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|2,0,0]=2 3 B7R0.3 CC\C=C\C(=O)OC Q70108 [0,0,0,0,0,0|2,0,1]=3 4 B7R0.3 CNC(=O)CCCN P40550 [0,0,0,0,0,0|3,0,0]=3 5 B7R0.3 CNCCC(=O)NC P37767 [0,0,0,0,0,0|3,0,0]=3 6 B7R0.3 CNCCC(=O)OC P36826 [0,0,0,0,0,0|3,0,0]=3 7 B6R0.1 CCC(=O)CC#N P38761 [1,0,0,0,0,0|1,0,1]=3 8 B6R0.1 CCC(S)CCO O29430 [1,0,0,0,0,0|1,1,1]=4 9 B6R0.1 CCC[C@@H](N)CO P35977 [1,0,0,0,0,0|2,0,1]=4 10 B6R0.1 CCC[C@H](N)CO P39535 [1,0,0,0,0,0|2,0,1]=4 11 B6R0.1 CCN(C)CCO Q66070 [1,0,0,0,0,0|3,0,0]=4 12 B6R0.1 CCNC(=O)CN P39222 [1,0,0,0,0,0|2,0,0]=3 13 B6R0.1 CCNC(=O)CO O31312 [1,0,0,0,0,0|2,0,0]=3 14 B6R0.1 CCNC(=O)NC M15284 [1,0,0,0,0,0|2,0,0]=3 15 B6R0.1 CCOC(=N)CCl P38507 [1,0,0,0,0,0|2,0,0]=3 16 B6R0.1 CNC(=O)CCCl P38167 [1,0,0,0,0,0|2,0,0]=3 17 B6R0.1 CNC(=O)CCN P37692 [1,0,0,0,0,0|2,0,0]=3 18 B6R0.1 CNCC(=O)NC P37691 [1,0,0,0,0,0|2,0,0]=3 19 B6R0.1 CNCC(=O)NC P38046 [1,0,0,0,0,0|2,0,0]=3 20 B6R0.4 C#CCNC(C)=O P36776 [1,0,0,0,0,0|1,0,2]=4 21 B6R0.4 C#CCOC(N)=O O30954 [1,0,0,0,0,0|1,0,2]=4 22 B6R0.4 CCNCC(=O)O P37534 [1,0,0,0,0,0|3,0,0]=4 23 B6R0.4 CCNCC(N)=O P36580 [1,0,0,0,0,0|3,0,0]=4 24 B6R0.4 CNCCC(=O)O P36779 [1,0,0,0,0,0|3,0,0]=4 25 B6R0.4 CNCCC(=O)O P39205 [1,0,0,0,0,0|3,0,0]=4 26 B6R0.4 CNCCC(N)=O P37896 [1,0,0,0,0,0|3,0,0]=4 27 B6R0.6 NCCOCCN P39125 [1,0,0,0,0,0|2,0,1]=4 28 B6R0.6 OCCOCCBr P37296 [1,0,0,0,0,0|2,0,1]=4 29 B6R0.6 OCCOCCI P41754 [1,0,0,0,0,0|2,0,1]=4 30 B8R0.1 C=CCOC(=O)CCC Q69608 [0,1,0,0,0,0|0,0,2]=3 31 B8R0.1 CCC#CC(=O)OCC Q56870 [0,1,0,0,0,0|1,0,1]=3 32 B8R0.1 CCCCN(C)CCO Q66068 [0,1,0,0,0,0|3,0,0]=4 33 B8R0.1 CCCNC(=O)CCN P42190 [0,1,0,0,0,0|1,0,0]=2 34 B8R0.1 CCCNC(=O)CNC P35278 [0,1,0,0,0,0|1,0,0]=2 35 B8R0.1 CCCNC(=O)CNC P42832 [0,1,0,0,0,0|1,0,0]=2 36 B8R0.3 CCCC(N)C(=O)OC P43113 [0,1,0,0,0,0|2,0,0]=3 37 B8R0.6 CNCCCC(=O)OC H-8710 [0,1,0,0,0,0|2,0,0]=3 38 B8R0.6 COC(=O)CCCCN P38983 [0,1,0,0,0,0|2,0,0]=3 39 B8R0.8 CC(C)C(=O)NCCN P37576 [0,1,0,0,0,0|2,0,0]=3 40 B8R0.8 CNCCC(=O)N(C)C P40566 [0,1,0,0,0,0|3,0,0]=4 41 B8R0.9 CC(C)CNC(=O)CCl P38819 [0,1,0,0,0,0|2,0,0]=3 42 B8R0.9 NCC(=O)NCC(F)F P51197 [0,1,0,0,0,0|3,0,0]=4 43 B8R1.1 C=CC1CCC(=O)C1 Q57034 [0,0,0,1,0,0|1,0,2]=4 44 B8R1.1 CCC1CCC(C)N1 Q59319 [0,0,0,1,0,0|2,0,1]=4 45 B8R1.1 CNC1CNC(=O)C1 L19088 [0,0,0,1,0,0|3,0,0]=4 46 B8R1.1 CN[C@H]1CNC(=O)C1 Q61671 [0,0,0,1,0,0|3,0,0]=4 47 B8R1.1 N#C[C@@H]1CCC(=O)C1 Q55084 [0,0,0,1,0,0|2,0,1]=4 48 B8R1.1 N#C[C@H]1CCC(=O)C1 Q55085 [0,0,0,1,0,0|2,0,1]=4 49 B8R1.1 NCC1CNC(=O)C1 G-5016 [0,0,0,1,0,0|3,0,0]=4 50 B8R1.1 NCC1CNC(=O)C1 G-5352 [0,0,0,1,0,0|3,0,0]=4 51 B8R1.1 NCC1CNC(=O)O1 F-4726 [0,0,0,1,0,0|2,0,0]=3 52 B8R1.1 NCC1CNC(=O)O1 L13152 [0,0,0,1,0,0|2,0,0]=3 53 B8R1.1 NCC1COC(=O)N1 L13942 [0,0,0,1,0,0|3,0,0]=4 54 B8R1.1 NC[C@@H]1CCC(=O)N1 10036 [0,0,0,1,0,0|2,0,0]=3 55 B8R1.1 NC[C@@H]1CCC(=O)N1 O33611 [0,0,0,1,0,0|2,0,0]=3 56 B8R1.1 NC[C@@H]1CNC(=O)C1 I-9821 [0,0,0,1,0,0|3,0,0]=4 57 B8R1.1 NC[C@@H]1CNC(=O)C1 L13273 [0,0,0,1,0,0|3,0,0]=4 58 B8R1.1 NC[C@@H]1CNC(=O)O1 L13195 [0,0,0,1,0,0|2,0,0]=3 59 B8R1.1 NC[C@H]1CCC(=O)N1 10096 [0,0,0,1,0,0|2,0,0]=3 60 B8R1.1 NC[C@H]1CNC(=O)C1 I-9497 [0,0,0,1,0,0|3,0,0]=4 61 B8R1.1 NC[C@H]1CNC(=O)C1 L13364 [0,0,0,1,0,0|3,0,0]=4 62 B8R1.1 NC[C@H]1CNC(=O)O1 L22235 [0,0,0,1,0,0|2,0,0]=3 63 B8R1.1 O=C1CC(CO)CN1 M22864 [0,0,0,1,0,0|3,0,0]=4 64 B8R1.1 O=C1CC(CO)CO1 H-8701 [0,0,0,1,0,0|3,0,0]=4 65 B8R1.1 O=C1CCC(CO)C1 Q62791 [0,0,0,1,0,0|2,0,0]=3 66 B8R1.1 O=C1CCC(CO)N1 M23573 [0,0,0,1,0,0|2,0,0]=3 67 B8R1.1 O=C1CC[C@@H](CBr)C1 Q64130 [0,0,0,1,0,0|2,0,0]=3 68 B8R1.1 O=C1CC[C@@H](CBr)N1 P36413 [0,0,0,1,0,0|2,0,0]=3 69 B8R1.1 O=C1CC[C@@H](CF)N1 Q59250 [0,0,0,1,0,0|2,0,0]=3 70 B8R1.1 O=C1CC[C@@H](CO)C1 Q62794 [0,0,0,1,0,0|2,0,0]=3 71 B8R1.1 O=C1CC[C@@H](CO)O1 K12361 [0,0,0,1,0,0|1,0,0]=2 72 B8R1.1 O=C1CC[C@H](CBr)C1 Q64129 [0,0,0,1,0,0|2,0,0]=3 73 B8R1.1 O=C1CC[C@H](CBr)N1 P34760 [0,0,0,1,0,0|2,0,0]=3 74 B8R1.1 O=C1CC[C@H](CO)C1 Q62792 [0,0,0,1,0,0|2,0,0]=3 75 B8R1.1 O=C1NCC(CO)O1 F-4693 [0,0,0,1,0,0|2,0,0]=3 76 B8R1.1 O=C1NC[C@@H](CO)O1 L13350 [0,0,0,1,0,0|2,0,0]=3 77 B8R1.1 O=C1N[C@@H](CI)CO1 10034 [0,0,0,1,0,0|3,0,0]=4 78 B8R1.1 O=C1N[C@@H](CO)CO1 10001 [0,0,0,1,0,0|3,0,0]=4 79 B8R1.1 O=C1N[C@@H](CO)CS1 K13391 [0,0,0,1,0,0|3,0,0]=4 80 B8R1.1 O=C1N[C@H](CO)CO1 10026 [0,0,0,1,0,0|3,0,0]=4 81 B8R1.1 O=C1N[C@H](CO)CS1 K13390 [0,0,0,1,0,0|3,0,0]=4 82 B8R1.2 BrCC1=CCCCC1 G-7545 [0,0,0,1,0,0|3,0,0]=4 83 B8R1.2 CCC1CNCCO1 B-1069 [0,0,0,1,0,0|2,0,1]=4 84 B8R1.2 CC[C@@H]1CCCCN1 Q54717 [0,0,0,1,0,0|2,0,1]=4 85 B8R1.2 CC[C@@H]1CNCCO1 B-1071 [0,0,0,1,0,0|2,0,1]=4 86 B8R1.2 CC[C@H]1CNCCO1 B-1070 [0,0,0,1,0,0|2,0,1]=4 87 B8R1.2 NCC1=CCCCC1 P38792 [0,0,0,1,0,0|3,0,0]=4 88 B8R1.2 NC[C@@H]1CCCCO1 Q62567 [0,0,0,1,0,0|2,0,1]=4 89 B8R1.2 NC[C@H]1CCCCO1 Q62568 [0,0,0,1,0,0|2,0,1]=4 90 B8R1.2 OCC1=CCCCO1 Q54672 [0,0,0,1,0,0|2,0,0]=3 91 B8R1.2 OC[C@@H]1CCCCO1 F-4789 [0,0,0,1,0,0|2,0,1]=4 92 B8R1.2 OC[C@H]1CCCCO1 P43928 [0,0,0,1,0,0|2,0,1]=4 93 B8R1.3 C=C1CCC(=O)CC1 P44029 [0,0,0,1,0,0|1,0,2]=4 94 B8R1.3 C=C1CCC(N)CC1 L19013 [0,0,0,1,0,0|3,0,0]=4 95 B8R1.3 CC1C=CC(=O)CC1 K12331 [0,0,0,1,0,0|1,0,1]=3 96 B8R1.3 CC1CCC(=O)NC1 L13409 [0,0,0,1,0,0|1,0,0]=2 97 B8R1.3 CC1CNC(=O)CN1 P35228 [0,0,0,1,0,0|2,0,0]=3 98 B8R1.3 CC1COC(C)CN1 P42779 [0,0,0,1,0,0|2,0,1]=4 99 B8R1.3 C[C@@H]1CCC(=O)CN1 Q56751 [0,0,0,1,0,0|2,0,0]=3 100 B8R1.3 C[C@@H]1CCC(=O)CN1 Q56752 [0,0,0,1,0,0|2,0,0]=3 101 B8R1.3 C[C@@H]1CNC(=O)CN1 L14453 [0,0,0,1,0,0|2,0,0]=3 102 B8R1.3 C[C@@H]1CO[C@H](C)CN1 H-8048 [0,0,0,1,0,0|2,0,1]=4 103 B8R1.3 C[C@@H]1CO[C@H](C)CN1 K16121 [0,0,0,1,0,0|2,0,1]=4 104 B8R1.3 C[C@H]1CCC(=O)CN1 Q56753 [0,0,0,1,0,0|2,0,0]=3 105 B8R1.3 C[C@H]1CCC(=O)CN1 Q56754 [0,0,0,1,0,0|2,0,0]=3 106 B8R1.3 C[C@H]1CC[C@H](N)CC1 P45887 [0,0,0,1,0,0|2,0,1]=4 107 B8R1.3 C[C@H]1CNC(=O)CN1 L13879 [0,0,0,1,0,0|2,0,0]=3 108 B8R1.3 C[C@H]1CN[C@H](C)CO1 F-4331 [0,0,0,1,0,0|2,0,1]=4 109 B8R1.3 C[C@H]1CO[C@@H](C)CN1 M23096 [0,0,0,1,0,0|2,0,1]=4 110 B8R1.3 C[C@H]1CO[C@@H](C)CN1 O32398 [0,0,0,1,0,0|2,0,1]=4 111 B8R1.3 C[C@H]1CO[C@H](C)CN1 H-8444 [0,0,0,1,0,0|2,0,1]=4 112 B8R1.3 NC1CCC(=O)CC1 P36686 [0,0,0,1,0,0|2,0,0]=3 113 B8R1.3 NC1CCC(=O)NC1 C-3401 [0,0,0,1,0,0|2,0,0]=3 114 B8R1.3 NC1CCS(=O)CC1 Q54883 [0,0,0,1,0,0|3,0,0]=4 115 B8R1.3 NC1CCS(=O)CC1 Q54884 [0,0,0,1,0,0|3,0,0]=4 116 B8R1.3 N[C@@H]1CCC(=O)NC1 L21492 [0,0,0,1,0,0|2,0,0]=3 117 B8R1.3 N[C@H]1CCC(=O)NC1 L21629 [0,0,0,1,0,0|2,0,0]=3 118 B8R1.3 O=C1CCC(=O)NC1 Q52611 [0,0,0,1,0,0|2,0,1]=4 119 B8R1.3 O=C1CCC(=O)OC1 K12424 [0,0,0,1,0,0|1,0,1]=3 120 B8R1.3 O=C1CCC(Br)CC1 P39565 [0,0,0,1,0,0|2,0,0]=3 121 B8R1.3 O=C1CCC(F)CC1 L21631 [0,0,0,1,0,0|2,0,0]=3 122 B8R1.3 O=C1CCC(F)CN1 Q54421 [0,0,0,1,0,0|2,0,0]=3 123 B8R1.3 O=C1CC[C@H](O)CN1 Q52728 [0,0,0,1,0,0|2,0,0]=3 124 B8R1.3 O=S1CCC(O)CC1 Q57900 [0,0,0,1,0,0|3,0,0]=4 125 B8R1.5 CC1CCCNC1=O L13669 [0,0,0,1,0,0|1,0,0]=2 126 B8R1.5 CC1CCNCC1=O F-4040 [0,0,0,1,0,0|2,0,0]=3 127 B8R1.5 CC1CNCCC1=O O34502 [0,0,0,1,0,0|2,0,0]=3 128 B8R1.5 CC1COCCC1=O F-4697 [0,0,0,1,0,0|2,0,0]=3 129 B8R1.5 CC1NCCNC1=O O34501 [0,0,0,1,0,0|2,0,0]=3 130 B8R1.5 CN1CCNCC1=O G-5499 [0,0,0,1,0,0|3,0,0]=4 131 B8R1.5 CN1CCNCC1=O G-5499-1 [0,0,0,1,0,0|3,0,0]=4 132 B8R1.5 C[C@@H]1CCCC[C@@H]1N O34546 [0,0,0,1,0,0|2,0,1]=4 133 B8R1.5 C[C@@H]1CCCC[C@@H]1N P46167 [0,0,0,1,0,0|2,0,1]=4 134 B8R1.5 C[C@@H]1CCCC[C@H]1N P44819 [0,0,0,1,0,0|2,0,1]=4 135 B8R1.5 C[C@@H]1CCCC[C@H]1N P44820 [0,0,0,1,0,0|2,0,1]=4 136 B8R1.5 C[C@@H]1CCCC[C@H]1N P45791 [0,0,0,1,0,0|2,0,1]=4 137 B8R1.5 C[C@@H]1CCCN[C@@H]1C P45337 [0,0,0,1,0,0|2,0,1]=4 138 B8R1.5 C[C@@H]1CCCN[C@@H]1C Q61336 [0,0,0,1,0,0|2,0,1]=4 139 B8R1.5 C[C@@H]1NCCNC1=O O34331 [0,0,0,1,0,0|2,0,0]=3 140 B8R1.5 C[C@H]1CCCC[C@@H]1N P45803 [0,0,0,1,0,0|2,0,1]=4 141 B8R1.5 C[C@H]1CCCC[C@@H]1N P49914 [0,0,0,1,0,0|2,0,1]=4 142 B8R1.5 C[C@H]1CCCC[C@H]1N O34572 [0,0,0,1,0,0|2,0,1]=4 143 B8R1.5 C[C@H]1CCCC[C@H]1N P45166 [0,0,0,1,0,0|2,0,1]=4 144 B8R1.5 C[C@H]1NCCNC1=O O34330 [0,0,0,1,0,0|2,0,0]=3 145 B8R1.5 NC1CCCCC1=O P45934 [0,0,0,1,0,0|2,0,0]=3 146 B8R1.5 NN1CCCCC1=O B-1138 [0,0,0,1,0,0|3,0,0]=4 147 B8R1.5 N[C@@H]1CCCNC1=O O34375 [0,0,0,1,0,0|2,0,0]=3 148 B8R1.5 N[C@H]1CCCNC1=O O34462 [0,0,0,1,0,0|2,0,0]=3 149 B8R1.5 O=C1CCCCC1Br L21639 [0,0,0,1,0,0|2,0,0]=3 150 B8R1.5 O=C1CCCCC1F P45307 [0,0,0,1,0,0|2,0,0]=3 151 B8R1.5 O=C1CCCNC1=O S72799 [0,0,0,1,0,0|2,0,1]=4 152 B8R1.5 O=C1CCNCC1Br Q52493 [0,0,0,1,0,0|3,0,0]=4 153 B8R1.5 O=C1CCNCC1F G-7340 [0,0,0,1,0,0|3,0,0]=4 154 B8R1.5 O=C1CCNCC1F Q56501 [0,0,0,1,0,0|3,0,0]=4 155 B8R1.5 O=C1CCOCC1Br C-3416 [0,0,0,1,0,0|3,0,0]=4 156 B8R1.5 O=C1CCOCC1F G-7272 [0,0,0,1,0,0|3,0,0]=4 157 B8R1.5 O=C1CCOC[C@H]1F Q52309 [0,0,0,1,0,0|3,0,0]=4 158 B8R1.5 O=C1COCCC1Br Q54651 [0,0,0,1,0,0|3,0,0]=4 159 B8R1.5 O=C1NCCCC1Br L18696 [0,0,0,1,0,0|2,0,0]=3 160 B8R1.5 O=C1NCCC[C@@H]1O P36280 [0,0,0,1,0,0|2,0,0]=3 161 B8R1.5 O=C1NCCC[C@H]1O P39619 [0,0,0,1,0,0|2,0,0]=3 162 B8R1.5 O=C1OCCCC1Br L20669 [0,0,0,1,0,0|1,0,0]=2 163 B8R1.10 BrCCOC1CCC1 P49161 [0,0,0,1,0,0|2,0,1]=4 164 B8R1.10 CCCOC1CNC1 O30745 [0,0,0,1,0,0|2,0,1]=4 165 B8R1.10 CCCOC1CNC1 P44923 [0,0,0,1,0,0|2,0,1]=4 166 B8R1.10 NCCOC1CCC1 L20867 [0,0,0,1,0,0|2,0,1]=4 167 B8R1.10 NCCOC1CCC1 P48638 [0,0,0,1,0,0|2,0,1]=4 168 B8R1.10 OCCOC1CCC1 P45345 [0,0,0,1,0,0|2,0,1]=4 169 B8R1.22 BrC1CCCCCC1 P39447 [0,0,0,1,0,0|2,0,1]=4 170 B8R1.22 O=C1CCCNCC1 A-576 [0,0,0,1,0,0|2,0,0]=3 171 B8R1.22 O=C1CCNCCN1 Q52595 [0,0,0,1,0,0|2,0,0]=3 172 B8R1.22 O=C1CNCCCN1 O34379 [0,0,0,1,0,0|2,0,0]=3 173 B8R1.22 O=C1CNCCNC1 P46870 [0,0,0,1,0,0|3,0,0]=4 174 B8R1.38 C=CC(=O)N1CCC1 P44698 [0,0,0,1,0,0|1,0,2]=4 175 B8R1.38 CCC(=O)C1CCC1 P45339 [0,0,0,1,0,0|1,0,0]=2 176 B8R1.38 CCC(=O)C1COC1 Q56142 [0,0,0,1,0,0|2,0,0]=3 177 B8R1.38 CCC(O)C1CCC1 P48473 [0,0,0,1,0,0|1,0,2]=4 178 B8R1.38 CNC(=O)C1CCC1 P49094 [0,0,0,1,0,0|2,0,0]=3 179 B8R1.38 CNC(=O)C1CNC1 P45048 [0,0,0,1,0,0|3,0,0]=4 180 B8R1.38 CNC(=O)C1CNC1 P45049 [0,0,0,1,0,0|3,0,0]=4 181 B8R1.38 COC(=O)C1CCC1 P45206 [0,0,0,1,0,0|2,0,0]=3 182 B8R1.38 COC(=O)C1CCN1 F-4237 [0,0,0,1,0,0|3,0,0]=4 183 B8R1.38 COC(=O)C1CNC1 A-420 [0,0,0,1,0,0|3,0,0]=4 184 B8R1.38 COC(=O)C1CNC1 F-4426 [0,0,0,1,0,0|3,0,0]=4 185 B8R1.38 COC(=O)C1COC1 L13768 [0,0,0,1,0,0|3,0,0]=4 186 B8R1.38 COC(=O)[C@@H]1CCN1 G-7134 [0,0,0,1,0,0|3,0,0]=4 187 B8R1.38 COC(=O)[C@H]1CCN1 G-7965 [0,0,0,1,0,0|3,0,0]=4 188 B8R1.38 NCC(=O)C1CCC1 L19863 [0,0,0,1,0,0|2,0,0]=3 189 B8R1.38 NCC(=O)N1CCC1 P42497 [0,0,0,1,0,0|2,0,0]=3 190 B8R1.38 NNC(=O)C1CCC1 P44614 [0,0,0,1,0,0|3,0,0]=4 191 B8R1.38 O=C(CBr)C1CCC1 P44370 [0,0,0,1,0,0|2,0,0]=3 192 B8R1.38 O=C(CBr)N1CCC1 P44519 [0,0,0,1,0,0|2,0,0]=3 193 B8R1.38 O=C(CCl)C1CCC1 P45495 [0,0,0,1,0,0|2,0,0]=3 194 B8R1.38 O=C(CCl)N1CCC1 P34713 [0,0,0,1,0,0|2,0,0]=3 195 B8R1.38 O=C(CO)C1CCC1 P45459 [0,0,0,1,0,0|2,0,0]=3 196 B8R1.38 O=C(NO)C1CCC1 P45195 [0,0,0,1,0,0|3,0,0]=4 197 B8R1.40 COC(=O)C=C1CC1 H-8420 [0,0,0,1,0,0|2,0,1]=4 198 B8R1.40 COC(=O)CC1CC1 G-7131 [0,0,0,1,0,0|2,0,0]=3 199 B8R1.40 NCC(=O)NC1CC1 P36714 [0,0,0,1,0,0|2,0,0]=3 200 B8R1.50 CC1=C(O)COC1=O O32297 [0,0,0,1,0,0|1,0,2]=4 201 B8R1.50 CC1C(=O)CCN1C Q52697 [0,0,0,1,0,0|2,0,0]=3 202 B8R1.50 N[C@@H]1C(=O)NC[C@H]1O Q53540 [0,0,0,1,0,0|3,0,0]=4 203 B8R1.50 N[C@@H]1C(=O)NC[C@H]1O Q53541 [0,0,0,1,0,0|3,0,0]=4 204 B8R1.52 CC1(CN)CCCO1 G-6526 [0,0,0,1,0,0|2,0,1]=4 205 B8R1.52 CC1(CN)CCCO1 O33458 [0,0,0,1,0,0|2,0,1]=4 206 B8R1.58 CCC1(C)OCC1N Q55852 [0,0,0,1,0,0|2,0,1]=4 207 B5R0.1 CCC[C@H](C)N I-9318 [2,0,0,0,0,0|1,0,1]=4 208 B5R0.1 O=C(O)CCF A-698 [2,0,0,0,0,0|2,0,0]=4 209 B5R0.2 C#CCOCC O29883 [2,0,0,0,0,0|0,0,2]=4 210 B5R0.2 CCNCCCl L21040 [2,0,0,0,0,0|2,0,0]=4 211 B5R0.3 CNC(=O)CBr P38653 [2,0,0,0,0,0|2,0,0]=4 212 B5R0.3 CNC(=O)CN P37877 [2,0,0,0,0,0|2,0,0]=4 213 B5R0.3 CNC(=O)CO P37539 [2,0,0,0,0,0|2,0,0]=4 214 B5R0.3 COC(=N)CCl P36514 [2,0,0,0,0,0|2,0,0]=4 215 B7R0.2 C#CC(=O)OC(C)C S86242 [1,1,0,0,0,0|0,0,2]=4 216 B7R0.2 C=CC(=O)CC(C)C L19279 [1,1,0,0,0,0|0,0,2]=4 217 B7R0.2 CC(C)NC(=O)CBr P36229 [1,1,0,0,0,0|2,0,0]=4 218 B7R0.2 CC(C)NC(=O)CN P36647 [1,1,0,0,0,0|2,0,0]=4 219 B7R0.2 CC(C)NC(=O)CN P37073 [1,1,0,0,0,0|2,0,0]=4 220 B7R0.2 CCC(=O)CC(=O)O P43007 [1,1,0,0,0,0|1,0,1]=4 221 B7R0.2 CCC(=O)CC(C)=O O31794 [1,1,0,0,0,0|0,0,1]=3 222 B7R0.2 COC(=O)CC(C)N P41489 [1,1,0,0,0,0|1,0,0]=3 223 B7R0.2 COC(=O)CN(C)C P36457 [1,1,0,0,0,0|2,0,0]=4 224 B7R0.2 COC(=O)C[C@@H](C)N Q68958 [1,1,0,0,0,0|1,0,0]=3 225 B7R0.5 CCCC(C)C(C)N L19280 [1,1,0,0,0,0|1,0,1]=4 226 B7R0.5 CCOC(=O)C(=O)O P37044 [1,1,0,0,0,0|1,0,1]=4 227 B7R0.5 CN(C)C(=O)CCCl P40567 [1,1,0,0,0,0|2,0,0]=4 228 B7R0.5 CN(C)C(=O)CCN O33598 [1,1,0,0,0,0|2,0,0]=4 229 B7R0.5 CNCC(=O)N(C)C P40286 [1,1,0,0,0,0|2,0,0]=4 230 B7R0.7 CCCN(C)CCO Q66069 [1,1,0,0,0,0|2,0,0]=4 231 B7R0.7 CCNC(=O)CC#N P41076 [1,1,0,0,0,0|1,0,1]=4 232 B7R0.7 CCNC(=O)CCN P36830 [1,1,0,0,0,0|1,0,0]=3 233 B7R0.7 CCNC(=O)CNC P35209 [1,1,0,0,0,0|1,0,0]=3 234 B7R0.7 CCNC(=O)CNC P39556 [1,1,0,0,0,0|1,0,0]=3 235 B7R0.7 CCOC(=O)CCI P36879 [1,1,0,0,0,0|0,0,0]=2 236 B7R0.7 CCOC(=O)NCO Q69358 [1,1,0,0,0,0|1,0,0]=3 237 B7R0.7 CCOC(=O)\C=C\[O-] I-9388 [1,1,0,0,0,0|0,0,2]=4 238 B7R0.10 CCC(=O)N(C)OC P42839 [1,1,0,0,0,0|2,0,0]=4 239 B7R0.10 CCN(C)C(=O)CN P36486 [1,1,0,0,0,0|2,0,0]=4 240 B7R0.10 CN[C@@H](C)C(=O)OC P40007 [1,1,0,0,0,0|2,0,0]=4 241 B7R0.10 COC(=O)C(C)CN P35475 [1,1,0,0,0,0|2,0,0]=4 242 B7R0.10 COC(=O)[C@@H](N)CN P41137 [1,1,0,0,0,0|2,0,0]=4 243 B7R0.4 CC(=O)NCCCN P38199 [1,1,0,0,0,0|1,0,0]=3 244 B7R0.4 CNCCNC(C)=O P41559 [1,1,0,0,0,0|1,0,0]=3 245 B7R0.4 COCCCC(=O)O P39031 [1,1,0,0,0,0|2,0,0]=4 246 B7R0.4 NCCOCC(=O)O P35961 [1,1,0,0,0,0|2,0,0]=4 247 B7R0.6 CC(=O)OCC(C)O P36972 [1,1,0,0,0,0|0,0,0]=2 248 B7R0.1 CCCCOCCN P36925 [1,1,0,0,0,0|1,0,1]=4 249 B7R0.1 COCCOCCN P38878 [1,1,0,0,0,0|1,0,1]=4 250 B7R0.1 NCCCOCCO P34738 [1,1,0,0,0,0|1,0,1]=4 251 B9R0.5 CCCCNC(=O)CC#N P38337 [0,2,0,0,0,0|1,0,1]=4 252 B9R0.5 COCCNC(=O)CC#N P41073 [0,2,0,0,0,0|1,0,1]=4 253 B9R0.8 CCCCC(N)C(=O)OC M23165 [0,2,0,0,0,0|2,0,0]=4 254 B9R0.18 O=C(NCCCl)NCCCl P43328 [0,2,0,0,0,0|2,0,0]=4 255 B9R0.34 CCOC(=O)C[C@@H](O)CCl P35219 [0,2,0,0,0,0|2,0,0]=4 256 B9R0.34 CCOC(=O)C[C@H](O)CCl P35666 [0,2,0,0,0,0|2,0,0]=4 257 B9R0.34 COCC(C)NC(=O)CCl L18642 [0,2,0,0,0,0|2,0,0]=4 258 B9R0.23 COC(=O)[C@H](N)CC(C)C P37232 [0,2,0,0,0,0|2,0,0]=4 259 B9R0.23 COC(=O)[C@H](O)CC(C)C P42599 [0,2,0,0,0,0|2,0,0]=4 260 B9R0.46 CCOCCOC(=O)CCl O30319 [0,2,0,0,0,0|1,0,0]=3 261 B9R0.3 CC(C)(C)C(=O)SCCO P41006 [0,2,0,0,0,0|1,1,0]=4 262 B9R0.42 COC(=O)C[C@H](N)C(C)C Q68995 [0,2,0,0,0,0|2,0,0]=4 263 B7R1.1 BrCC1=CCCC1 G-5335 [1,0,0,1,0,0|2,0,0]=4 264 B7R1.2 CC1CCC(N)C1 Q56970 [1,0,0,1,0,0|1,0,1]=4 265 B7R1.2 CC1CNC(=O)C1 L13710 [1,0,0,1,0,0|1,0,0]=3 266 B7R1.2 CC1CNC(=O)O1 P51279 [1,0,0,1,0,0|1,0,0]=3 267 B7R1.2 C[C@@H]1CNC(=O)C1 L22301 [1,0,0,1,0,0|1,0,0]=3 268 B7R1.2 C[C@@H]1CNC(=O)O1 P42625 [1,0,0,1,0,0|1,0,0]=3 269 B7R1.2 C[C@H]1CNC(=O)C1 L18264 [1,0,0,1,0,0|1,0,0]=3 270 B7R1.2 NC1CNC(=O)C1 G-6478 [1,0,0,1,0,0|2,0,0]=4 271 B7R1.2 NC1CNC(=O)C1 L13560 [1,0,0,1,0,0|2,0,0]=4 272 B7R1.2 N[C@@H]1CNC(=O)C1 L13184 [1,0,0,1,0,0|2,0,0]=4 273 B7R1.2 N[C@@H]1CNC(=O)C1 P44245 [1,0,0,1,0,0|2,0,0]=4 274 B7R1.2 N[C@H]1CNC(=O)C1 L13183 [1,0,0,1,0,0|2,0,0]=4 275 B7R1.2 O=C1CC(O)CN1 P39299 [1,0,0,1,0,0|2,0,0]=4 276 B7R1.2 O=C1CCC(=O)C1 I-9301 [1,0,0,1,0,0|1,0,1]=4 277 B7R1.2 O=C1CCC(Br)C1 Q56972 [1,0,0,1,0,0|1,0,0]=3 278 B7R1.2 O=C1CCC(F)C1 Q55724 [1,0,0,1,0,0|1,0,0]=3 279 B7R1.2 O=C1CCC(O)C1 H-8145 [1,0,0,1,0,0|1,0,0]=3 280 B7R1.2 O=C1C[C@@H](O)CN1 M22799 [1,0,0,1,0,0|2,0,0]=4 281 B7R1.2 O=C1C[C@@H](S)CN1 I-9138 [1,0,0,1,0,0|2,0,0]=4 282 B7R1.3 BrC1=CCCCC1 N24288 [1,0,0,1,0,0|1,0,1]=4 283 B7R1.3 C=C1CCCNC1 Q59836 [1,0,0,1,0,0|2,0,0]=4 284 B7R1.3 C=C1CCCOC1 Q54979 [1,0,0,1,0,0|2,0,0]=4 285 B7R1.3 C=C1CCNCC1 H-8338 [1,0,0,1,0,0|2,0,0]=4 286 B7R1.3 C=C1CCNCC1 Q55164 [1,0,0,1,0,0|2,0,0]=4 287 B7R1.3 C=C1CCOCC1 L13714 [1,0,0,1,0,0|2,0,0]=4 288 B7R1.3 N=C1NCCCO1 L19177 [1,0,0,1,0,0|2,0,0]=4 289 B7R1.3 O=C1CC=CCC1 Q53604 [1,0,0,1,0,0|0,0,2]=4 290 B7R1.3 O=C1CCCNC1 A-184 [1,0,0,1,0,0|1,0,0]=3 291 B7R1.3 O=C1CCCOC1 G-6070 [1,0,0,1,0,0|1,0,0]=3 292 B7R1.3 O=C1CCCSC1 G-5937 [1,0,0,1,0,0|1,0,0]=3 293 B7R1.3 O=C1CCOCC1 B-1770 [1,0,0,1,0,0|1,0,0]=3 294 B7R1.3 O=C1CCSCC1 C-2949 [1,0,0,1,0,0|1,0,0]=3 295 B7R1.3 O=C1CNCCO1 O28295 [1,0,0,1,0,0|1,0,0]=3 296 B7R1.3 O=C1COCCN1 B-1038 [1,0,0,1,0,0|2,0,0]=4 297 B7R1.3 O=C1OCCCO1 P43743 [1,0,0,1,0,0|1,0,0]=3 298 B7R1.4 CC1CCNC1=O O30375 [1,0,0,1,0,0|1,0,0]=3 299 B7R1.4 CN1CCCC1=N Q59266 [1,0,0,1,0,0|2,0,0]=4 300 B7R1.4 C[C@@H]1CCC[C@@H]1N Q53279 [1,0,0,1,0,0|1,0,1]=4 301 B7R1.4 C[C@@H]1CCC[C@@H]1N Q53280 [1,0,0,1,0,0|1,0,1]=4 302 B7R1.4 C[C@@H]1CCNC1=O Q61716 [1,0,0,1,0,0|1,0,0]=3 303 B7R1.4 C[C@H]1CCC[C@@H]1N Q53277 [1,0,0,1,0,0|1,0,1]=4 304 B7R1.4 C[C@H]1CCC[C@@H]1N Q53278 [1,0,0,1,0,0|1,0,1]=4 305 B7R1.4 C[C@H]1CCNC1=O Q61658 [1,0,0,1,0,0|1,0,0]=3 306 B7R1.4 NC1CCNC1=O F-4440 [1,0,0,1,0,0|2,0,0]=4 307 B7R1.4 NN1CCCC1=O P51102 [1,0,0,1,0,0|2,0,0]=4 308 B7R1.4 N[C@@H]1CCNC1=O F-4458 [1,0,0,1,0,0|2,0,0]=4 309 B7R1.4 N[C@H]1CCNC1=O F-4459 [1,0,0,1,0,0|2,0,0]=4 310 B7R1.4 N[C@H]1CCNC1=O L14236 [1,0,0,1,0,0|2,0,0]=4 311 B7R1.4 O=C1CCCC1=O L19145 [1,0,0,1,0,0|1,0,1]=4 312 B7R1.4 O=C1CCCC1O Q61720 [1,0,0,1,0,0|1,0,0]=3 313 B7R1.4 O=C1NCCC1Br O31241 [1,0,0,1,0,0|2,0,0]=4 314 B7R1.4 O=C1NCCC1F Q62170 [1,0,0,1,0,0|2,0,0]=4 315 B7R1.4 O=C1NCCC1O D-2532 [1,0,0,1,0,0|2,0,0]=4 316 B7R1.4 O=C1NCC[C@@H]1F Q63592 [1,0,0,1,0,0|2,0,0]=4 317 B7R1.4 O=C1NCC[C@@H]1O F-4184 [1,0,0,1,0,0|2,0,0]=4 318 B7R1.4 O=C1NCC[C@H]1F Q63593 [1,0,0,1,0,0|2,0,0]=4 319 B7R1.4 O=C1NCC[C@H]1O O30124 [1,0,0,1,0,0|2,0,0]=4 320 B7R1.8 COC1CCC1=O P45632 [1,0,0,1,0,0|1,0,0]=3 321 B7R1.8 NCC1CNC1=O P46897 [1,0,0,1,0,0|2,0,0]=4 322 B7R1.8 O=C1CCC1CO L18510 [1,0,0,1,0,0|1,0,0]=3 323 B7R1.15 C[C@@H]1NC(=O)[C@H]1N 10677 [1,0,0,1,0,0|2,0,0]=4 324 B7R1.15 C[C@@H]1NC(=O)[C@H]1N 10678 [1,0,0,1,0,0|2,0,0]=4 325 B7R1.22 CCC(=O)C1CC1 I-9941 [1,0,0,1,0,0|0,0,0]=2 326 B7R1.22 CCC(N)C1CC1 L14734 [1,0,0,1,0,0|1,0,1]=4 327 B7R1.22 CCC(O)C1CC1 L14172 [1,0,0,1,0,0|0,0,2]=4 328 B7R1.22 NNC(=O)C1CC1 G-5359 [1,0,0,1,0,0|2,0,0]=4 329 B7R1.25 CCC1(N)CCC1 P45271 [1,0,0,1,0,0|1,0,1]=4 330 B7R1.25 CCC1(N)CCC1 P45837 [1,0,0,1,0,0|1,0,1]=4 331 B7R1.12 CC1CC1C(=O)Cl O31612 [1,0,0,1,0,0|2,0,0]=4 332 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O P44059 [1,0,0,1,0,0|2,0,0]=4 333 B7R1.12 C[C@@H]1C[C@H]1C(=O)O L22375 [1,0,0,1,0,0|2,0,0]=4 334 B7R1.12 C[C@H]1C[C@H]1C(=O)O O33127 [1,0,0,1,0,0|2,0,0]=4 335 B7R1.18 CC(=O)C1CCC1 Q54751 [1,0,0,1,0,0|1,0,0]=3 336 B7R1.18 CC(=O)C1CNC1 P44065 [1,0,0,1,0,0|2,0,0]=4 337 B7R1.18 CC(=O)C1CNC1 P48871 [1,0,0,1,0,0|2,0,0]=4 338 B7R1.18 CC(=O)C1CNC1 P48872 [1,0,0,1,0,0|2,0,0]=4 339 B7R1.18 CC(=O)C1COC1 Q56096 [1,0,0,1,0,0|2,0,0]=4 340 B7R1.18 CC(=O)N1CCC1 P45596 [1,0,0,1,0,0|1,0,0]=3 341 B7R1.18 NC(=O)C1CCC1 O34470 [1,0,0,1,0,0|2,0,0]=4 342 B7R1.18 NC(=O)N1CCC1 P45464 [1,0,0,1,0,0|2,0,0]=4 343 B7R1.20 O=C(Cl)CC1CC1 Q54347 [1,0,0,1,0,0|2,0,0]=4 344 B7R1.20 O=C(O)CC1CC1 F-4292 [1,0,0,1,0,0|2,0,0]=4 345 B7R1.24 C1CNCCOC1 O28784 [1,0,0,1,0,0|1,0,1]=4 346 B9R1.2 CCC1CC(=O)CCO1 10650 [0,1,0,1,0,0|1,0,0]=3 347 B9R1.2 CCC1CC(N)CCO1 Q57607 [0,1,0,1,0,0|1,0,1]=4 348 B9R1.2 CCC1CC(O)CCO1 Q57706 [0,1,0,1,0,0|1,0,1]=4 349 B9R1.2 CCN1CCNC(=O)C1 L21411 [0,1,0,1,0,0|2,0,0]=4 350 B9R1.2 COC1CCCC(=O)C1 P44206 [0,1,0,1,0,0|2,0,0]=4 351 B9R1.2 NCC1CCCC(=O)N1 Q65073 [0,1,0,1,0,0|2,0,0]=4 352 B9R1.2 NCC1CCNC(=O)C1 C-3610 [0,1,0,1,0,0|2,0,0]=4 353 B9R1.2 NCC1CCNC(=O)C1 Q51820 [0,1,0,1,0,0|2,0,0]=4 354 B9R1.2 O=C1CC(CO)CCN1 C-3400 [0,1,0,1,0,0|2,0,0]=4 355 B9R1.2 O=C1CCCC(CCl)N1 Q59897 [0,1,0,1,0,0|2,0,0]=4 356 B9R1.2 O=C1CCCC(CO)N1 10055 [0,1,0,1,0,0|2,0,0]=4 357 B9R1.2 O=C1CCC[C@H](CO)N1 Q65248 [0,1,0,1,0,0|2,0,0]=4 358 B9R1.2 O=C1CCOC(CO)C1 Q54642 [0,1,0,1,0,0|2,0,0]=4 359 B9R1.8 NCCC1CCCCO1 P38225 [0,1,0,1,0,0|1,0,1]=4 360 B9R1.8 OCCC1CCCCO1 P38380 [0,1,0,1,0,0|1,0,1]=4 361 B9R1.8 OCC[C@@H]1CCCCO1 Q53045 [0,1,0,1,0,0|1,0,1]=4 362 B9R1.12 CCCOC1CCNC1 P34911 [0,1,0,1,0,0|1,0,1]=4 363 B9R1.12 CCCO[C@@H]1CCNC1 P35814 [0,1,0,1,0,0|1,0,1]=4 364 B9R1.12 CCCO[C@H]1CCNC1 P35519 [0,1,0,1,0,0|1,0,1]=4 365 B9R1.15 CCN1CCNCC1=O A-474 [0,1,0,1,0,0|2,0,0]=4 366 B9R1.15 CNC1CCCCC1=O O32079 [0,1,0,1,0,0|1,0,0]=3 367 B9R1.15 COC1CCCCC1=O P44670 [0,1,0,1,0,0|1,0,0]=3 368 B9R1.15 COC1COCCC1=O C-3417 [0,1,0,1,0,0|2,0,0]=4 369 B9R1.15 COC1OCCCC1=O L19674 [0,1,0,1,0,0|1,0,1]=4 370 B9R1.15 CO[C@@H]1COCCC1=O Q55743 [0,1,0,1,0,0|2,0,0]=4 371 B9R1.15 CO[C@H]1COCCC1=O Q55744 [0,1,0,1,0,0|2,0,0]=4 372 B9R1.15 N#CC1CCCCC1=O P44647 [0,1,0,1,0,0|1,0,1]=4 373 B9R1.15 O=C1COCCC1CO Q64449 [0,1,0,1,0,0|2,0,0]=4 374 B9R1.15 O=CC1CCCCC1=O P49435 [0,1,0,1,0,0|1,0,1]=4 375 B9R1.22 O=C1C[C@H](O)[C@@H](CO)O1 L22312 [0,1,0,1,0,0|1,0,0]=3 376 B9R1.33 COCC1CCCC1=O O31995 [0,1,0,1,0,0|2,0,0]=4 377 B9R1.33 NCCN1CCCC1=O P39375 [0,1,0,1,0,0|2,0,0]=4 378 B9R1.33 NCCN1CCOC1=O M22885 [0,1,0,1,0,0|2,0,0]=4 379 B9R1.33 O=C1CCCN1CCBr M23139 [0,1,0,1,0,0|2,0,0]=4 380 B9R1.33 O=C1OCCC1CCBr Q69615 [0,1,0,1,0,0|2,0,0]=4 381 B9R1.48 CC1CC(=O)NCCN1 G-6003 [0,1,0,1,0,0|2,0,0]=4 382 B9R1.48 NC1CCCNC(=O)C1 S72677 [0,1,0,1,0,0|1,0,0]=3 383 B9R1.48 O=C1CCCNC(=O)C1 M15285 [0,1,0,1,0,0|1,0,1]=4 384 B9R1.49 CN1CCNC(=O)CC1 O34314 [0,1,0,1,0,0|1,0,0]=3 385 B9R1.69 CC1CC(=O)CCC1O P44912 [0,1,0,1,0,0|2,0,0]=4 386 B9R1.69 CC1CCC(=O)C(C)C1 Q59598 [0,1,0,1,0,0|1,0,0]=3 387 B9R1.69 CC1CCC(=O)OC1=O Q61441 [0,1,0,1,0,0|0,0,1]=3 388 B9R1.69 CC1CN(C)CCC1=O Q65019 [0,1,0,1,0,0|2,0,0]=4 389 B9R1.69 CN1CC(N)CCC1=O C-3402 [0,1,0,1,0,0|2,0,0]=4 390 B9R1.69 CN1CCC(N)CC1=O C-2257 [0,1,0,1,0,0|2,0,0]=4 391 B9R1.69 CN1C[C@@H](N)CCC1=O Q64391 [0,1,0,1,0,0|2,0,0]=4 392 B9R1.69 CN1C[C@H](N)CCC1=O Q64392 [0,1,0,1,0,0|2,0,0]=4 393 B9R1.69 C[C@@H]1CC(=O)CC[C@H]1O P49131 [0,1,0,1,0,0|2,0,0]=4 394 B9R1.69 C[C@@H]1CCC(=O)CN1C Q56726 [0,1,0,1,0,0|1,0,0]=3 395 B9R1.69 C[C@@H]1CN(C)C(=O)CN1 A-475 [0,1,0,1,0,0|2,0,0]=4 396 B9R1.69 C[C@@H]1CN(C)C(=O)CN1 P43921 [0,1,0,1,0,0|2,0,0]=4 397 B9R1.69 C[C@@H]1CN(C)CCC1=O Q65018 [0,1,0,1,0,0|2,0,0]=4 398 B9R1.69 C[C@@H]1CNC(=O)[C@@H](C)N1 P49014 [0,1,0,1,0,0|1,0,0]=3 399 B9R1.69 C[C@H]1CCC(=O)CN1C Q56727 [0,1,0,1,0,0|1,0,0]=3 400 B9R1.69 C[C@H]1CN(C)C(=O)CN1 A-476 [0,1,0,1,0,0|2,0,0]=4 401 B9R1.69 C[C@H]1CN(C)C(=O)CN1 L13867 [0,1,0,1,0,0|2,0,0]=4 402 B9R1.69 C[C@H]1CN(C)CCC1=O Q65017 [0,1,0,1,0,0|2,0,0]=4 403 B9R1.69 C[C@H]1CNC(=O)[C@H](C)N1 P49725 [0,1,0,1,0,0|1,0,0]=3 404 B9R1.73 CCCC(=O)C1CCC1 P45625 [0,1,0,1,0,0|1,0,0]=3 405 B9R1.73 CCNC(=O)C1CNC1 P48513 [0,1,0,1,0,0|2,0,0]=4 406 B9R1.73 CCNC(=O)C1CNC1 P48516 [0,1,0,1,0,0|2,0,0]=4 407 B9R1.73 CCOC(=O)C1CCN1 P40788 [0,1,0,1,0,0|2,0,0]=4 408 B9R1.73 CCOC(=O)C1CNC1 C-2881 [0,1,0,1,0,0|2,0,0]=4 409 B9R1.73 CCOC(=O)[C@@H]1CCN1 P34796 [0,1,0,1,0,0|2,0,0]=4 410 B9R1.73 N#CCC(=O)C1CCC1 C-3303 [0,1,0,1,0,0|1,0,1]=4 411 B9R1.73 O=C(CCCl)N1CCC1 P42685 [0,1,0,1,0,0|1,0,0]=3 412 B9R1.75 CCOC(=O)CC1CC1 L14011 [0,1,0,1,0,0|1,0,0]=3 413 B9R1.75 N#CCC(=O)NC1CC1 P41075 [0,1,0,1,0,0|1,0,1]=4 414 B9R1.75 O=C(CCCl)NC1CC1 P37314 [0,1,0,1,0,0|1,0,0]=3 415 B9R1.100 NCCNC(=O)C1CC1 O28367 [0,1,0,1,0,0|2,0,0]=4 416 B9R1.3 CC1CCCC(=O)C1C Q59611 [0,1,0,1,0,0|1,0,0]=3 417 B9R1.3 CN1CCCC(Br)C1=O Q59933 [0,1,0,1,0,0|2,0,0]=4 418 B9R1.3 CN1CCCC(N)C1=O G-7295 [0,1,0,1,0,0|2,0,0]=4 419 B9R1.3 CN1CCCC(N)C1=O Q56451 [0,1,0,1,0,0|2,0,0]=4 420 B9R1.3 CN1CCC[C@@H](N)C1=O Q63634 [0,1,0,1,0,0|2,0,0]=4 421 B9R1.3 CN1CCC[C@H](N)C1=O P51619 [0,1,0,1,0,0|2,0,0]=4 422 B9R1.3 CN1CCC[C@H](N)C1=O Q63633 [0,1,0,1,0,0|2,0,0]=4 423 B9R1.3 C[C@@H]1CNCC(=O)N1C K13421 [0,1,0,1,0,0|2,0,0]=4 424 B9R1.3 O=C1CCCC(Br)C1=O P45897 [0,1,0,1,0,0|2,0,0]=4 425 B9R1.5 CN1CCCNCC1=O G-7681 [0,1,0,1,0,0|2,0,0]=4 426 B9R1.5 CN1CCCNCC1=O O34334 [0,1,0,1,0,0|2,0,0]=4 427 B9R1.5 N[C@@H]1CCCCNC1=O O34511 [0,1,0,1,0,0|1,0,0]=3 428 B9R1.5 N[C@H]1CCCCNC1=O F-4004 [0,1,0,1,0,0|1,0,0]=3 429 B9R1.5 N[C@H]1CCCCNC1=O O34512 [0,1,0,1,0,0|1,0,0]=3 430 B9R1.11 CNC(=O)C1CCCN1 O28788 [0,1,0,1,0,0|2,0,0]=4 431 B9R1.11 CNC(=O)C1CCNC1 O28288 [0,1,0,1,0,0|2,0,0]=4 432 B9R1.11 CNC(=O)[C@@H]1CCCN1 P38764 [0,1,0,1,0,0|2,0,0]=4 433 B9R1.11 CNC(=O)[C@H]1CCCN1 O28766 [0,1,0,1,0,0|2,0,0]=4 434 B9R1.11 COC(=O)C1CCNC1 G-5251 [0,1,0,1,0,0|2,0,0]=4 435 B9R1.11 COC(=O)C1CCOC1 G-5350 [0,1,0,1,0,0|2,0,0]=4 436 B9R1.11 COC(=O)[C@@H]1CCNC1 G-5253 [0,1,0,1,0,0|2,0,0]=4 437 B9R1.11 COC(=O)[C@@H]1CCNC1 L13624 [0,1,0,1,0,0|2,0,0]=4 438 B9R1.11 COC(=O)[C@@H]1CCOC1 I-9185 [0,1,0,1,0,0|2,0,0]=4 439 B9R1.11 COC(=O)[C@H]1CCNC1 G-5252 [0,1,0,1,0,0|2,0,0]=4 440 B9R1.11 COC(=O)[C@H]1CCNC1 G-6750 [0,1,0,1,0,0|2,0,0]=4 441 B9R1.11 COC(=O)[C@H]1CCOC1 L18447 [0,1,0,1,0,0|2,0,0]=4 442 B9R1.11 NCC(=O)C1CCCC1 L19802 [0,1,0,1,0,0|2,0,0]=4 443 B9R1.11 NCC(=O)N1CCCC1 10067 [0,1,0,1,0,0|2,0,0]=4 444 B9R1.11 NCC(=O)N1CCCC1 P38567 [0,1,0,1,0,0|2,0,0]=4 445 B9R1.37 C[C@@H]1C(=O)OC(=O)N1C Q61780 [0,1,0,1,0,0|1,0,1]=4 446 B9R1.37 C[C@H]1C(=O)OC(=O)N1C L21620 [0,1,0,1,0,0|1,0,1]=4 447 B9R1.82 CCC(=O)N1CC(N)C1 O29913 [0,1,0,1,0,0|1,0,0]=3 448 B9R1.82 CNC(=O)C1CC(O)C1 P49829 [0,1,0,1,0,0|2,0,0]=4 449 B9R1.82 COC(=O)C1CC(Br)C1 H-8052 [0,1,0,1,0,0|2,0,0]=4 450 B9R1.82 COC(=O)C1CC(Cl)C1 G-6592 [0,1,0,1,0,0|2,0,0]=4 451 B9R1.82 COC(=O)C1CC(F)C1 P47896 [0,1,0,1,0,0|2,0,0]=4 452 B9R1.82 COC(=O)C1CC(N)C1 P49386 [0,1,0,1,0,0|2,0,0]=4 453 B9R1.82 COC(=O)C1CC(N)C1 Q52519 [0,1,0,1,0,0|2,0,0]=4 454 B9R1.82 COC(=O)C1CC(O)C1 A-434 [0,1,0,1,0,0|2,0,0]=4 455 B9R1.82 COC(=O)C1CC(O)C1 F-4098 [0,1,0,1,0,0|2,0,0]=4 456 B9R1.82 COC(=O)C1CC(O)C1 F-4099 [0,1,0,1,0,0|2,0,0]=4 457 B9R1.82 COC(=O)N1CC(N)C1 P45916 [0,1,0,1,0,0|2,0,0]=4 458 B9R1.82 COC(=O)N1CC(N)C1 P47078 [0,1,0,1,0,0|2,0,0]=4 459 B9R1.82 COC(=O)N1CC(O)C1 L21408 [0,1,0,1,0,0|2,0,0]=4 460 B9R1.82 COC(=O)[C@H]1C[C@@H](Br)C1 P47452 [0,1,0,1,0,0|2,0,0]=4 461 B9R1.82 COC(=O)[C@H]1C[C@@H](F)C1 P50695 [0,1,0,1,0,0|2,0,0]=4 462 B9R1.82 COC(=O)[C@H]1C[C@@H](N)C1 G-5199 [0,1,0,1,0,0|2,0,0]=4 463 B9R1.82 COC(=O)[C@H]1C[C@H](Br)C1 G-7774 [0,1,0,1,0,0|2,0,0]=4 464 B9R1.82 COC(=O)[C@H]1C[C@H](F)C1 P44032 [0,1,0,1,0,0|2,0,0]=4 465 B9R1.82 COC(=O)[C@H]1C[C@H](N)C1 G-5470 [0,1,0,1,0,0|2,0,0]=4 466 B9R1.82 COC(=O)[C@H]1C[C@H](N)C1 P44094 [0,1,0,1,0,0|2,0,0]=4 467 B9R1.82 O=C(CCl)N1CC(O)C1 P47737 [0,1,0,1,0,0|2,0,0]=4 468 B9R1.88 COC(=O)C1CC1CN I-9340 [0,1,0,1,0,0|2,0,0]=4 469 B9R1.88 COC(=O)[C@H]1C[C@@H]1CO Q54349 [0,1,0,1,0,0|2,0,0]=4 470 B9R1.101 COC(=O)C(N)C1CC1 P37580 [0,1,0,1,0,0|2,0,0]=4 471 B9R1.101 COC(=O)[C@@H](N)C1CC1 P41444 [0,1,0,1,0,0|2,0,0]=4 472 B9R1.101 COC(=O)[C@H](N)C1CC1 P41443 [0,1,0,1,0,0|2,0,0]=4 473 B9R1.132 CN1C(=O)CCC1CBr L20735 [0,1,0,1,0,0|2,0,0]=4 474 B9R1.132 CN1C(=O)CCC1CO M23749 [0,1,0,1,0,0|2,0,0]=4 475 B9R1.132 CN1C(=O)CC[C@@H]1CN Q64631 [0,1,0,1,0,0|2,0,0]=4 476 B9R1.132 CN1C(=O)CC[C@@H]1CO Q64630 [0,1,0,1,0,0|2,0,0]=4 477 B9R1.132 CN1C(=O)CC[C@H]1CO Q64629 [0,1,0,1,0,0|2,0,0]=4 478 B9R1.186 COC(=O)C1(Br)CCC1 P45536 [0,1,0,1,0,0|2,0,0]=4 479 B9R1.186 COC(=O)C1(N)CCC1 F-4742 [0,1,0,1,0,0|2,0,0]=4 480 B9R1.186 COC(=O)C1(N)CCC1 P46174 [0,1,0,1,0,0|2,0,0]=4 481 B9R1.186 COC(=O)C1(O)CCC1 P44931 [0,1,0,1,0,0|2,0,0]=4 482 B9R1.1 C#CC1CCC(=O)CC1 Q53472 [0,1,0,1,0,0|1,0,1]=4 483 B9R1.1 CNC1CCC(=O)CC1 P41929 [0,1,0,1,0,0|1,0,0]=3 484 B9R1.1 CNC1CCS(=O)CC1 Q57925 [0,1,0,1,0,0|2,0,0]=4 485 B9R1.1 CNC1CCS(=O)CC1 Q57926 [0,1,0,1,0,0|2,0,0]=4 486 B9R1.1 COC1CCC(=O)CC1 P34719 [0,1,0,1,0,0|1,0,0]=3 487 B9R1.1 N#CC1CCC(=O)CC1 O33986 [0,1,0,1,0,0|1,0,1]=4 488 B9R1.1 NCC1CCC(=O)NC1 F-4482 [0,1,0,1,0,0|1,0,0]=3 489 B9R1.1 O=C1CCC(CBr)CN1 L20956 [0,1,0,1,0,0|1,0,0]=3 490 B9R1.1 O=C1CCC(CO)CC1 O32541 [0,1,0,1,0,0|1,0,0]=3 491 B9R1.1 O=C1CCC(CO)CN1 H-8442 [0,1,0,1,0,0|1,0,0]=3 492 B9R1.1 O=C1CO[C@@H](CO)CN1 Q65251 [0,1,0,1,0,0|2,0,0]=4 493 B9R1.1 O=C1CO[C@H](CO)CN1 Q65252 [0,1,0,1,0,0|2,0,0]=4 494 B9R1.79 CCC(=O)NC1CNC1 P47079 [0,1,0,1,0,0|1,0,0]=3 495 B9R1.79 CNC(=O)NC1CNC1 P47041 [0,1,0,1,0,0|2,0,0]=4 496 B9R1.79 CNC(=O)NC1CNC1 P49948 [0,1,0,1,0,0|2,0,0]=4 497 B9R1.79 CNC(=O)OC1CNC1 P49999 [0,1,0,1,0,0|1,0,0]=3 498 B9R1.79 COC(=O)C=C1CCC1 P48215 [0,1,0,1,0,0|2,0,0]=4 499 B9R1.79 COC(=O)CC1CCC1 O28770 [0,1,0,1,0,0|2,0,0]=4 500 B9R1.79 COC(=O)CC1CNC1 C-3312 [0,1,0,1,0,0|2,0,0]=4 501 B9R1.79 COC(=O)CC1CNC1 C-3312-1 [0,1,0,1,0,0|2,0,0]=4 502 B9R1.79 COC(=O)CC1CNC1 P34702 [0,1,0,1,0,0|2,0,0]=4 503 B9R1.79 COC(=O)CC1COC1 G-5284 [0,1,0,1,0,0|2,0,0]=4 504 B9R1.79 COC(=O)NC1CNC1 P47019 [0,1,0,1,0,0|2,0,0]=4 505 B9R1.79 COC(=O)NC1CNC1 P48973 [0,1,0,1,0,0|2,0,0]=4 506 B9R1.79 O=C(CBr)CC1CCC1 P47346 [0,1,0,1,0,0|2,0,0]=4 507 B9R1.80 COC(=O)CNC1CC1 L20586 [0,1,0,1,0,0|2,0,0]=4 508 B9R1.80 COC(=O)CNC1CC1 P36966 [0,1,0,1,0,0|2,0,0]=4 509 B9R1.80 COC(=O)\C=C\C1CC1 O29404 [0,1,0,1,0,0|2,0,0]=4 510 B9R1.80 O=C(CCl)NCC1CC1 M23153 [0,1,0,1,0,0|2,0,0]=4 511 B9R1.81 COC(=O)C1CCC1N P48812 [0,1,0,1,0,0|2,0,0]=4 512 B9R1.81 COC(=O)C1CCN1C P45741 [0,1,0,1,0,0|2,0,0]=4 513 B9R1.81 COC(=O)C1CNC1C L14496 [0,1,0,1,0,0|2,0,0]=4 514 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N F-4529 [0,1,0,1,0,0|2,0,0]=4 515 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N G-6951 [0,1,0,1,0,0|2,0,0]=4 516 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N K12006 [0,1,0,1,0,0|2,0,0]=4 517 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N P48655 [0,1,0,1,0,0|2,0,0]=4 518 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N P50299 [0,1,0,1,0,0|2,0,0]=4 519 B9R1.81 COC(=O)[C@@H]1CC[C@H]1N P47008 [0,1,0,1,0,0|2,0,0]=4 520 B9R1.81 COC(=O)[C@@H]1CC[C@H]1N Q56097 [0,1,0,1,0,0|2,0,0]=4 521 B9R1.81 COC(=O)[C@@H]1CN[C@H]1C P50301 [0,1,0,1,0,0|2,0,0]=4 522 B9R1.81 COC(=O)[C@H]1CC[C@H]1N P48086 [0,1,0,1,0,0|2,0,0]=4 523 B9R1.81 COC(=O)[C@H]1CC[C@H]1N Q52809 [0,1,0,1,0,0|2,0,0]=4 524 B9R1.118 CCC1(N)CCCOC1 Q61496 [0,1,0,1,0,0|1,0,1]=4 525 B9R1.118 CCC1(O)CCCOC1 Q61497 [0,1,0,1,0,0|0,0,2]=4 526 B9R1.6 CC(N)C1CCCCO1 Q57678 [0,1,0,1,0,0|1,0,1]=4 527 B9R1.6 C[C@@H](N)C1CCCCO1 Q57872 [0,1,0,1,0,0|1,0,1]=4 528 B9R1.6 C[C@@H](N)C1CCCCO1 Q57873 [0,1,0,1,0,0|1,0,1]=4 529 B9R1.23 CC1C[C@@H](CO)NC1=O Q61857 [0,1,0,1,0,0|2,0,0]=4 530 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 G-7802 [0,1,0,1,0,0|1,0,1]=4 531 B9R1.40 CC1(C)CCCCC1=O P49436 [0,1,0,1,0,0|1,0,0]=3 532 B9R1.40 CC1(C)CNCCC1=O G-7989 [0,1,0,1,0,0|2,0,0]=4 533 B9R1.40 CC1(C)COCCC1=O L13076 [0,1,0,1,0,0|2,0,0]=4 534 B9R1.40 CC1(C)NCCNC1=O G-7651 [0,1,0,1,0,0|2,0,0]=4 535 B9R1.40 CC1(C)OCCCC1=O Q61432 [0,1,0,1,0,0|2,0,0]=4 536 B9R1.40 CC1(O)COCCC1=O Q54633 [0,1,0,1,0,0|2,0,0]=4 537 B9R1.40 O=C1CCCCC1(F)F P44010 [0,1,0,1,0,0|2,0,0]=4 538 B9R1.40 O=C1NCCCC1(F)F Q63588 [0,1,0,1,0,0|2,0,0]=4 539 B9R1.106 CC1(C)C(=O)NCC1N L13294 [0,1,0,1,0,0|2,0,0]=4 540 B9R1.106 CC1(C)C(=O)NC[C@@H]1N O33145 [0,1,0,1,0,0|2,0,0]=4 541 B9R1.106 CC1(C)C(=O)NC[C@H]1N L13424 [0,1,0,1,0,0|2,0,0]=4 542 B9R1.110 CC(Br)C(=O)C1CCC1 P47345 [0,1,0,1,0,0|1,0,0]=3 543 B9R1.110 CN(C)C(=O)C1CCC1 P45456 [0,1,0,1,0,0|2,0,0]=4 544 B9R1.10 C=C1CCC(C)(O)CC1 P43800 [0,1,0,1,0,0|2,0,0]=4 545 B9R1.10 CC1(C)CC=C(Br)CC1 N24756 [0,1,0,1,0,0|2,0,0]=4 546 B9R1.10 CC1(C)CCC(=O)NC1 Q63050 [0,1,0,1,0,0|1,0,0]=3 547 B9R1.10 CC1(C)CCC(N)=NC1 Q65224 [0,1,0,1,0,0|2,0,0]=4 548 B9R1.10 CC1(C)CNC(=O)CN1 L13881 [0,1,0,1,0,0|2,0,0]=4 549 B9R1.10 CC1(N)CCC(=O)CC1 P48980 [0,1,0,1,0,0|1,0,0]=3 550 B9R1.10 CC1(N)CCS(=O)CC1 Q57987 [0,1,0,1,0,0|2,0,0]=4 551 B9R1.10 CC1(O)CCC(=O)CC1 D-2566 [0,1,0,1,0,0|1,0,0]=3 552 B9R1.10 O=C1CCC(F)(F)CC1 G-7873 [0,1,0,1,0,0|2,0,0]=4 553 B9R1.10 O=C1CCC(F)(F)CN1 I-9477 [0,1,0,1,0,0|2,0,0]=4 554 B9R1.125 CC1(CN)CCC(=O)N1 Q65054 [0,1,0,1,0,0|2,0,0]=4 555 B9R1.125 CC1(CO)CCC(=O)N1 Q65055 [0,1,0,1,0,0|2,0,0]=4 556 B9R1.138 CC1(C)CNC(=O)C1O Q61925 [0,1,0,1,0,0|2,0,0]=4 557 B9R2.33 O=C1CC2CCC2C1 Q54738 [0,0,0,2,0,0|1,0,0]=3 558 B9R2.33 O=C1NC2CCC2O1 Q58026 [0,0,0,2,0,0|1,0,0]=3 559 B9R2.39 O=C1CC2CC1CN2 P47120 [0,0,0,2,0,0|2,0,0]=4 560 B9R2.39 O=C1CC2CC1CO2 P49791 [0,0,0,2,0,0|2,0,0]=4 561 B9R2.39 O=C1CC2CCC1O2 P45436 [0,0,0,2,0,0|2,0,0]=4 562 B9R2.39 O=C1CC2CNC1C2 P46610 [0,0,0,2,0,0|2,0,0]=4 563 B9R2.39 O=C1CN2CCC1C2 P44394 [0,0,0,2,0,0|2,0,0]=4 564 B9R2.39 O=C1C[C@@H]2CC[C@H]1C2 P45557 [0,0,0,2,0,0|1,0,0]=3 565 B9R2.39 O=C1C[C@@H]2CC[C@H]1C2 Q52554 [0,0,0,2,0,0|1,0,0]=3 566 B9R2.39 O=C1C[C@H]2C[C@@H]1CN2 P49261 [0,0,0,2,0,0|2,0,0]=4 567 B9R2.39 O=C1NC2CCC1C2 P45900 [0,0,0,2,0,0|1,0,0]=3 568 B9R2.39 O=C1OC2CCC1C2 P45453 [0,0,0,2,0,0|0,0,0]=2 569 B9R2.39 O=C1OC2CNC1C2 L19710 [0,0,0,2,0,0|1,0,0]=3 570 B9R2.39 O=C1O[C@@H]2CN[C@H]1C2 P45200 [0,0,0,2,0,0|1,0,0]=3 571 B9R2.139 O=C1CC2(CC2)CO1 O33397 [0,0,0,2,0,0|2,0,0]=4 572 B9R2.139 O=C1CCC2(CC2)C1 Q62619 [0,0,0,2,0,0|1,0,0]=3 573 B9R2.53 O=C1C2CNCC1C2 O32961 [0,0,0,2,0,0|2,0,0]=4 574 B9R2.53 O=C1C2CNCC1C2 P48314 [0,0,0,2,0,0|2,0,0]=4 575 B9R2.19 O=C1CCC2CC1C2 P44051 [0,0,0,2,0,0|1,0,0]=3 576 B9R2.19 O=C1NCC2CC1C2 K16109 [0,0,0,2,0,0|1,0,0]=3 577 B9R2.19 O=C1NCC2CC1N2 P44085 [0,0,0,2,0,0|2,0,0]=4 578 B9R2.21 O=C1CC2CC2CN1 Q53445 [0,0,0,2,0,0|1,0,0]=3 579 B9R2.21 O=C1CCC2CC2N1 Q53446 [0,0,0,2,0,0|1,0,0]=3 580 B9R2.109 O=C1CCCC2CC12 H-8032 [0,0,0,2,0,0|1,0,0]=3 581 B9R2.109 O=C1CCCC2OC12 10693 [0,0,0,2,0,0|2,0,0]=4 582 B9R2.109 O=C1COCC2CC12 Q63936 [0,0,0,2,0,0|2,0,0]=4 583 B9R2.109 O=C1NCCC2CC12 Q61174 [0,0,0,2,0,0|1,0,0]=3 584 B9R2.140 O=C1CCC12CCC2 Q56022 [0,0,0,2,0,0|1,0,0]=3 585 B9R2.140 O=C1CCC12CNC2 Q56056 [0,0,0,2,0,0|2,0,0]=4 586 B9R2.140 O=C1CCC12COC2 Q55990 [0,0,0,2,0,0|2,0,0]=4 587 B9R2.7 O=C1CC2CNCC12 Q55051 [0,0,0,2,0,0|2,0,0]=4