0 B6R0.6 BrCCNCCBr 35649 [0,0,0,0,0,0|4,0,0]=4 1 B6R0.6 C#CCCCCI C74272 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.6 C#CCCCCN 79352 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.6 C=CCNCCO W12833 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.6 CC#CCCCO W16152 [0,0,0,0,0,0|1,0,1]=2 5 B6R0.6 CCOCCCBr A11082 [0,0,0,0,0,0|3,0,0]=3 6 B6R0.6 CCOCCON W15834 [0,0,0,0,0,0|3,1,0]=4 7 B6R0.6 CC\C=C/CCI 98107 [0,0,0,0,0,0|2,0,2]=4 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|4,0,0]=4 12 B6R0.6 N#CCCCCBr D77353 [0,0,0,0,0,0|3,0,0]=3 13 B6R0.6 NCCCCCBr 97997 [0,0,0,0,0,0|3,0,0]=3 14 B6R0.6 NCCNCCN D81398 [0,0,0,0,0,0|4,0,0]=4 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|2,0,0]=2 17 B6R0.6 OCCOCCF AT25497 [0,0,0,0,0,0|3,0,0]=3 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|2,0,1]=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|1,1,0]=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|0,1,0]=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|0,1,1]=3 28 B7R0.1 C=CCCCCNC R10008 [0,1,0,0,0,0|2,0,0]=3 29 B7R0.1 CCCNCCCO AB4057 [0,1,0,0,0,0|1,0,0]=2 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|1,1,0]=3 32 B7R0.1 COCOCCC=O 32199 [0,1,0,0,0,0|0,1,2]=4 33 B7R0.1 FCCCCCCBr A50948 [0,1,0,0,0,0|2,0,0]=3 34 B7R0.1 N#CCCNCCO D94844 [0,1,0,0,0,0|2,0,0]=3 35 B7R0.1 N#CCCOCCO Y11313 [0,1,0,0,0,0|2,0,0]=3 36 B7R0.1 NCCCCCCBr D83295 [0,1,0,0,0,0|2,0,0]=3 37 B7R0.1 NCCCCCCS F31196 [0,1,0,0,0,0|1,1,0]=3 38 B7R0.1 NCCCNCCS W12623 [0,1,0,0,0,0|2,1,0]=4 39 B7R0.1 NCCCOCCO W11222 [0,1,0,0,0,0|2,0,0]=3 40 B7R0.3 CCC(=O)OCCO A11774 [0,1,0,0,0,0|2,0,1]=4 41 B7R0.3 COC(=O)CCCI F19766 [0,1,0,0,0,0|1,1,1]=4 42 B7R0.4 CC(=O)CCCCBr O11558 [0,1,0,0,0,0|2,0,0]=3 43 B7R0.4 CC(=O)OCCCBr C75766 [0,1,0,0,0,0|3,0,0]=4 44 B7R0.4 CC(C)CCCCBr C74820 [0,1,0,0,0,0|2,0,0]=3 45 B7R0.4 CCCNCC(C)C AC1640 [0,1,0,0,0,0|3,0,0]=4 46 B7R0.4 CCCOCC(=O)O AC1647 [0,1,0,0,0,0|2,0,1]=4 47 B7R0.4 CN(C)CCCCCl W16936 [0,1,0,0,0,0|2,0,0]=3 48 B7R0.4 CNCCCC(N)=O 21232 [0,1,0,0,0,0|1,0,2]=4 49 B7R0.4 COCCCC(=O)O 78063 [0,1,0,0,0,0|0,1,1]=3 50 B7R0.4 C[C@H](Cl)CCCCCl A12620 [0,1,0,0,0,0|2,0,0]=3 51 B7R0.4 O=C([O-])COCCO A11454 [0,1,0,0,0,0|3,0,0]=4 52 B7R0.7 CCC[C@H](Br)CCBr D94373 [0,1,0,0,0,0|2,0,0]=3 53 B7R0.7 CCC[C@H](N)CCO AT20461 [0,1,0,0,0,0|1,0,0]=2 54 B7R0.7 CCC[C@H](N)CCO I11080 [0,1,0,0,0,0|1,0,0]=2 55 B7R0.7 CCC[C@H](N)CCO N12794 [0,1,0,0,0,0|1,0,0]=2 56 B7R0.7 CN(CCO)CCO A10780 [0,1,0,0,0,0|3,0,0]=4 57 B7R0.7 COC[C@@H](N)CCO AT12992 [0,1,0,0,0,0|0,1,0]=2 58 B7R1.1 BrC[C@H]1CCOC1 84096 [0,0,0,1,0,0|1,1,0]=3 59 B7R1.1 C=CC1CCCC1 T72385 [0,0,0,1,0,0|2,0,1]=4 60 B7R1.1 CC[C@H]1CCCN1 F16886 [0,0,0,1,0,0|2,0,0]=3 61 B7R1.1 CC[C@H]1CCNC1 P14869 [0,0,0,1,0,0|2,0,0]=3 62 B7R1.1 CN[C@H]1CCOC1 P18534 [0,0,0,1,0,0|2,1,0]=4 63 B7R1.1 CN[C@H]1CCOC1 P18535 [0,0,0,1,0,0|2,1,0]=4 64 B7R1.1 COC1=CCCC1 D93350 [0,0,0,1,0,0|1,1,1]=4 65 B7R1.1 CO[C@H]1CCNC1 26935 [0,0,0,1,0,0|2,1,0]=4 66 B7R1.1 CO[C@H]1CCNC1 P10862 [0,0,0,1,0,0|2,1,0]=4 67 B7R1.1 FC[C@H]1CCCN1 37688 [0,0,0,1,0,0|3,0,0]=4 68 B7R1.1 FC[C@H]1CCCN1 P11073 [0,0,0,1,0,0|3,0,0]=4 69 B7R1.1 FC[C@H]1CCNC1 P18731 [0,0,0,1,0,0|2,0,0]=3 70 B7R1.1 N#C[C@@H]1CCCN1 37678 [0,0,0,1,0,0|3,0,0]=4 71 B7R1.1 N#C[C@@H]1CCCN1 68253 [0,0,0,1,0,0|3,0,0]=4 72 B7R1.1 N#C[C@@H]1CCCN1 68254 [0,0,0,1,0,0|3,0,0]=4 73 B7R1.1 N#C[C@@H]1CCCO1 31513 [0,0,0,1,0,0|2,0,0]=3 74 B7R1.1 N#C[C@@H]1CSCN1 68265 [0,0,0,1,0,0|2,0,1]=4 75 B7R1.1 N#C[C@H]1CCNC1 81493 [0,0,0,1,0,0|2,0,1]=4 76 B7R1.1 N#C[C@H]1CCNC1 81538 [0,0,0,1,0,0|2,0,1]=4 77 B7R1.1 N#C[C@H]1CCNC1 82703 [0,0,0,1,0,0|2,0,1]=4 78 B7R1.1 N#C[C@H]1CCOC1 39230 [0,0,0,1,0,0|1,1,1]=4 79 B7R1.1 N#C[C@H]1CCOC1 P12891 [0,0,0,1,0,0|1,1,1]=4 80 B7R1.1 NCC1CCCC1 P10292 [0,0,0,1,0,0|2,0,0]=3 81 B7R1.1 NC[C@H]1CCCN1 83159 [0,0,0,1,0,0|3,0,0]=4 82 B7R1.1 NC[C@H]1CCCO1 83007 [0,0,0,1,0,0|2,0,0]=3 83 B7R1.1 NC[C@H]1CCCO1 S11127 [0,0,0,1,0,0|2,0,0]=3 84 B7R1.1 NC[C@H]1CCOC1 37316 [0,0,0,1,0,0|1,1,0]=3 85 B7R1.1 NC[C@H]1CCOC1 68891 [0,0,0,1,0,0|1,1,0]=3 86 B7R1.1 NC[C@H]1CCOC1 P12031 [0,0,0,1,0,0|1,1,0]=3 87 B7R1.1 NNC1CCCC1 BL010355 [0,0,0,1,0,0|3,0,0]=4 88 B7R1.1 NOC1CCCC1 97655 [0,0,0,1,0,0|2,1,0]=4 89 B7R1.1 OC[C@H]1CCCO1 66575 [0,0,0,1,0,0|2,0,0]=3 90 B7R1.1 OC[C@H]1CCNC1 24481 [0,0,0,1,0,0|1,0,0]=2 91 B7R1.1 OC[C@H]1CCNC1 29239 [0,0,0,1,0,0|1,0,0]=2 92 B7R1.1 OC[C@H]1CCNC1 30959 [0,0,0,1,0,0|1,0,0]=2 93 B7R1.1 OC[C@H]1CCOC1 37313 [0,0,0,1,0,0|0,1,0]=2 94 B7R1.1 OC[C@H]1CCOC1 37314 [0,0,0,1,0,0|0,1,0]=2 95 B7R1.1 [C-]#[N+]C1CCCC1 T71226 [0,0,0,1,0,0|2,0,1]=4 96 B7R1.3 CC1=CCNCC1 A11257 [0,0,0,1,0,0|3,0,0]=4 97 B7R1.3 C[C@H]1CCCCN1 C73894 [0,0,0,1,0,0|2,0,0]=3 98 B7R1.3 C[C@H]1CCCNC1 36405 [0,0,0,1,0,0|2,0,0]=3 99 B7R1.3 C[C@H]1CNCCO1 24564 [0,0,0,1,0,0|2,0,0]=3 100 B7R1.3 C[C@H]1CNCCO1 27729 [0,0,0,1,0,0|2,0,0]=3 101 B7R1.3 C[C@H]1CNCCO1 F13460 [0,0,0,1,0,0|2,0,0]=3 102 B7R1.3 C[C@H]1CNCCO1 P11013 [0,0,0,1,0,0|2,0,0]=3 103 B7R1.3 C[C@H]1COCCN1 72593 [0,0,0,1,0,0|2,1,0]=4 104 B7R1.3 F[C@H]1CCCNC1 37161 [0,0,0,1,0,0|2,0,0]=3 105 B7R1.3 F[C@H]1CCCNC1 37162 [0,0,0,1,0,0|2,0,0]=3 106 B7R1.3 N[C@@H]1C=CCCC1 D84435 [0,0,0,1,0,0|2,0,1]=4 107 B7R1.3 N[C@H]1CCCNC1 C72133 [0,0,0,1,0,0|2,0,0]=3 108 B7R1.3 N[C@H]1CCCOC1 F10442 [0,0,0,1,0,0|1,1,0]=3 109 B7R1.3 O=C1CCCCS1 D95162 [0,0,0,1,0,0|2,1,0]=4 110 B7R1.3 O=C1CNCCO1 RB3226 [0,0,0,1,0,0|3,0,0]=4 111 B7R1.3 O=C1CSCCN1 23643 [0,0,0,1,0,0|1,0,2]=4 112 B7R1.3 O[C@@H]1C=CCNC1 S11183 [0,0,0,1,0,0|1,0,2]=4 113 B7R1.3 O[C@@H]1CNCCO1 26254 [0,0,0,1,0,0|2,0,0]=3 114 B7R1.3 O[C@H]1CCCOC1 P10754 [0,0,0,1,0,0|0,1,0]=2 115 B7R1.3 O[C@H]1CCCOC1 P10755 [0,0,0,1,0,0|0,1,0]=2 116 B7R1.3 SC1CCNCC1 39018 [0,0,0,1,0,0|2,1,0]=4 117 B7R1.3 SC1CCOCC1 AT12453 [0,0,0,1,0,0|2,1,0]=4 118 B7R1.3 S[C@H]1CCCNC1 P11853 [0,0,0,1,0,0|1,1,0]=3 119 B7R1.4 Br[C@H]1CCC[C@@H]1Br D97021 [0,0,0,1,0,0|3,0,0]=4 120 B7R1.4 CC1CNCC1C P18713 [0,0,0,1,0,0|3,0,0]=4 121 B7R1.4 C[C@@H]1CCC[C@@H]1N 72991 [0,0,0,1,0,0|2,0,0]=3 122 B7R1.4 C[C@@H]1CCC[C@@H]1O 72407 [0,0,0,1,0,0|1,0,0]=2 123 B7R1.4 C[C@@H]1CNC[C@@H]1F 73104 [0,0,0,1,0,0|3,0,0]=4 124 B7R1.4 C[C@@H]1CNC[C@@H]1N F13008 [0,0,0,1,0,0|3,0,0]=4 125 B7R1.4 C[C@@H]1CNC[C@@H]1O 72981 [0,0,0,1,0,0|2,0,0]=3 126 B7R1.4 C[C@H]1CCC[C@@H]1O 71002 [0,0,0,1,0,0|1,0,0]=2 127 B7R1.4 C[C@H]1CNC[C@@H]1O 72668 [0,0,0,1,0,0|2,0,0]=3 128 B7R1.4 C[C@H]1COC[C@@H]1N P16382 [0,0,0,1,0,0|3,0,0]=4 129 B7R1.4 C[C@H]1COC[C@@H]1O 73077 [0,0,0,1,0,0|2,0,0]=3 130 B7R1.4 NC1CCCC1N F16273 [0,0,0,1,0,0|3,0,0]=4 131 B7R1.4 NC1COCC1O O11159 [0,0,0,1,0,0|3,0,0]=4 132 B7R1.4 N[C@@H]1CCC[C@@H]1O P10925 [0,0,0,1,0,0|2,0,0]=3 133 B7R1.4 N[C@@H]1COC[C@@H]1O F53671 [0,0,0,1,0,0|3,0,0]=4 134 B7R1.4 N[C@@H]1COC[C@@H]1O P12686 [0,0,0,1,0,0|3,0,0]=4 135 B7R1.4 N[C@H]1CCC[C@@H]1F P17786 [0,0,0,1,0,0|3,0,0]=4 136 B7R1.4 N[C@H]1CCC[C@@H]1N F16352 [0,0,0,1,0,0|3,0,0]=4 137 B7R1.4 N[C@H]1CCC[C@@H]1O 71753 [0,0,0,1,0,0|2,0,0]=3 138 B7R1.4 N[C@H]1CCC[C@H]1N I12005 [0,0,0,1,0,0|3,0,0]=4 139 B7R1.4 N[C@H]1COC[C@@H]1O 71841 [0,0,0,1,0,0|3,0,0]=4 140 B7R1.4 N[C@H]1COC[C@@H]1O P12486 [0,0,0,1,0,0|3,0,0]=4 141 B7R1.4 N[C@H]1COC[C@@H]1O P15828 [0,0,0,1,0,0|3,0,0]=4 142 B7R1.4 O=C1OCC[C@@H]1O F14291 [0,0,0,1,0,0|3,0,0]=4 143 B7R1.4 O[C@@H]1CNC[C@@H]1F 72988 [0,0,0,1,0,0|3,0,0]=4 144 B7R1.4 O[C@H]1CCC=C1Br D79898 [0,0,0,1,0,0|2,0,1]=4 145 B7R1.4 O[C@H]1CNC[C@@H]1F 38827 [0,0,0,1,0,0|3,0,0]=4 146 B7R1.4 O[C@H]1CNC[C@@H]1F P15834 [0,0,0,1,0,0|3,0,0]=4 147 B7R1.4 O[C@H]1CNC[C@@H]1O 39002 [0,0,0,1,0,0|3,0,0]=4 148 B7R1.4 O[C@H]1CNC[C@@H]1O P15707 [0,0,0,1,0,0|3,0,0]=4 149 B7R1.4 O[C@H]1COC[C@@H]1F 73076 [0,0,0,1,0,0|3,0,0]=4 150 B7R1.4 O[C@H]1COC[C@@H]1O 66690 [0,0,0,1,0,0|3,0,0]=4 151 B7R1.6 C=CCC1CNC1 P14594 [0,0,0,1,0,0|2,0,1]=4 152 B7R1.6 CCNC1CCC1 W19308 [0,0,0,1,0,0|3,0,0]=4 153 B7R1.6 CCNC1COC1 32797 [0,0,0,1,0,0|2,1,0]=4 154 B7R1.6 CCOC1CNC1 C16603 [0,0,0,1,0,0|3,0,0]=4 155 B7R1.6 CNCC1COC1 32854 [0,0,0,1,0,0|2,1,0]=4 156 B7R1.6 CNC[C@H]1CCO1 D96714 [0,0,0,1,0,0|1,0,0]=2 157 B7R1.6 COCC1CNC1 36064 [0,0,0,1,0,0|2,1,0]=4 158 B7R1.6 COCC1CNC1 37073 [0,0,0,1,0,0|2,1,0]=4 159 B7R1.6 COC[C@H]1CCN1 38829 [0,0,0,1,0,0|1,1,0]=3 160 B7R1.6 COC[C@H]1CCN1 P15803 [0,0,0,1,0,0|1,1,0]=3 161 B7R1.6 N#CCC1CCC1 55430 [0,0,0,1,0,0|2,0,1]=4 162 B7R1.6 N#CCC1CNC1 P14687 [0,0,0,1,0,0|2,0,1]=4 163 B7R1.6 N#CCC1COC1 D79136 [0,0,0,1,0,0|1,1,1]=4 164 B7R1.6 NCCC1CCC1 P10851 [0,0,0,1,0,0|2,0,0]=3 165 B7R1.6 NCCC1COC1 85783 [0,0,0,1,0,0|1,1,0]=3 166 B7R1.6 NNCC1CCC1 P12716 [0,0,0,1,0,0|3,0,0]=4 167 B7R1.6 O=CCC1CCC1 55432 [0,0,0,1,0,0|1,0,2]=4 168 B7R1.6 O=CCC1COC1 CS2316 [0,0,0,1,0,0|0,1,2]=4 169 B7R1.6 OCCC1CCC1 32129 [0,0,0,1,0,0|1,0,0]=2 170 B7R1.6 OCCC1CNC1 P16512 [0,0,0,1,0,0|1,0,0]=2 171 B7R1.6 OCCC1COC1 32759 [0,0,0,1,0,0|0,1,0]=2 172 B7R1.6 OCCN1CCC1 70839 [0,0,0,1,0,0|2,0,0]=3 173 B7R1.6 OCC[C@H]1CCO1 P17680 [0,0,0,1,0,0|2,0,0]=3 174 B7R1.7 C=CCC[C@H]1CO1 61994 [0,0,0,1,0,0|1,0,1]=3 175 B7R1.7 OCCCC1CC1 F52480 [0,0,0,1,0,0|1,0,0]=2 176 B7R1.8 CN1CC[C@@H]1CN P15857 [0,0,0,1,0,0|2,0,0]=3 177 B7R1.8 CN1CC[C@@H]1CO 63438 [0,0,0,1,0,0|1,0,0]=2 178 B7R1.8 CN1CC[C@@H]1CO AT17142 [0,0,0,1,0,0|1,0,0]=2 179 B7R1.8 CN1CC[C@@H]1CO P18351 [0,0,0,1,0,0|1,0,0]=2 180 B7R1.8 CO[C@H]1CCC1=O P17941 [0,0,0,1,0,0|0,1,2]=4 181 B7R1.8 O=C1CC[C@@H]1CO P13853 [0,0,0,1,0,0|2,0,0]=3 182 B7R1.9 NCC1CC1CO C14991 [0,0,0,1,0,0|2,0,0]=3 183 B7R1.9 NC[C@H]1C[C@@H]1CN D79389 [0,0,0,1,0,0|3,0,0]=4 184 B7R1.9 OC[C@H]1C[C@H]1CO P16470 [0,0,0,1,0,0|2,0,0]=3 185 B7R1.24 C1CNCCOC1 80062 [0,0,0,1,0,0|2,0,0]=3 186 B4R0.2 BrCCCBr D77913 [2,0,0,0,0,0|2,0,0]=4 187 B4R0.2 CCCCN T70838 [2,0,0,0,0,0|1,0,0]=3 188 B4R0.2 CCONC AT14498 [2,0,0,0,0,0|2,0,0]=4 189 B4R0.2 COCCI A50601 [2,0,0,0,0,0|1,1,0]=4 190 B4R0.2 CSCCN D73275 [2,0,0,0,0,0|1,0,0]=3 191 B4R0.2 NCCCF 61303 [2,0,0,0,0,0|2,0,0]=4 192 B4R0.2 NCCCN T70045 [2,0,0,0,0,0|2,0,0]=4 193 B4R0.2 NCCCS A11074 [2,0,0,0,0,0|1,0,0]=3 194 B4R0.2 OCCCO D77845 [2,0,0,0,0,0|0,1,0]=3 195 B4R0.2 OCCCS D78398 [2,0,0,0,0,0|0,0,0]=2 196 B4R0.2 SCCCBr 77989 [2,0,0,0,0,0|1,0,0]=3 197 B6R0.1 C=CC[C@H](N)CO F16846 [1,1,0,0,0,0|0,0,2]=4 198 B6R0.1 CCC[C@@H](Br)CC D78429 [1,1,0,0,0,0|1,0,0]=3 199 B6R0.1 CCC[C@H](N)CO C13482 [1,1,0,0,0,0|0,0,0]=2 200 B6R0.1 CCNC(=O)CO 79517 [1,1,0,0,0,0|1,0,1]=4 201 B6R0.1 CCO[C@@H](C)CO 91003 [1,1,0,0,0,0|1,0,0]=3 202 B6R0.1 CC[C@H](S)CCO D84734 [1,1,0,0,0,0|0,0,0]=2 203 B6R0.1 CNC(=O)CCO AC6610 [1,1,0,0,0,0|1,0,1]=4 204 B6R0.1 COC[C@@H](O)CN 94767 [1,1,0,0,0,0|1,1,0]=4 205 B6R0.1 NCC[C@H](O)CO F51073 [1,1,0,0,0,0|1,0,0]=3 206 B6R0.1 N[C@H](CO)CCO AB10026 [1,1,0,0,0,0|0,1,0]=3 207 B6R0.1 N[C@H](CO)CCO AB10027 [1,1,0,0,0,0|0,1,0]=3 208 B6R0.1 N[C@H](CS)CCS F52529 [1,1,0,0,0,0|0,1,0]=3 209 B6R0.4 C=C(C)CCCBr 71968 [1,1,0,0,0,0|1,0,1]=4 210 B6R0.4 CC(=O)CCCBr 25631 [1,1,0,0,0,0|1,0,1]=4 211 B6R0.4 CC(C)CCC=O 31143 [1,1,0,0,0,0|0,0,2]=4 212 B6R0.4 CC(C)OCCBr 33996 [1,1,0,0,0,0|2,0,0]=4 213 B6R0.4 CC(C)OCCN T71353 [1,1,0,0,0,0|2,0,0]=4 214 B6R0.4 CCOCC(=O)O D73862 [1,1,0,0,0,0|1,0,1]=4 215 B6R0.4 CCOC[C@H](C)N 75202 [1,1,0,0,0,0|2,0,0]=4 216 B6R0.4 C[C@H](Cl)CCCCl A11066 [1,1,0,0,0,0|1,0,0]=3 217 B8R0.1 C#CCCC(=O)CCO N11427 [0,2,0,0,0,0|1,0,1]=4 218 B8R0.1 CCCC(=O)OCCO D81566 [0,2,0,0,0,0|1,0,1]=4 219 B8R0.1 CCCC[C@H](C)CCO D93301 [0,2,0,0,0,0|1,0,0]=3 220 B8R0.1 CCC[C@H](C)CCCO A12859 [0,2,0,0,0,0|1,0,0]=3 221 B8R0.1 CCOC(=O)CCCO C91677 [0,2,0,0,0,0|0,1,1]=4 222 B8R0.1 COCCN(C)CCO F18234 [0,2,0,0,0,0|0,1,0]=3 223 B8R0.4 C=CCCCCCCI W11175 [0,2,0,0,0,0|2,0,0]=4 224 B8R0.4 COCCCCCCBr S10679 [0,2,0,0,0,0|1,0,0]=3 225 B8R0.4 COCCOCCOC D72523 [0,2,0,0,0,0|0,1,0]=3 226 B8R0.4 COCOCOCOC 75318 [0,2,0,0,0,0|1,1,0]=4 227 B8R0.4 ClCCCOCCCCl FD13137 [0,2,0,0,0,0|2,0,0]=4 228 B8R0.4 NCCCOCCCO D84663 [0,2,0,0,0,0|1,0,0]=3 229 B8R0.4 OCCCOCCCO AT19326 [0,2,0,0,0,0|1,0,0]=3 230 B8R0.6 CCCCCC(=O)CBr C73149 [0,2,0,0,0,0|2,0,0]=4 231 B8R0.6 COC(=O)COCCO D84694 [0,2,0,0,0,0|0,1,1]=4 232 B8R0.7 CN(C)CCCCCN AC2504 [0,2,0,0,0,0|2,0,0]=4 233 B8R0.7 CN(C)CCOCCO D77714 [0,2,0,0,0,0|1,0,0]=3 234 B8R0.7 COCCNCC(=O)O W16095 [0,2,0,0,0,0|0,1,1]=4 235 B8R0.7 NCCCCCC(=O)O P19609 [0,2,0,0,0,0|1,0,1]=4 236 B8R0.7 NCCCCOC(F)F 89966 [0,2,0,0,0,0|1,1,0]=4 237 B8R0.7 O=C([O-])CCCCCO Y14708 [0,2,0,0,0,0|1,0,1]=4 238 B8R0.8 CCCC[C@H](O)C(=O)O C11377 [0,2,0,0,0,0|1,0,1]=4 239 B8R0.8 C[Se]CC[C@H](N)C(=O)O F20529 [0,2,0,0,0,0|0,1,1]=4 240 B8R0.9 CC(C)NC[C@H](O)CO C16156 [0,2,0,0,0,0|2,0,0]=4 241 B8R0.25 CCCCC(C)(C)CO A12319 [0,2,0,0,0,0|1,0,0]=3 242 B8R0.5 CCC[C@H](C)CC(C)=O D93522 [0,2,0,0,0,0|2,0,0]=4 243 B8R0.5 CCC[C@H](C)CC(C)C F17729 [0,2,0,0,0,0|2,0,0]=4 244 B8R0.5 CCC[C@H](N)CC(=O)O C76010 [0,2,0,0,0,0|1,0,1]=4 245 B6R1.1 C1CCNNC1 71659 [1,0,0,1,0,0|2,0,0]=4 246 B6R1.2 C[C@H]1CCNC1 69327 [1,0,0,1,0,0|1,0,0]=3 247 B6R1.2 C[C@H]1CCSC1 70016 [1,0,0,1,0,0|0,0,0]=2 248 B6R1.2 Cl[C@H]1CCNC1 W15835 [1,0,0,1,0,0|2,0,0]=4 249 B6R1.2 Cl[C@H]1CCOC1 N12419 [1,0,0,1,0,0|1,1,0]=4 250 B6R1.2 F[C@H]1CCNC1 P10396 [1,0,0,1,0,0|2,0,0]=4 251 B6R1.2 F[C@H]1CCNC1 P10397 [1,0,0,1,0,0|2,0,0]=4 252 B6R1.2 I[C@H]1CCOC1 37310 [1,0,0,1,0,0|1,1,0]=4 253 B6R1.2 I[C@H]1CCOC1 37311 [1,0,0,1,0,0|1,1,0]=4 254 B6R1.2 NN1CCCC1 F13227 [1,0,0,1,0,0|2,0,0]=4 255 B6R1.2 NN1CCCC1 S12058 [1,0,0,1,0,0|2,0,0]=4 256 B6R1.2 N[C@H]1CCSC1 70834 [1,0,0,1,0,0|1,0,0]=3 257 B6R1.2 O[C@H]1CCSC1 50208 [1,0,0,1,0,0|0,0,0]=2 258 B6R1.2 O[C@H]1CNOC1 31712 [1,0,0,1,0,0|1,1,0]=4 259 B6R1.3 BrCCC1CC1 32177 [1,0,0,1,0,0|1,0,0]=3 260 B6R1.3 BrCC[C@H]1CO1 F20905 [1,0,0,1,0,0|1,0,0]=3 261 B6R1.3 C#CCC1CC1 70830 [1,0,0,1,0,0|1,0,1]=4 262 B6R1.3 CNCC1CC1 P11100 [1,0,0,1,0,0|1,0,0]=3 263 B6R1.3 ICCC1CC1 73383 [1,0,0,1,0,0|1,0,0]=3 264 B6R1.3 NNCC1CC1 P11241 [1,0,0,1,0,0|2,0,0]=4 265 B6R1.3 NOCC1CC1 59190 [1,0,0,1,0,0|1,1,0]=4 266 B6R1.3 O=CCC1CC1 P10743 [1,0,0,1,0,0|0,0,2]=4 267 B6R1.4 CC1NCC1F P20228 [1,0,0,1,0,0|2,0,0]=4 268 B6R1.4 CC1OCC1O P16543 [1,0,0,1,0,0|1,0,0]=3 269 B6R1.4 C[C@H]1CCC1=O W18267 [1,0,0,1,0,0|0,0,2]=4 270 B6R1.4 C[C@H]1NC[C@@H]1F P20392 [1,0,0,1,0,0|2,0,0]=4 271 B6R1.4 C[C@H]1NC[C@@H]1O D79131 [1,0,0,1,0,0|1,0,0]=3 272 B6R1.4 C[C@H]1NC[C@@H]1O P18430 [1,0,0,1,0,0|1,0,0]=3 273 B6R1.4 NC1CCC1F P20418 [1,0,0,1,0,0|2,0,0]=4 274 B6R1.4 NC1CCC1O 94999 [1,0,0,1,0,0|1,0,0]=3 275 B6R1.4 N[C@@H]1CC[C@@H]1O P18786 [1,0,0,1,0,0|1,0,0]=3 276 B6R1.4 OC1CCC1O D79179 [1,0,0,1,0,0|0,1,0]=3 277 B6R1.4 O[C@H]1CC[C@@H]1O P21043 [1,0,0,1,0,0|0,1,0]=3 278 B6R1.6 BrC[C@H]1CCO1 28585 [1,0,0,1,0,0|1,0,0]=3 279 B6R1.6 BrC[C@H]1CCO1 D97141 [1,0,0,1,0,0|1,0,0]=3 280 B6R1.6 BrC[C@H]1CCO1 P21121 [1,0,0,1,0,0|1,0,0]=3 281 B6R1.6 C#C[C@@H]1CCO1 P18800 [1,0,0,1,0,0|0,0,2]=4 282 B6R1.6 CNC1CCC1 20929 [1,0,0,1,0,0|1,0,0]=3 283 B6R1.6 CSC1CNC1 37205 [1,0,0,1,0,0|1,0,0]=3 284 B6R1.6 FCC1CNC1 86811 [1,0,0,1,0,0|2,0,0]=4 285 B6R1.6 NCC1CNC1 26899 [1,0,0,1,0,0|2,0,0]=4 286 B6R1.6 NC[C@H]1CCN1 20184 [1,0,0,1,0,0|2,0,0]=4 287 B6R1.6 NC[C@H]1CCO1 P20441 [1,0,0,1,0,0|1,0,0]=3 288 B6R1.6 NNC1CCC1 AB1362 [1,0,0,1,0,0|2,0,0]=4 289 B6R1.6 NNC1CCC1 BL010353 [1,0,0,1,0,0|2,0,0]=4 290 B6R1.6 NNC1CSC1 BL010352 [1,0,0,1,0,0|2,0,0]=4 291 B6R1.6 OCC1CNC1 65945 [1,0,0,1,0,0|1,0,0]=3 292 B6R1.6 OC[C@H]1CCN1 36269 [1,0,0,1,0,0|1,0,0]=3 293 B6R1.6 OC[C@H]1CCN1 38353 [1,0,0,1,0,0|1,0,0]=3 294 B6R1.6 OC[C@H]1CCN1 38354 [1,0,0,1,0,0|1,0,0]=3 295 B6R1.6 OC[C@H]1CCO1 26540 [1,0,0,1,0,0|0,1,0]=3 296 B6R1.6 OC[C@H]1CCO1 AT10832 [1,0,0,1,0,0|0,1,0]=3 297 B6R1.6 OC[C@H]1CCO1 P19736 [1,0,0,1,0,0|0,1,0]=3 298 B6R1.8 C[C@H]1C[C@@H]1CO 72702 [1,0,0,1,0,0|0,0,0]=2 299 B6R1.8 OC[C@H]1C[C@@H]1F CS3459 [1,0,0,1,0,0|1,0,0]=3 300 B8R1.2 BrCC1=CCCCC1 37274 [0,1,0,1,0,0|2,0,0]=4 301 B8R1.2 BrC[C@H]1CCCNC1 AC3913 [0,1,0,1,0,0|2,0,0]=4 302 B8R1.2 BrC[C@H]1CCCOC1 38662 [0,1,0,1,0,0|1,1,0]=4 303 B8R1.2 C#C[C@H]1CCCNC1 P11150 [0,1,0,1,0,0|2,0,0]=4 304 B8R1.2 C#C[C@H]1CCCNC1 P11485 [0,1,0,1,0,0|2,0,0]=4 305 B8R1.2 CCC1CCNCC1 W10090 [0,1,0,1,0,0|2,0,0]=4 306 B8R1.2 CC[C@H]1CCCCN1 Y10457 [0,1,0,1,0,0|2,0,0]=4 307 B8R1.2 CC[C@H]1CNCCN1 28366 [0,1,0,1,0,0|2,0,0]=4 308 B8R1.2 CC[C@H]1CNCCN1 I11833 [0,1,0,1,0,0|2,0,0]=4 309 B8R1.2 CC[C@H]1COCCN1 F17630 [0,1,0,1,0,0|1,1,0]=4 310 B8R1.2 CC[C@H]1COCCN1 FD6008 [0,1,0,1,0,0|1,1,0]=4 311 B8R1.2 CNC1CCNCC1 Y10435 [0,1,0,1,0,0|2,0,0]=4 312 B8R1.2 CNC1CCSCC1 D93432 [0,1,0,1,0,0|2,0,0]=4 313 B8R1.2 COC1=NCCCC1 D87703 [0,1,0,1,0,0|1,1,0]=4 314 B8R1.2 ClCC1CCNCC1 P17439 [0,1,0,1,0,0|2,0,0]=4 315 B8R1.2 ClCC1CCOCC1 C77585 [0,1,0,1,0,0|1,1,0]=4 316 B8R1.2 ClC[C@H]1CCCCN1 87776 [0,1,0,1,0,0|2,0,0]=4 317 B8R1.2 FCC1CCNCC1 F10330 [0,1,0,1,0,0|2,0,0]=4 318 B8R1.2 FC[C@H]1CCCNC1 24250 [0,1,0,1,0,0|2,0,0]=4 319 B8R1.2 ICC1CCCCC1 AC1131 [0,1,0,1,0,0|2,0,0]=4 320 B8R1.2 IC[C@H]1CCCCO1 P19885 [0,1,0,1,0,0|1,0,0]=3 321 B8R1.2 IC[C@H]1CCCOC1 P20725 [0,1,0,1,0,0|1,1,0]=4 322 B8R1.2 N#CC1CCSCC1 29706 [0,1,0,1,0,0|1,0,1]=4 323 B8R1.2 N#C[C@@H]1CCCCO1 W16123 [0,1,0,1,0,0|1,0,1]=4 324 B8R1.2 N#C[C@@H]1CNCCO1 90459 [0,1,0,1,0,0|2,0,0]=4 325 B8R1.2 N#C[C@@H]1CNCCO1 F18970 [0,1,0,1,0,0|2,0,0]=4 326 B8R1.2 N#C[C@@H]1CNCCO1 F18991 [0,1,0,1,0,0|2,0,0]=4 327 B8R1.2 N#C[C@H]1CCCNC1 81492 [0,1,0,1,0,0|2,0,0]=4 328 B8R1.2 N#C[C@H]1CCCNC1 81537 [0,1,0,1,0,0|2,0,0]=4 329 B8R1.2 N#C[C@H]1CCCNC1 P11046 [0,1,0,1,0,0|2,0,0]=4 330 B8R1.2 N#C[C@H]1CCCNC1 P18961 [0,1,0,1,0,0|2,0,0]=4 331 B8R1.2 NCC1CCSCC1 P11855 [0,1,0,1,0,0|1,0,0]=3 332 B8R1.2 NCC1CCSCC1 P17457 [0,1,0,1,0,0|1,0,0]=3 333 B8R1.2 NC[C@H]1CCCOC1 SC1491 [0,1,0,1,0,0|1,1,0]=4 334 B8R1.2 NC[C@H]1COCCO1 39092 [0,1,0,1,0,0|1,1,0]=4 335 B8R1.2 NC[C@H]1COCCO1 39093 [0,1,0,1,0,0|1,1,0]=4 336 B8R1.2 NNC1CCSCC1 BL010348 [0,1,0,1,0,0|2,0,0]=4 337 B8R1.2 NN[C@H]1CCCOC1 P17922 [0,1,0,1,0,0|1,1,0]=4 338 B8R1.2 O=C[C@@H]1CCCCO1 79885 [0,1,0,1,0,0|1,0,1]=4 339 B8R1.2 O=C[C@@H]1COCCO1 D78647 [0,1,0,1,0,0|2,0,0]=4 340 B8R1.2 O=C[C@H]1CCCOC1 79874 [0,1,0,1,0,0|0,1,1]=4 341 B8R1.2 OC[C@H]1CCCNC1 36372 [0,1,0,1,0,0|1,0,0]=3 342 B8R1.2 OC[C@H]1CCCNC1 F14592 [0,1,0,1,0,0|1,0,0]=3 343 B8R1.2 OC[C@H]1CCCNC1 H10949 [0,1,0,1,0,0|1,0,0]=3 344 B8R1.2 OC[C@H]1CCCOC1 38674 [0,1,0,1,0,0|0,1,0]=3 345 B8R1.2 OC[C@H]1CNCCN1 C14871 [0,1,0,1,0,0|1,0,0]=3 346 B8R1.2 OC[C@H]1CNCCN1 I11571 [0,1,0,1,0,0|1,0,0]=3 347 B8R1.2 OC[C@H]1CNCCO1 25692 [0,1,0,1,0,0|1,0,0]=3 348 B8R1.2 OC[C@H]1CNCCO1 SC3851 [0,1,0,1,0,0|1,0,0]=3 349 B8R1.2 OC[C@H]1COCCN1 25689 [0,1,0,1,0,0|0,1,0]=3 350 B8R1.2 OC[C@H]1COCCN1 26203 [0,1,0,1,0,0|0,1,0]=3 351 B8R1.2 OC[C@H]1COCCN1 P15853 [0,1,0,1,0,0|0,1,0]=3 352 B8R1.2 OC[C@H]1COCCO1 Y10090 [0,1,0,1,0,0|0,1,0]=3 353 B8R1.2 OC[C@H]1COCCO1 Y10091 [0,1,0,1,0,0|0,1,0]=3 354 B8R1.5 C=C1CCCC[C@@H]1O D94315 [0,1,0,1,0,0|1,0,1]=4 355 B8R1.5 CC1CCNCC1O 38882 [0,1,0,1,0,0|1,0,0]=3 356 B8R1.5 CC1CNCCC1O 20765 [0,1,0,1,0,0|1,0,0]=3 357 B8R1.5 CC1CNCCC1O 33365 [0,1,0,1,0,0|1,0,0]=3 358 B8R1.5 CC1COCCC1N 33469 [0,1,0,1,0,0|1,1,0]=4 359 B8R1.5 CC1NCCOC1C F12405 [0,1,0,1,0,0|2,0,0]=4 360 B8R1.5 C[C@@H]1CCCC[C@@H]1N Y10408 [0,1,0,1,0,0|2,0,0]=4 361 B8R1.5 C[C@@H]1CCCC[C@@H]1N Y10409 [0,1,0,1,0,0|2,0,0]=4 362 B8R1.5 C[C@@H]1COCC[C@@H]1N P14106 [0,1,0,1,0,0|1,1,0]=4 363 B8R1.5 C[C@H]1CCCCC1=O D77719 [0,1,0,1,0,0|1,0,1]=4 364 B8R1.5 C[C@H]1CCCN[C@H]1C P18680 [0,1,0,1,0,0|2,0,0]=4 365 B8R1.5 C[C@H]1CCCOC1=O AB4082 [0,1,0,1,0,0|2,0,0]=4 366 B8R1.5 C[C@H]1CCNC[C@@H]1O 38883 [0,1,0,1,0,0|1,0,0]=3 367 B8R1.5 C[C@H]1CNCCN1C 37822 [0,1,0,1,0,0|2,0,0]=4 368 B8R1.5 C[C@H]1CNCCN1C P11245 [0,1,0,1,0,0|2,0,0]=4 369 B8R1.5 C[C@H]1CNCCN1C Y10614 [0,1,0,1,0,0|2,0,0]=4 370 B8R1.5 C[C@H]1CNCC[C@@H]1O P15603 [0,1,0,1,0,0|1,0,0]=3 371 B8R1.5 C[C@H]1COCC[C@@H]1N P15602 [0,1,0,1,0,0|1,1,0]=4 372 B8R1.5 C[C@H]1CSCCC1=O 70869 [0,1,0,1,0,0|1,0,1]=4 373 B8R1.5 NC1CCOCC1O P16839 [0,1,0,1,0,0|0,1,0]=3 374 B8R1.5 N[C@@H]1CCOC[C@@H]1F P14573 [0,1,0,1,0,0|1,1,0]=4 375 B8R1.5 N[C@@H]1CCOC[C@@H]1O P14531 [0,1,0,1,0,0|0,1,0]=3 376 B8R1.5 N[C@@H]1CCOC[C@@H]1O P19745 [0,1,0,1,0,0|0,1,0]=3 377 B8R1.5 N[C@@H]1COCC[C@@H]1O P16186 [0,1,0,1,0,0|1,1,0]=4 378 B8R1.5 N[C@H]1CCCC[C@@H]1F 72976 [0,1,0,1,0,0|2,0,0]=4 379 B8R1.5 N[C@H]1CCCC[C@@H]1F D79011 [0,1,0,1,0,0|2,0,0]=4 380 B8R1.5 N[C@H]1CCCC[C@@H]1F P18297 [0,1,0,1,0,0|2,0,0]=4 381 B8R1.5 N[C@H]1CCCC[C@@H]1N 47900 [0,1,0,1,0,0|2,0,0]=4 382 B8R1.5 N[C@H]1CCCC[C@H]1N A11421 [0,1,0,1,0,0|2,0,0]=4 383 B8R1.5 N[C@H]1CCOC[C@@H]1F P14548 [0,1,0,1,0,0|1,1,0]=4 384 B8R1.5 N[C@H]1CCOC[C@@H]1F P14593 [0,1,0,1,0,0|1,1,0]=4 385 B8R1.5 N[C@H]1CCOC[C@@H]1O 38664 [0,1,0,1,0,0|0,1,0]=3 386 B8R1.5 N[C@H]1CCOC[C@@H]1O 39432 [0,1,0,1,0,0|0,1,0]=3 387 B8R1.5 N[C@H]1CCOC[C@@H]1O 39433 [0,1,0,1,0,0|0,1,0]=3 388 B8R1.5 N[C@H]1COCC[C@@H]1F P21120 [0,1,0,1,0,0|1,1,0]=4 389 B8R1.5 N[C@H]1COCC[C@@H]1O P14664 [0,1,0,1,0,0|1,1,0]=4 390 B8R1.5 O=C1NCCC[C@@H]1O 27231 [0,1,0,1,0,0|1,0,1]=4 391 B8R1.5 O=C1OCCC[C@@H]1O 27422 [0,1,0,1,0,0|0,1,1]=4 392 B8R1.5 OC1CCOCC1F P14713 [0,1,0,1,0,0|1,1,0]=4 393 B8R1.5 O[C@@H]1CCNC[C@@H]1F 37699 [0,1,0,1,0,0|2,0,0]=4 394 B8R1.5 O[C@@H]1CCNC[C@@H]1F 39257 [0,1,0,1,0,0|2,0,0]=4 395 B8R1.5 O[C@@H]1CCNC[C@@H]1F P15698 [0,1,0,1,0,0|2,0,0]=4 396 B8R1.5 O[C@H]1CCCC[C@@H]1O C14127 [0,1,0,1,0,0|1,0,0]=3 397 B8R1.5 O[C@H]1CCNC[C@@H]1F 37698 [0,1,0,1,0,0|2,0,0]=4 398 B8R1.5 O[C@H]1CCNC[C@@H]1F P13776 [0,1,0,1,0,0|2,0,0]=4 399 B8R1.5 O[C@H]1CCNC[C@@H]1O P10847 [0,1,0,1,0,0|1,0,0]=3 400 B8R1.5 O[C@H]1CCNC[C@@H]1O P17759 [0,1,0,1,0,0|1,0,0]=3 401 B8R1.5 O[C@H]1CNCC[C@@H]1F P14517 [0,1,0,1,0,0|1,0,0]=3 402 B8R1.5 O[C@H]1CNCC[C@H]1O P15637 [0,1,0,1,0,0|1,0,0]=3 403 B8R1.5 O[C@H]1CSSC[C@@H]1O D82089 [0,1,0,1,0,0|1,0,0]=3 404 B8R1.8 BrCCC1CCCC1 C78009 [0,1,0,1,0,0|2,0,0]=4 405 B8R1.8 CCN[C@H]1CCNC1 T72394 [0,1,0,1,0,0|2,0,0]=4 406 B8R1.8 CCN[C@H]1CCOC1 F14260 [0,1,0,1,0,0|1,1,0]=4 407 B8R1.8 CCO[C@H]1CCNC1 P10149 [0,1,0,1,0,0|2,0,0]=4 408 B8R1.8 CNC[C@H]1CCCN1 P18036 [0,1,0,1,0,0|2,0,0]=4 409 B8R1.8 COC[C@H]1CCCN1 11152 [0,1,0,1,0,0|1,1,0]=4 410 B8R1.8 COC[C@H]1CCCN1 11153 [0,1,0,1,0,0|1,1,0]=4 411 B8R1.8 COC[C@H]1CCCN1 71289 [0,1,0,1,0,0|1,1,0]=4 412 B8R1.8 COC[C@H]1CCNC1 72010 [0,1,0,1,0,0|1,0,0]=3 413 B8R1.8 COC[C@H]1CCNC1 P10622 [0,1,0,1,0,0|1,0,0]=3 414 B8R1.8 COC[C@H]1CCNC1 P12588 [0,1,0,1,0,0|1,0,0]=3 415 B8R1.8 COC[C@H]1CCNC1 P15249 [0,1,0,1,0,0|1,0,0]=3 416 B8R1.8 COC[C@H]1CCNC1 P15255 [0,1,0,1,0,0|1,0,0]=3 417 B8R1.8 ClCCC1CCCC1 AC1057 [0,1,0,1,0,0|2,0,0]=4 418 B8R1.8 NCCC1OCCO1 T71082 [0,1,0,1,0,0|2,0,0]=4 419 B8R1.8 NNCC1CCCC1 P11240 [0,1,0,1,0,0|2,0,0]=4 420 B8R1.8 O=CCC1CCCC1 F11683 [0,1,0,1,0,0|1,0,1]=4 421 B8R1.8 OCCC1OCCO1 W16263 [0,1,0,1,0,0|2,0,0]=4 422 B8R1.8 OCC[C@H]1CCCN1 50275 [0,1,0,1,0,0|1,0,0]=3 423 B8R1.8 OCC[C@H]1CCCN1 62964 [0,1,0,1,0,0|1,0,0]=3 424 B8R1.10 CCOCC1CNC1 D84845 [0,1,0,1,0,0|2,0,0]=4 425 B8R1.10 OCCCC1COC1 89590 [0,1,0,1,0,0|0,1,0]=3 426 B8R1.10 OCCCN1CCC1 70850 [0,1,0,1,0,0|1,0,0]=3 427 B8R1.11 C#CC1CCCC1O 30575 [0,1,0,1,0,0|1,0,1]=4 428 B8R1.11 CN1CCC[C@@H]1CBr N13118 [0,1,0,1,0,0|2,0,0]=4 429 B8R1.11 CN1CCC[C@@H]1CCl D83790 [0,1,0,1,0,0|2,0,0]=4 430 B8R1.11 CN1CCC[C@@H]1CN 39178 [0,1,0,1,0,0|2,0,0]=4 431 B8R1.11 CN[C@@H]1CCC[C@@H]1O D96687 [0,1,0,1,0,0|1,0,0]=3 432 B8R1.11 CN[C@@H]1CCC[C@@H]1O D97032 [0,1,0,1,0,0|1,0,0]=3 433 B8R1.11 CN[C@H]1CCC[C@@H]1O D97028 [0,1,0,1,0,0|1,0,0]=3 434 B8R1.11 CO[C@H]1CNC[C@@H]1F 38828 [0,1,0,1,0,0|1,1,0]=4 435 B8R1.11 CO[C@H]1CNC[C@@H]1O 38826 [0,1,0,1,0,0|0,1,0]=3 436 B8R1.11 CO[C@H]1CNC[C@@H]1O P14110 [0,1,0,1,0,0|0,1,0]=3 437 B8R1.11 CO[C@H]1CNC[C@H]1O P17936 [0,1,0,1,0,0|0,1,0]=3 438 B8R1.11 C[C@H]1CNC[C@@H]1CO C77269 [0,1,0,1,0,0|1,0,0]=3 439 B8R1.11 NCC1CCCC1N F20645 [0,1,0,1,0,0|2,0,0]=4 440 B8R1.11 NC[C@@H]1COC[C@@H]1O P14613 [0,1,0,1,0,0|1,1,0]=4 441 B8R1.11 NC[C@H]1COC[C@@H]1O P14625 [0,1,0,1,0,0|1,1,0]=4 442 B8R1.11 O=C1CCC[C@@H]1CO C73905 [0,1,0,1,0,0|1,0,1]=4 443 B8R1.11 O=C1NCC[C@@H]1CO P12214 [0,1,0,1,0,0|1,0,1]=4 444 B8R1.11 OCC1CNCC1O 73097 [0,1,0,1,0,0|1,0,0]=3 445 B8R1.12 OC[C@H]1CC[C@H]1CO W19717 [0,1,0,1,0,0|1,0,0]=3 446 B8R1.22 BrC1CCCCCC1 F53566 [0,1,0,1,0,0|2,0,0]=4 447 B8R1.22 CC1CNCCNC1 70848 [0,1,0,1,0,0|2,0,0]=4 448 B8R1.22 C[C@H]1CCCCCN1 D79537 [0,1,0,1,0,0|2,0,0]=4 449 B8R1.22 C[C@H]1CCCCCN1 D79538 [0,1,0,1,0,0|2,0,0]=4 450 B8R1.22 C[C@H]1CCCCCN1 W10101 [0,1,0,1,0,0|2,0,0]=4 451 B8R1.22 C[C@H]1CCCCNC1 72971 [0,1,0,1,0,0|2,0,0]=4 452 B8R1.22 C[C@H]1CCNCCN1 70847 [0,1,0,1,0,0|2,0,0]=4 453 B8R1.22 C[C@H]1CNCCCO1 72856 [0,1,0,1,0,0|1,0,0]=3 454 B8R1.22 C[C@H]1CNCCOC1 73160 [0,1,0,1,0,0|1,1,0]=4 455 B8R1.22 N[C@H]1CCCNCC1 36658 [0,1,0,1,0,0|2,0,0]=4 456 B8R1.22 N[C@H]1CNCCOC1 P20272 [0,1,0,1,0,0|1,1,0]=4 457 B8R1.22 O=C1CCCCNC1 50109 [0,1,0,1,0,0|1,0,1]=4 458 B8R1.22 O=C1CCCOCC1 P12770 [0,1,0,1,0,0|1,0,1]=4 459 B8R1.22 O=C1CNCCOC1 P20266 [0,1,0,1,0,0|2,0,0]=4 460 B8R1.22 O=C1COCCCN1 71169 [0,1,0,1,0,0|2,0,0]=4 461 B8R1.22 O=C1OCCCCO1 D93115 [0,1,0,1,0,0|0,1,1]=4 462 B8R1.22 OC1CNCCNC1 77717 [0,1,0,1,0,0|1,0,0]=3 463 B8R1.36 NCCNCC1CC1 P18278 [0,1,0,1,0,0|2,0,0]=4 464 B8R1.36 OCCCC[C@H]1CO1 F52608 [0,1,0,1,0,0|0,1,0]=3 465 B8R1.36 OCCNCC1CC1 AC1354 [0,1,0,1,0,0|1,0,0]=3 466 B8R1.1 CN1CC[C@H](CN)C1 P13795 [0,1,0,1,0,0|2,0,0]=4 467 B8R1.1 CN1CC[C@H](CN)C1 P13796 [0,1,0,1,0,0|2,0,0]=4 468 B8R1.1 CN1CC[C@H](CO)C1 22985 [0,1,0,1,0,0|1,0,0]=3 469 B8R1.1 CN1CC[C@H](CO)C1 37309 [0,1,0,1,0,0|1,0,0]=3 470 B8R1.1 COC1CCC(N)C1 33463 [0,1,0,1,0,0|1,1,0]=4 471 B8R1.1 COC1CCC(O)C1 P19125 [0,1,0,1,0,0|0,1,0]=3 472 B8R1.1 CO[C@H]1CC[C@@H](N)C1 P19923 [0,1,0,1,0,0|1,1,0]=4 473 B8R1.1 CO[C@H]1CC[C@H](N)C1 P17830 [0,1,0,1,0,0|1,1,0]=4 474 B8R1.1 C[C@@H]1CC[C@H](CO)O1 73085 [0,1,0,1,0,0|1,0,0]=3 475 B8R1.1 N#CC1CCC(O)C1 W19383 [0,1,0,1,0,0|2,0,0]=4 476 B8R1.1 N#C[C@@H]1CC[C@H](O)C1 73072 [0,1,0,1,0,0|2,0,0]=4 477 B8R1.1 N#C[C@H]1CC[C@H](O)C1 73073 [0,1,0,1,0,0|2,0,0]=4 478 B8R1.1 NCC1CCC(F)C1 72980 [0,1,0,1,0,0|2,0,0]=4 479 B8R1.1 NCC1CCC(O)C1 72949 [0,1,0,1,0,0|2,0,0]=4 480 B8R1.1 NC[C@H]1CC[C@H](F)C1 72985 [0,1,0,1,0,0|2,0,0]=4 481 B8R1.1 N[C@@H]1CN[C@@H](CO)C1 91826 [0,1,0,1,0,0|2,0,0]=4 482 B8R1.1 O=C1CC[C@H](CO)C1 D79584 [0,1,0,1,0,0|1,0,0]=3 483 B8R1.1 O=C1CC[C@H](CO)O1 80970 [0,1,0,1,0,0|2,0,0]=4 484 B8R1.1 O=C1C[C@H](CO)CN1 P11209 [0,1,0,1,0,0|1,0,1]=4 485 B8R1.1 OC[C@@H]1C[C@H](F)CN1 D79544 [0,1,0,1,0,0|2,0,0]=4 486 B8R1.1 OC[C@@H]1C[C@H](O)CN1 S10025 [0,1,0,1,0,0|2,0,0]=4 487 B8R1.3 CC1CCC(O)CC1 D73186 [0,1,0,1,0,0|1,0,0]=3 488 B8R1.3 C[C@H]1CC[C@H](O)CC1 A12839 [0,1,0,1,0,0|1,0,0]=3 489 B8R1.3 C[C@H]1CO[C@@H](C)CN1 C15026 [0,1,0,1,0,0|2,0,0]=4 490 B8R1.3 Cl[C@H]1CC[C@H](Cl)CC1 T70403 [0,1,0,1,0,0|2,0,0]=4 491 B8R1.3 NC1CCC(Br)CC1 FD10595 [0,1,0,1,0,0|2,0,0]=4 492 B8R1.3 N[C@H]1CC[C@@H](F)CC1 72603 [0,1,0,1,0,0|2,0,0]=4 493 B8R1.3 N[C@H]1CC[C@@H](N)CC1 T70349 [0,1,0,1,0,0|2,0,0]=4 494 B8R1.3 O=C1CC[C@H](O)CN1 62219 [0,1,0,1,0,0|1,0,1]=4 495 B8R1.3 O=C1CC[C@H](O)CO1 F13840 [0,1,0,1,0,0|0,1,1]=4 496 B8R1.3 OC1CCC(F)CC1 P13200 [0,1,0,1,0,0|1,0,0]=3 497 B8R1.38 CC[C@H](O)C1COC1 P20426 [0,1,0,1,0,0|1,1,0]=4 498 B8R1.41 CC1(CCCO)N=N1 F18366 [0,1,0,1,0,0|2,0,0]=4 499 B8R1.47 COC1CC(CN)C1 P19107 [0,1,0,1,0,0|1,1,0]=4 500 B8R1.47 COC1CC(CO)C1 P20964 [0,1,0,1,0,0|0,1,0]=3 501 B8R1.47 CO[C@H]1C[C@@H](CN)C1 P17262 [0,1,0,1,0,0|1,1,0]=4 502 B8R1.47 CO[C@H]1C[C@H](CN)C1 P17705 [0,1,0,1,0,0|1,1,0]=4 503 B8R1.47 N#CC1CC(CO)C1 D95192 [0,1,0,1,0,0|2,0,0]=4 504 B8R1.47 NCC1CC(CO)C1 P14791 [0,1,0,1,0,0|2,0,0]=4 505 B8R1.47 OCC1CC(CO)C1 P19528 [0,1,0,1,0,0|2,0,0]=4 506 B8R1.47 OC[C@@H]1C[C@H](CO)N1 P20757 [0,1,0,1,0,0|2,0,0]=4 507 B8R1.52 CC1(CN)CCCC1 72592 [0,1,0,1,0,0|2,0,0]=4 508 B8R1.52 CC1(CO)CCCC1 90940 [0,1,0,1,0,0|1,0,0]=3 509 B8R1.52 C[C@]1(CN)CCCO1 P18524 [0,1,0,1,0,0|2,0,0]=4 510 B8R1.52 C[C@]1(CN)CCNC1 38021 [0,1,0,1,0,0|2,0,0]=4 511 B8R1.52 C[C@]1(CN)CCOC1 38929 [0,1,0,1,0,0|1,1,0]=4 512 B8R1.52 C[C@]1(CO)CCCN1 38943 [0,1,0,1,0,0|2,0,0]=4 513 B8R1.52 C[C@]1(CO)CCNC1 73010 [0,1,0,1,0,0|1,0,0]=3 514 B8R1.52 C[C@]1(CO)CCOC1 P13013 [0,1,0,1,0,0|0,1,0]=3 515 B8R1.52 NCC1(O)CCCC1 37961 [0,1,0,1,0,0|2,0,0]=4 516 B8R1.52 N[C@@]1(CO)CCOC1 P12315 [0,1,0,1,0,0|0,1,0]=3 517 B8R1.52 OC[C@]1(F)CCNC1 73170 [0,1,0,1,0,0|1,0,0]=3 518 B8R1.52 OC[C@]1(O)CCNC1 P16014 [0,1,0,1,0,0|1,0,0]=3 519 B8R1.52 O[C@@]1(CF)CCNC1 37759 [0,1,0,1,0,0|2,0,0]=4 520 B8R1.4 CC1CC(N)CCO1 D78849 [0,1,0,1,0,0|1,0,0]=3 521 B8R1.4 CC1CC(N)CCO1 P16002 [0,1,0,1,0,0|1,0,0]=3 522 B8R1.4 CC1CC(O)CCN1 33466 [0,1,0,1,0,0|2,0,0]=4 523 B8R1.4 CC1CC(O)CCN1 P17258 [0,1,0,1,0,0|2,0,0]=4 524 B8R1.4 CC1CNCC(C)O1 F18860 [0,1,0,1,0,0|2,0,0]=4 525 B8R1.4 CC1CNCC(O)C1 AC5056 [0,1,0,1,0,0|1,0,0]=3 526 B8R1.4 CN1CCC[C@H](N)C1 37174 [0,1,0,1,0,0|2,0,0]=4 527 B8R1.4 CN1CCC[C@H](N)C1 37175 [0,1,0,1,0,0|2,0,0]=4 528 B8R1.4 CN1CCC[C@H](N)C1 F13528 [0,1,0,1,0,0|2,0,0]=4 529 B8R1.4 CN1CCC[C@H](N)C1 P12011 [0,1,0,1,0,0|2,0,0]=4 530 B8R1.4 C[C@@H]1CCC[C@H](N)C1 D84824 [0,1,0,1,0,0|2,0,0]=4 531 B8R1.4 C[C@@H]1CNC[C@H](C)C1 F12546 [0,1,0,1,0,0|2,0,0]=4 532 B8R1.4 C[C@H]1CC(=O)CCO1 P11761 [0,1,0,1,0,0|1,0,1]=4 533 B8R1.4 C[C@H]1CNC[C@H](C)O1 38409 [0,1,0,1,0,0|2,0,0]=4 534 B8R1.4 C[C@H]1CNC[C@H](C)O1 70211 [0,1,0,1,0,0|2,0,0]=4 535 B8R1.4 NC1COCC(O)C1 91463 [0,1,0,1,0,0|0,1,0]=3 536 B8R1.4 N[C@@H]1CCC[C@H](O)C1 AT10768 [0,1,0,1,0,0|1,0,0]=3 537 B8R1.4 N[C@@H]1CCC[C@H](O)C1 C14447 [0,1,0,1,0,0|1,0,0]=3 538 B8R1.4 N[C@@H]1CCC[C@H](O)C1 F11498 [0,1,0,1,0,0|1,0,0]=3 539 B8R1.4 N[C@H]1CCCC(=O)C1 20374 [0,1,0,1,0,0|2,0,0]=4 540 B8R1.4 N[C@H]1CCC[C@@H](N)C1 P15640 [0,1,0,1,0,0|2,0,0]=4 541 B8R1.4 N[C@H]1CCC[C@H](F)C1 72992 [0,1,0,1,0,0|2,0,0]=4 542 B8R1.4 N[C@H]1CCC[C@H](N)C1 T70693 [0,1,0,1,0,0|2,0,0]=4 543 B8R1.4 N[C@H]1CCC[C@H](O)C1 P15600 [0,1,0,1,0,0|1,0,0]=3 544 B8R1.4 N[C@H]1CCC[C@H](O)C1 P17839 [0,1,0,1,0,0|1,0,0]=3 545 B8R1.4 O=C1C[C@@H](O)CCN1 68727 [0,1,0,1,0,0|2,0,0]=4 546 B8R1.4 O=C1C[C@@H](O)CCN1 68728 [0,1,0,1,0,0|2,0,0]=4 547 B8R1.4 O[C@H]1CCC[C@@H](O)C1 T71365 [0,1,0,1,0,0|1,0,0]=3 548 B8R1.4 O[C@H]1CCC[C@H](O)C1 T71051 [0,1,0,1,0,0|1,0,0]=3 549 B8R1.6 CCCC1CC(=O)C1 D96728 [0,1,0,1,0,0|2,0,0]=4 550 B8R1.6 CN1CC(CCN)C1 33440 [0,1,0,1,0,0|2,0,0]=4 551 B8R1.6 CN1CC(CCO)C1 37197 [0,1,0,1,0,0|1,0,0]=3 552 B8R1.6 COCC1CC(N)C1 P11795 [0,1,0,1,0,0|1,1,0]=4 553 B8R1.6 COCC1CC(N)C1 P18332 [0,1,0,1,0,0|1,1,0]=4 554 B8R1.6 COC[C@H]1C[C@H](N)C1 D79066 [0,1,0,1,0,0|1,1,0]=4 555 B8R1.6 OCCN1CC(F)C1 D79128 [0,1,0,1,0,0|2,0,0]=4 556 B8R1.7 CC(C)[C@@H]1CCCN1 P15226 [0,1,0,1,0,0|2,0,0]=4 557 B8R1.7 CC(C)[C@@H]1CCCN1 P15234 [0,1,0,1,0,0|2,0,0]=4 558 B8R1.7 CC(C)[C@H]1CCNC1 P15823 [0,1,0,1,0,0|2,0,0]=4 559 B8R1.7 CC(C)[C@H]1CCNC1 P17781 [0,1,0,1,0,0|2,0,0]=4 560 B8R1.7 C[C@H](N)C1CCCC1 66137 [0,1,0,1,0,0|2,0,0]=4 561 B8R1.7 C[C@H](N)C1CCCC1 83604 [0,1,0,1,0,0|2,0,0]=4 562 B8R1.7 FC(F)[C@H]1CCNC1 P19957 [0,1,0,1,0,0|2,0,0]=4 563 B8R1.7 FC(F)[C@H]1CCNC1 P19958 [0,1,0,1,0,0|2,0,0]=4 564 B8R1.7 N=C(N)[C@@H]1CCCO1 C75904 [0,1,0,1,0,0|2,0,0]=4 565 B8R1.7 O=C(Cl)[C@@H]1CCCO1 P19141 [0,1,0,1,0,0|2,0,0]=4 566 B8R1.7 O=C(O)[C@H]1CCNC1 65432 [0,1,0,1,0,0|1,0,1]=4 567 B8R1.7 O=C(O)[C@H]1CCNC1 P10866 [0,1,0,1,0,0|1,0,1]=4 568 B8R1.7 O=C(O)[C@H]1CCOC1 59930 [0,1,0,1,0,0|0,1,1]=4 569 B8R1.7 O=C(O)[C@H]1CCOC1 66517 [0,1,0,1,0,0|0,1,1]=4 570 B8R1.19 CC1(C)CCC[C@@H]1O D79630 [0,1,0,1,0,0|1,0,0]=3 571 B8R1.19 CC1(C)CCC[C@@H]1O D79631 [0,1,0,1,0,0|1,0,0]=3 572 B8R1.19 C[C@@H]1COC[C@]1(C)O 73229 [0,1,0,1,0,0|2,0,0]=4 573 B8R1.19 C[C@]1(O)CCC[C@@H]1N D79341 [0,1,0,1,0,0|2,0,0]=4 574 B8R1.27 CNC[C@H]1CC1(C)C F20110 [0,1,0,1,0,0|2,0,0]=4 575 B8R1.27 OCC[C@H]1CC1(F)F P12233 [0,1,0,1,0,0|2,0,0]=4 576 B8R1.31 CN1CC[C@H]1C(=O)O D79077 [0,1,0,1,0,0|1,0,1]=4 577 B8R1.31 CN1CC[C@H]1C(=O)O F50250 [0,1,0,1,0,0|1,0,1]=4 578 B8R1.31 CN1CC[C@H]1C(=O)O F50319 [0,1,0,1,0,0|1,0,1]=4 579 B8R1.34 CC(=O)CC1CCC1 D79207 [0,1,0,1,0,0|2,0,0]=4 580 B8R1.34 O=C(O)CC1CNC1 37024 [0,1,0,1,0,0|1,0,1]=4 581 B8R1.34 O=C(O)CC1COC1 66388 [0,1,0,1,0,0|0,1,1]=4 582 B8R1.72 CC1(Br)CCCCC1 P19508 [0,1,0,1,0,0|2,0,0]=4 583 B8R1.72 CC1(C)CNCCO1 20348 [0,1,0,1,0,0|2,0,0]=4 584 B8R1.72 CC1(O)CCOCC1 69121 [0,1,0,1,0,0|2,0,0]=4 585 B8R1.72 CC1(O)CCSCC1 C74963 [0,1,0,1,0,0|2,0,0]=4 586 B8R1.72 C[C@]1(O)CCCNC1 37167 [0,1,0,1,0,0|1,0,0]=3 587 B8R1.72 C[C@]1(O)CCCNC1 P18955 [0,1,0,1,0,0|1,0,0]=3 588 B8R1.72 C[C@]1(O)CCCNC1 Y10737 [0,1,0,1,0,0|1,0,0]=3 589 B8R1.37 COC[C@H](N)C1CC1 D87133 [0,1,0,1,0,0|1,1,0]=4 590 B8R1.66 COCC1(N)CCC1 C77610 [0,1,0,1,0,0|1,1,0]=4 591 B8R1.66 NC1(CCO)CCC1 F51938 [0,1,0,1,0,0|1,0,0]=3 592 B8R1.66 NC1(CCO)COC1 39014 [0,1,0,1,0,0|0,1,0]=3 593 B8R1.66 NC1(CCO)COC1 P19108 [0,1,0,1,0,0|0,1,0]=3 594 B8R1.66 NCCC1(O)COC1 D79127 [0,1,0,1,0,0|1,1,0]=4 595 B8R1.66 OCCC1(O)CCC1 F30304 [0,1,0,1,0,0|1,0,0]=3 596 B8R1.66 OCCC1(O)COC1 P18341 [0,1,0,1,0,0|0,1,0]=3 597 B8R2.11 N[C@@H]1[C@H]2COC[C@H]21 W12506 [0,0,0,2,0,0|1,1,0]=4 598 B8R2.22 C1CC2CNC2C1 D78832 [0,0,0,2,0,0|2,0,0]=4 599 B8R2.34 C1CC2CC1CN2 D73537 [0,0,0,2,0,0|2,0,0]=4 600 B8R2.34 C1CC2CC1CN2 P10332 [0,0,0,2,0,0|2,0,0]=4 601 B8R2.34 C1CC2CCC1C2 F16610 [0,0,0,2,0,0|2,0,0]=4 602 B8R2.34 C1CC2CCC1N2 39142 [0,0,0,2,0,0|2,0,0]=4 603 B8R2.34 C1OC2CNC1C2 CS1881 [0,0,0,2,0,0|2,0,0]=4 604 B8R2.34 C1OC2CNC1C2 SC1961 [0,0,0,2,0,0|2,0,0]=4 605 B8R2.34 C1O[C@@H]2CN[C@H]1C2 38911 [0,0,0,2,0,0|2,0,0]=4 606 B8R2.34 C1O[C@@H]2CN[C@H]1C2 P12383 [0,0,0,2,0,0|2,0,0]=4 607 B8R2.34 C1O[C@@H]2CN[C@H]1C2 P14495 [0,0,0,2,0,0|2,0,0]=4 608 B8R2.55 C1CC2(CC2)CN1 80452 [0,0,0,2,0,0|2,0,0]=4 609 B8R2.55 C1CC2(CC2)CN1 P11718 [0,0,0,2,0,0|2,0,0]=4 610 B8R2.55 C1CNC2(C1)CC2 AT12544 [0,0,0,2,0,0|2,0,0]=4 611 B8R2.23 C1NCC2CC1N2 F18876 [0,0,0,2,0,0|2,0,0]=4 612 B8R2.25 C1CNC2CC2C1 70876 [0,0,0,2,0,0|2,0,0]=4 613 B8R2.38 O=C1CCC2OC12 60057 [0,0,0,2,0,0|2,0,0]=4 614 B8R2.42 C1CC2(C1)CCN2 38572 [0,0,0,2,0,0|2,0,0]=4 615 B8R2.42 C1CC2(C1)CCN2 83734 [0,0,0,2,0,0|2,0,0]=4 616 B8R2.42 C1CC2(C1)CNC2 54112 [0,0,0,2,0,0|2,0,0]=4 617 B8R2.42 C1CC2(C1)CNC2 P11104 [0,0,0,2,0,0|2,0,0]=4 618 B8R2.42 C1CC2(CNC2)O1 32913 [0,0,0,2,0,0|1,0,0]=3 619 B8R2.42 C1CC2(CNC2)O1 38563 [0,0,0,2,0,0|1,0,0]=3 620 B8R2.42 C1CC2(COC2)N1 38573 [0,0,0,2,0,0|1,1,0]=4 621 B8R2.42 C1NCC12CSC2 38332 [0,0,0,2,0,0|2,0,0]=4 622 B8R2.42 C1NCC12CSC2 P12112 [0,0,0,2,0,0|2,0,0]=4 623 B8R2.19 O[C@H]1CCC12CC2 D96738 [0,0,0,2,0,0|1,0,0]=3