0 B6R0.1 C#CC(O)CCC P42817 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.1 CCC(S)CCO O29430 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.1 CCC[C@@H](N)CO P35977 [0,0,0,0,0,0|1,0,2]=3 3 B6R0.1 CCC[C@H](N)CO P39535 [0,0,0,0,0,0|1,0,2]=3 4 B6R0.1 CCN(C)CCO Q66070 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.1 C=C(C)CON P51484 [1,0,0,0,0,0|2,0,1]=4 6 B5R0.1 CC(N)CCO P39048 [1,0,0,0,0,0|2,0,0]=3 7 B5R0.1 CC(O)CCN M22972 [1,0,0,0,0,0|1,0,1]=3 8 B5R0.1 CC(O)CON M15150 [1,0,0,0,0,0|2,0,1]=4 9 B5R0.1 CCC[C@H](C)N I-9318 [1,0,0,0,0,0|1,0,0]=2 10 B5R0.1 CNCC(C)O P40721 [1,0,0,0,0,0|1,0,1]=3 11 B5R0.1 CNCC(F)F P41399 [1,0,0,0,0,0|3,0,0]=4 12 B5R0.1 CNC[C@@H](C)O P41738 [1,0,0,0,0,0|1,0,1]=3 13 B5R0.1 CNC[C@H](C)O P36531 [1,0,0,0,0,0|1,0,1]=3 14 B5R0.1 COCC(C)Br O32164 [1,0,0,0,0,0|2,0,0]=3 15 B5R0.1 C[C@@H](N)CCO F-4752 [1,0,0,0,0,0|2,0,0]=3 16 B5R0.1 C[C@H](N)CC#N Q66038 [1,0,0,0,0,0|2,0,1]=4 17 B5R0.1 C[C@H](N)CCO F-4570 [1,0,0,0,0,0|2,0,0]=3 18 B5R0.1 O=C(O)CCF A-698 [1,0,0,0,0,0|2,0,1]=4 19 B5R0.1 OCCC(F)F P45589 [1,0,0,0,0,0|3,0,0]=4 20 B5R0.2 C#CCCCI P39399 [1,0,0,0,0,0|2,0,1]=4 21 B5R0.2 C#CCCCO P37563 [1,0,0,0,0,0|2,0,1]=4 22 B5R0.2 C#CCCNC L20446 [1,0,0,0,0,0|2,0,1]=4 23 B5R0.2 C#CCNCC P37598 [1,0,0,0,0,0|2,0,1]=4 24 B5R0.2 C#CCOCC O29883 [1,0,0,0,0,0|2,0,1]=4 25 B5R0.2 CCNCCCl L21040 [1,0,0,0,0,0|2,0,1]=4 26 B5R0.2 CNCCSC M23087 [1,0,0,0,0,0|3,0,0]=4 27 B5R0.2 CSCCCN P39434 [1,0,0,0,0,0|2,0,1]=4 28 B5R0.2 NCCCCS L19142 [1,0,0,0,0,0|1,1,1]=4 29 B5R0.3 C#CC(O)CC P38163 [1,0,0,0,0,0|2,0,1]=4 30 B5R0.3 C=CC(C)ON P51545 [1,0,0,0,0,0|3,0,0]=4 31 B5R0.3 CC(CBr)CBr O34172 [1,0,0,0,0,0|2,0,1]=4 32 B5R0.3 CC(CN)CO O30604 [1,0,0,0,0,0|1,0,2]=4 33 B5R0.3 CCC(C)NN O30637 [1,0,0,0,0,0|2,0,0]=3 34 B5R0.3 CNC(C)CO M23268 [1,0,0,0,0,0|1,0,2]=4 35 B5R0.3 CN[C@@H](C)CO P38191 [1,0,0,0,0,0|1,0,2]=4 36 B5R0.3 CN[C@H](C)CO P41018 [1,0,0,0,0,0|1,0,2]=4 37 B5R0.3 COC(C)CN P36510 [1,0,0,0,0,0|2,0,1]=4 38 B7R0.2 C=CC(=O)CC(C)C L19279 [0,1,0,0,0,0|2,0,1]=4 39 B7R0.3 CCCC[C@@H](N)CO P35979 [0,1,0,0,0,0|1,0,2]=4 40 B7R0.3 CCCC[C@H](N)CO P35978 [0,1,0,0,0,0|1,0,2]=4 41 B7R0.3 CCOCC(O)CN L19068 [0,1,0,0,0,0|2,0,1]=4 42 B7R0.3 CSCCC(N)CO P37819 [0,1,0,0,0,0|1,0,2]=4 43 B7R0.5 C#CCC(N)C(=O)O P37796 [0,1,0,0,0,0|1,0,2]=4 44 B7R0.5 C#CCN(C)C(C)=O P40328 [0,1,0,0,0,0|1,0,2]=4 45 B7R0.5 C#CC[C@@H](N)C(=O)O P39505 [0,1,0,0,0,0|1,0,2]=4 46 B7R0.5 C#CC[C@H](N)C(=O)O P39506 [0,1,0,0,0,0|1,0,2]=4 47 B7R0.5 C=CC[C@@H](N)C(=O)O P37509 [0,1,0,0,0,0|1,0,2]=4 48 B7R0.5 C=CC[C@H](N)C(=O)O O28653 [0,1,0,0,0,0|1,0,2]=4 49 B7R0.5 C=CC[C@H](N)C(=O)O P40769 [0,1,0,0,0,0|1,0,2]=4 50 B7R0.5 CC(=O)N(C)CCN P35211 [0,1,0,0,0,0|2,0,0]=3 51 B7R0.5 CCCC(C)C(C)N L19280 [0,1,0,0,0,0|1,0,1]=3 52 B7R0.5 CCC[C@H](O)C(=O)O P51274 [0,1,0,0,0,0|1,0,0]=2 53 B7R0.5 CCNC(C)C(=O)O P36832 [0,1,0,0,0,0|1,0,0]=2 54 B7R0.5 CCN[C@@H](C)C(=O)O P36816 [0,1,0,0,0,0|1,0,0]=2 55 B7R0.5 CCN[C@H](C)C(=O)O P35138 [0,1,0,0,0,0|1,0,0]=2 56 B7R0.5 CCOC(=O)C(=O)O P37044 [0,1,0,0,0,0|2,0,1]=4 57 B7R0.5 COC[C@@H](N)C(=O)O P35719 [0,1,0,0,0,0|2,0,0]=3 58 B7R0.5 COC[C@H](N)C(=O)O P38808 [0,1,0,0,0,0|2,0,0]=3 59 B7R0.5 N[C@@H](CCBr)C(=O)O P41033 [0,1,0,0,0,0|2,0,0]=3 60 B7R0.5 N[C@@H](CCS)C(=O)O A-694 [0,1,0,0,0,0|2,0,0]=3 61 B7R0.7 CCCN(C)CCO Q66069 [0,1,0,0,0,0|1,0,2]=4 62 B7R0.7 COCC(C)N=C=O L20863 [0,1,0,0,0,0|1,0,1]=3 63 B7R0.11 CNCC(C)(C)CO P40852 [0,1,0,0,0,0|1,0,2]=4 64 B7R0.11 COCC(C)(C)CN P36170 [0,1,0,0,0,0|2,0,1]=4 65 B7R0.11 COCC(C)(C)CO O31179 [0,1,0,0,0,0|1,0,2]=4 66 B7R0.11 CSCC(C)(N)C#N L20411 [0,1,0,0,0,0|2,0,1]=4 67 B7R1.1 BrCC1CCOC1 C-3388 [0,0,0,1,0,0|2,0,1]=4 68 B7R1.1 C#CC1CCCN1 L14925 [0,0,0,1,0,0|2,0,1]=4 69 B7R1.1 C#CC1CCCN1 Q55558 [0,0,0,1,0,0|2,0,1]=4 70 B7R1.1 C#CC1CCNC1 Q55467 [0,0,0,1,0,0|2,0,1]=4 71 B7R1.1 C#CC1CCNC1 Q55468 [0,0,0,1,0,0|2,0,1]=4 72 B7R1.1 C#CC1CCOC1 G-7177 [0,0,0,1,0,0|2,0,1]=4 73 B7R1.1 C#C[C@@H]1CCCN1 Q55560 [0,0,0,1,0,0|2,0,1]=4 74 B7R1.1 C#C[C@H]1CCCN1 Q55559 [0,0,0,1,0,0|2,0,1]=4 75 B7R1.1 CC[C@@H]1CCNC1 L14526 [0,0,0,1,0,0|2,0,1]=4 76 B7R1.1 CC[C@H]1CCNC1 L14527 [0,0,0,1,0,0|2,0,1]=4 77 B7R1.1 CNC1CCCC1 P36274 [0,0,0,1,0,0|2,0,0]=3 78 B7R1.1 CNC1CCNC1 P41664 [0,0,0,1,0,0|3,0,0]=4 79 B7R1.1 CNC1CCOC1 I-9659 [0,0,0,1,0,0|3,0,0]=4 80 B7R1.1 CN[C@@H]1CCNC1 P41422 [0,0,0,1,0,0|3,0,0]=4 81 B7R1.1 CN[C@@H]1CCOC1 L13930 [0,0,0,1,0,0|3,0,0]=4 82 B7R1.1 CN[C@H]1CCNC1 P41423 [0,0,0,1,0,0|3,0,0]=4 83 B7R1.1 CN[C@H]1CCOC1 L13929 [0,0,0,1,0,0|3,0,0]=4 84 B7R1.1 COC1CCNC1 C-2248 [0,0,0,1,0,0|3,0,0]=4 85 B7R1.1 CO[C@@H]1CCNC1 C-2249 [0,0,0,1,0,0|3,0,0]=4 86 B7R1.1 CO[C@H]1CCNC1 C-2250 [0,0,0,1,0,0|3,0,0]=4 87 B7R1.1 CSC1CCNC1 L20011 [0,0,0,1,0,0|3,0,0]=4 88 B7R1.1 CS[C@@H]1CCNC1 Q52106 [0,0,0,1,0,0|3,0,0]=4 89 B7R1.1 CS[C@H]1CCNC1 Q52105 [0,0,0,1,0,0|3,0,0]=4 90 B7R1.1 FCC1CCCN1 Q52409 [0,0,0,1,0,0|2,0,1]=4 91 B7R1.1 FCC1CCNC1 L20341 [0,0,0,1,0,0|2,0,1]=4 92 B7R1.1 FC[C@@H]1CCCN1 G-5688 [0,0,0,1,0,0|2,0,1]=4 93 B7R1.1 FC[C@@H]1CCCN1 Q61799 [0,0,0,1,0,0|2,0,1]=4 94 B7R1.1 FC[C@@H]1CCNC1 P48130 [0,0,0,1,0,0|2,0,1]=4 95 B7R1.1 FC[C@@H]1CCNC1 Q61807 [0,0,0,1,0,0|2,0,1]=4 96 B7R1.1 FC[C@H]1CCCN1 I-9901 [0,0,0,1,0,0|2,0,1]=4 97 B7R1.1 FC[C@H]1CCCN1 Q51944 [0,0,0,1,0,0|2,0,1]=4 98 B7R1.1 FC[C@H]1CCNC1 P50376 [0,0,0,1,0,0|2,0,1]=4 99 B7R1.1 FC[C@H]1CCNC1 Q61806 [0,0,0,1,0,0|2,0,1]=4 100 B7R1.1 ICC1CCCC1 P39098 [0,0,0,1,0,0|1,0,1]=3 101 B7R1.1 ICC1CCOC1 I-9304 [0,0,0,1,0,0|2,0,1]=4 102 B7R1.1 N#CC1CCCN1 G-6826 [0,0,0,1,0,0|2,0,1]=4 103 B7R1.1 N#CC1CCCN1 Q51936 [0,0,0,1,0,0|2,0,1]=4 104 B7R1.1 N#CC1CCNC1 L13633 [0,0,0,1,0,0|2,0,1]=4 105 B7R1.1 N#CC1CCNC1 M23796 [0,0,0,1,0,0|2,0,1]=4 106 B7R1.1 N#CC1CCOC1 I-9148 [0,0,0,1,0,0|2,0,1]=4 107 B7R1.1 N#C[C@@H]1CCCN1 A-367 [0,0,0,1,0,0|2,0,1]=4 108 B7R1.1 N#C[C@@H]1CCCN1 G-5682 [0,0,0,1,0,0|2,0,1]=4 109 B7R1.1 N#C[C@@H]1CCNC1 C-2960 [0,0,0,1,0,0|2,0,1]=4 110 B7R1.1 N#C[C@@H]1CCOC1 G-6696 [0,0,0,1,0,0|2,0,1]=4 111 B7R1.1 N#C[C@H]1CCCN1 G-5683 [0,0,0,1,0,0|2,0,1]=4 112 B7R1.1 N#C[C@H]1CCCN1 O28475 [0,0,0,1,0,0|2,0,1]=4 113 B7R1.1 N#C[C@H]1CCNC1 C-2961 [0,0,0,1,0,0|2,0,1]=4 114 B7R1.1 N#C[C@H]1CCOC1 I-9839 [0,0,0,1,0,0|2,0,1]=4 115 B7R1.1 NCC1CCCC1 F-4714 [0,0,0,1,0,0|1,0,1]=3 116 B7R1.1 NCC1CCCC1 L14012 [0,0,0,1,0,0|1,0,1]=3 117 B7R1.1 NCC1CCCN1 P37060 [0,0,0,1,0,0|2,0,1]=4 118 B7R1.1 NCC1CCOC1 C-3659 [0,0,0,1,0,0|2,0,1]=4 119 B7R1.1 NCC1CCOC1 G-6767 [0,0,0,1,0,0|2,0,1]=4 120 B7R1.1 NC[C@@H]1CCCN1 G-5891 [0,0,0,1,0,0|2,0,1]=4 121 B7R1.1 NC[C@@H]1CCOC1 C-2790 [0,0,0,1,0,0|2,0,1]=4 122 B7R1.1 NC[C@@H]1CCOC1 G-5015 [0,0,0,1,0,0|2,0,1]=4 123 B7R1.1 NC[C@H]1CCCN1 P42386 [0,0,0,1,0,0|2,0,1]=4 124 B7R1.1 NC[C@H]1CCNC1 Q55433 [0,0,0,1,0,0|2,0,1]=4 125 B7R1.1 NC[C@H]1CCOC1 C-2789 [0,0,0,1,0,0|2,0,1]=4 126 B7R1.1 NC[C@H]1CCOC1 G-5014 [0,0,0,1,0,0|2,0,1]=4 127 B7R1.1 NNC1CCCC1 O31761 [0,0,0,1,0,0|2,0,0]=3 128 B7R1.1 NNC1CCNC1 O29712 [0,0,0,1,0,0|3,0,0]=4 129 B7R1.1 O=CC1=CCCC1 O33977 [0,0,0,1,0,0|0,0,2]=3 130 B7R1.1 O=CC1=CCCO1 O29864 [0,0,0,1,0,0|1,0,2]=4 131 B7R1.1 OCC1CCNC1 C-2924 [0,0,0,1,0,0|1,0,2]=4 132 B7R1.1 OCC1CCNC1 L13610 [0,0,0,1,0,0|1,0,2]=4 133 B7R1.1 OCC1CCOC1 C-3387 [0,0,0,1,0,0|1,0,2]=4 134 B7R1.1 OC[C@@H]1CCCO1 O32723 [0,0,0,1,0,0|1,0,2]=4 135 B7R1.1 OC[C@@H]1CCNC1 G-6083 [0,0,0,1,0,0|1,0,2]=4 136 B7R1.1 OC[C@@H]1CCNC1 L13662 [0,0,0,1,0,0|1,0,2]=4 137 B7R1.1 OC[C@@H]1CCOC1 C-2787 [0,0,0,1,0,0|1,0,2]=4 138 B7R1.1 OC[C@H]1CCNC1 G-6082 [0,0,0,1,0,0|1,0,2]=4 139 B7R1.1 OC[C@H]1CCNC1 L14041 [0,0,0,1,0,0|1,0,2]=4 140 B7R1.1 OC[C@H]1CCOC1 C-2788 [0,0,0,1,0,0|1,0,2]=4 141 B7R1.2 CC1CC(O)CN1 Q59204 [0,0,0,1,0,0|2,0,1]=4 142 B7R1.2 CC1CC(O)CN1 Q59205 [0,0,0,1,0,0|2,0,1]=4 143 B7R1.2 CC1CCC(N)C1 Q56970 [0,0,0,1,0,0|2,0,1]=4 144 B7R1.2 C[C@@H]1CC[C@@H](C)N1 O32970 [0,0,0,1,0,0|2,0,1]=4 145 B7R1.2 C[C@@H]1CC[C@@H](C)N1 Q61707 [0,0,0,1,0,0|2,0,1]=4 146 B7R1.2 C[C@@H]1CC[C@@H](C)N1 Q61742 [0,0,0,1,0,0|2,0,1]=4 147 B7R1.2 C[C@@H]1CN[C@@H](C)C1 Q61627 [0,0,0,1,0,0|1,0,1]=3 148 B7R1.2 C[C@@H]1C[C@@H](O)CN1 Q56025 [0,0,0,1,0,0|2,0,1]=4 149 B7R1.2 C[C@@H]1C[C@H](F)CN1 Q54433 [0,0,0,1,0,0|2,0,1]=4 150 B7R1.2 C[C@@H]1C[C@H](O)CN1 L14502 [0,0,0,1,0,0|2,0,1]=4 151 B7R1.2 C[C@H]1CC[C@@H](C)N1 O32965 [0,0,0,1,0,0|2,0,1]=4 152 B7R1.2 C[C@H]1CC[C@@H](C)N1 Q61708 [0,0,0,1,0,0|2,0,1]=4 153 B7R1.2 C[C@H]1C[C@@H](O)CN1 Q56026 [0,0,0,1,0,0|2,0,1]=4 154 B7R1.2 C[C@H]1C[C@H](O)CN1 L13861 [0,0,0,1,0,0|2,0,1]=4 155 B7R1.2 NC1C=CC(F)C1 Q54397 [0,0,0,1,0,0|3,0,0]=4 156 B7R1.2 O[C@@H]1C=C[C@@H](F)C1 Q63540 [0,0,0,1,0,0|3,0,0]=4 157 B7R1.2 O[C@@H]1C=C[C@H](F)C1 Q63539 [0,0,0,1,0,0|3,0,0]=4 158 B7R1.2 O[C@@H]1C=C[C@H](O)C1 Q54369 [0,0,0,1,0,0|3,0,0]=4 159 B7R1.2 O[C@H]1C=C[C@@H](F)C1 Q63538 [0,0,0,1,0,0|3,0,0]=4 160 B7R1.2 O[C@H]1C=C[C@H](F)C1 Q63541 [0,0,0,1,0,0|3,0,0]=4 161 B7R1.3 BrC1=CCCCC1 N24288 [0,0,0,1,0,0|2,0,1]=4 162 B7R1.3 BrC1C=CCCC1 P44668 [0,0,0,1,0,0|2,0,0]=3 163 B7R1.3 BrC1CCCNC1 H-8368 [0,0,0,1,0,0|2,0,1]=4 164 B7R1.3 BrC1CCCOC1 O33555 [0,0,0,1,0,0|1,0,2]=4 165 B7R1.3 CC1=CCCNC1 I-9121 [0,0,0,1,0,0|2,0,1]=4 166 B7R1.3 CC1=CCNCC1 I-9119 [0,0,0,1,0,0|2,0,1]=4 167 B7R1.3 CC1CNCCO1 B-1061 [0,0,0,1,0,0|2,0,1]=4 168 B7R1.3 CC1CNCCO1 B-1061-1 [0,0,0,1,0,0|2,0,1]=4 169 B7R1.3 CC1COCCN1 B-1060 [0,0,0,1,0,0|1,0,2]=4 170 B7R1.3 CC1COCCN1 O28936 [0,0,0,1,0,0|1,0,2]=4 171 B7R1.3 C[C@@H]1CCCCN1 P40572 [0,0,0,1,0,0|2,0,0]=3 172 B7R1.3 C[C@@H]1CCCNC1 Q55825 [0,0,0,1,0,0|1,0,1]=3 173 B7R1.3 C[C@@H]1CNCCO1 B-1063 [0,0,0,1,0,0|2,0,1]=4 174 B7R1.3 C[C@@H]1CNCCO1 B-1063-1 [0,0,0,1,0,0|2,0,1]=4 175 B7R1.3 C[C@@H]1COCCN1 B-1058 [0,0,0,1,0,0|1,0,2]=4 176 B7R1.3 C[C@@H]1COCCN1 P34848 [0,0,0,1,0,0|1,0,2]=4 177 B7R1.3 C[C@H]1CCCCN1 P38855 [0,0,0,1,0,0|2,0,0]=3 178 B7R1.3 C[C@H]1CCCCN1 Q54716 [0,0,0,1,0,0|2,0,0]=3 179 B7R1.3 C[C@H]1CCCNC1 Q55824 [0,0,0,1,0,0|1,0,1]=3 180 B7R1.3 C[C@H]1CNCCO1 B-1062 [0,0,0,1,0,0|2,0,1]=4 181 B7R1.3 C[C@H]1CNCCO1 B-1062-1 [0,0,0,1,0,0|2,0,1]=4 182 B7R1.3 C[C@H]1COCCN1 B-1059 [0,0,0,1,0,0|1,0,2]=4 183 B7R1.3 C[C@H]1COCCN1 P42980 [0,0,0,1,0,0|1,0,2]=4 184 B7R1.3 ClC1CCCOC1 Q57646 [0,0,0,1,0,0|1,0,2]=4 185 B7R1.3 FC1CCCNC1 C-2254 [0,0,0,1,0,0|2,0,1]=4 186 B7R1.3 F[C@@H]1CCCNC1 G-5231 [0,0,0,1,0,0|2,0,1]=4 187 B7R1.3 F[C@H]1CCCNC1 C-2765 [0,0,0,1,0,0|2,0,1]=4 188 B7R1.3 NC1CCCOC1 I-9177 [0,0,0,1,0,0|1,0,2]=4 189 B7R1.3 NC1CCCOC1 Q56350 [0,0,0,1,0,0|1,0,2]=4 190 B7R1.3 N[C@@H]1CCCNC1 I-9160 [0,0,0,1,0,0|2,0,1]=4 191 B7R1.3 N[C@@H]1CCCOC1 I-9746 [0,0,0,1,0,0|1,0,2]=4 192 B7R1.3 OC1C=CCOC1 Q63933 [0,0,0,1,0,0|3,0,0]=4 193 B7R1.3 OC1CCCOC1 G-6220 [0,0,0,1,0,0|1,0,2]=4 194 B7R1.3 O[C@@H]1C=CCOC1 Q63935 [0,0,0,1,0,0|3,0,0]=4 195 B7R1.3 O[C@@H]1CCCNC1 K12060 [0,0,0,1,0,0|2,0,1]=4 196 B7R1.3 O[C@@H]1CCCOC1 P44487 [0,0,0,1,0,0|1,0,2]=4 197 B7R1.3 O[C@H]1C=CCOC1 Q63934 [0,0,0,1,0,0|3,0,0]=4 198 B7R1.3 O[C@H]1CCCNC1 K12075 [0,0,0,1,0,0|2,0,1]=4 199 B7R1.3 O[C@H]1CCCNC1 L13549 [0,0,0,1,0,0|2,0,1]=4 200 B7R1.3 O[C@H]1CCCOC1 P51230 [0,0,0,1,0,0|1,0,2]=4 201 B7R1.3 SC1CCCNC1 L21541 [0,0,0,1,0,0|2,0,1]=4 202 B7R1.3 SC1CCCOC1 Q57701 [0,0,0,1,0,0|1,0,2]=4 203 B7R1.4 CC1CCNC1=O O30375 [0,0,0,1,0,0|1,0,0]=2 204 B7R1.4 CC1CCNC1C Q61659 [0,0,0,1,0,0|2,0,1]=4 205 B7R1.4 CC1CNCC1C O33388 [0,0,0,1,0,0|2,0,1]=4 206 B7R1.4 CC1CNCC1F Q54416 [0,0,0,1,0,0|2,0,1]=4 207 B7R1.4 CC1CNCC1O Q59312 [0,0,0,1,0,0|1,0,2]=4 208 B7R1.4 CN1CCCC1=N Q59266 [0,0,0,1,0,0|2,0,0]=3 209 B7R1.4 CN1CCNC1=S O29860 [0,0,0,1,0,0|2,1,0]=4 210 B7R1.4 C[C@@H]1CCC[C@@H]1N Q53279 [0,0,0,1,0,0|1,0,1]=3 211 B7R1.4 C[C@@H]1CCC[C@@H]1N Q53280 [0,0,0,1,0,0|1,0,1]=3 212 B7R1.4 C[C@@H]1CCNC1=O Q61716 [0,0,0,1,0,0|1,0,0]=2 213 B7R1.4 C[C@@H]1CNC[C@@H]1F Q56053 [0,0,0,1,0,0|2,0,1]=4 214 B7R1.4 C[C@@H]1CNC[C@@H]1F Q56054 [0,0,0,1,0,0|2,0,1]=4 215 B7R1.4 C[C@@H]1CNC[C@@H]1N Q61701 [0,0,0,1,0,0|2,0,1]=4 216 B7R1.4 C[C@@H]1CNC[C@@H]1N Q61702 [0,0,0,1,0,0|2,0,1]=4 217 B7R1.4 C[C@@H]1CNC[C@@H]1O L22286 [0,0,0,1,0,0|1,0,2]=4 218 B7R1.4 C[C@@H]1CNC[C@@H]1O Q55495 [0,0,0,1,0,0|1,0,2]=4 219 B7R1.4 C[C@@H]1CNC[C@H]1O L22285 [0,0,0,1,0,0|1,0,2]=4 220 B7R1.4 C[C@@H]1CNC[C@H]1O Q55494 [0,0,0,1,0,0|1,0,2]=4 221 B7R1.4 C[C@@H]1COC[C@H]1N F-4262 [0,0,0,1,0,0|2,0,1]=4 222 B7R1.4 C[C@@H]1NCC[C@@H]1O Q64145 [0,0,0,1,0,0|1,0,2]=4 223 B7R1.4 C[C@@H]1NCC[C@H]1O Q64143 [0,0,0,1,0,0|1,0,2]=4 224 B7R1.4 C[C@H]1CCC[C@@H]1N Q53277 [0,0,0,1,0,0|1,0,1]=3 225 B7R1.4 C[C@H]1CCC[C@@H]1N Q53278 [0,0,0,1,0,0|1,0,1]=3 226 B7R1.4 C[C@H]1CCNC1=O Q61658 [0,0,0,1,0,0|1,0,0]=2 227 B7R1.4 C[C@H]1COC[C@@H]1N L13875 [0,0,0,1,0,0|2,0,1]=4 228 B7R1.4 C[C@H]1NCC[C@@H]1O Q64142 [0,0,0,1,0,0|1,0,2]=4 229 B7R1.4 C[C@H]1NCC[C@H]1O Q64144 [0,0,0,1,0,0|1,0,2]=4 230 B7R1.4 NC1CCCC1Cl Q54474 [0,0,0,1,0,0|2,0,1]=4 231 B7R1.4 NC1CCCC1F Q54472 [0,0,0,1,0,0|2,0,1]=4 232 B7R1.4 NC1CCCC1F Q54473 [0,0,0,1,0,0|2,0,1]=4 233 B7R1.4 NC1CCCC1O F-4442 [0,0,0,1,0,0|1,0,2]=4 234 B7R1.4 NC1CCNC1=O F-4440 [0,0,0,1,0,0|2,0,0]=3 235 B7R1.4 NN1CCCC1=O P51102 [0,0,0,1,0,0|2,0,0]=3 236 B7R1.4 N[C@@H]1CCC[C@@H]1F Q61724 [0,0,0,1,0,0|2,0,1]=4 237 B7R1.4 N[C@@H]1CCC[C@@H]1F Q61725 [0,0,0,1,0,0|2,0,1]=4 238 B7R1.4 N[C@@H]1CCC[C@@H]1O F-4443 [0,0,0,1,0,0|1,0,2]=4 239 B7R1.4 N[C@@H]1CCC[C@@H]1O F-4445 [0,0,0,1,0,0|1,0,2]=4 240 B7R1.4 N[C@@H]1CCC[C@H]1F O32983 [0,0,0,1,0,0|2,0,1]=4 241 B7R1.4 N[C@@H]1CCC[C@H]1F Q61721 [0,0,0,1,0,0|2,0,1]=4 242 B7R1.4 N[C@@H]1CCC[C@H]1F Q61728 [0,0,0,1,0,0|2,0,1]=4 243 B7R1.4 N[C@@H]1CCC[C@H]1N L21303 [0,0,0,1,0,0|2,0,1]=4 244 B7R1.4 N[C@@H]1CCC[C@H]1N Q61965 [0,0,0,1,0,0|2,0,1]=4 245 B7R1.4 N[C@@H]1CCC[C@H]1O F-4450 [0,0,0,1,0,0|1,0,2]=4 246 B7R1.4 N[C@@H]1CCC[C@H]1O I-9382 [0,0,0,1,0,0|1,0,2]=4 247 B7R1.4 N[C@@H]1CCNC1=O F-4458 [0,0,0,1,0,0|2,0,0]=3 248 B7R1.4 N[C@H]1CCC[C@@H]1F Q61723 [0,0,0,1,0,0|2,0,1]=4 249 B7R1.4 N[C@H]1CCC[C@@H]1O F-4444 [0,0,0,1,0,0|1,0,2]=4 250 B7R1.4 N[C@H]1CCC[C@@H]1O F-4447 [0,0,0,1,0,0|1,0,2]=4 251 B7R1.4 N[C@H]1CCC[C@@H]1O F-4448 [0,0,0,1,0,0|1,0,2]=4 252 B7R1.4 N[C@H]1CCC[C@H]1F Q61722 [0,0,0,1,0,0|2,0,1]=4 253 B7R1.4 N[C@H]1CCC[C@H]1F Q61726 [0,0,0,1,0,0|2,0,1]=4 254 B7R1.4 N[C@H]1CCC[C@H]1F Q61727 [0,0,0,1,0,0|2,0,1]=4 255 B7R1.4 N[C@H]1CCC[C@H]1N O33475 [0,0,0,1,0,0|2,0,1]=4 256 B7R1.4 N[C@H]1CCC[C@H]1O F-4446 [0,0,0,1,0,0|1,0,2]=4 257 B7R1.4 N[C@H]1CCC[C@H]1O F-4449 [0,0,0,1,0,0|1,0,2]=4 258 B7R1.4 N[C@H]1CCC[C@H]1O Q52258 [0,0,0,1,0,0|1,0,2]=4 259 B7R1.4 N[C@H]1CCNC1=O F-4459 [0,0,0,1,0,0|2,0,0]=3 260 B7R1.4 N[C@H]1CCNC1=O L14236 [0,0,0,1,0,0|2,0,0]=3 261 B7R1.4 O=C1CCC=C1O A-670 [0,0,0,1,0,0|1,0,2]=4 262 B7R1.4 O=C1CCCC1=O L19145 [0,0,0,1,0,0|1,0,1]=3 263 B7R1.4 O=C1CCCC1O Q61720 [0,0,0,1,0,0|1,0,0]=2 264 B7R1.4 O=C1CCNC1=O Q62042 [0,0,0,1,0,0|2,0,1]=4 265 B7R1.4 O=C1NCCC1Br O31241 [0,0,0,1,0,0|2,0,0]=3 266 B7R1.4 O=C1NCCC1F Q62170 [0,0,0,1,0,0|2,0,0]=3 267 B7R1.4 O=C1NCCC1O D-2532 [0,0,0,1,0,0|2,0,0]=3 268 B7R1.4 O=C1NCC[C@@H]1F Q63592 [0,0,0,1,0,0|2,0,0]=3 269 B7R1.4 O=C1NCC[C@@H]1O F-4184 [0,0,0,1,0,0|2,0,0]=3 270 B7R1.4 O=C1NCC[C@H]1F Q63593 [0,0,0,1,0,0|2,0,0]=3 271 B7R1.4 O=C1NCC[C@H]1O O30124 [0,0,0,1,0,0|2,0,0]=3 272 B7R1.4 OC1CCC=C1Br O29401 [0,0,0,1,0,0|2,0,1]=4 273 B7R1.4 OC1CCCC1F L19027 [0,0,0,1,0,0|1,0,2]=4 274 B7R1.4 O[C@@H]1CCC[C@H]1F Q62078 [0,0,0,1,0,0|1,0,2]=4 275 B7R1.4 O[C@H]1CCC[C@@H]1O Q61543 [0,0,0,1,0,0|1,0,2]=4 276 B7R1.6 BrCCC1CCO1 Q56185 [0,0,0,1,0,0|3,0,0]=4 277 B7R1.6 BrCCC1COC1 Q62635 [0,0,0,1,0,0|1,0,2]=4 278 B7R1.6 CCCC1CNC1 P43152 [0,0,0,1,0,0|1,0,1]=3 279 B7R1.6 CCCC1CNC1 P44924 [0,0,0,1,0,0|1,0,1]=3 280 B7R1.6 CCNC1CCC1 P34707 [0,0,0,1,0,0|2,0,1]=4 281 B7R1.6 CCNC1CCC1 P45089 [0,0,0,1,0,0|2,0,1]=4 282 B7R1.6 CCNC1CNC1 M22745 [0,0,0,1,0,0|2,0,1]=4 283 B7R1.6 CCNC1CNC1 P45767 [0,0,0,1,0,0|2,0,1]=4 284 B7R1.6 CCNC1COC1 G-6617 [0,0,0,1,0,0|1,0,2]=4 285 B7R1.6 CCOC1CNC1 O28975 [0,0,0,1,0,0|2,0,1]=4 286 B7R1.6 CCOC1CNC1 P44497 [0,0,0,1,0,0|2,0,1]=4 287 B7R1.6 CCSC1CNC1 P46826 [0,0,0,1,0,0|2,0,1]=4 288 B7R1.6 CCSC1CNC1 P48713 [0,0,0,1,0,0|2,0,1]=4 289 B7R1.6 CNCC1CCC1 P42057 [0,0,0,1,0,0|2,0,1]=4 290 B7R1.6 CNCC1CCC1 P44415 [0,0,0,1,0,0|2,0,1]=4 291 B7R1.6 CNCC1CCO1 Q55851 [0,0,0,1,0,0|3,0,0]=4 292 B7R1.6 CNCC1CNC1 P43156 [0,0,0,1,0,0|2,0,1]=4 293 B7R1.6 CNCC1CNC1 P44879 [0,0,0,1,0,0|2,0,1]=4 294 B7R1.6 CNCC1COC1 G-7362 [0,0,0,1,0,0|1,0,2]=4 295 B7R1.6 COCC1CCN1 I-9954 [0,0,0,1,0,0|3,0,0]=4 296 B7R1.6 COCC1CCN1 Q56488 [0,0,0,1,0,0|3,0,0]=4 297 B7R1.6 COCC1CCN1 Q56489 [0,0,0,1,0,0|3,0,0]=4 298 B7R1.6 COCC1CNC1 C-2240 [0,0,0,1,0,0|2,0,1]=4 299 B7R1.6 COCC1CNC1 L13685 [0,0,0,1,0,0|2,0,1]=4 300 B7R1.6 COC[C@@H]1CCN1 G-6501 [0,0,0,1,0,0|3,0,0]=4 301 B7R1.6 COC[C@@H]1CCN1 L13813 [0,0,0,1,0,0|3,0,0]=4 302 B7R1.6 COC[C@H]1CCN1 G-7976 [0,0,0,1,0,0|3,0,0]=4 303 B7R1.6 FCCC1CNC1 P50454 [0,0,0,1,0,0|2,0,1]=4 304 B7R1.6 ICCC1CCO1 Q56184 [0,0,0,1,0,0|3,0,0]=4 305 B7R1.6 ICCC1COC1 Q62634 [0,0,0,1,0,0|1,0,2]=4 306 B7R1.6 NCCC1CCC1 L18182 [0,0,0,1,0,0|2,0,1]=4 307 B7R1.6 NCCC1CCC1 P48448 [0,0,0,1,0,0|2,0,1]=4 308 B7R1.6 NCCC1CCO1 O32973 [0,0,0,1,0,0|3,0,0]=4 309 B7R1.6 NCCC1CNC1 P48388 [0,0,0,1,0,0|2,0,1]=4 310 B7R1.6 NCCC1COC1 P49100 [0,0,0,1,0,0|1,0,2]=4 311 B7R1.6 NCCC1CSC1 Q58816 [0,0,0,1,0,0|1,1,1]=4 312 B7R1.6 NCC[C@@H]1CCO1 Q56188 [0,0,0,1,0,0|3,0,0]=4 313 B7R1.6 NCC[C@H]1CCO1 Q56187 [0,0,0,1,0,0|3,0,0]=4 314 B7R1.6 OCCC1CCC1 P34706 [0,0,0,1,0,0|2,0,1]=4 315 B7R1.6 OCCC1CCO1 F-4763 [0,0,0,1,0,0|3,0,0]=4 316 B7R1.6 OCCC1CNC1 L21357 [0,0,0,1,0,0|2,0,1]=4 317 B7R1.6 OCCC1CNC1 P44027 [0,0,0,1,0,0|2,0,1]=4 318 B7R1.6 OCCC1COC1 G-5285 [0,0,0,1,0,0|1,0,2]=4 319 B7R1.6 OCCC1CSC1 Q58815 [0,0,0,1,0,0|1,1,1]=4 320 B7R1.6 OCC[C@@H]1CCO1 Q56146 [0,0,0,1,0,0|3,0,0]=4 321 B7R1.6 OCC[C@H]1CCO1 Q56145 [0,0,0,1,0,0|3,0,0]=4 322 B7R1.8 CC1CCC1CO P48346 [0,0,0,1,0,0|2,0,1]=4 323 B7R1.8 CC1OCC1CO Q56093 [0,0,0,1,0,0|3,0,0]=4 324 B7R1.9 OC[C@H]1C[C@H]1CO L22279 [0,0,0,1,0,0|1,0,2]=4 325 B7R1.10 C#CC1CC(F)C1 P47347 [0,0,0,1,0,0|2,0,1]=4 326 B7R1.10 C#CC1CN(C)C1 P46438 [0,0,0,1,0,0|2,0,1]=4 327 B7R1.10 C=CC1CC(=O)C1 P45344 [0,0,0,1,0,0|2,0,1]=4 328 B7R1.10 CCC1CC(N)C1 P48761 [0,0,0,1,0,0|2,0,1]=4 329 B7R1.10 CN1CC(CN)C1 I-9961 [0,0,0,1,0,0|2,0,1]=4 330 B7R1.10 CN1CC(CO)C1 L14119 [0,0,0,1,0,0|1,0,2]=4 331 B7R1.10 CN1CC(CO)C1 P45968 [0,0,0,1,0,0|1,0,2]=4 332 B7R1.10 CNC1CC(O)C1 G-5725 [0,0,0,1,0,0|3,0,0]=4 333 B7R1.10 CNC1CC(O)C1 P48534 [0,0,0,1,0,0|3,0,0]=4 334 B7R1.10 CNC1CN(C)C1 G-6504 [0,0,0,1,0,0|3,0,0]=4 335 B7R1.10 CN[C@H]1C[C@@H](O)C1 I-9565 [0,0,0,1,0,0|3,0,0]=4 336 B7R1.10 CN[C@H]1C[C@H](O)C1 G-7351 [0,0,0,1,0,0|3,0,0]=4 337 B7R1.10 CN[C@H]1C[C@H](O)C1 P49935 [0,0,0,1,0,0|3,0,0]=4 338 B7R1.10 COC1CC(Br)C1 P47967 [0,0,0,1,0,0|3,0,0]=4 339 B7R1.10 COC1CC(N)C1 C-3383 [0,0,0,1,0,0|3,0,0]=4 340 B7R1.10 COC1CC(N)C1 G-5007 [0,0,0,1,0,0|3,0,0]=4 341 B7R1.10 COC1CC(O)C1 P48191 [0,0,0,1,0,0|3,0,0]=4 342 B7R1.10 CO[C@H]1C[C@@H](N)C1 C-3621 [0,0,0,1,0,0|3,0,0]=4 343 B7R1.10 CO[C@H]1C[C@@H](N)C1 C-3621-1 [0,0,0,1,0,0|3,0,0]=4 344 B7R1.10 CO[C@H]1C[C@@H](O)C1 P46991 [0,0,0,1,0,0|3,0,0]=4 345 B7R1.10 CO[C@H]1C[C@H](Br)C1 P47002 [0,0,0,1,0,0|3,0,0]=4 346 B7R1.10 CO[C@H]1C[C@H](N)C1 C-3622 [0,0,0,1,0,0|3,0,0]=4 347 B7R1.10 CO[C@H]1C[C@H](N)C1 C-3622-1 [0,0,0,1,0,0|3,0,0]=4 348 B7R1.10 CO[C@H]1C[C@H](O)C1 P46971 [0,0,0,1,0,0|3,0,0]=4 349 B7R1.10 F[C@H]1C[C@@H](CBr)C1 P46113 [0,0,0,1,0,0|2,0,1]=4 350 B7R1.10 F[C@H]1C[C@H](CBr)C1 P47090 [0,0,0,1,0,0|2,0,1]=4 351 B7R1.10 N#CC1CC(Cl)C1 P46430 [0,0,0,1,0,0|2,0,1]=4 352 B7R1.10 N#CC1CC(F)C1 L21384 [0,0,0,1,0,0|2,0,1]=4 353 B7R1.10 N#CC1CC(N)C1 G-6943 [0,0,0,1,0,0|2,0,1]=4 354 B7R1.10 N#CC1CC(O)C1 L13803 [0,0,0,1,0,0|2,0,1]=4 355 B7R1.10 N#C[C@H]1C[C@@H](N)C1 L21346 [0,0,0,1,0,0|2,0,1]=4 356 B7R1.10 N#C[C@H]1C[C@@H](N)C1 P47440 [0,0,0,1,0,0|2,0,1]=4 357 B7R1.10 N#C[C@H]1C[C@@H](O)C1 P44973 [0,0,0,1,0,0|2,0,1]=4 358 B7R1.10 N#C[C@H]1C[C@H](N)C1 P47570 [0,0,0,1,0,0|2,0,1]=4 359 B7R1.10 N#C[C@H]1C[C@H](N)C1 P49402 [0,0,0,1,0,0|2,0,1]=4 360 B7R1.10 N#C[C@H]1C[C@H](O)C1 P44972 [0,0,0,1,0,0|2,0,1]=4 361 B7R1.10 NC1CC(CO)C1 C-3529 [0,0,0,1,0,0|1,0,2]=4 362 B7R1.10 NC1CC(CO)C1 P44453 [0,0,0,1,0,0|1,0,2]=4 363 B7R1.10 NCC1CC(F)C1 G-6332 [0,0,0,1,0,0|2,0,1]=4 364 B7R1.10 NCC1CC(O)C1 G-5291 [0,0,0,1,0,0|2,0,1]=4 365 B7R1.10 NCC1CC(O)C1 P47397 [0,0,0,1,0,0|2,0,1]=4 366 B7R1.10 NC[C@H]1C[C@@H](F)C1 P43938 [0,0,0,1,0,0|2,0,1]=4 367 B7R1.10 NC[C@H]1C[C@@H](O)C1 C-2431 [0,0,0,1,0,0|2,0,1]=4 368 B7R1.10 NC[C@H]1C[C@@H](O)C1 P44178 [0,0,0,1,0,0|2,0,1]=4 369 B7R1.10 NC[C@H]1C[C@H](F)C1 G-7260 [0,0,0,1,0,0|2,0,1]=4 370 B7R1.10 NC[C@H]1C[C@H](O)C1 C-2432 [0,0,0,1,0,0|2,0,1]=4 371 B7R1.10 NC[C@H]1C[C@H](O)C1 C-2432-01 [0,0,0,1,0,0|2,0,1]=4 372 B7R1.10 NN[C@H]1C[C@@H](F)C1 P50331 [0,0,0,1,0,0|3,0,0]=4 373 B7R1.10 NN[C@H]1C[C@@H](O)C1 P50573 [0,0,0,1,0,0|3,0,0]=4 374 B7R1.10 NN[C@H]1C[C@H](F)C1 P50327 [0,0,0,1,0,0|3,0,0]=4 375 B7R1.10 NN[C@H]1C[C@H](O)C1 P50572 [0,0,0,1,0,0|3,0,0]=4 376 B7R1.10 N[C@H]1C[C@@H](CF)C1 P50484 [0,0,0,1,0,0|2,0,1]=4 377 B7R1.10 N[C@H]1C[C@@H](CO)C1 C-3635 [0,0,0,1,0,0|1,0,2]=4 378 B7R1.10 N[C@H]1C[C@@H](CO)C1 P48253 [0,0,0,1,0,0|1,0,2]=4 379 B7R1.10 N[C@H]1C[C@H](CO)C1 C-3636 [0,0,0,1,0,0|1,0,2]=4 380 B7R1.10 N[C@H]1C[C@H](CO)C1 P49246 [0,0,0,1,0,0|1,0,2]=4 381 B7R1.10 O=CC1CC(F)C1 P47244 [0,0,0,1,0,0|1,0,0]=2 382 B7R1.10 OC1CC(CBr)C1 P47356 [0,0,0,1,0,0|2,0,1]=4 383 B7R1.10 OC1CC(CF)C1 P47254 [0,0,0,1,0,0|2,0,1]=4 384 B7R1.10 OCC1CC(Cl)C1 I-9035 [0,0,0,1,0,0|1,0,2]=4 385 B7R1.10 OCC1CC(F)C1 O33399 [0,0,0,1,0,0|1,0,2]=4 386 B7R1.10 OCC1CC(O)C1 P49195 [0,0,0,1,0,0|1,0,2]=4 387 B7R1.10 O[C@H]1C[C@@H](CBr)C1 P46704 [0,0,0,1,0,0|2,0,1]=4 388 B7R1.10 O[C@H]1C[C@@H](CF)C1 P46123 [0,0,0,1,0,0|2,0,1]=4 389 B7R1.10 O[C@H]1C[C@H](CBr)C1 P46014 [0,0,0,1,0,0|2,0,1]=4 390 B7R1.15 CN1CC(N)C1=O P45666 [0,0,0,1,0,0|2,0,0]=3 391 B7R1.15 CN1C[C@@H](N)C1=O P46164 [0,0,0,1,0,0|2,0,0]=3 392 B7R1.15 CN1C[C@H](N)C1=O P45267 [0,0,0,1,0,0|2,0,0]=3 393 B7R1.21 CC1(CCO)CC1 L14283 [0,0,0,1,0,0|2,0,1]=4 394 B7R1.22 CCC(N)C1CC1 L14734 [0,0,0,1,0,0|2,0,1]=4 395 B7R1.22 CCC(O)C1CC1 L14172 [0,0,0,1,0,0|2,0,1]=4 396 B7R1.22 CNC(C)C1CC1 P42683 [0,0,0,1,0,0|2,0,0]=3 397 B7R1.22 NC(CO)C1CC1 P36106 [0,0,0,1,0,0|1,0,2]=4 398 B7R1.22 NCC(O)C1CC1 P37544 [0,0,0,1,0,0|2,0,1]=4 399 B7R1.22 N[C@@H](CO)C1CC1 P41862 [0,0,0,1,0,0|1,0,2]=4 400 B7R1.22 N[C@H](CO)C1CC1 P42349 [0,0,0,1,0,0|1,0,2]=4 401 B7R1.25 C#CC1(C)CNC1 P50166 [0,0,0,1,0,0|2,0,1]=4 402 B7R1.25 C#CC1(C)COC1 G-7133 [0,0,0,1,0,0|2,0,1]=4 403 B7R1.25 C#CC1(N)CCC1 P44812 [0,0,0,1,0,0|2,0,1]=4 404 B7R1.25 C#CC1(N)CCC1 P48957 [0,0,0,1,0,0|2,0,1]=4 405 B7R1.25 C(=O)C1(C)COC1 C-2826 [0,0,0,1,0,0|1,0,0]=2 406 B7R1.25 C=CC1(O)COC1 L13683 [0,0,0,1,0,0|3,0,0]=4 407 B7R1.25 CC1(C#N)CNC1 G-5668 [0,0,0,1,0,0|2,0,1]=4 408 B7R1.25 CC1(C#N)CNC1 P44787 [0,0,0,1,0,0|2,0,1]=4 409 B7R1.25 CC1(C#N)COC1 G-7442 [0,0,0,1,0,0|2,0,1]=4 410 B7R1.25 CC1(C=O)CCC1 P45357 [0,0,0,1,0,0|0,0,0]=1 411 B7R1.25 CC1(CBr)CCC1 P44691 [0,0,0,1,0,0|1,0,1]=3 412 B7R1.25 CC1(CBr)CCO1 Q54729 [0,0,0,1,0,0|2,0,1]=4 413 B7R1.25 CC1(CBr)CNC1 P50067 [0,0,0,1,0,0|2,0,1]=4 414 B7R1.25 CC1(CBr)COC1 C-3487 [0,0,0,1,0,0|2,0,1]=4 415 B7R1.25 CC1(CCl)CCC1 P45668 [0,0,0,1,0,0|1,0,1]=3 416 B7R1.25 CC1(CF)CCN1 P47255 [0,0,0,1,0,0|2,0,1]=4 417 B7R1.25 CC1(CF)CNC1 P47232 [0,0,0,1,0,0|2,0,1]=4 418 B7R1.25 CC1(CF)CNC1 P50193 [0,0,0,1,0,0|2,0,1]=4 419 B7R1.25 CC1(CI)CCO1 Q55856 [0,0,0,1,0,0|2,0,1]=4 420 B7R1.25 CC1(CI)COC1 G-5286 [0,0,0,1,0,0|2,0,1]=4 421 B7R1.25 CC1(CN)CCC1 G-6314 [0,0,0,1,0,0|1,0,1]=3 422 B7R1.25 CC1(CN)CCC1 P44811 [0,0,0,1,0,0|1,0,1]=3 423 B7R1.25 CC1(CN)CCO1 Q55436 [0,0,0,1,0,0|2,0,1]=4 424 B7R1.25 CC1(CN)CNC1 G-5893 [0,0,0,1,0,0|2,0,1]=4 425 B7R1.25 CC1(CN)COC1 C-2245 [0,0,0,1,0,0|2,0,1]=4 426 B7R1.25 CC1(CO)CCC1 P38399 [0,0,0,1,0,0|0,0,2]=3 427 B7R1.25 CC1(CO)CCN1 P48829 [0,0,0,1,0,0|1,0,2]=4 428 B7R1.25 CC1(CO)CCN1 P50194 [0,0,0,1,0,0|1,0,2]=4 429 B7R1.25 CC1(CO)CCN1 P50195 [0,0,0,1,0,0|1,0,2]=4 430 B7R1.25 CC1(CO)CCO1 Q62788 [0,0,0,1,0,0|1,0,2]=4 431 B7R1.25 CC1(CO)CNC1 L21441 [0,0,0,1,0,0|1,0,2]=4 432 B7R1.25 CC1(CO)CNC1 P48076 [0,0,0,1,0,0|1,0,2]=4 433 B7R1.25 CC1(CS)COC1 Q51971 [0,0,0,1,0,0|1,1,1]=4 434 B7R1.25 CCC1(C)CNC1 P47022 [0,0,0,1,0,0|2,0,1]=4 435 B7R1.25 CCC1(C)CNC1 P47941 [0,0,0,1,0,0|2,0,1]=4 436 B7R1.25 CCC1(N)CCC1 P45271 [0,0,0,1,0,0|2,0,1]=4 437 B7R1.25 CCC1(N)CCC1 P45837 [0,0,0,1,0,0|2,0,1]=4 438 B7R1.25 CNC1(C)CNC1 P43151 [0,0,0,1,0,0|3,0,0]=4 439 B7R1.25 CNC1(C)CNC1 P48000 [0,0,0,1,0,0|3,0,0]=4 440 B7R1.25 CNC1(C)COC1 L21548 [0,0,0,1,0,0|3,0,0]=4 441 B7R1.25 COC1(C)CNC1 D-2562 [0,0,0,1,0,0|3,0,0]=4 442 B7R1.25 COC1(C)CNC1 P44994 [0,0,0,1,0,0|3,0,0]=4 443 B7R1.25 FC1(CBr)CCC1 P48063 [0,0,0,1,0,0|2,0,1]=4 444 B7R1.25 N#CC1(N)CCC1 F-4569 [0,0,0,1,0,0|2,0,1]=4 445 B7R1.25 N#CC1(N)CCC1 P35846 [0,0,0,1,0,0|2,0,1]=4 446 B7R1.25 N#CC1(O)CCC1 P45474 [0,0,0,1,0,0|2,0,1]=4 447 B7R1.25 NC1(CF)CCC1 P48954 [0,0,0,1,0,0|2,0,1]=4 448 B7R1.25 NC1(CF)CCC1 P48955 [0,0,0,1,0,0|2,0,1]=4 449 B7R1.25 NC1(CO)CCC1 L13691 [0,0,0,1,0,0|1,0,2]=4 450 B7R1.25 NC1(CO)CCC1 P47084 [0,0,0,1,0,0|1,0,2]=4 451 B7R1.25 NCC1(F)CCC1 L14376 [0,0,0,1,0,0|2,0,1]=4 452 B7R1.25 NCC1(N)CCC1 P45183 [0,0,0,1,0,0|2,0,1]=4 453 B7R1.25 NCC1(N)CCC1 P45615 [0,0,0,1,0,0|2,0,1]=4 454 B7R1.25 NCC1(O)CCC1 L14902 [0,0,0,1,0,0|2,0,1]=4 455 B7R1.25 OCC1(F)CCC1 P48894 [0,0,0,1,0,0|1,0,2]=4 456 B4R0.1 C=C(C)CN P39039 [2,0,0,0,0,0|1,0,1]=4 457 B4R0.1 CC(=O)CN P45193 [2,0,0,0,0,0|1,0,1]=4 458 B4R0.1 CC(Br)CO O34000 [2,0,0,0,0,0|2,0,0]=4 459 B4R0.1 CC(C)NO O30196 [2,0,0,0,0,0|1,0,1]=4 460 B4R0.1 CC(N)CS L19436 [2,0,0,0,0,0|2,0,0]=4 461 B4R0.1 CC(S)CN L19389 [2,0,0,0,0,0|1,1,0]=4 462 B4R0.1 C[C@@H](Cl)CO 10058 [2,0,0,0,0,0|2,0,0]=4 463 B4R0.2 C=CCCN L22153 [2,0,0,0,0,0|1,0,1]=4 464 B4R0.2 CCCNN O30752 [2,0,0,0,0,0|2,0,0]=4 465 B4R0.2 CNCCBr O34465 [2,0,0,0,0,0|2,0,0]=4 466 B4R0.2 COCC=O F-4461 [2,0,0,0,0,0|1,0,0]=3 467 B4R0.2 COCCI O28025 [2,0,0,0,0,0|2,0,0]=4 468 B4R0.2 CSCCBr O31085 [2,0,0,0,0,0|2,0,0]=4 469 B4R0.2 CSCCN P36563 [2,0,0,0,0,0|2,0,0]=4 470 B4R0.2 NCCCS A-986 [2,0,0,0,0,0|1,1,0]=4 471 B4R0.2 NCCCS M15465 [2,0,0,0,0,0|1,1,0]=4 472 B6R0.2 CC(=O)NC(C)C P50955 [1,1,0,0,0,0|1,0,1]=4 473 B6R0.2 CC(C)C[C@@H](C)O Q70085 [1,1,0,0,0,0|0,0,1]=3 474 B6R0.2 CC(N)CN(C)C P42731 [1,1,0,0,0,0|1,0,1]=4 475 B6R0.2 CC(O)CC(=O)O P38963 [1,1,0,0,0,0|1,0,1]=4 476 B6R0.2 C[C@@H](N)CC(=O)O P38442 [1,1,0,0,0,0|1,0,1]=4 477 B6R0.2 C[C@@H](N)CC(=O)O Q68956 [1,1,0,0,0,0|1,0,1]=4 478 B6R0.2 C[C@@H](N)CN(C)C P38236 [1,1,0,0,0,0|1,0,1]=4 479 B6R0.2 C[C@@H](O)CC(=O)O P36990 [1,1,0,0,0,0|1,0,1]=4 480 B6R0.2 C[C@H](N)CC(=O)O P38443 [1,1,0,0,0,0|1,0,1]=4 481 B6R0.2 C[C@H](N)CN(C)C P35926 [1,1,0,0,0,0|1,0,1]=4 482 B6R0.2 C[C@H](O)CC(=O)O P37046 [1,1,0,0,0,0|1,0,1]=4 483 B6R0.3 CC(C)C(O)CN P40479 [1,1,0,0,0,0|1,0,1]=4 484 B6R0.3 CC(C)[C@@H](N)CO L13788 [1,1,0,0,0,0|1,0,1]=4 485 B6R0.3 CCC(C)C(C)N O31127 [1,1,0,0,0,0|1,0,0]=3 486 B6R0.3 CCC(N)C(C)O L20519 [1,1,0,0,0,0|0,0,1]=3 487 B6R0.3 CCC(N)C(N)=O P35312 [1,1,0,0,0,0|1,0,1]=4 488 B6R0.3 CC[C@@H](Br)C(=O)O P45858 [1,1,0,0,0,0|1,0,1]=4 489 B6R0.3 CC[C@@H](O)C(=O)O P40022 [1,1,0,0,0,0|1,0,1]=4 490 B6R0.3 CC[C@H](Br)C(=O)O P45751 [1,1,0,0,0,0|1,0,1]=4 491 B6R0.3 CC[C@H](O)C(=O)O P38746 [1,1,0,0,0,0|1,0,1]=4 492 B6R0.4 C#CCCC(C)O L18987 [1,1,0,0,0,0|0,0,2]=4 493 B6R0.4 CC(Br)CCC#N L20214 [1,1,0,0,0,0|1,0,1]=4 494 B6R0.4 CC(C)CCON L20789 [1,1,0,0,0,0|1,0,1]=4 495 B6R0.4 CC(C)NCCCl O34399 [1,1,0,0,0,0|1,0,1]=4 496 B6R0.4 CCNCC(=O)O P37534 [1,1,0,0,0,0|1,0,1]=4 497 B6R0.4 CCNCC(N)=O P36580 [1,1,0,0,0,0|1,0,1]=4 498 B6R0.4 CN(C)CCCBr O34500 [1,1,0,0,0,0|1,0,1]=4 499 B6R0.4 CNCCC(=O)O P36779 [1,1,0,0,0,0|1,0,1]=4 500 B6R0.4 CNCCC(=O)O P39205 [1,1,0,0,0,0|1,0,1]=4 501 B6R0.4 CNCCC(C)O P38146 [1,1,0,0,0,0|0,0,1]=3 502 B6R0.4 CNCCC(N)=O P37896 [1,1,0,0,0,0|1,0,1]=4 503 B6R0.5 CC(C)(C)CCN O30845 [1,1,0,0,0,0|1,0,1]=4 504 B6R0.5 CC(C)(O)CCBr H-8053 [1,1,0,0,0,0|1,0,1]=4 505 B6R0.5 CC(C)(O)CCN M22892 [1,1,0,0,0,0|1,0,1]=4 506 B6R0.5 CCCS(N)(=O)=O O34092 [1,1,0,0,0,0|2,0,0]=4 507 B6R0.5 CNCC(C)(C)C P38864 [1,1,0,0,0,0|1,0,1]=4 508 B6R0.5 CNCC(C)(C)O F-4611 [1,1,0,0,0,0|1,0,1]=4 509 B6R0.5 COCC(C)(C)N P39356 [1,1,0,0,0,0|1,0,1]=4 510 B6R0.5 CS(=O)(=O)CCBr H-8028 [1,1,0,0,0,0|2,0,0]=4 511 B6R0.5 CS(=O)(=O)CCCl O31078 [1,1,0,0,0,0|2,0,0]=4 512 B6R0.5 CS(=O)(=O)CCN P43261 [1,1,0,0,0,0|2,0,0]=4 513 B6R0.6 C#CCCCCI P39398 [1,1,0,0,0,0|1,0,1]=4 514 B6R0.6 C#CCCCCN O31570 [1,1,0,0,0,0|1,0,1]=4 515 B6R0.6 C#CCCCNC L19187 [1,1,0,0,0,0|1,0,1]=4 516 B6R0.6 CNCCCCN L19491 [1,1,0,0,0,0|1,0,1]=4 517 B6R0.6 CNCCCOC P37437 [1,1,0,0,0,0|2,0,0]=4 518 B6R0.6 COCCCCN O29739 [1,1,0,0,0,0|1,0,1]=4 519 B6R0.8 C#CC(C)(N)CC M15500 [1,1,0,0,0,0|1,0,1]=4 520 B6R0.8 C=CC(C)(O)CN M15517 [1,1,0,0,0,0|2,0,0]=4 521 B6R0.8 CCC(C)(C)CO O30180 [1,1,0,0,0,0|0,0,2]=4 522 B6R0.9 CCC(CC)NN O31133 [1,1,0,0,0,0|2,0,0]=4 523 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O O28696 [0,2,0,0,0,0|1,0,0]=3 524 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O O28455 [0,2,0,0,0,0|1,0,0]=3 525 B8R0.5 CCCC(=O)CC(C)=O O29704 [0,2,0,0,0,0|1,0,1]=4 526 B8R0.5 COCC(O)CC(=O)O F-4460 [0,2,0,0,0,0|2,0,0]=4 527 B8R0.23 C=C(C)CC(N)C(=O)O P39089 [0,2,0,0,0,0|1,0,1]=4 528 B8R0.23 C=C(C)C[C@@H](N)C(=O)O O28738 [0,2,0,0,0,0|1,0,1]=4 529 B8R0.23 C=C(C)C[C@H](N)C(=O)O O28733 [0,2,0,0,0,0|1,0,1]=4 530 B8R0.23 CC(=O)O[C@H](C)C(=O)Cl H-8722 [0,2,0,0,0,0|1,0,1]=4 531 B8R0.23 CC(C)C[C@@H](O)C(=O)O P39959 [0,2,0,0,0,0|1,0,0]=3 532 B8R0.23 CN(C)C[C@H](N)C(=O)O P43074 [0,2,0,0,0,0|2,0,0]=4 533 B8R0.23 C[C@@H](CC(=O)O)C(=O)O P39685 [0,2,0,0,0,0|1,0,1]=4 534 B8R0.3 CCCC(N)C(=O)OC P43113 [0,2,0,0,0,0|1,0,0]=3 535 B8R0.8 C#CCCC(N)C(=O)O P39732 [0,2,0,0,0,0|1,0,1]=4 536 B8R0.8 C#CCOC(C)C(=O)O O29907 [0,2,0,0,0,0|0,0,2]=4 537 B8R0.8 C=CCCC(N)C(=O)O P40793 [0,2,0,0,0,0|1,0,1]=4 538 B8R0.8 C=CCCC(N)C(N)=O Q65911 [0,2,0,0,0,0|1,0,1]=4 539 B8R0.8 C=CCC[C@@H](N)C(=O)O P42941 [0,2,0,0,0,0|1,0,1]=4 540 B8R0.8 C=CCC[C@H](N)C(=O)O P35206 [0,2,0,0,0,0|1,0,1]=4 541 B8R0.8 CC#CC[C@@H](N)C(=O)O Q65835 [0,2,0,0,0,0|1,0,1]=4 542 B8R0.8 CC#CC[C@H](N)C(=O)O Q65833 [0,2,0,0,0,0|1,0,1]=4 543 B8R0.8 CC(=O)N(C)CCCN P35843 [0,2,0,0,0,0|1,0,0]=3 544 B8R0.8 C[Se]CC[C@H](N)C(=O)O P38844 [0,2,0,0,0,0|1,0,0]=3 545 B8R0.8 N[C@H](CCCO)C(=O)O P37057 [0,2,0,0,0,0|1,0,0]=3 546 B8R0.25 CC(C)(C#N)CCCI I-9878 [0,2,0,0,0,0|1,0,1]=4 547 B8R0.12 COCC(F)(F)C(=O)O F-4245 [0,2,0,0,0,0|2,0,0]=4 548 B8R0.15 C=CCC(CC)C(=O)O Q69583 [0,2,0,0,0,0|0,0,2]=4 549 B8R0.15 CCC[C@@H](NC)C(=O)O P36548 [0,2,0,0,0,0|0,0,0]=2 550 B8R0.15 CCC[C@H](NC)C(=O)O P40204 [0,2,0,0,0,0|0,0,0]=2 551 B8R0.22 CCCC(CBr)CCC O29610 [0,2,0,0,0,0|1,0,1]=4 552 B6R1.2 BrC1CCOC1 C-3309 [1,0,0,1,0,0|2,0,0]=4 553 B6R1.2 CC1CCCN1 Q61737 [1,0,0,1,0,0|1,0,0]=3 554 B6R1.2 CC1CCNC1 M22664 [1,0,0,1,0,0|1,0,1]=4 555 B6R1.2 C[C@@H]1CCCN1 L14631 [1,0,0,1,0,0|1,0,0]=3 556 B6R1.2 C[C@@H]1CCNC1 L13628 [1,0,0,1,0,0|1,0,1]=4 557 B6R1.2 C[C@H]1CCNC1 L14084 [1,0,0,1,0,0|1,0,1]=4 558 B6R1.2 ClC1CCNC1 P42791 [1,0,0,1,0,0|2,0,0]=4 559 B6R1.2 FC1CCNC1 A-349 [1,0,0,1,0,0|2,0,0]=4 560 B6R1.2 FC1CCNC1 C-2208 [1,0,0,1,0,0|2,0,0]=4 561 B6R1.2 FC1CCNC1 P51370 [1,0,0,1,0,0|2,0,0]=4 562 B6R1.2 F[C@@H]1CCNC1 O33274 [1,0,0,1,0,0|2,0,0]=4 563 B6R1.2 F[C@H]1CCNC1 A-348 [1,0,0,1,0,0|2,0,0]=4 564 B6R1.2 F[C@H]1CCNC1 L22005 [1,0,0,1,0,0|2,0,0]=4 565 B6R1.2 IC1CCCC1 I-9679 [1,0,0,1,0,0|1,0,0]=3 566 B6R1.2 IC1CCOC1 C-3308 [1,0,0,1,0,0|2,0,0]=4 567 B6R1.2 I[C@@H]1CCOC1 G-5348 [1,0,0,1,0,0|2,0,0]=4 568 B6R1.2 I[C@H]1CCOC1 G-5349 [1,0,0,1,0,0|2,0,0]=4 569 B6R1.2 NC1CCOC1 B-1171 [1,0,0,1,0,0|2,0,0]=4 570 B6R1.2 NC1CCOC1 P39935 [1,0,0,1,0,0|2,0,0]=4 571 B6R1.2 NN1CCCC1 M23462 [1,0,0,1,0,0|2,0,0]=4 572 B6R1.2 N[C@@H]1CCOC1 F-4072 [1,0,0,1,0,0|2,0,0]=4 573 B6R1.2 N[C@@H]1CCOC1 G-5144 [1,0,0,1,0,0|2,0,0]=4 574 B6R1.2 N[C@H]1CCOC1 F-4071 [1,0,0,1,0,0|2,0,0]=4 575 B6R1.2 N[C@H]1CCOC1 G-5145 [1,0,0,1,0,0|2,0,0]=4 576 B6R1.2 O=C1CCNC1 C-2247 [1,0,0,1,0,0|1,0,1]=4 577 B6R1.2 O=C1CCNC1 S72535 [1,0,0,1,0,0|1,0,1]=4 578 B6R1.2 O=C1CCOC1 B-1767 [1,0,0,1,0,0|1,0,1]=4 579 B6R1.2 O=C1CCSC1 G-7753 [1,0,0,1,0,0|1,0,1]=4 580 B6R1.2 OC1C=CCC1 Q62924 [1,0,0,1,0,0|1,0,1]=4 581 B6R1.2 OC1CCNC1 G-5959 [1,0,0,1,0,0|1,0,1]=4 582 B6R1.2 OC1CCNC1 I-9548 [1,0,0,1,0,0|1,0,1]=4 583 B6R1.2 OC1CCOC1 C-3328 [1,0,0,1,0,0|1,0,1]=4 584 B6R1.2 O[C@@H]1CCOC1 G-5347 [1,0,0,1,0,0|1,0,1]=4 585 B6R1.2 O[C@H]1CCOC1 G-6766 [1,0,0,1,0,0|1,0,1]=4 586 B6R1.3 BrCCC1CC1 O33551 [1,0,0,1,0,0|1,0,1]=4 587 B6R1.3 BrCC[C@H]1CO1 P51572 [1,0,0,1,0,0|1,0,1]=4 588 B6R1.3 CCNC1CC1 P36705 [1,0,0,1,0,0|1,0,1]=4 589 B6R1.3 CNCC1CC1 L13551 [1,0,0,1,0,0|1,0,1]=4 590 B6R1.3 ICCC1CC1 I-9916 [1,0,0,1,0,0|1,0,1]=4 591 B6R1.3 NCCC1CC1 G-5988 [1,0,0,1,0,0|1,0,1]=4 592 B6R1.3 OCCC1CC1 G-5984 [1,0,0,1,0,0|1,0,1]=4 593 B6R1.5 C=C1CC(N)C1 P48610 [1,0,0,1,0,0|1,0,1]=4 594 B6R1.5 C=C1CC(O)C1 P45320 [1,0,0,1,0,0|1,0,1]=4 595 B6R1.5 CC1CC(=O)C1 L18001 [1,0,0,1,0,0|0,0,1]=3 596 B6R1.5 CC1CC(C)N1 P47027 [1,0,0,1,0,0|1,0,0]=3 597 B6R1.5 CC1CC(C)N1 P48835 [1,0,0,1,0,0|1,0,0]=3 598 B6R1.5 CC1CC(N)C1 P44935 [1,0,0,1,0,0|1,0,0]=3 599 B6R1.5 CC1CC(N)C1 P44936 [1,0,0,1,0,0|1,0,0]=3 600 B6R1.5 CC1CC(O)C1 P44316 [1,0,0,1,0,0|0,0,1]=3 601 B6R1.5 CN1CC(=O)C1 L18430 [1,0,0,1,0,0|1,0,1]=4 602 B6R1.5 CN1CC(=O)C1 P49738 [1,0,0,1,0,0|1,0,1]=4 603 B6R1.5 CN1CC(Cl)C1 P45381 [1,0,0,1,0,0|2,0,0]=4 604 B6R1.5 CN1CC(Cl)C1 Q56193 [1,0,0,1,0,0|2,0,0]=4 605 B6R1.5 CN1CC(N)C1 C-2453 [1,0,0,1,0,0|2,0,0]=4 606 B6R1.5 CN1CC(N)C1 O28765 [1,0,0,1,0,0|2,0,0]=4 607 B6R1.5 CN1CC(O)C1 C-2454 [1,0,0,1,0,0|1,0,1]=4 608 B6R1.5 CN1CC(O)C1 C-2454-1 [1,0,0,1,0,0|1,0,1]=4 609 B6R1.5 C[C@@H]1C[C@@H](C)N1 P45580 [1,0,0,1,0,0|1,0,0]=3 610 B6R1.5 C[C@H]1C[C@@H](C)N1 P50117 [1,0,0,1,0,0|1,0,0]=3 611 B6R1.5 C[C@H]1C[C@@H](N)C1 O33385 [1,0,0,1,0,0|1,0,0]=3 612 B6R1.5 C[C@H]1C[C@@H](N)C1 P46389 [1,0,0,1,0,0|1,0,0]=3 613 B6R1.5 C[C@H]1C[C@@H](O)C1 P46931 [1,0,0,1,0,0|0,0,1]=3 614 B6R1.5 C[C@H]1C[C@H](C)N1 P45579 [1,0,0,1,0,0|1,0,0]=3 615 B6R1.5 C[C@H]1C[C@H](N)C1 P46388 [1,0,0,1,0,0|1,0,0]=3 616 B6R1.5 C[C@H]1C[C@H](N)C1 P50114 [1,0,0,1,0,0|1,0,0]=3 617 B6R1.5 C[C@H]1C[C@H](O)C1 P47360 [1,0,0,1,0,0|0,0,1]=3 618 B6R1.5 NC1CC(=O)C1 C-3677 [1,0,0,1,0,0|1,0,1]=4 619 B6R1.5 NC1CC(=O)C1 P44186 [1,0,0,1,0,0|1,0,1]=4 620 B6R1.5 NC1CC(F)C1 C-3436 [1,0,0,1,0,0|2,0,0]=4 621 B6R1.5 NC1CC(F)C1 C-3436-1 [1,0,0,1,0,0|2,0,0]=4 622 B6R1.5 NC1CC(N)C1 G-7909 [1,0,0,1,0,0|2,0,0]=4 623 B6R1.5 NC1CC(N)C1 P48839 [1,0,0,1,0,0|2,0,0]=4 624 B6R1.5 NC1CC(O)C1 C-3623 [1,0,0,1,0,0|1,0,1]=4 625 B6R1.5 NC1CC(O)C1 L13650 [1,0,0,1,0,0|1,0,1]=4 626 B6R1.5 N[C@H]1C[C@@H](Br)C1 P50483 [1,0,0,1,0,0|2,0,0]=4 627 B6R1.5 N[C@H]1C[C@@H](F)C1 G-7327 [1,0,0,1,0,0|2,0,0]=4 628 B6R1.5 N[C@H]1C[C@@H](F)C1 P44134 [1,0,0,1,0,0|2,0,0]=4 629 B6R1.5 N[C@H]1C[C@@H](N)C1 G-7228 [1,0,0,1,0,0|2,0,0]=4 630 B6R1.5 N[C@H]1C[C@@H](N)C1 P48601 [1,0,0,1,0,0|2,0,0]=4 631 B6R1.5 N[C@H]1C[C@@H](O)C1 C-3619 [1,0,0,1,0,0|1,0,1]=4 632 B6R1.5 N[C@H]1C[C@@H](O)C1 P49926 [1,0,0,1,0,0|1,0,1]=4 633 B6R1.5 N[C@H]1C[C@H](F)C1 G-7326 [1,0,0,1,0,0|2,0,0]=4 634 B6R1.5 N[C@H]1C[C@H](F)C1 P44133 [1,0,0,1,0,0|2,0,0]=4 635 B6R1.5 N[C@H]1C[C@H](N)C1 G-7229 [1,0,0,1,0,0|2,0,0]=4 636 B6R1.5 N[C@H]1C[C@H](N)C1 G-7230 [1,0,0,1,0,0|2,0,0]=4 637 B6R1.5 N[C@H]1C[C@H](O)C1 C-3620 [1,0,0,1,0,0|1,0,1]=4 638 B6R1.5 N[C@H]1C[C@H](O)C1 L14309 [1,0,0,1,0,0|1,0,1]=4 639 B6R1.5 O=C1CC(Br)C1 G-6311 [1,0,0,1,0,0|1,0,1]=4 640 B6R1.5 O=C1CC(F)C1 H-8760 [1,0,0,1,0,0|1,0,1]=4 641 B6R1.5 O=C1CC(O)C1 F-4733 [1,0,0,1,0,0|1,0,1]=4 642 B6R1.5 OC1CC(F)C1 I-9823 [1,0,0,1,0,0|1,0,1]=4 643 B6R1.5 OC1CC(O)C1 P45378 [1,0,0,1,0,0|1,0,1]=4 644 B6R1.5 O[C@H]1C[C@@H](F)C1 L18143 [1,0,0,1,0,0|1,0,1]=4 645 B6R1.5 O[C@H]1C[C@@H](O)C1 P48796 [1,0,0,1,0,0|1,0,1]=4 646 B6R1.5 O[C@H]1C[C@H](F)C1 G-7980 [1,0,0,1,0,0|1,0,1]=4 647 B6R1.5 O[C@H]1C[C@H](O)C1 P48795 [1,0,0,1,0,0|1,0,1]=4 648 B6R1.8 C[C@H]1C[C@H]1CO P43750 [1,0,0,1,0,0|1,0,1]=4 649 B6R1.9 CC1(C)CC1Br O33124 [1,0,0,1,0,0|1,0,1]=4 650 B6R1.10 CC1(Br)CCC1 P45156 [1,0,0,1,0,0|1,0,0]=3 651 B6R1.10 CC1(C)CCN1 P49830 [1,0,0,1,0,0|1,0,1]=4 652 B6R1.10 CC1(C)CCN1 P49838 [1,0,0,1,0,0|1,0,1]=4 653 B6R1.10 CC1(C)CNC1 G-7241 [1,0,0,1,0,0|1,0,1]=4 654 B6R1.10 CC1(C)CNC1 P46487 [1,0,0,1,0,0|1,0,1]=4 655 B6R1.10 CC1(Cl)CNC1 P45910 [1,0,0,1,0,0|2,0,0]=4 656 B6R1.10 CC1(F)CNC1 G-7993 [1,0,0,1,0,0|2,0,0]=4 657 B6R1.10 CC1(F)CNC1 P48538 [1,0,0,1,0,0|2,0,0]=4 658 B6R1.10 CC1(I)CCC1 P44701 [1,0,0,1,0,0|1,0,0]=3 659 B6R1.10 CC1(I)COC1 Q55935 [1,0,0,1,0,0|2,0,0]=4 660 B6R1.10 CC1(N)CCC1 L13595 [1,0,0,1,0,0|1,0,0]=3 661 B6R1.10 CC1(N)CCC1 P45646 [1,0,0,1,0,0|1,0,0]=3 662 B6R1.10 CC1(N)CNC1 C-3560 [1,0,0,1,0,0|2,0,0]=4 663 B6R1.10 CC1(N)CNC1 P48044 [1,0,0,1,0,0|2,0,0]=4 664 B6R1.10 CC1(N)COC1 C-2450 [1,0,0,1,0,0|2,0,0]=4 665 B6R1.10 CC1(N)COC1 C-2981 [1,0,0,1,0,0|2,0,0]=4 666 B6R1.10 CC1(N)CSC1 L14368 [1,0,0,1,0,0|2,0,0]=4 667 B6R1.10 CC1(N)CSC1 Q55807 [1,0,0,1,0,0|2,0,0]=4 668 B6R1.10 CC1(O)CCC1 P39996 [1,0,0,1,0,0|0,0,1]=3 669 B6R1.10 CC1(O)CNC1 D-2563 [1,0,0,1,0,0|1,0,1]=4 670 B6R1.10 CC1(O)CNC1 P45881 [1,0,0,1,0,0|1,0,1]=4 671 B6R1.10 CC1(O)COC1 G-6552 [1,0,0,1,0,0|1,0,1]=4 672 B6R1.10 CC1(O)CSC1 L14102 [1,0,0,1,0,0|1,0,1]=4 673 B6R1.11 CC(N)C1CC1 A-640 [1,0,0,1,0,0|1,0,0]=3 674 B6R1.11 CC(N)C1CC1 A-640-HCL [1,0,0,1,0,0|1,0,0]=3 675 B6R1.11 C[C@@H](N)C1CC1 P46530 [1,0,0,1,0,0|1,0,0]=3 676 B6R1.11 C[C@H](N)C1CC1 L14639 [1,0,0,1,0,0|1,0,0]=3 677 B6R1.11 C[C@H](O)C1CC1 K13410 [1,0,0,1,0,0|0,0,1]=3 678 B6R1.1 C1=CCNCC1 C-2421 [1,0,0,1,0,0|2,0,0]=4 679 B6R1.1 C1=CCOCC1 G-7030 [1,0,0,1,0,0|2,0,0]=4 680 B6R1.4 CC1CCC1=O P47956 [1,0,0,1,0,0|0,0,0]=2 681 B6R1.4 CC1CCC1N P44937 [1,0,0,1,0,0|1,0,1]=4 682 B6R1.4 CC1CCC1N P47065 [1,0,0,1,0,0|1,0,1]=4 683 B6R1.4 CC1CCC1O L20058 [1,0,0,1,0,0|0,0,2]=4 684 B6R1.4 CC1OCC1=O L18036 [1,0,0,1,0,0|1,0,0]=3 685 B6R1.4 NN1CCC1=O P48248 [1,0,0,1,0,0|2,0,0]=4 686 B6R1.4 N[C@@H]1CNC1=O P44692 [1,0,0,1,0,0|2,0,0]=4 687 B6R1.4 N[C@@H]1CNC1=O P50494 [1,0,0,1,0,0|2,0,0]=4 688 B6R1.4 N[C@H]1CNC1=O P44185 [1,0,0,1,0,0|2,0,0]=4 689 B6R1.4 N[C@H]1CNC1=O Q52584 [1,0,0,1,0,0|2,0,0]=4 690 B6R1.4 O=C1CCC1Br P49445 [1,0,0,1,0,0|1,0,0]=3 691 B6R1.4 O=C1CCC1O P47312 [1,0,0,1,0,0|1,0,0]=3 692 B6R1.4 O=C1NCC1O P45440 [1,0,0,1,0,0|2,0,0]=4 693 B6R1.6 C#CC1CCC1 P45543 [1,0,0,1,0,0|1,0,1]=4 694 B6R1.6 CCC1CCN1 P47056 [1,0,0,1,0,0|1,0,1]=4 695 B6R1.6 CCC1CCN1 P48764 [1,0,0,1,0,0|1,0,1]=4 696 B6R1.6 CCC1CNC1 P45196 [1,0,0,1,0,0|2,0,0]=4 697 B6R1.6 CCC1CNC1 P47098 [1,0,0,1,0,0|2,0,0]=4 698 B6R1.6 CNC1CCC1 O34360 [1,0,0,1,0,0|2,0,0]=4 699 B6R1.6 CNC1CCC1 P45733 [1,0,0,1,0,0|2,0,0]=4 700 B6R1.6 ClCC1CCC1 M23070 [1,0,0,1,0,0|1,0,1]=4 701 B6R1.6 ICC1CCC1 H-8778 [1,0,0,1,0,0|1,0,1]=4 702 B6R1.6 N#CC1CCC1 G-7033 [1,0,0,1,0,0|1,0,1]=4 703 B6R1.6 NCC1CCC1 C-2308 [1,0,0,1,0,0|1,0,1]=4 704 B6R1.6 NCC1CCC1 L13986 [1,0,0,1,0,0|1,0,1]=4 705 B6R1.6 NNC1CCC1 O30528 [1,0,0,1,0,0|2,0,0]=4 706 B6R1.6 NNC1CCC1 O31125 [1,0,0,1,0,0|2,0,0]=4 707 B6R1.6 NNC1CCC1 P44553 [1,0,0,1,0,0|2,0,0]=4 708 B6R1.6 O=CC1COC1 L21547 [1,0,0,1,0,0|1,0,0]=3 709 B6R1.7 C#CC1(C)CC1 K12431 [1,0,0,1,0,0|1,0,1]=4 710 B6R1.7 CC1(C#N)CC1 K12466 [1,0,0,1,0,0|1,0,1]=4 711 B6R1.7 CC1(CN)CC1 P51452 [1,0,0,1,0,0|1,0,1]=4 712 B6R1.7 CC1(CO)CC1 L14025 [1,0,0,1,0,0|0,0,2]=4 713 B8R1.1 C=CC1CCC(=O)C1 Q57034 [0,1,0,1,0,0|1,0,1]=4 714 B8R1.1 CC1CC(CO)CN1 Q61629 [0,1,0,1,0,0|0,0,2]=4 715 B8R1.1 CCC1CCC(C)N1 Q59319 [0,1,0,1,0,0|1,0,1]=4 716 B8R1.1 CN1CCC(CO)C1 O34373 [0,1,0,1,0,0|0,0,2]=4 717 B8R1.1 CN1CC[C@@H](CN)C1 I-9757 [0,1,0,1,0,0|1,0,1]=4 718 B8R1.1 CN1CC[C@@H](CN)C1 L14238 [0,1,0,1,0,0|1,0,1]=4 719 B8R1.1 CN1CC[C@@H](CO)C1 G-5013 [0,1,0,1,0,0|0,0,2]=4 720 B8R1.1 CN1CC[C@H](CN)C1 I-9844 [0,1,0,1,0,0|1,0,1]=4 721 B8R1.1 CN1CC[C@H](CO)C1 G-5012 [0,1,0,1,0,0|0,0,2]=4 722 B8R1.1 CNC1CCN(C)C1 G-5265 [0,1,0,1,0,0|2,0,0]=4 723 B8R1.1 CN[C@@H]1CCN(C)C1 I-9892 [0,1,0,1,0,0|2,0,0]=4 724 B8R1.1 CN[C@H]1CCN(C)C1 I-9891 [0,1,0,1,0,0|2,0,0]=4 725 B8R1.1 COC1CCC(N)C1 L22158 [0,1,0,1,0,0|2,0,0]=4 726 B8R1.1 COC1CCC(N)C1 Q52668 [0,1,0,1,0,0|2,0,0]=4 727 B8R1.1 COC1CCC(O)C1 Q57014 [0,1,0,1,0,0|2,0,0]=4 728 B8R1.1 CO[C@@H]1C=C[C@@H](O)C1 Q63544 [0,1,0,1,0,0|2,0,0]=4 729 B8R1.1 CO[C@@H]1C=C[C@H](O)C1 Q63542 [0,1,0,1,0,0|2,0,0]=4 730 B8R1.1 CO[C@@H]1CC[C@@H](N)C1 O33204 [0,1,0,1,0,0|2,0,0]=4 731 B8R1.1 CO[C@@H]1CC[C@@H](N)C1 Q64245 [0,1,0,1,0,0|2,0,0]=4 732 B8R1.1 CO[C@@H]1CC[C@@H](O)C1 Q56989 [0,1,0,1,0,0|2,0,0]=4 733 B8R1.1 CO[C@@H]1CC[C@H](N)C1 Q64243 [0,1,0,1,0,0|2,0,0]=4 734 B8R1.1 CO[C@@H]1CC[C@H](N)C1 Q64248 [0,1,0,1,0,0|2,0,0]=4 735 B8R1.1 CO[C@@H]1CC[C@H](O)C1 Q57013 [0,1,0,1,0,0|2,0,0]=4 736 B8R1.1 CO[C@@H]1CN[C@@H](C)C1 Q61885 [0,1,0,1,0,0|1,0,1]=4 737 B8R1.1 CO[C@@H]1CN[C@H](C)C1 Q61884 [0,1,0,1,0,0|1,0,1]=4 738 B8R1.1 CO[C@H]1C=C[C@@H](O)C1 Q63543 [0,1,0,1,0,0|2,0,0]=4 739 B8R1.1 CO[C@H]1C=C[C@H](O)C1 Q63545 [0,1,0,1,0,0|2,0,0]=4 740 B8R1.1 CO[C@H]1CC[C@@H](N)C1 O33413 [0,1,0,1,0,0|2,0,0]=4 741 B8R1.1 CO[C@H]1CC[C@@H](N)C1 Q64247 [0,1,0,1,0,0|2,0,0]=4 742 B8R1.1 CO[C@H]1CC[C@H](N)C1 Q64244 [0,1,0,1,0,0|2,0,0]=4 743 B8R1.1 CO[C@H]1CC[C@H](N)C1 Q64246 [0,1,0,1,0,0|2,0,0]=4 744 B8R1.1 CO[C@H]1CN[C@@H](C)C1 Q61883 [0,1,0,1,0,0|1,0,1]=4 745 B8R1.1 CO[C@H]1CN[C@H](C)C1 Q61886 [0,1,0,1,0,0|1,0,1]=4 746 B8R1.1 C[C@@H]1CN[C@H](CO)C1 Q64749 [0,1,0,1,0,0|0,0,2]=4 747 B8R1.1 C[C@H]1C[C@@H](CO)CN1 Q61880 [0,1,0,1,0,0|0,0,2]=4 748 B8R1.1 C[C@H]1C[C@H](CO)CN1 Q61879 [0,1,0,1,0,0|0,0,2]=4 749 B8R1.1 N#CC1CCC(N)C1 K10849 [0,1,0,1,0,0|1,0,1]=4 750 B8R1.1 N#CC1CCC(N)C1 P50558 [0,1,0,1,0,0|1,0,1]=4 751 B8R1.1 N#CC1CCC(N)C1 Q54476 [0,1,0,1,0,0|1,0,1]=4 752 B8R1.1 N#C[C@@H]1CC[C@H](N)C1 K10963 [0,1,0,1,0,0|1,0,1]=4 753 B8R1.1 NCC1CCC(F)C1 Q52913 [0,1,0,1,0,0|1,0,1]=4 754 B8R1.1 NC[C@@H]1CC[C@@H](F)C1 Q52915 [0,1,0,1,0,0|1,0,1]=4 755 B8R1.1 NC[C@@H]1CC[C@@H](O)C1 Q57119 [0,1,0,1,0,0|1,0,1]=4 756 B8R1.1 NC[C@@H]1CC[C@H](O)C1 Q57118 [0,1,0,1,0,0|1,0,1]=4 757 B8R1.1 NC[C@H]1CC[C@@H](F)C1 Q52914 [0,1,0,1,0,0|1,0,1]=4 758 B8R1.1 NC[C@H]1CC[C@@H](O)C1 Q57121 [0,1,0,1,0,0|1,0,1]=4 759 B8R1.1 NC[C@H]1CC[C@H](O)C1 Q57120 [0,1,0,1,0,0|1,0,1]=4 760 B8R1.1 O=CC1CCC(O)C1 Q56985 [0,1,0,1,0,0|0,0,0]=2 761 B8R1.1 OCC1CCC(F)C1 Q52910 [0,1,0,1,0,0|0,0,2]=4 762 B8R1.1 OC[C@@H]1CC[C@@H](F)C1 Q52912 [0,1,0,1,0,0|0,0,2]=4 763 B8R1.1 OC[C@H]1CC[C@@H](F)C1 Q52911 [0,1,0,1,0,0|0,0,2]=4 764 B8R1.4 C=C1CCOC(C)C1 Q54980 [0,1,0,1,0,0|2,0,0]=4 765 B8R1.4 CC1=CCCC(=O)C1 O32064 [0,1,0,1,0,0|0,0,2]=4 766 B8R1.4 CC1CC(=O)CCN1 D-2514 [0,1,0,1,0,0|1,0,0]=3 767 B8R1.4 CC1CC(=O)CCO1 A-836 [0,1,0,1,0,0|1,0,0]=3 768 B8R1.4 CC1CC(Br)CCO1 Q57805 [0,1,0,1,0,0|2,0,0]=4 769 B8R1.4 CC1CC(N)CCO1 A-878 [0,1,0,1,0,0|2,0,0]=4 770 B8R1.4 CC1CC(O)CCN1 G-7300 [0,1,0,1,0,0|2,0,0]=4 771 B8R1.4 CC1CC(O)CCN1 L21311 [0,1,0,1,0,0|2,0,0]=4 772 B8R1.4 CC1CC(O)CCO1 A-877 [0,1,0,1,0,0|2,0,0]=4 773 B8R1.4 CC1CCNC(=O)C1 L13355 [0,1,0,1,0,0|1,0,0]=3 774 B8R1.4 CC1CNCC(F)C1 Q54411 [0,1,0,1,0,0|1,0,1]=4 775 B8R1.4 CN1CCOC(=O)C1 Q54674 [0,1,0,1,0,0|2,0,0]=4 776 B8R1.4 C[C@@H]1CC(=O)CCN1 G-7641 [0,1,0,1,0,0|1,0,0]=3 777 B8R1.4 C[C@@H]1CC(=O)CCO1 H-8404 [0,1,0,1,0,0|1,0,0]=3 778 B8R1.4 C[C@@H]1CCC[C@@H](C)N1 Q65231 [0,1,0,1,0,0|1,0,1]=4 779 B8R1.4 C[C@@H]1CCC[C@@H](C)N1 Q65232 [0,1,0,1,0,0|1,0,1]=4 780 B8R1.4 C[C@@H]1CCC[C@@H](N)C1 P49440 [0,1,0,1,0,0|1,0,1]=4 781 B8R1.4 C[C@@H]1CCC[C@@H](O)C1 P45249 [0,1,0,1,0,0|0,0,2]=4 782 B8R1.4 C[C@@H]1CCC[C@@H](O)C1 P45891 [0,1,0,1,0,0|0,0,2]=4 783 B8R1.4 C[C@@H]1CCC[C@H](N)C1 P45362 [0,1,0,1,0,0|1,0,1]=4 784 B8R1.4 C[C@@H]1CCC[C@H](N)C1 P49441 [0,1,0,1,0,0|1,0,1]=4 785 B8R1.4 C[C@@H]1CCC[C@H](O)C1 P45486 [0,1,0,1,0,0|0,0,2]=4 786 B8R1.4 C[C@@H]1CCC[C@H](O)C1 P45892 [0,1,0,1,0,0|0,0,2]=4 787 B8R1.4 C[C@@H]1CNCC(=O)N1 L13903 [0,1,0,1,0,0|1,0,0]=3 788 B8R1.4 C[C@@H]1C[C@H](F)CCN1 Q63705 [0,1,0,1,0,0|2,0,0]=4 789 B8R1.4 C[C@@H]1C[C@H](N)CCO1 Q61448 [0,1,0,1,0,0|2,0,0]=4 790 B8R1.4 C[C@@H]1C[C@H](O)CCN1 G-6431 [0,1,0,1,0,0|2,0,0]=4 791 B8R1.4 C[C@@H]1C[C@H](O)CCN1 Q56468 [0,1,0,1,0,0|2,0,0]=4 792 B8R1.4 C[C@H]1CC(=O)CCN1 G-6964 [0,1,0,1,0,0|1,0,0]=3 793 B8R1.4 C[C@H]1CC(=O)CCN1 G-7640 [0,1,0,1,0,0|1,0,0]=3 794 B8R1.4 C[C@H]1CC(=O)CCN1 Q61425 [0,1,0,1,0,0|1,0,0]=3 795 B8R1.4 C[C@H]1CC(=O)CCO1 A-837 [0,1,0,1,0,0|1,0,0]=3 796 B8R1.4 C[C@H]1CCC[C@@H](N)C1 P45360 [0,1,0,1,0,0|1,0,1]=4 797 B8R1.4 C[C@H]1CCC[C@@H](O)C1 P45893 [0,1,0,1,0,0|0,0,2]=4 798 B8R1.4 C[C@H]1CCC[C@H](C)N1 Q65229 [0,1,0,1,0,0|1,0,1]=4 799 B8R1.4 C[C@H]1CCC[C@H](C)N1 Q65230 [0,1,0,1,0,0|1,0,1]=4 800 B8R1.4 C[C@H]1CCC[C@H](N)C1 P45361 [0,1,0,1,0,0|1,0,1]=4 801 B8R1.4 C[C@H]1CCC[C@H](O)C1 P45546 [0,1,0,1,0,0|0,0,2]=4 802 B8R1.4 C[C@H]1CNCC(=O)N1 G-7098 [0,1,0,1,0,0|1,0,0]=3 803 B8R1.4 C[C@H]1CNCC(=O)N1 H-8010 [0,1,0,1,0,0|1,0,0]=3 804 B8R1.4 C[C@H]1C[C@@H](F)CCN1 Q63704 [0,1,0,1,0,0|2,0,0]=4 805 B8R1.4 C[C@H]1C[C@@H](O)CCN1 G-6430 [0,1,0,1,0,0|2,0,0]=4 806 B8R1.4 C[C@H]1C[C@@H](O)CCN1 Q56467 [0,1,0,1,0,0|2,0,0]=4 807 B8R1.4 NC1CCCC(=O)C1 P48005 [0,1,0,1,0,0|1,0,0]=3 808 B8R1.4 NC1CCNC(=O)C1 C-2485 [0,1,0,1,0,0|2,0,0]=4 809 B8R1.4 NC1COCC(=O)C1 P46448 [0,1,0,1,0,0|2,0,0]=4 810 B8R1.4 NC1COCC(=O)C1 Q61511 [0,1,0,1,0,0|2,0,0]=4 811 B8R1.4 O=C1CC(F)CCN1 Q54422 [0,1,0,1,0,0|2,0,0]=4 812 B8R1.4 O=C1CCCC(=O)C1 P44675 [0,1,0,1,0,0|1,0,1]=4 813 B8R1.4 O=C1CCCC(Br)C1 P45384 [0,1,0,1,0,0|1,0,0]=3 814 B8R1.4 O=C1CCCC(F)C1 P43987 [0,1,0,1,0,0|1,0,0]=3 815 B8R1.4 O=C1CCCC(O)C1 L18346 [0,1,0,1,0,0|1,0,0]=3 816 B8R1.4 O=C1CCC[C@H](O)C1 P47405 [0,1,0,1,0,0|1,0,0]=3 817 B8R1.4 O=C1COCC(F)C1 Q54617 [0,1,0,1,0,0|2,0,0]=4 818 B8R1.4 O=C1COCC(O)C1 Q54616 [0,1,0,1,0,0|2,0,0]=4 819 B8R1.4 O=S1CCCC(Br)C1 Q57991 [0,1,0,1,0,0|1,0,1]=4 820 B8R1.18 CN1CC(=O)CC1=O Q55049 [0,1,0,1,0,0|1,0,1]=4 821 B8R1.18 CN1CC(N)CC1=O I-9643 [0,1,0,1,0,0|1,0,0]=3 822 B8R1.18 CN1CC(O)CC1=O Q59318 [0,1,0,1,0,0|1,0,0]=3 823 B8R1.34 CC(C)CC1CNC1 P44917 [0,1,0,1,0,0|1,0,1]=4 824 B8R1.43 N#CC1CC1C(=O)O P43783 [0,1,0,1,0,0|1,0,1]=4 825 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O L14217 [0,1,0,1,0,0|1,0,1]=4 826 B8R1.43 N#C[C@H]1C[C@H]1C(=O)O L22404 [0,1,0,1,0,0|1,0,1]=4 827 B8R1.43 NCC1CC1C(=O)O Q52566 [0,1,0,1,0,0|1,0,0]=3 828 B8R1.51 CC1CC(C)(C)CN1 Q57412 [0,1,0,1,0,0|1,0,1]=4 829 B8R1.53 CC1(C)CC(C#N)C1 P45501 [0,1,0,1,0,0|1,0,1]=4 830 B8R1.53 CC1(C)CC(CBr)C1 L21479 [0,1,0,1,0,0|1,0,1]=4 831 B8R1.53 CC1(C)CC(CN)C1 L13111 [0,1,0,1,0,0|1,0,1]=4 832 B8R1.53 CC1(C)CC(CN)C1 P43805 [0,1,0,1,0,0|1,0,1]=4 833 B8R1.53 CC1(C)CC(CO)C1 L13723 [0,1,0,1,0,0|0,0,2]=4 834 B8R1.53 CC1(C)CC(NN)C1 P50574 [0,1,0,1,0,0|2,0,0]=4 835 B8R1.53 CC1(O)CC(CN)C1 P43903 [0,1,0,1,0,0|1,0,1]=4 836 B8R1.53 CC1(O)CC(CN)C1 P45971 [0,1,0,1,0,0|1,0,1]=4 837 B8R1.53 C[C@]1(O)C[C@@H](CN)C1 L13403 [0,1,0,1,0,0|1,0,1]=4 838 B8R1.53 C[C@]1(O)C[C@H](CN)C1 G-7983 [0,1,0,1,0,0|1,0,1]=4 839 B8R1.53 C[C@]1(O)C[C@H](CN)C1 P50097 [0,1,0,1,0,0|1,0,1]=4 840 B8R1.53 O=CC1CC(F)(F)C1 O34012 [0,1,0,1,0,0|1,0,0]=3 841 B8R1.62 C[C@]1(CO)C[C@@H](N)C1 P50499 [0,1,0,1,0,0|0,0,2]=4 842 B8R1.2 BrCC1=CCCCC1 G-7545 [0,1,0,1,0,0|1,0,1]=4 843 B8R1.2 BrCC1CCCNC1 Q55055 [0,1,0,1,0,0|1,0,1]=4 844 B8R1.2 BrCC1CCCOC1 G-6343 [0,1,0,1,0,0|0,0,2]=4 845 B8R1.2 BrCC1CCNCC1 L21509 [0,1,0,1,0,0|1,0,1]=4 846 B8R1.2 BrCC1CCOCC1 G-5150 [0,1,0,1,0,0|1,0,1]=4 847 B8R1.2 BrCC1CCSCC1 O29933 [0,1,0,1,0,0|1,0,1]=4 848 B8R1.2 BrC[C@@H]1CCCNC1 Q55056 [0,1,0,1,0,0|1,0,1]=4 849 B8R1.2 BrC[C@@H]1CCCOC1 Q62734 [0,1,0,1,0,0|0,0,2]=4 850 B8R1.2 BrC[C@H]1CCCNC1 Q55057 [0,1,0,1,0,0|1,0,1]=4 851 B8R1.2 BrC[C@H]1CCCOC1 Q62735 [0,1,0,1,0,0|0,0,2]=4 852 B8R1.2 C#CC1CCCCN1 O30119 [0,1,0,1,0,0|1,0,1]=4 853 B8R1.2 C#CC1CCCCO1 Q62780 [0,1,0,1,0,0|1,0,1]=4 854 B8R1.2 C#CC1CCCNC1 L13025 [0,1,0,1,0,0|1,0,1]=4 855 B8R1.2 C#CC1CCCNC1 Q56306 [0,1,0,1,0,0|1,0,1]=4 856 B8R1.2 C#CC1CCCOC1 Q56322 [0,1,0,1,0,0|1,0,1]=4 857 B8R1.2 C#CC1CCNCC1 I-9267 [0,1,0,1,0,0|1,0,1]=4 858 B8R1.2 C#CC1CCNCC1 Q56307 [0,1,0,1,0,0|1,0,1]=4 859 B8R1.2 C#CC1CCOCC1 C-3588 [0,1,0,1,0,0|1,0,1]=4 860 B8R1.2 C#CC1CCSCC1 O32975 [0,1,0,1,0,0|1,0,1]=4 861 B8R1.2 C#C[C@@H]1CCCCO1 Q62782 [0,1,0,1,0,0|1,0,1]=4 862 B8R1.2 C#C[C@H]1CCCCO1 Q62781 [0,1,0,1,0,0|1,0,1]=4 863 B8R1.2 C=CC1CCOCC1 Q57821 [0,1,0,1,0,0|1,0,0]=3 864 B8R1.2 CCC1CCNCC1 P41021 [0,1,0,1,0,0|1,0,1]=4 865 B8R1.2 CC[C@@H]1CCCCN1 Q54717 [0,1,0,1,0,0|1,0,1]=4 866 B8R1.2 CC[C@@H]1CCCNC1 Q61422 [0,1,0,1,0,0|1,0,1]=4 867 B8R1.2 CC[C@H]1CCCNC1 Q61421 [0,1,0,1,0,0|1,0,1]=4 868 B8R1.2 CNC1CCCNC1 K10899 [0,1,0,1,0,0|1,0,1]=4 869 B8R1.2 CNC1CCCSC1 Q57932 [0,1,0,1,0,0|0,1,1]=4 870 B8R1.2 CNC1CCCSC1 Q57933 [0,1,0,1,0,0|0,1,1]=4 871 B8R1.2 CNC1CCNCC1 L21525 [0,1,0,1,0,0|2,0,0]=4 872 B8R1.2 CNC1CCOCC1 G-5151 [0,1,0,1,0,0|2,0,0]=4 873 B8R1.2 CN[C@@H]1CCCOC1 Q55431 [0,1,0,1,0,0|0,0,2]=4 874 B8R1.2 CN[C@H]1CCCOC1 Q55432 [0,1,0,1,0,0|0,0,2]=4 875 B8R1.2 COC1CCCNC1 C-3504 [0,1,0,1,0,0|1,0,1]=4 876 B8R1.2 COC1CCCNC1 M22805 [0,1,0,1,0,0|1,0,1]=4 877 B8R1.2 COC1CCNCC1 C-2394 [0,1,0,1,0,0|2,0,0]=4 878 B8R1.2 COC1CCNCC1 C-3203 [0,1,0,1,0,0|2,0,0]=4 879 B8R1.2 CO[C@@H]1CCCNC1 G-7538 [0,1,0,1,0,0|1,0,1]=4 880 B8R1.2 CO[C@@H]1CCCNC1 L13637 [0,1,0,1,0,0|1,0,1]=4 881 B8R1.2 CO[C@H]1CCCNC1 G-5239 [0,1,0,1,0,0|1,0,1]=4 882 B8R1.2 CO[C@H]1CCCNC1 L21633 [0,1,0,1,0,0|1,0,1]=4 883 B8R1.2 CSC1CCCNC1 H-8554 [0,1,0,1,0,0|1,0,1]=4 884 B8R1.2 CSC1CCNCC1 C-2200 [0,1,0,1,0,0|2,0,0]=4 885 B8R1.2 ClCC1CCNCC1 L21584 [0,1,0,1,0,0|1,0,1]=4 886 B8R1.2 FCC1CCCCN1 Q52081 [0,1,0,1,0,0|1,0,1]=4 887 B8R1.2 FCC1CCCNC1 M23801 [0,1,0,1,0,0|1,0,1]=4 888 B8R1.2 FCC1CCNCC1 L13946 [0,1,0,1,0,0|1,0,1]=4 889 B8R1.2 FC[C@@H]1CCCCN1 Q52082 [0,1,0,1,0,0|1,0,1]=4 890 B8R1.2 FC[C@@H]1CCCNC1 Q65004 [0,1,0,1,0,0|1,0,1]=4 891 B8R1.2 FC[C@H]1CCCCN1 Q52083 [0,1,0,1,0,0|1,0,1]=4 892 B8R1.2 FC[C@H]1CCCNC1 Q65002 [0,1,0,1,0,0|1,0,1]=4 893 B8R1.2 ICC1CCOCC1 C-3412 [0,1,0,1,0,0|1,0,1]=4 894 B8R1.2 N#CC1CCCCC1 P45205 [0,1,0,1,0,0|1,0,1]=4 895 B8R1.2 N#CC1CCCCN1 A-125 [0,1,0,1,0,0|1,0,1]=4 896 B8R1.2 N#CC1CCCCS1 Q57985 [0,1,0,1,0,0|1,0,1]=4 897 B8R1.2 N#CC1CCCNC1 A-124 [0,1,0,1,0,0|1,0,1]=4 898 B8R1.2 N#CC1CCCNC1 G-5248 [0,1,0,1,0,0|1,0,1]=4 899 B8R1.2 N#CC1CCCOC1 Q54972 [0,1,0,1,0,0|1,0,1]=4 900 B8R1.2 N#CC1CCNCC1 A-123 [0,1,0,1,0,0|1,0,1]=4 901 B8R1.2 N#CC1CCOCC1 C-3419 [0,1,0,1,0,0|1,0,1]=4 902 B8R1.2 N#CC1CCSCC1 L14051 [0,1,0,1,0,0|1,0,1]=4 903 B8R1.2 N#C[C@@H]1CCCCN1 L18519 [0,1,0,1,0,0|1,0,1]=4 904 B8R1.2 N#C[C@@H]1CCCCN1 O33498 [0,1,0,1,0,0|1,0,1]=4 905 B8R1.2 N#C[C@@H]1CCCCN1 Q52040 [0,1,0,1,0,0|1,0,1]=4 906 B8R1.2 N#C[C@@H]1CCCNC1 L14278 [0,1,0,1,0,0|1,0,1]=4 907 B8R1.2 N#C[C@@H]1CCCNC1 P50463 [0,1,0,1,0,0|1,0,1]=4 908 B8R1.2 N#C[C@@H]1CCCNC1 Q65261 [0,1,0,1,0,0|1,0,1]=4 909 B8R1.2 N#C[C@H]1CCCCN1 O33248 [0,1,0,1,0,0|1,0,1]=4 910 B8R1.2 N#C[C@H]1CCCCN1 Q52041 [0,1,0,1,0,0|1,0,1]=4 911 B8R1.2 N#C[C@H]1CCCCN1 Q52042 [0,1,0,1,0,0|1,0,1]=4 912 B8R1.2 N#C[C@H]1CCCNC1 L14298 [0,1,0,1,0,0|1,0,1]=4 913 B8R1.2 N#C[C@H]1CCCNC1 Q65260 [0,1,0,1,0,0|1,0,1]=4 914 B8R1.2 NCC1=CCCCC1 P38792 [0,1,0,1,0,0|1,0,1]=4 915 B8R1.2 NCC1CCCCS1 Q57980 [0,1,0,1,0,0|1,0,1]=4 916 B8R1.2 NCC1CCCOC1 L21850 [0,1,0,1,0,0|0,0,2]=4 917 B8R1.2 NCC1CCCSC1 Q57994 [0,1,0,1,0,0|0,1,1]=4 918 B8R1.2 NCC1CCOCC1 C-3413 [0,1,0,1,0,0|1,0,1]=4 919 B8R1.2 NCC1CCSCC1 I-9299 [0,1,0,1,0,0|1,0,1]=4 920 B8R1.2 NCC1CCSCC1 O30354 [0,1,0,1,0,0|1,0,1]=4 921 B8R1.2 NC[C@@H]1CCCCO1 Q62567 [0,1,0,1,0,0|1,0,1]=4 922 B8R1.2 NC[C@@H]1CCCOC1 L18118 [0,1,0,1,0,0|0,0,2]=4 923 B8R1.2 NC[C@@H]1CCCOC1 Q56432 [0,1,0,1,0,0|0,0,2]=4 924 B8R1.2 NC[C@H]1CCCCO1 Q62568 [0,1,0,1,0,0|1,0,1]=4 925 B8R1.2 NC[C@H]1CCCOC1 L18117 [0,1,0,1,0,0|0,0,2]=4 926 B8R1.2 NC[C@H]1CCCOC1 Q56431 [0,1,0,1,0,0|0,0,2]=4 927 B8R1.2 NNC1CCCNC1 O31292 [0,1,0,1,0,0|2,0,0]=4 928 B8R1.2 NNC1CCCNC1 O31297 [0,1,0,1,0,0|2,0,0]=4 929 B8R1.2 NNC1CCCOC1 Q52422 [0,1,0,1,0,0|2,0,0]=4 930 B8R1.2 NNC1CCCOC1 Q52423 [0,1,0,1,0,0|2,0,0]=4 931 B8R1.2 NNC1CCNCC1 O29960 [0,1,0,1,0,0|2,0,0]=4 932 B8R1.2 NNC1CCNCC1 O31367 [0,1,0,1,0,0|2,0,0]=4 933 B8R1.2 NNC1CCNCC1 Q57490 [0,1,0,1,0,0|2,0,0]=4 934 B8R1.2 NNC1CCOCC1 C-3567 [0,1,0,1,0,0|2,0,0]=4 935 B8R1.2 NNC1CCOCC1 O31822 [0,1,0,1,0,0|2,0,0]=4 936 B8R1.2 NNC1CCOCC1 Q62217 [0,1,0,1,0,0|2,0,0]=4 937 B8R1.2 NNC1CCSCC1 O31250 [0,1,0,1,0,0|2,0,0]=4 938 B8R1.2 NOC1CCOCC1 Q57828 [0,1,0,1,0,0|2,0,0]=4 939 B8R1.2 O=CC1CCCCO1 Q60246 [0,1,0,1,0,0|0,0,0]=2 940 B8R1.2 O=CC1CCNCC1 O30562 [0,1,0,1,0,0|0,0,0]=2 941 B8R1.2 O=CC1CCOCC1 C-3265 [0,1,0,1,0,0|0,0,0]=2 942 B8R1.2 O=CC1CCSCC1 O32574 [0,1,0,1,0,0|0,0,0]=2 943 B8R1.2 OCC1CCCCS1 Q57888 [0,1,0,1,0,0|0,0,2]=4 944 B8R1.2 OCC1CCCOC1 F-4498 [0,1,0,1,0,0|0,0,2]=4 945 B8R1.2 OCC1CCCSC1 Q57993 [0,1,0,1,0,0|0,0,2]=4 946 B8R1.2 OCC1CCOCC1 C-3562 [0,1,0,1,0,0|0,0,2]=4 947 B8R1.2 OCC1CCSCC1 O31147 [0,1,0,1,0,0|0,0,2]=4 948 B8R1.2 OC[C@@H]1CCCCN1 M23455 [0,1,0,1,0,0|0,0,2]=4 949 B8R1.2 OC[C@@H]1CCCCO1 F-4789 [0,1,0,1,0,0|0,0,2]=4 950 B8R1.2 OC[C@@H]1CCCNC1 P44488 [0,1,0,1,0,0|0,0,2]=4 951 B8R1.2 OC[C@@H]1CCCOC1 P43927 [0,1,0,1,0,0|0,0,2]=4 952 B8R1.2 OC[C@H]1CCCCN1 M23615 [0,1,0,1,0,0|0,0,2]=4 953 B8R1.2 OC[C@H]1CCCCO1 P43928 [0,1,0,1,0,0|0,0,2]=4 954 B8R1.2 OC[C@H]1CCCNC1 O31559 [0,1,0,1,0,0|0,0,2]=4 955 B8R1.2 OC[C@H]1CCCNC1 P41232 [0,1,0,1,0,0|0,0,2]=4 956 B8R1.2 OC[C@H]1CCCOC1 P43926 [0,1,0,1,0,0|0,0,2]=4 957 B8R1.3 CC1C=CC(=O)CC1 K12331 [0,1,0,1,0,0|1,0,1]=4 958 B8R1.3 CC1CCC(F)CN1 Q64642 [0,1,0,1,0,0|2,0,0]=4 959 B8R1.3 CC1CCC(O)CN1 Q61256 [0,1,0,1,0,0|2,0,0]=4 960 B8R1.3 CC1CCC(O)CN1 Q61257 [0,1,0,1,0,0|2,0,0]=4 961 B8R1.3 CC1COC(C)CN1 P42779 [0,1,0,1,0,0|0,0,2]=4 962 B8R1.3 C[C@@H]1CC[C@@H](O)CN1 Q56745 [0,1,0,1,0,0|2,0,0]=4 963 B8R1.3 C[C@@H]1CC[C@H](O)CN1 P45650 [0,1,0,1,0,0|2,0,0]=4 964 B8R1.3 C[C@@H]1CC[C@H](O)CN1 Q56748 [0,1,0,1,0,0|2,0,0]=4 965 B8R1.3 C[C@@H]1CC[C@H](O)CN1 Q56749 [0,1,0,1,0,0|2,0,0]=4 966 B8R1.3 C[C@@H]1CO[C@H](C)CN1 H-8048 [0,1,0,1,0,0|0,0,2]=4 967 B8R1.3 C[C@@H]1CO[C@H](C)CN1 K16121 [0,1,0,1,0,0|0,0,2]=4 968 B8R1.3 C[C@H]1CC[C@@H](O)CN1 P50092 [0,1,0,1,0,0|2,0,0]=4 969 B8R1.3 C[C@H]1CC[C@@H](O)CN1 Q56719 [0,1,0,1,0,0|2,0,0]=4 970 B8R1.3 C[C@H]1CC[C@H](N)CC1 P45887 [0,1,0,1,0,0|1,0,1]=4 971 B8R1.3 C[C@H]1CC[C@H](O)CN1 Q56728 [0,1,0,1,0,0|2,0,0]=4 972 B8R1.3 C[C@H]1CC[C@H](O)CN1 Q56729 [0,1,0,1,0,0|2,0,0]=4 973 B8R1.3 C[C@H]1CN[C@@H](C)CN1 G-7097 [0,1,0,1,0,0|1,0,1]=4 974 B8R1.3 C[C@H]1CN[C@H](C)CO1 F-4331 [0,1,0,1,0,0|0,0,2]=4 975 B8R1.3 C[C@H]1CO[C@@H](C)CN1 M23096 [0,1,0,1,0,0|0,0,2]=4 976 B8R1.3 C[C@H]1CO[C@@H](C)CN1 O32398 [0,1,0,1,0,0|0,0,2]=4 977 B8R1.3 C[C@H]1CO[C@H](C)CN1 H-8444 [0,1,0,1,0,0|0,0,2]=4 978 B8R1.5 CC1CCCNC1=O L13669 [0,1,0,1,0,0|0,0,0]=2 979 B8R1.5 CC1CCNCC1=O F-4040 [0,1,0,1,0,0|0,0,0]=2 980 B8R1.5 CC1CCNCC1C Q59916 [0,1,0,1,0,0|1,0,1]=4 981 B8R1.5 CC1CCNCC1F Q59913 [0,1,0,1,0,0|1,0,1]=4 982 B8R1.5 CC1CCNCC1O F-4041 [0,1,0,1,0,0|0,0,2]=4 983 B8R1.5 CC1CCNCC1O G-7991 [0,1,0,1,0,0|0,0,2]=4 984 B8R1.5 CC1CNCCC1=O O34502 [0,1,0,1,0,0|0,0,0]=2 985 B8R1.5 CC1CNCCC1F Q54399 [0,1,0,1,0,0|1,0,1]=4 986 B8R1.5 CC1CNCCC1F Q54400 [0,1,0,1,0,0|1,0,1]=4 987 B8R1.5 CC1CNCCC1O I-9227 [0,1,0,1,0,0|0,0,2]=4 988 B8R1.5 CC1COCCC1=O F-4697 [0,1,0,1,0,0|0,0,0]=2 989 B8R1.5 CC1NCCCC1O Q61133 [0,1,0,1,0,0|0,0,2]=4 990 B8R1.5 CC1NCCNC1=O O34501 [0,1,0,1,0,0|1,0,0]=3 991 B8R1.5 CN1CCNCC1=O G-5499 [0,1,0,1,0,0|1,0,0]=3 992 B8R1.5 CN1CCNCC1=O G-5499-1 [0,1,0,1,0,0|1,0,0]=3 993 B8R1.5 C[C@@H]1CCCC[C@@H]1N O34546 [0,1,0,1,0,0|1,0,1]=4 994 B8R1.5 C[C@@H]1CCCC[C@@H]1N P46167 [0,1,0,1,0,0|1,0,1]=4 995 B8R1.5 C[C@@H]1CCCC[C@H]1N P44819 [0,1,0,1,0,0|1,0,1]=4 996 B8R1.5 C[C@@H]1CCCC[C@H]1N P44820 [0,1,0,1,0,0|1,0,1]=4 997 B8R1.5 C[C@@H]1CCCC[C@H]1N P45791 [0,1,0,1,0,0|1,0,1]=4 998 B8R1.5 C[C@@H]1CCCN[C@@H]1C P45337 [0,1,0,1,0,0|1,0,1]=4 999 B8R1.5 C[C@@H]1CCCN[C@@H]1C Q61336 [0,1,0,1,0,0|1,0,1]=4 1000 B8R1.5 C[C@@H]1CCNC[C@@H]1O G-6540 [0,1,0,1,0,0|0,0,2]=4 1001 B8R1.5 C[C@@H]1CCNC[C@@H]1O Q56504 [0,1,0,1,0,0|0,0,2]=4 1002 B8R1.5 C[C@@H]1CCNC[C@H]1O Q56503 [0,1,0,1,0,0|0,0,2]=4 1003 B8R1.5 C[C@@H]1CNCCN1C G-7636 [0,1,0,1,0,0|2,0,0]=4 1004 B8R1.5 C[C@@H]1CNCCN1C L21507 [0,1,0,1,0,0|2,0,0]=4 1005 B8R1.5 C[C@@H]1CNCC[C@@H]1F Q53340 [0,1,0,1,0,0|1,0,1]=4 1006 B8R1.5 C[C@@H]1CNCC[C@H]1F Q53341 [0,1,0,1,0,0|1,0,1]=4 1007 B8R1.5 C[C@@H]1CNCC[C@H]1O L21732 [0,1,0,1,0,0|0,0,2]=4 1008 B8R1.5 C[C@@H]1CNCC[C@H]1O Q65201 [0,1,0,1,0,0|0,0,2]=4 1009 B8R1.5 C[C@@H]1COCC[C@@H]1N Q52400 [0,1,0,1,0,0|0,0,2]=4 1010 B8R1.5 C[C@@H]1COCC[C@H]1N O33010 [0,1,0,1,0,0|0,0,2]=4 1011 B8R1.5 C[C@@H]1COCC[C@H]1N Q56430 [0,1,0,1,0,0|0,0,2]=4 1012 B8R1.5 C[C@@H]1NCCC[C@@H]1O Q61250 [0,1,0,1,0,0|0,0,2]=4 1013 B8R1.5 C[C@@H]1NCCC[C@H]1O Q61249 [0,1,0,1,0,0|0,0,2]=4 1014 B8R1.5 C[C@@H]1NCCNC1=O O34331 [0,1,0,1,0,0|1,0,0]=3 1015 B8R1.5 C[C@H]1CCCC[C@@H]1N P45803 [0,1,0,1,0,0|1,0,1]=4 1016 B8R1.5 C[C@H]1CCCC[C@@H]1N P49914 [0,1,0,1,0,0|1,0,1]=4 1017 B8R1.5 C[C@H]1CCCC[C@H]1N O34572 [0,1,0,1,0,0|1,0,1]=4 1018 B8R1.5 C[C@H]1CCCC[C@H]1N P45166 [0,1,0,1,0,0|1,0,1]=4 1019 B8R1.5 C[C@H]1CCNC[C@@H]1O G-6539 [0,1,0,1,0,0|0,0,2]=4 1020 B8R1.5 C[C@H]1CNCCN1C G-7100 [0,1,0,1,0,0|2,0,0]=4 1021 B8R1.5 C[C@H]1CNCCN1C L14176 [0,1,0,1,0,0|2,0,0]=4 1022 B8R1.5 C[C@H]1CNCC[C@@H]1O Q65202 [0,1,0,1,0,0|0,0,2]=4 1023 B8R1.5 C[C@H]1COCC[C@@H]1N G-7933 [0,1,0,1,0,0|0,0,2]=4 1024 B8R1.5 C[C@H]1COCC[C@H]1N G-7268 [0,1,0,1,0,0|0,0,2]=4 1025 B8R1.5 C[C@H]1COCC[C@H]1N Q52399 [0,1,0,1,0,0|0,0,2]=4 1026 B8R1.5 C[C@H]1NCCC[C@@H]1O Q61135 [0,1,0,1,0,0|0,0,2]=4 1027 B8R1.5 C[C@H]1NCCC[C@@H]1O Q61248 [0,1,0,1,0,0|0,0,2]=4 1028 B8R1.5 C[C@H]1NCCC[C@H]1O Q61134 [0,1,0,1,0,0|0,0,2]=4 1029 B8R1.5 C[C@H]1NCCC[C@H]1O Q61251 [0,1,0,1,0,0|0,0,2]=4 1030 B8R1.5 C[C@H]1NCCNC1=O O34330 [0,1,0,1,0,0|1,0,0]=3 1031 B8R1.5 NC1CCCCC1=O P45934 [0,1,0,1,0,0|1,0,0]=3 1032 B8R1.5 NN1CCCCC1=O B-1138 [0,1,0,1,0,0|2,0,0]=4 1033 B8R1.5 N[C@@H]1CCCNC1=O O34375 [0,1,0,1,0,0|1,0,0]=3 1034 B8R1.5 N[C@H]1CCCNC1=O O34462 [0,1,0,1,0,0|1,0,0]=3 1035 B8R1.5 O=C1CCCCC1Br L21639 [0,1,0,1,0,0|1,0,0]=3 1036 B8R1.5 O=C1CCCCC1F P45307 [0,1,0,1,0,0|1,0,0]=3 1037 B8R1.5 O=C1CCCNC1=O S72799 [0,1,0,1,0,0|1,0,1]=4 1038 B8R1.5 O=C1CCNCC1Br Q52493 [0,1,0,1,0,0|1,0,0]=3 1039 B8R1.5 O=C1CCNCC1F G-7340 [0,1,0,1,0,0|1,0,0]=3 1040 B8R1.5 O=C1CCNCC1F Q56501 [0,1,0,1,0,0|1,0,0]=3 1041 B8R1.5 O=C1CCOCC1Br C-3416 [0,1,0,1,0,0|1,0,0]=3 1042 B8R1.5 O=C1CCOCC1F G-7272 [0,1,0,1,0,0|1,0,0]=3 1043 B8R1.5 O=C1CCOC[C@H]1F Q52309 [0,1,0,1,0,0|1,0,0]=3 1044 B8R1.5 O=C1COCCC1Br Q54651 [0,1,0,1,0,0|1,0,0]=3 1045 B8R1.5 O=C1NCCCC1Br L18696 [0,1,0,1,0,0|1,0,0]=3 1046 B8R1.5 O=C1NCCC[C@@H]1O P36280 [0,1,0,1,0,0|1,0,0]=3 1047 B8R1.5 O=C1NCCC[C@H]1O P39619 [0,1,0,1,0,0|1,0,0]=3 1048 B8R1.5 O=C1OCCCC1Br L20669 [0,1,0,1,0,0|1,0,0]=3 1049 B8R1.10 CCCNC1CNC1 P48003 [0,1,0,1,0,0|1,0,1]=4 1050 B8R1.10 CCCOC1CNC1 O30745 [0,1,0,1,0,0|1,0,1]=4 1051 B8R1.10 CCCOC1CNC1 P44923 [0,1,0,1,0,0|1,0,1]=4 1052 B8R1.10 CCNCC1CCC1 P45276 [0,1,0,1,0,0|1,0,1]=4 1053 B8R1.10 CCNCC1CCC1 P45868 [0,1,0,1,0,0|1,0,1]=4 1054 B8R1.10 CCNCC1CNC1 P44880 [0,1,0,1,0,0|1,0,1]=4 1055 B8R1.10 CCOCC1CNC1 P44922 [0,1,0,1,0,0|1,0,1]=4 1056 B8R1.10 CNCCC1CCC1 P34701 [0,1,0,1,0,0|1,0,1]=4 1057 B8R1.10 COCCC1CNC1 P44773 [0,1,0,1,0,0|1,0,1]=4 1058 B8R1.10 COCCC1CNC1 P44774 [0,1,0,1,0,0|1,0,1]=4 1059 B8R1.10 NCCCC1CCC1 P35867 [0,1,0,1,0,0|1,0,1]=4 1060 B8R1.10 OCCCC1CNC1 P48483 [0,1,0,1,0,0|1,0,1]=4 1061 B8R1.10 OCCCC1COC1 Q54775 [0,1,0,1,0,0|0,0,2]=4 1062 B8R1.22 CC1CCNCCN1 L14127 [0,1,0,1,0,0|2,0,0]=4 1063 B8R1.38 C=CC(C)N1CCC1 P45333 [0,1,0,1,0,0|1,0,0]=3 1064 B8R1.38 CC(CN)C1CCO1 Q56203 [0,1,0,1,0,0|1,0,1]=4 1065 B8R1.38 CC(CN)C1COC1 Q55850 [0,1,0,1,0,0|1,0,1]=4 1066 B8R1.38 CC(CO)C1CCO1 O32942 [0,1,0,1,0,0|0,0,2]=4 1067 B8R1.38 CC(CO)C1CNC1 P50152 [0,1,0,1,0,0|0,0,2]=4 1068 B8R1.38 CC(CO)C1COC1 Q55849 [0,1,0,1,0,0|0,0,2]=4 1069 B8R1.38 CC(CO)N1CCC1 P46846 [0,1,0,1,0,0|0,0,2]=4 1070 B8R1.38 CCC(F)C1CNC1 P47119 [0,1,0,1,0,0|1,0,1]=4 1071 B8R1.38 CCC(O)C1CCC1 P48473 [0,1,0,1,0,0|1,0,1]=4 1072 B8R1.38 CCC(O)C1COC1 Q56141 [0,1,0,1,0,0|0,0,2]=4 1073 B8R1.38 CNC(C)C1CCC1 P48247 [0,1,0,1,0,0|2,0,0]=4 1074 B8R1.38 C[C@@H](CO)N1CCC1 P48675 [0,1,0,1,0,0|0,0,2]=4 1075 B8R1.47 CCN1CC(CN)C1 P44000 [0,1,0,1,0,0|1,0,1]=4 1076 B8R1.47 CCN1CC(CO)C1 P47028 [0,1,0,1,0,0|0,0,2]=4 1077 B8R1.47 CNC1CC(CO)C1 P47962 [0,1,0,1,0,0|0,0,2]=4 1078 B8R1.47 CN[C@H]1C[C@@H](CO)C1 P48959 [0,1,0,1,0,0|0,0,2]=4 1079 B8R1.47 CN[C@H]1C[C@H](CO)C1 P48831 [0,1,0,1,0,0|0,0,2]=4 1080 B8R1.47 COC1CC(C#N)C1 P47877 [0,1,0,1,0,0|1,0,1]=4 1081 B8R1.47 COC1CC(CN)C1 P44011 [0,1,0,1,0,0|1,0,1]=4 1082 B8R1.47 COC1CC(CO)C1 P45045 [0,1,0,1,0,0|0,0,2]=4 1083 B8R1.47 COC1CC(NN)C1 P47357 [0,1,0,1,0,0|2,0,0]=4 1084 B8R1.47 CO[C@H]1C[C@@H](C#N)C1 P45788 [0,1,0,1,0,0|1,0,1]=4 1085 B8R1.47 CO[C@H]1C[C@@H](CN)C1 L21686 [0,1,0,1,0,0|1,0,1]=4 1086 B8R1.47 CO[C@H]1C[C@@H](CN)C1 P43904 [0,1,0,1,0,0|1,0,1]=4 1087 B8R1.47 CO[C@H]1C[C@@H](CO)C1 P44710 [0,1,0,1,0,0|0,0,2]=4 1088 B8R1.47 CO[C@H]1C[C@@H](NN)C1 P46096 [0,1,0,1,0,0|2,0,0]=4 1089 B8R1.47 CO[C@H]1C[C@H](C#N)C1 P45787 [0,1,0,1,0,0|1,0,1]=4 1090 B8R1.47 CO[C@H]1C[C@H](CN)C1 O33186 [0,1,0,1,0,0|1,0,1]=4 1091 B8R1.47 CO[C@H]1C[C@H](CN)C1 P48158 [0,1,0,1,0,0|1,0,1]=4 1092 B8R1.47 CO[C@H]1C[C@H](CO)C1 P46301 [0,1,0,1,0,0|0,0,2]=4 1093 B8R1.47 CO[C@H]1C[C@H](NN)C1 P46108 [0,1,0,1,0,0|2,0,0]=4 1094 B8R1.47 N#CC1CC(CF)C1 P47148 [0,1,0,1,0,0|1,0,1]=4 1095 B8R1.47 N#CC1CC(CO)C1 P44253 [0,1,0,1,0,0|1,0,1]=4 1096 B8R1.47 NCC1CC(CO)C1 P46501 [0,1,0,1,0,0|0,0,2]=4 1097 B8R1.47 NC[C@H]1C[C@@H](CO)C1 P47261 [0,1,0,1,0,0|0,0,2]=4 1098 B8R1.47 NC[C@H]1C[C@H](CO)C1 P47260 [0,1,0,1,0,0|0,0,2]=4 1099 B8R1.47 OCC1CC(CO)C1 P44928 [0,1,0,1,0,0|0,0,2]=4 1100 B8R1.47 OC[C@H]1C[C@@H](CO)C1 P45903 [0,1,0,1,0,0|0,0,2]=4 1101 B8R1.47 OC[C@H]1C[C@H](CO)C1 P45192 [0,1,0,1,0,0|0,0,2]=4 1102 B8R1.50 CC1C(=O)CCN1C Q52697 [0,1,0,1,0,0|1,0,0]=3 1103 B8R1.50 CC1CCN(C)C1=O O30589 [0,1,0,1,0,0|0,0,0]=2 1104 B8R1.50 CN1CCC(=O)C1=O Q59432 [0,1,0,1,0,0|1,0,1]=4 1105 B8R1.50 CN1CCC(O)C1=O Q62094 [0,1,0,1,0,0|1,0,0]=3 1106 B8R1.50 CN1CC[C@@H](N)C1=O Q62091 [0,1,0,1,0,0|1,0,0]=3 1107 B8R1.50 CN1CC[C@@H](N)C1=O Q63628 [0,1,0,1,0,0|1,0,0]=3 1108 B8R1.50 CN1CC[C@H](N)C1=O Q62092 [0,1,0,1,0,0|1,0,0]=3 1109 B8R1.50 CN1CC[C@H](N)C1=O Q63629 [0,1,0,1,0,0|1,0,0]=3 1110 B8R1.50 CN1CC[N+](C)=C1F P40759 [0,1,0,1,0,0|2,0,0]=4 1111 B8R1.50 C[C@@H]1CC[C@@H](O)[C@H]1N Q53610 [0,1,0,1,0,0|1,0,1]=4 1112 B8R1.50 C[C@H]1CC[C@H](O)[C@@H]1N Q53609 [0,1,0,1,0,0|1,0,1]=4 1113 B8R1.50 N[C@@H]1C(=O)NC[C@H]1O Q53540 [0,1,0,1,0,0|2,0,0]=4 1114 B8R1.50 N[C@@H]1C(=O)NC[C@H]1O Q53541 [0,1,0,1,0,0|2,0,0]=4 1115 B8R1.52 C#CC1(O)CCCC1 P40546 [0,1,0,1,0,0|1,0,1]=4 1116 B8R1.52 CC1(C#N)CCNC1 L14571 [0,1,0,1,0,0|1,0,1]=4 1117 B8R1.52 CC1(C=O)CCCC1 Q57127 [0,1,0,1,0,0|0,0,0]=2 1118 B8R1.52 CC1(CN)CCCC1 Q59146 [0,1,0,1,0,0|1,0,1]=4 1119 B8R1.52 CC1(CN)CCCO1 G-6526 [0,1,0,1,0,0|1,0,1]=4 1120 B8R1.52 CC1(CN)CCCO1 O33458 [0,1,0,1,0,0|1,0,1]=4 1121 B8R1.52 CC1(CN)CCNC1 G-7781 [0,1,0,1,0,0|1,0,1]=4 1122 B8R1.52 CC1(CN)CCNC1 Q52200 [0,1,0,1,0,0|1,0,1]=4 1123 B8R1.52 CC1(CN)CCOC1 G-7380 [0,1,0,1,0,0|1,0,1]=4 1124 B8R1.52 CC1(CO)CCCC1 P38391 [0,1,0,1,0,0|0,0,2]=4 1125 B8R1.52 CC1(CO)CCCN1 S72618 [0,1,0,1,0,0|0,0,2]=4 1126 B8R1.52 CCC1(C)CCNC1 Q61657 [0,1,0,1,0,0|1,0,1]=4 1127 B8R1.52 C[C@@]1(CO)CCCN1 G-7385 [0,1,0,1,0,0|0,0,2]=4 1128 B8R1.52 C[C@]1(CO)CCCN1 G-7388 [0,1,0,1,0,0|0,0,2]=4 1129 B8R1.52 FC1(CBr)CCCC1 Q61871 [0,1,0,1,0,0|1,0,1]=4 1130 B8R1.52 N#CC1(N)CCCC1 P40815 [0,1,0,1,0,0|1,0,1]=4 1131 B8R1.52 N#CC1(O)CCCC1 P37734 [0,1,0,1,0,0|1,0,1]=4 1132 B8R1.52 NC1(CO)CCCC1 P42933 [0,1,0,1,0,0|0,0,2]=4 1133 B8R1.52 NCC1(F)CCCC1 O33113 [0,1,0,1,0,0|1,0,1]=4 1134 B8R1.52 NCC1(O)CCCC1 O33303 [0,1,0,1,0,0|1,0,1]=4 1135 B8R1.52 NCC1(O)CCCC1 Q52143 [0,1,0,1,0,0|1,0,1]=4 1136 B8R1.52 OCC1(F)CCCC1 Q57007 [0,1,0,1,0,0|0,0,2]=4 1137 B8R1.58 CC1(C#N)CCC1O P45813 [0,1,0,1,0,0|1,0,1]=4 1138 B8R1.7 CC(=O)C1CCCN1 P37169 [0,1,0,1,0,0|1,0,0]=3 1139 B8R1.7 CC(=O)C1CCCN1 Q61985 [0,1,0,1,0,0|1,0,0]=3 1140 B8R1.7 CC(=O)C1CCNC1 O31491 [0,1,0,1,0,0|1,0,0]=3 1141 B8R1.7 CC(=O)C1NCCS1 M15825 [0,1,0,1,0,0|2,0,0]=4 1142 B8R1.7 CC(=O)[C@@H]1CCCN1 Q61986 [0,1,0,1,0,0|1,0,0]=3 1143 B8R1.7 CC(=O)[C@@H]1CCCN1 Q62844 [0,1,0,1,0,0|1,0,0]=3 1144 B8R1.7 CC(=O)[C@H]1CCCN1 Q62845 [0,1,0,1,0,0|1,0,0]=3 1145 B8R1.7 CC(N)C1CCCC1 O30449 [0,1,0,1,0,0|1,0,1]=4 1146 B8R1.7 CC(N)C1CCCC1 O33618 [0,1,0,1,0,0|1,0,1]=4 1147 B8R1.7 C[C@H](N)C1CCCC1 Q59148 [0,1,0,1,0,0|1,0,1]=4 1148 B8R1.7 C[C@H](O)C1CCCC1 Q59154 [0,1,0,1,0,0|0,0,2]=4 1149 B8R1.7 NC(=O)C1CCCC1 P38833 [0,1,0,1,0,0|0,0,0]=2 1150 B8R1.7 NC(=O)C1CCCN1 P39079 [0,1,0,1,0,0|1,0,0]=3 1151 B8R1.7 NC(=O)C1CCCN1 P42514 [0,1,0,1,0,0|1,0,0]=3 1152 B8R1.7 NC(=O)C1CCNC1 G-5260 [0,1,0,1,0,0|1,0,0]=3 1153 B8R1.7 NC(=O)C1CCOC1 G-6625 [0,1,0,1,0,0|1,0,0]=3 1154 B8R1.7 NC(=O)[C@@H]1CCCN1 I-9393 [0,1,0,1,0,0|1,0,0]=3 1155 B8R1.7 NC(=O)[C@@H]1CCCN1 P45231 [0,1,0,1,0,0|1,0,0]=3 1156 B8R1.7 NC(=O)[C@@H]1CCNC1 G-5262 [0,1,0,1,0,0|1,0,0]=3 1157 B8R1.7 NC(=O)[C@@H]1CCNC1 G-7539 [0,1,0,1,0,0|1,0,0]=3 1158 B8R1.7 NC(=O)[C@H]1CCNC1 G-5261 [0,1,0,1,0,0|1,0,0]=3 1159 B8R1.7 NC(=O)[C@H]1CCNC1 Q51836 [0,1,0,1,0,0|1,0,0]=3 1160 B8R1.7 O=C(O)C1CC=CC1 G-6381 [0,1,0,1,0,0|0,0,2]=4 1161 B8R1.7 O=C(O)C1CCNC1 G-5249 [0,1,0,1,0,0|1,0,0]=3 1162 B8R1.7 O=C(O)C1CCOC1 C-3386 [0,1,0,1,0,0|1,0,0]=3 1163 B8R1.7 O=C(O)C1SCCS1 L19481 [0,1,0,1,0,0|2,0,0]=4 1164 B8R1.7 O=C(O)[C@@H]1CCCN1 L13796 [0,1,0,1,0,0|1,0,0]=3 1165 B8R1.7 O=C(O)[C@@H]1CCNC1 L18435 [0,1,0,1,0,0|1,0,0]=3 1166 B8R1.7 O=C(O)[C@@H]1CCNC1 Q51834 [0,1,0,1,0,0|1,0,0]=3 1167 B8R1.7 O=C(O)[C@@H]1CCOC1 C-2786 [0,1,0,1,0,0|1,0,0]=3 1168 B8R1.7 O=C(O)[C@H]1CCNC1 G-5250 [0,1,0,1,0,0|1,0,0]=3 1169 B8R1.7 O=C(O)[C@H]1CCNC1 P45277 [0,1,0,1,0,0|1,0,0]=3 1170 B8R1.7 O=C(O)[C@H]1CCOC1 C-2785 [0,1,0,1,0,0|1,0,0]=3 1171 B8R1.7 O=[N+]([O-])C1CCNC1 Q64792 [0,1,0,1,0,0|2,0,0]=4 1172 B8R1.19 CC1(C)CCCC1=O L21296 [0,1,0,1,0,0|0,0,0]=2 1173 B8R1.19 CC1(C)CCCC1N Q62001 [0,1,0,1,0,0|1,0,1]=4 1174 B8R1.19 CC1(C)CCCC1O L20761 [0,1,0,1,0,0|0,0,2]=4 1175 B8R1.19 CC1(C)CCC[C@@H]1N Q63826 [0,1,0,1,0,0|1,0,1]=4 1176 B8R1.19 CC1(C)CCC[C@@H]1O Q63828 [0,1,0,1,0,0|0,0,2]=4 1177 B8R1.19 CC1(C)CCC[C@H]1N Q63827 [0,1,0,1,0,0|1,0,1]=4 1178 B8R1.19 CC1(C)CCC[C@H]1O Q63829 [0,1,0,1,0,0|0,0,2]=4 1179 B8R1.19 CC1(C)CCNC1=O O30964 [0,1,0,1,0,0|1,0,0]=3 1180 B8R1.19 CC1(C)OCCC1=O Q63498 [0,1,0,1,0,0|1,0,0]=3 1181 B8R1.19 CC1(F)CCCC1N Q54478 [0,1,0,1,0,0|1,0,1]=4 1182 B8R1.19 O=C1NCCC1(F)F L14522 [0,1,0,1,0,0|2,0,0]=4 1183 B8R1.23 C=C1CC(C(=O)O)C1 D-2502 [0,1,0,1,0,0|0,0,2]=4 1184 B8R1.23 CC(=O)C1CC(O)C1 H-8191 [0,1,0,1,0,0|1,0,0]=3 1185 B8R1.23 CC(=O)N1CC(N)C1 G-6033 [0,1,0,1,0,0|2,0,0]=4 1186 B8R1.23 CC(=O)N1CC(N)C1 P44093 [0,1,0,1,0,0|2,0,0]=4 1187 B8R1.23 CC(=O)N1CC(O)C1 L21515 [0,1,0,1,0,0|2,0,0]=4 1188 B8R1.23 CC1CC(C(=O)O)C1 L14063 [0,1,0,1,0,0|0,0,0]=2 1189 B8R1.23 CN1CC(C(=O)O)C1 C-2243 [0,1,0,1,0,0|1,0,0]=3 1190 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 G-6829 [0,1,0,1,0,0|0,0,0]=2 1191 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 G-6830 [0,1,0,1,0,0|0,0,0]=2 1192 B8R1.23 NC(=O)C1CC(N)C1 P48836 [0,1,0,1,0,0|1,0,0]=3 1193 B8R1.23 NC1CC(C(=O)O)C1 G-7780 [0,1,0,1,0,0|1,0,0]=3 1194 B8R1.23 NC1CC(C(=O)O)C1 P47808 [0,1,0,1,0,0|1,0,0]=3 1195 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 C-2277 [0,1,0,1,0,0|1,0,0]=3 1196 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 C-2277-1 [0,1,0,1,0,0|1,0,0]=3 1197 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 C-2278 [0,1,0,1,0,0|1,0,0]=3 1198 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 P44571 [0,1,0,1,0,0|1,0,0]=3 1199 B8R1.23 O=C(O)C1CC(Cl)C1 F-4598 [0,1,0,1,0,0|1,0,0]=3 1200 B8R1.23 O=C(O)C1CC(F)C1 D-2564 [0,1,0,1,0,0|1,0,0]=3 1201 B8R1.23 O=C(O)C1CC(O)C1 A-876 [0,1,0,1,0,0|1,0,0]=3 1202 B8R1.23 O=C(O)C1CC(O)C1 F-4100 [0,1,0,1,0,0|1,0,0]=3 1203 B8R1.23 O=C(O)C1CC(O)C1 F-4101 [0,1,0,1,0,0|1,0,0]=3 1204 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 L21925 [0,1,0,1,0,0|1,0,0]=3 1205 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 L14175 [0,1,0,1,0,0|1,0,0]=3 1206 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 L21353 [0,1,0,1,0,0|1,0,0]=3 1207 B8R1.23 O=C1CC(C(=O)O)C1 D-2503 [0,1,0,1,0,0|1,0,1]=4 1208 B8R1.54 NC(=O)C(N)C1CC1 L20769 [0,1,0,1,0,0|1,0,0]=3 1209 B8R1.54 NC(C(=O)O)C1CC1 O27895 [0,1,0,1,0,0|1,0,0]=3 1210 B8R1.54 N[C@@H](C(=O)O)C1CC1 G-5951 [0,1,0,1,0,0|1,0,0]=3 1211 B8R1.54 N[C@H](C(=O)O)C1CC1 O28968 [0,1,0,1,0,0|1,0,0]=3 1212 B8R1.78 CC(=O)C1(C)COC1 C-2927 [0,1,0,1,0,0|1,0,0]=3 1213 B8R1.78 CC(=O)C1(F)CNC1 P50378 [0,1,0,1,0,0|2,0,0]=4 1214 B8R1.78 CC1(C(=O)O)CCC1 G-6550 [0,1,0,1,0,0|0,0,0]=2 1215 B8R1.78 CC1(C(=O)O)CCN1 P50169 [0,1,0,1,0,0|1,0,0]=3 1216 B8R1.78 CC1(C(=O)O)CCO1 Q56227 [0,1,0,1,0,0|1,0,0]=3 1217 B8R1.78 CC1(C(=O)O)CNC1 L18025 [0,1,0,1,0,0|1,0,0]=3 1218 B8R1.78 CC1(C(=O)O)CNC1 O28316 [0,1,0,1,0,0|1,0,0]=3 1219 B8R1.78 CC1(C(=O)O)COC1 C-2391 [0,1,0,1,0,0|1,0,0]=3 1220 B8R1.78 NC(=O)C1(Br)CCC1 P45535 [0,1,0,1,0,0|1,0,0]=3 1221 B8R1.78 NC(=O)C1(F)CNC1 P50379 [0,1,0,1,0,0|2,0,0]=4 1222 B8R1.78 NC(=O)C1(N)CCC1 L20709 [0,1,0,1,0,0|1,0,0]=3 1223 B8R1.78 NC(=O)C1(N)CCC1 P44318 [0,1,0,1,0,0|1,0,0]=3 1224 B8R1.78 NC(=O)C1(N)CNC1 P48442 [0,1,0,1,0,0|2,0,0]=4 1225 B8R1.78 NC(=O)C1(O)CCC1 P49176 [0,1,0,1,0,0|1,0,0]=3 1226 B8R1.78 NC1(C(=O)F)CCC1 P46353 [0,1,0,1,0,0|1,0,0]=3 1227 B8R1.78 NC1(C(=O)O)CCC1 G-7616 [0,1,0,1,0,0|1,0,0]=3 1228 B8R1.78 NC1(C(=O)O)CCC1 L13534 [0,1,0,1,0,0|1,0,0]=3 1229 B8R1.78 NC1(C(=O)O)CNC1 C-3611 [0,1,0,1,0,0|2,0,0]=4 1230 B8R1.78 NC1(C(=O)O)COC1 C-3395 [0,1,0,1,0,0|2,0,0]=4 1231 B8R1.78 NC1(C(=O)O)CSC1 Q56475 [0,1,0,1,0,0|2,0,0]=4 1232 B8R1.78 NC1(C(=O)O)CSC1 Q56476 [0,1,0,1,0,0|2,0,0]=4 1233 B8R1.78 O=C(O)C1(Br)CCC1 Q56884 [0,1,0,1,0,0|1,0,0]=3 1234 B8R1.78 O=C(O)C1(F)CCC1 P46428 [0,1,0,1,0,0|1,0,0]=3 1235 B8R1.78 O=C(O)C1(F)CNC1 G-7923 [0,1,0,1,0,0|2,0,0]=4 1236 B8R1.78 O=C(O)C1(O)CCC1 L14796 [0,1,0,1,0,0|1,0,0]=3 1237 B8R1.78 O=C(O)C1(O)CNC1 L18244 [0,1,0,1,0,0|2,0,0]=4 1238 B8R1.78 O=C(O)C1(O)COC1 L21345 [0,1,0,1,0,0|2,0,0]=4 1239 B8R1.78 O=C(O)C1(S)CCC1 P47778 [0,1,0,1,0,0|1,0,0]=3 1240 B8R1.6 C(=O)CC1CC(F)C1 P46567 [0,1,0,1,0,0|1,0,0]=3 1241 B8R1.6 CCCC1CC(=O)C1 P45457 [0,1,0,1,0,0|0,0,0]=2 1242 B8R1.6 CCOC1CC(=O)C1 P45782 [0,1,0,1,0,0|1,0,0]=3 1243 B8R1.6 COCC1CC(=O)C1 P42770 [0,1,0,1,0,0|1,0,0]=3 1244 B8R1.6 N#CCC1CC(=O)C1 L18034 [0,1,0,1,0,0|1,0,1]=4 1245 B8R1.8 BrCCC1CCCC1 P40215 [0,1,0,1,0,0|1,0,1]=4 1246 B8R1.8 CNCC1CCCC1 P38031 [0,1,0,1,0,0|1,0,1]=4 1247 B8R1.8 N#CCC1CCCC1 P37327 [0,1,0,1,0,0|1,0,1]=4 1248 B8R1.8 NCCC1CCCC1 P37297 [0,1,0,1,0,0|1,0,1]=4 1249 B8R1.8 NNCC1CCCC1 P44364 [0,1,0,1,0,0|1,0,1]=4 1250 B8R1.8 NNCC1CCCC1 Q59135 [0,1,0,1,0,0|1,0,1]=4 1251 B8R1.8 O=CCC1CCCC1 P37401 [0,1,0,1,0,0|0,0,0]=2 1252 B8R1.8 O=CCN1CCCC1 P35023 [0,1,0,1,0,0|1,0,0]=3 1253 B8R1.8 OCCC1CCCC1 P36182 [0,1,0,1,0,0|0,0,2]=4 1254 B8R1.8 [N-]=[N+]=NC1CCCC1 P38734 [0,1,0,1,0,0|2,0,0]=4 1255 B8R1.11 CC1CCCC1CN L20508 [0,1,0,1,0,0|1,0,1]=4 1256 B8R1.11 CN1CCCC1CN P39264 [0,1,0,1,0,0|1,0,1]=4 1257 B8R1.11 CN1CCC[C@@H]1CN C-3654 [0,1,0,1,0,0|1,0,1]=4 1258 B8R1.11 CN1CCC[C@@H]1CO P44684 [0,1,0,1,0,0|0,0,2]=4 1259 B8R1.11 CN1CCC[C@H]1CN C-3570 [0,1,0,1,0,0|1,0,1]=4 1260 B8R1.11 CNC1CCNC1=O L20781 [0,1,0,1,0,0|1,0,0]=3 1261 B8R1.11 CN[C@@H]1CCC[C@H]1O Q55268 [0,1,0,1,0,0|0,0,2]=4 1262 B8R1.11 CN[C@@H]1CCC[C@H]1O Q61729 [0,1,0,1,0,0|0,0,2]=4 1263 B8R1.11 COC1CCCC1N Q59137 [0,1,0,1,0,0|1,0,1]=4 1264 B8R1.11 COC1CCCC1N Q59138 [0,1,0,1,0,0|1,0,1]=4 1265 B8R1.11 CO[C@@H]1CCC[C@@H]1N Q52259 [0,1,0,1,0,0|1,0,1]=4 1266 B8R1.11 CO[C@@H]1CCC[C@@H]1N Q52260 [0,1,0,1,0,0|1,0,1]=4 1267 B8R1.11 CO[C@@H]1CCC[C@H]1N Q56991 [0,1,0,1,0,0|1,0,1]=4 1268 B8R1.11 CO[C@H]1CCC[C@@H]1N Q52257 [0,1,0,1,0,0|1,0,1]=4 1269 B8R1.11 CO[C@H]1CCC[C@@H]1N Q56990 [0,1,0,1,0,0|1,0,1]=4 1270 B8R1.11 CSC1CCCC1N Q59163 [0,1,0,1,0,0|1,0,1]=4 1271 B8R1.11 N#CC1CCCC1N Q54475 [0,1,0,1,0,0|1,0,1]=4 1272 B8R1.11 N#CC1COCC1=O L22433 [0,1,0,1,0,0|1,0,1]=4 1273 B8R1.11 N#CC1CSCC1=O L13982 [0,1,0,1,0,0|1,0,1]=4 1274 B8R1.11 N#C[C@@H]1CCC[C@@H]1N F-4843 [0,1,0,1,0,0|1,0,1]=4 1275 B8R1.11 N#C[C@@H]1CCC[C@@H]1N G-7844 [0,1,0,1,0,0|1,0,1]=4 1276 B8R1.11 N#C[C@@H]1CCC[C@@H]1N P50522 [0,1,0,1,0,0|1,0,1]=4 1277 B8R1.11 N#C[C@@H]1CCC[C@@H]1N Q52161 [0,1,0,1,0,0|1,0,1]=4 1278 B8R1.11 N#C[C@@H]1CCC[C@H]1O Q52678 [0,1,0,1,0,0|1,0,1]=4 1279 B8R1.11 N#C[C@H]1CCC[C@H]1N L13306 [0,1,0,1,0,0|1,0,1]=4 1280 B8R1.11 N#C[C@H]1CCC[C@H]1N Q52845 [0,1,0,1,0,0|1,0,1]=4 1281 B8R1.11 N#C[C@H]1CCC[C@H]1N Q52846 [0,1,0,1,0,0|1,0,1]=4 1282 B8R1.11 NCC1CCCC1N Q59144 [0,1,0,1,0,0|1,0,1]=4 1283 B8R1.11 NCC1CCCC1O Q59145 [0,1,0,1,0,0|0,0,2]=4 1284 B8R1.11 NC[C@@H]1CCC[C@H]1O Q52811 [0,1,0,1,0,0|0,0,2]=4 1285 B8R1.11 NC[C@H]1CCC[C@@H]1O Q52812 [0,1,0,1,0,0|0,0,2]=4 1286 B8R1.11 O=C1NCCC1CO L13115 [0,1,0,1,0,0|1,0,0]=3 1287 B8R1.66 C(=O)CC1(C)CCC1 P46847 [0,1,0,1,0,0|0,0,0]=2 1288 B8R1.66 C(=O)CC1(O)COC1 Q54837 [0,1,0,1,0,0|2,0,0]=4 1289 B8R1.66 CCCC1(O)CNC1 H-8422 [0,1,0,1,0,0|1,0,1]=4 1290 B8R1.28 CC(C)(CO)C1CC1 L20131 [0,1,0,1,0,0|0,0,2]=4 1291 B8R1.28 CCC(C)(N)C1CC1 L20914 [0,1,0,1,0,0|1,0,1]=4 1292 B8R1.72 CC1(C)CCCCN1 Q52541 [0,1,0,1,0,0|2,0,0]=4 1293 B8R1.72 CC1(F)CCCNC1 Q54394 [0,1,0,1,0,0|1,0,1]=4 1294 B8R1.72 CC1(N)CCCOC1 H-8277 [0,1,0,1,0,0|0,0,2]=4 1295 B8R1.72 CC1(N)CCCOC1 H-8277-1 [0,1,0,1,0,0|0,0,2]=4 1296 B8R1.72 CC1(O)CCCNC1 A-831 [0,1,0,1,0,0|1,0,1]=4 1297 B8R1.72 CC1(O)CCCNC1 M22629 [0,1,0,1,0,0|1,0,1]=4 1298 B8R1.72 CC1(O)CCCOC1 Q65022 [0,1,0,1,0,0|0,0,2]=4 1299 B8R1.72 C[C@@]1(O)CCCNC1 Q65190 [0,1,0,1,0,0|1,0,1]=4 1300 B8R1.72 C[C@]1(O)CCCNC1 P44137 [0,1,0,1,0,0|1,0,1]=4 1301 B8R1.60 CCC1(C=O)CCC1 P44073 [0,1,0,1,0,0|0,0,0]=2 1302 B8R1.60 CCC1(C=O)COC1 L13619 [0,1,0,1,0,0|1,0,0]=3 1303 B8R1.60 CCC1(CN)CCC1 P44713 [0,1,0,1,0,0|1,0,1]=4 1304 B8R1.60 CNC1(C#N)CCC1 P47912 [0,1,0,1,0,0|1,0,1]=4 1305 B8R1.60 CNC1(CN)CCC1 P48035 [0,1,0,1,0,0|1,0,1]=4 1306 B8R1.60 CNC1(CO)CCC1 P49820 [0,1,0,1,0,0|0,0,2]=4 1307 B8R1.60 COC1(C#N)CCC1 P48141 [0,1,0,1,0,0|1,0,1]=4 1308 B8R1.60 COC1(C=O)CCC1 P49097 [0,1,0,1,0,0|0,0,0]=2 1309 B8R1.60 COC1(CN)CCC1 P48127 [0,1,0,1,0,0|1,0,1]=4 1310 B8R1.60 COC1(CN)CCC1 P48138 [0,1,0,1,0,0|1,0,1]=4 1311 B8R1.60 COC1(OC)CCC1 P45609 [0,1,0,1,0,0|2,0,0]=4 1312 B8R1.60 N#CC1(CN)CCC1 P48124 [0,1,0,1,0,0|1,0,1]=4 1313 B8R1.60 N#CC1(CO)CCC1 P44723 [0,1,0,1,0,0|1,0,1]=4 1314 B8R1.60 NCC1(CN)CCC1 L14257 [0,1,0,1,0,0|1,0,1]=4 1315 B8R1.60 NCC1(CO)CCC1 G-6313 [0,1,0,1,0,0|0,0,2]=4 1316 B8R1.60 NCC1(CO)CCC1 P42587 [0,1,0,1,0,0|0,0,2]=4 1317 B8R1.60 OCC1(CO)CCC1 L21609 [0,1,0,1,0,0|0,0,2]=4 1318 B8R2.22 C1CC2CNC2C1 Q52162 [0,0,0,2,0,0|1,0,1]=4 1319 B8R2.34 C1=CC2CC1CN2 L14078 [0,0,0,2,0,0|2,0,0]=4 1320 B8R2.34 C1=CC2CC1CN2 P45340 [0,0,0,2,0,0|2,0,0]=4 1321 B8R2.34 C1CC2CC1CN2 L21596 [0,0,0,2,0,0|1,0,1]=4 1322 B8R2.34 C1CC2CC1CN2 P45371 [0,0,0,2,0,0|1,0,1]=4 1323 B8R2.34 C1C[C@@H]2C[C@H]1CN2 Q53432 [0,0,0,2,0,0|1,0,1]=4 1324 B8R2.34 C1C[C@@H]2C[C@H]1CN2 Q53433 [0,0,0,2,0,0|1,0,1]=4 1325 B8R2.34 C1C[C@H]2CN[C@@H]1C2 Q53434 [0,0,0,2,0,0|1,0,1]=4 1326 B8R2.34 C1C[C@H]2CN[C@@H]1C2 Q53435 [0,0,0,2,0,0|1,0,1]=4 1327 B8R2.55 C1CCC2(C1)CO2 Q61872 [0,0,0,2,0,0|0,0,2]=4 1328 B8R2.4 O=C1CC2CC1C2 P45525 [0,0,0,2,0,0|0,0,0]=2 1329 B8R2.38 NC1CCC2CC12 Q56246 [0,0,0,2,0,0|1,0,1]=4 1330 B8R2.38 NC1CCC2CC12 Q56247 [0,0,0,2,0,0|1,0,1]=4 1331 B8R2.38 O=C1CC[C@@H]2C[C@H]12 Q52888 [0,0,0,2,0,0|0,0,0]=2 1332 B8R2.38 O=C1CC[C@H]2C[C@@H]12 Q52887 [0,0,0,2,0,0|0,0,0]=2 1333 B8R2.38 O=C1CNC2CC12 H-8711 [0,0,0,2,0,0|1,0,0]=3 1334 B8R2.38 O=C1NCC2CC12 Q61923 [0,0,0,2,0,0|1,0,0]=3 1335 B8R2.23 C1NCC2CC1C2 G-6134 [0,0,0,2,0,0|1,0,1]=4 1336 B8R2.23 C1NCC2CC1C2 P43854 [0,0,0,2,0,0|1,0,1]=4 1337 B8R2.25 C1CNC2CC2C1 Q57310 [0,0,0,2,0,0|1,0,1]=4 1338 B8R2.25 C1CN[C@H]2C[C@H]2C1 Q58108 [0,0,0,2,0,0|1,0,1]=4 1339 B8R2.1 C1CC(C2CC2)N1 F-4827 [0,0,0,2,0,0|2,0,0]=4 1340 B8R2.42 C1CC2(C1)CCN2 G-6263 [0,0,0,2,0,0|2,0,0]=4 1341 B8R2.42 C1CC2(C1)CNC2 10163 [0,0,0,2,0,0|1,0,1]=4 1342 B8R2.42 C1CC2(C1)CNC2 C-2769 [0,0,0,2,0,0|1,0,1]=4 1343 B8R2.42 C1CC2(C1)CNC2 L20970 [0,0,0,2,0,0|1,0,1]=4 1344 B8R2.42 C1CC2(C1)CNC2 Q51848 [0,0,0,2,0,0|1,0,1]=4 1345 B8R2.20 NCC1CC12CC2 Q57346 [0,0,0,2,0,0|1,0,1]=4 1346 B8R2.20 O=CC1CC12CC2 Q57295 [0,0,0,2,0,0|0,0,0]=2 1347 B8R2.31 BrCC12CC(C1)C2 L14835 [0,0,0,2,0,0|1,0,1]=4 1348 B8R2.31 C#CC12CC(C1)C2 P48935 [0,0,0,2,0,0|1,0,1]=4 1349 B8R2.31 CNC12CC(C1)C2 P43355 [0,0,0,2,0,0|2,0,0]=4 1350 B8R2.31 CNC12CC(C1)C2 P46792 [0,0,0,2,0,0|2,0,0]=4 1351 B8R2.31 N#CC12CC(C1)C2 P48972 [0,0,0,2,0,0|1,0,1]=4 1352 B8R2.31 NCC12CC(C1)C2 P46232 [0,0,0,2,0,0|1,0,1]=4 1353 B8R2.31 NNC12CC(C1)C2 P48374 [0,0,0,2,0,0|2,0,0]=4 1354 B8R2.31 O=CC12CC(C1)C2 P49652 [0,0,0,2,0,0|0,0,0]=2 1355 B8R2.31 OCC12CC(C1)C2 L14894 [0,0,0,2,0,0|0,0,2]=4