC(=O)C1 G-5016 [0,0,0,1,0,0|2,0,0]=3 72 B8R1.1 NCC1CNC(=O)C1 G-5352 [0,0,0,1,0,0|2,0,0]=3 73 B8R1.1 NCC1CNC(=O)O1 F-4726 [0,0,0,1,0,0|3,0,0]=4 74 B8R1.1 NCC1CNC(=O)O1 L13152 [0,0,0,1,0,0|3,0,0]=4 75 B8R1.1 NCC1COC(=O)N1 L13942 [0,0,0,1,0,0|2,0,0]=3 76 B8R1.1 NC[C@@H]1CCC(=O)N1 10036 [0,0,0,1,0,0|3,0,0]=4 77 B8R1.1 NC[C@@H]1CCC(=O)N1 O33611 [0,0,0,1,0,0|3,0,0]=4 78 B8R1.1 NC[C@@H]1CNC(=O)C1 I-9821 [0,0,0,1,0,0|2,0,0]=3 79 B8R1.1 NC[C@@H]1CNC(=O)C1 L13273 [0,0,0,1,0,0|2,0,0]=3 80 B8R1.1 NC[C@@H]1CNC(=O)O1 L13195 [0,0,0,1,0,0|3,0,0]=4 81 B8R1.1 NC[C@H]1CCC(=O)N1 10096 [0,0,0,1,0,0|3,0,0]=4 82 B8R1.1 NC[C@H]1CNC(=O)C1 I-9497 [0,0,0,1,0,0|2,0,0]=3 83 B8R1.1 NC[C@H]1CNC(=O)C1 L13364 [0,0,0,1,0,0|2,0,0]=3 84 B8R1.1 NC[C@H]1CNC(=O)O1 L22235 [0,0,0,1,0,0|3,0,0]=4 85 B8R1.1 O=C1CC(CO)CN1 M22864 [0,0,0,1,0,0|2,0,0]=3 86 B8R1.1 O=C1CC(CO)CO1 H-8701 [0,0,0,1,0,0|1,0,0]=2 87 B8R1.1 O=C1CCC(CO)C1 Q62791 [0,0,0,1,0,0|2,0,0]=3 88 B8R1.1 O=C1CCC(CO)N1 M23573 [0,0,0,1,0,0|3,0,0]=4 89 B8R1.1 O=C1CC[C@@H](CBr)C1 Q64130 [0,0,0,1,0,0|2,0,0]=3 90 B8R1.1 O=C1CC[C@@H](CBr)N1 P36413 [0,0,0,1,0,0|3,0,0]=4 91 B8R1.1 O=C1CC[C@@H](CF)N1 Q59250 [0,0,0,1,0,0|3,0,0]=4 92 B8R1.1 O=C1CC[C@@H](CO)C1 Q62794 [0,0,0,1,0,0|2,0,0]=3 93 B8R1.1 O=C1CC[C@@H](CO)O1 K12361 [0,0,0,1,0,0|3,0,0]=4 94 B8R1.1 O=C1CC[C@H](CBr)C1 Q64129 [0,0,0,1,0,0|2,0,0]=3 95 B8R1.1 O=C1CC[C@H](CBr)N1 P34760 [0,0,0,1,0,0|3,0,0]=4 96 B8R1.1 O=C1CC[C@H](CO)C1 Q62792 [0,0,0,1,0,0|2,0,0]=3 97 B8R1.1 O=C1NCC(CO)O1 F-4693 [0,0,0,1,0,0|3,0,0]=4 98 B8R1.1 O=C1NC[C@@H](CO)O1 L13350 [0,0,0,1,0,0|3,0,0]=4 99 B8R1.1 O=C1N[C@@H](CI)CO1 10034 [0,0,0,1,0,0|2,0,0]=3 100 B8R1.1 O=C1N[C@@H](CO)CO1 10001 [0,0,0,1,0,0|2,0,0]=3 101 B8R1.1 O=C1N[C@@H](CO)CS1 K13391 [0,0,0,1,0,0|2,1,0]=4 102 B8R1.1 O=C1N[C@H](CO)CO1 10026 [0,0,0,1,0,0|2,0,0]=3 103 B8R1.1 O=C1N[C@H](CO)CS1 K13390 [0,0,0,1,0,0|2,1,0]=4 104 B8R1.2 BrCC1=CCCCC1 G-7545 [0,0,0,1,0,0|3,0,0]=4 105 B8R1.2 CC[C@@H]1CCCCN1 Q54717 [0,0,0,1,0,0|2,0,1]=4 106 B8R1.2 COC1=CCOCC1 G-7495 [0,0,0,1,0,0|2,0,0]=3 107 B8R1.2 COC1CCCNC1 C-3504 [0,0,0,1,0,0|2,0,1]=4 108 B8R1.2 COC1CCCNC1 M22805 [0,0,0,1,0,0|2,0,1]=4 109 B8R1.2 COC1CCNCC1 C-2394 [0,0,0,1,0,0|2,0,1]=4 110 B8R1.2 COC1CCNCC1 C-3203 [0,0,0,1,0,0|2,0,1]=4 111 B8R1.2 CON1CCNCC1 H-8599 [0,0,0,1,0,0|3,0,0]=4 112 B8R1.2 CO[C@@H]1CCCNC1 G-7538 [0,0,0,1,0,0|2,0,1]=4 113 B8R1.2 CO[C@@H]1CCCNC1 L13637 [0,0,0,1,0,0|2,0,1]=4 114 B8R1.2 CO[C@H]1CCCNC1 G-5239 [0,0,0,1,0,0|2,0,1]=4 115 B8R1.2 CO[C@H]1CCCNC1 L21633 [0,0,0,1,0,0|2,0,1]=4 116 B8R1.2 NCC1=CCCCC1 P38792 [0,0,0,1,0,0|3,0,0]=4 117 B8R1.3 C=C1CCC(=O)CC1 P44029 [0,0,0,1,0,0|1,0,2]=4 118 B8R1.3 C=C1CCC(N)CC1 L19013 [0,0,0,1,0,0|3,0,0]=4 119 B8R1.3 CC1C=CC(=O)CC1 K12331 [0,0,0,1,0,0|1,0,1]=3 120 B8R1.3 CC1CCC(=O)NC1 L13409 [0,0,0,1,0,0|1,0,0]=2 121 B8R1.3 CC1CNC(=O)CN1 P35228 [0,0,0,1,0,0|2,0,0]=3 122 B8R1.3 CC1COC(C)CN1 P42779 [0,0,0,1,0,0|2,0,1]=4 123 B8R1.3 C[C@@H]1CCC(=O)CN1 Q56751 [0,0,0,1,0,0|2,0,0]=3 124 B8R1.3 C[C@@H]1CCC(=O)CN1 Q56752 [0,0,0,1,0,0|2,0,0]=3 125 B8R1.3 C[C@@H]1CNC(=O)CN1 L14453 [0,0,0,1,0,0|2,0,0]=3 126 B8R1.3 C[C@@H]1CO[C@H](C)CN1 H-8048 [0,0,0,1,0,0|2,0,1]=4 127 B8R1.3 C[C@@H]1CO[C@H](C)CN1 K16121 [0,0,0,1,0,0|2,0,1]=4 128 B8R1.3 C[C@H]1CCC(=O)CN1 Q56753 [0,0,0,1,0,0|2,0,0]=3 129 B8R1.3 C[C@H]1CCC(=O)CN1 Q56754 [0,0,0,1,0,0|2,0,0]=3 130 B8R1.3 C[C@H]1CC[C@H](N)CC1 P45887 [0,0,0,1,0,0|2,0,1]=4 131 B8R1.3 C[C@H]1CNC(=O)CN1 L13879 [0,0,0,1,0,0|2,0,0]=3 132 B8R1.3 C[C@H]1CN[C@H](C)CO1 F-4331 [0,0,0,1,0,0|2,0,1]=4 133 B8R1.3 C[C@H]1CO[C@@H](C)CN1 M23096 [0,0,0,1,0,0|2,0,1]=4 134 B8R1.3 C[C@H]1CO[C@@H](C)CN1 O32398 [0,0,0,1,0,0|2,0,1]=4 135 B8R1.3 C[C@H]1CO[C@H](C)CN1 H-8444 [0,0,0,1,0,0|2,0,1]=4 136 B8R1.3 NC1CCC(=O)CC1 P36686 [0,0,0,1,0,0|2,0,0]=3 137 B8R1.3 NC1CCC(=O)NC1 C-3401 [0,0,0,1,0,0|2,0,0]=3 138 B8R1.3 NC1CCS(=O)CC1 Q54883 [0,0,0,1,0,0|3,0,0]=4 139 B8R1.3 NC1CCS(=O)CC1 Q54884 [0,0,0,1,0,0|3,0,0]=4 140 B8R1.3 N[C@@H]1CCC(=O)NC1 L21492 [0,0,0,1,0,0|2,0,0]=3 141 B8R1.3 N[C@H]1CCC(=O)NC1 L21629 [0,0,0,1,0,0|2,0,0]=3 142 B8R1.3 O=C1CCC(=O)NC1 Q52611 [0,0,0,1,0,0|2,0,1]=4 143 B8R1.3 O=C1CCC(=O)OC1 K12424 [0,0,0,1,0,0|1,0,1]=3 144 B8R1.3 O=C1CCC(Br)CC1 P39565 [0,0,0,1,0,0|2,0,0]=3 145 B8R1.3 O=C1CCC(F)CC1 L21631 [0,0,0,1,0,0|2,0,0]=3 146 B8R1.3 O=C1CCC(F)CN1 Q54421 [0,0,0,1,0,0|2,0,0]=3 147 B8R1.3 O=C1CC[C@H](O)CN1 Q52728 [0,0,0,1,0,0|2,0,0]=3 148 B8R1.3 O=S1CCC(O)CC1 Q57900 [0,0,0,1,0,0|3,0,0]=4 149 B8R1.5 CC1CCCNC1=O L13669 [0,0,0,1,0,0|2,0,0]=3 150 B8R1.5 CC1CCNCC1=O F-4040 [0,0,0,1,0,0|2,0,0]=3 151 B8R1.5 CC1CNCCC1=O O34502 [0,0,0,1,0,0|2,0,0]=3 152 B8R1.5 CC1COCCC1=O F-4697 [0,0,0,1,0,0|2,0,0]=3 153 B8R1.5 CC1NCCNC1=O O34501 [0,0,0,1,0,0|3,0,0]=4 154 B8R1.5 CN1CCNCC1=O G-5499 [0,0,0,1,0,0|2,0,0]=3 155 B8R1.5 CN1CCNCC1=O G-5499-1 [0,0,0,1,0,0|2,0,0]=3 156 B8R1.5 C[C@@H]1CCCC[C@@H]1N O34546 [0,0,0,1,0,0|2,0,1]=4 157 B8R1.5 C[C@@H]1CCCC[C@@H]1N P46167 [0,0,0,1,0,0|2,0,1]=4 158 B8R1.5 C[C@@H]1CCCC[C@H]1N P44819 [0,0,0,1,0,0|2,0,1]=4 159 B8R1.5 C[C@@H]1CCCC[C@H]1N P44820 [0,0,0,1,0,0|2,0,1]=4 160 B8R1.5 C[C@@H]1CCCC[C@H]1N P45791 [0,0,0,1,0,0|2,0,1]=4 161 B8R1.5 C[C@@H]1NCCNC1=O O34331 [0,0,0,1,0,0|3,0,0]=4 162 B8R1.5 C[C@H]1CCCC[C@@H]1N P45803 [0,0,0,1,0,0|2,0,1]=4 163 B8R1.5 C[C@H]1CCCC[C@@H]1N P49914 [0,0,0,1,0,0|2,0,1]=4 164 B8R1.5 C[C@H]1CCCC[C@H]1N O34572 [0,0,0,1,0,0|2,0,1]=4 165 B8R1.5 C[C@H]1CCCC[C@H]1N P45166 [0,0,0,1,0,0|2,0,1]=4 166 B8R1.5 C[C@H]1NCCNC1=O O34330 [0,0,0,1,0,0|3,0,0]=4 167 B8R1.5 NC1CCCCC1=O P45934 [0,0,0,1,0,0|2,0,0]=3 168 B8R1.5 NN1CCCCC1=O B-1138 [0,0,0,1,0,0|2,0,0]=3 169 B8R1.5 N[C@@H]1CCCNC1=O O34375 [0,0,0,1,0,0|3,0,0]=4 170 B8R1.5 N[C@H]1CCCNC1=O O34462 [0,0,0,1,0,0|3,0,0]=4 171 B8R1.5 O=C1CCCCC1Br L21639 [0,0,0,1,0,0|2,0,0]=3 172 B8R1.5 O=C1CCCCC1F P45307 [0,0,0,1,0,0|2,0,0]=3 173 B8R1.5 O=C1CCCNC1=O S72799 [0,0,0,1,0,0|3,0,0]=4 174 B8R1.5 O=C1CCNCC1Br Q52493 [0,0,0,1,0,0|3,0,0]=4 175 B8R1.5 O=C1CCNCC1F G-7340 [0,0,0,1,0,0|3,0,0]=4 176 B8R1.5 O=C1CCNCC1F Q56501 [0,0,0,1,0,0|3,0,0]=4 177 B8R1.5 O=C1CCOCC1Br C-3416 [0,0,0,1,0,0|3,0,0]=4 178 B8R1.5 O=C1CCOCC1F G-7272 [0,0,0,1,0,0|3,0,0]=4 179 B8R1.5 O=C1CCOC[C@H]1F Q52309 [0,0,0,1,0,0|3,0,0]=4 180 B8R1.5 O=C1COCCC1Br Q54651 [0,0,0,1,0,0|3,0,0]=4 181 B8R1.5 O=C1NCCCC1Br L18696 [0,0,0,1,0,0|3,0,0]=4 182 B8R1.5 O=C1NCCC[C@@H]1O P36280 [0,0,0,1,0,0|3,0,0]=4 183 B8R1.5 O=C1NCCC[C@H]1O P39619 [0,0,0,1,0,0|3,0,0]=4 184 B8R1.5 O=C1OCCCC1Br L20669 [0,0,0,1,0,0|3,0,0]=4 185 B8R1.22 BrC1CCCCCC1 P39447 [0,0,0,1,0,0|2,0,1]=4 186 B8R1.22 O=C1CCCNCC1 A-576 [0,0,0,1,0,0|2,0,0]=3 187 B8R1.22 O=C1CCNCCN1 Q52595 [0,0,0,1,0,0|2,0,0]=3 188 B8R1.22 O=C1CNCCCN1 O34379 [0,0,0,1,0,0|2,0,0]=3 189 B8R1.22 O=C1CNCCNC1 P46870 [0,0,0,1,0,0|3,0,0]=4 190 B8R1.38 C=CC(=O)N1CCC1 P44698 [0,0,0,1,0,0|2,0,1]=4 191 B8R1.38 CCC(=O)C1CCC1 P45339 [0,0,0,1,0,0|1,0,0]=2 192 B8R1.38 CCC(=O)C1COC1 Q56142 [0,0,0,1,0,0|2,0,0]=3 193 B8R1.38 CCC(O)C1CCC1 P48473 [0,0,0,1,0,0|1,0,2]=4 194 B8R1.38 CNC(=O)C1CCC1 P49094 [0,0,0,1,0,0|1,0,0]=2 195 B8R1.38 CNC(=O)C1CNC1 P45048 [0,0,0,1,0,0|2,0,0]=3 196 B8R1.38 CNC(=O)C1CNC1 P45049 [0,0,0,1,0,0|2,0,0]=3 197 B8R1.38 CNC(C)C1CCC1 P48247 [0,0,0,1,0,0|2,0,1]=4 198 B8R1.38 COC(=O)C1C=CC1 P47818 [0,0,0,1,0,0|0,0,2]=3 199 B8R1.38 COC(=O)C1CCC1 P45206 [0,0,0,1,0,0|0,0,0]=1 200 B8R1.38 COC(=O)C1CCN1 F-4237 [0,0,0,1,0,0|1,0,0]=2 201 B8R1.38 COC(=O)C1CNC1 A-420 [0,0,0,1,0,0|1,0,0]=2 202 B8R1.38 COC(=O)C1CNC1 F-4426 [0,0,0,1,0,0|1,0,0]=2 203 B8R1.38 COC(=O)C1COC1 L13768 [0,0,0,1,0,0|1,0,0]=2 204 B8R1.38 COC(=O)[C@@H]1CCN1 G-7134 [0,0,0,1,0,0|1,0,0]=2 205 B8R1.38 COC(=O)[C@H]1CCN1 G-7965 [0,0,0,1,0,0|1,0,0]=2 206 B8R1.38 NCC(=O)C1CCC1 L19863 [0,0,0,1,0,0|2,0,0]=3 207 B8R1.38 NCC(=O)N1CCC1 P42497 [0,0,0,1,0,0|3,0,0]=4 208 B8R1.38 NNC(=O)C1CCC1 P44614 [0,0,0,1,0,0|2,0,0]=3 209 B8R1.38 O=C(CBr)C1CCC1 P44370 [0,0,0,1,0,0|2,0,0]=3 210 B8R1.38 O=C(CBr)N1CCC1 P44519 [0,0,0,1,0,0|3,0,0]=4 211 B8R1.38 O=C(CCl)C1CCC1 P45495 [0,0,0,1,0,0|2,0,0]=3 212 B8R1.38 O=C(CCl)N1CCC1 P34713 [0,0,0,1,0,0|3,0,0]=4 213 B8R1.38 O=C(CO)C1CCC1 P45459 [0,0,0,1,0,0|2,0,0]=3 214 B8R1.38 O=C(NO)C1CCC1 P45195 [0,0,0,1,0,0|2,0,0]=3 215 B8R1.40 COC(=O)C=C1CC1 H-8420 [0,0,0,1,0,0|0,0,2]=3 216 B8R1.40 COC(=O)CC1CC1 G-7131 [0,0,0,1,0,0|0,0,0]=1 217 B8R1.40 NCC(=O)NC1CC1 P36714 [0,0,0,1,0,0|3,0,0]=4 218 B8R1.47 COC1CC(CN)C1 P44011 [0,0,0,1,0,0|2,0,1]=4 219 B8R1.47 COC1CC(CO)C1 P45045 [0,0,0,1,0,0|2,0,1]=4 220 B8R1.47 CO[C@H]1C[C@@H](CN)C1 L21686 [0,0,0,1,0,0|2,0,1]=4 221 B8R1.47 CO[C@H]1C[C@@H](CN)C1 P43904 [0,0,0,1,0,0|2,0,1]=4 222 B8R1.47 CO[C@H]1C[C@@H](CO)C1 P44710 [0,0,0,1,0,0|2,0,1]=4 223 B8R1.47 CO[C@H]1C[C@H](CN)C1 O33186 [0,0,0,1,0,0|2,0,1]=4 224 B8R1.47 CO[C@H]1C[C@H](CN)C1 P48158 [0,0,0,1,0,0|2,0,1]=4 225 B8R1.47 CO[C@H]1C[C@H](CO)C1 P46301 [0,0,0,1,0,0|2,0,1]=4 226 B8R1.50 CC1C(=O)CCN1C Q52697 [0,0,0,1,0,0|2,0,0]=3 227 B8R1.50 CN1CCC(=O)C1=O Q59432 [0,0,0,1,0,0|3,0,0]=4 228 B5R0.1 CCC[C@H](C)N I-9318 [2,0,0,0,0,0|1,0,1]=4 229 B5R0.1 O=C(O)CCF A-698 [2,0,0,0,0,0|1,0,0]=3 230 B5R0.2 CNCCSC M23087 [2,0,0,0,0,0|1,1,0]=4 231 B5R0.2 CSCCCN P39434 [2,0,0,0,0,0|1,1,0]=4 232 B5R0.3 CNC(=O)CBr P38653 [2,0,0,0,0,0|2,0,0]=4 233 B5R0.3 CNC(=O)CN P37877 [2,0,0,0,0,0|2,0,0]=4 234 B5R0.3 CNC(=O)CO P37539 [2,0,0,0,0,0|2,0,0]=4 235 B5R0.3 COC(=N)CCl P36514 [2,0,0,0,0,0|2,0,0]=4 236 B7R0.2 C=CC(=O)CC(C)C L19279 [1,1,0,0,0,0|1,0,1]=4 237 B7R0.2 CCC(=O)CC(C)=O O31794 [1,1,0,0,0,0|1,0,1]=4 238 B7R0.2 COC(=O)CC(C)N P41489 [1,1,0,0,0,0|0,0,0]=2 239 B7R0.2 COC(=O)CN(C)C P36457 [1,1,0,0,0,0|1,0,0]=3 240 B7R0.2 COC(=O)C[C@@H](C)N Q68958 [1,1,0,0,0,0|0,0,0]=2 241 B7R0.2 COC(=O)C[N+](=O)[O-] P45896 [1,1,0,0,0,0|2,0,0]=4 242 B7R0.5 CN(C)C(=O)CCCl P40567 [1,1,0,0,0,0|2,0,0]=4 243 B7R0.5 CN(C)C(=O)CCN O33598 [1,1,0,0,0,0|2,0,0]=4 244 B7R0.5 CNCC(=O)N(C)C P40286 [1,1,0,0,0,0|2,0,0]=4 245 B7R0.7 CCNC(=O)CCN P36830 [1,1,0,0,0,0|2,0,0]=4 246 B7R0.7 CCNC(=O)CNC P35209 [1,1,0,0,0,0|2,0,0]=4 247 B7R0.7 CCNC(=O)CNC P39556 [1,1,0,0,0,0|2,0,0]=4 248 B7R0.7 CCOC(=O)CCI P36879 [1,1,0,0,0,0|1,0,0]=3 249 B7R0.7 CCOC(=O)NCO Q69358 [1,1,0,0,0,0|2,0,0]=4 250 B7R0.10 CN[C@@H](C)C(=O)OC P40007 [1,1,0,0,0,0|1,0,0]=3 251 B7R0.10 COC(=O)C(C)CN P35475 [1,1,0,0,0,0|1,0,0]=3 252 B7R0.10 COC(=O)[C@@H](N)CN P41137 [1,1,0,0,0,0|1,0,0]=3 253 B7R0.4 C#CCNCC(=O)O L20673 [1,1,0,0,0,0|0,0,2]=4 254 B7R0.4 C#CCOCC(=O)O O29707 [1,1,0,0,0,0|0,0,2]=4 255 B7R0.4 C=CCOCC(=O)O P39548 [1,1,0,0,0,0|0,0,2]=4 256 B7R0.4 CC(=O)NCCCN P38199 [1,1,0,0,0,0|1,0,0]=3 257 B7R0.4 CNCCNC(C)=O P41559 [1,1,0,0,0,0|1,0,0]=3 258 B7R0.4 COCCCC(=O)O P39031 [1,1,0,0,0,0|0,0,0]=2 259 B7R0.4 NCCNCC(=O)O O28634 [1,1,0,0,0,0|1,0,0]=3 260 B7R0.4 NCCOCC(=O)O P35961 [1,1,0,0,0,0|1,0,0]=3 261 B7R0.4 [N-]=[N+]=NCCC(=O)O 10071 [1,1,0,0,0,0|2,0,0]=4 262 B7R0.6 CC(=O)OCC(C)O P36972 [1,1,0,0,0,0|1,0,0]=3 263 B7R0.6 CC(C)=CCC(=O)O P43260 [1,1,0,0,0,0|0,0,2]=4 264 B7R0.6 CC(C)OCC(=O)O P38749 [1,1,0,0,0,0|1,0,0]=3 265 B7R0.6 O=C(O)CCC(F)F S72753 [1,1,0,0,0,0|1,0,0]=3 266 B7R0.8 CCCCS(=O)(=O)O O30093 [1,1,0,0,0,0|1,0,0]=3 267 B7R0.8 CNCCS(C)(=O)=O P39970 [1,1,0,0,0,0|2,0,0]=4 268 B7R0.1 CCCCOCCN P36925 [1,1,0,0,0,0|2,0,0]=4 269 B7R0.1 COCCOCCN P38878 [1,1,0,0,0,0|1,0,1]=4 270 B9R0.5 CCCCNC(=O)CC#N P38337 [0,2,0,0,0,0|1,0,1]=4 271 B9R0.8 CCCCC(N)C(=O)OC M23165 [0,2,0,0,0,0|0,0,0]=2 272 B9R0.34 CCOC(=O)C[C@@H](O)CCl P35219 [0,2,0,0,0,0|1,0,0]=3 273 B9R0.34 CCOC(=O)C[C@H](O)CCl P35666 [0,2,0,0,0,0|1,0,0]=3 274 B9R0.35 C#CCC(N)C(=O)OCC P40977 [0,2,0,0,0,0|0,0,2]=4 275 B9R0.23 COC(=O)[C@@H](C)CC(=O)O Q69085 [0,2,0,0,0,0|1,0,1]=4 276 B9R0.23 COC(=O)[C@@H](O)CC(=O)O H-8313 [0,2,0,0,0,0|1,0,1]=4 277 B9R0.23 COC(=O)[C@H](N)CC(C)C P37232 [0,2,0,0,0,0|0,0,0]=2 278 B9R0.23 COC(=O)[C@H](O)CC(=O)O H-8314 [0,2,0,0,0,0|1,0,1]=4 279 B9R0.23 COC(=O)[C@H](O)CC(C)C P42599 [0,2,0,0,0,0|0,0,0]=2 280 B9R0.27 CCC(=O)C(C)C(=O)OC P40525 [0,2,0,0,0,0|0,0,1]=3 281 B9R0.60 COC(=O)C(C)(C)CCBr H-8049 [0,2,0,0,0,0|1,0,0]=3 282 B9R0.46 CCOCCOC(=O)CCl O30319 [0,2,0,0,0,0|2,0,0]=4 283 B9R0.46 COC(=O)CCCN=[N+]=[N-] P35568 [0,2,0,0,0,0|1,0,0]=3 284 B9R0.42 COC(=O)C[C@@H](C)C(=O)O Q69087 [0,2,0,0,0,0|1,0,1]=4 285 B9R0.42 COC(=O)C[C@H](C)C(=O)O Q69083 [0,2,0,0,0,0|1,0,1]=4 286 B9R0.42 COC(=O)C[C@H](N)C(C)C Q68995 [0,2,0,0,0,0|0,0,0]=2 287 B9R0.21 COC(=O)CCC(F)(F)F P39478 [0,2,0,0,0,0|1,0,0]=3 288 B9R0.21 COC(=O)CC[B-](F)(F)F P50966 [0,2,0,0,0,0|2,0,0]=4 289 B7R1.2 CC1=NC(C)CO1 M15289 [1,0,0,1,0,0|2,0,0]=4 290 B7R1.2 CC1CNC(=O)C1 L13710 [1,0,0,1,0,0|1,0,0]=3 291 B7R1.2 CC1CNC(=O)O1 P51279 [1,0,0,1,0,0|2,0,0]=4 292 B7R1.2 C[C@@H]1CNC(=O)C1 L22301 [1,0,0,1,0,0|1,0,0]=3 293 B7R1.2 C[C@@H]1CNC(=O)O1 P42625 [1,0,0,1,0,0|2,0,0]=4 294 B7R1.2 C[C@H]1CNC(=O)C1 L18264 [1,0,0,1,0,0|1,0,0]=3 295 B7R1.2 NC1CNC(=O)C1 G-6478 [1,0,0,1,0,0|2,0,0]=4 296 B7R1.2 NC1CNC(=O)C1 L13560 [1,0,0,1,0,0|2,0,0]=4 297 B7R1.2 N[C@@H]1CNC(=O)C1 L13184 [1,0,0,1,0,0|2,0,0]=4 298 B7R1.2 N[C@@H]1CNC(=O)C1 P44245 [1,0,0,1,0,0|2,0,0]=4 299 B7R1.2 N[C@H]1CNC(=O)C1 L13183 [1,0,0,1,0,0|2,0,0]=4 300 B7R1.2 O=C1CC(O)CN1 P39299 [1,0,0,1,0,0|2,0,0]=4 301 B7R1.2 O=C1CCC(Br)C1 Q56972 [1,0,0,1,0,0|2,0,0]=4 302 B7R1.2 O=C1CCC(F)C1 Q55724 [1,0,0,1,0,0|2,0,0]=4 303 B7R1.2 O=C1CCC(O)C1 H-8145 [1,0,0,1,0,0|2,0,0]=4 304 B7R1.2 O=C1C[C@@H](O)CN1 M22799 [1,0,0,1,0,0|2,0,0]=4 305 B7R1.2 O=C1C[C@@H](S)CN1 I-9138 [1,0,0,1,0,0|2,0,0]=4 306 B7R1.3 BrC1=CCCCC1 N24288 [1,0,0,1,0,0|2,0,0]=4 307 B7R1.3 N=C1NCCCO1 L19177 [1,0,0,1,0,0|2,0,0]=4 308 B7R1.3 O=C1CCCNC1 A-184 [1,0,0,1,0,0|2,0,0]=4 309 B7R1.3 O=C1CCCOC1 G-6070 [1,0,0,1,0,0|2,0,0]=4 310 B7R1.3 O=C1CCCSC1 G-5937 [1,0,0,1,0,0|2,0,0]=4 311 B7R1.3 O=C1CCOCC1 B-1770 [1,0,0,1,0,0|2,0,0]=4 312 B7R1.3 O=C1CCSCC1 C-2949 [1,0,0,1,0,0|2,0,0]=4 313 B7R1.3 O=C1CNCCO1 O28295 [1,0,0,1,0,0|1,0,0]=3 314 B7R1.3 O=C1COCCN1 B-1038 [1,0,0,1,0,0|2,0,0]=4 315 B7R1.3 O=C1OCCCO1 P43743 [1,0,0,1,0,0|1,0,0]=3 316 B7R1.4 CC1CCNC1=O O30375 [1,0,0,1,0,0|2,0,0]=4 317 B7R1.4 CN1CCCC1=N Q59266 [1,0,0,1,0,0|2,0,0]=4 318 B7R1.4 C[C@@H]1CCNC1=O Q61716 [1,0,0,1,0,0|2,0,0]=4 319 B7R1.4 C[C@H]1CCNC1=O Q61658 [1,0,0,1,0,0|2,0,0]=4 320 B7R1.4 NN1CCCC1=O P51102 [1,0,0,1,0,0|2,0,0]=4 321 B7R1.4 O=C1CCCC1=O L19145 [1,0,0,1,0,0|2,0,0]=4 322 B7R1.4 O=C1CCCC1O Q61720 [1,0,0,1,0,0|2,0,0]=4 323 B7R1.8 COC1CCC1=O P45632 [1,0,0,1,0,0|2,0,0]=4 324 B7R1.8 NCC1CNC1=O P46897 [1,0,0,1,0,0|2,0,0]=4 325 B7R1.8 O=C1CCC1CO L18510 [1,0,0,1,0,0|2,0,0]=4 326 B7R1.22 CCC(=O)C1CC1 I-9941 [1,0,0,1,0,0|1,0,0]=3 327 B7R1.22 NNC(=O)C1CC1 G-5359 [1,0,0,1,0,0|2,0,0]=4 328 B7R1.12 CC1CC1C(=O)Cl O31612 [1,0,0,1,0,0|1,0,0]=3 329 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O P44059 [1,0,0,1,0,0|0,0,0]=2 330 B7R1.12 C[C@@H]1C[C@H]1C(=O)O L22375 [1,0,0,1,0,0|0,0,0]=2 331 B7R1.12 C[C@H]1C[C@H]1C(=O)O O33127 [1,0,0,1,0,0|0,0,0]=2 332 B7R1.12 O=C(O)C1CC1F Q52394 [1,0,0,1,0,0|1,0,0]=3 333 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F K10809 [1,0,0,1,0,0|1,0,0]=3 334 B7R1.12 O=C(O)[C@@H]1C[C@H]1F O33126 [1,0,0,1,0,0|1,0,0]=3 335 B7R1.12 O=C(O)[C@@H]1C[C@H]1F O33327 [1,0,0,1,0,0|1,0,0]=3 336 B7R1.12 O=C(O)[C@H]1C[C@@H]1F O33229 [1,0,0,1,0,0|1,0,0]=3 337 B7R1.12 O=C(O)[C@H]1C[C@H]1F K10802 [1,0,0,1,0,0|1,0,0]=3 338 B7R1.14 CC1(N)CCCC1 Q57352 [1,0,0,1,0,0|1,0,1]=4 339 B7R1.18 CC(=O)C1CCC1 Q54751 [1,0,0,1,0,0|0,0,0]=2 340 B7R1.18 CC(=O)C1CNC1 P44065 [1,0,0,1,0,0|1,0,0]=3 341 B7R1.18 CC(=O)C1CNC1 P48871 [1,0,0,1,0,0|1,0,0]=3 342 B7R1.18 CC(=O)C1CNC1 P48872 [1,0,0,1,0,0|1,0,0]=3 343 B7R1.18 CC(=O)C1COC1 Q56096 [1,0,0,1,0,0|1,0,0]=3 344 B7R1.18 CC(=O)N1CCC1 P45596 [1,0,0,1,0,0|1,0,0]=3 345 B7R1.18 CC(N)C1CCC1 L22474 [1,0,0,1,0,0|1,0,1]=4 346 B7R1.18 CC(N)C1CCC1 P45412 [1,0,0,1,0,0|1,0,1]=4 347 B7R1.18 CC(O)C1CCC1 P45236 [1,0,0,1,0,0|0,0,2]=4 348 B7R1.18 CS(=O)C1CNC1 P40256 [1,0,0,1,0,0|2,0,0]=4 349 B7R1.18 C[C@@H](N)C1CCC1 P45187 [1,0,0,1,0,0|1,0,1]=4 350 B7R1.18 C[C@@H](N)C1CCC1 P45332 [1,0,0,1,0,0|1,0,1]=4 351 B7R1.18 C[C@H](N)C1CCC1 P48628 [1,0,0,1,0,0|1,0,1]=4 352 B7R1.18 C[C@H](O)C1CCC1 P47847 [1,0,0,1,0,0|0,0,2]=4 353 B7R1.18 N=C(N)C1CCC1 G-7205 [1,0,0,1,0,0|2,0,0]=4 354 B7R1.18 NC(=O)C1CCC1 O34470 [1,0,0,1,0,0|1,0,0]=3 355 B7R1.18 NC(=O)C1CCN1 O28301 [1,0,0,1,0,0|2,0,0]=4 356 B7R1.18 NC(=O)C1CNC1 C-2241 [1,0,0,1,0,0|2,0,0]=4 357 B7R1.18 NC(=O)C1CNC1 L21539 [1,0,0,1,0,0|2,0,0]=4 358 B7R1.18 NC(=O)N1CCC1 P45464 [1,0,0,1,0,0|2,0,0]=4 359 B7R1.18 NC(=S)C1CCC1 P47843 [1,0,0,1,0,0|1,1,0]=4 360 B7R1.18 O=C(O)C1CCN1 B-1112 [1,0,0,1,0,0|1,0,0]=3 361 B7R1.18 O=C(O)C1CCO1 D-2702 [1,0,0,1,0,0|1,0,0]=3 362 B7R1.18 O=C(O)C1CNC1 A-422 [1,0,0,1,0,0|1,0,0]=3 363 B7R1.18 O=C(O)C1CNC1 P42961 [1,0,0,1,0,0|1,0,0]=3 364 B7R1.18 O=C(O)C1COC1 A-970 [1,0,0,1,0,0|1,0,0]=3 365 B7R1.18 O=C(O)C1CSC1 H-8019 [1,0,0,1,0,0|1,0,0]=3 366 B7R1.18 O=C(O)[C@@H]1CCN1 B-1110 [1,0,0,1,0,0|1,0,0]=3 367 B7R1.18 O=C(O)[C@@H]1CCN1 P46195 [1,0,0,1,0,0|1,0,0]=3 368 B7R1.18 O=C(O)[C@@H]1CCO1 Q62698 [1,0,0,1,0,0|1,0,0]=3 369 B7R1.18 O=C(O)[C@H]1CCN1 B-1109 [1,0,0,1,0,0|1,0,0]=3 370 B7R1.18 O=C(O)[C@H]1CCN1 P45364 [1,0,0,1,0,0|1,0,0]=3 371 B7R1.18 O=C(O)[C@H]1CCO1 Q62699 [1,0,0,1,0,0|1,0,0]=3 372 B7R1.18 OB(O)C1CCC1 P45097 [1,0,0,1,0,0|1,0,1]=4 373 B7R1.20 CC(O)CC1CC1 O29763 [1,0,0,1,0,0|0,0,2]=4 374 B7R1.20 O=C(Cl)CC1CC1 Q54347 [1,0,0,1,0,0|1,0,0]=3 375 B7R1.20 O=C(O)CC1CC1 F-4292 [1,0,0,1,0,0|0,0,0]=2 376 B7R1.20 O=C(O)CC1CO1 P45743 [1,0,0,1,0,0|1,0,0]=3 377 B7R1.24 C1CNCCOC1 O28784 [1,0,0,1,0,0|1,0,1]=4 378 B9R1.2 CCC1CC(=O)CCO1 10650 [0,1,0,1,0,0|1,0,0]=3 379 B9R1.2 CCN1CCNC(=O)C1 L21411 [0,1,0,1,0,0|2,0,0]=4 380 B9R1.2 COC1CCCC(=O)C1 P44206 [0,1,0,1,0,0|2,0,0]=4 381 B9R1.2 COC1CCCC(O)C1 L21478 [0,1,0,1,0,0|1,0,1]=4 382 B9R1.2 CO[C@@H]1CCC[C@@H](N)C1 P49873 [0,1,0,1,0,0|1,0,1]=4 383 B9R1.2 CO[C@@H]1CCC[C@@H](O)C1 P46941 [0,1,0,1,0,0|1,0,1]=4 384 B9R1.2 CO[C@@H]1CCC[C@H](O)C1 P46930 [0,1,0,1,0,0|1,0,1]=4 385 B9R1.2 CO[C@@H]1CCC[C@H](O)C1 P47713 [0,1,0,1,0,0|1,0,1]=4 386 B9R1.2 CO[C@@H]1CCN[C@H](C)C1 K10846 [0,1,0,1,0,0|1,0,1]=4 387 B9R1.2 CO[C@H]1CCC[C@@H](O)C1 P46929 [0,1,0,1,0,0|1,0,1]=4 388 B9R1.2 CO[C@H]1CCC[C@H](O)C1 P45107 [0,1,0,1,0,0|1,0,1]=4 389 B9R1.2 CO[C@H]1CCC[C@H](O)C1 P46656 [0,1,0,1,0,0|1,0,1]=4 390 B9R1.2 CO[C@H]1CCN[C@@H](C)C1 K10845 [0,1,0,1,0,0|1,0,1]=4 391 B9R1.2 CO[C@H]1CCN[C@H](C)C1 Q61363 [0,1,0,1,0,0|1,0,1]=4 392 B9R1.2 NCC1CCNC(=O)C1 C-3610 [0,1,0,1,0,0|2,0,0]=4 393 B9R1.2 NCC1CCNC(=O)C1 Q51820 [0,1,0,1,0,0|2,0,0]=4 394 B9R1.2 O=C1CC(CO)CCN1 C-3400 [0,1,0,1,0,0|2,0,0]=4 395 B9R1.2 O=C1CCOC(CO)C1 Q54642 [0,1,0,1,0,0|2,0,0]=4 396 B9R1.8 COCC1CCCCN1 O28609 [0,1,0,1,0,0|1,0,1]=4 397 B9R1.8 COCC1CCCCN1 Q60043 [0,1,0,1,0,0|1,0,1]=4 398 B9R1.15 CCN1CCNCC1=O A-474 [0,1,0,1,0,0|2,0,0]=4 399 B9R1.15 CN1CCCCC1C=O Q60366 [0,1,0,1,0,0|1,0,1]=4 400 B9R1.15 CNC1CCCCC1=O O32079 [0,1,0,1,0,0|1,0,0]=3 401 B9R1.15 COC1CCCCC1=O P44670 [0,1,0,1,0,0|0,0,0]=2 402 B9R1.15 COC1CCCCC1N P45618 [0,1,0,1,0,0|1,0,1]=4 403 B9R1.15 COC1COCCC1=O C-3417 [0,1,0,1,0,0|1,0,0]=3 404 B9R1.15 COC1OCCCC1=O L19674 [0,1,0,1,0,0|1,0,0]=3 405 B9R1.15 CO[C@@H]1CCCC[C@@H]1N P45281 [0,1,0,1,0,0|1,0,1]=4 406 B9R1.15 CO[C@@H]1CCCC[C@@H]1N P48339 [0,1,0,1,0,0|1,0,1]=4 407 B9R1.15 CO[C@@H]1CCCC[C@H]1N P45280 [0,1,0,1,0,0|1,0,1]=4 408 B9R1.15 CO[C@@H]1CCCC[C@H]1N P48092 [0,1,0,1,0,0|1,0,1]=4 409 B9R1.15 CO[C@@H]1COCCC1=O Q55743 [0,1,0,1,0,0|1,0,0]=3 410 B9R1.15 CO[C@H]1CCCC[C@@H]1N P47400 [0,1,0,1,0,0|1,0,1]=4 411 B9R1.15 CO[C@H]1CCCC[C@H]1N P45253 [0,1,0,1,0,0|1,0,1]=4 412 B9R1.15 CO[C@H]1COCCC1=O Q55744 [0,1,0,1,0,0|1,0,0]=3 413 B9R1.15 N#CC1CCCCC1=O P44647 [0,1,0,1,0,0|1,0,1]=4 414 B9R1.15 O=C1COCCC1CO Q64449 [0,1,0,1,0,0|2,0,0]=4 415 B9R1.15 O=CC1CCCCC1=O P49435 [0,1,0,1,0,0|1,0,1]=4 416 B9R1.33 COCC1CCCC1=O O31995 [0,1,0,1,0,0|2,0,0]=4 417 B9R1.33 NCCN1CCOC1=O M22885 [0,1,0,1,0,0|2,0,0]=4 418 B9R1.33 O=C1OCCC1CCBr Q69615 [0,1,0,1,0,0|1,0,0]=3 419 B9R1.48 CC1CC(=O)NCCN1 G-6003 [0,1,0,1,0,0|2,0,0]=4 420 B9R1.48 NC1CCCNC(=O)C1 S72677 [0,1,0,1,0,0|1,0,0]=3 421 B9R1.48 O=C1CCCNC(=O)C1 M15285 [0,1,0,1,0,0|1,0,1]=4 422 B9R1.49 CN1CCNC(=O)CC1 O34314 [0,1,0,1,0,0|2,0,0]=4 423 B9R1.69 CC1CC(=O)CCC1O P44912 [0,1,0,1,0,0|2,0,0]=4 424 B9R1.69 CC1CCC(=O)C(C)C1 Q59598 [0,1,0,1,0,0|1,0,0]=3 425 B9R1.69 CC1CCC(=O)OC1=O Q61441 [0,1,0,1,0,0|0,0,1]=3 426 B9R1.69 CC1CN(C)CCC1=O Q65019 [0,1,0,1,0,0|2,0,0]=4 427 B9R1.69 CN1CC(N)CCC1=O C-3402 [0,1,0,1,0,0|1,0,0]=3 428 B9R1.69 CN1CCC(=O)CC1=O H-8214 [0,1,0,1,0,0|1,0,1]=4 429 B9R1.69 CN1CCC(N)CC1=O C-2257 [0,1,0,1,0,0|1,0,0]=3 430 B9R1.69 CN1C[C@@H](N)CCC1=O Q64391 [0,1,0,1,0,0|1,0,0]=3 431 B9R1.69 CN1C[C@H](N)CCC1=O Q64392 [0,1,0,1,0,0|1,0,0]=3 432 B9R1.69 C[C@@H]1CC(=O)CC[C@H]1O P49131 [0,1,0,1,0,0|2,0,0]=4 433 B9R1.69 C[C@@H]1CCC(=O)CN1C Q56726 [0,1,0,1,0,0|1,0,0]=3 434 B9R1.69 C[C@@H]1CN(C)C(=O)CN1 A-475 [0,1,0,1,0,0|2,0,0]=4 435 B9R1.69 C[C@@H]1CN(C)C(=O)CN1 P43921 [0,1,0,1,0,0|2,0,0]=4 436 B9R1.69 C[C@@H]1CN(C)CCC1=O Q65018 [0,1,0,1,0,0|2,0,0]=4 437 B9R1.69 C[C@@H]1CNC(=O)[C@@H](C)N1 P49014 [0,1,0,1,0,0|2,0,0]=4 438 B9R1.69 C[C@H]1CCC(=O)CN1C Q56727 [0,1,0,1,0,0|1,0,0]=3 439 B9R1.69 C[C@H]1CN(C)C(=O)CN1 A-476 [0,1,0,1,0,0|2,0,0]=4 440 B9R1.69 C[C@H]1CN(C)C(=O)CN1 L13867 [0,1,0,1,0,0|2,0,0]=4 441 B9R1.69 C[C@H]1CN(C)CCC1=O Q65017 [0,1,0,1,0,0|2,0,0]=4 442 B9R1.69 C[C@H]1CNC(=O)[C@H](C)N1 P49725 [0,1,0,1,0,0|2,0,0]=4 443 B9R1.73 CCCC(=O)C1CCC1 P45625 [0,1,0,1,0,0|1,0,0]=3 444 B9R1.73 CCNC(=O)C1CNC1 P48513 [0,1,0,1,0,0|2,0,0]=4 445 B9R1.73 CCNC(=O)C1CNC1 P48516 [0,1,0,1,0,0|2,0,0]=4 446 B9R1.73 CCOC(=O)C1CCN1 P40788 [0,1,0,1,0,0|1,0,0]=3 447 B9R1.73 CCOC(=O)C1CNC1 C-2881 [0,1,0,1,0,0|1,0,0]=3 448 B9R1.73 CCOC(=O)[C@@H]1CCN1 P34796 [0,1,0,1,0,0|1,0,0]=3 449 B9R1.73 N#CCC(=O)C1CCC1 C-3303 [0,1,0,1,0,0|1,0,1]=4 450 B9R1.73 O=C(CCCl)N1CCC1 P42685 [0,1,0,1,0,0|2,0,0]=4 451 B9R1.75 CCOC(=O)CC1CC1 L14011 [0,1,0,1,0,0|0,0,0]=2 452 B9R1.75 O=C(CCCl)NC1CC1 P37314 [0,1,0,1,0,0|2,0,0]=4 453 B9R1.183 CCOC(=O)C1N=C1C K16119 [0,1,0,1,0,0|1,0,1]=4 454 B9R1.3 CC1CCCC(=O)C1C Q59611 [0,1,0,1,0,0|1,0,0]=3 455 B9R1.3 CN1CCCC(Br)C1=O Q59933 [0,1,0,1,0,0|1,0,0]=3 456 B9R1.3 CN1CCCC(N)C1=O G-7295 [0,1,0,1,0,0|1,0,0]=3 457 B9R1.3 CN1CCCC(N)C1=O Q56451 [0,1,0,1,0,0|1,0,0]=3 458 B9R1.3 CN1CCC[C@@H](N)C1=O Q63634 [0,1,0,1,0,0|1,0,0]=3 459 B9R1.3 CN1CCC[C@H](N)C1=O P51619 [0,1,0,1,0,0|1,0,0]=3 460 B9R1.3 CN1CCC[C@H](N)C1=O Q63633 [0,1,0,1,0,0|1,0,0]=3 461 B9R1.3 C[C@@H]1CNCC(=O)N1C K13421 [0,1,0,1,0,0|1,0,0]=3 462 B9R1.3 O=C1CCCC(Br)C1=O P45897 [0,1,0,1,0,0|2,0,0]=4 463 B9R1.5 CN1CCCNCC1=O G-7681 [0,1,0,1,0,0|1,0,0]=3 464 B9R1.5 CN1CCCNCC1=O O34334 [0,1,0,1,0,0|1,0,0]=3 465 B9R1.5 N[C@@H]1CCCCNC1=O O34511 [0,1,0,1,0,0|1,0,0]=3 466 B9R1.5 N[C@H]1CCCCNC1=O F-4004 [0,1,0,1,0,0|1,0,0]=3 467 B9R1.5 N[C@H]1CCCCNC1=O O34512 [0,1,0,1,0,0|1,0,0]=3 468 B9R1.11 C#CC(=O)N1CCCC1 L19199 [0,1,0,1,0,0|1,0,1]=4 469 B9R1.11 CNC(=O)C1CCCN1 O28788 [0,1,0,1,0,0|1,0,0]=3 470 B9R1.11 CNC(=O)C1CCNC1 O28288 [0,1,0,1,0,0|1,0,0]=3 471 B9R1.11 CNC(=O)[C@@H]1CCCN1 P38764 [0,1,0,1,0,0|1,0,0]=3 472 B9R1.11 CNC(=O)[C@H]1CCCN1 O28766 [0,1,0,1,0,0|1,0,0]=3 473 B9R1.11 COC(=O)C1CCNC1 G-5251 [0,1,0,1,0,0|0,0,0]=2 474 B9R1.11 COC(=O)C1CCOC1 G-5350 [0,1,0,1,0,0|0,0,0]=2 475 B9R1.11 COC(=O)[C@@H]1CCNC1 G-5253 [0,1,0,1,0,0|0,0,0]=2 476 B9R1.11 COC(=O)[C@@H]1CCNC1 L13624 [0,1,0,1,0,0|0,0,0]=2 477 B9R1.11 COC(=O)[C@@H]1CCOC1 I-9185 [0,1,0,1,0,0|0,0,0]=2 478 B9R1.11 COC(=O)[C@H]1CCNC1 G-5252 [0,1,0,1,0,0|0,0,0]=2 479 B9R1.11 COC(=O)[C@H]1CCNC1 G-6750 [0,1,0,1,0,0|0,0,0]=2 480 B9R1.11 COC(=O)[C@H]1CCOC1 L18447 [0,1,0,1,0,0|0,0,0]=2 481 B9R1.11 NCC(=O)C1CCCC1 L19802 [0,1,0,1,0,0|2,0,0]=4 482 B9R1.11 NCC(=O)N1CCCC1 10067 [0,1,0,1,0,0|2,0,0]=4 483 B9R1.11 NCC(=O)N1CCCC1 P38567 [0,1,0,1,0,0|2,0,0]=4 484 B9R1.11 O=C(NO)C1CCCN1 Q59359 [0,1,0,1,0,0|2,0,0]=4 485 B9R1.37 CC1C(=O)CC(=O)N1C O29270 [0,1,0,1,0,0|1,0,1]=4 486 B9R1.82 C=C1CC(C(=O)OC)C1 I-9440 [0,1,0,1,0,0|0,0,1]=3 487 B9R1.82 CCC(=O)N1CC(N)C1 O29913 [0,1,0,1,0,0|2,0,0]=4 488 B9R1.82 CNC(=O)C1CC(O)C1 P49829 [0,1,0,1,0,0|1,0,0]=3 489 B9R1.82 COC(=O)C1CC(=O)C1 C-2246 [0,1,0,1,0,0|0,0,1]=3 490 B9R1.82 COC(=O)C1CC(Br)C1 H-8052 [0,1,0,1,0,0|0,0,0]=2 491 B9R1.82 COC(=O)C1CC(Cl)C1 G-6592 [0,1,0,1,0,0|0,0,0]=2 492 B9R1.82 COC(=O)C1CC(F)C1 P47896 [0,1,0,1,0,0|0,0,0]=2 493 B9R1.82 COC(=O)C1CC(N)C1 P49386 [0,1,0,1,0,0|0,0,0]=2 494 B9R1.82 COC(=O)C1CC(N)C1 Q52519 [0,1,0,1,0,0|0,0,0]=2 495 B9R1.82 COC(=O)C1CC(O)C1 A-434 [0,1,0,1,0,0|0,0,0]=2 496 B9R1.82 COC(=O)C1CC(O)C1 F-4098 [0,1,0,1,0,0|0,0,0]=2 497 B9R1.82 COC(=O)C1CC(O)C1 F-4099 [0,1,0,1,0,0|0,0,0]=2 498 B9R1.82 COC(=O)N1CC(N)C1 P45916 [0,1,0,1,0,0|1,0,0]=3 499 B9R1.82 COC(=O)N1CC(N)C1 P47078 [0,1,0,1,0,0|1,0,0]=3 500 B9R1.82 COC(=O)N1CC(O)C1 L21408 [0,1,0,1,0,0|1,0,0]=3 501 B9R1.82 COC(=O)[C@H]1C[C@@H](Br)C1 P47452 [0,1,0,1,0,0|0,0,0]=2 502 B9R1.82 COC(=O)[C@H]1C[C@@H](F)C1 P50695 [0,1,0,1,0,0|0,0,0]=2 503 B9R1.82 COC(=O)[C@H]1C[C@@H](N)C1 G-5199 [0,1,0,1,0,0|0,0,0]=2 504 B9R1.82 COC(=O)[C@H]1C[C@H](Br)C1 G-7774 [0,1,0,1,0,0|0,0,0]=2 505 B9R1.82 COC(=O)[C@H]1C[C@H](F)C1 P44032 [0,1,0,1,0,0|0,0,0]=2 506 B9R1.82 COC(=O)[C@H]1C[C@H](N)C1 G-5470 [0,1,0,1,0,0|0,0,0]=2 507 B9R1.82 COC(=O)[C@H]1C[C@H](N)C1 P44094 [0,1,0,1,0,0|0,0,0]=2 508 B9R1.88 COC(=O)C1CC1CN I-9340 [0,1,0,1,0,0|0,0,0]=2 509 B9R1.88 COC(=O)[C@H]1C[C@@H]1CO Q54349 [0,1,0,1,0,0|0,0,0]=2 510 B9R1.101 COC(=O)C(N)C1CC1 P37580 [0,1,0,1,0,0|0,0,0]=2 511 B9R1.101 COC(=O)[C@@H](N)C1CC1 P41444 [0,1,0,1,0,0|0,0,0]=2 512 B9R1.101 COC(=O)[C@H](N)C1CC1 P41443 [0,1,0,1,0,0|0,0,0]=2 513 B9R1.132 CN1C(=O)CCC1CBr L20735 [0,1,0,1,0,0|1,0,0]=3 514 B9R1.132 CN1C(=O)CCC1CO M23749 [0,1,0,1,0,0|1,0,0]=3 515 B9R1.132 CN1C(=O)CC[C@@H]1CN Q64631 [0,1,0,1,0,0|1,0,0]=3 516 B9R1.132 CN1C(=O)CC[C@@H]1CO Q64630 [0,1,0,1,0,0|1,0,0]=3 517 B9R1.132 CN1C(=O)CC[C@H]1CO Q64629 [0,1,0,1,0,0|1,0,0]=3 518 B9R1.186 COC(=O)C1(Br)CCC1 P45536 [0,1,0,1,0,0|0,0,0]=2 519 B9R1.186 COC(=O)C1(C)CCN1 P44081 [0,1,0,1,0,0|1,0,0]=3 520 B9R1.186 COC(=O)C1(C)CNC1 G-7957 [0,1,0,1,0,0|1,0,0]=3 521 B9R1.186 COC(=O)C1(F)CNC1 G-7956 [0,1,0,1,0,0|1,0,0]=3 522 B9R1.186 COC(=O)C1(F)CNC1 P48605 [0,1,0,1,0,0|1,0,0]=3 523 B9R1.186 COC(=O)C1(N)CCC1 F-4742 [0,1,0,1,0,0|0,0,0]=2 524 B9R1.186 COC(=O)C1(N)CCC1 P46174 [0,1,0,1,0,0|0,0,0]=2 525 B9R1.186 COC(=O)C1(N)CNC1 P48614 [0,1,0,1,0,0|1,0,0]=3 526 B9R1.186 COC(=O)C1(N)COC1 G-5856 [0,1,0,1,0,0|1,0,0]=3 527 B9R1.186 COC(=O)C1(O)CCC1 P44931 [0,1,0,1,0,0|0,0,0]=2 528 B9R1.186 COC(=O)C1(O)CNC1 P44745 [0,1,0,1,0,0|1,0,0]=3 529 B9R1.186 COC(=O)C1(O)CNC1 P46788 [0,1,0,1,0,0|1,0,0]=3 530 B9R1.186 COC(=O)[C@@]1(C)CCN1 P43765 [0,1,0,1,0,0|1,0,0]=3 531 B9R1.186 COC(=O)[C@]1(C)CCN1 P43764 [0,1,0,1,0,0|1,0,0]=3 532 B9R1.1 C#CC1CCC(=O)CC1 Q53472 [0,1,0,1,0,0|1,0,1]=4 533 B9R1.1 CNC1CCC(=O)CC1 P41929 [0,1,0,1,0,0|1,0,0]=3 534 B9R1.1 CNC1CCS(=O)CC1 Q57925 [0,1,0,1,0,0|2,0,0]=4 535 B9R1.1 CNC1CCS(=O)CC1 Q57926 [0,1,0,1,0,0|2,0,0]=4 536 B9R1.1 COC1CCC(=O)CC1 P34719 [0,1,0,1,0,0|1,0,0]=3 537 B9R1.1 COC1CCC(O)CC1 P40387 [0,1,0,1,0,0|1,0,1]=4 538 B9R1.1 CO[C@H]1CC[C@H](N)CC1 O33520 [0,1,0,1,0,0|1,0,1]=4 539 B9R1.1 CO[C@H]1CC[C@H](N)CC1 P37077 [0,1,0,1,0,0|1,0,1]=4 540 B9R1.1 N#CC1CCC(=O)CC1 O33986 [0,1,0,1,0,0|1,0,1]=4 541 B9R1.1 NCC1CCC(=O)NC1 F-4482 [0,1,0,1,0,0|1,0,0]=3 542 B9R1.1 O=C1CCC(CBr)CN1 L20956 [0,1,0,1,0,0|1,0,0]=3 543 B9R1.1 O=C1CCC(CO)CC1 O32541 [0,1,0,1,0,0|1,0,0]=3 544 B9R1.1 O=C1CCC(CO)CN1 H-8442 [0,1,0,1,0,0|1,0,0]=3 545 B9R1.1 O=C1CO[C@@H](CO)CN1 Q65251 [0,1,0,1,0,0|2,0,0]=4 546 B9R1.1 O=C1CO[C@H](CO)CN1 Q65252 [0,1,0,1,0,0|2,0,0]=4 547 B9R1.79 CCC(=O)NC1CNC1 P47079 [0,1,0,1,0,0|2,0,0]=4 548 B9R1.79 CNC(=O)NC1CNC1 P47041 [0,1,0,1,0,0|2,0,0]=4 549 B9R1.79 CNC(=O)NC1CNC1 P49948 [0,1,0,1,0,0|2,0,0]=4 550 B9R1.79 CNC(=O)OC1CNC1 P49999 [0,1,0,1,0,0|2,0,0]=4 551 B9R1.79 COC(=O)C=C1CCC1 P48215 [0,1,0,1,0,0|0,0,1]=3 552 B9R1.79 COC(=O)C=C1CNC1 P48502 [0,1,0,1,0,0|0,0,2]=4 553 B9R1.79 COC(=O)C=C1COC1 C-2214 [0,1,0,1,0,0|0,0,2]=4 554 B9R1.79 COC(=O)CC1CCC1 O28770 [0,1,0,1,0,0|0,0,0]=2 555 B9R1.79 COC(=O)CC1CNC1 C-3312 [0,1,0,1,0,0|0,0,0]=2 556 B9R1.79 COC(=O)CC1CNC1 C-3312-1 [0,1,0,1,0,0|0,0,0]=2 557 B9R1.79 COC(=O)CC1CNC1 P34702 [0,1,0,1,0,0|0,0,0]=2 558 B9R1.79 COC(=O)CC1COC1 G-5284 [0,1,0,1,0,0|0,0,0]=2 559 B9R1.79 COC(=O)NC1CNC1 P47019 [0,1,0,1,0,0|1,0,0]=3 560 B9R1.79 COC(=O)NC1CNC1 P48973 [0,1,0,1,0,0|1,0,0]=3 561 B9R1.79 O=C(CBr)CC1CCC1 P47346 [0,1,0,1,0,0|2,0,0]=4 562 B9R1.80 COC(=O)CNC1CC1 L20586 [0,1,0,1,0,0|0,0,0]=2 563 B9R1.80 COC(=O)CNC1CC1 P36966 [0,1,0,1,0,0|0,0,0]=2 564 B9R1.80 COC(=O)\C=C\C1CC1 O29404 [0,1,0,1,0,0|0,0,1]=3 565 B9R1.80 O=C(CCl)NCC1CC1 M23153 [0,1,0,1,0,0|2,0,0]=4 566 B9R1.81 COC(=O)C1CCC1N P48812 [0,1,0,1,0,0|0,0,0]=2 567 B9R1.81 COC(=O)C1CCN1C P45741 [0,1,0,1,0,0|0,0,0]=2 568 B9R1.81 COC(=O)C1CNC1C L14496 [0,1,0,1,0,0|0,0,0]=2 569 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N F-4529 [0,1,0,1,0,0|0,0,0]=2 570 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N G-6951 [0,1,0,1,0,0|0,0,0]=2 571 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N K12006 [0,1,0,1,0,0|0,0,0]=2 572 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N P48655 [0,1,0,1,0,0|0,0,0]=2 573 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N P50299 [0,1,0,1,0,0|0,0,0]=2 574 B9R1.81 COC(=O)[C@@H]1CC[C@H]1N P47008 [0,1,0,1,0,0|0,0,0]=2 575 B9R1.81 COC(=O)[C@@H]1CC[C@H]1N Q56097 [0,1,0,1,0,0|0,0,0]=2 576 B9R1.81 COC(=O)[C@@H]1CN[C@H]1C P50301 [0,1,0,1,0,0|0,0,0]=2 577 B9R1.81 COC(=O)[C@H]1CC[C@H]1N P48086 [0,1,0,1,0,0|0,0,0]=2 578 B9R1.81 COC(=O)[C@H]1CC[C@H]1N Q52809 [0,1,0,1,0,0|0,0,0]=2 579 B9R1.89 COC1CCCNCC1 C-2753 [0,1,0,1,0,0|1,0,1]=4 580 B9R1.89 COC1CCCNCC1 C-2753-1 [0,1,0,1,0,0|1,0,1]=4 581 B9R1.118 COC1(C)CCNCC1 O28390 [0,1,0,1,0,0|1,0,1]=4 582 B9R1.23 CN1CC(CBr)CC1=O L20739 [0,1,0,1,0,0|2,0,0]=4 583 B9R1.23 CN1CC(CN)CC1=O I-9450 [0,1,0,1,0,0|2,0,0]=4 584 B9R1.23 CN1CC(CN)CC1=O L18600 [0,1,0,1,0,0|2,0,0]=4 585 B9R1.23 CN1CC(CO)CC1=O L22372 [0,1,0,1,0,0|2,0,0]=4 586 B9R1.23 CN1C[C@@H](CN)CC1=O Q64125 [0,1,0,1,0,0|2,0,0]=4 587 B9R1.23 CN1C[C@H](CN)CC1=O Q64124 [0,1,0,1,0,0|2,0,0]=4 588 B9R1.35 O=C1NC(C(F)F)CO1 P47208 [0,1,0,1,0,0|2,0,0]=4 589 B9R1.35 O=C1N[C@H](C(F)F)CO1 P46407 [0,1,0,1,0,0|2,0,0]=4 590 B9R1.40 CC1(C)CCCCC1=O P49436 [0,1,0,1,0,0|1,0,0]=3 591 B9R1.40 CC1(C)CNCCC1=O G-7989 [0,1,0,1,0,0|2,0,0]=4 592 B9R1.40 CC1(C)COCCC1=O L13076 [0,1,0,1,0,0|2,0,0]=4 593 B9R1.40 CC1(C)OCCCC1=O Q61432 [0,1,0,1,0,0|2,0,0]=4 594 B9R1.40 CC1(O)COCCC1=O Q54633 [0,1,0,1,0,0|2,0,0]=4 595 B9R1.40 O=C1CCCCC1(F)F P44010 [0,1,0,1,0,0|2,0,0]=4 596 B9R1.95 COC1CC(C(C)N)C1 P47336 [0,1,0,1,0,0|1,0,1]=4 597 B9R1.110 CC(Br)C(=O)C1CCC1 P47345 [0,1,0,1,0,0|1,0,0]=3 598 B9R1.110 CN(C)C(=O)C1CCC1 P45456 [0,1,0,1,0,0|1,0,0]=3 599 B9R1.110 CN(C)C(=O)C1CCN1 O28171 [0,1,0,1,0,0|2,0,0]=4 600 B9R1.110 CN(C)C(=O)C1CNC1 C-3421 [0,1,0,1,0,0|2,0,0]=4 601 B9R1.110 CN(C)C(=O)C1CNC1 C-3421-01 [0,1,0,1,0,0|2,0,0]=4 602 B9R1.10 C=C1CCC(C)(O)CC1 P43800 [0,1,0,1,0,0|2,0,0]=4 603 B9R1.10 CC1(C)CC=C(Br)CC1 N24756 [0,1,0,1,0,0|2,0,0]=4 604 B9R1.10 CC1(C)CCC(=O)NC1 Q63050 [0,1,0,1,0,0|1,0,0]=3 605 B9R1.10 CC1(C)CCC(N)=NC1 Q65224 [0,1,0,1,0,0|2,0,0]=4 606 B9R1.10 CC1(C)CNC(=O)CN1 L13881 [0,1,0,1,0,0|2,0,0]=4 607 B9R1.10 CC1(N)CCC(=O)CC1 P48980 [0,1,0,1,0,0|1,0,0]=3 608 B9R1.10 CC1(N)CCS(=O)CC1 Q57987 [0,1,0,1,0,0|2,0,0]=4 609 B9R1.10 CC1(O)CCC(=O)CC1 D-2566 [0,1,0,1,0,0|1,0,0]=3 610 B9R1.10 O=C1CCC(F)(F)CC1 G-7873 [0,1,0,1,0,0|2,0,0]=4 611 B9R1.10 O=C1CCC(F)(F)CN1 I-9477 [0,1,0,1,0,0|2,0,0]=4 612 B9R1.125 CC1(CO)CNC(=O)C1 Q61575 [0,1,0,1,0,0|2,0,0]=4 613 B9R1.204 COC1(C=O)CCCC1 Q57291 [0,1,0,1,0,0|0,0,1]=3 614 B9R2.33 O=C1CC2CCC2C1 Q54738 [0,0,0,2,0,0|1,0,0]=3 615 B9R2.33 O=C1NC2CCC2O1 Q58026 [0,0,0,2,0,0|1,0,0]=3 616 B9R2.39 O=C1CC2CC1CN2 P47120 [0,0,0,2,0,0|2,0,0]=4 617 B9R2.39 O=C1CC2CC1CO2 P49791 [0,0,0,2,0,0|2,0,0]=4 618 B9R2.39 O=C1CC2CCC1O2 P45436 [0,0,0,2,0,0|2,0,0]=4 619 B9R2.39 O=C1CC2CNC1C2 P46610 [0,0,0,2,0,0|2,0,0]=4 620 B9R2.39 O=C1CN2CCC1C2 P44394 [0,0,0,2,0,0|2,0,0]=4 621 B9R2.39 O=C1C[C@@H]2CC[C@H]1C2 P45557 [0,0,0,2,0,0|1,0,0]=3 622 B9R2.39 O=C1C[C@@H]2CC[C@H]1C2 Q52554 [0,0,0,2,0,0|1,0,0]=3 623 B9R2.39 O=C1C[C@H]2C[C@@H]1CN2 P49261 [0,0,0,2,0,0|2,0,0]=4 624 B9R2.39 O=C1NC2CCC1C2 P45900 [0,0,0,2,0,0|2,0,0]=4 625 B9R2.39 O=C1OC2CCC1C2 P45453 [0,0,0,2,0,0|2,0,0]=4 626 B9R2.139 O=C1CC2(CC2)CO1 O33397 [0,0,0,2,0,0|0,0,0]=2 627 B9R2.139 O=C1CCC2(CC2)C1 Q62619 [0,0,0,2,0,0|1,0,0]=3 628 B9R2.53 O=C1C2CNCC1C2 O32961 [0,0,0,2,0,0|2,0,0]=4 629 B9R2.53 O=C1C2CNCC1C2 P48314 [0,0,0,2,0,0|2,0,0]=4 630 B9R2.19 O=C1CCC2CC1C2 P44051 [0,0,0,2,0,0|1,0,0]=3 631 B9R2.19 O=C1NCC2CC1C2 K16109 [0,0,0,2,0,0|1,0,0]=3 632 B9R2.19 O=C1NCC2CC1N2 P44085 [0,0,0,2,0,0|2,0,0]=4 633 B9R2.21 O=C1CC2CC2CN1 Q53445 [0,0,0,2,0,0|1,0,0]=3 634 B9R2.21 O=C1CCC2CC2N1 Q53446 [0,0,0,2,0,0|1,0,0]=3 635 B9R2.109 O=C1CCCC2CC12 H-8032 [0,0,0,2,0,0|1,0,0]=3 636 B9R2.109 O=C1CCCC2OC12 10693 [0,0,0,2,0,0|2,0,0]=4 637 B9R2.109 O=C1COCC2CC12 Q63936 [0,0,0,2,0,0|2,0,0]=4 638 B9R2.109 O=C1NCCC2CC12 Q61174 [0,0,0,2,0,0|1,0,0]=3 639 B9R2.140 O=C1CCC12CCC2 Q56022 [0,0,0,2,0,0|1,0,0]=3 640 B9R2.140 O=C1CCC12CNC2 Q56056 [0,0,0,2,0,0|2,0,0]=4 641 B9R2.140 O=C1CCC12COC2 Q55990 [0,0,0,2,0,0|2,0,0]=4 642 B9R2.7 O=C1CC2CNCC12 Q55051 [0,0,0,2,0,0|2,0,0]=4