0 B7R0.1 C=CCCCCNC R10008 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.1 CCCNCCCO AB4057 [0,0,0,0,0,0|1,0,0]=1 2 B7R0.1 CNCCOCCO C70229 [0,0,0,0,0,0|2,0,0]=2 3 B7R0.1 COCCOCCI AT13077 [0,0,0,0,0,0|3,0,0]=3 4 B7R0.1 COCOCCC=O 32199 [0,0,0,0,0,0|2,0,2]=4 5 B7R0.1 FCCCCCCBr A50948 [0,0,0,0,0,0|2,0,0]=2 6 B7R0.1 N#CCCNCCO D94844 [0,0,0,0,0,0|2,0,1]=3 7 B7R0.1 N#CCCOCCO Y11313 [0,0,0,0,0,0|2,0,1]=3 8 B7R0.1 NCCCCCCBr D83295 [0,0,0,0,0,0|2,0,0]=2 9 B7R0.1 NCCCCCCS F31196 [0,0,0,0,0,0|1,1,0]=2 10 B7R0.1 NCCCNCCS W12623 [0,0,0,0,0,0|2,1,0]=3 11 B7R0.1 NCCCOCCO W11222 [0,0,0,0,0,0|2,0,0]=2 12 B6R0.6 BrCCNCCBr 35649 [1,0,0,0,0,0|3,0,0]=4 13 B6R0.6 C#CCCCCI C74272 [1,0,0,0,0,0|1,0,2]=4 14 B6R0.6 C#CCCCCN 79352 [1,0,0,0,0,0|1,0,2]=4 15 B6R0.6 C=CCNCCO W12833 [1,0,0,0,0,0|1,0,2]=4 16 B6R0.6 CC#CCCCO W16152 [1,0,0,0,0,0|0,0,2]=3 17 B6R0.6 CCOCCCBr A11082 [1,0,0,0,0,0|2,0,0]=3 18 B6R0.6 CCOCCON W15834 [1,0,0,0,0,0|3,0,0]=4 19 B6R0.6 CC\C=C/CCI 98107 [1,0,0,0,0,0|1,0,2]=4 20 B6R0.6 CNCC#CCO 68302 [1,0,0,0,0,0|1,0,2]=4 21 B6R0.6 CNCCCCBr C74879 [1,0,0,0,0,0|2,0,0]=3 22 B6R0.6 CNCCCCN D80538 [1,0,0,0,0,0|2,0,0]=3 23 B6R0.6 ClCCOCCI 12079 [1,0,0,0,0,0|3,0,0]=4 24 B6R0.6 N#CCCCCBr D77353 [1,0,0,0,0,0|2,0,1]=4 25 B6R0.6 NCCCCCBr 97997 [1,0,0,0,0,0|2,0,0]=3 26 B6R0.6 NCCNCCN D81398 [1,0,0,0,0,0|3,0,0]=4 27 B6R0.6 O=NCNCCO D93315 [1,0,0,0,0,0|3,0,0]=4 28 B6R0.6 OCCCCCO D77911 [1,0,0,0,0,0|1,0,0]=2 29 B6R0.6 OCCOCCF AT25497 [1,0,0,0,0,0|2,0,0]=3 30 B8R0.1 C#CCCC(=O)CCO N11427 [0,1,0,0,0,0|0,0,3]=4 31 B8R0.1 CCCC(=O)OCCO D81566 [0,1,0,0,0,0|1,0,1]=3 32 B8R0.1 CCCC[C@H](C)CCO D93301 [0,1,0,0,0,0|0,0,0]=1 33 B8R0.1 CCC[C@H](C)CCCO A12859 [0,1,0,0,0,0|0,0,0]=1 34 B8R0.1 CCOC(=O)CCCO C91677 [0,1,0,0,0,0|1,0,1]=3 35 B8R0.1 COCCN(C)CCO F18234 [0,1,0,0,0,0|2,0,0]=3 36 B8R0.4 C=CCCCCCC=O N11873 [0,1,0,0,0,0|0,0,3]=4 37 B8R0.4 C=CCCCCCCI W11175 [0,1,0,0,0,0|1,0,1]=3 38 B8R0.4 COCCCCCCBr S10679 [0,1,0,0,0,0|1,0,0]=2 39 B8R0.4 COCCOCCOC D72523 [0,1,0,0,0,0|2,0,0]=3 40 B8R0.4 COCOCOCOC 75318 [0,1,0,0,0,0|3,0,0]=4 41 B8R0.4 ClCCCOCCCCl FD13137 [0,1,0,0,0,0|2,0,0]=3 42 B8R0.4 NCCCOCCCO D84663 [0,1,0,0,0,0|1,0,0]=2 43 B8R0.4 OCCCOCCCO AT19326 [0,1,0,0,0,0|1,0,0]=2 44 B8R0.6 CCCCCC(=O)CBr C73149 [0,1,0,0,0,0|1,0,1]=3 45 B8R0.6 COC(=O)COCCO D84694 [0,1,0,0,0,0|2,0,1]=4 46 B8R0.7 CN(C)CCCCCN AC2504 [0,1,0,0,0,0|2,0,0]=3 47 B8R0.7 CN(C)CCOCCO D77714 [0,1,0,0,0,0|2,0,0]=3 48 B8R0.7 COCCNCC(=O)O W16095 [0,1,0,0,0,0|2,0,1]=4 49 B8R0.7 NCCCCCC(=O)O P19609 [0,1,0,0,0,0|1,0,1]=3 50 B8R0.7 NCCCCCC(N)=O AC6029 [0,1,0,0,0,0|1,0,2]=4 51 B8R0.7 NCCCCOC(F)F 89966 [0,1,0,0,0,0|3,0,0]=4 52 B8R0.7 O=C([O-])CCCCCO Y14708 [0,1,0,0,0,0|1,0,1]=3 53 B8R1.2 BrCC1=CCCCC1 37274 [0,0,0,1,0,0|1,0,2]=4 54 B8R1.2 BrC[C@H]1CCCNC1 AC3913 [0,0,0,1,0,0|2,0,0]=3 55 B8R1.2 BrC[C@H]1CCCOC1 38662 [0,0,0,1,0,0|2,0,0]=3 56 B8R1.2 C#CC1CCNCC1 P12507 [0,0,0,1,0,0|2,0,1]=4 57 B8R1.2 C#CC1CCOCC1 37550 [0,0,0,1,0,0|2,0,1]=4 58 B8R1.2 C#C[C@@H]1CCCCN1 CS2055 [0,0,0,1,0,0|1,0,2]=4 59 B8R1.2 C#C[C@H]1CCCNC1 P11150 [0,0,0,1,0,0|2,0,1]=4 60 B8R1.2 C#C[C@H]1CCCNC1 P11485 [0,0,0,1,0,0|2,0,1]=4 61 B8R1.2 CCC1CCNCC1 W10090 [0,0,0,1,0,0|2,0,0]=3 62 B8R1.2 CC[C@H]1CCCCN1 Y10457 [0,0,0,1,0,0|1,0,0]=2 63 B8R1.2 CC[C@H]1CNCCN1 28366 [0,0,0,1,0,0|2,0,0]=3 64 B8R1.2 CC[C@H]1CNCCN1 I11833 [0,0,0,1,0,0|2,0,0]=3 65 B8R1.2 CC[C@H]1COCCN1 F17630 [0,0,0,1,0,0|2,0,0]=3 66 B8R1.2 CC[C@H]1COCCN1 FD6008 [0,0,0,1,0,0|2,0,0]=3 67 B8R1.2 CNC1CCNCC1 Y10435 [0,0,0,1,0,0|3,0,0]=4 68 B8R1.2 CNC1CCSCC1 D93432 [0,0,0,1,0,0|3,0,0]=4 69 B8R1.2 COC1=NCCCC1 D87703 [0,0,0,1,0,0|2,0,1]=4 70 B8R1.2 ClCC1CCNCC1 P17439 [0,0,0,1,0,0|2,0,0]=3 71 B8R1.2 ClCC1CCOCC1 C77585 [0,0,0,1,0,0|2,0,0]=3 72 B8R1.2 ClC[C@H]1CCCCN1 87776 [0,0,0,1,0,0|2,0,0]=3 73 B8R1.2 FCC1CCNCC1 F10330 [0,0,0,1,0,0|2,0,0]=3 74 B8R1.2 FC[C@H]1CCCNC1 24250 [0,0,0,1,0,0|2,0,0]=3 75 B8R1.2 ICC1CCCCC1 AC1131 [0,0,0,1,0,0|1,0,0]=2 76 B8R1.2 IC[C@H]1CCCCO1 P19885 [0,0,0,1,0,0|1,0,0]=2 77 B8R1.2 IC[C@H]1CCCOC1 P20725 [0,0,0,1,0,0|2,0,0]=3 78 B8R1.2 N#CC1CCSCC1 29706 [0,0,0,1,0,0|2,0,1]=4 79 B8R1.2 N#CN1CCCCC1 A12086 [0,0,0,1,0,0|2,0,1]=4 80 B8R1.2 N#C[C@@H]1CCCCN1 CS1001 [0,0,0,1,0,0|2,0,1]=4 81 B8R1.2 N#C[C@@H]1CCCCN1 P16178 [0,0,0,1,0,0|2,0,1]=4 82 B8R1.2 N#C[C@@H]1CCCCN1 P17459 [0,0,0,1,0,0|2,0,1]=4 83 B8R1.2 N#C[C@@H]1CCCCN1 P17460 [0,0,0,1,0,0|2,0,1]=4 84 B8R1.2 N#C[C@@H]1CCCCO1 W16123 [0,0,0,1,0,0|1,0,1]=3 85 B8R1.2 N#C[C@@H]1CNCCO1 90459 [0,0,0,1,0,0|2,0,1]=4 86 B8R1.2 N#C[C@@H]1CNCCO1 F18970 [0,0,0,1,0,0|2,0,1]=4 87 B8R1.2 N#C[C@@H]1CNCCO1 F18991 [0,0,0,1,0,0|2,0,1]=4 88 B8R1.2 N#C[C@H]1CCCNC1 81492 [0,0,0,1,0,0|2,0,1]=4 89 B8R1.2 N#C[C@H]1CCCNC1 81537 [0,0,0,1,0,0|2,0,1]=4 90 B8R1.2 N#C[C@H]1CCCNC1 P11046 [0,0,0,1,0,0|2,0,1]=4 91 B8R1.2 N#C[C@H]1CCCNC1 P18961 [0,0,0,1,0,0|2,0,1]=4 92 B8R1.2 NCC1CCSCC1 P11855 [0,0,0,1,0,0|2,0,0]=3 93 B8R1.2 NCC1CCSCC1 P17457 [0,0,0,1,0,0|2,0,0]=3 94 B8R1.2 NC[C@H]1CCCOC1 SC1491 [0,0,0,1,0,0|2,0,0]=3 95 B8R1.2 NC[C@H]1COCCO1 39092 [0,0,0,1,0,0|2,0,0]=3 96 B8R1.2 NC[C@H]1COCCO1 39093 [0,0,0,1,0,0|2,0,0]=3 97 B8R1.2 NNC1CCNCC1 BL010349 [0,0,0,1,0,0|3,0,0]=4 98 B8R1.2 NNC1CCOCC1 F51905 [0,0,0,1,0,0|3,0,0]=4 99 B8R1.2 NNC1CCSCC1 BL010348 [0,0,0,1,0,0|3,0,0]=4 100 B8R1.2 NN[C@H]1CCCOC1 P17922 [0,0,0,1,0,0|3,0,0]=4 101 B8R1.2 O=CN1CCCCC1 D77795 [0,0,0,1,0,0|1,0,2]=4 102 B8R1.2 O=C[C@@H]1CCCCN1 62054 [0,0,0,1,0,0|1,0,2]=4 103 B8R1.2 O=C[C@@H]1CCCCO1 79885 [0,0,0,1,0,0|1,0,1]=3 104 B8R1.2 O=C[C@@H]1COCCO1 D78647 [0,0,0,1,0,0|2,0,1]=4 105 B8R1.2 O=C[C@H]1CCCOC1 79874 [0,0,0,1,0,0|1,0,2]=4 106 B8R1.2 OC[C@H]1CCCNC1 36372 [0,0,0,1,0,0|1,0,0]=2 107 B8R1.2 OC[C@H]1CCCNC1 F14592 [0,0,0,1,0,0|1,0,0]=2 108 B8R1.2 OC[C@H]1CCCNC1 H10949 [0,0,0,1,0,0|1,0,0]=2 109 B8R1.2 OC[C@H]1CCCOC1 38674 [0,0,0,1,0,0|1,0,0]=2 110 B8R1.2 OC[C@H]1CNCCN1 C14871 [0,0,0,1,0,0|2,0,0]=3 111 B8R1.2 OC[C@H]1CNCCN1 I11571 [0,0,0,1,0,0|2,0,0]=3 112 B8R1.2 OC[C@H]1CNCCO1 25692 [0,0,0,1,0,0|2,0,0]=3 113 B8R1.2 OC[C@H]1CNCCO1 SC3851 [0,0,0,1,0,0|2,0,0]=3 114 B8R1.2 OC[C@H]1COCCN1 25689 [0,0,0,1,0,0|2,0,0]=3 115 B8R1.2 OC[C@H]1COCCN1 26203 [0,0,0,1,0,0|2,0,0]=3 116 B8R1.2 OC[C@H]1COCCN1 P15853 [0,0,0,1,0,0|2,0,0]=3 117 B8R1.2 OC[C@H]1COCCO1 Y10090 [0,0,0,1,0,0|2,0,0]=3 118 B8R1.2 OC[C@H]1COCCO1 Y10091 [0,0,0,1,0,0|2,0,0]=3 119 B8R1.2 [C-]#[N+]C1CCOCC1 AC9405 [0,0,0,1,0,0|3,0,0]=4 120 B8R1.5 C=C1CCCC[C@@H]1O D94315 [0,0,0,1,0,0|0,0,2]=3 121 B8R1.5 CC1CCNCC1O 38882 [0,0,0,1,0,0|1,0,0]=2 122 B8R1.5 CC1CNCCC1O 20765 [0,0,0,1,0,0|1,0,0]=2 123 B8R1.5 CC1CNCCC1O 33365 [0,0,0,1,0,0|1,0,0]=2 124 B8R1.5 CC1COCCC1N 33469 [0,0,0,1,0,0|2,0,0]=3 125 B8R1.5 CC1NCCOC1C F12405 [0,0,0,1,0,0|3,0,0]=4 126 B8R1.5 C[C@@H]1CCCC[C@@H]1N Y10408 [0,0,0,1,0,0|1,0,0]=2 127 B8R1.5 C[C@@H]1CCCC[C@@H]1N Y10409 [0,0,0,1,0,0|1,0,0]=2 128 B8R1.5 C[C@@H]1COCC[C@@H]1N P14106 [0,0,0,1,0,0|2,0,0]=3 129 B8R1.5 C[C@H]1CCCCC1=O D77719 [0,0,0,1,0,0|0,0,2]=3 130 B8R1.5 C[C@H]1CCCN[C@H]1C P18680 [0,0,0,1,0,0|2,0,0]=3 131 B8R1.5 C[C@H]1CCCOC1=O AB4082 [0,0,0,1,0,0|1,0,2]=4 132 B8R1.5 C[C@H]1CCNC[C@@H]1O 38883 [0,0,0,1,0,0|1,0,0]=2 133 B8R1.5 C[C@H]1CNCCN1C 37822 [0,0,0,1,0,0|3,0,0]=4 134 B8R1.5 C[C@H]1CNCCN1C P11245 [0,0,0,1,0,0|3,0,0]=4 135 B8R1.5 C[C@H]1CNCCN1C Y10614 [0,0,0,1,0,0|3,0,0]=4 136 B8R1.5 C[C@H]1CNCC[C@@H]1O P15603 [0,0,0,1,0,0|1,0,0]=2 137 B8R1.5 C[C@H]1COCCC1=O 27832 [0,0,0,1,0,0|1,0,2]=4 138 B8R1.5 C[C@H]1COCC[C@@H]1N P15602 [0,0,0,1,0,0|2,0,0]=3 139 B8R1.5 C[C@H]1CSCCC1=O 70869 [0,0,0,1,0,0|1,0,2]=4 140 B8R1.5 NC1CCOCC1O P16839 [0,0,0,1,0,0|2,0,0]=3 141 B8R1.5 N[C@@H]1CCOC[C@@H]1F P14573 [0,0,0,1,0,0|3,0,0]=4 142 B8R1.5 N[C@@H]1CCOC[C@@H]1O P14531 [0,0,0,1,0,0|2,0,0]=3 143 B8R1.5 N[C@@H]1CCOC[C@@H]1O P19745 [0,0,0,1,0,0|2,0,0]=3 144 B8R1.5 N[C@@H]1COCC[C@@H]1O P16186 [0,0,0,1,0,0|2,0,0]=3 145 B8R1.5 N[C@H]1CCCCC1=O C16242 [0,0,0,1,0,0|1,0,2]=4 146 B8R1.5 N[C@H]1CCCC[C@@H]1F 72976 [0,0,0,1,0,0|2,0,0]=3 147 B8R1.5 N[C@H]1CCCC[C@@H]1F D79011 [0,0,0,1,0,0|2,0,0]=3 148 B8R1.5 N[C@H]1CCCC[C@@H]1F P18297 [0,0,0,1,0,0|2,0,0]=3 149 B8R1.5 N[C@H]1CCCC[C@@H]1N 47900 [0,0,0,1,0,0|2,0,0]=3 150 B8R1.5 N[C@H]1CCCC[C@H]1N A11421 [0,0,0,1,0,0|2,0,0]=3 151 B8R1.5 N[C@H]1CCOC[C@@H]1F P14548 [0,0,0,1,0,0|3,0,0]=4 152 B8R1.5 N[C@H]1CCOC[C@@H]1F P14593 [0,0,0,1,0,0|3,0,0]=4 153 B8R1.5 N[C@H]1CCOC[C@@H]1O 38664 [0,0,0,1,0,0|2,0,0]=3 154 B8R1.5 N[C@H]1CCOC[C@@H]1O 39432 [0,0,0,1,0,0|2,0,0]=3 155 B8R1.5 N[C@H]1CCOC[C@@H]1O 39433 [0,0,0,1,0,0|2,0,0]=3 156 B8R1.5 N[C@H]1COCC[C@@H]1F P21120 [0,0,0,1,0,0|3,0,0]=4 157 B8R1.5 N[C@H]1COCC[C@@H]1O P14664 [0,0,0,1,0,0|2,0,0]=3 158 B8R1.5 O=C1NCCC[C@@H]1O 27231 [0,0,0,1,0,0|2,0,1]=4 159 B8R1.5 O=C1OCCC[C@@H]1O 27422 [0,0,0,1,0,0|2,0,1]=4 160 B8R1.5 OC1CCOCC1F P14713 [0,0,0,1,0,0|2,0,0]=3 161 B8R1.5 O[C@@H]1CCNC[C@@H]1F 37699 [0,0,0,1,0,0|2,0,0]=3 162 B8R1.5 O[C@@H]1CCNC[C@@H]1F 39257 [0,0,0,1,0,0|2,0,0]=3 163 B8R1.5 O[C@@H]1CCNC[C@@H]1F P15698 [0,0,0,1,0,0|2,0,0]=3 164 B8R1.5 O[C@H]1CCCC[C@@H]1O C14127 [0,0,0,1,0,0|1,0,0]=2 165 B8R1.5 O[C@H]1CCNC[C@@H]1F 37698 [0,0,0,1,0,0|2,0,0]=3 166 B8R1.5 O[C@H]1CCNC[C@@H]1F P13776 [0,0,0,1,0,0|2,0,0]=3 167 B8R1.5 O[C@H]1CCNC[C@@H]1O P10847 [0,0,0,1,0,0|2,0,0]=3 168 B8R1.5 O[C@H]1CCNC[C@@H]1O P17759 [0,0,0,1,0,0|2,0,0]=3 169 B8R1.5 O[C@H]1CNCC[C@@H]1F P14517 [0,0,0,1,0,0|2,0,0]=3 170 B8R1.5 O[C@H]1CNCC[C@H]1O P15637 [0,0,0,1,0,0|2,0,0]=3 171 B8R1.5 O[C@H]1CSSC[C@@H]1O D82089 [0,0,0,1,0,0|3,0,0]=4 172 B8R1.8 BrCCC1CCCC1 C78009 [0,0,0,1,0,0|1,0,0]=2 173 B8R1.8 C#CCN1CCCC1 98376 [0,0,0,1,0,0|2,0,1]=4 174 B8R1.8 C#CCN1CCCC1 W15840 [0,0,0,1,0,0|2,0,1]=4 175 B8R1.8 C=CC[C@H]1CCCN1 N16954 [0,0,0,1,0,0|1,0,2]=4 176 B8R1.8 CCN[C@H]1CCNC1 T72394 [0,0,0,1,0,0|3,0,0]=4 177 B8R1.8 CCN[C@H]1CCOC1 F14260 [0,0,0,1,0,0|3,0,0]=4 178 B8R1.8 CCO[C@H]1CCNC1 P10149 [0,0,0,1,0,0|3,0,0]=4 179 B8R1.8 CNC[C@H]1CCCN1 P18036 [0,0,0,1,0,0|2,0,0]=3 180 B8R1.8 COC[C@H]1CCCN1 11152 [0,0,0,1,0,0|2,0,0]=3 181 B8R1.8 COC[C@H]1CCCN1 11153 [0,0,0,1,0,0|2,0,0]=3 182 B8R1.8 COC[C@H]1CCCN1 71289 [0,0,0,1,0,0|2,0,0]=3 183 B8R1.8 COC[C@H]1CCNC1 72010 [0,0,0,1,0,0|3,0,0]=4 184 B8R1.8 COC[C@H]1CCNC1 P10622 [0,0,0,1,0,0|3,0,0]=4 185 B8R1.8 COC[C@H]1CCNC1 P12588 [0,0,0,1,0,0|3,0,0]=4 186 B8R1.8 COC[C@H]1CCNC1 P15249 [0,0,0,1,0,0|3,0,0]=4 187 B8R1.8 COC[C@H]1CCNC1 P15255 [0,0,0,1,0,0|3,0,0]=4 188 B8R1.8 ClCCC1CCCC1 AC1057 [0,0,0,1,0,0|1,0,0]=2 189 B8R1.8 NCCC1OCCO1 T71082 [0,0,0,1,0,0|2,0,0]=3 190 B8R1.8 NNCC1CCCC1 P11240 [0,0,0,1,0,0|2,0,0]=3 191 B8R1.8 O=CCC1CCCC1 F11683 [0,0,0,1,0,0|0,0,2]=3 192 B8R1.8 OCCC1OCCO1 W16263 [0,0,0,1,0,0|2,0,0]=3 193 B8R1.8 OCC[C@H]1CCCN1 50275 [0,0,0,1,0,0|1,0,0]=2 194 B8R1.8 OCC[C@H]1CCCN1 62964 [0,0,0,1,0,0|1,0,0]=2 195 B8R1.10 CCOCC1CNC1 D84845 [0,0,0,1,0,0|3,0,0]=4 196 B8R1.10 OCCCC1COC1 89590 [0,0,0,1,0,0|1,0,0]=2 197 B8R1.10 OCCCN1CCC1 70850 [0,0,0,1,0,0|1,0,0]=2 198 B8R1.11 C#CC1CCCC1O 30575 [0,0,0,1,0,0|0,0,2]=3 199 B8R1.11 CN1CCC[C@@H]1CBr N13118 [0,0,0,1,0,0|2,0,0]=3 200 B8R1.11 CN1CCC[C@@H]1CCl D83790 [0,0,0,1,0,0|2,0,0]=3 201 B8R1.11 CN1CCC[C@@H]1CN 39178 [0,0,0,1,0,0|2,0,0]=3 202 B8R1.11 CN[C@@H]1CCC[C@@H]1O D96687 [0,0,0,1,0,0|1,0,0]=2 203 B8R1.11 CN[C@@H]1CCC[C@@H]1O D97032 [0,0,0,1,0,0|1,0,0]=2 204 B8R1.11 CN[C@H]1CCC[C@@H]1O D97028 [0,0,0,1,0,0|1,0,0]=2 205 B8R1.11 CO[C@H]1CNC[C@@H]1F 38828 [0,0,0,1,0,0|3,0,0]=4 206 B8R1.11 CO[C@H]1CNC[C@@H]1O 38826 [0,0,0,1,0,0|2,0,0]=3 207 B8R1.11 CO[C@H]1CNC[C@@H]1O P14110 [0,0,0,1,0,0|2,0,0]=3 208 B8R1.11 CO[C@H]1CNC[C@H]1O P17936 [0,0,0,1,0,0|2,0,0]=3 209 B8R1.11 C[C@H]1CNC[C@@H]1CO C77269 [0,0,0,1,0,0|1,0,0]=2 210 B8R1.11 NCC1CCCC1N F20645 [0,0,0,1,0,0|2,0,0]=3 211 B8R1.11 NC[C@@H]1COC[C@@H]1O P14613 [0,0,0,1,0,0|2,0,0]=3 212 B8R1.11 NC[C@H]1CCCC1=O 33703 [0,0,0,1,0,0|1,0,2]=4 213 B8R1.11 NC[C@H]1COC[C@@H]1O P14625 [0,0,0,1,0,0|2,0,0]=3 214 B8R1.11 O=C1CCC[C@@H]1CO C73905 [0,0,0,1,0,0|1,0,1]=3 215 B8R1.11 O=C1NCC[C@@H]1CO P12214 [0,0,0,1,0,0|2,0,1]=4 216 B8R1.11 OCC1CNCC1O 73097 [0,0,0,1,0,0|2,0,0]=3 217 B8R1.12 OC[C@H]1CC[C@H]1CO W19717 [0,0,0,1,0,0|1,0,0]=2 218 B8R1.22 BrC1CCCCCC1 F53566 [0,0,0,1,0,0|1,0,0]=2 219 B8R1.22 CC1CNCCNC1 70848 [0,0,0,1,0,0|3,0,0]=4 220 B8R1.22 C[C@H]1CCCCCN1 D79537 [0,0,0,1,0,0|1,0,0]=2 221 B8R1.22 C[C@H]1CCCCCN1 D79538 [0,0,0,1,0,0|1,0,0]=2 222 B8R1.22 C[C@H]1CCCCCN1 W10101 [0,0,0,1,0,0|1,0,0]=2 223 B8R1.22 C[C@H]1CCCCNC1 72971 [0,0,0,1,0,0|2,0,0]=3 224 B8R1.22 C[C@H]1CCNCCN1 70847 [0,0,0,1,0,0|2,0,0]=3 225 B8R1.22 C[C@H]1CNCCCO1 72856 [0,0,0,1,0,0|1,0,0]=2 226 B8R1.22 C[C@H]1CNCCOC1 73160 [0,0,0,1,0,0|3,0,0]=4 227 B8R1.22 NC1=NCCCCC1 D85903 [0,0,0,1,0,0|2,0,1]=4 228 B8R1.22 N[C@H]1CCCNCC1 36658 [0,0,0,1,0,0|2,0,0]=3 229 B8R1.22 N[C@H]1CNCCOC1 P20272 [0,0,0,1,0,0|3,0,0]=4 230 B8R1.22 O=C1CCCCCN1 D94502 [0,0,0,1,0,0|1,0,2]=4 231 B8R1.22 O=C1CCCCNC1 50109 [0,0,0,1,0,0|1,0,2]=4 232 B8R1.22 O=C1CCCOCC1 P12770 [0,0,0,1,0,0|1,0,2]=4 233 B8R1.22 O=C1OCCCCO1 D93115 [0,0,0,1,0,0|2,0,1]=4 234 B8R1.22 OC1CNCCNC1 77717 [0,0,0,1,0,0|2,0,0]=3 235 B8R1.36 NCCNCC1CC1 P18278 [0,0,0,1,0,0|2,0,0]=3 236 B8R1.36 OCCCC[C@H]1CO1 F52608 [0,0,0,1,0,0|1,0,0]=2 237 B8R1.36 OCCNCC1CC1 AC1354 [0,0,0,1,0,0|1,0,0]=2 238 B5R0.2 CCCCON 31644 [2,0,0,0,0,0|2,0,0]=4 239 B5R0.2 COCCCO D77912 [2,0,0,0,0,0|1,0,0]=3 240 B5R0.2 NCCCCCl F19552 [2,0,0,0,0,0|2,0,0]=4 241 B5R0.2 NNCCCO AB9423 [2,0,0,0,0,0|2,0,0]=4 242 B5R0.2 O=CCCCO 55817 [2,0,0,0,0,0|1,0,1]=4 243 B7R0.3 CCC(=O)OCCO A11774 [1,1,0,0,0,0|1,0,1]=4 244 B7R0.4 CC(=O)CCCCBr O11558 [1,1,0,0,0,0|1,0,1]=4 245 B7R0.4 CC(C)CCCCBr C74820 [1,1,0,0,0,0|1,0,0]=3 246 B7R0.4 CCCNCC(C)C AC1640 [1,1,0,0,0,0|1,0,0]=3 247 B7R0.4 CCCOCC(=O)O AC1647 [1,1,0,0,0,0|1,0,1]=4 248 B7R0.4 CN(C)CCCCCl W16936 [1,1,0,0,0,0|2,0,0]=4 249 B7R0.4 COCCCC(=O)O 78063 [1,1,0,0,0,0|1,0,1]=4 250 B7R0.4 C[C@H](Cl)CCCCCl A12620 [1,1,0,0,0,0|1,0,0]=3 251 B7R0.7 CCC[C@H](Br)CCBr D94373 [1,1,0,0,0,0|1,0,0]=3 252 B7R0.7 CCC[C@H](N)CCO AT20461 [1,1,0,0,0,0|0,0,0]=2 253 B7R0.7 CCC[C@H](N)CCO I11080 [1,1,0,0,0,0|0,0,0]=2 254 B7R0.7 CCC[C@H](N)CCO N12794 [1,1,0,0,0,0|0,0,0]=2 255 B7R0.7 CN(CCO)CCO A10780 [1,1,0,0,0,0|2,0,0]=4 256 B7R0.7 COC[C@@H](N)CCO AT12992 [1,1,0,0,0,0|1,0,0]=3 257 B9R0.4 CSCC[C@H](N)CC(=O)O F12355 [0,2,0,0,0,0|1,0,1]=4 258 B9R0.4 CSCC[C@H](N)CC(=O)O FD10029 [0,2,0,0,0,0|1,0,1]=4 259 B9R0.4 CSCC[C@H](N)CC(=O)O FD10030 [0,2,0,0,0,0|1,0,1]=4 260 B9R0.5 CCCCC[C@H](O)CCO A10789 [0,2,0,0,0,0|0,0,0]=2 261 B9R0.5 CCOC(=O)CCCCN 23836 [0,2,0,0,0,0|1,0,1]=4 262 B9R0.18 CCCOC(C)OCCC D93053 [0,2,0,0,0,0|2,0,0]=4 263 B9R0.2 C#CCCCCCC(=O)O AT11953 [0,2,0,0,0,0|0,0,2]=4 264 B9R0.2 C=CCCCCCC(=O)O I11997 [0,2,0,0,0,0|0,0,2]=4 265 B9R0.2 CCCCCCCC(=O)[O-] F12023 [0,2,0,0,0,0|0,0,1]=3 266 B9R0.2 CCC\C=C/CCC(=O)O E70288 [0,2,0,0,0,0|0,0,2]=4 267 B9R0.2 COCCOCCC(=O)O C70448 [0,2,0,0,0,0|1,0,1]=4 268 B9R0.2 O=C(O)CNCCCCO 72467 [0,2,0,0,0,0|1,0,1]=4 269 B9R0.45 BrCCOCCOCCBr S10638 [0,2,0,0,0,0|2,0,0]=4 270 B9R0.45 CCCCOCCCCO S11917 [0,2,0,0,0,0|0,0,0]=2 271 B9R0.45 CCCOCCOCCO D97202 [0,2,0,0,0,0|0,0,0]=2 272 B9R0.45 OCCOCCOCCBr S10706 [0,2,0,0,0,0|1,0,0]=3 273 B9R0.45 [N-]=[N+]=NCCCCCCN 52800 [0,2,0,0,0,0|2,0,0]=4 274 B9R0.46 CCCCCC[C@H](O)CBr D93070 [0,2,0,0,0,0|0,0,0]=2 275 B9R0.46 CCNCCCC(=O)OC 72977 [0,2,0,0,0,0|1,0,1]=4 276 B9R0.1 CC(C)CCC[C@H](C)CO A11755 [0,2,0,0,0,0|0,0,0]=2 277 B9R0.24 CCC(C)CCC(C)CO D93170 [0,2,0,0,0,0|0,0,0]=2 278 B9R0.24 CCC(O)CCC(O)CC D86710 [0,2,0,0,0,0|1,0,0]=3 279 B9R0.24 CC[C@H](O)CC[C@@H](O)CC 55799 [0,2,0,0,0,0|1,0,0]=3 280 B9R0.24 COC(C)COC(C)CO D81108 [0,2,0,0,0,0|2,0,0]=4 281 B9R0.47 CCCCC[C@H](N)C(=O)O C10639 [0,2,0,0,0,0|0,0,1]=3 282 B9R0.47 CCCCC[C@H](N)C(=O)O C75217 [0,2,0,0,0,0|0,0,1]=3 283 B9R0.47 CCSCC[C@H](N)C(=O)O A12005 [0,2,0,0,0,0|1,0,1]=4 284 B9R0.47 NCCCC[C@H](N)C(=O)O F10821 [0,2,0,0,0,0|1,0,1]=4 285 B9R0.38 NCCCCCS(=O)(=O)O D93036 [0,2,0,0,0,0|2,0,0]=4 286 B9R0.55 CC(C)CCCCC(=O)O D95053 [0,2,0,0,0,0|0,0,1]=3 287 B7R1.1 BrC[C@H]1CCOC1 84096 [1,0,0,1,0,0|2,0,0]=4 288 B7R1.1 C=CC1CCCC1 T72385 [1,0,0,1,0,0|0,0,2]=4 289 B7R1.1 CC[C@H]1CCCN1 F16886 [1,0,0,1,0,0|1,0,0]=3 290 B7R1.1 CC[C@H]1CCNC1 P14869 [1,0,0,1,0,0|1,0,0]=3 291 B7R1.1 CN[C@H]1CCOC1 P18534 [1,0,0,1,0,0|2,0,0]=4 292 B7R1.1 CN[C@H]1CCOC1 P18535 [1,0,0,1,0,0|2,0,0]=4 293 B7R1.1 CO[C@H]1CCNC1 26935 [1,0,0,1,0,0|2,0,0]=4 294 B7R1.1 CO[C@H]1CCNC1 P10862 [1,0,0,1,0,0|2,0,0]=4 295 B7R1.1 FC[C@H]1CCCN1 37688 [1,0,0,1,0,0|2,0,0]=4 296 B7R1.1 FC[C@H]1CCCN1 P11073 [1,0,0,1,0,0|2,0,0]=4 297 B7R1.1 FC[C@H]1CCNC1 P18731 [1,0,0,1,0,0|2,0,0]=4 298 B7R1.1 N#C[C@@H]1CCCO1 31513 [1,0,0,1,0,0|1,0,1]=4 299 B7R1.1 NCC1CCCC1 P10292 [1,0,0,1,0,0|1,0,0]=3 300 B7R1.1 NC[C@H]1CCCN1 83159 [1,0,0,1,0,0|2,0,0]=4 301 B7R1.1 NC[C@H]1CCCO1 83007 [1,0,0,1,0,0|1,0,0]=3 302 B7R1.1 NC[C@H]1CCCO1 S11127 [1,0,0,1,0,0|1,0,0]=3 303 B7R1.1 NC[C@H]1CCOC1 37316 [1,0,0,1,0,0|2,0,0]=4 304 B7R1.1 NC[C@H]1CCOC1 68891 [1,0,0,1,0,0|2,0,0]=4 305 B7R1.1 NC[C@H]1CCOC1 P12031 [1,0,0,1,0,0|2,0,0]=4 306 B7R1.1 NNC1CCCC1 BL010355 [1,0,0,1,0,0|2,0,0]=4 307 B7R1.1 NOC1CCCC1 97655 [1,0,0,1,0,0|2,0,0]=4 308 B7R1.1 OC[C@H]1CCCO1 66575 [1,0,0,1,0,0|1,0,0]=3 309 B7R1.1 OC[C@H]1CCNC1 24481 [1,0,0,1,0,0|1,0,0]=3 310 B7R1.1 OC[C@H]1CCNC1 29239 [1,0,0,1,0,0|1,0,0]=3 311 B7R1.1 OC[C@H]1CCNC1 30959 [1,0,0,1,0,0|1,0,0]=3 312 B7R1.1 OC[C@H]1CCOC1 37313 [1,0,0,1,0,0|1,0,0]=3 313 B7R1.1 OC[C@H]1CCOC1 37314 [1,0,0,1,0,0|1,0,0]=3 314 B7R1.1 [C-]#[N+]C1CCCC1 T71226 [1,0,0,1,0,0|1,0,1]=4 315 B7R1.3 C[C@H]1CCCCN1 C73894 [1,0,0,1,0,0|1,0,0]=3 316 B7R1.3 C[C@H]1CCCNC1 36405 [1,0,0,1,0,0|1,0,0]=3 317 B7R1.3 C[C@H]1CNCCO1 24564 [1,0,0,1,0,0|1,0,0]=3 318 B7R1.3 C[C@H]1CNCCO1 27729 [1,0,0,1,0,0|1,0,0]=3 319 B7R1.3 C[C@H]1CNCCO1 F13460 [1,0,0,1,0,0|1,0,0]=3 320 B7R1.3 C[C@H]1CNCCO1 P11013 [1,0,0,1,0,0|1,0,0]=3 321 B7R1.3 C[C@H]1COCCN1 72593 [1,0,0,1,0,0|2,0,0]=4 322 B7R1.3 F[C@H]1CCCNC1 37161 [1,0,0,1,0,0|2,0,0]=4 323 B7R1.3 F[C@H]1CCCNC1 37162 [1,0,0,1,0,0|2,0,0]=4 324 B7R1.3 N[C@H]1CCCNC1 C72133 [1,0,0,1,0,0|2,0,0]=4 325 B7R1.3 N[C@H]1CCCOC1 F10442 [1,0,0,1,0,0|2,0,0]=4 326 B7R1.3 O[C@@H]1CNCCO1 26254 [1,0,0,1,0,0|2,0,0]=4 327 B7R1.3 O[C@H]1CCCOC1 P10754 [1,0,0,1,0,0|1,0,0]=3 328 B7R1.3 O[C@H]1CCCOC1 P10755 [1,0,0,1,0,0|1,0,0]=3 329 B7R1.3 SC1CCNCC1 39018 [1,0,0,1,0,0|1,1,0]=4 330 B7R1.3 SC1CCOCC1 AT12453 [1,0,0,1,0,0|1,1,0]=4 331 B7R1.3 S[C@H]1CCCNC1 P11853 [1,0,0,1,0,0|1,1,0]=4 332 B7R1.4 Br[C@H]1CCC[C@@H]1Br D97021 [1,0,0,1,0,0|2,0,0]=4 333 B7R1.4 CC1CNCC1C P18713 [1,0,0,1,0,0|1,0,0]=3 334 B7R1.4 C[C@@H]1CCC[C@@H]1N 72991 [1,0,0,1,0,0|1,0,0]=3 335 B7R1.4 C[C@@H]1CCC[C@@H]1O 72407 [1,0,0,1,0,0|0,0,0]=2 336 B7R1.4 C[C@@H]1CNC[C@@H]1F 73104 [1,0,0,1,0,0|2,0,0]=4 337 B7R1.4 C[C@@H]1CNC[C@@H]1N F13008 [1,0,0,1,0,0|2,0,0]=4 338 B7R1.4 C[C@@H]1CNC[C@@H]1O 72981 [1,0,0,1,0,0|1,0,0]=3 339 B7R1.4 C[C@H]1CCC[C@@H]1O 71002 [1,0,0,1,0,0|0,0,0]=2 340 B7R1.4 C[C@H]1CNC[C@@H]1O 72668 [1,0,0,1,0,0|1,0,0]=3 341 B7R1.4 C[C@H]1COC[C@@H]1N P16382 [1,0,0,1,0,0|2,0,0]=4 342 B7R1.4 C[C@H]1COC[C@@H]1O 73077 [1,0,0,1,0,0|1,0,0]=3 343 B7R1.4 NC1CCCC1N F16273 [1,0,0,1,0,0|2,0,0]=4 344 B7R1.4 NC1COCC1O O11159 [1,0,0,1,0,0|2,0,0]=4 345 B7R1.4 N[C@@H]1CCC[C@@H]1O P10925 [1,0,0,1,0,0|1,0,0]=3 346 B7R1.4 N[C@@H]1COC[C@@H]1O F53671 [1,0,0,1,0,0|2,0,0]=4 347 B7R1.4 N[C@@H]1COC[C@@H]1O P12686 [1,0,0,1,0,0|2,0,0]=4 348 B7R1.4 N[C@H]1CCC[C@@H]1F P17786 [1,0,0,1,0,0|2,0,0]=4 349 B7R1.4 N[C@H]1CCC[C@@H]1N F16352 [1,0,0,1,0,0|2,0,0]=4 350 B7R1.4 N[C@H]1CCC[C@@H]1O 71753 [1,0,0,1,0,0|1,0,0]=3 351 B7R1.4 N[C@H]1CCC[C@H]1N I12005 [1,0,0,1,0,0|2,0,0]=4 352 B7R1.4 N[C@H]1COC[C@@H]1O 71841 [1,0,0,1,0,0|2,0,0]=4 353 B7R1.4 N[C@H]1COC[C@@H]1O P12486 [1,0,0,1,0,0|2,0,0]=4 354 B7R1.4 N[C@H]1COC[C@@H]1O P15828 [1,0,0,1,0,0|2,0,0]=4 355 B7R1.4 O[C@@H]1CNC[C@@H]1F 72988 [1,0,0,1,0,0|2,0,0]=4 356 B7R1.4 O[C@H]1CNC[C@@H]1F 38827 [1,0,0,1,0,0|2,0,0]=4 357 B7R1.4 O[C@H]1CNC[C@@H]1F P15834 [1,0,0,1,0,0|2,0,0]=4 358 B7R1.4 O[C@H]1CNC[C@@H]1O 39002 [1,0,0,1,0,0|2,0,0]=4 359 B7R1.4 O[C@H]1CNC[C@@H]1O P15707 [1,0,0,1,0,0|2,0,0]=4 360 B7R1.4 O[C@H]1COC[C@@H]1F 73076 [1,0,0,1,0,0|2,0,0]=4 361 B7R1.4 O[C@H]1COC[C@@H]1O 66690 [1,0,0,1,0,0|2,0,0]=4 362 B7R1.6 CCNC1CCC1 W19308 [1,0,0,1,0,0|1,0,0]=3 363 B7R1.6 CCNC1COC1 32797 [1,0,0,1,0,0|2,0,0]=4 364 B7R1.6 CCOC1CNC1 C16603 [1,0,0,1,0,0|2,0,0]=4 365 B7R1.6 CNCC1COC1 32854 [1,0,0,1,0,0|2,0,0]=4 366 B7R1.6 CNC[C@H]1CCO1 D96714 [1,0,0,1,0,0|1,0,0]=3 367 B7R1.6 COCC1CNC1 36064 [1,0,0,1,0,0|2,0,0]=4 368 B7R1.6 COCC1CNC1 37073 [1,0,0,1,0,0|2,0,0]=4 369 B7R1.6 COC[C@H]1CCN1 38829 [1,0,0,1,0,0|2,0,0]=4 370 B7R1.6 COC[C@H]1CCN1 P15803 [1,0,0,1,0,0|2,0,0]=4 371 B7R1.6 N#CCC1CCC1 55430 [1,0,0,1,0,0|1,0,1]=4 372 B7R1.6 NCCC1CCC1 P10851 [1,0,0,1,0,0|1,0,0]=3 373 B7R1.6 NCCC1COC1 85783 [1,0,0,1,0,0|2,0,0]=4 374 B7R1.6 NNCC1CCC1 P12716 [1,0,0,1,0,0|2,0,0]=4 375 B7R1.6 O=CCC1CCC1 55432 [1,0,0,1,0,0|0,0,2]=4 376 B7R1.6 OCCC1CCC1 32129 [1,0,0,1,0,0|0,0,0]=2 377 B7R1.6 OCCC1CNC1 P16512 [1,0,0,1,0,0|1,0,0]=3 378 B7R1.6 OCCC1COC1 32759 [1,0,0,1,0,0|1,0,0]=3 379 B7R1.6 OCCN1CCC1 70839 [1,0,0,1,0,0|1,0,0]=3 380 B7R1.6 OCC[C@H]1CCO1 P17680 [1,0,0,1,0,0|1,0,0]=3 381 B7R1.7 C=CCC[C@H]1CO1 61994 [1,0,0,1,0,0|0,0,2]=4 382 B7R1.7 OCCCC1CC1 F52480 [1,0,0,1,0,0|0,0,0]=2 383 B7R1.8 CN1CC[C@@H]1CN P15857 [1,0,0,1,0,0|2,0,0]=4 384 B7R1.8 CN1CC[C@@H]1CO 63438 [1,0,0,1,0,0|1,0,0]=3 385 B7R1.8 CN1CC[C@@H]1CO AT17142 [1,0,0,1,0,0|1,0,0]=3 386 B7R1.8 CN1CC[C@@H]1CO P18351 [1,0,0,1,0,0|1,0,0]=3 387 B7R1.8 O=C1CC[C@@H]1CO P13853 [1,0,0,1,0,0|1,0,1]=4 388 B7R1.9 NCC1CC1CO C14991 [1,0,0,1,0,0|1,0,0]=3 389 B7R1.9 NC[C@H]1C[C@@H]1CN D79389 [1,0,0,1,0,0|2,0,0]=4 390 B7R1.9 OC[C@H]1C[C@H]1CO P16470 [1,0,0,1,0,0|1,0,0]=3 391 B7R1.24 C1CNCCOC1 80062 [1,0,0,1,0,0|1,0,0]=3 392 B9R1.2 CC[C@H]1CC(=O)CCO1 73975 [0,1,0,1,0,0|0,0,1]=3 393 B9R1.2 CC[C@H]1CN(C)CCN1 P20253 [0,1,0,1,0,0|2,0,0]=4 394 B9R1.2 CC[C@H]1CN(C)CCN1 P20610 [0,1,0,1,0,0|2,0,0]=4 395 B9R1.2 CN1CCC[C@H](CN)C1 37194 [0,1,0,1,0,0|2,0,0]=4 396 B9R1.2 CN1CCC[C@H](CN)C1 P11114 [0,1,0,1,0,0|2,0,0]=4 397 B9R1.2 CN1CCN[C@@H](CO)C1 P18089 [0,1,0,1,0,0|2,0,0]=4 398 B9R1.2 CN1CCO[C@@H](CN)C1 72736 [0,1,0,1,0,0|2,0,0]=4 399 B9R1.2 CN1CCO[C@@H](CO)C1 77632 [0,1,0,1,0,0|2,0,0]=4 400 B9R1.2 CN1CCO[C@@H](CO)C1 77633 [0,1,0,1,0,0|2,0,0]=4 401 B9R1.2 CO[C@H]1CCC[C@@H](N)C1 D96541 [0,1,0,1,0,0|2,0,0]=4 402 B9R1.2 NC1CCOC(CO)C1 D79017 [0,1,0,1,0,0|1,0,0]=3 403 B9R1.2 N[C@H]1CCC[C@H](CO)C1 D79005 [0,1,0,1,0,0|0,0,0]=2 404 B9R1.2 O=C1CCC[C@H](CO)C1 Y10198 [0,1,0,1,0,0|0,0,1]=3 405 B9R1.2 O=C1CCC[C@H](CO)N1 Y14667 [0,1,0,1,0,0|1,0,1]=4 406 B9R1.2 O=C1C[C@@H](CO)CCN1 37567 [0,1,0,1,0,0|1,0,1]=4 407 B9R1.2 OCC1CNCC(F)C1 72782 [0,1,0,1,0,0|1,0,0]=3 408 B9R1.7 CCC[C@H]1CCC(=O)C1 A10517 [0,1,0,1,0,0|0,0,2]=4 409 B9R1.7 CN1CC[C@H](CCN)C1 37308 [0,1,0,1,0,0|2,0,0]=4 410 B9R1.7 CN1CC[C@H](CCO)C1 37198 [0,1,0,1,0,0|1,0,0]=3 411 B9R1.7 COC[C@@H]1C[C@H](O)CN1 P20748 [0,1,0,1,0,0|2,0,0]=4 412 B9R1.8 BrCCC1CCNCC1 AC8208 [0,1,0,1,0,0|1,0,0]=3 413 B9R1.8 BrCCC1CCOCC1 56518 [0,1,0,1,0,0|1,0,0]=3 414 B9R1.8 BrCCN1CCCCC1 O10261 [0,1,0,1,0,0|1,0,0]=3 415 B9R1.8 BrCCN1CCCCO1 72888 [0,1,0,1,0,0|1,0,0]=3 416 B9R1.8 CCCN1CCOCC1 A12323 [0,1,0,1,0,0|2,0,0]=4 417 B9R1.8 CCO[C@@H]1CNCCO1 Y10945 [0,1,0,1,0,0|1,0,0]=3 418 B9R1.8 CNCC1CCCCC1 F20557 [0,1,0,1,0,0|1,0,0]=3 419 B9R1.8 CNCC1CCNCC1 28113 [0,1,0,1,0,0|2,0,0]=4 420 B9R1.8 CNC[C@H]1CCCOC1 P11000 [0,1,0,1,0,0|1,0,0]=3 421 B9R1.8 CNC[C@H]1CCCOC1 P16260 [0,1,0,1,0,0|1,0,0]=3 422 B9R1.8 CNC[C@H]1CNCCO1 AB1528 [0,1,0,1,0,0|1,0,0]=3 423 B9R1.8 CNC[C@H]1COCCO1 AC1133 [0,1,0,1,0,0|1,0,0]=3 424 B9R1.8 CNC[C@H]1COCCO1 F31295 [0,1,0,1,0,0|1,0,0]=3 425 B9R1.8 CNC[C@H]1COCCO1 F51993 [0,1,0,1,0,0|1,0,0]=3 426 B9R1.8 CNC[C@H]1COCCO1 F51998 [0,1,0,1,0,0|1,0,0]=3 427 B9R1.8 COC[C@H]1CCCCN1 39467 [0,1,0,1,0,0|1,0,0]=3 428 B9R1.8 COC[C@H]1CCCCN1 71896 [0,1,0,1,0,0|1,0,0]=3 429 B9R1.8 COC[C@H]1CCCNC1 F11112 [0,1,0,1,0,0|1,0,0]=3 430 B9R1.8 COC[C@H]1CNCCO1 77670 [0,1,0,1,0,0|1,0,0]=3 431 B9R1.8 COC[C@H]1CNCCO1 77672 [0,1,0,1,0,0|1,0,0]=3 432 B9R1.8 COC[C@H]1COCCN1 77667 [0,1,0,1,0,0|2,0,0]=4 433 B9R1.8 COC[C@H]1COCCN1 77668 [0,1,0,1,0,0|2,0,0]=4 434 B9R1.8 COC[C@H]1COCCN1 77669 [0,1,0,1,0,0|2,0,0]=4 435 B9R1.8 ClCCC1CCNCC1 AC3007 [0,1,0,1,0,0|1,0,0]=3 436 B9R1.8 FCCN1CCNCC1 27667 [0,1,0,1,0,0|2,0,0]=4 437 B9R1.8 N#CCC1CCOCC1 H10074 [0,1,0,1,0,0|1,0,1]=4 438 B9R1.8 NCCC1CCCCC1 24486 [0,1,0,1,0,0|1,0,0]=3 439 B9R1.8 NCCC1CCCCC1 55664 [0,1,0,1,0,0|1,0,0]=3 440 B9R1.8 NCCC1CCOCC1 71435 [0,1,0,1,0,0|1,0,0]=3 441 B9R1.8 NCCC1CCSCC1 AC3550 [0,1,0,1,0,0|1,0,0]=3 442 B9R1.8 NCCN1CCCCO1 72735 [0,1,0,1,0,0|1,0,0]=3 443 B9R1.8 NNCC1CCOCC1 P12620 [0,1,0,1,0,0|2,0,0]=4 444 B9R1.8 O=CCC1CCCCC1 11388 [0,1,0,1,0,0|0,0,1]=3 445 B9R1.8 OCCC1CCOCC1 62381 [0,1,0,1,0,0|0,0,0]=2 446 B9R1.8 OCCN1CCSCC1 O10852 [0,1,0,1,0,0|1,0,0]=3 447 B9R1.8 OCC[C@H]1CCCCN1 62347 [0,1,0,1,0,0|0,0,0]=2 448 B9R1.8 OCC[C@H]1CCCCN1 88407 [0,1,0,1,0,0|0,0,0]=2 449 B9R1.8 OCC[C@H]1CCCCN1 F30243 [0,1,0,1,0,0|0,0,0]=2 450 B9R1.8 OCC[C@H]1CCCNC1 W17542 [0,1,0,1,0,0|0,0,0]=2 451 B9R1.8 OCC[C@H]1CNCCN1 27755 [0,1,0,1,0,0|1,0,0]=3 452 B9R1.8 OCC[C@H]1CNCCO1 F13466 [0,1,0,1,0,0|1,0,0]=3 453 B9R1.12 BrCCCN1CCCC1 C76980 [0,1,0,1,0,0|1,0,0]=3 454 B9R1.12 OCCOC1CCCC1 31903 [0,1,0,1,0,0|0,0,0]=2 455 B9R1.15 CC1CCCCC1CN 72191 [0,1,0,1,0,0|1,0,0]=3 456 B9R1.15 CC1CCCNC1CO 72650 [0,1,0,1,0,0|0,0,0]=2 457 B9R1.15 CCN1CCNC[C@@H]1C Y13519 [0,1,0,1,0,0|2,0,0]=4 458 B9R1.15 CC[C@@H]1NCCCC1=O 63470 [0,1,0,1,0,0|0,0,2]=4 459 B9R1.15 CC[C@H]1CNCCN1C D83449 [0,1,0,1,0,0|2,0,0]=4 460 B9R1.15 CC[C@H]1CNCCN1C D83450 [0,1,0,1,0,0|2,0,0]=4 461 B9R1.15 CN1CCCC[C@@H]1CBr Y13498 [0,1,0,1,0,0|1,0,0]=3 462 B9R1.15 CN1CCCC[C@@H]1CCl F11618 [0,1,0,1,0,0|1,0,0]=3 463 B9R1.15 CN1CCCC[C@@H]1CN C72724 [0,1,0,1,0,0|1,0,0]=3 464 B9R1.15 CN1CCCC[C@@H]1CO O10154 [0,1,0,1,0,0|0,0,0]=2 465 B9R1.15 CN1CCCC[C@@H]1CO O10190 [0,1,0,1,0,0|0,0,0]=2 466 B9R1.15 CN1CCNC[C@@H]1CO D85973 [0,1,0,1,0,0|1,0,0]=3 467 B9R1.15 CN1CCOC[C@@H]1CO 77628 [0,1,0,1,0,0|1,0,0]=3 468 B9R1.15 CN1CCOC[C@@H]1CO 77629 [0,1,0,1,0,0|1,0,0]=3 469 B9R1.15 CN1CCOC[C@@H]1CO W17675 [0,1,0,1,0,0|1,0,0]=3 470 B9R1.15 CN[C@H]1CCCC[C@@H]1O D94629 [0,1,0,1,0,0|0,0,0]=2 471 B9R1.15 COC1CCCCC1N O10822 [0,1,0,1,0,0|1,0,0]=3 472 B9R1.15 CO[C@H]1CCCC[C@@H]1N 89667 [0,1,0,1,0,0|1,0,0]=3 473 B9R1.15 CO[C@H]1CCCC[C@@H]1N P19687 [0,1,0,1,0,0|1,0,0]=3 474 B9R1.15 CO[C@H]1CCCC[C@H]1N D96624 [0,1,0,1,0,0|1,0,0]=3 475 B9R1.15 CO[C@H]1CCCC[C@H]1N P20243 [0,1,0,1,0,0|1,0,0]=3 476 B9R1.15 CO[C@H]1CCNC[C@@H]1O P15068 [0,1,0,1,0,0|1,0,0]=3 477 B9R1.15 CO[C@H]1COCC[C@@H]1N 37650 [0,1,0,1,0,0|2,0,0]=4 478 B9R1.15 CO[C@H]1COCC[C@@H]1N 37651 [0,1,0,1,0,0|2,0,0]=4 479 B9R1.15 CO[C@H]1COCC[C@@H]1N 37652 [0,1,0,1,0,0|2,0,0]=4 480 B9R1.15 CO[C@H]1COCC[C@H]1N 37649 [0,1,0,1,0,0|2,0,0]=4 481 B9R1.15 NC[C@@H]1CCNC[C@@H]1O P20455 [0,1,0,1,0,0|1,0,0]=3 482 B9R1.15 NC[C@H]1CCNC[C@@H]1O P16383 [0,1,0,1,0,0|1,0,0]=3 483 B9R1.15 N[C@H]1CCCC[C@H]1CO P19621 [0,1,0,1,0,0|0,0,0]=2 484 B9R1.15 OCC1=C(Br)CCCC1 AC8357 [0,1,0,1,0,0|0,0,2]=4 485 B9R1.15 OCC1CCNCC1O 72831 [0,1,0,1,0,0|1,0,0]=3 486 B9R1.15 OCC1CNCCC1O 73026 [0,1,0,1,0,0|1,0,0]=3 487 B9R1.15 OC[C@@H]1CCNC[C@@H]1F P14143 [0,1,0,1,0,0|1,0,0]=3 488 B9R1.22 CN1C[C@@H](F)C[C@H]1CO D97026 [0,1,0,1,0,0|1,0,0]=3 489 B9R1.22 CN1C[C@@H](O)C[C@@H]1CO P11483 [0,1,0,1,0,0|1,0,0]=3 490 B9R1.22 CO[C@H]1CN(C)C[C@@H]1O P20782 [0,1,0,1,0,0|2,0,0]=4 491 B9R1.33 CN1CCC[C@@H]1CCN P10542 [0,1,0,1,0,0|1,0,0]=3 492 B9R1.33 CN1CCC[C@@H]1CCO 27869 [0,1,0,1,0,0|0,0,0]=2 493 B9R1.33 CN1CCC[C@@H]1CCO 27876 [0,1,0,1,0,0|0,0,0]=2 494 B9R1.33 CNC[C@H]1CCCN1C D82894 [0,1,0,1,0,0|2,0,0]=4 495 B9R1.33 CNC[C@H]1CCCN1C P16259 [0,1,0,1,0,0|2,0,0]=4 496 B9R1.33 COC[C@H]1CCCN1N 70039 [0,1,0,1,0,0|2,0,0]=4 497 B9R1.33 COC[C@H]1CCCN1N 70044 [0,1,0,1,0,0|2,0,0]=4 498 B9R1.48 C[C@H]1CCCCC(=O)N1 W19298 [0,1,0,1,0,0|0,0,2]=4 499 B9R1.49 CN1CCC[C@H](N)CC1 37046 [0,1,0,1,0,0|2,0,0]=4 500 B9R1.49 CN1CCC[C@H](O)CC1 63484 [0,1,0,1,0,0|1,0,0]=3 501 B9R1.49 O=C1CCC[C@H](O)CN1 N10631 [0,1,0,1,0,0|1,0,1]=4 502 B9R1.50 OC1CNCCCNC1 77719 [0,1,0,1,0,0|1,0,0]=3 503 B9R1.50 O[C@@H]1C=CCCCCC1 AT23384 [0,1,0,1,0,0|0,0,1]=3 504 B9R1.50 O[C@@H]1CCC=CCCC1 C76726 [0,1,0,1,0,0|0,0,1]=3 505 B9R1.69 CC1CC(=O)CCC1O Y10041 [0,1,0,1,0,0|0,0,1]=3 506 B9R1.69 CC1CCC(C)C(=O)C1 T71472 [0,1,0,1,0,0|0,0,2]=4 507 B9R1.117 OCCCC1(O)CCC1 P17638 [0,1,0,1,0,0|0,0,0]=2 508 B9R1.134 CC1(CCN)OCCO1 53392 [0,1,0,1,0,0|2,0,0]=4 509 B9R1.134 CCC[N+]1(C)CCCC1 56141 [0,1,0,1,0,0|2,0,0]=4 510 B9R1.134 CNCC1(C)OCCO1 W15942 [0,1,0,1,0,0|2,0,0]=4 511 B9R1.134 N#CCC1(N)CCCC1 F30400 [0,1,0,1,0,0|1,0,1]=4 512 B9R1.5 CC1CCCNCC1C 73165 [0,1,0,1,0,0|1,0,0]=3 513 B9R1.5 C[C@H]1CCNCCC1=O 73013 [0,1,0,1,0,0|0,0,2]=4 514 B9R1.5 OC1CCNCCC1F 73002 [0,1,0,1,0,0|1,0,0]=3 515 B9R1.89 CCN1CCCCCC1 A11156 [0,1,0,1,0,0|1,0,0]=3 516 B9R1.89 CCN1CCCNCC1 I11453 [0,1,0,1,0,0|2,0,0]=4 517 B9R1.89 CN[C@H]1CCCCNC1 M59314 [0,1,0,1,0,0|2,0,0]=4 518 B9R1.89 COC1CNCCNC1 77722 [0,1,0,1,0,0|2,0,0]=4 519 B9R1.89 CO[C@H]1CCCNCC1 37044 [0,1,0,1,0,0|1,0,0]=3 520 B9R1.89 CO[C@H]1CCCNCC1 37045 [0,1,0,1,0,0|1,0,0]=3 521 B9R1.89 N#CC1CCCCCC1 F53544 [0,1,0,1,0,0|1,0,0]=3 522 B9R1.89 N#C[C@H]1CCCNCC1 P13588 [0,1,0,1,0,0|1,0,1]=4 523 B9R1.89 NNC1CCCCCC1 AB1363 [0,1,0,1,0,0|1,0,0]=3 524 B9R1.89 OC[C@H]1CCCCCN1 C12372 [0,1,0,1,0,0|0,0,0]=2 525 B9R1.89 OC[C@H]1CCCCNC1 P12855 [0,1,0,1,0,0|0,0,0]=2 526 B9R1.89 OC[C@H]1CNCCCO1 32212 [0,1,0,1,0,0|1,0,0]=3 527 B9R1.89 OC[C@H]1CNCCCO1 53535 [0,1,0,1,0,0|1,0,0]=3 528 B9R1.103 C1CCCCNCCC1 T72630 [0,1,0,1,0,0|1,0,0]=3 529 B9R1.103 C1CNCCNCCN1 H10640 [0,1,0,1,0,0|2,0,0]=4 530 B9R1.1 C=C1CCC(CO)CC1 F13032 [0,1,0,1,0,0|0,0,1]=3 531 B9R1.1 CC1CCC(CO)CN1 72671 [0,1,0,1,0,0|1,0,0]=3 532 B9R1.1 CC1CCC(CO)NC1 73032 [0,1,0,1,0,0|1,0,0]=3 533 B9R1.1 CCN1CCC(N)CC1 W15425 [0,1,0,1,0,0|2,0,0]=4 534 B9R1.1 CC[C@H]1CC[C@H](O)CC1 F19617 [0,1,0,1,0,0|1,0,0]=3 535 B9R1.1 CN1CCC(CBr)CC1 84194 [0,1,0,1,0,0|2,0,0]=4 536 B9R1.1 CN1CCC(CN)CC1 BL002502 [0,1,0,1,0,0|2,0,0]=4 537 B9R1.1 CNC1CCC(N)CC1 CS1725 [0,1,0,1,0,0|2,0,0]=4 538 B9R1.1 CN[C@H]1CC[C@@H](O)CC1 38918 [0,1,0,1,0,0|2,0,0]=4 539 B9R1.1 CN[C@H]1CC[C@@H](O)CC1 C77279 [0,1,0,1,0,0|2,0,0]=4 540 B9R1.1 CN[C@H]1CC[C@H](O)CC1 C77158 [0,1,0,1,0,0|2,0,0]=4 541 B9R1.1 COC1CCC(N)CC1 26413 [0,1,0,1,0,0|2,0,0]=4 542 B9R1.1 CO[C@H]1CC[C@@H](N)CC1 S11590 [0,1,0,1,0,0|2,0,0]=4 543 B9R1.1 CO[C@H]1CC[C@@H](N)CC1 S11591 [0,1,0,1,0,0|2,0,0]=4 544 B9R1.1 CO[C@H]1CC[C@H](N)CC1 S11822 [0,1,0,1,0,0|2,0,0]=4 545 B9R1.1 CO[C@H]1CC[C@H](O)CC1 D84292 [0,1,0,1,0,0|2,0,0]=4 546 B9R1.1 C[C@@H]1CC[C@H](CO)CN1 P15861 [0,1,0,1,0,0|1,0,0]=3 547 B9R1.1 C[C@@H]1CN[C@@H](CO)CN1 90048 [0,1,0,1,0,0|2,0,0]=4 548 B9R1.1 C[C@@H]1CN[C@@H](CO)CN1 AT10023 [0,1,0,1,0,0|2,0,0]=4 549 B9R1.1 N#CC1CCC(N)CC1 F52727 [0,1,0,1,0,0|1,0,1]=4 550 B9R1.1 N#CC1CCC(O)CC1 26849 [0,1,0,1,0,0|1,0,1]=4 551 B9R1.1 N#C[C@H]1CC[C@@H](N)CC1 AT13196 [0,1,0,1,0,0|1,0,1]=4 552 B9R1.1 N#C[C@H]1CC[C@H](N)CC1 AT13199 [0,1,0,1,0,0|1,0,1]=4 553 B9R1.1 NCC1CCC(=O)CC1 56684 [0,1,0,1,0,0|1,0,1]=4 554 B9R1.1 NC[C@H]1CC[C@@H](O)CC1 P14164 [0,1,0,1,0,0|1,0,0]=3 555 B9R1.1 NC[C@H]1CC[C@H](O)CC1 P14163 [0,1,0,1,0,0|1,0,0]=3 556 B9R1.1 N[C@H]1CC[C@@H](CO)CC1 39277 [0,1,0,1,0,0|0,0,0]=2 557 B9R1.1 O=C1CC[C@H](CO)CN1 C72773 [0,1,0,1,0,0|1,0,1]=4 558 B9R1.1 OC[C@H]1CC[C@@H](O)CC1 P19128 [0,1,0,1,0,0|0,0,0]=2 559 B9R1.1 OC[C@H]1CC[C@H](O)CC1 T72373 [0,1,0,1,0,0|0,0,0]=2 560 B9R1.3 N[C@@H]1[C@@H](O)CCC[C@H]1O W13742 [0,1,0,1,0,0|1,0,0]=3 561 B9R1.11 C#C[C@@H](O)C1CCCC1 AC1315 [0,1,0,1,0,0|1,0,1]=4 562 B9R1.11 NC(CO)C1CCOC1 32326 [0,1,0,1,0,0|1,0,0]=3 563 B9R1.11 O=C(CBr)C1CCCC1 P20314 [0,1,0,1,0,0|1,0,1]=4 564 B9R1.11 O=C(CO)N1CCCC1 W15877 [0,1,0,1,0,0|1,0,1]=4 565 B9R1.21 OCC1CCC(CO)N1 CS1569 [0,1,0,1,0,0|1,0,0]=3 566 B9R1.79 O=C(CBr)CC1CCC1 D79065 [0,1,0,1,0,0|1,0,1]=4 567 B9R1.88 COC(=O)[C@H]1C[C@@H]1CO P20071 [0,1,0,1,0,0|1,0,1]=4 568 B9R1.118 C#CC1(C)CCCCC1 D82488 [0,1,0,1,0,0|1,0,1]=4 569 B9R1.118 CC1(CO)CCNCC1 26607 [0,1,0,1,0,0|1,0,0]=3 570 B9R1.118 CC1(CO)CCOCC1 31610 [0,1,0,1,0,0|1,0,0]=3 571 B9R1.118 CCC1(N)CCCCC1 21224 [0,1,0,1,0,0|1,0,0]=3 572 B9R1.118 CCC1(N)CCOCC1 P16087 [0,1,0,1,0,0|2,0,0]=4 573 B9R1.118 C[C@]1(CO)CCCNC1 38434 [0,1,0,1,0,0|1,0,0]=3 574 B9R1.118 C[C@]1(CO)CNCCN1 W17124 [0,1,0,1,0,0|2,0,0]=4 575 B9R1.118 FC1(CBr)CCOCC1 P18901 [0,1,0,1,0,0|2,0,0]=4 576 B9R1.118 NC1(CO)CCNCC1 P19134 [0,1,0,1,0,0|1,0,0]=3 577 B9R1.118 NC1(CO)CCOCC1 30407 [0,1,0,1,0,0|1,0,0]=3 578 B9R1.118 NC1(CO)CCSCC1 AC1096 [0,1,0,1,0,0|1,0,0]=3 579 B9R1.118 NCC1(F)CCCCC1 85745 [0,1,0,1,0,0|1,0,0]=3 580 B9R1.118 NCC1(F)CCOCC1 38680 [0,1,0,1,0,0|2,0,0]=4 581 B9R1.118 NCC1(O)CCOCC1 27391 [0,1,0,1,0,0|2,0,0]=4 582 B9R1.118 O=NC1(Cl)CCCCC1 F15290 [0,1,0,1,0,0|1,0,1]=4 583 B9R1.118 OC1(CF)CCNCC1 38477 [0,1,0,1,0,0|2,0,0]=4 584 B9R1.118 OCC1(F)CCNCC1 37479 [0,1,0,1,0,0|1,0,0]=3 585 B9R1.118 OCC1(F)CCOCC1 38679 [0,1,0,1,0,0|1,0,0]=3 586 B9R1.118 OCC1(O)CCNCC1 37483 [0,1,0,1,0,0|1,0,0]=3 587 B9R1.118 OCC1(O)CCNCC1 70872 [0,1,0,1,0,0|1,0,0]=3 588 B9R1.118 OC[C@]1(O)CCCNC1 38750 [0,1,0,1,0,0|1,0,0]=3 589 B9R1.132 CN1C(=O)CC[C@@H]1CO 94188 [0,1,0,1,0,0|1,0,1]=4 590 B9R1.132 CN1C(=O)CC[C@@H]1CO 94193 [0,1,0,1,0,0|1,0,1]=4 591 B9R1.132 CN1C(=O)CC[C@@H]1CO S11484 [0,1,0,1,0,0|1,0,1]=4 592 B9R1.6 CC(=O)[C@@H]1CNCCO1 90399 [0,1,0,1,0,0|1,0,1]=4 593 B9R1.6 CC(C)C1CCNCC1 T72018 [0,1,0,1,0,0|2,0,0]=4 594 B9R1.6 CC(C)[C@@H]1CNCCO1 36446 [0,1,0,1,0,0|1,0,0]=3 595 B9R1.6 CC(C)[C@@H]1CNCCO1 C72697 [0,1,0,1,0,0|1,0,0]=3 596 B9R1.6 C[C@H](N)C1CCCCC1 N11990 [0,1,0,1,0,0|1,0,0]=3 597 B9R1.6 C[C@H](N)C1CCOCC1 52485 [0,1,0,1,0,0|2,0,0]=4 598 B9R1.6 C[C@H](N)C1CCOCC1 52508 [0,1,0,1,0,0|2,0,0]=4 599 B9R1.6 C[C@H](N)C1CCOCC1 53162 [0,1,0,1,0,0|2,0,0]=4 600 B9R1.6 C[C@H](O)C1CCNCC1 50851 [0,1,0,1,0,0|1,0,0]=3 601 B9R1.6 C[C@H](O)C1CCOCC1 72533 [0,1,0,1,0,0|1,0,0]=3 602 B9R1.6 C[C@H](O)C1CCOCC1 D96636 [0,1,0,1,0,0|1,0,0]=3 603 B9R1.6 FC(F)C1CCNCC1 38478 [0,1,0,1,0,0|2,0,0]=4 604 B9R1.6 FC(F)[C@H]1CCCNC1 S11388 [0,1,0,1,0,0|2,0,0]=4 605 B9R1.6 O=C(O)C1CCSCC1 24425 [0,1,0,1,0,0|1,0,1]=4 606 B9R1.6 O=C(O)[C@@H]1CCCCO1 P15808 [0,1,0,1,0,0|1,0,1]=4 607 B9R1.6 O=C(O)[C@@H]1CCCCO1 P16420 [0,1,0,1,0,0|1,0,1]=4 608 B9R1.6 O=C(O)[C@H]1CCCSC1 37673 [0,1,0,1,0,0|1,0,1]=4 609 B9R1.13 CC(=O)O[C@@H]1CCCO1 D94546 [0,1,0,1,0,0|1,0,1]=4 610 B9R1.13 CN(C)C[C@H]1CCCN1 C78068 [0,1,0,1,0,0|2,0,0]=4 611 B9R1.13 CN(C)C[C@H]1CCCN1 P10914 [0,1,0,1,0,0|2,0,0]=4 612 B9R1.13 CN(C)C[C@H]1CCCN1 P12523 [0,1,0,1,0,0|2,0,0]=4 613 B9R1.13 CN(C)C[C@H]1CCCN1 P14326 [0,1,0,1,0,0|2,0,0]=4 614 B9R1.13 CN(C)C[C@H]1CCCO1 70867 [0,1,0,1,0,0|1,0,0]=3 615 B9R1.13 O=C(O)C[C@H]1CCCN1 70865 [0,1,0,1,0,0|1,0,1]=4 616 B9R1.13 O=C(O)C[C@H]1CCCN1 F11179 [0,1,0,1,0,0|1,0,1]=4 617 B9R1.13 O=C(O)C[C@H]1CCCN1 F12356 [0,1,0,1,0,0|1,0,1]=4 618 B9R1.13 O=C(O)C[C@H]1CCCN1 P10210 [0,1,0,1,0,0|1,0,1]=4 619 B9R1.13 O=C(O)C[C@H]1CCNC1 50100 [0,1,0,1,0,0|1,0,1]=4 620 B9R1.13 O=C(O)C[C@H]1CCNC1 P10779 [0,1,0,1,0,0|1,0,1]=4 621 B9R1.13 O=C(O)C[C@H]1CCOC1 68888 [0,1,0,1,0,0|1,0,1]=4 622 B9R1.13 O=C(O)C[C@H]1CCOC1 68890 [0,1,0,1,0,0|1,0,1]=4 623 B9R1.40 CC1(C)COCC[C@@H]1N P14562 [0,1,0,1,0,0|2,0,0]=4 624 B9R1.40 CC1(C)COCC[C@@H]1N P19386 [0,1,0,1,0,0|2,0,0]=4 625 B9R1.40 C[C@H]1CNCCC1(F)F 72941 [0,1,0,1,0,0|2,0,0]=4 626 B9R1.40 N[C@H]1CCCCC1(F)F 77892 [0,1,0,1,0,0|2,0,0]=4 627 B9R1.40 OC1(O)CCOC[C@@H]1F 39248 [0,1,0,1,0,0|2,0,0]=4 628 B9R1.40 O[C@H]1CCNCC1(F)F 38733 [0,1,0,1,0,0|2,0,0]=4 629 B9R1.40 O[C@H]1CCNCC1(F)F P12646 [0,1,0,1,0,0|2,0,0]=4 630 B9R1.41 CN1CCC[C@H]1C(=O)O C74581 [0,1,0,1,0,0|1,0,1]=4 631 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O C74853 [0,1,0,1,0,0|1,0,1]=4 632 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O C76009 [0,1,0,1,0,0|1,0,1]=4 633 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O F19718 [0,1,0,1,0,0|1,0,1]=4 634 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O AT13996 [0,1,0,1,0,0|1,0,1]=4 635 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O C10521 [0,1,0,1,0,0|1,0,1]=4 636 B9R1.59 CCOC1CC1C(=O)O C77470 [0,1,0,1,0,0|1,0,1]=4 637 B9R1.84 O=C(O)CCC1CCC1 86885 [0,1,0,1,0,0|0,0,1]=3 638 B9R1.84 O=C(O)COC1CCC1 27934 [0,1,0,1,0,0|1,0,1]=4 639 B9R1.86 CCC1CC1CC(=O)O D79896 [0,1,0,1,0,0|0,0,1]=3 640 B9R1.96 CCN1CC[C@H]1C(=O)O P15973 [0,1,0,1,0,0|1,0,1]=4 641 B9R1.148 CC1(C)CCCNCC1 W15420 [0,1,0,1,0,0|2,0,0]=4 642 B9R1.148 FC1(F)CCCCNC1 73035 [0,1,0,1,0,0|2,0,0]=4 643 B9R1.148 FC1(F)CCCNCC1 37043 [0,1,0,1,0,0|2,0,0]=4 644 B9R2.49 C1CC2CCC1CN2 20492 [0,0,0,2,0,0|1,0,0]=3 645 B9R2.49 C1CC2CCC1CN2 38592 [0,0,0,2,0,0|1,0,0]=3 646 B9R2.49 C1CC2CNC1CN2 30821 [0,0,0,2,0,0|2,0,0]=4 647 B9R2.49 C1C[C@@H]2CN[C@H]1CO2 P14533 [0,0,0,2,0,0|1,0,0]=3 648 B9R2.53 OC1[C@@H]2CNC[C@H]1C2 D97015 [0,0,0,2,0,0|1,0,0]=3 649 B9R2.56 OCC12CNCC1C2 38677 [0,0,0,2,0,0|1,0,0]=3 650 B9R2.56 OCC12COCC1C2 D79110 [0,0,0,2,0,0|1,0,0]=3 651 B9R2.65 OCC1C2COCC12 69809 [0,0,0,2,0,0|1,0,0]=3 652 B9R2.65 OC[C@@H]1[C@@H]2COC[C@@H]21 P14535 [0,0,0,2,0,0|1,0,0]=3 653 B9R2.65 OC[C@@H]1[C@H]2CNC[C@H]21 37491 [0,0,0,2,0,0|1,0,0]=3 654 B9R2.65 OC[C@H]1[C@@H]2COC[C@H]12 37929 [0,0,0,2,0,0|1,0,0]=3 655 B9R2.68 C1CC2CCC(C1)N2 P12684 [0,0,0,2,0,0|1,0,0]=3 656 B9R2.68 C1CC2CCC(C2)N1 N13361 [0,0,0,2,0,0|1,0,0]=3 657 B9R2.68 C1CC2CNCC1C2 F53590 [0,0,0,2,0,0|2,0,0]=4 658 B9R2.68 C1CC2CNCC1O2 64984 [0,0,0,2,0,0|1,0,0]=3 659 B9R2.68 C1CC2COCC1N2 P12236 [0,0,0,2,0,0|2,0,0]=4 660 B9R2.68 C1CN2CCC(C2)N1 38913 [0,0,0,2,0,0|2,0,0]=4 661 B9R2.174 C1CCC2(CC2)NC1 82073 [0,0,0,2,0,0|1,0,0]=3 662 B9R2.174 C1CNC2(CC2)CN1 38355 [0,0,0,2,0,0|2,0,0]=4 663 B9R2.174 C1CNC2(CC2)CN1 82062 [0,0,0,2,0,0|2,0,0]=4 664 B9R2.174 C1CNCC2(C1)CC2 85765 [0,0,0,2,0,0|2,0,0]=4 665 B9R2.174 C1COC2(CC2)CN1 80461 [0,0,0,2,0,0|1,0,0]=3 666 B9R2.6 CC12CCCCC1O2 T71914 [0,0,0,2,0,0|0,0,0]=2 667 B9R2.6 CC12CCNCC1C2 P18749 [0,0,0,2,0,0|2,0,0]=4 668 B9R2.6 NC12CCCCC1C2 P18959 [0,0,0,2,0,0|1,0,0]=3 669 B9R2.39 CN1C[C@@H]2C[C@H]1CN2 33334 [0,0,0,2,0,0|2,0,0]=4 670 B9R2.39 CN1C[C@@H]2C[C@H]1CN2 38366 [0,0,0,2,0,0|2,0,0]=4 671 B9R2.39 CN1C[C@@H]2C[C@H]1CN2 P13880 [0,0,0,2,0,0|2,0,0]=4 672 B9R2.39 FC1CC2CNC1C2 P20401 [0,0,0,2,0,0|2,0,0]=4 673 B9R2.39 N[C@H]1C[C@@H]2CC[C@H]1C2 F16498 [0,0,0,2,0,0|1,0,0]=3 674 B9R2.39 OC1CC2CC1CN2 P15330 [0,0,0,2,0,0|1,0,0]=3 675 B9R2.39 OC1CC2CNC1C2 P20346 [0,0,0,2,0,0|1,0,0]=3 676 B9R2.39 O[C@H]1C[C@H]2CC[C@@H]1C2 P19938 [0,0,0,2,0,0|0,0,0]=2 677 B9R2.109 O=C1CCCC2CC12 P10813 [0,0,0,2,0,0|0,0,2]=4 678 B9R2.2 C1CN[C@H](C2CC2)C1 85767 [0,0,0,2,0,0|1,0,0]=3 679 B9R2.2 C1C[C@H](C2CC2)CN1 33378 [0,0,0,2,0,0|2,0,0]=4 680 B9R2.3 C1CC2CNCC2O1 81212 [0,0,0,2,0,0|1,0,0]=3 681 B9R2.3 C1C[C@H]2CNC[C@@H]2C1 P20905 [0,0,0,2,0,0|1,0,0]=3 682 B9R2.3 C1NCC2CNCC12 27252 [0,0,0,2,0,0|2,0,0]=4 683 B9R2.3 C1NCC2COCC12 37833 [0,0,0,2,0,0|1,0,0]=3 684 B9R2.3 C1NCC2COCC12 84715 [0,0,0,2,0,0|1,0,0]=3 685 B9R2.3 C1NC[C@@H]2COC[C@H]12 FD6066 [0,0,0,2,0,0|1,0,0]=3 686 B9R2.3 C1NC[C@H]2COC[C@H]12 P20901 [0,0,0,2,0,0|1,0,0]=3 687 B9R2.173 C1CC2(C1)CCNC2 39200 [0,0,0,2,0,0|2,0,0]=4 688 B9R2.173 C1CC2(C1)CCNC2 F11035 [0,0,0,2,0,0|2,0,0]=4 689 B9R2.173 C1CC2(CCO2)CN1 39215 [0,0,0,2,0,0|1,0,0]=3 690 B9R2.173 C1CCC2(C1)CNC2 33446 [0,0,0,2,0,0|2,0,0]=4 691 B9R2.173 C1CCC2(C1)CNC2 39199 [0,0,0,2,0,0|2,0,0]=4 692 B9R2.173 C1CNC2(C1)CCC2 39212 [0,0,0,2,0,0|1,0,0]=3 693 B9R2.173 C1CNC2(C1)COC2 32856 [0,0,0,2,0,0|2,0,0]=4 694 B9R2.173 C1CNC2(C1)COC2 39216 [0,0,0,2,0,0|2,0,0]=4 695 B9R2.173 C1COC2(C1)CNC2 W13909 [0,0,0,2,0,0|1,0,0]=3 696 B9R2.173 C1C[C@@]2(CCO2)CN1 32848 [0,0,0,2,0,0|1,0,0]=3 697 B9R2.140 O[C@H]1CCC12COC2 84055 [0,0,0,2,0,0|1,0,0]=3 698 B9R2.5 F[C@H]1CNCC12CC2 P18289 [0,0,0,2,0,0|2,0,0]=4 699 B9R2.5 O=C1CCCC12CC2 F51719 [0,0,0,2,0,0|0,0,2]=4