0 B6R0.6 BrCCNCCBr 35649 [0,0,0,0,0,0|3,0,0]=3 1 B6R0.6 C#CCCCCI C74272 [0,0,0,0,0,0|1,0,2]=3 2 B6R0.6 C#CCCCCN 79352 [0,0,0,0,0,0|1,0,2]=3 3 B6R0.6 C=CCNCCO W12833 [0,0,0,0,0,0|1,0,2]=3 4 B6R0.6 CC#CCCCO W16152 [0,0,0,0,0,0|0,0,2]=2 5 B6R0.6 CCOCCCBr A11082 [0,0,0,0,0,0|2,0,0]=2 6 B6R0.6 CCOCCON W15834 [0,0,0,0,0,0|3,0,0]=3 7 B6R0.6 CC\C=C/CCI 98107 [0,0,0,0,0,0|1,0,2]=3 8 B6R0.6 CNCC#CCO 68302 [0,0,0,0,0,0|1,0,2]=3 9 B6R0.6 CNCCCCBr C74879 [0,0,0,0,0,0|2,0,0]=2 10 B6R0.6 CNCCCCN D80538 [0,0,0,0,0,0|2,0,0]=2 11 B6R0.6 ClCCOCCI 12079 [0,0,0,0,0,0|3,0,0]=3 12 B6R0.6 N#CCCCCBr D77353 [0,0,0,0,0,0|2,0,1]=3 13 B6R0.6 NCCCCCBr 97997 [0,0,0,0,0,0|2,0,0]=2 14 B6R0.6 NCCNCCN D81398 [0,0,0,0,0,0|3,0,0]=3 15 B6R0.6 O=NCNCCO D93315 [0,0,0,0,0,0|3,0,0]=3 16 B6R0.6 OCCCCCO D77911 [0,0,0,0,0,0|1,0,0]=1 17 B6R0.6 OCCOCCF AT25497 [0,0,0,0,0,0|2,0,0]=2 18 B5R0.2 C#CCCCI C78094 [1,0,0,0,0,0|1,0,2]=4 19 B5R0.2 C#CCCCN 72839 [1,0,0,0,0,0|1,0,2]=4 20 B5R0.2 C#CCOCC C90311 [1,0,0,0,0,0|1,0,2]=4 21 B5R0.2 C=CCCNC W16107 [1,0,0,0,0,0|1,0,2]=4 22 B5R0.2 CCCCON 31644 [1,0,0,0,0,0|2,0,0]=3 23 B5R0.2 CNOCCN D97505 [1,0,0,0,0,0|3,0,0]=4 24 B5R0.2 COCCCO D77912 [1,0,0,0,0,0|1,0,0]=2 25 B5R0.2 NCCCCCl F19552 [1,0,0,0,0,0|2,0,0]=3 26 B5R0.2 NNCCCO AB9423 [1,0,0,0,0,0|2,0,0]=3 27 B5R0.2 O=CCCCO 55817 [1,0,0,0,0,0|1,0,1]=3 28 B7R0.1 C=CCCCCNC R10008 [0,1,0,0,0,0|1,0,1]=3 29 B7R0.1 CCCNCCCO AB4057 [0,1,0,0,0,0|0,0,0]=1 30 B7R0.1 CNCCOCCO C70229 [0,1,0,0,0,0|1,0,0]=2 31 B7R0.1 COCCOCCI AT13077 [0,1,0,0,0,0|2,0,0]=3 32 B7R0.1 COCOCCC=O 32199 [0,1,0,0,0,0|1,0,2]=4 33 B7R0.1 FCCCCCCBr A50948 [0,1,0,0,0,0|1,0,0]=2 34 B7R0.1 N#CCCNCCO D94844 [0,1,0,0,0,0|1,0,1]=3 35 B7R0.1 N#CCCOCCO Y11313 [0,1,0,0,0,0|1,0,1]=3 36 B7R0.1 NCCCCCCBr D83295 [0,1,0,0,0,0|1,0,0]=2 37 B7R0.1 NCCCCCCS F31196 [0,1,0,0,0,0|0,1,0]=2 38 B7R0.1 NCCCNCCS W12623 [0,1,0,0,0,0|1,1,0]=3 39 B7R0.1 NCCCOCCO W11222 [0,1,0,0,0,0|1,0,0]=2 40 B7R0.3 CCC(=O)OCCO A11774 [0,1,0,0,0,0|1,0,1]=3 41 B7R0.3 COC(=O)CCCI F19766 [0,1,0,0,0,0|2,0,1]=4 42 B7R0.4 CC(=O)CCCCBr O11558 [0,1,0,0,0,0|1,0,1]=3 43 B7R0.4 CC(=O)OCCCBr C75766 [0,1,0,0,0,0|2,0,1]=4 44 B7R0.4 CC(C)CCCCBr C74820 [0,1,0,0,0,0|1,0,0]=2 45 B7R0.4 CCCNCC(C)C AC1640 [0,1,0,0,0,0|2,0,0]=3 46 B7R0.4 CCCOCC(=O)O AC1647 [0,1,0,0,0,0|1,0,1]=3 47 B7R0.4 CCNCCC(N)=O AT24732 [0,1,0,0,0,0|1,0,2]=4 48 B7R0.4 CN(C)CCCCCl W16936 [0,1,0,0,0,0|2,0,0]=3 49 B7R0.4 CNCCCC(N)=O 21232 [0,1,0,0,0,0|1,0,2]=4 50 B7R0.4 COCCCC(=O)O 78063 [0,1,0,0,0,0|1,0,1]=3 51 B7R0.4 C[C@H](Cl)CCCCCl A12620 [0,1,0,0,0,0|1,0,0]=2 52 B7R0.4 NCCNCC(=O)O FD21628 [0,1,0,0,0,0|2,0,1]=4 53 B7R0.4 O=C([O-])COCCO A11454 [0,1,0,0,0,0|2,0,1]=4 54 B7R0.7 C=C(CCBr)CCBr W15711 [0,1,0,0,0,0|2,0,1]=4 55 B7R0.7 CCC[C@H](Br)CCBr D94373 [0,1,0,0,0,0|1,0,0]=2 56 B7R0.7 CCC[C@H](N)CCO AT20461 [0,1,0,0,0,0|0,0,0]=1 57 B7R0.7 CCC[C@H](N)CCO I11080 [0,1,0,0,0,0|0,0,0]=1 58 B7R0.7 CCC[C@H](N)CCO N12794 [0,1,0,0,0,0|0,0,0]=1 59 B7R0.7 CCNC(=O)CCCl Y14703 [0,1,0,0,0,0|2,0,1]=4 60 B7R0.7 CN(CCO)CCO A10780 [0,1,0,0,0,0|2,0,0]=3 61 B7R0.7 COC[C@@H](N)CCO AT12992 [0,1,0,0,0,0|1,0,0]=2 62 B7R1.1 BrCC1=CCCC1 37275 [0,0,0,1,0,0|1,0,2]=4 63 B7R1.1 BrC[C@H]1CCOC1 84096 [0,0,0,1,0,0|2,0,0]=3 64 B7R1.1 C=CC1CCCC1 T72385 [0,0,0,1,0,0|1,0,1]=3 65 B7R1.1 CC[C@H]1CCCN1 F16886 [0,0,0,1,0,0|1,0,0]=2 66 B7R1.1 CC[C@H]1CCNC1 P14869 [0,0,0,1,0,0|2,0,0]=3 67 B7R1.1 CN[C@H]1CCOC1 P18534 [0,0,0,1,0,0|3,0,0]=4 68 B7R1.1 CN[C@H]1CCOC1 P18535 [0,0,0,1,0,0|3,0,0]=4 69 B7R1.1 COC1=CCCC1 D93350 [0,0,0,1,0,0|2,0,1]=4 70 B7R1.1 CO[C@H]1CCNC1 26935 [0,0,0,1,0,0|3,0,0]=4 71 B7R1.1 CO[C@H]1CCNC1 P10862 [0,0,0,1,0,0|3,0,0]=4 72 B7R1.1 FC[C@H]1CCCN1 37688 [0,0,0,1,0,0|2,0,0]=3 73 B7R1.1 FC[C@H]1CCCN1 P11073 [0,0,0,1,0,0|2,0,0]=3 74 B7R1.1 FC[C@H]1CCNC1 P18731 [0,0,0,1,0,0|2,0,0]=3 75 B7R1.1 N#C[C@@H]1CCCN1 37678 [0,0,0,1,0,0|2,0,1]=4 76 B7R1.1 N#C[C@@H]1CCCN1 68253 [0,0,0,1,0,0|2,0,1]=4 77 B7R1.1 N#C[C@@H]1CCCN1 68254 [0,0,0,1,0,0|2,0,1]=4 78 B7R1.1 N#C[C@@H]1CCCO1 31513 [0,0,0,1,0,0|1,0,1]=3 79 B7R1.1 N#C[C@H]1CCNC1 81493 [0,0,0,1,0,0|2,0,1]=4 80 B7R1.1 N#C[C@H]1CCNC1 81538 [0,0,0,1,0,0|2,0,1]=4 81 B7R1.1 N#C[C@H]1CCNC1 82703 [0,0,0,1,0,0|2,0,1]=4 82 B7R1.1 N#C[C@H]1CCOC1 39230 [0,0,0,1,0,0|2,0,1]=4 83 B7R1.1 N#C[C@H]1CCOC1 P12891 [0,0,0,1,0,0|2,0,1]=4 84 B7R1.1 NCC1CCCC1 P10292 [0,0,0,1,0,0|1,0,0]=2 85 B7R1.1 NC[C@H]1CCCN1 83159 [0,0,0,1,0,0|2,0,0]=3 86 B7R1.1 NC[C@H]1CCCO1 83007 [0,0,0,1,0,0|1,0,0]=2 87 B7R1.1 NC[C@H]1CCCO1 S11127 [0,0,0,1,0,0|1,0,0]=2 88 B7R1.1 NC[C@H]1CCOC1 37316 [0,0,0,1,0,0|2,0,0]=3 89 B7R1.1 NC[C@H]1CCOC1 68891 [0,0,0,1,0,0|2,0,0]=3 90 B7R1.1 NC[C@H]1CCOC1 P12031 [0,0,0,1,0,0|2,0,0]=3 91 B7R1.1 NNC1CCCC1 BL010355 [0,0,0,1,0,0|2,0,0]=3 92 B7R1.1 NOC1CCCC1 97655 [0,0,0,1,0,0|2,0,0]=3 93 B7R1.1 OC[C@H]1CCCO1 66575 [0,0,0,1,0,0|1,0,0]=2 94 B7R1.1 OC[C@H]1CCNC1 24481 [0,0,0,1,0,0|1,0,0]=2 95 B7R1.1 OC[C@H]1CCNC1 29239 [0,0,0,1,0,0|1,0,0]=2 96 B7R1.1 OC[C@H]1CCNC1 30959 [0,0,0,1,0,0|1,0,0]=2 97 B7R1.1 OC[C@H]1CCOC1 37313 [0,0,0,1,0,0|1,0,0]=2 98 B7R1.1 OC[C@H]1CCOC1 37314 [0,0,0,1,0,0|1,0,0]=2 99 B7R1.1 [C-]#[N+]C1CCCC1 T71226 [0,0,0,1,0,0|2,0,0]=3 100 B7R1.3 C=C1CCNCC1 88914 [0,0,0,1,0,0|2,0,1]=4 101 B7R1.3 C=C1CCOCC1 84295 [0,0,0,1,0,0|2,0,1]=4 102 B7R1.3 CC1=CCNCC1 A11257 [0,0,0,1,0,0|2,0,1]=4 103 B7R1.3 C[C@H]1CCCCN1 C73894 [0,0,0,1,0,0|1,0,0]=2 104 B7R1.3 C[C@H]1CCCNC1 36405 [0,0,0,1,0,0|2,0,0]=3 105 B7R1.3 C[C@H]1CNCCO1 24564 [0,0,0,1,0,0|1,0,0]=2 106 B7R1.3 C[C@H]1CNCCO1 27729 [0,0,0,1,0,0|1,0,0]=2 107 B7R1.3 C[C@H]1CNCCO1 F13460 [0,0,0,1,0,0|1,0,0]=2 108 B7R1.3 C[C@H]1CNCCO1 P11013 [0,0,0,1,0,0|1,0,0]=2 109 B7R1.3 C[C@H]1COCCN1 72593 [0,0,0,1,0,0|2,0,0]=3 110 B7R1.3 F[C@H]1CCCNC1 37161 [0,0,0,1,0,0|2,0,0]=3 111 B7R1.3 F[C@H]1CCCNC1 37162 [0,0,0,1,0,0|2,0,0]=3 112 B7R1.3 N[C@@H]1C=CCCC1 D84435 [0,0,0,1,0,0|1,0,2]=4 113 B7R1.3 N[C@H]1CCCNC1 C72133 [0,0,0,1,0,0|2,0,0]=3 114 B7R1.3 N[C@H]1CCCOC1 F10442 [0,0,0,1,0,0|2,0,0]=3 115 B7R1.3 O=C1CCCCS1 D95162 [0,0,0,1,0,0|1,0,2]=4 116 B7R1.3 O=C1CNCCO1 RB3226 [0,0,0,1,0,0|2,0,1]=4 117 B7R1.3 O[C@@H]1C=CCNC1 S11183 [0,0,0,1,0,0|1,0,2]=4 118 B7R1.3 O[C@@H]1CNCCO1 26254 [0,0,0,1,0,0|2,0,0]=3 119 B7R1.3 O[C@H]1CCCOC1 P10754 [0,0,0,1,0,0|1,0,0]=2 120 B7R1.3 O[C@H]1CCCOC1 P10755 [0,0,0,1,0,0|1,0,0]=2 121 B7R1.3 SC1CCNCC1 39018 [0,0,0,1,0,0|1,1,0]=3 122 B7R1.3 SC1CCOCC1 AT12453 [0,0,0,1,0,0|1,1,0]=3 123 B7R1.3 S[C@H]1CCCNC1 P11853 [0,0,0,1,0,0|1,1,0]=3 124 B7R1.4 Br[C@H]1CCC[C@@H]1Br D97021 [0,0,0,1,0,0|2,0,0]=3 125 B7R1.4 CC1CNCC1C P18713 [0,0,0,1,0,0|2,0,0]=3 126 B7R1.4 C[C@@H]1CCC[C@@H]1N 72991 [0,0,0,1,0,0|1,0,0]=2 127 B7R1.4 C[C@@H]1CCC[C@@H]1O 72407 [0,0,0,1,0,0|0,0,0]=1 128 B7R1.4 C[C@@H]1CNC[C@@H]1F 73104 [0,0,0,1,0,0|2,0,0]=3 129 B7R1.4 C[C@@H]1CNC[C@@H]1N F13008 [0,0,0,1,0,0|2,0,0]=3 130 B7R1.4 C[C@@H]1CNC[C@@H]1O 72981 [0,0,0,1,0,0|1,0,0]=2 131 B7R1.4 C[C@H]1CCC[C@@H]1O 71002 [0,0,0,1,0,0|0,0,0]=1 132 B7R1.4 C[C@H]1CNC[C@@H]1O 72668 [0,0,0,1,0,0|1,0,0]=2 133 B7R1.4 C[C@H]1COC[C@@H]1N P16382 [0,0,0,1,0,0|2,0,0]=3 134 B7R1.4 C[C@H]1COC[C@@H]1O 73077 [0,0,0,1,0,0|1,0,0]=2 135 B7R1.4 F[C@H]1CNC[C@H]1F 83249 [0,0,0,1,0,0|3,0,0]=4 136 B7R1.4 NC1CCCC1N F16273 [0,0,0,1,0,0|2,0,0]=3 137 B7R1.4 NC1COCC1O O11159 [0,0,0,1,0,0|2,0,0]=3 138 B7R1.4 N[C@@H]1CCC[C@@H]1O P10925 [0,0,0,1,0,0|1,0,0]=2 139 B7R1.4 N[C@@H]1COC[C@@H]1F W12424 [0,0,0,1,0,0|3,0,0]=4 140 B7R1.4 N[C@@H]1COC[C@@H]1N P15675 [0,0,0,1,0,0|3,0,0]=4 141 B7R1.4 N[C@@H]1COC[C@@H]1O F53671 [0,0,0,1,0,0|2,0,0]=3 142 B7R1.4 N[C@@H]1COC[C@@H]1O P12686 [0,0,0,1,0,0|2,0,0]=3 143 B7R1.4 N[C@H]1CCC[C@@H]1F P17786 [0,0,0,1,0,0|2,0,0]=3 144 B7R1.4 N[C@H]1CCC[C@@H]1N F16352 [0,0,0,1,0,0|2,0,0]=3 145 B7R1.4 N[C@H]1CCC[C@@H]1O 71753 [0,0,0,1,0,0|1,0,0]=2 146 B7R1.4 N[C@H]1CCC[C@H]1N I12005 [0,0,0,1,0,0|2,0,0]=3 147 B7R1.4 N[C@H]1CNC[C@@H]1F D72106 [0,0,0,1,0,0|3,0,0]=4 148 B7R1.4 N[C@H]1COC[C@@H]1F W12730 [0,0,0,1,0,0|3,0,0]=4 149 B7R1.4 N[C@H]1COC[C@@H]1N 37783 [0,0,0,1,0,0|3,0,0]=4 150 B7R1.4 N[C@H]1COC[C@@H]1N 37786 [0,0,0,1,0,0|3,0,0]=4 151 B7R1.4 N[C@H]1COC[C@@H]1N P15676 [0,0,0,1,0,0|3,0,0]=4 152 B7R1.4 N[C@H]1COC[C@@H]1O 71841 [0,0,0,1,0,0|2,0,0]=3 153 B7R1.4 N[C@H]1COC[C@@H]1O P12486 [0,0,0,1,0,0|2,0,0]=3 154 B7R1.4 N[C@H]1COC[C@@H]1O P15828 [0,0,0,1,0,0|2,0,0]=3 155 B7R1.4 O=C1OCC[C@@H]1O F14291 [0,0,0,1,0,0|2,0,1]=4 156 B7R1.4 O[C@@H]1CNC[C@@H]1F 72988 [0,0,0,1,0,0|2,0,0]=3 157 B7R1.4 O[C@H]1CCC=C1Br D79898 [0,0,0,1,0,0|1,0,2]=4 158 B7R1.4 O[C@H]1CNC[C@@H]1F 38827 [0,0,0,1,0,0|2,0,0]=3 159 B7R1.4 O[C@H]1CNC[C@@H]1F P15834 [0,0,0,1,0,0|2,0,0]=3 160 B7R1.4 O[C@H]1CNC[C@@H]1O 39002 [0,0,0,1,0,0|2,0,0]=3 161 B7R1.4 O[C@H]1CNC[C@@H]1O P15707 [0,0,0,1,0,0|2,0,0]=3 162 B7R1.4 O[C@H]1COC[C@@H]1F 73076 [0,0,0,1,0,0|2,0,0]=3 163 B7R1.4 O[C@H]1COC[C@@H]1O 66690 [0,0,0,1,0,0|2,0,0]=3 164 B7R1.6 C=CCC1CNC1 P14594 [0,0,0,1,0,0|2,0,1]=4 165 B7R1.6 CCNC1CCC1 W19308 [0,0,0,1,0,0|2,0,0]=3 166 B7R1.6 CCNC1COC1 32797 [0,0,0,1,0,0|3,0,0]=4 167 B7R1.6 CCOC1CNC1 C16603 [0,0,0,1,0,0|3,0,0]=4 168 B7R1.6 CNCC1COC1 32854 [0,0,0,1,0,0|3,0,0]=4 169 B7R1.6 CNC[C@H]1CCO1 D96714 [0,0,0,1,0,0|1,0,0]=2 170 B7R1.6 COCC1CNC1 36064 [0,0,0,1,0,0|3,0,0]=4 171 B7R1.6 COCC1CNC1 37073 [0,0,0,1,0,0|3,0,0]=4 172 B7R1.6 COC[C@H]1CCN1 38829 [0,0,0,1,0,0|2,0,0]=3 173 B7R1.6 COC[C@H]1CCN1 P15803 [0,0,0,1,0,0|2,0,0]=3 174 B7R1.6 N#CCC1CCC1 55430 [0,0,0,1,0,0|1,0,1]=3 175 B7R1.6 N#CCC1CNC1 P14687 [0,0,0,1,0,0|2,0,1]=4 176 B7R1.6 N#CCC1COC1 D79136 [0,0,0,1,0,0|2,0,1]=4 177 B7R1.6 NCCC1CCC1 P10851 [0,0,0,1,0,0|1,0,0]=2 178 B7R1.6 NCCC1COC1 85783 [0,0,0,1,0,0|2,0,0]=3 179 B7R1.6 NNCC1CCC1 P12716 [0,0,0,1,0,0|2,0,0]=3 180 B7R1.6 O=CCC1CCC1 55432 [0,0,0,1,0,0|0,0,2]=3 181 B7R1.6 O=CCC1COC1 CS2316 [0,0,0,1,0,0|1,0,2]=4 182 B7R1.6 OCCC1CCC1 32129 [0,0,0,1,0,0|0,0,0]=1 183 B7R1.6 OCCC1CNC1 P16512 [0,0,0,1,0,0|1,0,0]=2 184 B7R1.6 OCCC1COC1 32759 [0,0,0,1,0,0|1,0,0]=2 185 B7R1.6 OCCN1CCC1 70839 [0,0,0,1,0,0|1,0,0]=2 186 B7R1.6 OCC[C@H]1CCO1 P17680 [0,0,0,1,0,0|1,0,0]=2 187 B7R1.7 BrCC#CC1CC1 32689 [0,0,0,1,0,0|1,0,2]=4 188 B7R1.7 C=CCC[C@H]1CO1 61994 [0,0,0,1,0,0|0,0,2]=3 189 B7R1.7 OCCCC1CC1 F52480 [0,0,0,1,0,0|0,0,0]=1 190 B7R1.8 CC1NCC1C#N D96740 [0,0,0,1,0,0|2,0,1]=4 191 B7R1.8 CN1CC[C@@H]1CN P15857 [0,0,0,1,0,0|2,0,0]=3 192 B7R1.8 CN1CC[C@@H]1CO 63438 [0,0,0,1,0,0|1,0,0]=2 193 B7R1.8 CN1CC[C@@H]1CO AT17142 [0,0,0,1,0,0|1,0,0]=2 194 B7R1.8 CN1CC[C@@H]1CO P18351 [0,0,0,1,0,0|1,0,0]=2 195 B7R1.8 CO[C@H]1CCC1=O P17941 [0,0,0,1,0,0|1,0,2]=4 196 B7R1.8 O=C1CC[C@@H]1CO P13853 [0,0,0,1,0,0|1,0,1]=3 197 B7R1.9 NCC1CC1CO C14991 [0,0,0,1,0,0|1,0,0]=2 198 B7R1.9 NC[C@H]1C[C@@H]1CN D79389 [0,0,0,1,0,0|2,0,0]=3 199 B7R1.9 OC[C@H]1C[C@H]1CO P16470 [0,0,0,1,0,0|1,0,0]=2 200 B7R1.24 C1CNCCOC1 80062 [0,0,0,1,0,0|1,0,0]=2 201 B4R0.2 BrCCCBr D77913 [2,0,0,0,0,0|2,0,0]=4 202 B4R0.2 CCCCN T70838 [2,0,0,0,0,0|1,0,0]=3 203 B4R0.2 CCONC AT14498 [2,0,0,0,0,0|2,0,0]=4 204 B4R0.2 COCCI A50601 [2,0,0,0,0,0|2,0,0]=4 205 B4R0.2 CSCCN D73275 [2,0,0,0,0,0|2,0,0]=4 206 B4R0.2 NCCCF 61303 [2,0,0,0,0,0|2,0,0]=4 207 B4R0.2 NCCCN T70045 [2,0,0,0,0,0|2,0,0]=4 208 B4R0.2 NCCCS A11074 [2,0,0,0,0,0|1,1,0]=4 209 B4R0.2 OCCCO D77845 [2,0,0,0,0,0|1,0,0]=3 210 B4R0.2 OCCCS D78398 [2,0,0,0,0,0|1,0,0]=3 211 B4R0.2 SCCCBr 77989 [2,0,0,0,0,0|1,1,0]=4 212 B6R0.1 C=CC[C@H](N)CO F16846 [1,1,0,0,0,0|0,0,2]=4 213 B6R0.1 CCC[C@@H](Br)CC D78429 [1,1,0,0,0,0|0,0,0]=2 214 B6R0.1 CCC[C@H](N)CO C13482 [1,1,0,0,0,0|0,0,0]=2 215 B6R0.1 CCNC(=O)CO 79517 [1,1,0,0,0,0|1,0,1]=4 216 B6R0.1 CCO[C@@H](C)CO 91003 [1,1,0,0,0,0|1,0,0]=3 217 B6R0.1 CC[C@H](S)CCO D84734 [1,1,0,0,0,0|0,0,0]=2 218 B6R0.1 CNC(=O)CCO AC6610 [1,1,0,0,0,0|1,0,1]=4 219 B6R0.1 COC[C@@H](O)CN 94767 [1,1,0,0,0,0|2,0,0]=4 220 B6R0.1 NCC[C@H](O)CO F51073 [1,1,0,0,0,0|1,0,0]=3 221 B6R0.1 N[C@H](CO)CCO AB10026 [1,1,0,0,0,0|1,0,0]=3 222 B6R0.1 N[C@H](CO)CCO AB10027 [1,1,0,0,0,0|1,0,0]=3 223 B6R0.1 N[C@H](CS)CCS F52529 [1,1,0,0,0,0|1,1,0]=4 224 B6R0.4 C=C(C)CCCBr 71968 [1,1,0,0,0,0|1,0,1]=4 225 B6R0.4 CC(=O)CCCBr 25631 [1,1,0,0,0,0|1,0,1]=4 226 B6R0.4 CC(C)CCC=O 31143 [1,1,0,0,0,0|0,0,2]=4 227 B6R0.4 CC(C)OCCBr 33996 [1,1,0,0,0,0|2,0,0]=4 228 B6R0.4 CC(C)OCCN T71353 [1,1,0,0,0,0|2,0,0]=4 229 B6R0.4 CCOCC(=O)O D73862 [1,1,0,0,0,0|1,0,1]=4 230 B6R0.4 CCOC[C@H](C)N 75202 [1,1,0,0,0,0|1,0,0]=3 231 B6R0.4 C[C@H](Cl)CCCCl A11066 [1,1,0,0,0,0|1,0,0]=3 232 B8R0.1 C#CCCC(=O)CCO N11427 [0,2,0,0,0,0|0,0,2]=4 233 B8R0.1 CCCC(=O)OCCO D81566 [0,2,0,0,0,0|0,0,1]=3 234 B8R0.1 CCCC[C@H](C)CCO D93301 [0,2,0,0,0,0|0,0,0]=2 235 B8R0.1 CCC[C@H](C)CCCO A12859 [0,2,0,0,0,0|0,0,0]=2 236 B8R0.1 CCOC(=O)CCCO C91677 [0,2,0,0,0,0|0,0,1]=3 237 B8R0.1 COCCN(C)CCO F18234 [0,2,0,0,0,0|1,0,0]=3 238 B8R0.4 C=CCCCCCC=O N11873 [0,2,0,0,0,0|0,0,2]=4 239 B8R0.4 C=CCCCCCCI W11175 [0,2,0,0,0,0|1,0,0]=3 240 B8R0.4 COCCCCCCBr S10679 [0,2,0,0,0,0|0,0,0]=2 241 B8R0.4 COCCOCCOC D72523 [0,2,0,0,0,0|1,0,0]=3 242 B8R0.4 COCOCOCOC 75318 [0,2,0,0,0,0|2,0,0]=4 243 B8R0.4 ClCCCOCCCCl FD13137 [0,2,0,0,0,0|1,0,0]=3 244 B8R0.4 NCCCOCCCO D84663 [0,2,0,0,0,0|0,0,0]=2 245 B8R0.4 OCCCOCCCO AT19326 [0,2,0,0,0,0|0,0,0]=2 246 B8R0.6 CCCCCC(=O)CBr C73149 [0,2,0,0,0,0|1,0,0]=3 247 B8R0.6 COC(=O)COCCO D84694 [0,2,0,0,0,0|1,0,1]=4 248 B8R0.7 CN(C)CCCCCN AC2504 [0,2,0,0,0,0|1,0,0]=3 249 B8R0.7 CN(C)CCOCCO D77714 [0,2,0,0,0,0|1,0,0]=3 250 B8R0.7 COCCNCC(=O)O W16095 [0,2,0,0,0,0|1,0,1]=4 251 B8R0.7 NCCCCCC(=O)O P19609 [0,2,0,0,0,0|0,0,1]=3 252 B8R0.7 NCCCCCC(N)=O AC6029 [0,2,0,0,0,0|0,0,2]=4 253 B8R0.7 NCCCCOC(F)F 89966 [0,2,0,0,0,0|2,0,0]=4 254 B8R0.7 O=C([O-])CCCCCO Y14708 [0,2,0,0,0,0|0,0,1]=3 255 B8R0.8 CCCCC(=O)[C@H](C)N C72970 [0,2,0,0,0,0|1,0,1]=4 256 B8R0.8 CCCC[C@H](N)C(N)=O C77276 [0,2,0,0,0,0|0,0,2]=4 257 B8R0.8 CCCC[C@H](O)C(=O)O C11377 [0,2,0,0,0,0|0,0,1]=3 258 B8R0.8 C[Se]CC[C@H](N)C(=O)O F20529 [0,2,0,0,0,0|1,0,1]=4 259 B8R0.9 CC(C)CC\C(N)=N/O W10718 [0,2,0,0,0,0|1,0,1]=4 260 B8R0.9 CC(C)NC[C@H](O)CO C16156 [0,2,0,0,0,0|1,0,0]=3 261 B8R0.9 CC[C@H](Cl)CCC(=O)Cl AC1939 [0,2,0,0,0,0|0,0,2]=4 262 B8R0.9 NC[C@@H](N)CCC(=O)O AT25325 [0,2,0,0,0,0|1,0,1]=4 263 B8R0.25 CCCCC(C)(C)C=O D93253 [0,2,0,0,0,0|0,0,2]=4 264 B8R0.25 CCCCC(C)(C)CO A12319 [0,2,0,0,0,0|0,0,0]=2 265 B8R0.5 CCC[C@H](C)CC(C)=O D93522 [0,2,0,0,0,0|0,0,2]=4 266 B8R0.5 CCC[C@H](C)CC(C)C F17729 [0,2,0,0,0,0|1,0,0]=3 267 B8R0.5 CCC[C@H](N)CC(=O)O C76010 [0,2,0,0,0,0|0,0,1]=3 268 B8R0.21 CCCCCS(N)(=O)=O P18656 [0,2,0,0,0,0|1,0,1]=4 269 B8R0.21 NCCCCP(=O)(O)O C10655 [0,2,0,0,0,0|2,0,0]=4 270 B8R0.28 CC(C)CNCC(=O)O W10796 [0,2,0,0,0,0|1,0,1]=4 271 B6R1.1 C1CCNNC1 71659 [1,0,0,1,0,0|2,0,0]=4 272 B6R1.2 C[C@H]1CCNC1 69327 [1,0,0,1,0,0|1,0,0]=3 273 B6R1.2 C[C@H]1CCSC1 70016 [1,0,0,1,0,0|1,0,0]=3 274 B6R1.2 Cl[C@H]1CCNC1 W15835 [1,0,0,1,0,0|2,0,0]=4 275 B6R1.2 Cl[C@H]1CCOC1 N12419 [1,0,0,1,0,0|2,0,0]=4 276 B6R1.2 F[C@H]1CCNC1 P10396 [1,0,0,1,0,0|2,0,0]=4 277 B6R1.2 F[C@H]1CCNC1 P10397 [1,0,0,1,0,0|2,0,0]=4 278 B6R1.2 I[C@H]1CCOC1 37310 [1,0,0,1,0,0|2,0,0]=4 279 B6R1.2 I[C@H]1CCOC1 37311 [1,0,0,1,0,0|2,0,0]=4 280 B6R1.2 NN1CCCC1 F13227 [1,0,0,1,0,0|2,0,0]=4 281 B6R1.2 NN1CCCC1 S12058 [1,0,0,1,0,0|2,0,0]=4 282 B6R1.2 N[C@H]1CCSC1 70834 [1,0,0,1,0,0|2,0,0]=4 283 B6R1.2 O[C@H]1CCSC1 50208 [1,0,0,1,0,0|1,0,0]=3 284 B6R1.2 O[C@H]1CNOC1 31712 [1,0,0,1,0,0|2,0,0]=4 285 B6R1.3 BrCCC1CC1 32177 [1,0,0,1,0,0|1,0,0]=3 286 B6R1.3 BrCC[C@H]1CO1 F20905 [1,0,0,1,0,0|1,0,0]=3 287 B6R1.3 C#CCC1CC1 70830 [1,0,0,1,0,0|0,0,2]=4 288 B6R1.3 CNCC1CC1 P11100 [1,0,0,1,0,0|1,0,0]=3 289 B6R1.3 ICCC1CC1 73383 [1,0,0,1,0,0|1,0,0]=3 290 B6R1.3 NNCC1CC1 P11241 [1,0,0,1,0,0|2,0,0]=4 291 B6R1.3 NOCC1CC1 59190 [1,0,0,1,0,0|2,0,0]=4 292 B6R1.3 O=CCC1CC1 P10743 [1,0,0,1,0,0|0,0,2]=4 293 B6R1.4 CC1NCC1F P20228 [1,0,0,1,0,0|2,0,0]=4 294 B6R1.4 CC1OCC1O P16543 [1,0,0,1,0,0|1,0,0]=3 295 B6R1.4 C[C@H]1CCC1=O W18267 [1,0,0,1,0,0|0,0,2]=4 296 B6R1.4 C[C@H]1NC[C@@H]1F P20392 [1,0,0,1,0,0|2,0,0]=4 297 B6R1.4 C[C@H]1NC[C@@H]1O D79131 [1,0,0,1,0,0|1,0,0]=3 298 B6R1.4 C[C@H]1NC[C@@H]1O P18430 [1,0,0,1,0,0|1,0,0]=3 299 B6R1.4 NC1CCC1F P20418 [1,0,0,1,0,0|2,0,0]=4 300 B6R1.4 NC1CCC1O 94999 [1,0,0,1,0,0|1,0,0]=3 301 B6R1.4 N[C@@H]1CC[C@@H]1O P18786 [1,0,0,1,0,0|1,0,0]=3 302 B6R1.4 OC1CCC1O D79179 [1,0,0,1,0,0|1,0,0]=3 303 B6R1.4 O[C@H]1CC[C@@H]1O P21043 [1,0,0,1,0,0|1,0,0]=3 304 B6R1.6 BrC[C@H]1CCO1 28585 [1,0,0,1,0,0|1,0,0]=3 305 B6R1.6 BrC[C@H]1CCO1 D97141 [1,0,0,1,0,0|1,0,0]=3 306 B6R1.6 BrC[C@H]1CCO1 P21121 [1,0,0,1,0,0|1,0,0]=3 307 B6R1.6 C#C[C@@H]1CCO1 P18800 [1,0,0,1,0,0|0,0,2]=4 308 B6R1.6 CNC1CCC1 20929 [1,0,0,1,0,0|1,0,0]=3 309 B6R1.6 CSC1CNC1 37205 [1,0,0,1,0,0|2,0,0]=4 310 B6R1.6 FCC1CNC1 86811 [1,0,0,1,0,0|2,0,0]=4 311 B6R1.6 NCC1CNC1 26899 [1,0,0,1,0,0|2,0,0]=4 312 B6R1.6 NC[C@H]1CCN1 20184 [1,0,0,1,0,0|2,0,0]=4 313 B6R1.6 NC[C@H]1CCO1 P20441 [1,0,0,1,0,0|1,0,0]=3 314 B6R1.6 NNC1CCC1 AB1362 [1,0,0,1,0,0|2,0,0]=4 315 B6R1.6 NNC1CCC1 BL010353 [1,0,0,1,0,0|2,0,0]=4 316 B6R1.6 OCC1CNC1 65945 [1,0,0,1,0,0|1,0,0]=3 317 B6R1.6 OC[C@H]1CCN1 36269 [1,0,0,1,0,0|1,0,0]=3 318 B6R1.6 OC[C@H]1CCN1 38353 [1,0,0,1,0,0|1,0,0]=3 319 B6R1.6 OC[C@H]1CCN1 38354 [1,0,0,1,0,0|1,0,0]=3 320 B6R1.6 OC[C@H]1CCO1 26540 [1,0,0,1,0,0|1,0,0]=3 321 B6R1.6 OC[C@H]1CCO1 AT10832 [1,0,0,1,0,0|1,0,0]=3 322 B6R1.6 OC[C@H]1CCO1 P19736 [1,0,0,1,0,0|1,0,0]=3 323 B6R1.8 C[C@H]1C[C@@H]1CO 72702 [1,0,0,1,0,0|0,0,0]=2 324 B6R1.8 OC[C@H]1C[C@@H]1F CS3459 [1,0,0,1,0,0|1,0,0]=3 325 B8R1.2 BrCC1=CCCCC1 37274 [0,1,0,1,0,0|1,0,1]=4 326 B8R1.2 BrC[C@H]1CCCNC1 AC3913 [0,1,0,1,0,0|1,0,0]=3 327 B8R1.2 BrC[C@H]1CCCOC1 38662 [0,1,0,1,0,0|1,0,0]=3 328 B8R1.2 C#CC1CCNCC1 P12507 [0,1,0,1,0,0|1,0,1]=4 329 B8R1.2 C#CC1CCOCC1 37550 [0,1,0,1,0,0|1,0,1]=4 330 B8R1.2 C#C[C@@H]1CCCCN1 CS2055 [0,1,0,1,0,0|1,0,1]=4 331 B8R1.2 C#C[C@H]1CCCNC1 P11150 [0,1,0,1,0,0|1,0,1]=4 332 B8R1.2 C#C[C@H]1CCCNC1 P11485 [0,1,0,1,0,0|1,0,1]=4 333 B8R1.2 CCC1CCNCC1 W10090 [0,1,0,1,0,0|1,0,0]=3 334 B8R1.2 CC[C@H]1CCCCN1 Y10457 [0,1,0,1,0,0|1,0,0]=3 335 B8R1.2 CC[C@H]1CNCCN1 28366 [0,1,0,1,0,0|1,0,0]=3 336 B8R1.2 CC[C@H]1CNCCN1 I11833 [0,1,0,1,0,0|1,0,0]=3 337 B8R1.2 CC[C@H]1COCCN1 F17630 [0,1,0,1,0,0|1,0,0]=3 338 B8R1.2 CC[C@H]1COCCN1 FD6008 [0,1,0,1,0,0|1,0,0]=3 339 B8R1.2 CNC1CCNCC1 Y10435 [0,1,0,1,0,0|2,0,0]=4 340 B8R1.2 CNC1CCSCC1 D93432 [0,1,0,1,0,0|2,0,0]=4 341 B8R1.2 COC1=NCCCC1 D87703 [0,1,0,1,0,0|1,0,1]=4 342 B8R1.2 ClCC1CCNCC1 P17439 [0,1,0,1,0,0|1,0,0]=3 343 B8R1.2 ClCC1CCOCC1 C77585 [0,1,0,1,0,0|1,0,0]=3 344 B8R1.2 ClC[C@H]1CCCCN1 87776 [0,1,0,1,0,0|1,0,0]=3 345 B8R1.2 FCC1CCNCC1 F10330 [0,1,0,1,0,0|1,0,0]=3 346 B8R1.2 FC[C@H]1CCCNC1 24250 [0,1,0,1,0,0|1,0,0]=3 347 B8R1.2 ICC1CCCCC1 AC1131 [0,1,0,1,0,0|1,0,0]=3 348 B8R1.2 IC[C@H]1CCCCO1 P19885 [0,1,0,1,0,0|0,0,0]=2 349 B8R1.2 IC[C@H]1CCCOC1 P20725 [0,1,0,1,0,0|1,0,0]=3 350 B8R1.2 N#CC1CCSCC1 29706 [0,1,0,1,0,0|1,0,1]=4 351 B8R1.2 N#CN1CCCCC1 A12086 [0,1,0,1,0,0|1,0,1]=4 352 B8R1.2 N#C[C@@H]1CCCCN1 CS1001 [0,1,0,1,0,0|1,0,1]=4 353 B8R1.2 N#C[C@@H]1CCCCN1 P16178 [0,1,0,1,0,0|1,0,1]=4 354 B8R1.2 N#C[C@@H]1CCCCN1 P17459 [0,1,0,1,0,0|1,0,1]=4 355 B8R1.2 N#C[C@@H]1CCCCN1 P17460 [0,1,0,1,0,0|1,0,1]=4 356 B8R1.2 N#C[C@@H]1CCCCO1 W16123 [0,1,0,1,0,0|0,0,1]=3 357 B8R1.2 N#C[C@@H]1CNCCO1 90459 [0,1,0,1,0,0|1,0,1]=4 358 B8R1.2 N#C[C@@H]1CNCCO1 F18970 [0,1,0,1,0,0|1,0,1]=4 359 B8R1.2 N#C[C@@H]1CNCCO1 F18991 [0,1,0,1,0,0|1,0,1]=4 360 B8R1.2 N#C[C@H]1CCCNC1 81492 [0,1,0,1,0,0|1,0,1]=4 361 B8R1.2 N#C[C@H]1CCCNC1 81537 [0,1,0,1,0,0|1,0,1]=4 362 B8R1.2 N#C[C@H]1CCCNC1 P11046 [0,1,0,1,0,0|1,0,1]=4 363 B8R1.2 N#C[C@H]1CCCNC1 P18961 [0,1,0,1,0,0|1,0,1]=4 364 B8R1.2 NCC1CCSCC1 P11855 [0,1,0,1,0,0|1,0,0]=3 365 B8R1.2 NCC1CCSCC1 P17457 [0,1,0,1,0,0|1,0,0]=3 366 B8R1.2 NC[C@H]1CCCOC1 SC1491 [0,1,0,1,0,0|1,0,0]=3 367 B8R1.2 NC[C@H]1COCCO1 39092 [0,1,0,1,0,0|1,0,0]=3 368 B8R1.2 NC[C@H]1COCCO1 39093 [0,1,0,1,0,0|1,0,0]=3 369 B8R1.2 NNC1CCNCC1 BL010349 [0,1,0,1,0,0|2,0,0]=4 370 B8R1.2 NNC1CCOCC1 F51905 [0,1,0,1,0,0|2,0,0]=4 371 B8R1.2 NNC1CCSCC1 BL010348 [0,1,0,1,0,0|2,0,0]=4 372 B8R1.2 NN[C@H]1CCCOC1 P17922 [0,1,0,1,0,0|2,0,0]=4 373 B8R1.2 O=CN1CCCCC1 D77795 [0,1,0,1,0,0|0,0,2]=4 374 B8R1.2 O=C[C@@H]1CCCCN1 62054 [0,1,0,1,0,0|0,0,2]=4 375 B8R1.2 O=C[C@@H]1CCCCO1 79885 [0,1,0,1,0,0|0,0,1]=3 376 B8R1.2 O=C[C@@H]1COCCO1 D78647 [0,1,0,1,0,0|1,0,1]=4 377 B8R1.2 O=C[C@H]1CCCOC1 79874 [0,1,0,1,0,0|0,0,2]=4 378 B8R1.2 OC[C@H]1CCCNC1 36372 [0,1,0,1,0,0|0,0,0]=2 379 B8R1.2 OC[C@H]1CCCNC1 F14592 [0,1,0,1,0,0|0,0,0]=2 380 B8R1.2 OC[C@H]1CCCNC1 H10949 [0,1,0,1,0,0|0,0,0]=2 381 B8R1.2 OC[C@H]1CCCOC1 38674 [0,1,0,1,0,0|0,0,0]=2 382 B8R1.2 OC[C@H]1CNCCN1 C14871 [0,1,0,1,0,0|1,0,0]=3 383 B8R1.2 OC[C@H]1CNCCN1 I11571 [0,1,0,1,0,0|1,0,0]=3 384 B8R1.2 OC[C@H]1CNCCO1 25692 [0,1,0,1,0,0|1,0,0]=3 385 B8R1.2 OC[C@H]1CNCCO1 SC3851 [0,1,0,1,0,0|1,0,0]=3 386 B8R1.2 OC[C@H]1COCCN1 25689 [0,1,0,1,0,0|1,0,0]=3 387 B8R1.2 OC[C@H]1COCCN1 26203 [0,1,0,1,0,0|1,0,0]=3 388 B8R1.2 OC[C@H]1COCCN1 P15853 [0,1,0,1,0,0|1,0,0]=3 389 B8R1.2 OC[C@H]1COCCO1 Y10090 [0,1,0,1,0,0|1,0,0]=3 390 B8R1.2 OC[C@H]1COCCO1 Y10091 [0,1,0,1,0,0|1,0,0]=3 391 B8R1.2 [C-]#[N+]C1CCOCC1 AC9405 [0,1,0,1,0,0|2,0,0]=4 392 B8R1.5 C=C1CCCC[C@@H]1O D94315 [0,1,0,1,0,0|0,0,1]=3 393 B8R1.5 CC1CCNCC1O 38882 [0,1,0,1,0,0|0,0,0]=2 394 B8R1.5 CC1CNCCC1O 20765 [0,1,0,1,0,0|0,0,0]=2 395 B8R1.5 CC1CNCCC1O 33365 [0,1,0,1,0,0|0,0,0]=2 396 B8R1.5 CC1COCCC1N 33469 [0,1,0,1,0,0|1,0,0]=3 397 B8R1.5 CC1NCCOC1C F12405 [0,1,0,1,0,0|1,0,0]=3 398 B8R1.5 C[C@@H]1CCCC[C@@H]1N Y10408 [0,1,0,1,0,0|1,0,0]=3 399 B8R1.5 C[C@@H]1CCCC[C@@H]1N Y10409 [0,1,0,1,0,0|1,0,0]=3 400 B8R1.5 C[C@@H]1COCC[C@@H]1N P14106 [0,1,0,1,0,0|1,0,0]=3 401 B8R1.5 C[C@@H]1OCCNC1=O AC4099 [0,1,0,1,0,0|1,0,1]=4 402 B8R1.5 C[C@H]1CCCCC1=O D77719 [0,1,0,1,0,0|0,0,1]=3 403 B8R1.5 C[C@H]1CCCN[C@H]1C P18680 [0,1,0,1,0,0|1,0,0]=3 404 B8R1.5 C[C@H]1CCCOC1=O AB4082 [0,1,0,1,0,0|0,0,2]=4 405 B8R1.5 C[C@H]1CCNC[C@@H]1O 38883 [0,1,0,1,0,0|0,0,0]=2 406 B8R1.5 C[C@H]1CNCCN1C 37822 [0,1,0,1,0,0|2,0,0]=4 407 B8R1.5 C[C@H]1CNCCN1C P11245 [0,1,0,1,0,0|2,0,0]=4 408 B8R1.5 C[C@H]1CNCCN1C Y10614 [0,1,0,1,0,0|2,0,0]=4 409 B8R1.5 C[C@H]1CNCC[C@@H]1O P15603 [0,1,0,1,0,0|0,0,0]=2 410 B8R1.5 C[C@H]1COCCC1=O 27832 [0,1,0,1,0,0|0,0,2]=4 411 B8R1.5 C[C@H]1COCC[C@@H]1N P15602 [0,1,0,1,0,0|1,0,0]=3 412 B8R1.5 C[C@H]1CSCCC1=O 70869 [0,1,0,1,0,0|0,0,2]=4 413 B8R1.5 NC1CCOCC1O P16839 [0,1,0,1,0,0|1,0,0]=3 414 B8R1.5 N[C@@H]1CCOC[C@@H]1F P14573 [0,1,0,1,0,0|2,0,0]=4 415 B8R1.5 N[C@@H]1CCOC[C@@H]1O P14531 [0,1,0,1,0,0|1,0,0]=3 416 B8R1.5 N[C@@H]1CCOC[C@@H]1O P19745 [0,1,0,1,0,0|1,0,0]=3 417 B8R1.5 N[C@@H]1COCC[C@@H]1O P16186 [0,1,0,1,0,0|1,0,0]=3 418 B8R1.5 N[C@H]1CCCCC1=O C16242 [0,1,0,1,0,0|0,0,2]=4 419 B8R1.5 N[C@H]1CCCC[C@@H]1F 72976 [0,1,0,1,0,0|1,0,0]=3 420 B8R1.5 N[C@H]1CCCC[C@@H]1F D79011 [0,1,0,1,0,0|1,0,0]=3 421 B8R1.5 N[C@H]1CCCC[C@@H]1F P18297 [0,1,0,1,0,0|1,0,0]=3 422 B8R1.5 N[C@H]1CCCC[C@@H]1N 47900 [0,1,0,1,0,0|1,0,0]=3 423 B8R1.5 N[C@H]1CCCC[C@H]1N A11421 [0,1,0,1,0,0|1,0,0]=3 424 B8R1.5 N[C@H]1CCOC[C@@H]1F P14548 [0,1,0,1,0,0|2,0,0]=4 425 B8R1.5 N[C@H]1CCOC[C@@H]1F P14593 [0,1,0,1,0,0|2,0,0]=4 426 B8R1.5 N[C@H]1CCOC[C@@H]1O 38664 [0,1,0,1,0,0|1,0,0]=3 427 B8R1.5 N[C@H]1CCOC[C@@H]1O 39432 [0,1,0,1,0,0|1,0,0]=3 428 B8R1.5 N[C@H]1CCOC[C@@H]1O 39433 [0,1,0,1,0,0|1,0,0]=3 429 B8R1.5 N[C@H]1COCC[C@@H]1F P21120 [0,1,0,1,0,0|2,0,0]=4 430 B8R1.5 N[C@H]1COCC[C@@H]1O P14664 [0,1,0,1,0,0|1,0,0]=3 431 B8R1.5 O=C1NCCC[C@@H]1O 27231 [0,1,0,1,0,0|1,0,1]=4 432 B8R1.5 O=C1OCCC[C@@H]1O 27422 [0,1,0,1,0,0|1,0,1]=4 433 B8R1.5 OC1CCOCC1F P14713 [0,1,0,1,0,0|1,0,0]=3 434 B8R1.5 O[C@@H]1CCNC[C@@H]1F 37699 [0,1,0,1,0,0|1,0,0]=3 435 B8R1.5 O[C@@H]1CCNC[C@@H]1F 39257 [0,1,0,1,0,0|1,0,0]=3 436 B8R1.5 O[C@@H]1CCNC[C@@H]1F P15698 [0,1,0,1,0,0|1,0,0]=3 437 B8R1.5 O[C@H]1CCCC[C@@H]1O C14127 [0,1,0,1,0,0|0,0,0]=2 438 B8R1.5 O[C@H]1CCNC[C@@H]1F 37698 [0,1,0,1,0,0|1,0,0]=3 439 B8R1.5 O[C@H]1CCNC[C@@H]1F P13776 [0,1,0,1,0,0|1,0,0]=3 440 B8R1.5 O[C@H]1CCNC[C@@H]1O P10847 [0,1,0,1,0,0|1,0,0]=3 441 B8R1.5 O[C@H]1CCNC[C@@H]1O P17759 [0,1,0,1,0,0|1,0,0]=3 442 B8R1.5 O[C@H]1CNCC[C@@H]1F P14517 [0,1,0,1,0,0|1,0,0]=3 443 B8R1.5 O[C@H]1CNCC[C@H]1O P15637 [0,1,0,1,0,0|1,0,0]=3 444 B8R1.5 O[C@H]1CSSC[C@@H]1O D82089 [0,1,0,1,0,0|2,0,0]=4 445 B8R1.8 BrCCC1CCCC1 C78009 [0,1,0,1,0,0|1,0,0]=3 446 B8R1.8 C#CCN1CCCC1 98376 [0,1,0,1,0,0|1,0,1]=4 447 B8R1.8 C#CCN1CCCC1 W15840 [0,1,0,1,0,0|1,0,1]=4 448 B8R1.8 C=CC[C@H]1CCCN1 N16954 [0,1,0,1,0,0|1,0,1]=4 449 B8R1.8 CCN[C@H]1CCNC1 T72394 [0,1,0,1,0,0|2,0,0]=4 450 B8R1.8 CCN[C@H]1CCOC1 F14260 [0,1,0,1,0,0|1,0,0]=3 451 B8R1.8 CCO[C@H]1CCNC1 P10149 [0,1,0,1,0,0|2,0,0]=4 452 B8R1.8 CNC[C@H]1CCCN1 P18036 [0,1,0,1,0,0|1,0,0]=3 453 B8R1.8 COC[C@H]1CCCN1 11152 [0,1,0,1,0,0|1,0,0]=3 454 B8R1.8 COC[C@H]1CCCN1 11153 [0,1,0,1,0,0|1,0,0]=3 455 B8R1.8 COC[C@H]1CCCN1 71289 [0,1,0,1,0,0|1,0,0]=3 456 B8R1.8 COC[C@H]1CCNC1 72010 [0,1,0,1,0,0|1,0,0]=3 457 B8R1.8 COC[C@H]1CCNC1 P10622 [0,1,0,1,0,0|1,0,0]=3 458 B8R1.8 COC[C@H]1CCNC1 P12588 [0,1,0,1,0,0|1,0,0]=3 459 B8R1.8 COC[C@H]1CCNC1 P15249 [0,1,0,1,0,0|1,0,0]=3 460 B8R1.8 COC[C@H]1CCNC1 P15255 [0,1,0,1,0,0|1,0,0]=3 461 B8R1.8 ClCCC1CCCC1 AC1057 [0,1,0,1,0,0|1,0,0]=3 462 B8R1.8 NCCC1OCCO1 T71082 [0,1,0,1,0,0|1,0,0]=3 463 B8R1.8 NNCC1CCCC1 P11240 [0,1,0,1,0,0|1,0,0]=3 464 B8R1.8 O=CCC1CCCC1 F11683 [0,1,0,1,0,0|0,0,1]=3 465 B8R1.8 OCCC1OCCO1 W16263 [0,1,0,1,0,0|1,0,0]=3 466 B8R1.8 OCC[C@H]1CCCN1 50275 [0,1,0,1,0,0|0,0,0]=2 467 B8R1.8 OCC[C@H]1CCCN1 62964 [0,1,0,1,0,0|0,0,0]=2 468 B8R1.10 CCOCC1CNC1 D84845 [0,1,0,1,0,0|2,0,0]=4 469 B8R1.10 OCCCC1COC1 89590 [0,1,0,1,0,0|0,0,0]=2 470 B8R1.10 OCCCN1CCC1 70850 [0,1,0,1,0,0|0,0,0]=2 471 B8R1.11 C#CC1CCCC1O 30575 [0,1,0,1,0,0|0,0,1]=3 472 B8R1.11 CN1CCC[C@@H]1CBr N13118 [0,1,0,1,0,0|1,0,0]=3 473 B8R1.11 CN1CCC[C@@H]1CCl D83790 [0,1,0,1,0,0|1,0,0]=3 474 B8R1.11 CN1CCC[C@@H]1CN 39178 [0,1,0,1,0,0|1,0,0]=3 475 B8R1.11 CN[C@@H]1CCC[C@@H]1O D96687 [0,1,0,1,0,0|0,0,0]=2 476 B8R1.11 CN[C@@H]1CCC[C@@H]1O D97032 [0,1,0,1,0,0|0,0,0]=2 477 B8R1.11 CN[C@H]1CCC[C@@H]1O D97028 [0,1,0,1,0,0|0,0,0]=2 478 B8R1.11 CO[C@H]1CNC[C@@H]1F 38828 [0,1,0,1,0,0|2,0,0]=4 479 B8R1.11 CO[C@H]1CNC[C@@H]1O 38826 [0,1,0,1,0,0|1,0,0]=3 480 B8R1.11 CO[C@H]1CNC[C@@H]1O P14110 [0,1,0,1,0,0|1,0,0]=3 481 B8R1.11 CO[C@H]1CNC[C@H]1O P17936 [0,1,0,1,0,0|1,0,0]=3 482 B8R1.11 C[C@H]1CNC[C@@H]1CO C77269 [0,1,0,1,0,0|0,0,0]=2 483 B8R1.11 NCC1CCCC1N F20645 [0,1,0,1,0,0|1,0,0]=3 484 B8R1.11 NC[C@@H]1COC[C@@H]1O P14613 [0,1,0,1,0,0|1,0,0]=3 485 B8R1.11 NC[C@H]1CCCC1=O 33703 [0,1,0,1,0,0|0,0,2]=4 486 B8R1.11 NC[C@H]1COC[C@@H]1O P14625 [0,1,0,1,0,0|1,0,0]=3 487 B8R1.11 O=C1CCC[C@@H]1CO C73905 [0,1,0,1,0,0|0,0,1]=3 488 B8R1.11 O=C1NCC[C@@H]1CO P12214 [0,1,0,1,0,0|1,0,1]=4 489 B8R1.11 OCC1CNCC1O 73097 [0,1,0,1,0,0|1,0,0]=3 490 B8R1.12 OC[C@H]1CC[C@H]1CO W19717 [0,1,0,1,0,0|0,0,0]=2 491 B8R1.22 BrC1CCCCCC1 F53566 [0,1,0,1,0,0|1,0,0]=3 492 B8R1.22 CC1CNCCNC1 70848 [0,1,0,1,0,0|2,0,0]=4 493 B8R1.22 C[C@H]1CCCCCN1 D79537 [0,1,0,1,0,0|1,0,0]=3 494 B8R1.22 C[C@H]1CCCCCN1 D79538 [0,1,0,1,0,0|1,0,0]=3 495 B8R1.22 C[C@H]1CCCCCN1 W10101 [0,1,0,1,0,0|1,0,0]=3 496 B8R1.22 C[C@H]1CCCCNC1 72971 [0,1,0,1,0,0|1,0,0]=3 497 B8R1.22 C[C@H]1CCNCCN1 70847 [0,1,0,1,0,0|1,0,0]=3 498 B8R1.22 C[C@H]1CNCCCO1 72856 [0,1,0,1,0,0|0,0,0]=2 499 B8R1.22 C[C@H]1CNCCOC1 73160 [0,1,0,1,0,0|1,0,0]=3 500 B8R1.22 NC1=NCCCCC1 D85903 [0,1,0,1,0,0|1,0,1]=4 501 B8R1.22 N[C@H]1CCCNCC1 36658 [0,1,0,1,0,0|1,0,0]=3 502 B8R1.22 N[C@H]1CNCCOC1 P20272 [0,1,0,1,0,0|1,0,0]=3 503 B8R1.22 O=C1CCCCCN1 D94502 [0,1,0,1,0,0|0,0,2]=4 504 B8R1.22 O=C1CCCCNC1 50109 [0,1,0,1,0,0|0,0,2]=4 505 B8R1.22 O=C1CCCOCC1 P12770 [0,1,0,1,0,0|0,0,1]=3 506 B8R1.22 O=C1CNCCOC1 P20266 [0,1,0,1,0,0|1,0,1]=4 507 B8R1.22 O=C1COCCCN1 71169 [0,1,0,1,0,0|1,0,1]=4 508 B8R1.22 O=C1OCCCCO1 D93115 [0,1,0,1,0,0|1,0,1]=4 509 B8R1.22 OC1CNCCNC1 77717 [0,1,0,1,0,0|1,0,0]=3 510 B8R1.36 NCCNCC1CC1 P18278 [0,1,0,1,0,0|1,0,0]=3 511 B8R1.36 OCCCC[C@H]1CO1 F52608 [0,1,0,1,0,0|0,0,0]=2 512 B8R1.36 OCCNCC1CC1 AC1354 [0,1,0,1,0,0|0,0,0]=2 513 B8R1.1 CCN1CC[C@H](N)C1 P15254 [0,1,0,1,0,0|2,0,0]=4 514 B8R1.1 CCN1CC[C@H](N)C1 P15821 [0,1,0,1,0,0|2,0,0]=4 515 B8R1.1 CN1CC[C@H](CN)C1 P13795 [0,1,0,1,0,0|2,0,0]=4 516 B8R1.1 CN1CC[C@H](CN)C1 P13796 [0,1,0,1,0,0|2,0,0]=4 517 B8R1.1 CN1CC[C@H](CO)C1 22985 [0,1,0,1,0,0|1,0,0]=3 518 B8R1.1 CN1CC[C@H](CO)C1 37309 [0,1,0,1,0,0|1,0,0]=3 519 B8R1.1 COC1CCC(N)C1 33463 [0,1,0,1,0,0|2,0,0]=4 520 B8R1.1 COC1CCC(O)C1 P19125 [0,1,0,1,0,0|1,0,0]=3 521 B8R1.1 CO[C@H]1CC[C@@H](N)C1 P19923 [0,1,0,1,0,0|2,0,0]=4 522 B8R1.1 CO[C@H]1CC[C@H](N)C1 P17830 [0,1,0,1,0,0|2,0,0]=4 523 B8R1.1 C[C@@H]1CC[C@H](CO)O1 73085 [0,1,0,1,0,0|0,0,0]=2 524 B8R1.1 N#CC1CCC(O)C1 W19383 [0,1,0,1,0,0|1,0,1]=4 525 B8R1.1 N#C[C@@H]1CC[C@H](O)C1 73072 [0,1,0,1,0,0|1,0,1]=4 526 B8R1.1 N#C[C@H]1CC[C@H](O)C1 73073 [0,1,0,1,0,0|1,0,1]=4 527 B8R1.1 NCC1CCC(F)C1 72980 [0,1,0,1,0,0|1,0,0]=3 528 B8R1.1 NCC1CCC(O)C1 72949 [0,1,0,1,0,0|1,0,0]=3 529 B8R1.1 NC[C@H]1CC[C@H](F)C1 72985 [0,1,0,1,0,0|1,0,0]=3 530 B8R1.1 N[C@@H]1CN[C@@H](CO)C1 91826 [0,1,0,1,0,0|1,0,0]=3 531 B8R1.1 O=C1CC[C@H](CI)O1 AB22632 [0,1,0,1,0,0|1,0,1]=4 532 B8R1.1 O=C1CC[C@H](CO)C1 D79584 [0,1,0,1,0,0|0,0,1]=3 533 B8R1.1 O=C1CC[C@H](CO)O1 80970 [0,1,0,1,0,0|1,0,1]=4 534 B8R1.1 O=C1C[C@H](CO)CN1 P11209 [0,1,0,1,0,0|1,0,1]=4 535 B8R1.1 OC[C@@H]1C[C@H](F)CN1 D79544 [0,1,0,1,0,0|1,0,0]=3 536 B8R1.1 OC[C@@H]1C[C@H](O)CN1 S10025 [0,1,0,1,0,0|1,0,0]=3 537 B8R1.3 CC1CCC(O)CC1 D73186 [0,1,0,1,0,0|0,0,0]=2 538 B8R1.3 C[C@H]1CC[C@H](O)CC1 A12839 [0,1,0,1,0,0|0,0,0]=2 539 B8R1.3 C[C@H]1CNC(=O)CO1 AC2156 [0,1,0,1,0,0|1,0,1]=4 540 B8R1.3 C[C@H]1CN[C@@H](C)CN1 38272 [0,1,0,1,0,0|2,0,0]=4 541 B8R1.3 C[C@H]1CN[C@@H](C)CN1 W12505 [0,1,0,1,0,0|2,0,0]=4 542 B8R1.3 C[C@H]1CO[C@@H](C)CN1 C15026 [0,1,0,1,0,0|1,0,0]=3 543 B8R1.3 Cl[C@H]1CC[C@H](Cl)CC1 T70403 [0,1,0,1,0,0|1,0,0]=3 544 B8R1.3 NC1CCC(Br)CC1 FD10595 [0,1,0,1,0,0|1,0,0]=3 545 B8R1.3 N[C@H]1CC[C@@H](F)CC1 72603 [0,1,0,1,0,0|1,0,0]=3 546 B8R1.3 N[C@H]1CC[C@@H](N)CC1 T70349 [0,1,0,1,0,0|1,0,0]=3 547 B8R1.3 O=C1CCC(F)CC1 23163 [0,1,0,1,0,0|0,0,2]=4 548 B8R1.3 O=C1CC[C@H](O)CN1 62219 [0,1,0,1,0,0|1,0,1]=4 549 B8R1.3 O=C1CC[C@H](O)CO1 F13840 [0,1,0,1,0,0|1,0,1]=4 550 B8R1.3 OC1CCC(F)CC1 P13200 [0,1,0,1,0,0|0,0,0]=2 551 B8R1.38 CC[C@H](O)C1COC1 P20426 [0,1,0,1,0,0|2,0,0]=4 552 B8R1.41 CC1(CCCO)N=N1 F18366 [0,1,0,1,0,0|2,0,0]=4 553 B8R1.47 CCN1CC(CN)C1 P13012 [0,1,0,1,0,0|2,0,0]=4 554 B8R1.47 COC1CC(CN)C1 P19107 [0,1,0,1,0,0|2,0,0]=4 555 B8R1.47 COC1CC(CO)C1 P20964 [0,1,0,1,0,0|1,0,0]=3 556 B8R1.47 CO[C@H]1C[C@@H](CN)C1 P17262 [0,1,0,1,0,0|2,0,0]=4 557 B8R1.47 CO[C@H]1C[C@H](CN)C1 P17705 [0,1,0,1,0,0|2,0,0]=4 558 B8R1.47 N#CC1CC(CO)C1 D95192 [0,1,0,1,0,0|1,0,1]=4 559 B8R1.47 NCC1CC(CO)C1 P14791 [0,1,0,1,0,0|1,0,0]=3 560 B8R1.47 OCC1CC(CO)C1 P19528 [0,1,0,1,0,0|1,0,0]=3 561 B8R1.47 OC[C@@H]1C[C@H](CO)N1 P20757 [0,1,0,1,0,0|1,0,0]=3 562 B8R1.50 OC1OC[C@@H](O)[C@@H]1O T73097 [0,1,0,1,0,0|2,0,0]=4 563 B8R1.52 CC1(C=O)CCCC1 90941 [0,1,0,1,0,0|0,0,2]=4 564 B8R1.52 CC1(CN)CCCC1 72592 [0,1,0,1,0,0|1,0,0]=3 565 B8R1.52 CC1(CO)CCCC1 90940 [0,1,0,1,0,0|0,0,0]=2 566 B8R1.52 C[C@]1(CN)CCCO1 P18524 [0,1,0,1,0,0|1,0,0]=3 567 B8R1.52 C[C@]1(CN)CCNC1 38021 [0,1,0,1,0,0|2,0,0]=4 568 B8R1.52 C[C@]1(CN)CCOC1 38929 [0,1,0,1,0,0|2,0,0]=4 569 B8R1.52 C[C@]1(CO)CCCN1 38943 [0,1,0,1,0,0|1,0,0]=3 570 B8R1.52 C[C@]1(CO)CCNC1 73010 [0,1,0,1,0,0|1,0,0]=3 571 B8R1.52 C[C@]1(CO)CCOC1 P13013 [0,1,0,1,0,0|1,0,0]=3 572 B8R1.52 NCC1(O)CCCC1 37961 [0,1,0,1,0,0|1,0,0]=3 573 B8R1.52 N[C@@]1(CO)CCOC1 P12315 [0,1,0,1,0,0|1,0,0]=3 574 B8R1.52 OC[C@]1(F)CCNC1 73170 [0,1,0,1,0,0|1,0,0]=3 575 B8R1.52 OC[C@]1(O)CCNC1 P16014 [0,1,0,1,0,0|1,0,0]=3 576 B8R1.52 O[C@@]1(CF)CCNC1 37759 [0,1,0,1,0,0|2,0,0]=4 577 B8R1.4 CC1CC(N)CCO1 D78849 [0,1,0,1,0,0|0,0,0]=2 578 B8R1.4 CC1CC(N)CCO1 P16002 [0,1,0,1,0,0|0,0,0]=2 579 B8R1.4 CC1CC(O)CCN1 33466 [0,1,0,1,0,0|1,0,0]=3 580 B8R1.4 CC1CC(O)CCN1 P17258 [0,1,0,1,0,0|1,0,0]=3 581 B8R1.4 CC1CNCC(C)O1 F18860 [0,1,0,1,0,0|1,0,0]=3 582 B8R1.4 CC1CNCC(O)C1 AC5056 [0,1,0,1,0,0|1,0,0]=3 583 B8R1.4 CC1COCC(C)N1 P10582 [0,1,0,1,0,0|2,0,0]=4 584 B8R1.4 CN1CCC[C@H](N)C1 37174 [0,1,0,1,0,0|2,0,0]=4 585 B8R1.4 CN1CCC[C@H](N)C1 37175 [0,1,0,1,0,0|2,0,0]=4 586 B8R1.4 CN1CCC[C@H](N)C1 F13528 [0,1,0,1,0,0|2,0,0]=4 587 B8R1.4 CN1CCC[C@H](N)C1 P12011 [0,1,0,1,0,0|2,0,0]=4 588 B8R1.4 C[C@@H]1CCC[C@H](N)C1 D84824 [0,1,0,1,0,0|1,0,0]=3 589 B8R1.4 C[C@@H]1CNC[C@H](C)C1 F12546 [0,1,0,1,0,0|2,0,0]=4 590 B8R1.4 C[C@H]1CC(=O)CCN1 37834 [0,1,0,1,0,0|1,0,1]=4 591 B8R1.4 C[C@H]1CC(=O)CCN1 37835 [0,1,0,1,0,0|1,0,1]=4 592 B8R1.4 C[C@H]1CC(=O)CCN1 37846 [0,1,0,1,0,0|1,0,1]=4 593 B8R1.4 C[C@H]1CC(=O)CCO1 P11761 [0,1,0,1,0,0|0,0,1]=3 594 B8R1.4 C[C@H]1CCOC(=O)O1 W17381 [0,1,0,1,0,0|1,0,1]=4 595 B8R1.4 C[C@H]1CN(C)CCN1 32818 [0,1,0,1,0,0|2,0,0]=4 596 B8R1.4 C[C@H]1CN(C)CCN1 F12507 [0,1,0,1,0,0|2,0,0]=4 597 B8R1.4 C[C@H]1CN(C)CCN1 F12510 [0,1,0,1,0,0|2,0,0]=4 598 B8R1.4 C[C@H]1CN(C)CCN1 P15101 [0,1,0,1,0,0|2,0,0]=4 599 B8R1.4 C[C@H]1CN(C)CCN1 P18658 [0,1,0,1,0,0|2,0,0]=4 600 B8R1.4 C[C@H]1CNC[C@H](C)N1 39071 [0,1,0,1,0,0|2,0,0]=4 601 B8R1.4 C[C@H]1CNC[C@H](C)N1 98320 [0,1,0,1,0,0|2,0,0]=4 602 B8R1.4 C[C@H]1CNC[C@H](C)O1 38409 [0,1,0,1,0,0|1,0,0]=3 603 B8R1.4 C[C@H]1CNC[C@H](C)O1 70211 [0,1,0,1,0,0|1,0,0]=3 604 B8R1.4 C[C@H]1COC[C@@H](C)N1 38385 [0,1,0,1,0,0|2,0,0]=4 605 B8R1.4 C[C@H]1COC[C@H](C)N1 77576 [0,1,0,1,0,0|2,0,0]=4 606 B8R1.4 C[C@H]1COC[C@H](C)N1 S10555 [0,1,0,1,0,0|2,0,0]=4 607 B8R1.4 C[C@H]1COC[C@H](C)N1 S12093 [0,1,0,1,0,0|2,0,0]=4 608 B8R1.4 NC1COCC(O)C1 91463 [0,1,0,1,0,0|1,0,0]=3 609 B8R1.4 N[C@@H]1CCC[C@H](O)C1 AT10768 [0,1,0,1,0,0|0,0,0]=2 610 B8R1.4 N[C@@H]1CCC[C@H](O)C1 C14447 [0,1,0,1,0,0|0,0,0]=2 611 B8R1.4 N[C@@H]1CCC[C@H](O)C1 F11498 [0,1,0,1,0,0|0,0,0]=2 612 B8R1.4 N[C@H]1CCCC(=O)C1 20374 [0,1,0,1,0,0|0,0,2]=4 613 B8R1.4 N[C@H]1CCC[C@@H](N)C1 P15640 [0,1,0,1,0,0|1,0,0]=3 614 B8R1.4 N[C@H]1CCC[C@H](F)C1 72992 [0,1,0,1,0,0|1,0,0]=3 615 B8R1.4 N[C@H]1CCC[C@H](N)C1 T70693 [0,1,0,1,0,0|1,0,0]=3 616 B8R1.4 N[C@H]1CCC[C@H](O)C1 P15600 [0,1,0,1,0,0|0,0,0]=2 617 B8R1.4 N[C@H]1CCC[C@H](O)C1 P17839 [0,1,0,1,0,0|0,0,0]=2 618 B8R1.4 O=C1C[C@@H](O)CCN1 68727 [0,1,0,1,0,0|1,0,1]=4 619 B8R1.4 O=C1C[C@@H](O)CCN1 68728 [0,1,0,1,0,0|1,0,1]=4 620 B8R1.4 O[C@H]1CCC[C@@H](O)C1 T71365 [0,1,0,1,0,0|0,0,0]=2 621 B8R1.4 O[C@H]1CCC[C@H](O)C1 T71051 [0,1,0,1,0,0|0,0,0]=2 622 B8R1.6 CCCC1CC(=O)C1 D96728 [0,1,0,1,0,0|0,0,2]=4 623 B8R1.6 CCOC1CC(N)C1 P13631 [0,1,0,1,0,0|2,0,0]=4 624 B8R1.6 CCO[C@H]1C[C@@H](N)C1 P13633 [0,1,0,1,0,0|2,0,0]=4 625 B8R1.6 CN1CC(CCN)C1 33440 [0,1,0,1,0,0|2,0,0]=4 626 B8R1.6 CN1CC(CCO)C1 37197 [0,1,0,1,0,0|1,0,0]=3 627 B8R1.6 COCC1CC(N)C1 P11795 [0,1,0,1,0,0|2,0,0]=4 628 B8R1.6 COCC1CC(N)C1 P18332 [0,1,0,1,0,0|2,0,0]=4 629 B8R1.6 COC[C@H]1C[C@H](N)C1 D79066 [0,1,0,1,0,0|2,0,0]=4 630 B8R1.6 NCCN1CC(O)C1 AC3487 [0,1,0,1,0,0|2,0,0]=4 631 B8R1.6 OCCN1CC(F)C1 D79128 [0,1,0,1,0,0|1,0,0]=3 632 B8R1.7 CC(C)C1=NCCO1 T71548 [0,1,0,1,0,0|1,0,1]=4 633 B8R1.7 CC(C)[C@@H]1CCCN1 P15226 [0,1,0,1,0,0|1,0,0]=3 634 B8R1.7 CC(C)[C@@H]1CCCN1 P15234 [0,1,0,1,0,0|1,0,0]=3 635 B8R1.7 CC(C)[C@H]1CCNC1 P15823 [0,1,0,1,0,0|2,0,0]=4 636 B8R1.7 CC(C)[C@H]1CCNC1 P17781 [0,1,0,1,0,0|2,0,0]=4 637 B8R1.7 C[C@H](N)C1CCCC1 66137 [0,1,0,1,0,0|1,0,0]=3 638 B8R1.7 C[C@H](N)C1CCCC1 83604 [0,1,0,1,0,0|1,0,0]=3 639 B8R1.7 FC(F)[C@H]1CCNC1 P19957 [0,1,0,1,0,0|2,0,0]=4 640 B8R1.7 FC(F)[C@H]1CCNC1 P19958 [0,1,0,1,0,0|2,0,0]=4 641 B8R1.7 N=C(N)[C@@H]1CCCO1 C75904 [0,1,0,1,0,0|1,0,1]=4 642 B8R1.7 O=C(Cl)[C@@H]1CCCO1 P19141 [0,1,0,1,0,0|1,0,1]=4 643 B8R1.7 O=C(O)[C@@H]1CCCN1 D77952 [0,1,0,1,0,0|1,0,1]=4 644 B8R1.7 O=C(O)[C@H]1CCNC1 65432 [0,1,0,1,0,0|1,0,1]=4 645 B8R1.7 O=C(O)[C@H]1CCNC1 P10866 [0,1,0,1,0,0|1,0,1]=4 646 B8R1.7 O=C(O)[C@H]1CCOC1 59930 [0,1,0,1,0,0|1,0,1]=4 647 B8R1.7 O=C(O)[C@H]1CCOC1 66517 [0,1,0,1,0,0|1,0,1]=4 648 B8R1.19 CC1(C)CCC[C@@H]1O D79630 [0,1,0,1,0,0|0,0,0]=2 649 B8R1.19 CC1(C)CCC[C@@H]1O D79631 [0,1,0,1,0,0|0,0,0]=2 650 B8R1.19 C[C@@H]1COC[C@]1(C)O 73229 [0,1,0,1,0,0|1,0,0]=3 651 B8R1.19 C[C@]1(O)CCC[C@@H]1N D79341 [0,1,0,1,0,0|1,0,0]=3 652 B8R1.19 N[C@H]1CCCC1(F)F W10037 [0,1,0,1,0,0|2,0,0]=4 653 B8R1.19 O[C@H]1CNCC1(F)F P14305 [0,1,0,1,0,0|2,0,0]=4 654 B8R1.19 O[C@H]1COCC1(F)F D97022 [0,1,0,1,0,0|2,0,0]=4 655 B8R1.27 CNC[C@H]1CC1(C)C F20110 [0,1,0,1,0,0|2,0,0]=4 656 B8R1.27 OCC[C@H]1CC1(F)F P12233 [0,1,0,1,0,0|1,0,0]=3 657 B8R1.31 CC1NCC1C(=O)O P14366 [0,1,0,1,0,0|1,0,1]=4 658 B8R1.31 CN1CC[C@H]1C(=O)O D79077 [0,1,0,1,0,0|1,0,1]=4 659 B8R1.31 CN1CC[C@H]1C(=O)O F50250 [0,1,0,1,0,0|1,0,1]=4 660 B8R1.31 CN1CC[C@H]1C(=O)O F50319 [0,1,0,1,0,0|1,0,1]=4 661 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O P15238 [0,1,0,1,0,0|1,0,1]=4 662 B8R1.31 N[C@H]1CC[C@H]1C(=O)O P15463 [0,1,0,1,0,0|1,0,1]=4 663 B8R1.34 CC(=O)CC1CCC1 D79207 [0,1,0,1,0,0|0,0,2]=4 664 B8R1.34 N=C(N)CC1CCC1 33747 [0,1,0,1,0,0|1,0,1]=4 665 B8R1.34 O=C(O)CC1CNC1 37024 [0,1,0,1,0,0|1,0,1]=4 666 B8R1.34 O=C(O)CC1COC1 66388 [0,1,0,1,0,0|1,0,1]=4 667 B8R1.34 O=C(O)CN1CCC1 55159 [0,1,0,1,0,0|1,0,1]=4 668 B8R1.35 CC(C)CNC1CC1 AC2517 [0,1,0,1,0,0|2,0,0]=4 669 B8R1.35 O=C(O)CNC1CC1 F14996 [0,1,0,1,0,0|1,0,1]=4 670 B8R1.35 O=C(O)CNC1CC1 W15242 [0,1,0,1,0,0|1,0,1]=4 671 B8R1.43 O=C(O)C1CC1CCl D85971 [0,1,0,1,0,0|1,0,1]=4 672 B8R1.43 O=C(O)[C@H]1C[C@@H]1CCl P19534 [0,1,0,1,0,0|1,0,1]=4 673 B8R1.48 NC[C@H]1CCC1(F)F P13855 [0,1,0,1,0,0|2,0,0]=4 674 B8R1.72 CC1(Br)CCCCC1 P19508 [0,1,0,1,0,0|1,0,0]=3 675 B8R1.72 CC1(Br)CCOCC1 AC1905 [0,1,0,1,0,0|2,0,0]=4 676 B8R1.72 CC1(C)CNCCO1 20348 [0,1,0,1,0,0|1,0,0]=3 677 B8R1.72 CC1(F)CCNCC1 72921 [0,1,0,1,0,0|2,0,0]=4 678 B8R1.72 CC1(N)CCNCC1 F30991 [0,1,0,1,0,0|2,0,0]=4 679 B8R1.72 CC1(N)CCOCC1 P16590 [0,1,0,1,0,0|2,0,0]=4 680 B8R1.72 CC1(O)CCOCC1 69121 [0,1,0,1,0,0|1,0,0]=3 681 B8R1.72 CC1(O)CCSCC1 C74963 [0,1,0,1,0,0|1,0,0]=3 682 B8R1.72 C[C@]1(O)CCCNC1 37167 [0,1,0,1,0,0|1,0,0]=3 683 B8R1.72 C[C@]1(O)CCCNC1 P18955 [0,1,0,1,0,0|1,0,0]=3 684 B8R1.72 C[C@]1(O)CCCNC1 Y10737 [0,1,0,1,0,0|1,0,0]=3 685 B8R1.72 FC1(F)CCNCC1 32752 [0,1,0,1,0,0|2,0,0]=4 686 B8R1.18 C[C@@H]1NC(=O)C[C@@H]1O C90245 [0,1,0,1,0,0|1,0,1]=4 687 B8R1.37 CCCC(=O)C1CC1 P18081 [0,1,0,1,0,0|1,0,1]=4 688 B8R1.37 CCOC(=O)[C@@H]1CO1 20558 [0,1,0,1,0,0|1,0,1]=4 689 B8R1.37 COC[C@H](N)C1CC1 D87133 [0,1,0,1,0,0|2,0,0]=4 690 B8R1.66 COCC1(N)CCC1 C77610 [0,1,0,1,0,0|2,0,0]=4 691 B8R1.66 N#CCC1(N)CCC1 F51977 [0,1,0,1,0,0|1,0,1]=4 692 B8R1.66 N#CCC1(O)CCC1 AC3670 [0,1,0,1,0,0|1,0,1]=4 693 B8R1.66 NC1(CCO)CCC1 F51938 [0,1,0,1,0,0|0,0,0]=2 694 B8R1.66 NC1(CCO)COC1 39014 [0,1,0,1,0,0|1,0,0]=3 695 B8R1.66 NC1(CCO)COC1 P19108 [0,1,0,1,0,0|1,0,0]=3 696 B8R1.66 NCCC1(O)COC1 D79127 [0,1,0,1,0,0|2,0,0]=4 697 B8R1.66 OCCC1(O)CCC1 F30304 [0,1,0,1,0,0|0,0,0]=2 698 B8R1.66 OCCC1(O)COC1 P18341 [0,1,0,1,0,0|1,0,0]=3 699 B8R2.11 N[C@@H]1[C@H]2COC[C@H]21 W12506 [0,0,0,2,0,0|2,0,0]=4 700 B8R2.22 C1CC2CNC2C1 D78832 [0,0,0,2,0,0|1,0,0]=3 701 B8R2.34 C1CC2CC1CN2 D73537 [0,0,0,2,0,0|1,0,0]=3 702 B8R2.34 C1CC2CC1CN2 P10332 [0,0,0,2,0,0|1,0,0]=3 703 B8R2.34 C1CC2CCC1C2 F16610 [0,0,0,2,0,0|1,0,0]=3 704 B8R2.34 C1CC2CCC1N2 39142 [0,0,0,2,0,0|1,0,0]=3 705 B8R2.34 C1OC2CNC1C2 CS1881 [0,0,0,2,0,0|1,0,0]=3 706 B8R2.34 C1OC2CNC1C2 SC1961 [0,0,0,2,0,0|1,0,0]=3 707 B8R2.34 C1O[C@@H]2CN[C@H]1C2 38911 [0,0,0,2,0,0|1,0,0]=3 708 B8R2.34 C1O[C@@H]2CN[C@H]1C2 P12383 [0,0,0,2,0,0|1,0,0]=3 709 B8R2.34 C1O[C@@H]2CN[C@H]1C2 P14495 [0,0,0,2,0,0|1,0,0]=3 710 B8R2.55 C1CC2(CC2)CN1 80452 [0,0,0,2,0,0|2,0,0]=4 711 B8R2.55 C1CC2(CC2)CN1 P11718 [0,0,0,2,0,0|2,0,0]=4 712 B8R2.55 C1CNC2(C1)CC2 AT12544 [0,0,0,2,0,0|1,0,0]=3 713 B8R2.18 O=C1CC2CC2C1 W10830 [0,0,0,2,0,0|0,0,2]=4 714 B8R2.23 C1NCC2CC1N2 F18876 [0,0,0,2,0,0|2,0,0]=4 715 B8R2.25 C1CNC2CC2C1 70876 [0,0,0,2,0,0|1,0,0]=3 716 B8R2.25 C1CNC2CC2N1 P18856 [0,0,0,2,0,0|2,0,0]=4 717 B8R2.38 O=C1CCC2CC12 P19135 [0,0,0,2,0,0|0,0,2]=4 718 B8R2.38 O=C1CCC2OC12 60057 [0,0,0,2,0,0|1,0,1]=4 719 B8R2.42 C1CC2(C1)CCN2 38572 [0,0,0,2,0,0|1,0,0]=3 720 B8R2.42 C1CC2(C1)CCN2 83734 [0,0,0,2,0,0|1,0,0]=3 721 B8R2.42 C1CC2(C1)CNC2 54112 [0,0,0,2,0,0|2,0,0]=4 722 B8R2.42 C1CC2(C1)CNC2 P11104 [0,0,0,2,0,0|2,0,0]=4 723 B8R2.42 C1CC2(CNC2)O1 32913 [0,0,0,2,0,0|1,0,0]=3 724 B8R2.42 C1CC2(CNC2)O1 38563 [0,0,0,2,0,0|1,0,0]=3 725 B8R2.42 C1CC2(COC2)N1 38573 [0,0,0,2,0,0|2,0,0]=4 726 B8R2.19 O=C1CCC12CC2 P10135 [0,0,0,2,0,0|0,0,2]=4 727 B8R2.19 O[C@H]1CCC12CC2 D96738 [0,0,0,2,0,0|0,0,0]=2 728 B8R2.24 C1CC1NC2CC2 67289 [0,0,0,2,0,0|2,0,0]=4