0 B6R0.4 C#CCCC(C)O L18987 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.4 C#CCNC(C)=O P36776 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.4 C#CCOC(N)=O O30954 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.4 CC(C)CCON L20789 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.4 CCNCC(=O)O P37534 [0,0,0,0,0,0|2,0,0]=2 5 B6R0.4 CCNCC(N)=O P36580 [0,0,0,0,0,0|3,0,0]=3 6 B6R0.4 CN(C)CCCBr O34500 [0,0,0,0,0,0|4,0,0]=4 7 B6R0.4 CNCCC(=O)O P36779 [0,0,0,0,0,0|2,0,0]=2 8 B6R0.4 CNCCC(=O)O P39205 [0,0,0,0,0,0|2,0,0]=2 9 B6R0.4 CNCCC(C)O P38146 [0,0,0,0,0,0|3,0,1]=4 10 B6R0.4 CNCCC(N)=O P37896 [0,0,0,0,0,0|3,0,0]=3 11 B6R0.4 O=C(O)\C=C\CBr P41388 [0,0,0,0,0,0|1,0,2]=3 12 B6R0.4 O=CNCC(=O)O P39379 [0,0,0,0,0,0|2,0,1]=3 13 B6R0.4 [N-]=[N+]=NCC(=O)O P40297 [0,0,0,0,0,0|2,0,1]=3 14 B5R0.1 C=C(C)CON P51484 [1,0,0,0,0,0|3,0,0]=4 15 B5R0.1 CC(O)CCN M22972 [1,0,0,0,0,0|1,0,1]=3 16 B5R0.1 CC(O)CON M15150 [1,0,0,0,0,0|2,0,1]=4 17 B5R0.1 CCC[C@H](C)N I-9318 [1,0,0,0,0,0|2,0,1]=4 18 B5R0.1 CNCC(C)O P40721 [1,0,0,0,0,0|2,0,1]=4 19 B5R0.1 CNC[C@@H](C)O P41738 [1,0,0,0,0,0|2,0,1]=4 20 B5R0.1 CNC[C@H](C)O P36531 [1,0,0,0,0,0|2,0,1]=4 21 B5R0.1 COCC(=N)N O34478 [1,0,0,0,0,0|3,0,0]=4 22 B5R0.1 O=C(O)CCF A-698 [1,0,0,0,0,0|1,0,0]=2 23 B5R0.2 C#CCCCI P39399 [1,0,0,0,0,0|2,0,1]=4 24 B5R0.2 C#CCCCO P37563 [1,0,0,0,0,0|1,0,2]=4 25 B5R0.2 CSCCCN P39434 [1,0,0,0,0,0|2,0,0]=3 26 B5R0.2 NCC#CCO L20035 [1,0,0,0,0,0|0,0,3]=4 27 B5R0.2 NCCCCS L19142 [1,0,0,0,0,0|0,1,1]=3 28 B5R0.2 [N-]=[N+]=NCCN P42423 [1,0,0,0,0,0|3,0,0]=4 29 B7R0.2 CCC(=O)CC(=O)O P43007 [0,1,0,0,0,0|1,0,1]=3 30 B7R0.2 CCC(=O)CC(C)=O O31794 [0,1,0,0,0,0|2,0,1]=4 31 B7R0.2 CC[C@@H](N)CC(=O)O M23217 [0,1,0,0,0,0|1,0,0]=2 32 B7R0.2 CC[C@H](N)CC(=O)O M23203 [0,1,0,0,0,0|1,0,0]=2 33 B7R0.2 CNC(=O)CC(=O)O P38150 [0,1,0,0,0,0|2,0,1]=4 34 B7R0.2 NCC(O)CC(=O)O P35068 [0,1,0,0,0,0|0,0,0]=1 35 B7R0.2 N[C@@H](CO)CC(=O)O Q68983 [0,1,0,0,0,0|1,0,0]=2 36 B7R0.2 N[C@@H](CO)CC(=O)O Q68986 [0,1,0,0,0,0|1,0,0]=2 37 B7R0.2 N[C@H](CO)CC(=O)O Q68987 [0,1,0,0,0,0|1,0,0]=2 38 B7R0.2 N[C@H](CO)CC(=O)O Q68989 [0,1,0,0,0,0|1,0,0]=2 39 B7R0.3 CCCC[C@@H](N)CO P35979 [0,1,0,0,0,0|2,0,1]=4 40 B7R0.3 CCCC[C@H](N)CO P35978 [0,1,0,0,0,0|2,0,1]=4 41 B7R0.3 CCCNC(=O)CN P36648 [0,1,0,0,0,0|3,0,0]=4 42 B7R0.3 CC\C=C\C(=O)OC Q70108 [0,1,0,0,0,0|1,0,2]=4 43 B7R0.3 CNC(=O)CCCN P40550 [0,1,0,0,0,0|1,0,0]=2 44 B7R0.3 CNCCC(=O)NC P37767 [0,1,0,0,0,0|3,0,0]=4 45 B7R0.3 CNCCC(=O)OC P36826 [0,1,0,0,0,0|2,0,0]=3 46 B7R0.3 COC(=O)CN=[N+]=[N-] P40367 [0,1,0,0,0,0|2,0,1]=4 47 B7R0.4 C#CCNCC(=O)O L20673 [0,1,0,0,0,0|1,0,1]=3 48 B7R0.4 C#CCOCC(=O)O O29707 [0,1,0,0,0,0|1,0,1]=3 49 B7R0.4 C=CCOCC(=O)O P39548 [0,1,0,0,0,0|1,0,1]=3 50 B7R0.4 CC(=O)NCCCN P38199 [0,1,0,0,0,0|1,0,0]=2 51 B7R0.4 CNCCNC(C)=O P41559 [0,1,0,0,0,0|2,0,0]=3 52 B7R0.4 COCCCC(=O)O P39031 [0,1,0,0,0,0|1,0,0]=2 53 B7R0.4 NCCNCC(=O)O O28634 [0,1,0,0,0,0|0,0,0]=1 54 B7R0.4 NCCOCC(=O)O P35961 [0,1,0,0,0,0|0,0,0]=1 55 B7R0.4 [N-]=[N+]=NCCC(=O)O 10071 [0,1,0,0,0,0|1,0,1]=3 56 B7R0.5 C#CCC(N)C(=O)O P37796 [0,1,0,0,0,0|1,0,1]=3 57 B7R0.5 C#CC[C@@H](N)C(=O)O P39505 [0,1,0,0,0,0|1,0,1]=3 58 B7R0.5 C#CC[C@H](N)C(=O)O P39506 [0,1,0,0,0,0|1,0,1]=3 59 B7R0.5 C=CC[C@@H](N)C(=O)O P37509 [0,1,0,0,0,0|1,0,1]=3 60 B7R0.5 C=CC[C@H](N)C(=O)O O28653 [0,1,0,0,0,0|1,0,1]=3 61 B7R0.5 C=CC[C@H](N)C(=O)O P40769 [0,1,0,0,0,0|1,0,1]=3 62 B7R0.5 CC(=O)N(C)CCN P35211 [0,1,0,0,0,0|2,0,0]=3 63 B7R0.5 CCC[C@H](O)C(=O)O P51274 [0,1,0,0,0,0|1,0,0]=2 64 B7R0.5 CCNC(C)C(=O)O P36832 [0,1,0,0,0,0|2,0,0]=3 65 B7R0.5 CCN[C@@H](C)C(=O)O P36816 [0,1,0,0,0,0|2,0,0]=3 66 B7R0.5 CCN[C@H](C)C(=O)O P35138 [0,1,0,0,0,0|2,0,0]=3 67 B7R0.5 CCOC(=O)C(=O)O P37044 [0,1,0,0,0,0|2,0,1]=4 68 B7R0.5 COC[C@@H](N)C(=O)O P35719 [0,1,0,0,0,0|2,0,0]=3 69 B7R0.5 COC[C@H](N)C(=O)O P38808 [0,1,0,0,0,0|2,0,0]=3 70 B7R0.5 N[C@@H](CCBr)C(=O)O P41033 [0,1,0,0,0,0|1,0,0]=2 71 B7R0.5 N[C@@H](CCS)C(=O)O A-694 [0,1,0,0,0,0|1,0,0]=2 72 B7R0.6 CC(=O)OCC(C)O P36972 [0,1,0,0,0,0|3,0,0]=4 73 B7R0.6 CC(C)=CCC(=O)O P43260 [0,1,0,0,0,0|1,0,2]=4 74 B7R0.6 CC(C)OCC(=O)O P38749 [0,1,0,0,0,0|2,0,0]=3 75 B7R0.6 O=C(O)CCC(F)F S72753 [0,1,0,0,0,0|1,0,0]=2 76 B7R0.8 CCCCS(=O)(=O)O O30093 [0,1,0,0,0,0|2,0,0]=3 77 B7R0.8 CS(=O)(=O)NCCN P35901 [0,1,0,0,0,0|2,0,1]=4 78 B7R0.8 NCCCC(F)(F)F P35864 [0,1,0,0,0,0|2,0,1]=4 79 B7R1.2 CC1CCC(N)C1 Q56970 [0,0,0,1,0,0|2,0,1]=4 80 B7R1.2 CC1CNC(=O)C1 L13710 [0,0,0,1,0,0|3,0,0]=4 81 B7R1.2 CC1CNC(=O)O1 P51279 [0,0,0,1,0,0|2,0,0]=3 82 B7R1.2 CN1CCC(N)C1 C-2205 [0,0,0,1,0,0|3,0,0]=4 83 B7R1.2 CN1CCC(N)C1 O28463 [0,0,0,1,0,0|3,0,0]=4 84 B7R1.2 CN1CC[C@@H](N)C1 C-2206 [0,0,0,1,0,0|3,0,0]=4 85 B7R1.2 CN1CC[C@@H](N)C1 Q66155 [0,0,0,1,0,0|3,0,0]=4 86 B7R1.2 CN1CC[C@H](N)C1 C-2207 [0,0,0,1,0,0|3,0,0]=4 87 B7R1.2 CN1CC[C@H](N)C1 P35579 [0,0,0,1,0,0|3,0,0]=4 88 B7R1.2 CN1CC[C@H](N)C1 Q51811 [0,0,0,1,0,0|3,0,0]=4 89 B7R1.2 C[C@@H]1CNC(=O)C1 L22301 [0,0,0,1,0,0|3,0,0]=4 90 B7R1.2 C[C@@H]1CNC(=O)O1 P42625 [0,0,0,1,0,0|2,0,0]=3 91 B7R1.2 C[C@H]1CNC(=O)C1 L18264 [0,0,0,1,0,0|3,0,0]=4 92 B7R1.2 NC1=CC(=O)CC1 O29931 [0,0,0,1,0,0|1,0,1]=3 93 B7R1.2 NC1CCC(F)C1 Q54470 [0,0,0,1,0,0|2,0,1]=4 94 B7R1.2 NC1CCC(F)C1 Q54471 [0,0,0,1,0,0|2,0,1]=4 95 B7R1.2 NC1CCC(O)C1 G-5810 [0,0,0,1,0,0|1,0,1]=3 96 B7R1.2 NC1CNC(=O)C1 G-6478 [0,0,0,1,0,0|2,0,0]=3 97 B7R1.2 NC1CNC(=O)C1 L13560 [0,0,0,1,0,0|2,0,0]=3 98 B7R1.2 N[C@@H]1CC[C@@H](F)C1 Q56999 [0,0,0,1,0,0|2,0,1]=4 99 B7R1.2 N[C@@H]1CC[C@@H](F)C1 Q57000 [0,0,0,1,0,0|2,0,1]=4 100 B7R1.2 N[C@@H]1CC[C@@H](F)C1 Q57004 [0,0,0,1,0,0|2,0,1]=4 101 B7R1.2 N[C@@H]1CC[C@@H](O)C1 G-6580 [0,0,0,1,0,0|1,0,1]=3 102 B7R1.2 N[C@@H]1CC[C@@H](O)C1 L13346 [0,0,0,1,0,0|1,0,1]=3 103 B7R1.2 N[C@@H]1CC[C@@H](O)C1 Q57092 [0,0,0,1,0,0|1,0,1]=3 104 B7R1.2 N[C@@H]1CC[C@H](F)C1 Q57002 [0,0,0,1,0,0|2,0,1]=4 105 B7R1.2 N[C@@H]1CC[C@H](O)C1 L13208 [0,0,0,1,0,0|1,0,1]=3 106 B7R1.2 N[C@@H]1CC[C@H](O)C1 Q57094 [0,0,0,1,0,0|1,0,1]=3 107 B7R1.2 N[C@@H]1CNC(=O)C1 L13184 [0,0,0,1,0,0|2,0,0]=3 108 B7R1.2 N[C@@H]1CNC(=O)C1 P44245 [0,0,0,1,0,0|2,0,0]=3 109 B7R1.2 N[C@H]1CC[C@@H](F)C1 O33077 [0,0,0,1,0,0|2,0,1]=4 110 B7R1.2 N[C@H]1CC[C@@H](F)C1 Q56998 [0,0,0,1,0,0|2,0,1]=4 111 B7R1.2 N[C@H]1CC[C@@H](F)C1 Q57001 [0,0,0,1,0,0|2,0,1]=4 112 B7R1.2 N[C@H]1CC[C@@H](O)C1 G-6579 [0,0,0,1,0,0|1,0,1]=3 113 B7R1.2 N[C@H]1CC[C@@H](O)C1 K10902 [0,0,0,1,0,0|1,0,1]=3 114 B7R1.2 N[C@H]1CC[C@@H](O)C1 L21276 [0,0,0,1,0,0|1,0,1]=3 115 B7R1.2 N[C@H]1CC[C@H](F)C1 Q57003 [0,0,0,1,0,0|2,0,1]=4 116 B7R1.2 N[C@H]1CC[C@H](O)C1 I-9981 [0,0,0,1,0,0|1,0,1]=3 117 B7R1.2 N[C@H]1CC[C@H](O)C1 Q57093 [0,0,0,1,0,0|1,0,1]=3 118 B7R1.2 N[C@H]1CNC(=O)C1 L13183 [0,0,0,1,0,0|2,0,0]=3 119 B7R1.2 O=C1CC(O)CN1 P39299 [0,0,0,1,0,0|3,0,0]=4 120 B7R1.2 O=C1CCC(=O)C1 I-9301 [0,0,0,1,0,0|2,0,1]=4 121 B7R1.2 O=C1CCC(Br)C1 Q56972 [0,0,0,1,0,0|2,0,0]=3 122 B7R1.2 O=C1CCC(F)C1 Q55724 [0,0,0,1,0,0|2,0,0]=3 123 B7R1.2 O=C1CCC(O)C1 H-8145 [0,0,0,1,0,0|2,0,0]=3 124 B7R1.2 O=C1C[C@@H](O)CN1 M22799 [0,0,0,1,0,0|3,0,0]=4 125 B7R1.2 O=C1C[C@@H](S)CN1 I-9138 [0,0,0,1,0,0|3,0,0]=4 126 B7R1.2 OC1CCC(F)C1 Q55723 [0,0,0,1,0,0|2,0,1]=4 127 B7R1.2 OC1CCC(O)C1 L14091 [0,0,0,1,0,0|2,0,1]=4 128 B7R1.2 O[C@@H]1CC[C@@H](O)C1 O33251 [0,0,0,1,0,0|2,0,1]=4 129 B7R1.2 O[C@H]1CC[C@@H](O)C1 L14976 [0,0,0,1,0,0|2,0,1]=4 130 B7R1.2 O[C@H]1CC[C@H](O)C1 Q57036 [0,0,0,1,0,0|2,0,1]=4 131 B7R1.3 BrC1=CCCCC1 N24288 [0,0,0,1,0,0|3,0,0]=4 132 B7R1.3 BrC1=CCCNC1 Q65300 [0,0,0,1,0,0|2,0,1]=4 133 B7R1.3 BrC1CCCNC1 H-8368 [0,0,0,1,0,0|2,0,1]=4 134 B7R1.3 C=C1CCCNC1 Q59836 [0,0,0,1,0,0|2,0,0]=3 135 B7R1.3 C=C1CCCOC1 Q54979 [0,0,0,1,0,0|3,0,0]=4 136 B7R1.3 CC1=CCCNC1 I-9121 [0,0,0,1,0,0|2,0,1]=4 137 B7R1.3 C[C@@H]1CCCNC1 Q55825 [0,0,0,1,0,0|2,0,1]=4 138 B7R1.3 C[C@H]1CCCNC1 Q55824 [0,0,0,1,0,0|2,0,1]=4 139 B7R1.3 FC1CCCNC1 C-2254 [0,0,0,1,0,0|2,0,1]=4 140 B7R1.3 F[C@@H]1CCCNC1 G-5231 [0,0,0,1,0,0|2,0,1]=4 141 B7R1.3 F[C@H]1CCCNC1 C-2765 [0,0,0,1,0,0|2,0,1]=4 142 B7R1.3 N=C1NCCCO1 L19177 [0,0,0,1,0,0|3,0,0]=4 143 B7R1.3 N[C@@H]1CCCNC1 I-9160 [0,0,0,1,0,0|2,0,1]=4 144 B7R1.3 O=C1C=CCCN1 O34600 [0,0,0,1,0,0|3,0,0]=4 145 B7R1.3 O=C1C=CCOC1 L22520 [0,0,0,1,0,0|3,0,0]=4 146 B7R1.3 O=C1C=COCC1 Q54629 [0,0,0,1,0,0|3,0,0]=4 147 B7R1.3 O=C1CC=CCC1 Q53604 [0,0,0,1,0,0|2,0,1]=4 148 B7R1.3 O=C1CCCNC1 A-184 [0,0,0,1,0,0|1,0,0]=2 149 B7R1.3 O=C1CCCOC1 G-6070 [0,0,0,1,0,0|2,0,0]=3 150 B7R1.3 O=C1CCCSC1 G-5937 [0,0,0,1,0,0|2,0,0]=3 151 B7R1.3 O=C1CCOCC1 B-1770 [0,0,0,1,0,0|3,0,0]=4 152 B7R1.3 O=C1CCSCC1 C-2949 [0,0,0,1,0,0|3,0,0]=4 153 B7R1.3 O=C1CNCCO1 O28295 [0,0,0,1,0,0|2,0,0]=3 154 B7R1.3 O=C1COCCN1 B-1038 [0,0,0,1,0,0|3,0,0]=4 155 B7R1.3 O=C1OCCCO1 P43743 [0,0,0,1,0,0|2,0,0]=3 156 B7R1.3 OC1CCCOC1 G-6220 [0,0,0,1,0,0|2,0,1]=4 157 B7R1.3 O[C@@H]1CCCNC1 K12060 [0,0,0,1,0,0|1,0,1]=3 158 B7R1.3 O[C@@H]1CCCOC1 P44487 [0,0,0,1,0,0|2,0,1]=4 159 B7R1.3 O[C@H]1CCCNC1 K12075 [0,0,0,1,0,0|1,0,1]=3 160 B7R1.3 O[C@H]1CCCNC1 L13549 [0,0,0,1,0,0|1,0,1]=3 161 B7R1.3 O[C@H]1CCCOC1 P51230 [0,0,0,1,0,0|2,0,1]=4 162 B7R1.3 SC1CCCNC1 L21541 [0,0,0,1,0,0|1,1,1]=4 163 B7R1.10 C=C1CC(CBr)C1 P49895 [0,0,0,1,0,0|3,0,0]=4 164 B7R1.10 C=C1CC(CO)C1 P49896 [0,0,0,1,0,0|3,0,0]=4 165 B7R1.10 C=CC1CC(=O)C1 P45344 [0,0,0,1,0,0|2,0,1]=4 166 B7R1.10 CCC1CC(=O)C1 P44071 [0,0,0,1,0,0|2,0,0]=3 167 B7R1.10 CN1CC(CN)C1 I-9961 [0,0,0,1,0,0|3,0,0]=4 168 B7R1.10 COC1CC(=O)C1 F-4668 [0,0,0,1,0,0|3,0,0]=4 169 B7R1.10 N#CC1CC(=O)C1 F-4231 [0,0,0,1,0,0|1,0,2]=4 170 B7R1.10 NCC1CC(=O)C1 C-2921 [0,0,0,1,0,0|1,0,0]=2 171 B7R1.10 NCC1CC(F)C1 G-6332 [0,0,0,1,0,0|2,0,1]=4 172 B7R1.10 NCC1CC(O)C1 G-5291 [0,0,0,1,0,0|1,0,1]=3 173 B7R1.10 NCC1CC(O)C1 P47397 [0,0,0,1,0,0|1,0,1]=3 174 B7R1.10 NC[C@H]1C[C@@H](F)C1 P43938 [0,0,0,1,0,0|2,0,1]=4 175 B7R1.10 NC[C@H]1C[C@@H](O)C1 C-2431 [0,0,0,1,0,0|1,0,1]=3 176 B7R1.10 NC[C@H]1C[C@@H](O)C1 P44178 [0,0,0,1,0,0|1,0,1]=3 177 B7R1.10 NC[C@H]1C[C@H](F)C1 G-7260 [0,0,0,1,0,0|2,0,1]=4 178 B7R1.10 NC[C@H]1C[C@H](O)C1 C-2432 [0,0,0,1,0,0|1,0,1]=3 179 B7R1.10 NC[C@H]1C[C@H](O)C1 C-2432-01 [0,0,0,1,0,0|1,0,1]=3 180 B7R1.10 NN[C@H]1C[C@@H](O)C1 P50573 [0,0,0,1,0,0|2,0,1]=4 181 B7R1.10 NN[C@H]1C[C@H](O)C1 P50572 [0,0,0,1,0,0|2,0,1]=4 182 B7R1.10 O=C1CC(CBr)C1 G-6631 [0,0,0,1,0,0|2,0,0]=3 183 B7R1.10 O=C1CC(CBr)O1 Q57248 [0,0,0,1,0,0|1,0,0]=2 184 B7R1.10 O=C1CC(CCl)C1 L13121 [0,0,0,1,0,0|2,0,0]=3 185 B7R1.10 O=C1CC(CF)C1 P44872 [0,0,0,1,0,0|2,0,0]=3 186 B7R1.10 O=C1CC(CO)C1 D-2565 [0,0,0,1,0,0|2,0,0]=3 187 B7R1.10 O=C1CC(CO)N1 P45245 [0,0,0,1,0,0|2,0,0]=3 188 B7R1.10 O=C1C[C@H](CO)N1 Q53600 [0,0,0,1,0,0|2,0,0]=3 189 B7R1.10 OC1CC(CBr)C1 P47356 [0,0,0,1,0,0|2,0,1]=4 190 B7R1.10 OC1CC(CF)C1 P47254 [0,0,0,1,0,0|2,0,1]=4 191 B7R1.10 OCC1CC(O)C1 P49195 [0,0,0,1,0,0|2,0,1]=4 192 B7R1.10 O[C@H]1C[C@@H](CBr)C1 P46704 [0,0,0,1,0,0|2,0,1]=4 193 B7R1.10 O[C@H]1C[C@@H](CF)C1 P46123 [0,0,0,1,0,0|2,0,1]=4 194 B7R1.10 O[C@H]1C[C@H](CBr)C1 P46014 [0,0,0,1,0,0|2,0,1]=4 195 B7R1.12 CC1CC1C(=O)Cl O31612 [0,0,0,1,0,0|2,0,0]=3 196 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O P44059 [0,0,0,1,0,0|1,0,0]=2 197 B7R1.12 C[C@@H]1C[C@H]1C(=O)O L22375 [0,0,0,1,0,0|1,0,0]=2 198 B7R1.12 C[C@H]1C[C@H]1C(=O)O O33127 [0,0,0,1,0,0|1,0,0]=2 199 B7R1.12 O=C(O)C1CC1F Q52394 [0,0,0,1,0,0|1,0,0]=2 200 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F K10809 [0,0,0,1,0,0|1,0,0]=2 201 B7R1.12 O=C(O)[C@@H]1C[C@H]1F O33126 [0,0,0,1,0,0|1,0,0]=2 202 B7R1.12 O=C(O)[C@@H]1C[C@H]1F O33327 [0,0,0,1,0,0|1,0,0]=2 203 B7R1.12 O=C(O)[C@H]1C[C@@H]1F O33229 [0,0,0,1,0,0|1,0,0]=2 204 B7R1.12 O=C(O)[C@H]1C[C@H]1F K10802 [0,0,0,1,0,0|1,0,0]=2 205 B7R1.14 CC1(C)CCCN1 A-592 [0,0,0,1,0,0|2,0,1]=4 206 B7R1.14 CC1(C)CCCN1 Q51927 [0,0,0,1,0,0|2,0,1]=4 207 B7R1.14 O=S1(=O)NCCO1 G-7898 [0,0,0,1,0,0|2,0,1]=4 208 B7R1.17 NC1CCC1(F)F F-4874 [0,0,0,1,0,0|2,0,1]=4 209 B7R1.17 NC1CCC1(F)F P49059 [0,0,0,1,0,0|2,0,1]=4 210 B7R1.18 CC(=O)C1CCC1 Q54751 [0,0,0,1,0,0|2,0,0]=3 211 B7R1.18 CC(=O)C1CNC1 P44065 [0,0,0,1,0,0|3,0,0]=4 212 B7R1.18 CC(=O)C1CNC1 P48871 [0,0,0,1,0,0|3,0,0]=4 213 B7R1.18 CC(=O)C1CNC1 P48872 [0,0,0,1,0,0|3,0,0]=4 214 B7R1.18 CC(=O)C1COC1 Q56096 [0,0,0,1,0,0|3,0,0]=4 215 B7R1.18 CC(=O)N1CCC1 P45596 [0,0,0,1,0,0|3,0,0]=4 216 B7R1.18 CC(C)C1CCN1 P45191 [0,0,0,1,0,0|2,0,1]=4 217 B7R1.18 CC(C)C1CCN1 P48185 [0,0,0,1,0,0|2,0,1]=4 218 B7R1.18 CC(O)C1CCC1 P45236 [0,0,0,1,0,0|2,0,1]=4 219 B7R1.18 C[C@H](O)C1CCC1 P47847 [0,0,0,1,0,0|2,0,1]=4 220 B7R1.18 FC(F)C1CCN1 P46960 [0,0,0,1,0,0|2,0,1]=4 221 B7R1.18 FC(F)C1CCN1 P47149 [0,0,0,1,0,0|2,0,1]=4 222 B7R1.18 FC(F)[C@@H]1CCN1 P50374 [0,0,0,1,0,0|2,0,1]=4 223 B7R1.18 FC(F)[C@H]1CCN1 P50373 [0,0,0,1,0,0|2,0,1]=4 224 B7R1.18 N=C(N)C1CCC1 G-7205 [0,0,0,1,0,0|3,0,0]=4 225 B7R1.18 NC(=O)C1CCC1 O34470 [0,0,0,1,0,0|2,0,0]=3 226 B7R1.18 NC(=O)C1CCN1 O28301 [0,0,0,1,0,0|1,0,0]=2 227 B7R1.18 NC(=O)C1CNC1 C-2241 [0,0,0,1,0,0|3,0,0]=4 228 B7R1.18 NC(=O)C1CNC1 L21539 [0,0,0,1,0,0|3,0,0]=4 229 B7R1.18 NC(=O)N1CCC1 P45464 [0,0,0,1,0,0|3,0,0]=4 230 B7R1.18 NC(=S)C1CCC1 P47843 [0,0,0,1,0,0|2,1,0]=4 231 B7R1.18 O=C(O)C1CCN1 B-1112 [0,0,0,1,0,0|0,0,0]=1 232 B7R1.18 O=C(O)C1CCO1 D-2702 [0,0,0,1,0,0|1,0,0]=2 233 B7R1.18 O=C(O)C1CNC1 A-422 [0,0,0,1,0,0|2,0,0]=3 234 B7R1.18 O=C(O)C1CNC1 P42961 [0,0,0,1,0,0|2,0,0]=3 235 B7R1.18 O=C(O)C1COC1 A-970 [0,0,0,1,0,0|2,0,0]=3 236 B7R1.18 O=C(O)C1CSC1 H-8019 [0,0,0,1,0,0|2,0,0]=3 237 B7R1.18 O=C(O)[C@@H]1CCN1 B-1110 [0,0,0,1,0,0|0,0,0]=1 238 B7R1.18 O=C(O)[C@@H]1CCN1 P46195 [0,0,0,1,0,0|0,0,0]=1 239 B7R1.18 O=C(O)[C@@H]1CCO1 Q62698 [0,0,0,1,0,0|1,0,0]=2 240 B7R1.18 O=C(O)[C@H]1CCN1 B-1109 [0,0,0,1,0,0|0,0,0]=1 241 B7R1.18 O=C(O)[C@H]1CCN1 P45364 [0,0,0,1,0,0|0,0,0]=1 242 B7R1.18 O=C(O)[C@H]1CCO1 Q62699 [0,0,0,1,0,0|1,0,0]=2 243 B7R1.18 O=C([O-])C1=CCC1 P50045 [0,0,0,1,0,0|1,0,2]=4 244 B7R1.18 OB(O)C1CCC1 P45097 [0,0,0,1,0,0|2,0,1]=4 245 B7R1.20 CC(O)CC1CC1 O29763 [0,0,0,1,0,0|2,0,1]=4 246 B7R1.20 O=C(Cl)CC1CC1 Q54347 [0,0,0,1,0,0|2,0,0]=3 247 B7R1.20 O=C(O)CC1CC1 F-4292 [0,0,0,1,0,0|1,0,0]=2 248 B7R1.20 O=C(O)CC1CO1 P45743 [0,0,0,1,0,0|1,0,0]=2 249 B4R0.1 C=C(C)CN P39039 [2,0,0,0,0,0|2,0,0]=4 250 B4R0.1 CC(=O)CN P45193 [2,0,0,0,0,0|1,0,0]=3 251 B4R0.2 C#CCCN O34440 [2,0,0,0,0,0|0,0,2]=4 252 B4R0.2 C=CCCN L22153 [2,0,0,0,0,0|0,0,1]=3 253 B4R0.2 C=CCNN O31326 [2,0,0,0,0,0|1,0,1]=4 254 B4R0.2 CCCNN O30752 [2,0,0,0,0,0|1,0,1]=4 255 B4R0.2 COCC=O F-4461 [2,0,0,0,0,0|1,0,0]=3 256 B4R0.2 CSCCN P36563 [2,0,0,0,0,0|1,0,1]=4 257 B4R0.2 NCCCS A-986 [2,0,0,0,0,0|0,1,0]=3 258 B4R0.2 NCCCS M15465 [2,0,0,0,0,0|0,1,0]=3 259 B6R0.1 C#CC(O)CCC P42817 [1,1,0,0,0,0|1,0,1]=4 260 B6R0.1 CCC[C@@H](N)CO P35977 [1,1,0,0,0,0|1,0,1]=4 261 B6R0.1 CCC[C@H](N)CO P39535 [1,1,0,0,0,0|1,0,1]=4 262 B6R0.1 CCNC(=O)CN P39222 [1,1,0,0,0,0|2,0,0]=4 263 B6R0.1 CCNC(=O)CO O31312 [1,1,0,0,0,0|1,0,0]=3 264 B6R0.1 CCNC(=O)NC M15284 [1,1,0,0,0,0|2,0,0]=4 265 B6R0.1 CNC(=O)CCCl P38167 [1,1,0,0,0,0|2,0,0]=4 266 B6R0.1 CNC(=O)CCN P37692 [1,1,0,0,0,0|1,0,0]=3 267 B6R0.1 CNCC(=O)NC P37691 [1,1,0,0,0,0|2,0,0]=4 268 B6R0.1 CNCC(=O)NC P38046 [1,1,0,0,0,0|2,0,0]=4 269 B6R0.2 CC(=O)NC(C)C P50955 [1,1,0,0,0,0|2,0,0]=4 270 B6R0.2 CC(C)C[C@@H](C)O Q70085 [1,1,0,0,0,0|1,0,1]=4 271 B6R0.2 CC(O)CC(=O)O P38963 [1,1,0,0,0,0|0,0,0]=2 272 B6R0.2 CN(C)CC(N)=O P36935 [1,1,0,0,0,0|2,0,0]=4 273 B6R0.2 C[C@@H](N)CC(=O)O P38442 [1,1,0,0,0,0|0,0,0]=2 274 B6R0.2 C[C@@H](N)CC(=O)O Q68956 [1,1,0,0,0,0|0,0,0]=2 275 B6R0.2 C[C@@H](O)CC(=O)O P36990 [1,1,0,0,0,0|0,0,0]=2 276 B6R0.2 C[C@H](N)CC(=O)O P38443 [1,1,0,0,0,0|0,0,0]=2 277 B6R0.2 C[C@H](O)CC(=O)O P37046 [1,1,0,0,0,0|0,0,0]=2 278 B6R0.3 C=C[C@@H](C)C(=O)O H-8974 [1,1,0,0,0,0|0,0,2]=4 279 B6R0.3 C=C[C@H](C)C(=O)O H-8989 [1,1,0,0,0,0|0,0,2]=4 280 B6R0.3 CCC(N)C(C)O L20519 [1,1,0,0,0,0|1,0,1]=4 281 B6R0.3 CCC(N)C(N)=O P35312 [1,1,0,0,0,0|1,0,0]=3 282 B6R0.3 CC[C@@H](Br)C(=O)O P45858 [1,1,0,0,0,0|0,0,0]=2 283 B6R0.3 CC[C@@H](O)C(=O)O P40022 [1,1,0,0,0,0|0,0,0]=2 284 B6R0.3 CC[C@H](Br)C(=O)O P45751 [1,1,0,0,0,0|0,0,0]=2 285 B6R0.3 CC[C@H](O)C(=O)O P38746 [1,1,0,0,0,0|0,0,0]=2 286 B6R0.3 CNC(C)C(N)=O P41317 [1,1,0,0,0,0|2,0,0]=4 287 B6R0.3 CO[C@@H](C)C(=O)O I-9183 [1,1,0,0,0,0|1,0,0]=3 288 B6R0.3 C[C@@H](CN)C(=O)O Q69056 [1,1,0,0,0,0|0,0,0]=2 289 B6R0.3 C[C@@H](CN)C(=O)O Q69059 [1,1,0,0,0,0|0,0,0]=2 290 B6R0.3 C[C@H](CN)C(=O)O Q69061 [1,1,0,0,0,0|0,0,0]=2 291 B6R0.3 C[C@H](CN)C(=O)O Q69064 [1,1,0,0,0,0|0,0,0]=2 292 B6R0.3 C[C@H](CO)C(=O)O 10021 [1,1,0,0,0,0|1,0,0]=3 293 B6R0.3 C\C=C(/F)C(=O)O F-4310 [1,1,0,0,0,0|0,0,2]=4 294 B6R0.3 NCC(N)C(=O)O P37494 [1,1,0,0,0,0|0,0,0]=2 295 B6R0.3 NCC(O)C(=O)O O28965 [1,1,0,0,0,0|0,0,0]=2 296 B6R0.3 NC[C@@H](O)C(=O)O 10685 [1,1,0,0,0,0|0,0,0]=2 297 B6R0.3 NC[C@H](N)C(=O)O P40075 [1,1,0,0,0,0|0,0,0]=2 298 B6R0.5 CC(C)(O)CCN M22892 [1,1,0,0,0,0|1,0,1]=4 299 B6R0.5 CCCS(N)(=O)=O O34092 [1,1,0,0,0,0|1,0,1]=4 300 B6R0.5 CS(=O)(=O)CCN P43261 [1,1,0,0,0,0|1,0,1]=4 301 B6R0.6 C#CCCCCN O31570 [1,1,0,0,0,0|1,0,1]=4 302 B6R0.6 C#CCCCNC L19187 [1,1,0,0,0,0|1,0,1]=4 303 B6R0.6 C#CCOCCN P42183 [1,1,0,0,0,0|1,0,1]=4 304 B6R0.6 CNCCCCN L19491 [1,1,0,0,0,0|1,0,1]=4 305 B6R0.6 CNCCCOC P37437 [1,1,0,0,0,0|2,0,0]=4 306 B6R0.6 COCCCCN O29739 [1,1,0,0,0,0|0,0,1]=3 307 B6R0.6 NCCOCCN P39125 [1,1,0,0,0,0|1,0,1]=4 308 B6R0.6 OCCOCCBr P37296 [1,1,0,0,0,0|1,0,1]=4 309 B6R0.6 OCCOCCI P41754 [1,1,0,0,0,0|1,0,1]=4 310 B6R0.6 [N-]=[N+]=NCCCN M23188 [1,1,0,0,0,0|2,0,0]=4 311 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O O28696 [0,2,0,0,0,0|1,0,0]=3 312 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O O28455 [0,2,0,0,0,0|1,0,0]=3 313 B8R0.5 C=CC[C@@H](N)CC(=O)O Q69101 [0,2,0,0,0,0|1,0,0]=3 314 B8R0.5 CCCC(=O)CC(C)=O O29704 [0,2,0,0,0,0|2,0,0]=4 315 B8R0.5 COCC(O)CC(=O)O F-4460 [0,2,0,0,0,0|1,0,0]=3 316 B8R0.16 CCN(CC)CC(=O)O P40850 [0,2,0,0,0,0|2,0,0]=4 317 B8R0.23 C=C(C)CC(N)C(=O)O P39089 [0,2,0,0,0,0|1,0,1]=4 318 B8R0.23 C=C(C)C[C@@H](N)C(=O)O O28738 [0,2,0,0,0,0|1,0,1]=4 319 B8R0.23 C=C(C)C[C@H](N)C(=O)O O28733 [0,2,0,0,0,0|1,0,1]=4 320 B8R0.23 CC(C)C(N)CC(=O)O M22680 [0,2,0,0,0,0|1,0,0]=3 321 B8R0.23 CC(C)C[C@@H](O)C(=O)O P39959 [0,2,0,0,0,0|1,0,0]=3 322 B8R0.23 CC(C)N(C)CC(=O)O P42706 [0,2,0,0,0,0|2,0,0]=4 323 B8R0.23 CC(C)[C@@H](N)CC(=O)O P38250 [0,2,0,0,0,0|1,0,0]=3 324 B8R0.23 CC(C)[C@@H](N)CC(=O)O Q68993 [0,2,0,0,0,0|1,0,0]=3 325 B8R0.23 CC(C)[C@H](N)CC(=O)O P36212 [0,2,0,0,0,0|1,0,0]=3 326 B8R0.23 CC(C)[C@H](N)CC(=O)O Q68999 [0,2,0,0,0,0|1,0,0]=3 327 B8R0.23 CN(C)C[C@H](N)C(=O)O P43074 [0,2,0,0,0,0|2,0,0]=4 328 B8R0.23 C[C@@H](CC(=O)O)C(=O)O P39685 [0,2,0,0,0,0|1,0,1]=4 329 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O Q68990 [0,2,0,0,0,0|1,0,0]=3 330 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O Q68992 [0,2,0,0,0,0|1,0,0]=3 331 B8R0.34 COC(C)(C)CC(=O)O O32626 [0,2,0,0,0,0|2,0,0]=4 332 B8R0.3 C#CC[C@@H](N)C(=O)OC Q65834 [0,2,0,0,0,0|1,0,1]=4 333 B8R0.3 C#CC[C@H](N)C(=O)OC P40730 [0,2,0,0,0,0|1,0,1]=4 334 B8R0.3 CCCC(N)C(=O)OC P43113 [0,2,0,0,0,0|1,0,0]=3 335 B8R0.6 CNCCCC(=O)OC H-8710 [0,2,0,0,0,0|0,0,0]=2 336 B8R0.6 COC(=O)CCCCN P38983 [0,2,0,0,0,0|0,0,0]=2 337 B8R0.8 C#CCCC(N)C(=O)O P39732 [0,2,0,0,0,0|1,0,0]=3 338 B8R0.8 C#CCOC(C)C(=O)O O29907 [0,2,0,0,0,0|1,0,1]=4 339 B8R0.8 C=CCCC(N)C(=O)O P40793 [0,2,0,0,0,0|1,0,0]=3 340 B8R0.8 C=CCCC(N)C(N)=O Q65911 [0,2,0,0,0,0|2,0,0]=4 341 B8R0.8 C=CCC[C@@H](N)C(=O)O P42941 [0,2,0,0,0,0|1,0,0]=3 342 B8R0.8 C=CCC[C@H](N)C(=O)O P35206 [0,2,0,0,0,0|1,0,0]=3 343 B8R0.8 CC#CC[C@@H](N)C(=O)O Q65835 [0,2,0,0,0,0|1,0,1]=4 344 B8R0.8 CC#CC[C@H](N)C(=O)O Q65833 [0,2,0,0,0,0|1,0,1]=4 345 B8R0.8 CC(=O)N(C)CCCN P35843 [0,2,0,0,0,0|1,0,0]=3 346 B8R0.8 CC(C)C(=O)NCCN P37576 [0,2,0,0,0,0|2,0,0]=4 347 B8R0.8 C[Se]CC[C@H](N)C(=O)O P38844 [0,2,0,0,0,0|1,0,0]=3 348 B8R0.8 N[C@H](CCCO)C(=O)O P37057 [0,2,0,0,0,0|1,0,0]=3 349 B8R0.8 [N-]=[N+]=NC[C@@H](N)C(=O)O M22741 [0,2,0,0,0,0|1,0,1]=4 350 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O P40814 [0,2,0,0,0,0|1,0,1]=4 351 B8R0.9 C=CC(N)CCC(=O)O M15322 [0,2,0,0,0,0|0,0,0]=2 352 B8R0.9 CCC(C)OCC(=O)O P34749 [0,2,0,0,0,0|1,0,0]=3 353 B8R0.9 NCC(=O)CCC(=O)O P37517 [0,2,0,0,0,0|0,0,0]=2 354 B8R0.7 C#CCCCCC(=O)O P38906 [0,2,0,0,0,0|1,0,0]=3 355 B8R0.7 C#CCOCCC(=O)O O29692 [0,2,0,0,0,0|1,0,0]=3 356 B8R0.7 CNCCCCC(=O)O P35932 [0,2,0,0,0,0|0,0,0]=2 357 B8R0.7 CNCCCNC(C)=O P37409 [0,2,0,0,0,0|1,0,0]=3 358 B8R0.7 NCCCCNC(N)=O L20055 [0,2,0,0,0,0|1,0,0]=3 359 B8R0.7 NCCOCCC(=O)O P41214 [0,2,0,0,0,0|0,0,0]=2 360 B8R0.7 [N-]=[N+]=NCCCC(=O)O 10015 [0,2,0,0,0,0|0,0,1]=3 361 B8R0.21 CS(=O)(=O)NCCCN P35493 [0,2,0,0,0,0|1,0,1]=4 362 B8R0.28 CC(C)CNCC(=O)O P38861 [0,2,0,0,0,0|1,0,0]=3 363 B8R0.28 CN(C)C\C=C\C(=O)O K12319 [0,2,0,0,0,0|0,0,2]=4 364 B8R0.12 COCC(F)(F)C(=O)O F-4245 [0,2,0,0,0,0|2,0,0]=4 365 B8R0.15 C=CCC(CC)C(=O)O Q69583 [0,2,0,0,0,0|1,0,1]=4 366 B8R0.15 CCC[C@@H](NC)C(=O)O P36548 [0,2,0,0,0,0|1,0,0]=3 367 B8R0.15 CCC[C@H](NC)C(=O)O P40204 [0,2,0,0,0,0|1,0,0]=3 368 B8R0.29 CC(=O)CCC(F)(F)F F-4856 [0,2,0,0,0,0|2,0,0]=4 369 B8R0.29 CC(C)(C)NCC(=O)O P37230 [0,2,0,0,0,0|2,0,0]=4 370 B8R0.29 CC(C)(C)OCC(=O)O P41693 [0,2,0,0,0,0|2,0,0]=4 371 B6R1.2 O=C1CCNC1 C-2247 [1,0,0,1,0,0|1,0,0]=3 372 B6R1.2 O=C1CCNC1 S72535 [1,0,0,1,0,0|1,0,0]=3 373 B6R1.2 O=C1CCOC1 B-1767 [1,0,0,1,0,0|2,0,0]=4 374 B6R1.2 O=C1CCSC1 G-7753 [1,0,0,1,0,0|2,0,0]=4 375 B6R1.2 OC1CCNC1 G-5959 [1,0,0,1,0,0|1,0,1]=4 376 B6R1.2 OC1CCNC1 I-9548 [1,0,0,1,0,0|1,0,1]=4 377 B6R1.2 S=C1NCCO1 O31137 [1,0,0,1,0,0|1,1,0]=4 378 B6R1.5 C=C1CC(N)C1 P48610 [1,0,0,1,0,0|2,0,0]=4 379 B6R1.5 CC1CC(=O)C1 L18001 [1,0,0,1,0,0|1,0,0]=3 380 B6R1.5 CC1CC(O)C1 P44316 [1,0,0,1,0,0|1,0,1]=4 381 B6R1.5 CN1CC(=O)C1 L18430 [1,0,0,1,0,0|2,0,0]=4 382 B6R1.5 CN1CC(=O)C1 P49738 [1,0,0,1,0,0|2,0,0]=4 383 B6R1.5 C[C@H]1C[C@@H](O)C1 P46931 [1,0,0,1,0,0|1,0,1]=4 384 B6R1.5 C[C@H]1C[C@H](O)C1 P47360 [1,0,0,1,0,0|1,0,1]=4 385 B6R1.5 NC1CC(=O)C1 C-3677 [1,0,0,1,0,0|1,0,0]=3 386 B6R1.5 NC1CC(=O)C1 P44186 [1,0,0,1,0,0|1,0,0]=3 387 B6R1.5 NC1CC(O)C1 C-3623 [1,0,0,1,0,0|1,0,1]=4 388 B6R1.5 NC1CC(O)C1 L13650 [1,0,0,1,0,0|1,0,1]=4 389 B6R1.5 N[C@H]1C[C@@H](O)C1 C-3619 [1,0,0,1,0,0|1,0,1]=4 390 B6R1.5 N[C@H]1C[C@@H](O)C1 P49926 [1,0,0,1,0,0|1,0,1]=4 391 B6R1.5 N[C@H]1C[C@H](O)C1 C-3620 [1,0,0,1,0,0|1,0,1]=4 392 B6R1.5 N[C@H]1C[C@H](O)C1 L14309 [1,0,0,1,0,0|1,0,1]=4 393 B6R1.5 O=C1CC(Br)C1 G-6311 [1,0,0,1,0,0|2,0,0]=4 394 B6R1.5 O=C1CC(F)C1 H-8760 [1,0,0,1,0,0|2,0,0]=4 395 B6R1.5 O=C1CC(O)C1 F-4733 [1,0,0,1,0,0|2,0,0]=4 396 B6R1.10 CC1(O)CCC1 P39996 [1,0,0,1,0,0|1,0,1]=4 397 B6R1.11 C[C@H](O)C1CC1 K13410 [1,0,0,1,0,0|1,0,1]=4 398 B6R1.1 C1=CCNCC1 C-2421 [1,0,0,1,0,0|1,0,1]=4 399 B6R1.4 CC1CCC1=O P47956 [1,0,0,1,0,0|1,0,0]=3 400 B6R1.4 CC1CCC1N P44937 [1,0,0,1,0,0|1,0,1]=4 401 B6R1.4 CC1CCC1N P47065 [1,0,0,1,0,0|1,0,1]=4 402 B6R1.4 CC1CCC1O L20058 [1,0,0,1,0,0|1,0,1]=4 403 B6R1.4 CC1OCC1=O L18036 [1,0,0,1,0,0|2,0,0]=4 404 B6R1.4 NC1CCC1F P47239 [1,0,0,1,0,0|1,0,1]=4 405 B6R1.4 NC1CCC1F Q56123 [1,0,0,1,0,0|1,0,1]=4 406 B6R1.4 NC1CCC1O P45290 [1,0,0,1,0,0|0,0,1]=3 407 B6R1.4 NC1CCC1O P48134 [1,0,0,1,0,0|0,0,1]=3 408 B6R1.4 NN1CCC1=O P48248 [1,0,0,1,0,0|1,0,0]=3 409 B6R1.4 N[C@@H]1CC[C@@H]1O P43811 [1,0,0,1,0,0|0,0,1]=3 410 B6R1.4 N[C@@H]1CC[C@@H]1O P45279 [1,0,0,1,0,0|0,0,1]=3 411 B6R1.4 N[C@@H]1CC[C@@H]1O P45323 [1,0,0,1,0,0|0,0,1]=3 412 B6R1.4 N[C@@H]1CC[C@H]1O P45283 [1,0,0,1,0,0|0,0,1]=3 413 B6R1.4 N[C@@H]1CC[C@H]1O P46699 [1,0,0,1,0,0|0,0,1]=3 414 B6R1.4 N[C@@H]1CC[C@H]1O P46700 [1,0,0,1,0,0|0,0,1]=3 415 B6R1.4 N[C@@H]1CC[C@H]1O P47798 [1,0,0,1,0,0|0,0,1]=3 416 B6R1.4 N[C@@H]1CNC1=O P44692 [1,0,0,1,0,0|1,0,0]=3 417 B6R1.4 N[C@@H]1CNC1=O P50494 [1,0,0,1,0,0|1,0,0]=3 418 B6R1.4 N[C@H]1CC[C@@H]1O O33030 [1,0,0,1,0,0|0,0,1]=3 419 B6R1.4 N[C@H]1CC[C@@H]1O P46969 [1,0,0,1,0,0|0,0,1]=3 420 B6R1.4 N[C@H]1CC[C@H]1O P45237 [1,0,0,1,0,0|0,0,1]=3 421 B6R1.4 N[C@H]1CC[C@H]1O P46397 [1,0,0,1,0,0|0,0,1]=3 422 B6R1.4 N[C@H]1CNC1=O P44185 [1,0,0,1,0,0|1,0,0]=3 423 B6R1.4 N[C@H]1CNC1=O Q52584 [1,0,0,1,0,0|1,0,0]=3 424 B6R1.4 O=C1CCC1Br P49445 [1,0,0,1,0,0|1,0,0]=3 425 B6R1.4 O=C1CCC1O P47312 [1,0,0,1,0,0|1,0,0]=3 426 B6R1.4 O=C1NCC1O P45440 [1,0,0,1,0,0|2,0,0]=4 427 B6R1.4 OC1CCC1F P46352 [1,0,0,1,0,0|1,0,1]=4 428 B6R1.4 OC1CCC1O P50009 [1,0,0,1,0,0|1,0,1]=4 429 B6R1.4 O[C@@H]1CC[C@H]1O P45708 [1,0,0,1,0,0|1,0,1]=4 430 B6R1.4 O[C@H]1CC[C@H]1O P45709 [1,0,0,1,0,0|1,0,1]=4 431 B6R1.6 BrCC1CCO1 F-4066 [1,0,0,1,0,0|1,0,1]=4 432 B6R1.6 CCC1CCN1 P47056 [1,0,0,1,0,0|1,0,1]=4 433 B6R1.6 CCC1CCN1 P48764 [1,0,0,1,0,0|1,0,1]=4 434 B6R1.6 FCC1CCN1 P47490 [1,0,0,1,0,0|1,0,1]=4 435 B6R1.6 FC[C@@H]1CCN1 P45171 [1,0,0,1,0,0|1,0,1]=4 436 B6R1.6 FC[C@H]1CCN1 P47579 [1,0,0,1,0,0|1,0,1]=4 437 B6R1.6 ICC1CCO1 G-7249 [1,0,0,1,0,0|1,0,1]=4 438 B6R1.6 N#CC1CCN1 P45204 [1,0,0,1,0,0|1,0,1]=4 439 B6R1.6 N#CC1CCN1 P46449 [1,0,0,1,0,0|1,0,1]=4 440 B6R1.6 N#C[C@@H]1CCN1 L14917 [1,0,0,1,0,0|1,0,1]=4 441 B6R1.6 N#C[C@@H]1CCN1 P47568 [1,0,0,1,0,0|1,0,1]=4 442 B6R1.6 N#C[C@H]1CCN1 P45978 [1,0,0,1,0,0|1,0,1]=4 443 B6R1.6 N#C[C@H]1CCN1 P47634 [1,0,0,1,0,0|1,0,1]=4 444 B6R1.6 NCC1CCC1 C-2308 [1,0,0,1,0,0|1,0,1]=4 445 B6R1.6 NCC1CCC1 L13986 [1,0,0,1,0,0|1,0,1]=4 446 B6R1.6 NCC1CCN1 G-5892 [1,0,0,1,0,0|1,0,1]=4 447 B6R1.6 NCC1CCN1 P49927 [1,0,0,1,0,0|1,0,1]=4 448 B6R1.6 NCC1CCO1 F-4044 [1,0,0,1,0,0|0,0,1]=3 449 B6R1.6 NCC1CCS1 Q58811 [1,0,0,1,0,0|0,1,1]=4 450 B6R1.6 NCC1CNC1 P39611 [1,0,0,1,0,0|2,0,0]=4 451 B6R1.6 NCC1CNC1 P49682 [1,0,0,1,0,0|2,0,0]=4 452 B6R1.6 NCC1COC1 C-2244 [1,0,0,1,0,0|2,0,0]=4 453 B6R1.6 NCC1COC1 L21567 [1,0,0,1,0,0|2,0,0]=4 454 B6R1.6 NCC1CSC1 G-7410 [1,0,0,1,0,0|2,0,0]=4 455 B6R1.6 NCC1CSC1 H-8020 [1,0,0,1,0,0|2,0,0]=4 456 B6R1.6 NC[C@@H]1CCO1 Q56226 [1,0,0,1,0,0|0,0,1]=3 457 B6R1.6 NC[C@H]1CCO1 Q64388 [1,0,0,1,0,0|0,0,1]=3 458 B6R1.6 O=CC1COC1 L21547 [1,0,0,1,0,0|2,0,0]=4 459 B6R1.6 OCC1CCN1 G-7151 [1,0,0,1,0,0|0,0,1]=3 460 B6R1.6 OCC1CCO1 F-4043 [1,0,0,1,0,0|1,0,1]=4 461 B6R1.6 OC[C@@H]1CCN1 B-1106 [1,0,0,1,0,0|0,0,1]=3 462 B6R1.6 OC[C@@H]1CCN1 P36030 [1,0,0,1,0,0|0,0,1]=3 463 B6R1.6 OC[C@@H]1CCO1 Q56225 [1,0,0,1,0,0|1,0,1]=4 464 B6R1.6 OC[C@H]1CCN1 B-1105 [1,0,0,1,0,0|0,0,1]=3 465 B6R1.6 OC[C@H]1CCN1 P35007 [1,0,0,1,0,0|0,0,1]=3 466 B6R1.6 OC[C@H]1CCO1 Q53294 [1,0,0,1,0,0|1,0,1]=4 467 B8R1.1 C=CC1CCC(=O)C1 Q57034 [0,1,0,1,0,0|2,0,0]=4 468 B8R1.1 C=CC1COC(=O)C1 F-4407 [0,1,0,1,0,0|1,0,1]=4 469 B8R1.1 CNC1CNC(=O)C1 L19088 [0,1,0,1,0,0|2,0,0]=4 470 B8R1.1 CN[C@H]1CNC(=O)C1 Q61671 [0,1,0,1,0,0|2,0,0]=4 471 B8R1.1 COC1CCC(N)C1 L22158 [0,1,0,1,0,0|1,0,1]=4 472 B8R1.1 COC1CCC(N)C1 Q52668 [0,1,0,1,0,0|1,0,1]=4 473 B8R1.1 CO[C@@H]1CC[C@@H](N)C1 O33204 [0,1,0,1,0,0|1,0,1]=4 474 B8R1.1 CO[C@@H]1CC[C@@H](N)C1 Q64245 [0,1,0,1,0,0|1,0,1]=4 475 B8R1.1 CO[C@@H]1CC[C@H](N)C1 Q64243 [0,1,0,1,0,0|1,0,1]=4 476 B8R1.1 CO[C@@H]1CC[C@H](N)C1 Q64248 [0,1,0,1,0,0|1,0,1]=4 477 B8R1.1 CO[C@H]1CC[C@@H](N)C1 O33413 [0,1,0,1,0,0|1,0,1]=4 478 B8R1.1 CO[C@H]1CC[C@@H](N)C1 Q64247 [0,1,0,1,0,0|1,0,1]=4 479 B8R1.1 CO[C@H]1CC[C@H](N)C1 Q64244 [0,1,0,1,0,0|1,0,1]=4 480 B8R1.1 CO[C@H]1CC[C@H](N)C1 Q64246 [0,1,0,1,0,0|1,0,1]=4 481 B8R1.1 N#C[C@@H]1CCC(=O)C1 Q55084 [0,1,0,1,0,0|1,0,1]=4 482 B8R1.1 N#C[C@H]1CCC(=O)C1 Q55085 [0,1,0,1,0,0|1,0,1]=4 483 B8R1.1 NCC1CC(O)CN1 Q59300 [0,1,0,1,0,0|1,0,1]=4 484 B8R1.1 NCC1CNC(=O)C1 G-5016 [0,1,0,1,0,0|1,0,0]=3 485 B8R1.1 NCC1CNC(=O)C1 G-5352 [0,1,0,1,0,0|1,0,0]=3 486 B8R1.1 NCC1CNC(=O)O1 F-4726 [0,1,0,1,0,0|0,0,0]=2 487 B8R1.1 NCC1CNC(=O)O1 L13152 [0,1,0,1,0,0|0,0,0]=2 488 B8R1.1 NCC1COC(=O)N1 L13942 [0,1,0,1,0,0|1,0,0]=3 489 B8R1.1 NC[C@@H]1CCC(=O)N1 10036 [0,1,0,1,0,0|1,0,0]=3 490 B8R1.1 NC[C@@H]1CCC(=O)N1 O33611 [0,1,0,1,0,0|1,0,0]=3 491 B8R1.1 NC[C@@H]1CC[C@@H](O)C1 Q57119 [0,1,0,1,0,0|1,0,1]=4 492 B8R1.1 NC[C@@H]1CC[C@H](O)C1 Q57118 [0,1,0,1,0,0|1,0,1]=4 493 B8R1.1 NC[C@@H]1CNC(=O)C1 I-9821 [0,1,0,1,0,0|1,0,0]=3 494 B8R1.1 NC[C@@H]1CNC(=O)C1 L13273 [0,1,0,1,0,0|1,0,0]=3 495 B8R1.1 NC[C@@H]1CNC(=O)O1 L13195 [0,1,0,1,0,0|0,0,0]=2 496 B8R1.1 NC[C@H]1CCC(=O)N1 10096 [0,1,0,1,0,0|1,0,0]=3 497 B8R1.1 NC[C@H]1CC[C@@H](O)C1 Q57121 [0,1,0,1,0,0|1,0,1]=4 498 B8R1.1 NC[C@H]1CC[C@H](O)C1 Q57120 [0,1,0,1,0,0|1,0,1]=4 499 B8R1.1 NC[C@H]1CNC(=O)C1 I-9497 [0,1,0,1,0,0|1,0,0]=3 500 B8R1.1 NC[C@H]1CNC(=O)C1 L13364 [0,1,0,1,0,0|1,0,0]=3 501 B8R1.1 NC[C@H]1CNC(=O)O1 L22235 [0,1,0,1,0,0|0,0,0]=2 502 B8R1.1 O=C1CC(CO)CN1 M22864 [0,1,0,1,0,0|2,0,0]=4 503 B8R1.1 O=C1CC(CO)CO1 H-8701 [0,1,0,1,0,0|1,0,0]=3 504 B8R1.1 O=C1CCC(CO)C1 Q62791 [0,1,0,1,0,0|2,0,0]=4 505 B8R1.1 O=C1CCC(CO)N1 M23573 [0,1,0,1,0,0|2,0,0]=4 506 B8R1.1 O=C1CC[C@@H](CBr)C1 Q64130 [0,1,0,1,0,0|2,0,0]=4 507 B8R1.1 O=C1CC[C@@H](CBr)N1 P36413 [0,1,0,1,0,0|2,0,0]=4 508 B8R1.1 O=C1CC[C@@H](CF)N1 Q59250 [0,1,0,1,0,0|2,0,0]=4 509 B8R1.1 O=C1CC[C@@H](CO)C1 Q62794 [0,1,0,1,0,0|2,0,0]=4 510 B8R1.1 O=C1CC[C@@H](CO)O1 K12361 [0,1,0,1,0,0|1,0,0]=3 511 B8R1.1 O=C1CC[C@H](CBr)C1 Q64129 [0,1,0,1,0,0|2,0,0]=4 512 B8R1.1 O=C1CC[C@H](CBr)N1 P34760 [0,1,0,1,0,0|2,0,0]=4 513 B8R1.1 O=C1CC[C@H](CO)C1 Q62792 [0,1,0,1,0,0|2,0,0]=4 514 B8R1.1 O=C1NCC(CO)O1 F-4693 [0,1,0,1,0,0|1,0,0]=3 515 B8R1.1 O=C1NC[C@@H](CO)O1 L13350 [0,1,0,1,0,0|1,0,0]=3 516 B8R1.1 O=C1N[C@@H](CI)CO1 10034 [0,1,0,1,0,0|2,0,0]=4 517 B8R1.1 O=C1N[C@@H](CO)CO1 10001 [0,1,0,1,0,0|2,0,0]=4 518 B8R1.1 O=C1N[C@@H](CO)CS1 K13391 [0,1,0,1,0,0|2,0,0]=4 519 B8R1.1 O=C1N[C@H](CO)CO1 10026 [0,1,0,1,0,0|2,0,0]=4 520 B8R1.1 O=C1N[C@H](CO)CS1 K13390 [0,1,0,1,0,0|2,0,0]=4 521 B8R1.4 CC1CC(=O)CCN1 D-2514 [0,1,0,1,0,0|2,0,0]=4 522 B8R1.4 CC1CC(=O)CCO1 A-836 [0,1,0,1,0,0|2,0,0]=4 523 B8R1.4 CC1CCNC(=O)C1 L13355 [0,1,0,1,0,0|2,0,0]=4 524 B8R1.4 CN1CCCC(O)C1 C-3297 [0,1,0,1,0,0|1,0,1]=4 525 B8R1.4 CN1CCC[C@@H](O)C1 G-5242 [0,1,0,1,0,0|1,0,1]=4 526 B8R1.4 CN1CCC[C@H](O)C1 G-5243 [0,1,0,1,0,0|1,0,1]=4 527 B8R1.4 CN1CCOC(=O)C1 Q54674 [0,1,0,1,0,0|2,0,0]=4 528 B8R1.4 C[C@@H]1CC(=O)CCN1 G-7641 [0,1,0,1,0,0|2,0,0]=4 529 B8R1.4 C[C@@H]1CC(=O)CCO1 H-8404 [0,1,0,1,0,0|2,0,0]=4 530 B8R1.4 C[C@@H]1CNCC(=O)N1 L13903 [0,1,0,1,0,0|2,0,0]=4 531 B8R1.4 C[C@H]1CC(=O)CCN1 G-6964 [0,1,0,1,0,0|2,0,0]=4 532 B8R1.4 C[C@H]1CC(=O)CCN1 G-7640 [0,1,0,1,0,0|2,0,0]=4 533 B8R1.4 C[C@H]1CC(=O)CCN1 Q61425 [0,1,0,1,0,0|2,0,0]=4 534 B8R1.4 C[C@H]1CC(=O)CCO1 A-837 [0,1,0,1,0,0|2,0,0]=4 535 B8R1.4 C[C@H]1CNCC(=O)N1 G-7098 [0,1,0,1,0,0|2,0,0]=4 536 B8R1.4 C[C@H]1CNCC(=O)N1 H-8010 [0,1,0,1,0,0|2,0,0]=4 537 B8R1.4 NC1=CC(=O)COC1 O33523 [0,1,0,1,0,0|1,0,1]=4 538 B8R1.4 NC1CCCC(=O)C1 P48005 [0,1,0,1,0,0|1,0,0]=3 539 B8R1.4 NC1CCCC(O)C1 F-4485 [0,1,0,1,0,0|1,0,1]=4 540 B8R1.4 NC1CCCC(O)C1 P51354 [0,1,0,1,0,0|1,0,1]=4 541 B8R1.4 NC1CCNC(=O)C1 C-2485 [0,1,0,1,0,0|1,0,0]=3 542 B8R1.4 NC1COCC(=O)C1 P46448 [0,1,0,1,0,0|1,0,0]=3 543 B8R1.4 NC1COCC(=O)C1 Q61511 [0,1,0,1,0,0|1,0,0]=3 544 B8R1.4 NC1COCC(O)C1 O33183 [0,1,0,1,0,0|1,0,1]=4 545 B8R1.4 NC1COCC(O)C1 Q61082 [0,1,0,1,0,0|1,0,1]=4 546 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 L14375 [0,1,0,1,0,0|1,0,1]=4 547 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 P45284 [0,1,0,1,0,0|1,0,1]=4 548 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 P46977 [0,1,0,1,0,0|1,0,1]=4 549 B8R1.4 N[C@@H]1CCC[C@H](O)C1 P44060 [0,1,0,1,0,0|1,0,1]=4 550 B8R1.4 N[C@@H]1COC[C@@H](O)C1 Q54626 [0,1,0,1,0,0|1,0,1]=4 551 B8R1.4 N[C@@H]1COC[C@H](O)C1 Q54624 [0,1,0,1,0,0|1,0,1]=4 552 B8R1.4 N[C@@H]1COC[C@H](O)C1 Q54625 [0,1,0,1,0,0|1,0,1]=4 553 B8R1.4 N[C@H]1CCC[C@@H](O)C1 K10840 [0,1,0,1,0,0|1,0,1]=4 554 B8R1.4 N[C@H]1CCC[C@@H](O)C1 P44061 [0,1,0,1,0,0|1,0,1]=4 555 B8R1.4 N[C@H]1CCC[C@@H](O)C1 P45304 [0,1,0,1,0,0|1,0,1]=4 556 B8R1.4 N[C@H]1CCC[C@H](O)C1 O33050 [0,1,0,1,0,0|1,0,1]=4 557 B8R1.4 N[C@H]1CCC[C@H](O)C1 P45649 [0,1,0,1,0,0|1,0,1]=4 558 B8R1.4 N[C@H]1COC[C@@H](O)C1 Q54628 [0,1,0,1,0,0|1,0,1]=4 559 B8R1.4 N[C@H]1COC[C@H](O)C1 Q54627 [0,1,0,1,0,0|1,0,1]=4 560 B8R1.4 O=C1CC(F)CCN1 Q54422 [0,1,0,1,0,0|2,0,0]=4 561 B8R1.4 O=C1CCCC(=O)C1 P44675 [0,1,0,1,0,0|2,0,0]=4 562 B8R1.4 O=C1CCCC(Br)C1 P45384 [0,1,0,1,0,0|2,0,0]=4 563 B8R1.4 O=C1CCCC(F)C1 P43987 [0,1,0,1,0,0|2,0,0]=4 564 B8R1.4 O=C1CCCC(O)C1 L18346 [0,1,0,1,0,0|2,0,0]=4 565 B8R1.4 O=C1CCC[C@H](O)C1 P47405 [0,1,0,1,0,0|2,0,0]=4 566 B8R1.4 O=C1CCOC(=O)C1 H-8796 [0,1,0,1,0,0|1,0,1]=4 567 B8R1.4 O=C1COCC(F)C1 Q54617 [0,1,0,1,0,0|2,0,0]=4 568 B8R1.4 O=C1COCC(O)C1 Q54616 [0,1,0,1,0,0|2,0,0]=4 569 B8R1.4 O[C@@H]1CNC[C@H](O)C1 Q61083 [0,1,0,1,0,0|1,0,1]=4 570 B8R1.4 O[C@H]1CNC[C@H](O)C1 Q61084 [0,1,0,1,0,0|1,0,1]=4 571 B8R1.18 CN1CC(N)CC1=O I-9643 [0,1,0,1,0,0|2,0,0]=4 572 B8R1.20 CC1CC1CC(=O)O O29360 [0,1,0,1,0,0|1,0,0]=3 573 B8R1.31 CC(=O)[C@@H]1CC[C@H]1C P50610 [0,1,0,1,0,0|2,0,0]=4 574 B8R1.31 CC(=O)[C@H]1CC[C@H]1C P45662 [0,1,0,1,0,0|2,0,0]=4 575 B8R1.31 CC1CCC1C(=O)O P45629 [0,1,0,1,0,0|1,0,0]=3 576 B8R1.31 CC1NCC1C(=O)O L22133 [0,1,0,1,0,0|1,0,0]=3 577 B8R1.31 CN1CCC1C(=O)O P49637 [0,1,0,1,0,0|0,0,0]=2 578 B8R1.31 CN1CC[C@@H]1C(=O)O H-8820 [0,1,0,1,0,0|0,0,0]=2 579 B8R1.31 CN1CC[C@H]1C(=O)O H-8821 [0,1,0,1,0,0|0,0,0]=2 580 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O L14485 [0,1,0,1,0,0|0,0,0]=2 581 B8R1.31 C[C@@H]1NC[C@H]1C(=O)O P50093 [0,1,0,1,0,0|1,0,0]=3 582 B8R1.31 C[C@H]1NC[C@@H]1C(=O)O K13449 [0,1,0,1,0,0|1,0,0]=3 583 B8R1.31 NC(=O)C1CCC1N F-4228 [0,1,0,1,0,0|1,0,0]=3 584 B8R1.31 NC1CCC1C(=O)O P47809 [0,1,0,1,0,0|0,0,0]=2 585 B8R1.31 NC1COC1C(=O)O Q56135 [0,1,0,1,0,0|0,0,0]=2 586 B8R1.31 N[C@@H]1CC[C@@H]1C(=O)O P45363 [0,1,0,1,0,0|0,0,0]=2 587 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O L13901 [0,1,0,1,0,0|0,0,0]=2 588 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O P44744 [0,1,0,1,0,0|0,0,0]=2 589 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O P45102 [0,1,0,1,0,0|0,0,0]=2 590 B8R1.31 N[C@@H]1CO[C@@H]1C(=O)O Q52861 [0,1,0,1,0,0|0,0,0]=2 591 B8R1.31 N[C@@H]1CO[C@H]1C(=O)O Q52863 [0,1,0,1,0,0|0,0,0]=2 592 B8R1.31 N[C@@H]1CO[C@H]1C(=O)O Q54778 [0,1,0,1,0,0|0,0,0]=2 593 B8R1.31 N[C@H]1CC[C@H]1C(=O)O L21391 [0,1,0,1,0,0|0,0,0]=2 594 B8R1.31 N[C@H]1CC[C@H]1C(=O)O P45103 [0,1,0,1,0,0|0,0,0]=2 595 B8R1.31 N[C@H]1CC[C@H]1C(=O)O Q53487 [0,1,0,1,0,0|0,0,0]=2 596 B8R1.31 N[C@H]1CO[C@@H]1C(=O)O Q52864 [0,1,0,1,0,0|0,0,0]=2 597 B8R1.31 N[C@H]1CO[C@H]1C(=O)O Q52862 [0,1,0,1,0,0|0,0,0]=2 598 B8R1.31 N[C@H]1CO[C@H]1C(=O)O Q54777 [0,1,0,1,0,0|0,0,0]=2 599 B8R1.31 O=C(O)C1CCC1F P47126 [0,1,0,1,0,0|1,0,0]=3 600 B8R1.31 O=C(O)C1CCC1O P49194 [0,1,0,1,0,0|1,0,0]=3 601 B8R1.31 O=C(O)C1CNC1=O P47917 [0,1,0,1,0,0|1,0,1]=4 602 B8R1.31 O=C(O)[C@@H]1CNC1=O P46680 [0,1,0,1,0,0|1,0,1]=4 603 B8R1.31 O=C(O)[C@H]1CC[C@@H]1O P48368 [0,1,0,1,0,0|1,0,0]=3 604 B8R1.31 O=C(O)[C@H]1CNC1=O P46158 [0,1,0,1,0,0|1,0,1]=4 605 B8R1.34 CC(=O)CC1CCC1 P48892 [0,1,0,1,0,0|2,0,0]=4 606 B8R1.34 CC(=O)NC1CNC1 G-5840 [0,1,0,1,0,0|2,0,0]=4 607 B8R1.34 CC(=O)NC1CNC1 P44173 [0,1,0,1,0,0|2,0,0]=4 608 B8R1.34 CC(=O)OC1CNC1 P42388 [0,1,0,1,0,0|2,0,0]=4 609 B8R1.34 CC(=O)SC1CNC1 C-3406 [0,1,0,1,0,0|2,0,0]=4 610 B8R1.34 CC(=O)SC1CNC1 P50614 [0,1,0,1,0,0|2,0,0]=4 611 B8R1.34 NC(=O)CC1CNC1 P47102 [0,1,0,1,0,0|1,0,0]=3 612 B8R1.34 NC(=O)CC1CNC1 P48716 [0,1,0,1,0,0|1,0,0]=3 613 B8R1.34 NC(=O)NC1CCC1 P45216 [0,1,0,1,0,0|2,0,0]=4 614 B8R1.34 O=C(O)C=C1CCC1 G-6914 [0,1,0,1,0,0|1,0,1]=4 615 B8R1.34 O=C(O)C=C1CNC1 P45911 [0,1,0,1,0,0|0,0,2]=4 616 B8R1.34 O=C(O)CC1CCC1 P44572 [0,1,0,1,0,0|1,0,0]=3 617 B8R1.34 O=C(O)CC1CCN1 P44826 [0,1,0,1,0,0|0,0,0]=2 618 B8R1.34 O=C(O)CC1CCO1 F-4762 [0,1,0,1,0,0|1,0,0]=3 619 B8R1.34 O=C(O)CC1CNC1 G-7532 [0,1,0,1,0,0|0,0,0]=2 620 B8R1.34 O=C(O)CC1CNC1 M22650 [0,1,0,1,0,0|0,0,0]=2 621 B8R1.34 O=C(O)CC1CNC1 P46867 [0,1,0,1,0,0|0,0,0]=2 622 B8R1.34 O=C(O)CC1COC1 F-4181 [0,1,0,1,0,0|1,0,0]=3 623 B8R1.34 O=C(O)CN1CCC1 H-8105 [0,1,0,1,0,0|1,0,0]=3 624 B8R1.34 O=C(O)C[C@@H]1CCO1 Q56144 [0,1,0,1,0,0|1,0,0]=3 625 B8R1.34 O=C(O)C[C@H]1CCO1 Q56143 [0,1,0,1,0,0|1,0,0]=3 626 B8R1.40 COC(=O)CC1CC1 G-7131 [0,1,0,1,0,0|1,0,0]=3 627 B8R1.43 N#CC1CC1C(=O)O P43783 [0,1,0,1,0,0|0,0,1]=3 628 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O L14217 [0,1,0,1,0,0|0,0,1]=3 629 B8R1.43 N#C[C@H]1C[C@H]1C(=O)O L22404 [0,1,0,1,0,0|0,0,1]=3 630 B8R1.43 NCC1CC1C(=O)O Q52566 [0,1,0,1,0,0|0,0,0]=2 631 B8R1.51 CC1(C)CCC(=O)C1 L21292 [0,1,0,1,0,0|2,0,0]=4 632 B8R1.51 CC1(C)CCC(=O)N1 P43256 [0,1,0,1,0,0|2,0,0]=4 633 B8R1.51 CC1(O)CCC(N)C1 P50831 [0,1,0,1,0,0|1,0,1]=4 634 B8R1.51 CC1(O)CCC(N)C1 Q56519 [0,1,0,1,0,0|1,0,1]=4 635 B8R1.51 C[C@]1(O)CC[C@@H](N)C1 Q56976 [0,1,0,1,0,0|1,0,1]=4 636 B8R1.51 NC1CCS(=O)(=O)C1 M15812 [0,1,0,1,0,0|1,0,1]=4 637 B8R1.51 O=C1CCC(F)(F)C1 H-8755 [0,1,0,1,0,0|2,0,0]=4 638 B8R1.53 CC1(C)CC(CN)O1 G-7998 [0,1,0,1,0,0|1,0,1]=4 639 B8R1.53 CC1(O)CC(CN)C1 P43903 [0,1,0,1,0,0|1,0,1]=4 640 B8R1.53 CC1(O)CC(CN)C1 P45971 [0,1,0,1,0,0|1,0,1]=4 641 B8R1.53 C[C@]1(O)C[C@@H](CN)C1 L13403 [0,1,0,1,0,0|1,0,1]=4 642 B8R1.53 C[C@]1(O)C[C@H](CN)C1 G-7983 [0,1,0,1,0,0|1,0,1]=4 643 B8R1.53 C[C@]1(O)C[C@H](CN)C1 P50097 [0,1,0,1,0,0|1,0,1]=4 644 B8R1.53 NCC1CS(=O)(=O)C1 Q62797 [0,1,0,1,0,0|1,0,1]=4 645 B8R1.62 CC1(CO)CC(=O)C1 G-7478 [0,1,0,1,0,0|2,0,0]=4 646 B8R1.62 NCC1(O)CC(O)C1 P46039 [0,1,0,1,0,0|1,0,1]=4 647 B8R1.2 COC1CCCNC1 C-3504 [0,1,0,1,0,0|1,0,1]=4 648 B8R1.2 COC1CCCNC1 M22805 [0,1,0,1,0,0|1,0,1]=4 649 B8R1.2 CO[C@@H]1CCCNC1 G-7538 [0,1,0,1,0,0|1,0,1]=4 650 B8R1.2 CO[C@@H]1CCCNC1 L13637 [0,1,0,1,0,0|1,0,1]=4 651 B8R1.2 CO[C@H]1CCCNC1 G-5239 [0,1,0,1,0,0|1,0,1]=4 652 B8R1.2 CO[C@H]1CCCNC1 L21633 [0,1,0,1,0,0|1,0,1]=4 653 B8R1.2 O=CC1CCCCO1 Q60246 [0,1,0,1,0,0|1,0,1]=4 654 B8R1.2 OC[C@@H]1CCCNC1 P44488 [0,1,0,1,0,0|1,0,1]=4 655 B8R1.2 OC[C@H]1CCCNC1 O31559 [0,1,0,1,0,0|1,0,1]=4 656 B8R1.2 OC[C@H]1CCCNC1 P41232 [0,1,0,1,0,0|1,0,1]=4 657 B8R1.3 C=C1CCC(N)CC1 L19013 [0,1,0,1,0,0|2,0,0]=4 658 B8R1.3 CC1C=CC(=O)CC1 K12331 [0,1,0,1,0,0|2,0,0]=4 659 B8R1.3 CC1CCC(=O)NC1 L13409 [0,1,0,1,0,0|2,0,0]=4 660 B8R1.3 CC1CCC(O)CN1 Q61256 [0,1,0,1,0,0|1,0,1]=4 661 B8R1.3 CC1CCC(O)CN1 Q61257 [0,1,0,1,0,0|1,0,1]=4 662 B8R1.3 CC1CNC(=O)CN1 P35228 [0,1,0,1,0,0|2,0,0]=4 663 B8R1.3 C[C@@H]1CCC(=O)CN1 Q56751 [0,1,0,1,0,0|1,0,0]=3 664 B8R1.3 C[C@@H]1CCC(=O)CN1 Q56752 [0,1,0,1,0,0|1,0,0]=3 665 B8R1.3 C[C@@H]1CC[C@@H](O)CN1 Q56745 [0,1,0,1,0,0|1,0,1]=4 666 B8R1.3 C[C@@H]1CC[C@H](O)CN1 P45650 [0,1,0,1,0,0|1,0,1]=4 667 B8R1.3 C[C@@H]1CC[C@H](O)CN1 Q56748 [0,1,0,1,0,0|1,0,1]=4 668 B8R1.3 C[C@@H]1CC[C@H](O)CN1 Q56749 [0,1,0,1,0,0|1,0,1]=4 669 B8R1.3 C[C@@H]1CNC(=O)CN1 L14453 [0,1,0,1,0,0|2,0,0]=4 670 B8R1.3 C[C@H]1CCC(=O)CN1 Q56753 [0,1,0,1,0,0|1,0,0]=3 671 B8R1.3 C[C@H]1CCC(=O)CN1 Q56754 [0,1,0,1,0,0|1,0,0]=3 672 B8R1.3 C[C@H]1CC[C@@H](O)CN1 P50092 [0,1,0,1,0,0|1,0,1]=4 673 B8R1.3 C[C@H]1CC[C@@H](O)CN1 Q56719 [0,1,0,1,0,0|1,0,1]=4 674 B8R1.3 C[C@H]1CC[C@H](O)CN1 Q56728 [0,1,0,1,0,0|1,0,1]=4 675 B8R1.3 C[C@H]1CC[C@H](O)CN1 Q56729 [0,1,0,1,0,0|1,0,1]=4 676 B8R1.3 C[C@H]1CNC(=O)CN1 L13879 [0,1,0,1,0,0|2,0,0]=4 677 B8R1.3 NC1CCC(=O)CC1 P36686 [0,1,0,1,0,0|1,0,0]=3 678 B8R1.3 NC1CCC(=O)NC1 C-3401 [0,1,0,1,0,0|1,0,0]=3 679 B8R1.3 NC1CCC(O)CC1 P44662 [0,1,0,1,0,0|1,0,1]=4 680 B8R1.3 NC1CCC(O)CC1 P44669 [0,1,0,1,0,0|1,0,1]=4 681 B8R1.3 NC1CCS(=O)CC1 Q54883 [0,1,0,1,0,0|2,0,0]=4 682 B8R1.3 NC1CCS(=O)CC1 Q54884 [0,1,0,1,0,0|2,0,0]=4 683 B8R1.3 N[C@@H]1CCC(=O)NC1 L21492 [0,1,0,1,0,0|1,0,0]=3 684 B8R1.3 N[C@H]1CCC(=O)NC1 L21629 [0,1,0,1,0,0|1,0,0]=3 685 B8R1.3 N[C@H]1CC[C@@H](O)CC1 L13980 [0,1,0,1,0,0|1,0,1]=4 686 B8R1.3 N[C@H]1CC[C@H](O)CC1 G-6922 [0,1,0,1,0,0|1,0,1]=4 687 B8R1.3 N[C@H]1CC[C@H](O)CC1 P45541 [0,1,0,1,0,0|1,0,1]=4 688 B8R1.3 O=C1CCC(=O)NC1 Q52611 [0,1,0,1,0,0|1,0,1]=4 689 B8R1.3 O=C1CCC(=O)OC1 K12424 [0,1,0,1,0,0|1,0,1]=4 690 B8R1.3 O=C1CCC(Br)CC1 P39565 [0,1,0,1,0,0|2,0,0]=4 691 B8R1.3 O=C1CCC(F)CC1 L21631 [0,1,0,1,0,0|2,0,0]=4 692 B8R1.3 O=C1CCC(F)CN1 Q54421 [0,1,0,1,0,0|2,0,0]=4 693 B8R1.3 O=C1CC[C@H](O)CN1 Q52728 [0,1,0,1,0,0|2,0,0]=4 694 B8R1.5 CC1CCCNC1=O L13669 [0,1,0,1,0,0|1,0,1]=4 695 B8R1.5 CC1CCNCC1=O F-4040 [0,1,0,1,0,0|1,0,0]=3 696 B8R1.5 CC1CCNCC1O F-4041 [0,1,0,1,0,0|1,0,1]=4 697 B8R1.5 CC1CCNCC1O G-7991 [0,1,0,1,0,0|1,0,1]=4 698 B8R1.5 CC1NCCCC1O Q61133 [0,1,0,1,0,0|1,0,1]=4 699 B8R1.5 CC1NCCNC1=O O34501 [0,1,0,1,0,0|2,0,0]=4 700 B8R1.5 CN1CCNCC1=O G-5499 [0,1,0,1,0,0|2,0,0]=4 701 B8R1.5 CN1CCNCC1=O G-5499-1 [0,1,0,1,0,0|2,0,0]=4 702 B8R1.5 C[C@@H]1CCNC[C@@H]1O G-6540 [0,1,0,1,0,0|1,0,1]=4 703 B8R1.5 C[C@@H]1CCNC[C@@H]1O Q56504 [0,1,0,1,0,0|1,0,1]=4 704 B8R1.5 C[C@@H]1CCNC[C@H]1O Q56503 [0,1,0,1,0,0|1,0,1]=4 705 B8R1.5 C[C@@H]1NCCC[C@@H]1O Q61250 [0,1,0,1,0,0|1,0,1]=4 706 B8R1.5 C[C@@H]1NCCC[C@H]1O Q61249 [0,1,0,1,0,0|1,0,1]=4 707 B8R1.5 C[C@@H]1NCCNC1=O O34331 [0,1,0,1,0,0|2,0,0]=4 708 B8R1.5 C[C@H]1CCNC[C@@H]1O G-6539 [0,1,0,1,0,0|1,0,1]=4 709 B8R1.5 C[C@H]1NCCC[C@@H]1O Q61135 [0,1,0,1,0,0|1,0,1]=4 710 B8R1.5 C[C@H]1NCCC[C@@H]1O Q61248 [0,1,0,1,0,0|1,0,1]=4 711 B8R1.5 C[C@H]1NCCC[C@H]1O Q61134 [0,1,0,1,0,0|1,0,1]=4 712 B8R1.5 C[C@H]1NCCC[C@H]1O Q61251 [0,1,0,1,0,0|1,0,1]=4 713 B8R1.5 C[C@H]1NCCNC1=O O34330 [0,1,0,1,0,0|2,0,0]=4 714 B8R1.5 NC1CCCCC1=O P45934 [0,1,0,1,0,0|2,0,0]=4 715 B8R1.5 NN1CCCCC1=O B-1138 [0,1,0,1,0,0|2,0,0]=4 716 B8R1.5 N[C@@H]1CCCNC1=O O34375 [0,1,0,1,0,0|1,0,1]=4 717 B8R1.5 N[C@@H]1CCNC[C@@H]1O Q52229 [0,1,0,1,0,0|1,0,1]=4 718 B8R1.5 N[C@@H]1CCNC[C@@H]1O Q52230 [0,1,0,1,0,0|1,0,1]=4 719 B8R1.5 N[C@@H]1CCNC[C@H]1O Q52224 [0,1,0,1,0,0|1,0,1]=4 720 B8R1.5 N[C@@H]1CCNC[C@H]1O Q52225 [0,1,0,1,0,0|1,0,1]=4 721 B8R1.5 N[C@H]1CCCNC1=O O34462 [0,1,0,1,0,0|1,0,1]=4 722 B8R1.5 N[C@H]1CCNC[C@@H]1O Q52226 [0,1,0,1,0,0|1,0,1]=4 723 B8R1.5 N[C@H]1CCNC[C@H]1O Q52227 [0,1,0,1,0,0|1,0,1]=4 724 B8R1.5 N[C@H]1CCNC[C@H]1O Q52228 [0,1,0,1,0,0|1,0,1]=4 725 B8R1.5 O=C1CCCCC1Br L21639 [0,1,0,1,0,0|2,0,0]=4 726 B8R1.5 O=C1CCCCC1F P45307 [0,1,0,1,0,0|2,0,0]=4 727 B8R1.5 O=C1CCCNC1=O S72799 [0,1,0,1,0,0|0,0,1]=3 728 B8R1.5 O=C1COCCC1Br Q54651 [0,1,0,1,0,0|2,0,0]=4 729 B8R1.5 O=C1NCCCC1Br L18696 [0,1,0,1,0,0|1,0,1]=4 730 B8R1.5 O=C1NCCC[C@@H]1O P36280 [0,1,0,1,0,0|0,0,1]=3 731 B8R1.5 O=C1NCCC[C@H]1O P39619 [0,1,0,1,0,0|0,0,1]=3 732 B8R1.5 O=C1OCCCC1Br L20669 [0,1,0,1,0,0|1,0,0]=3 733 B8R1.5 O[C@@H]1CNCC[C@H]1F G-6836 [0,1,0,1,0,0|1,0,1]=4 734 B8R1.5 O[C@@H]1CNCC[C@H]1F L13235 [0,1,0,1,0,0|1,0,1]=4 735 B8R1.5 O[C@H]1CCNC[C@@H]1O H-8035 [0,1,0,1,0,0|1,0,1]=4 736 B8R1.5 O[C@H]1CCNC[C@@H]1O O33528 [0,1,0,1,0,0|1,0,1]=4 737 B8R1.5 O[C@H]1CCNC[C@H]1O Q59861 [0,1,0,1,0,0|1,0,1]=4 738 B8R1.5 O[C@H]1CNCC[C@H]1F Q52403 [0,1,0,1,0,0|1,0,1]=4 739 B8R1.5 O[C@H]1CNCC[C@H]1F Q65042 [0,1,0,1,0,0|1,0,1]=4 740 B8R1.5 O[C@H]1CNCC[C@H]1O G-6972 [0,1,0,1,0,0|1,0,1]=4 741 B8R1.5 O[C@H]1CNCC[C@H]1O Q59948 [0,1,0,1,0,0|1,0,1]=4 742 B8R1.22 O=C1CCCNCC1 A-576 [0,1,0,1,0,0|1,0,0]=3 743 B8R1.22 O=C1CCNCCN1 Q52595 [0,1,0,1,0,0|2,0,0]=4 744 B8R1.22 O=C1CNCCCN1 O34379 [0,1,0,1,0,0|1,0,0]=3 745 B8R1.22 O=C1CNCCNC1 P46870 [0,1,0,1,0,0|1,0,0]=3 746 B8R1.22 OC1CNCCNC1 P46534 [0,1,0,1,0,0|1,0,1]=4 747 B8R1.38 CCC(=O)C1CCC1 P45339 [0,1,0,1,0,0|2,0,0]=4 748 B8R1.38 CNC(=O)C1CCC1 P49094 [0,1,0,1,0,0|2,0,0]=4 749 B8R1.38 COC(=O)C1C=CC1 P47818 [0,1,0,1,0,0|1,0,1]=4 750 B8R1.38 COC(=O)C1CCC1 P45206 [0,1,0,1,0,0|1,0,0]=3 751 B8R1.38 COC(=O)C1CCN1 F-4237 [0,1,0,1,0,0|0,0,0]=2 752 B8R1.38 COC(=O)C1CNC1 A-420 [0,1,0,1,0,0|2,0,0]=4 753 B8R1.38 COC(=O)C1CNC1 F-4426 [0,1,0,1,0,0|2,0,0]=4 754 B8R1.38 COC(=O)C1COC1 L13768 [0,1,0,1,0,0|2,0,0]=4 755 B8R1.38 COC(=O)[C@@H]1CCN1 G-7134 [0,1,0,1,0,0|0,0,0]=2 756 B8R1.38 COC(=O)[C@H]1CCN1 G-7965 [0,1,0,1,0,0|0,0,0]=2 757 B8R1.38 NCC(=O)C1CCC1 L19863 [0,1,0,1,0,0|2,0,0]=4 758 B8R1.38 NNC(=O)C1CCC1 P44614 [0,1,0,1,0,0|2,0,0]=4 759 B8R1.38 O=C(CBr)C1CCC1 P44370 [0,1,0,1,0,0|2,0,0]=4 760 B8R1.38 O=C(CCl)C1CCC1 P45495 [0,1,0,1,0,0|2,0,0]=4 761 B8R1.38 O=C(CO)C1CCC1 P45459 [0,1,0,1,0,0|1,0,0]=3 762 B8R1.38 O=C(NO)C1CCC1 P45195 [0,1,0,1,0,0|1,0,0]=3 763 B8R1.47 COC1CC(CN)C1 P44011 [0,1,0,1,0,0|1,0,1]=4 764 B8R1.47 CO[C@H]1C[C@@H](CN)C1 L21686 [0,1,0,1,0,0|1,0,1]=4 765 B8R1.47 CO[C@H]1C[C@@H](CN)C1 P43904 [0,1,0,1,0,0|1,0,1]=4 766 B8R1.47 CO[C@H]1C[C@H](CN)C1 O33186 [0,1,0,1,0,0|1,0,1]=4 767 B8R1.47 CO[C@H]1C[C@H](CN)C1 P48158 [0,1,0,1,0,0|1,0,1]=4 768 B8R1.47 NCC1CC(CO)C1 P46501 [0,1,0,1,0,0|1,0,1]=4 769 B8R1.47 NC[C@H]1C[C@@H](CO)C1 P47261 [0,1,0,1,0,0|1,0,1]=4 770 B8R1.47 NC[C@H]1C[C@H](CO)C1 P47260 [0,1,0,1,0,0|1,0,1]=4 771 B8R1.50 CN1CC[C@@H](N)C1=O Q62091 [0,1,0,1,0,0|2,0,0]=4 772 B8R1.50 CN1CC[C@@H](N)C1=O Q63628 [0,1,0,1,0,0|2,0,0]=4 773 B8R1.50 CN1CC[C@H](N)C1=O Q62092 [0,1,0,1,0,0|2,0,0]=4 774 B8R1.50 CN1CC[C@H](N)C1=O Q63629 [0,1,0,1,0,0|2,0,0]=4 775 B8R1.52 CC1(CO)CCCN1 S72618 [0,1,0,1,0,0|1,0,1]=4 776 B8R1.52 C[C@@]1(CO)CCCN1 G-7385 [0,1,0,1,0,0|1,0,1]=4 777 B8R1.52 C[C@]1(CO)CCCN1 G-7388 [0,1,0,1,0,0|1,0,1]=4 778 B8R1.6 CCCC1CC(=O)C1 P45457 [0,1,0,1,0,0|2,0,0]=4 779 B8R1.6 CCOC1CC(=O)C1 P45782 [0,1,0,1,0,0|2,0,0]=4 780 B8R1.6 CNCC1CC(O)C1 P48824 [0,1,0,1,0,0|1,0,1]=4 781 B8R1.6 COCC1CC(=O)C1 P42770 [0,1,0,1,0,0|2,0,0]=4 782 B8R1.6 N#CCC1CC(=O)C1 L18034 [0,1,0,1,0,0|1,0,1]=4 783 B8R1.6 NCCN1CC(O)C1 P49007 [0,1,0,1,0,0|1,0,1]=4 784 B8R1.7 CC(=O)C1CCCN1 P37169 [0,1,0,1,0,0|1,0,0]=3 785 B8R1.7 CC(=O)C1CCCN1 Q61985 [0,1,0,1,0,0|1,0,0]=3 786 B8R1.7 CC(=O)C1CCNC1 O31491 [0,1,0,1,0,0|1,0,0]=3 787 B8R1.7 CC(=O)C1NCCS1 M15825 [0,1,0,1,0,0|1,0,0]=3 788 B8R1.7 CC(=O)[C@@H]1CCCN1 Q61986 [0,1,0,1,0,0|1,0,0]=3 789 B8R1.7 CC(=O)[C@@H]1CCCN1 Q62844 [0,1,0,1,0,0|1,0,0]=3 790 B8R1.7 CC(=O)[C@H]1CCCN1 Q62845 [0,1,0,1,0,0|1,0,0]=3 791 B8R1.7 CC(O)C1CCNC1 P41560 [0,1,0,1,0,0|1,0,1]=4 792 B8R1.7 CC(O)C1CCNC1 Q59351 [0,1,0,1,0,0|1,0,1]=4 793 B8R1.7 NC(=O)C1CCCC1 P38833 [0,1,0,1,0,0|2,0,0]=4 794 B8R1.7 NC(=O)C1CCCN1 P39079 [0,1,0,1,0,0|1,0,0]=3 795 B8R1.7 NC(=O)C1CCCN1 P42514 [0,1,0,1,0,0|1,0,0]=3 796 B8R1.7 NC(=O)C1CCNC1 G-5260 [0,1,0,1,0,0|1,0,0]=3 797 B8R1.7 NC(=O)C1CCOC1 G-6625 [0,1,0,1,0,0|2,0,0]=4 798 B8R1.7 NC(=O)[C@@H]1CCCN1 I-9393 [0,1,0,1,0,0|1,0,0]=3 799 B8R1.7 NC(=O)[C@@H]1CCCN1 P45231 [0,1,0,1,0,0|1,0,0]=3 800 B8R1.7 NC(=O)[C@@H]1CCNC1 G-5262 [0,1,0,1,0,0|1,0,0]=3 801 B8R1.7 NC(=O)[C@@H]1CCNC1 G-7539 [0,1,0,1,0,0|1,0,0]=3 802 B8R1.7 NC(=O)[C@H]1CCNC1 G-5261 [0,1,0,1,0,0|1,0,0]=3 803 B8R1.7 NC(=O)[C@H]1CCNC1 Q51836 [0,1,0,1,0,0|1,0,0]=3 804 B8R1.7 O=C(O)C1=COCC1 C-2964 [0,1,0,1,0,0|1,0,1]=4 805 B8R1.7 O=C(O)C1CC=CC1 G-6381 [0,1,0,1,0,0|1,0,1]=4 806 B8R1.7 O=C(O)C1CCNC1 G-5249 [0,1,0,1,0,0|0,0,0]=2 807 B8R1.7 O=C(O)C1CCOC1 C-3386 [0,1,0,1,0,0|1,0,0]=3 808 B8R1.7 O=C(O)C1SCCS1 L19481 [0,1,0,1,0,0|1,0,0]=3 809 B8R1.7 O=C(O)[C@@H]1C=CCN1 P39990 [0,1,0,1,0,0|0,0,1]=3 810 B8R1.7 O=C(O)[C@@H]1CCCN1 L13796 [0,1,0,1,0,0|0,0,0]=2 811 B8R1.7 O=C(O)[C@@H]1CCNC1 L18435 [0,1,0,1,0,0|0,0,0]=2 812 B8R1.7 O=C(O)[C@@H]1CCNC1 Q51834 [0,1,0,1,0,0|0,0,0]=2 813 B8R1.7 O=C(O)[C@@H]1CCOC1 C-2786 [0,1,0,1,0,0|1,0,0]=3 814 B8R1.7 O=C(O)[C@H]1C=CCN1 M22943 [0,1,0,1,0,0|0,0,1]=3 815 B8R1.7 O=C(O)[C@H]1CCNC1 G-5250 [0,1,0,1,0,0|0,0,0]=2 816 B8R1.7 O=C(O)[C@H]1CCNC1 P45277 [0,1,0,1,0,0|0,0,0]=2 817 B8R1.7 O=C(O)[C@H]1CCOC1 C-2785 [0,1,0,1,0,0|1,0,0]=3 818 B8R1.7 O=[N+]([O-])C1CCNC1 Q64792 [0,1,0,1,0,0|1,0,1]=4 819 B8R1.35 O=C(O)CCC1CC1 P37405 [0,1,0,1,0,0|1,0,0]=3 820 B8R1.35 O=C(O)\C=C\C1CC1 L14104 [0,1,0,1,0,0|1,0,1]=4 821 B8R1.48 NCC1CCS1(=O)=O Q58812 [0,1,0,1,0,0|1,0,1]=4 822 B8R1.72 CC1(O)CCCNC1 A-831 [0,1,0,1,0,0|1,0,1]=4 823 B8R1.72 CC1(O)CCCNC1 M22629 [0,1,0,1,0,0|1,0,1]=4 824 B8R1.72 C[C@@]1(O)CCCNC1 Q65190 [0,1,0,1,0,0|1,0,1]=4 825 B8R1.72 C[C@]1(O)CCCNC1 P44137 [0,1,0,1,0,0|1,0,1]=4 826 B8R1.23 C=C1CC(C(=O)O)C1 D-2502 [0,1,0,1,0,0|1,0,1]=4 827 B8R1.23 CC(=O)C1CC(O)C1 H-8191 [0,1,0,1,0,0|2,0,0]=4 828 B8R1.23 CC(=O)N1CC(N)C1 G-6033 [0,1,0,1,0,0|2,0,0]=4 829 B8R1.23 CC(=O)N1CC(N)C1 P44093 [0,1,0,1,0,0|2,0,0]=4 830 B8R1.23 CC(C)C1CC(=O)N1 P45240 [0,1,0,1,0,0|2,0,0]=4 831 B8R1.23 CC(F)C1CC(=O)C1 P46360 [0,1,0,1,0,0|2,0,0]=4 832 B8R1.23 CC(N)C1CC(O)C1 P47214 [0,1,0,1,0,0|1,0,1]=4 833 B8R1.23 CC(O)C1CC(=O)C1 P46310 [0,1,0,1,0,0|2,0,0]=4 834 B8R1.23 CC1CC(C(=O)O)C1 L14063 [0,1,0,1,0,0|1,0,0]=3 835 B8R1.23 CN1CC(C(=O)O)C1 C-2243 [0,1,0,1,0,0|2,0,0]=4 836 B8R1.23 C[C@@H](N)C1CC(O)C1 K10848 [0,1,0,1,0,0|1,0,1]=4 837 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 G-6829 [0,1,0,1,0,0|1,0,0]=3 838 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 G-6830 [0,1,0,1,0,0|1,0,0]=3 839 B8R1.23 NC(=O)C1CC(N)C1 P48836 [0,1,0,1,0,0|1,0,0]=3 840 B8R1.23 NC1CC(C(=O)O)C1 G-7780 [0,1,0,1,0,0|0,0,0]=2 841 B8R1.23 NC1CC(C(=O)O)C1 P47808 [0,1,0,1,0,0|0,0,0]=2 842 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 C-2277 [0,1,0,1,0,0|0,0,0]=2 843 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 C-2277-1 [0,1,0,1,0,0|0,0,0]=2 844 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 C-2278 [0,1,0,1,0,0|0,0,0]=2 845 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 P44571 [0,1,0,1,0,0|0,0,0]=2 846 B8R1.23 O=C(O)C1CC(Cl)C1 F-4598 [0,1,0,1,0,0|1,0,0]=3 847 B8R1.23 O=C(O)C1CC(F)C1 D-2564 [0,1,0,1,0,0|1,0,0]=3 848 B8R1.23 O=C(O)C1CC(O)C1 A-876 [0,1,0,1,0,0|1,0,0]=3 849 B8R1.23 O=C(O)C1CC(O)C1 F-4100 [0,1,0,1,0,0|1,0,0]=3 850 B8R1.23 O=C(O)C1CC(O)C1 F-4101 [0,1,0,1,0,0|1,0,0]=3 851 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 L21925 [0,1,0,1,0,0|1,0,0]=3 852 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 L14175 [0,1,0,1,0,0|1,0,0]=3 853 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 L21353 [0,1,0,1,0,0|1,0,0]=3 854 B8R1.23 O=C1CC(C(=O)O)C1 D-2503 [0,1,0,1,0,0|1,0,1]=4 855 B8R1.23 O=C1CC(C(=O)O)N1 P34768 [0,1,0,1,0,0|0,0,1]=3 856 B8R1.23 O=C1CC(C(=O)O)O1 P44894 [0,1,0,1,0,0|1,0,1]=4 857 B8R1.23 O=C1CC(C(F)F)C1 P48065 [0,1,0,1,0,0|2,0,0]=4 858 B8R1.23 O=C1C[C@@H](C(=O)O)N1 I-9933 [0,1,0,1,0,0|0,0,1]=3 859 B8R1.23 O=C1C[C@H](C(=O)O)N1 I-9634 [0,1,0,1,0,0|0,0,1]=3 860 B8R1.54 NC(=O)C(N)C1CC1 L20769 [0,1,0,1,0,0|2,0,0]=4 861 B8R1.54 NC(C(=O)O)C1CC1 O27895 [0,1,0,1,0,0|1,0,0]=3 862 B8R1.54 N[C@@H](C(=O)O)C1CC1 G-5951 [0,1,0,1,0,0|1,0,0]=3 863 B8R1.54 N[C@H](C(=O)O)C1CC1 O28968 [0,1,0,1,0,0|1,0,0]=3 864 B8R1.78 CC1(C(=O)O)CCC1 G-6550 [0,1,0,1,0,0|1,0,0]=3 865 B8R1.78 CC1(C(=O)O)CCN1 P50169 [0,1,0,1,0,0|0,0,0]=2 866 B8R1.78 CC1(C(=O)O)CCO1 Q56227 [0,1,0,1,0,0|1,0,0]=3 867 B8R1.78 CC1(C(=O)O)CNC1 L18025 [0,1,0,1,0,0|2,0,0]=4 868 B8R1.78 CC1(C(=O)O)CNC1 O28316 [0,1,0,1,0,0|2,0,0]=4 869 B8R1.78 CC1(C(=O)O)COC1 C-2391 [0,1,0,1,0,0|2,0,0]=4 870 B8R1.78 NC(=O)C1(Br)CCC1 P45535 [0,1,0,1,0,0|2,0,0]=4 871 B8R1.78 NC(=O)C1(N)CCC1 L20709 [0,1,0,1,0,0|2,0,0]=4 872 B8R1.78 NC(=O)C1(N)CCC1 P44318 [0,1,0,1,0,0|2,0,0]=4 873 B8R1.78 NC(=O)C1(O)CCC1 P49176 [0,1,0,1,0,0|2,0,0]=4 874 B8R1.78 NC1(C(=O)F)CCC1 P46353 [0,1,0,1,0,0|2,0,0]=4 875 B8R1.78 NC1(C(=O)O)CCC1 G-7616 [0,1,0,1,0,0|1,0,0]=3 876 B8R1.78 NC1(C(=O)O)CCC1 L13534 [0,1,0,1,0,0|1,0,0]=3 877 B8R1.78 NC1(C(=O)O)CNC1 C-3611 [0,1,0,1,0,0|2,0,0]=4 878 B8R1.78 NC1(C(=O)O)COC1 C-3395 [0,1,0,1,0,0|2,0,0]=4 879 B8R1.78 NC1(C(=O)O)CSC1 Q56475 [0,1,0,1,0,0|2,0,0]=4 880 B8R1.78 NC1(C(=O)O)CSC1 Q56476 [0,1,0,1,0,0|2,0,0]=4 881 B8R1.78 O=C(O)C1(Br)CCC1 Q56884 [0,1,0,1,0,0|1,0,0]=3 882 B8R1.78 O=C(O)C1(F)CCC1 P46428 [0,1,0,1,0,0|1,0,0]=3 883 B8R1.78 O=C(O)C1(F)CNC1 G-7923 [0,1,0,1,0,0|2,0,0]=4 884 B8R1.78 O=C(O)C1(O)CCC1 L14796 [0,1,0,1,0,0|1,0,0]=3 885 B8R1.78 O=C(O)C1(O)CNC1 L18244 [0,1,0,1,0,0|2,0,0]=4 886 B8R1.78 O=C(O)C1(O)COC1 L21345 [0,1,0,1,0,0|2,0,0]=4 887 B8R1.78 O=C(O)C1(S)CCC1 P47778 [0,1,0,1,0,0|1,0,0]=3 888 B8R1.77 O=C(O)C1CC1(F)Cl P44593 [0,1,0,1,0,0|1,0,0]=3 889 B8R1.77 O=C(O)C1CC1(F)F L14556 [0,1,0,1,0,0|1,0,0]=3 890 B8R1.77 O=C(O)[C@@H]1CC1(F)F L14727 [0,1,0,1,0,0|1,0,0]=3 891 B8R1.55 CC(C)(O)C1CCN1 P46888 [0,1,0,1,0,0|1,0,1]=4 892 B8R1.55 CC(C)(O)C1CCN1 P47134 [0,1,0,1,0,0|1,0,1]=4 893 B8R1.55 CC(C)(O)[C@@H]1CCN1 O33222 [0,1,0,1,0,0|1,0,1]=4 894 B8R1.55 CC(C)(O)[C@H]1CCN1 O33226 [0,1,0,1,0,0|1,0,1]=4 895 B8R2.4 O=C1CC2CC1C2 P45525 [0,0,0,2,0,0|2,0,0]=4 896 B8R2.38 O=C1CC[C@@H]2C[C@H]12 Q52888 [0,0,0,2,0,0|2,0,0]=4 897 B8R2.38 O=C1CC[C@H]2C[C@@H]12 Q52887 [0,0,0,2,0,0|2,0,0]=4 898 B8R2.38 O=C1CNC2CC12 H-8711 [0,0,0,2,0,0|1,0,0]=3 899 B8R2.38 O=C1NCC2CC12 Q61923 [0,0,0,2,0,0|2,0,0]=4 900 B8R2.2 OC12CNCC1C2 Q63904 [0,0,0,2,0,0|1,0,1]=4 901 B8R2.2 OC12CNCC1C2 Q63905 [0,0,0,2,0,0|1,0,1]=4 902 B8R2.23 C1NCC2CC1O2 G-6636 [0,0,0,2,0,0|1,0,1]=4 903 B8R2.23 C1NCC2CC1O2 L13316 [0,0,0,2,0,0|1,0,1]=4 904 B8R2.53 O=C1CC2(CC2)C1 P46452 [0,0,0,2,0,0|2,0,0]=4 905 B8R2.66 O=C(O)C12CC1C2 H-8592 [0,0,0,2,0,0|1,0,0]=3