0 B8R0.1 C=CCOC(=O)CCC Q69608 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.1 CCC#CC(=O)OCC Q56870 [0,0,0,0,0,0|0,0,2]=2 2 B8R0.1 CCCCN(C)CCO Q66068 [0,0,0,0,0,0|4,0,0]=4 3 B8R0.1 CCCNC(=O)CCN P42190 [0,0,0,0,0,0|3,0,0]=3 4 B8R0.1 CCCNC(=O)CNC P35278 [0,0,0,0,0,0|3,0,0]=3 5 B8R0.1 CCCNC(=O)CNC P42832 [0,0,0,0,0,0|3,0,0]=3 6 B8R0.1 CCOC(=O)CN=[N+]=[N-] P36907 [0,0,0,0,0,0|3,0,0]=3 7 B7R0.1 CCCCOCCN P36925 [1,0,0,0,0,0|3,0,0]=4 8 B7R0.3 CCCC[C@@H](N)CO P35979 [1,0,0,0,0,0|2,0,1]=4 9 B7R0.3 CCCC[C@H](N)CO P35978 [1,0,0,0,0,0|2,0,1]=4 10 B7R0.3 CCCNC(=O)CN P36648 [1,0,0,0,0,0|2,0,0]=3 11 B7R0.3 CC\C=C\C(=O)OC Q70108 [1,0,0,0,0,0|0,0,2]=3 12 B7R0.3 CNC(=O)CCCN P40550 [1,0,0,0,0,0|2,0,0]=3 13 B7R0.3 CNCCC(=O)NC P37767 [1,0,0,0,0,0|2,0,0]=3 14 B7R0.3 CNCCC(=O)OC P36826 [1,0,0,0,0,0|1,0,0]=2 15 B7R0.3 COC(=O)CN=[N+]=[N-] P40367 [1,0,0,0,0,0|3,0,0]=4 16 B7R0.7 CCNC(=O)CC#N P41076 [1,0,0,0,0,0|2,0,1]=4 17 B7R0.7 CCNC(=O)CCN P36830 [1,0,0,0,0,0|2,0,0]=3 18 B7R0.7 CCNC(=O)CNC P35209 [1,0,0,0,0,0|2,0,0]=3 19 B7R0.7 CCNC(=O)CNC P39556 [1,0,0,0,0,0|2,0,0]=3 20 B7R0.7 CCOC(=O)CCI P36879 [1,0,0,0,0,0|1,0,0]=2 21 B7R0.7 CCOC(=O)NCO Q69358 [1,0,0,0,0,0|2,0,0]=3 22 B7R0.7 CCOC(=O)\C=C\[O-] I-9388 [1,0,0,0,0,0|1,0,2]=4 23 B9R0.5 CCCCNC(=O)CC#N P38337 [0,1,0,0,0,0|2,0,1]=4 24 B9R0.18 CCCCC(N)CCCC M15282 [0,1,0,0,0,0|2,0,1]=4 25 B9R0.18 O=C(NCCCl)NCCCl P43328 [0,1,0,0,0,0|3,0,0]=4 26 B9R0.34 CCOC(=O)C[C@@H](O)CCl P35219 [0,1,0,0,0,0|1,0,0]=2 27 B9R0.34 CCOC(=O)C[C@H](O)CCl P35666 [0,1,0,0,0,0|1,0,0]=2 28 B9R0.35 C#CCC(N)C(=O)OCC P40977 [0,1,0,0,0,0|0,0,2]=3 29 B9R0.35 CCOC(=O)C(=O)CC#N H-8899 [0,1,0,0,0,0|1,0,2]=4 30 B9R1.2 C=CC1CCCC(=O)C1 P47289 [0,0,0,1,0,0|1,0,2]=4 31 B9R1.2 CC1CC(CN)CCO1 Q57803 [0,0,0,1,0,0|2,0,1]=4 32 B9R1.2 CC1CC(CN)CCO1 Q57804 [0,0,0,1,0,0|2,0,1]=4 33 B9R1.2 CC1CC(CO)CCO1 Q57696 [0,0,0,1,0,0|2,0,1]=4 34 B9R1.2 CCC1CC(=O)CCO1 10650 [0,0,0,1,0,0|2,0,0]=3 35 B9R1.2 CCN1CCNC(=O)C1 L21411 [0,0,0,1,0,0|2,0,0]=3 36 B9R1.2 COC1CCCC(=O)C1 P44206 [0,0,0,1,0,0|2,0,0]=3 37 B9R1.2 NCC1CCCC(=O)N1 Q65073 [0,0,0,1,0,0|3,0,0]=4 38 B9R1.2 NCC1CCNC(=O)C1 C-3610 [0,0,0,1,0,0|2,0,0]=3 39 B9R1.2 NCC1CCNC(=O)C1 Q51820 [0,0,0,1,0,0|2,0,0]=3 40 B9R1.2 O=C1CC(CO)CCN1 C-3400 [0,0,0,1,0,0|2,0,0]=3 41 B9R1.2 O=C1CCCC(CCl)N1 Q59897 [0,0,0,1,0,0|3,0,0]=4 42 B9R1.2 O=C1CCCC(CO)N1 10055 [0,0,0,1,0,0|3,0,0]=4 43 B9R1.2 O=C1CCC[C@H](CO)N1 Q65248 [0,0,0,1,0,0|3,0,0]=4 44 B9R1.2 O=C1CCOC(CO)C1 Q54642 [0,0,0,1,0,0|3,0,0]=4 45 B9R1.8 CCC[C@@H]1CCCCN1 Q54719 [0,0,0,1,0,0|2,0,1]=4 46 B9R1.8 CCOC1CCCNC1 P42499 [0,0,0,1,0,0|2,0,1]=4 47 B9R1.8 CCOC1CCNCC1 P42609 [0,0,0,1,0,0|2,0,1]=4 48 B9R1.15 CCN1CCNCC1=O A-474 [0,0,0,1,0,0|2,0,0]=3 49 B9R1.15 CNC1CCCCC1=O O32079 [0,0,0,1,0,0|2,0,0]=3 50 B9R1.15 COC1CCCCC1=O P44670 [0,0,0,1,0,0|2,0,0]=3 51 B9R1.15 COC1COCCC1=O C-3417 [0,0,0,1,0,0|3,0,0]=4 52 B9R1.15 COC1OCCCC1=O L19674 [0,0,0,1,0,0|3,0,0]=4 53 B9R1.15 CO[C@@H]1COCCC1=O Q55743 [0,0,0,1,0,0|3,0,0]=4 54 B9R1.15 CO[C@H]1COCCC1=O Q55744 [0,0,0,1,0,0|3,0,0]=4 55 B9R1.15 N#CC1CCCCC1=O P44647 [0,0,0,1,0,0|2,0,1]=4 56 B9R1.15 O=C1COCCC1CO Q64449 [0,0,0,1,0,0|3,0,0]=4 57 B9R1.15 O=CC1CCCCC1=O P49435 [0,0,0,1,0,0|2,0,1]=4 58 B9R1.33 COCC1CCCC1=O O31995 [0,0,0,1,0,0|2,0,0]=3 59 B9R1.33 NCCN1CCCC1=O P39375 [0,0,0,1,0,0|3,0,0]=4 60 B9R1.33 NCCN1CCOC1=O M22885 [0,0,0,1,0,0|2,0,0]=3 61 B9R1.33 O=C1CCCN1CCBr M23139 [0,0,0,1,0,0|3,0,0]=4 62 B9R1.33 O=C1OCCC1CCBr Q69615 [0,0,0,1,0,0|1,0,0]=2 63 B9R1.48 CC1CC(=O)NCCN1 G-6003 [0,0,0,1,0,0|3,0,0]=4 64 B9R1.48 NC1CCCNC(=O)C1 S72677 [0,0,0,1,0,0|3,0,0]=4 65 B9R1.49 CN1CCNC(=O)CC1 O34314 [0,0,0,1,0,0|2,0,0]=3 66 B9R1.69 CC1CC(=O)CCC1O P44912 [0,0,0,1,0,0|2,0,0]=3 67 B9R1.69 CC1CCC(=O)OC1=O Q61441 [0,0,0,1,0,0|1,0,1]=3 68 B9R1.69 C[C@@H]1CC(=O)CC[C@H]1O P49131 [0,0,0,1,0,0|2,0,0]=3 69 B9R1.69 C[C@@H]1CCC(=O)CN1C Q56726 [0,0,0,1,0,0|2,0,0]=3 70 B9R1.69 C[C@H]1CCC(=O)CN1C Q56727 [0,0,0,1,0,0|2,0,0]=3 71 B9R1.73 CCCC(=O)C1CCC1 P45625 [0,0,0,1,0,0|1,0,0]=2 72 B9R1.73 CCCC(N)C1CCC1 P48950 [0,0,0,1,0,0|2,0,1]=4 73 B9R1.73 CCNC(=O)C1CNC1 P48513 [0,0,0,1,0,0|2,0,0]=3 74 B9R1.73 CCNC(=O)C1CNC1 P48516 [0,0,0,1,0,0|2,0,0]=3 75 B9R1.73 CCOC(=O)C1CCN1 P40788 [0,0,0,1,0,0|1,0,0]=2 76 B9R1.73 CCOC(=O)C1CNC1 C-2881 [0,0,0,1,0,0|1,0,0]=2 77 B9R1.73 CCOC(=O)[C@@H]1CCN1 P34796 [0,0,0,1,0,0|1,0,0]=2 78 B9R1.73 N#CCC(=O)C1CCC1 C-3303 [0,0,0,1,0,0|2,0,1]=4 79 B9R1.73 O=C(CCCl)N1CCC1 P42685 [0,0,0,1,0,0|3,0,0]=4 80 B9R1.75 CCOC(=O)CC1CC1 L14011 [0,0,0,1,0,0|0,0,0]=1 81 B9R1.75 O=C(CCCl)NC1CC1 P37314 [0,0,0,1,0,0|3,0,0]=4 82 B9R1.100 NCCNC(=O)C1CC1 O28367 [0,0,0,1,0,0|3,0,0]=4 83 B9R1.183 CCOC(=O)C1N=C1C K16119 [0,0,0,1,0,0|1,0,1]=3 84 B6R0.6 CNCCCOC P37437 [2,0,0,0,0,0|1,0,1]=4 85 B6R0.6 COCCCCN O29739 [2,0,0,0,0,0|1,0,1]=4 86 B6R0.1 CCC(=O)CC#N P38761 [2,0,0,0,0,0|1,0,1]=4 87 B6R0.1 CCNC(=O)CN P39222 [2,0,0,0,0,0|2,0,0]=4 88 B6R0.1 CCNC(=O)CO O31312 [2,0,0,0,0,0|2,0,0]=4 89 B6R0.1 CCNC(=O)NC M15284 [2,0,0,0,0,0|2,0,0]=4 90 B6R0.1 CCOC(=N)CCl P38507 [2,0,0,0,0,0|2,0,0]=4 91 B6R0.1 CNC(=O)CCCl P38167 [2,0,0,0,0,0|2,0,0]=4 92 B6R0.1 CNC(=O)CCN P37692 [2,0,0,0,0,0|2,0,0]=4 93 B6R0.1 CNCC(=O)NC P37691 [2,0,0,0,0,0|2,0,0]=4 94 B6R0.1 CNCC(=O)NC P38046 [2,0,0,0,0,0|2,0,0]=4 95 B6R0.4 CCNCC(=O)O P37534 [2,0,0,0,0,0|1,0,0]=3 96 B6R0.4 CCNCC(N)=O P36580 [2,0,0,0,0,0|2,0,0]=4 97 B6R0.4 CNCCC(=O)O P36779 [2,0,0,0,0,0|1,0,0]=3 98 B6R0.4 CNCCC(=O)O P39205 [2,0,0,0,0,0|1,0,0]=3 99 B6R0.4 CNCCC(N)=O P37896 [2,0,0,0,0,0|2,0,0]=4 100 B8R0.3 C#CC[C@@H](N)C(=O)OC Q65834 [1,1,0,0,0,0|0,0,2]=4 101 B8R0.3 C#CC[C@H](N)C(=O)OC P40730 [1,1,0,0,0,0|0,0,2]=4 102 B8R0.3 CCCC(N)C(=O)OC P43113 [1,1,0,0,0,0|0,0,0]=2 103 B8R0.8 CC(C)C(=O)NCCN P37576 [1,1,0,0,0,0|2,0,0]=4 104 B8R0.8 CNCCC(=O)N(C)C P40566 [1,1,0,0,0,0|2,0,0]=4 105 B8R0.9 CC(C)CNC(=O)CCl P38819 [1,1,0,0,0,0|2,0,0]=4 106 B8R0.9 COC(=O)CNC(C)=O P42621 [1,1,0,0,0,0|1,0,1]=4 107 B8R0.5 CCCC(=O)CC(C)=O O29704 [1,1,0,0,0,0|1,0,1]=4 108 B8R0.5 CCOC(=O)CC(C)N P42993 [1,1,0,0,0,0|0,0,0]=2 109 B8R0.5 CCOC(=O)C[C@@H](C)O P39378 [1,1,0,0,0,0|0,0,0]=2 110 B8R0.5 CCOC(=O)C[C@H](C)N Q68957 [1,1,0,0,0,0|0,0,0]=2 111 B8R0.5 CNCC(=O)NC(C)C P37714 [1,1,0,0,0,0|2,0,0]=4 112 B8R0.5 CNCC(=O)NC(C)C P42287 [1,1,0,0,0,0|2,0,0]=4 113 B10R0.28 CC(C)(C)OC(=O)CCCBr P42644 [0,2,0,0,0,0|1,0,0]=3 114 B10R0.28 CC(C)(C)OC(=O)CCCN P37790 [0,2,0,0,0,0|1,0,0]=3 115 B10R0.28 CC(C)(C)OC(=O)CCNN L20963 [0,2,0,0,0,0|2,0,0]=4 116 B10R0.28 CC(C)(C)OC(=O)NCCI O28039 [0,2,0,0,0,0|2,0,0]=4 117 B10R0.28 CC(C)(C)OC(=O)NCCN A-450 [0,2,0,0,0,0|2,0,0]=4 118 B10R0.28 CC(C)(C)OC(=O)NCCS P36691 [0,2,0,0,0,0|2,0,0]=4 119 B10R0.28 CCNCC(=O)OC(C)(C)C P40571 [0,2,0,0,0,0|1,0,0]=3 120 B10R0.28 CCNNC(=O)OC(C)(C)C O30215 [0,2,0,0,0,0|2,0,0]=4 121 B10R0.28 CNCCC(=O)OC(C)(C)C O28940 [0,2,0,0,0,0|1,0,0]=3 122 B10R0.1 CCOC(=O)CCCN=[N+]=[N-] P37717 [0,2,0,0,0,0|1,0,0]=3 123 B10R0.1 CCOC(=O)CNCCC#N P51415 [0,2,0,0,0,0|0,0,1]=3 124 B10R0.2 CCOC(=O)CC(=O)COC P36738 [0,2,0,0,0,0|0,0,1]=3 125 B10R0.3 CCOC(=O)CCCC(C)=O K13405 [0,2,0,0,0,0|0,0,0]=2 126 B10R0.108 CCOC(=O)CCC(=O)CBr O30317 [0,2,0,0,0,0|0,0,1]=3 127 B10R0.78 CCCCC(=O)NCC(=O)O M15457 [0,2,0,0,0,0|1,0,1]=4 128 B10R0.129 CCOC(=O)C(C)(C)CCCl O32194 [0,2,0,0,0,0|1,0,0]=3 129 B10R0.109 CCOC(=O)CC[B-](F)(F)F P50965 [0,2,0,0,0,0|2,0,0]=4 130 B8R1.2 BrCC1=CCCCC1 G-7545 [1,0,0,1,0,0|2,0,0]=4 131 B8R1.2 BrCC1CCOCC1 G-5150 [1,0,0,1,0,0|1,0,1]=4 132 B8R1.2 CCC1CCNCC1 P41021 [1,0,0,1,0,0|1,0,1]=4 133 B8R1.2 CC[C@@H]1CCCCN1 Q54717 [1,0,0,1,0,0|2,0,0]=4 134 B8R1.2 CC[C@@H]1CCCNC1 Q61422 [1,0,0,1,0,0|2,0,0]=4 135 B8R1.2 CC[C@H]1CCCNC1 Q61421 [1,0,0,1,0,0|2,0,0]=4 136 B8R1.2 CNC1CCOCC1 G-5151 [1,0,0,1,0,0|1,0,1]=4 137 B8R1.2 ICC1CCOCC1 C-3412 [1,0,0,1,0,0|1,0,1]=4 138 B8R1.2 NCC1=CCCCC1 P38792 [1,0,0,1,0,0|2,0,0]=4 139 B8R1.2 NCC1CC=CCC1 P39320 [1,0,0,1,0,0|2,0,0]=4 140 B8R1.2 NCC1CCOCC1 C-3413 [1,0,0,1,0,0|1,0,1]=4 141 B8R1.2 OCC1CCOCC1 C-3562 [1,0,0,1,0,0|1,0,1]=4 142 B8R1.5 CC1CCNCC1C Q59916 [1,0,0,1,0,0|2,0,0]=4 143 B8R1.5 C[C@@H]1CCCN[C@@H]1C P45337 [1,0,0,1,0,0|1,0,1]=4 144 B8R1.5 C[C@@H]1CCCN[C@@H]1C Q61336 [1,0,0,1,0,0|1,0,1]=4 145 B8R1.8 CCNC1CCOC1 L13931 [1,0,0,1,0,0|1,0,1]=4 146 B8R1.8 CCOC1CCNC1 P42418 [1,0,0,1,0,0|1,0,1]=4 147 B8R1.8 CCO[C@@H]1CCNC1 L14178 [1,0,0,1,0,0|1,0,1]=4 148 B8R1.8 CCO[C@H]1CCNC1 L14118 [1,0,0,1,0,0|1,0,1]=4 149 B8R1.8 CCO[C@H]1CCNC1 P40747 [1,0,0,1,0,0|1,0,1]=4 150 B8R1.8 CNCC1CCOC1 L14905 [1,0,0,1,0,0|1,0,1]=4 151 B8R1.10 CCNCC1CCC1 P45276 [1,0,0,1,0,0|1,0,1]=4 152 B8R1.10 CCNCC1CCC1 P45868 [1,0,0,1,0,0|1,0,1]=4 153 B8R1.10 CCOCC1CNC1 P44922 [1,0,0,1,0,0|1,0,1]=4 154 B8R1.1 C=CC1CCC(=O)C1 Q57034 [1,0,0,1,0,0|0,0,2]=4 155 B8R1.1 C=CC1COC(=O)C1 F-4407 [1,0,0,1,0,0|0,0,2]=4 156 B8R1.1 CCC1CCC(C)N1 Q59319 [1,0,0,1,0,0|1,0,1]=4 157 B8R1.1 CNC1CNC(=O)C1 L19088 [1,0,0,1,0,0|2,0,0]=4 158 B8R1.1 CN[C@H]1CNC(=O)C1 Q61671 [1,0,0,1,0,0|2,0,0]=4 159 B8R1.1 N#C[C@@H]1CCC(=O)C1 Q55084 [1,0,0,1,0,0|1,0,1]=4 160 B8R1.1 N#C[C@H]1CCC(=O)C1 Q55085 [1,0,0,1,0,0|1,0,1]=4 161 B8R1.1 NCC1CNC(=O)C1 G-5016 [1,0,0,1,0,0|2,0,0]=4 162 B8R1.1 NCC1CNC(=O)C1 G-5352 [1,0,0,1,0,0|2,0,0]=4 163 B8R1.1 NCC1COC(=O)N1 L13942 [1,0,0,1,0,0|2,0,0]=4 164 B8R1.1 NC[C@@H]1CCC(=O)N1 10036 [1,0,0,1,0,0|2,0,0]=4 165 B8R1.1 NC[C@@H]1CCC(=O)N1 O33611 [1,0,0,1,0,0|2,0,0]=4 166 B8R1.1 NC[C@@H]1CNC(=O)C1 I-9821 [1,0,0,1,0,0|2,0,0]=4 167 B8R1.1 NC[C@@H]1CNC(=O)C1 L13273 [1,0,0,1,0,0|2,0,0]=4 168 B8R1.1 NC[C@H]1CCC(=O)N1 10096 [1,0,0,1,0,0|2,0,0]=4 169 B8R1.1 NC[C@H]1CNC(=O)C1 I-9497 [1,0,0,1,0,0|2,0,0]=4 170 B8R1.1 NC[C@H]1CNC(=O)C1 L13364 [1,0,0,1,0,0|2,0,0]=4 171 B8R1.1 O=C1CC(CO)CN1 M22864 [1,0,0,1,0,0|2,0,0]=4 172 B8R1.1 O=C1CC(CO)CO1 H-8701 [1,0,0,1,0,0|1,0,0]=3 173 B8R1.1 O=C1CCC(CO)C1 Q62791 [1,0,0,1,0,0|1,0,0]=3 174 B8R1.1 O=C1CCC(CO)N1 M23573 [1,0,0,1,0,0|2,0,0]=4 175 B8R1.1 O=C1CC[C@@H](CBr)C1 Q64130 [1,0,0,1,0,0|1,0,0]=3 176 B8R1.1 O=C1CC[C@@H](CBr)N1 P36413 [1,0,0,1,0,0|2,0,0]=4 177 B8R1.1 O=C1CC[C@@H](CF)N1 Q59250 [1,0,0,1,0,0|2,0,0]=4 178 B8R1.1 O=C1CC[C@@H](CO)C1 Q62794 [1,0,0,1,0,0|1,0,0]=3 179 B8R1.1 O=C1CC[C@@H](CO)O1 K12361 [1,0,0,1,0,0|2,0,0]=4 180 B8R1.1 O=C1CC[C@H](CBr)C1 Q64129 [1,0,0,1,0,0|1,0,0]=3 181 B8R1.1 O=C1CC[C@H](CBr)N1 P34760 [1,0,0,1,0,0|2,0,0]=4 182 B8R1.1 O=C1CC[C@H](CO)C1 Q62792 [1,0,0,1,0,0|1,0,0]=3 183 B8R1.1 O=C1N[C@@H](CI)CO1 10034 [1,0,0,1,0,0|2,0,0]=4 184 B8R1.1 O=C1N[C@@H](CO)CO1 10001 [1,0,0,1,0,0|2,0,0]=4 185 B8R1.1 O=C1N[C@H](CO)CO1 10026 [1,0,0,1,0,0|2,0,0]=4 186 B8R1.3 C=C1CCC(=O)CC1 P44029 [1,0,0,1,0,0|0,0,2]=4 187 B8R1.3 C=C1CCC(N)CC1 L19013 [1,0,0,1,0,0|2,0,0]=4 188 B8R1.3 CC1C=CC(=O)CC1 K12331 [1,0,0,1,0,0|0,0,2]=4 189 B8R1.3 CC1CCC(=O)NC1 L13409 [1,0,0,1,0,0|1,0,0]=3 190 B8R1.3 CC1CNC(=O)CN1 P35228 [1,0,0,1,0,0|2,0,0]=4 191 B8R1.3 C[C@@H]1CCC(=O)CN1 Q56751 [1,0,0,1,0,0|1,0,0]=3 192 B8R1.3 C[C@@H]1CCC(=O)CN1 Q56752 [1,0,0,1,0,0|1,0,0]=3 193 B8R1.3 C[C@@H]1CNC(=O)CN1 L14453 [1,0,0,1,0,0|2,0,0]=4 194 B8R1.3 C[C@H]1CCC(=O)CN1 Q56753 [1,0,0,1,0,0|1,0,0]=3 195 B8R1.3 C[C@H]1CCC(=O)CN1 Q56754 [1,0,0,1,0,0|1,0,0]=3 196 B8R1.3 C[C@H]1CC[C@H](N)CC1 P45887 [1,0,0,1,0,0|1,0,1]=4 197 B8R1.3 C[C@H]1CNC(=O)CN1 L13879 [1,0,0,1,0,0|2,0,0]=4 198 B8R1.3 NC1CCC(=O)CC1 P36686 [1,0,0,1,0,0|1,0,0]=3 199 B8R1.3 NC1CCC(=O)NC1 C-3401 [1,0,0,1,0,0|2,0,0]=4 200 B8R1.3 NC1CCS(=O)CC1 Q54883 [1,0,0,1,0,0|2,0,0]=4 201 B8R1.3 NC1CCS(=O)CC1 Q54884 [1,0,0,1,0,0|2,0,0]=4 202 B8R1.3 N[C@@H]1CCC(=O)NC1 L21492 [1,0,0,1,0,0|2,0,0]=4 203 B8R1.3 N[C@H]1CCC(=O)NC1 L21629 [1,0,0,1,0,0|2,0,0]=4 204 B8R1.3 O=C1CCC(=O)OC1 K12424 [1,0,0,1,0,0|1,0,1]=4 205 B8R1.3 O=C1CCC(Br)CC1 P39565 [1,0,0,1,0,0|1,0,0]=3 206 B8R1.3 O=C1CCC(F)CC1 L21631 [1,0,0,1,0,0|1,0,0]=3 207 B8R1.3 O=C1CCC(F)CN1 Q54421 [1,0,0,1,0,0|2,0,0]=4 208 B8R1.3 O=C1CC[C@H](O)CN1 Q52728 [1,0,0,1,0,0|2,0,0]=4 209 B8R1.3 O=S1CCC(O)CC1 Q57900 [1,0,0,1,0,0|2,0,0]=4 210 B8R1.38 CCC(=O)C1CCC1 P45339 [1,0,0,1,0,0|0,0,0]=2 211 B8R1.38 CCC(=O)C1COC1 Q56142 [1,0,0,1,0,0|1,0,0]=3 212 B8R1.38 CCC(O)C1CCC1 P48473 [1,0,0,1,0,0|0,0,2]=4 213 B8R1.38 CNC(=O)C1CCC1 P49094 [1,0,0,1,0,0|1,0,0]=3 214 B8R1.38 CNC(=O)C1CNC1 P45048 [1,0,0,1,0,0|2,0,0]=4 215 B8R1.38 CNC(=O)C1CNC1 P45049 [1,0,0,1,0,0|2,0,0]=4 216 B8R1.38 COC(=O)C1C=CC1 P47818 [1,0,0,1,0,0|0,0,2]=4 217 B8R1.38 COC(=O)C1CCC1 P45206 [1,0,0,1,0,0|0,0,0]=2 218 B8R1.38 COC(=O)C1CCN1 F-4237 [1,0,0,1,0,0|1,0,0]=3 219 B8R1.38 COC(=O)C1CNC1 A-420 [1,0,0,1,0,0|1,0,0]=3 220 B8R1.38 COC(=O)C1CNC1 F-4426 [1,0,0,1,0,0|1,0,0]=3 221 B8R1.38 COC(=O)C1COC1 L13768 [1,0,0,1,0,0|1,0,0]=3 222 B8R1.38 COC(=O)[C@@H]1CCN1 G-7134 [1,0,0,1,0,0|1,0,0]=3 223 B8R1.38 COC(=O)[C@H]1CCN1 G-7965 [1,0,0,1,0,0|1,0,0]=3 224 B8R1.38 NCC(=O)C1CCC1 L19863 [1,0,0,1,0,0|1,0,0]=3 225 B8R1.38 NCC(=O)N1CCC1 P42497 [1,0,0,1,0,0|2,0,0]=4 226 B8R1.38 NNC(=O)C1CCC1 P44614 [1,0,0,1,0,0|2,0,0]=4 227 B8R1.38 O=C(CBr)C1CCC1 P44370 [1,0,0,1,0,0|1,0,0]=3 228 B8R1.38 O=C(CBr)N1CCC1 P44519 [1,0,0,1,0,0|2,0,0]=4 229 B8R1.38 O=C(CCl)C1CCC1 P45495 [1,0,0,1,0,0|1,0,0]=3 230 B8R1.38 O=C(CCl)N1CCC1 P34713 [1,0,0,1,0,0|2,0,0]=4 231 B8R1.38 O=C(CO)C1CCC1 P45459 [1,0,0,1,0,0|1,0,0]=3 232 B8R1.38 O=C(NO)C1CCC1 P45195 [1,0,0,1,0,0|2,0,0]=4 233 B8R1.40 COC(=O)C=C1CC1 H-8420 [1,0,0,1,0,0|0,0,2]=4 234 B8R1.40 COC(=O)CC1CC1 G-7131 [1,0,0,1,0,0|0,0,0]=2 235 B8R1.40 NCC(=O)NC1CC1 P36714 [1,0,0,1,0,0|2,0,0]=4 236 B8R1.50 CC1C(=O)CCN1C Q52697 [1,0,0,1,0,0|1,0,0]=3 237 B8R1.4 CC1CC(=O)CCN1 D-2514 [1,0,0,1,0,0|2,0,0]=4 238 B8R1.4 CC1CC(=O)CCO1 A-836 [1,0,0,1,0,0|2,0,0]=4 239 B8R1.4 CC1CCNC(=O)C1 L13355 [1,0,0,1,0,0|1,0,0]=3 240 B8R1.4 CN1CCOC(=O)C1 Q54674 [1,0,0,1,0,0|1,0,0]=3 241 B8R1.4 C[C@@H]1CC(=O)CCN1 G-7641 [1,0,0,1,0,0|2,0,0]=4 242 B8R1.4 C[C@@H]1CC(=O)CCO1 H-8404 [1,0,0,1,0,0|2,0,0]=4 243 B8R1.4 C[C@@H]1CNCC(=O)N1 L13903 [1,0,0,1,0,0|2,0,0]=4 244 B8R1.4 C[C@H]1CC(=O)CCN1 G-6964 [1,0,0,1,0,0|2,0,0]=4 245 B8R1.4 C[C@H]1CC(=O)CCN1 G-7640 [1,0,0,1,0,0|2,0,0]=4 246 B8R1.4 C[C@H]1CC(=O)CCN1 Q61425 [1,0,0,1,0,0|2,0,0]=4 247 B8R1.4 C[C@H]1CC(=O)CCO1 A-837 [1,0,0,1,0,0|2,0,0]=4 248 B8R1.4 C[C@H]1CNCC(=O)N1 G-7098 [1,0,0,1,0,0|2,0,0]=4 249 B8R1.4 C[C@H]1CNCC(=O)N1 H-8010 [1,0,0,1,0,0|2,0,0]=4 250 B8R1.4 NC1CCCC(=O)C1 P48005 [1,0,0,1,0,0|2,0,0]=4 251 B8R1.4 NC1CCNC(=O)C1 C-2485 [1,0,0,1,0,0|2,0,0]=4 252 B8R1.4 O=C1CC(F)CCN1 Q54422 [1,0,0,1,0,0|2,0,0]=4 253 B8R1.4 O=C1CCCC(Br)C1 P45384 [1,0,0,1,0,0|2,0,0]=4 254 B8R1.4 O=C1CCCC(F)C1 P43987 [1,0,0,1,0,0|2,0,0]=4 255 B8R1.4 O=C1CCCC(O)C1 L18346 [1,0,0,1,0,0|2,0,0]=4 256 B8R1.4 O=C1CCC[C@H](O)C1 P47405 [1,0,0,1,0,0|2,0,0]=4 257 B8R1.4 O=C1CCOC(=O)C1 H-8796 [1,0,0,1,0,0|1,0,1]=4 258 B8R1.37 CCCC(=O)C1CC1 P45338 [1,0,0,1,0,0|1,0,0]=3 259 B10R1.61 CC(=O)C1CCCCC1=O P44674 [0,1,0,1,0,0|1,0,1]=4 260 B10R1.61 CN(C)C1CCCCC1=O Q59742 [0,1,0,1,0,0|2,0,0]=4 261 B10R1.10 CC1CC(CCN)CCO1 Q57809 [0,1,0,1,0,0|1,0,1]=4 262 B10R1.10 CCCC1CC(=O)CCO1 Q57712 [0,1,0,1,0,0|2,0,0]=4 263 B10R1.11 CCOC(=O)C1CCNC1 P35998 [0,1,0,1,0,0|0,0,0]=2 264 B10R1.11 CCOC(=O)[C@@H]1CCNC1 P47011 [0,1,0,1,0,0|0,0,0]=2 265 B10R1.11 CCOC(=O)[C@H]1CCNC1 P47010 [0,1,0,1,0,0|0,0,0]=2 266 B10R1.11 NCCC(=O)N1CCCC1 P36713 [0,1,0,1,0,0|2,0,0]=4 267 B10R1.11 O=C(CCCl)N1CCCC1 P36937 [0,1,0,1,0,0|2,0,0]=4 268 B10R1.25 CCN1CCC(=O)CC1=O S72466 [0,1,0,1,0,0|1,0,1]=4 269 B10R1.135 CCOC(=O)C1CC1C#N L22365 [0,1,0,1,0,0|0,0,1]=3 270 B10R1.135 CCOC(=O)C1CC1CO L14731 [0,1,0,1,0,0|0,0,0]=2 271 B10R1.135 CCOC(=O)[C@@H]1C[C@@H]1C#N L14845 [0,1,0,1,0,0|0,0,1]=3 272 B10R1.135 CCOC(=O)[C@@H]1C[C@H]1C#N L22329 [0,1,0,1,0,0|0,0,1]=3 273 B10R1.137 CCOC(=O)C=C1CCC1 P39116 [0,1,0,1,0,0|0,0,1]=3 274 B10R1.137 CCOC(=O)C=C1CNC1 P46248 [0,1,0,1,0,0|0,0,2]=4 275 B10R1.137 CCOC(=O)C=C1COC1 C-2936 [0,1,0,1,0,0|0,0,2]=4 276 B10R1.137 CCOC(=O)CC1CCC1 O32497 [0,1,0,1,0,0|0,0,0]=2 277 B10R1.137 CCOC(=O)CC1CNC1 P36470 [0,1,0,1,0,0|0,0,0]=2 278 B10R1.137 CCOC(=O)CC1COC1 P42298 [0,1,0,1,0,0|0,0,0]=2 279 B10R1.138 CCOC(=O)\C=C\C1CC1 P37267 [0,1,0,1,0,0|0,0,1]=3 280 B10R1.139 CCOC(=O)C1OCC1=O Q54749 [0,1,0,1,0,0|1,0,1]=4 281 B10R1.197 O=C1CCC(CO)CCN1 L19235 [0,1,0,1,0,0|1,0,0]=3 282 B10R1.260 CCOC1CC(=O)C1OC P48136 [0,1,0,1,0,0|2,0,0]=4 283 B10R1.260 CCO[C@@H]1CC(=O)[C@H]1OC P48968 [0,1,0,1,0,0|2,0,0]=4 284 B10R1.30 CCC1CC(C)CCC1=O Q59559 [0,1,0,1,0,0|1,0,0]=3 285 B10R1.176 CN1CCC(CN)CC1=O C-3605 [0,1,0,1,0,0|2,0,0]=4 286 B10R1.176 CN1CCC(CN)CC1=O C-3605-1 [0,1,0,1,0,0|2,0,0]=4 287 B10R1.176 CN1CCC(CO)CC1=O C-2331 [0,1,0,1,0,0|2,0,0]=4 288 B10R1.178 CCCNC(=O)N1CCC1 P47418 [0,1,0,1,0,0|2,0,0]=4 289 B10R1.178 NCCNC(=O)C1CCC1 P44732 [0,1,0,1,0,0|1,0,0]=3 290 B10R1.178 NCCNC(=O)C1CCC1 P47044 [0,1,0,1,0,0|1,0,0]=3 291 B10R1.182 CON(C)C(=O)C1CCC1 L13808 [0,1,0,1,0,0|2,0,0]=4 292 B10R1.4 CCOC1CCCCC1N Q59678 [0,1,0,1,0,0|1,0,1]=4 293 B10R1.4 O=C1CCCCN1CCO L19233 [0,1,0,1,0,0|1,0,0]=3 294 B10R1.4 O=C1COCCN1CCCl L21017 [0,1,0,1,0,0|2,0,0]=4 295 B10R1.149 COC(=O)C1CCOC1=O F-4241 [0,1,0,1,0,0|1,0,1]=4 296 B10R1.181 CCOC(=O)CC1(N)CC1 L14723 [0,1,0,1,0,0|0,0,0]=2 297 B10R1.2 CCN1CCCC(N)C1=O Q53469 [0,1,0,1,0,0|1,0,0]=3 298 B10R1.140 CCOC(=O)C1CC(Br)C1 O33570 [0,1,0,1,0,0|0,0,0]=2 299 B10R1.140 CCOC(=O)C1CC(F)C1 P47878 [0,1,0,1,0,0|0,0,0]=2 300 B10R1.140 CCOC(=O)C1CC(I)C1 P34763 [0,1,0,1,0,0|0,0,0]=2 301 B10R1.140 CCOC(=O)C1CC(N)C1 P41473 [0,1,0,1,0,0|0,0,0]=2 302 B10R1.140 CCOC(=O)C1CC(N)C1 P45251 [0,1,0,1,0,0|0,0,0]=2 303 B10R1.140 CCOC(=O)C1CC(O)C1 A-432 [0,1,0,1,0,0|0,0,0]=2 304 B10R1.140 CCOC(=O)C1CC(O)C1 F-4148 [0,1,0,1,0,0|0,0,0]=2 305 B10R1.140 CCOC(=O)C1CC(O)C1 F-4149 [0,1,0,1,0,0|0,0,0]=2 306 B10R1.140 CCOC(=O)N1CC(N)C1 P47804 [0,1,0,1,0,0|1,0,0]=3 307 B10R1.140 CCOC(=O)N1CC(N)C1 P48729 [0,1,0,1,0,0|1,0,0]=3 308 B10R1.140 CCOC(=O)[C@@H]1CC(=O)O1 Q54790 [0,1,0,1,0,0|1,0,1]=4 309 B10R1.140 CCOC(=O)[C@H]1CC(=O)O1 Q54791 [0,1,0,1,0,0|1,0,1]=4 310 B10R1.140 CCOC(=O)[C@H]1C[C@@H](N)C1 P44311 [0,1,0,1,0,0|0,0,0]=2 311 B10R1.140 CCOC(=O)[C@H]1C[C@H](N)C1 P44717 [0,1,0,1,0,0|0,0,0]=2 312 B10R1.140 CCOC(=O)[C@H]1C[C@H](N)C1 P44719 [0,1,0,1,0,0|0,0,0]=2 313 B10R1.212 CCOC(=O)C(=O)C1CC1 K12409 [0,1,0,1,0,0|0,0,1]=3 314 B10R1.212 CCOC(=O)C(Br)C1CC1 F-4120 [0,1,0,1,0,0|0,0,0]=2 315 B10R1.401 CCOC(=O)C1(C)CNC1 P42921 [0,1,0,1,0,0|1,0,0]=3 316 B10R1.401 CCOC(=O)C1(F)CNC1 P47047 [0,1,0,1,0,0|1,0,0]=3 317 B10R1.401 CCOC(=O)C1(F)CNC1 P47080 [0,1,0,1,0,0|1,0,0]=3 318 B10R1.401 CCOC(=O)C1(N)CCC1 P41209 [0,1,0,1,0,0|0,0,0]=2 319 B10R1.401 CCOC(=O)C1(S)CCC1 P45865 [0,1,0,1,0,0|0,0,0]=2 320 B10R1.1 CCO[C@H]1CC[C@H](N)CC1 P36689 [0,1,0,1,0,0|1,0,1]=4 321 B10R1.93 CCOC1CC(C(C)N)C1 P47342 [0,1,0,1,0,0|1,0,1]=4 322 B10R2.20 CN1C2CCC1C(=O)C2 P44050 [0,0,0,2,0,0|2,0,0]=4 323 B10R2.61 O=C1CC2CCCC1N2 P46614 [0,0,0,2,0,0|2,0,0]=4 324 B10R2.61 O=C1CC2CCCC1N2 P50750 [0,0,0,2,0,0|2,0,0]=4 325 B10R2.61 O=C1CN2CCCC1C2 P45592 [0,0,0,2,0,0|2,0,0]=4 326 B10R2.61 O=C1NC2CCCC1C2 K16106 [0,0,0,2,0,0|1,0,0]=3 327 B10R2.62 O=C1CC2CCC1CC2 P45854 [0,0,0,2,0,0|1,0,0]=3 328 B10R2.62 O=C1CC2CCC1CN2 O33230 [0,0,0,2,0,0|2,0,0]=4 329 B10R2.62 O=C1CN2CCC1CC2 P44564 [0,0,0,2,0,0|2,0,0]=4 330 B10R2.62 O=C1NC2CCC1CC2 G-7914 [0,0,0,2,0,0|2,0,0]=4 331 B10R2.71 O=C1CC2CCC(C1)C2 G-7015 [0,0,0,2,0,0|1,0,0]=3 332 B10R2.71 O=C1CC2CCC(C1)N2 C-3492 [0,0,0,2,0,0|2,0,0]=4 333 B10R2.71 O=C1CC2CCC(C1)O2 G-6882 [0,0,0,2,0,0|2,0,0]=4 334 B10R2.71 O=C1CC2CNC(C1)C2 P48499 [0,0,0,2,0,0|2,0,0]=4 335 B10R2.319 CN1C2CC(=O)CC1C2 P46883 [0,0,0,2,0,0|2,0,0]=4 336 B10R2.534 O=C1CCCC2(CC2)C1 L22282 [0,0,0,2,0,0|1,0,0]=3 337 B10R2.534 O=C1CCCC2(CC2)N1 Q54160 [0,0,0,2,0,0|2,0,0]=4 338 B10R2.534 O=C1CCNC2(CC2)C1 H-8331 [0,0,0,2,0,0|2,0,0]=4 339 B10R2.534 O=C1CCNC2(CC2)C1 Q52727 [0,0,0,2,0,0|2,0,0]=4 340 B10R2.2 O=C1CC2CCOC2O1 Q59460 [0,0,0,2,0,0|1,0,0]=3 341 B10R2.2 O=C1CC2CNCC2N1 Q55263 [0,0,0,2,0,0|2,0,0]=4 342 B10R2.2 O=C1CC2CSCC2C1 G-7777 [0,0,0,2,0,0|2,0,0]=4 343 B10R2.2 O=C1C[C@@H]2COC[C@@H]2C1 Q64138 [0,0,0,2,0,0|2,0,0]=4 344 B10R2.2 O=C1C[C@@H]2COC[C@H]2C1 Q64139 [0,0,0,2,0,0|2,0,0]=4 345 B10R2.2 O=C1C[C@H]2CCC[C@H]2N1 Q61894 [0,0,0,2,0,0|1,0,0]=3 346 B10R2.2 [C@@H]12CNC[C@@H]1CC(=O)C2 I-9320 [0,0,0,2,0,0|2,0,0]=4 347 B10R2.2 [C@@H]12CNC[C@@H]1CC(=O)C2 L14391 [0,0,0,2,0,0|2,0,0]=4 348 B10R2.2 [C@H]12CNC[C@H]1NC(=O)C2 Q52185 [0,0,0,2,0,0|2,0,0]=4 349 B10R2.32 O=C1CCN2CCCC12 Q59293 [0,0,0,2,0,0|2,0,0]=4 350 B10R2.32 [C@@H]12CCN[C@@H]1C(=O)NC2 G-7863 [0,0,0,2,0,0|2,0,0]=4 351 B10R2.32 [C@@H]12CNC(=O)[C@@H]1COC2 Q61922 [0,0,0,2,0,0|2,0,0]=4 352 B10R2.32 [C@@H]12CNC[C@@H]1CNC2=O P50760 [0,0,0,2,0,0|2,0,0]=4 353 B10R2.32 [C@@H]12CNC[C@@H]1CNC2=O Q55529 [0,0,0,2,0,0|2,0,0]=4 354 B10R2.320 O=C1N[C@@H]2CCCC[C@H]12 Q58792 [0,0,0,2,0,0|1,0,0]=3 355 B10R2.178 O=C1CCC2CCC1N2 L18137 [0,0,0,2,0,0|2,0,0]=4 356 B10R2.178 O=C1CCC2CCC1N2 P43913 [0,0,0,2,0,0|2,0,0]=4 357 B10R2.178 O=C1CCN2CCC1C2 P47280 [0,0,0,2,0,0|2,0,0]=4 358 B10R2.15 O=C1CCNCC12CC2 P47247 [0,0,0,2,0,0|2,0,0]=4 359 B10R2.15 O=C1CCOCC12CC2 Q55810 [0,0,0,2,0,0|2,0,0]=4 360 B10R2.15 O=C1CNCCC12CC2 L18144 [0,0,0,2,0,0|2,0,0]=4 361 B10R2.15 O=C1NCCCC12CC2 Q61092 [0,0,0,2,0,0|2,0,0]=4 362 B10R2.41 O=C1C2CCC1CNC2 G-6337 [0,0,0,2,0,0|2,0,0]=4 363 B10R2.41 O=C1C2CCC1CNC2 P45912 [0,0,0,2,0,0|2,0,0]=4 364 B10R2.42 O=C1OC(=O)C2CCC12 H-8771 [0,0,0,2,0,0|1,0,1]=4 365 B10R2.190 O=C1NCCC12CCC2 Q54123 [0,0,0,2,0,0|1,0,0]=3 366 B10R2.190 O=C1NCCC12CNC2 L14483 [0,0,0,2,0,0|2,0,0]=4 367 B10R2.190 O=C1NCCC12CNC2 L14515 [0,0,0,2,0,0|2,0,0]=4 368 B10R2.190 O=C1NCCC12COC2 Q54770 [0,0,0,2,0,0|2,0,0]=4 369 B10R2.177 CC12CC(=O)CCC1C2 Q57147 [0,0,0,2,0,0|1,0,0]=3 370 B10R2.179 CC12CCCC(=O)C1C2 Q52396 [0,0,0,2,0,0|1,0,0]=3 371 B10R2.659 CCOC(=O)C12CC1C2 Q54348 [0,0,0,2,0,0|0,0,0]=2 372 B10R2.485 O=C(CC1CC1)C2CC2 L14117 [0,0,0,2,0,0|1,0,0]=3