0 B11R0.3 C=CCCCC#CCC#CCO Amb24431867 [0,0,0,0,0,0|0,0,4]=4 1 B11R0.3 C=CCCCCC#CCCC#C Amb17779515 [0,0,0,0,0,0|1,0,3]=4 2 B11R0.3 C=CCCCCCCCCC=C Amb19944679 [0,0,0,0,0,0|1,0,1]=2 3 B11R0.3 C=CCCCCCCCC[Mg]Br Amb22897280 [0,0,0,0,0,0|2,0,0]=2 4 B11R0.3 C=CCCCCCCCC[Zn]Br Amb22898142 [0,0,0,0,0,0|2,0,0]=2 5 B11R0.3 C=COCCCCCCOC=C Amb22351238 [0,0,0,0,0,0|3,0,1]=4 6 B11R0.3 CCCCCCCCCCCF Amb17939015 [0,0,0,0,0,0|1,0,2]=3 7 B11R0.3 CCCCCCCCCCCS Amb22366963 [0,0,0,0,0,0|0,1,2]=3 8 B11R0.3 CCCCCCCCCCOC Amb21520322 [0,0,0,0,0,0|2,0,1]=3 9 B11R0.3 CCCCCCCCCC[13CH]=[13CH2] Amb22351201 [0,0,0,0,0,0|1,0,0]=1 10 B11R0.3 CCCCCCCCCC[Hg]Cl Amb22359876 [0,0,0,0,0,0|3,0,0]=3 11 B11R0.3 CCCCCCCCCC[Mg]Br Amb22363113 [0,0,0,0,0,0|3,0,0]=3 12 B11R0.3 CCCCCCCCCC[Mg]Cl Amb22737569 [0,0,0,0,0,0|3,0,0]=3 13 B11R0.3 CCCCCCCCCN=C=O Amb22336763 [0,0,0,0,0,0|3,0,1]=4 14 B11R0.3 CCCCCCCCCSCC Amb22359735 [0,0,0,0,0,0|2,0,2]=4 15 B11R0.3 CCCCCCCCNCCN Amb18794624 [0,0,0,0,0,0|2,0,2]=4 16 B11R0.3 CCCCCCCCNCCN Amb22358941 [0,0,0,0,0,0|2,0,2]=4 17 B11R0.3 CCCCCCCCOCC=O Amb18807440 [0,0,0,0,0,0|3,0,0]=3 18 B11R0.3 CCCCCCCCSCC#N Amb10669578 [0,0,0,0,0,0|3,0,1]=4 19 B11R0.3 CCCCCCCCSCCO Amb1032988 [0,0,0,0,0,0|1,0,2]=3 20 B11R0.3 CCCCCCCC\C=C\C=O Amb22045177 [0,0,0,0,0,0|2,0,2]=4 21 B11R0.3 CCCCCCCC\C=C\CO Amb22052644 [0,0,0,0,0,0|0,0,4]=4 22 B11R0.3 CCCCCCCNCCCN Amb18794637 [0,0,0,0,0,0|2,0,2]=4 23 B11R0.3 CCCCCNCCCCOC Amb18808137 [0,0,0,0,0,0|3,0,1]=4 24 B11R0.3 CCCCCOCCOCCO Amb22366805 [0,0,0,0,0,0|2,0,2]=4 25 B11R0.3 CC\C=C/CCCCCCC=O Amb10807471 [0,0,0,0,0,0|2,0,2]=4 26 B11R0.3 CNCCCCCCCCNC Amb22336315 [0,0,0,0,0,0|3,0,1]=4 27 B11R0.3 CNCCNCCCCCCC Amb20140578 [0,0,0,0,0,0|3,0,1]=4 28 B11R0.3 COCCCCCCCCOC Amb21618846 [0,0,0,0,0,0|3,0,1]=4 29 B11R0.3 C\C=C\CCCCCCCCO Amb22641580 [0,0,0,0,0,0|0,0,2]=2 30 B11R0.3 ICCCCCCCCCCI Amb10071532 [0,0,0,0,0,0|2,0,1]=3 31 B11R0.3 NCCCCCCCCCCBr Amb17609917 [0,0,0,0,0,0|2,0,1]=3 32 B11R0.3 NCCCCCCCCCCN Amb22732919 [0,0,0,0,0,0|2,0,1]=3 33 B11R0.3 NCCCCCCCCCCO Amb17607975 [0,0,0,0,0,0|1,0,1]=2 34 B11R0.3 O=CCCCCCCCCCBr Amb21963218 [0,0,0,0,0,0|2,0,0]=2 35 B11R0.3 OCCCCCCCCC#CC Amb10605931 [0,0,0,0,0,0|0,0,3]=3 36 B11R0.3 OCCCCCCCCCCCl Amb10844747 [0,0,0,0,0,0|1,0,1]=2 37 B11R0.3 OCCCCSSCCCCO Amb10562289 [0,0,0,0,0,0|3,0,1]=4 38 B10R0.71 BrCCCCOCCCCBr Amb24064682 [1,0,0,0,0,0|3,0,0]=4 39 B10R0.71 C=CCCCCCCCC=C Amb22729808 [1,0,0,0,0,0|0,0,2]=3 40 B10R0.71 C=CCCCCCCCC=O Amb22734770 [1,0,0,0,0,0|0,0,2]=3 41 B10R0.71 C=CCCCCCCCCCl Amb22898754 [1,0,0,0,0,0|1,0,0]=2 42 B10R0.71 CCCCCCCC#CCO Amb17774678 [1,0,0,0,0,0|0,0,3]=4 43 B10R0.71 CCCCCCCCCNC Amb10609826 [1,0,0,0,0,0|1,0,1]=3 44 B10R0.71 CCCCCCCCCOC Amb2582537 [1,0,0,0,0,0|1,0,1]=3 45 B10R0.71 CCCCCCCCCSC Amb22230926 [1,0,0,0,0,0|1,0,1]=3 46 B10R0.71 CCCCCCCCC[Mg]Br Amb22000598 [1,0,0,0,0,0|2,0,0]=3 47 B10R0.71 CCCCCCCCC[Zn]Br Amb22000508 [1,0,0,0,0,0|2,0,0]=3 48 B10R0.71 CCCCCCCCOC=O Amb22231360 [1,0,0,0,0,0|2,0,0]=3 49 B10R0.71 CCCCCCCCOCBr Amb22733274 [1,0,0,0,0,0|2,0,1]=4 50 B10R0.71 CCCCCCCCOCCl Amb22230404 [1,0,0,0,0,0|2,0,1]=4 51 B10R0.71 CCCCCCCCSC#N Amb17939432 [1,0,0,0,0,0|2,0,1]=4 52 B10R0.71 CCCCCCCCSCC Amb17672979 [1,0,0,0,0,0|1,0,2]=4 53 B10R0.71 CCCCCCC\C=C/CO Amb10563790 [1,0,0,0,0,0|0,0,3]=4 54 B10R0.71 CCCCCCNCCCN Amb17315272 [1,0,0,0,0,0|2,0,1]=4 55 B10R0.71 CCCCCC\C=C\CCO Amb22641690 [1,0,0,0,0,0|0,0,3]=4 56 B10R0.71 CCCCCNCCCCC Amb22359459 [1,0,0,0,0,0|1,0,2]=4 57 B10R0.71 CCCCCNCCCCC Amb22366791 [1,0,0,0,0,0|1,0,2]=4 58 B10R0.71 CCCCCSCCCCN Amb17500943 [1,0,0,0,0,0|2,0,1]=4 59 B10R0.71 CCCCC\C=C\CCC=O Amb10071527 [1,0,0,0,0,0|1,0,2]=4 60 B10R0.71 CCCCC\C=C\CCCO Amb10807437 [1,0,0,0,0,0|0,0,3]=4 61 B10R0.71 CCCCNCCCCCO Amb17334477 [1,0,0,0,0,0|1,0,1]=3 62 B10R0.71 CCNCCCNCCCO Amb20171980 [1,0,0,0,0,0|2,0,1]=4 63 B10R0.71 CCOCCOCOCC=C Amb24090134 [1,0,0,0,0,0|3,0,0]=4 64 B10R0.71 CC\C=C\CCCCCCO Amb22231682 [1,0,0,0,0,0|0,0,3]=4 65 B10R0.71 COCCCCCCCCO Amb17617052 [1,0,0,0,0,0|1,0,1]=3 66 B10R0.71 COCCCNCCCCO Amb17334530 [1,0,0,0,0,0|2,0,1]=4 67 B10R0.71 ICCCCCCCCCI Amb20242392 [1,0,0,0,0,0|2,0,0]=3 68 B10R0.71 N#CCCCCCCCCO Amb22641582 [1,0,0,0,0,0|1,0,1]=3 69 B10R0.71 NCCCCNCCCCN Amb22055385 [1,0,0,0,0,0|3,0,0]=4 70 B10R0.71 NCCCOCCOCCO Amb22292476 [1,0,0,0,0,0|3,0,0]=4 71 B10R0.71 O=CCCCCC\C=C/CC Amb10807429 [1,0,0,0,0,0|1,0,2]=4 72 B10R0.71 OCCCCCCCCC#C Amb16231465 [1,0,0,0,0,0|0,0,2]=3 73 B10R0.71 OCCCCCCCCCCl Amb16234125 [1,0,0,0,0,0|1,0,0]=2 74 B10R0.71 OCCCCNCCCCO Amb21858890 [1,0,0,0,0,0|2,0,0]=3 75 B10R0.71 OCCCCOCCCCO Amb21960124 [1,0,0,0,0,0|2,0,0]=3 76 B10R0.71 OCCNCCCNCCO Amb21858029 [1,0,0,0,0,0|3,0,0]=4 77 B12R0.1 CCCCCCCCC(=O)OC=C Amb17672563 [0,1,0,0,0,0|2,0,1]=4 78 B12R0.1 CCCCCCCCC(C)CCC Amb22734087 [0,1,0,0,0,0|1,0,2]=4 79 B12R0.1 CCCCCCCCS(=O)CCO Amb1085921 [0,1,0,0,0,0|1,0,2]=4 80 B12R0.5 C=CCCCCCCCCCCBr Amb22899287 [0,1,0,0,0,0|1,0,0]=2 81 B12R0.5 C=CCCCCCCCCCCN Amb24120407 [0,1,0,0,0,0|1,0,0]=2 82 B12R0.5 C=CCCCCCCCCC[Mg]Br Amb22897367 [0,1,0,0,0,0|1,0,0]=2 83 B12R0.5 C=CCCCCCCCCC[Zn]Br Amb22897886 [0,1,0,0,0,0|1,0,0]=2 84 B12R0.5 CCCCCCCCCCCCCl Amb22733144 [0,1,0,0,0,0|1,0,2]=4 85 B12R0.5 CCCCCCCCCCCCN Amb22366429 [0,1,0,0,0,0|1,0,2]=4 86 B12R0.5 CCCCCCCCCCCC[14CH3] Amb22352523 [0,1,0,0,0,0|1,0,2]=4 87 B12R0.5 CCCCCCCCCCCC[15NH2] Amb22362752 [0,1,0,0,0,0|1,0,2]=4 88 B12R0.5 CCCCCCCCCCCC[NH3+] Amb22049481 [0,1,0,0,0,0|1,0,2]=4 89 B12R0.5 CCCCCCCCCCC[13CH2]Br Amb22338410 [0,1,0,0,0,0|1,0,2]=4 90 B12R0.5 CCCCCCCCCCC[13CH2]O Amb22362751 [0,1,0,0,0,0|0,0,2]=3 91 B12R0.5 CCCCCCCCCCC[Mg]Br Amb22897368 [0,1,0,0,0,0|1,0,2]=4 92 B12R0.5 CCCCCCCCCCN=C=O Amb22348014 [0,1,0,0,0,0|2,0,1]=4 93 B12R0.5 CCCCCCCCCCOC=C Amb22735088 [0,1,0,0,0,0|1,0,0]=2 94 B12R0.5 CCCCCCCCCCOCC Amb24056425 [0,1,0,0,0,0|1,0,2]=4 95 B12R0.5 CCCCCCCCCC\C=C\Cl Amb22731233 [0,1,0,0,0,0|1,0,0]=2 96 B12R0.5 CCCCCCCCC\C=C\C=O Amb22351858 [0,1,0,0,0,0|1,0,1]=3 97 B12R0.5 CCCCCCCCC\C=C\CO Amb22350397 [0,1,0,0,0,0|0,0,3]=4 98 B12R0.5 CCCCCCCCNCCCN Amb19058864 [0,1,0,0,0,0|1,0,2]=4 99 B12R0.5 CCCCCCCCOCCCN Amb13951369 [0,1,0,0,0,0|1,0,2]=4 100 B12R0.5 CCCCCCCCSCCC#N Amb22358950 [0,1,0,0,0,0|2,0,1]=4 101 B12R0.5 CCCCCCCC\C=C\CC=O Amb22735030 [0,1,0,0,0,0|2,0,1]=4 102 B12R0.5 CCCCCCNCCCCCC Amb22350699 [0,1,0,0,0,0|1,0,2]=4 103 B12R0.5 CCCCCCNCCCCCC Amb22359816 [0,1,0,0,0,0|1,0,2]=4 104 B12R0.5 CCCCCC\C=C/CCCCO Amb22740006 [0,1,0,0,0,0|0,0,3]=4 105 B12R0.5 CCCCCC\C=C\CCCCO Amb22740007 [0,1,0,0,0,0|0,0,3]=4 106 B12R0.5 CCCC\C=C/CCCCCCO Amb10563789 [0,1,0,0,0,0|0,0,3]=4 107 B12R0.5 CCC\C=C/CCCCCCCO Amb20243410 [0,1,0,0,0,0|0,0,3]=4 108 B12R0.5 CCC\C=C\CCCCCCCO Amb22734806 [0,1,0,0,0,0|0,0,3]=4 109 B12R0.5 CCOCCCCCCCCCO Amb22233218 [0,1,0,0,0,0|0,0,2]=3 110 B12R0.5 CC\C=C\CCCCCCCCO Amb22731394 [0,1,0,0,0,0|0,0,2]=3 111 B12R0.5 CNCCCNCCCCCCC Amb20171957 [0,1,0,0,0,0|2,0,1]=4 112 B12R0.5 COCCOCCOCCOC=C Amb24117876 [0,1,0,0,0,0|3,0,0]=4 113 B12R0.5 C\C=C\CCCCCCCCCO Amb22731398 [0,1,0,0,0,0|0,0,0]=1 114 B12R0.5 ICCCCCCCCCCCI Amb22346855 [0,1,0,0,0,0|1,0,2]=4 115 B12R0.5 N#CCCCCCCCCCC#N Amb22734365 [0,1,0,0,0,0|2,0,1]=4 116 B12R0.5 NCCCCCCCCCCCN Amb16233911 [0,1,0,0,0,0|1,0,2]=4 117 B12R0.5 NCCCCCCCCCCCS Amb22336989 [0,1,0,0,0,0|0,1,2]=4 118 B12R0.5 OCCCCCCCCCCC#C Amb10602413 [0,1,0,0,0,0|0,0,2]=3 119 B12R0.5 OCCCCCCCCCCCO Amb15692712 [0,1,0,0,0,0|0,0,2]=3 120 B12R0.5 OCCCOCCCOCCCO Amb10789558 [0,1,0,0,0,0|2,0,1]=4 121 B12R0.5 OCCNCCCCCNCCO Amb24080936 [0,1,0,0,0,0|2,0,1]=4 122 B12R0.5 SCCCCCCCCCCCS Amb22352799 [0,1,0,0,0,0|0,1,2]=4 123 B12R0.206 C=CCOC(=O)NCCCCCO Amb22348076 [0,1,0,0,0,0|2,0,1]=4 124 B12R0.206 CCCCCCCC(=O)OCC=C Amb22338623 [0,1,0,0,0,0|2,0,1]=4 125 B12R0.234 C=CCCCCCCCCC(=O)[O-] Amb10843808 [0,1,0,0,0,0|0,0,2]=3 126 B12R0.234 C=CCCCCCCCCC(O)=O Amb22353389 [0,1,0,0,0,0|0,0,1]=2 127 B12R0.234 C=CCCCCCCCCC(O)=O Amb22731323 [0,1,0,0,0,0|0,0,1]=2 128 B12R0.234 CC(=O)OCCCCCCCC=C Amb22733550 [0,1,0,0,0,0|1,0,2]=4 129 B12R0.234 CC(=O)OCCCCCCCCBr Amb24063233 [0,1,0,0,0,0|2,0,1]=4 130 B12R0.234 CC(C)CCCCCCCCC=O Amb22055859 [0,1,0,0,0,0|2,0,0]=3 131 B12R0.234 CC(C)CCCCCCCCCO Amb22055860 [0,1,0,0,0,0|0,0,2]=3 132 B12R0.234 CCCCCCCCCCB(O)O Amb19958787 [0,1,0,0,0,0|1,0,2]=4 133 B12R0.234 CCCCCCCCCCC(C)Br Amb22338800 [0,1,0,0,0,0|1,0,2]=4 134 B12R0.234 CCCCCCCCCCC(C)C Amb22228876 [0,1,0,0,0,0|1,0,2]=4 135 B12R0.234 CCCCCCCCCC[SiH](C)C Amb19893766 [0,1,0,0,0,0|1,1,1]=4 136 B12R0.234 CCCCCCCCCOC(=O)Cl Amb22732385 [0,1,0,0,0,0|3,0,0]=4 137 B12R0.234 CCCCCCCCCOC([S-])=S Amb19748280 [0,1,0,0,0,0|3,0,0]=4 138 B12R0.234 NCCCCCCCCCC(=O)O Amb2229638 [0,1,0,0,0,0|2,0,0]=3 139 B12R0.248 CCCCCCCCC[C@@H](O)CCl Amb22736721 [0,1,0,0,0,0|1,0,2]=4 140 B12R0.248 CCCCCCCCC[C@H](O)CCl Amb22736722 [0,1,0,0,0,0|1,0,2]=4 141 B12R0.248 OCCCCCCCCC(=O)OC Amb17616943 [0,1,0,0,0,0|1,0,2]=4 142 B12R0.248 OCCCCCCCCC(CO)O Amb10069452 [0,1,0,0,0,0|1,0,1]=3 143 B12R1.8 BrCCCCOC1CCCCO1 Amb10605338 [0,0,0,1,0,0|2,0,1]=4 144 B12R1.8 Br[Mg]CCCOC1CCCCO1 Amb22897359 [0,0,0,1,0,0|3,0,0]=4 145 B12R1.8 Br[Zn]CCCOC1CCCCO1 Amb22897871 [0,0,0,1,0,0|3,0,0]=4 146 B12R1.8 C=CCCCOC1CCCCO1 Amb21961860 [0,0,0,1,0,0|1,0,0]=2 147 B12R1.8 C=CCCCOC1CCNCC1 Amb21957514 [0,0,0,1,0,0|3,0,0]=4 148 B12R1.8 C=CCCCOC1CCNCC1 Amb22011838 [0,0,0,1,0,0|3,0,0]=4 149 B12R1.8 C=CCCCOC1CNCCC1 Amb21957513 [0,0,0,1,0,0|3,0,0]=4 150 B12R1.8 C=CCNCCC1=CCCCC1 Amb17309050 [0,0,0,1,0,0|2,0,1]=4 151 B12R1.8 C=CCOCCC1CCCCN1 Amb21956554 [0,0,0,1,0,0|2,0,0]=3 152 B12R1.8 C=CCOCCC1CCNCC1 Amb21956470 [0,0,0,1,0,0|3,0,0]=4 153 B12R1.8 C=CCOCCC1CNCCC1 Amb21956539 [0,0,0,1,0,0|3,0,0]=4 154 B12R1.8 C=CCSCCC1CCCCN1 Amb17503509 [0,0,0,1,0,0|2,0,0]=3 155 B12R1.8 CCCCCCC1CCCCC1 Amb22230753 [0,0,0,1,0,0|1,0,2]=4 156 B12R1.8 CCCCCCC1CCCCN1 Amb2235857 [0,0,0,1,0,0|1,0,2]=4 157 B12R1.8 CCCC\C=C\C1CCCC=C1 Amb22546770 [0,0,0,1,0,0|1,0,2]=4 158 B12R1.8 ICCCCOC1CCCCO1 Amb22055542 [0,0,0,1,0,0|2,0,1]=4 159 B12R1.8 O=CCCCOC1CCCCO1 Amb17620504 [0,0,0,1,0,0|2,0,0]=3 160 B12R1.8 OCCCCCN1CCCCC1 Amb13883419 [0,0,0,1,0,0|1,0,2]=4 161 B12R1.8 OCCCCOC1CCCCO1 Amb17620505 [0,0,0,1,0,0|2,0,1]=4 162 B12R1.8 OCCNCCC1=CCCCC1 Amb17309067 [0,0,0,1,0,0|1,0,2]=4 163 B12R1.18 C#CCCC1CCCCCC1Cl Amb24650539 [0,0,0,1,0,0|1,0,2]=4 164 B12R1.18 C#CCCC1CCCCCC1O Amb25764667 [0,0,0,1,0,0|0,0,2]=3 165 B12R1.18 C#CCNC1CCCCCC1O Amb18281488 [0,0,0,1,0,0|1,0,2]=4 166 B12R1.18 C=C1CCCCCC1CCCCl Amb24565800 [0,0,0,1,0,0|1,0,0]=2 167 B12R1.18 C=CCCC1CCCCCC1=O Amb24729033 [0,0,0,1,0,0|0,0,2]=3 168 B12R1.18 C=CCCC1CCCCCC1Br Amb24452398 [0,0,0,1,0,0|1,0,0]=2 169 B12R1.18 C=CCCC1CCCCNC1=O Amb24448445 [0,0,0,1,0,0|1,0,2]=4 170 B12R1.18 C=CCNC1CCCCCC1O Amb18970408 [0,0,0,1,0,0|1,0,0]=2 171 B12R1.18 C=CCN[C@@H]1CCCCC[C@H]1O Amb25337651 [0,0,0,1,0,0|1,0,0]=2 172 B12R1.18 C=CCOC1CCCCCC1=O Amb24633444 [0,0,0,1,0,0|1,0,2]=4 173 B12R1.18 C=CCOC1CCCCCC1N Amb25050869 [0,0,0,1,0,0|2,0,0]=3 174 B12R1.18 C=CCSC1CCCCCC1N Amb25338901 [0,0,0,1,0,0|2,0,0]=3 175 B12R1.18 C=CCSC1CCCCCC1O Amb24641065 [0,0,0,1,0,0|1,0,0]=2 176 B12R1.18 C=C\C=C\[C@@H]1CCCCC[C@@H]1O Amb25257167 [0,0,0,1,0,0|0,0,2]=3 177 B12R1.18 CC#CCC1CCCCCC1O Amb18798689 [0,0,0,1,0,0|0,0,3]=4 178 B12R1.18 CC1CCCCCC1NCC=C Amb25305413 [0,0,0,1,0,0|2,0,0]=3 179 B12R1.18 CC1CCSCCN1CCC=C Amb25119807 [0,0,0,1,0,0|3,0,0]=4 180 B12R1.18 CCCCC1CCCCCC1=O Amb18799266 [0,0,0,1,0,0|2,0,0]=3 181 B12R1.18 CCCCC1CCCCCC1N Amb18801599 [0,0,0,1,0,0|1,0,2]=4 182 B12R1.18 CCCCC1CCCCCC1O Amb18806714 [0,0,0,1,0,0|0,0,2]=3 183 B12R1.18 CCCCC1CCCCOC1O Amb25221052 [0,0,0,1,0,0|1,0,2]=4 184 B12R1.18 CCCCC1OCCCCC1O Amb25739706 [0,0,0,1,0,0|1,0,2]=4 185 B12R1.18 CCCC[C@@H]1CCCCC[C@@H]1O Amb24619174 [0,0,0,1,0,0|0,0,2]=3 186 B12R1.18 CCCC[C@@H]1OCCCC[C@H]1O Amb25219271 [0,0,0,1,0,0|1,0,2]=4 187 B12R1.18 CCCNC1CCCCCC1O Amb18289727 [0,0,0,1,0,0|1,0,2]=4 188 B12R1.18 CCCOC1CCCCCC1O Amb18807452 [0,0,0,1,0,0|1,0,2]=4 189 B12R1.18 CN1CCCCCC1CCCN Amb18198764 [0,0,0,1,0,0|2,0,1]=4 190 B12R1.18 COCCC1CCCCCC1=O Amb18801861 [0,0,0,1,0,0|3,0,0]=4 191 B12R1.18 COCCC1CCCCCC1Cl Amb19078434 [0,0,0,1,0,0|2,0,1]=4 192 B12R1.18 COCCC1CCCCCC1N Amb18984575 [0,0,0,1,0,0|2,0,1]=4 193 B12R1.18 COCCC1CCCCCC1O Amb18807461 [0,0,0,1,0,0|1,0,1]=3 194 B12R1.18 COCC[C@@H]1CCCCCC1=O Amb25667371 [0,0,0,1,0,0|3,0,0]=4 195 B12R1.18 COCC[C@H]1CCCCCC1=O Amb25128881 [0,0,0,1,0,0|3,0,0]=4 196 B12R1.18 CSCCC1CCCCCC1=O Amb24342167 [0,0,0,1,0,0|3,0,0]=4 197 B12R1.18 CSCCC1CCCCCC1N Amb25374732 [0,0,0,1,0,0|2,0,1]=4 198 B12R1.18 CSCCC1CCCCCC1O Amb25119109 [0,0,0,1,0,0|1,0,1]=3 199 B12R1.18 CSCOC1CCCCCC1O Amb24440511 [0,0,0,1,0,0|2,0,1]=4 200 B12R1.18 C\C=C\CC1CCCCCC1O Amb24588049 [0,0,0,1,0,0|0,0,2]=3 201 B12R1.18 NC1CCCCCC1OCCO Amb24670858 [0,0,0,1,0,0|2,0,1]=4 202 B12R1.18 NC1CCCCCC1SCCO Amb25805718 [0,0,0,1,0,0|2,0,1]=4 203 B12R1.18 NCCCN1CCCCCC1=O Amb1153735 [0,0,0,1,0,0|3,0,0]=4 204 B12R1.18 NCCNC1CCCCCC1O Amb18986525 [0,0,0,1,0,0|2,0,1]=4 205 B12R1.18 NCCOC1CCCCCC1O Amb25742526 [0,0,0,1,0,0|2,0,1]=4 206 B12R1.18 O=C1CCCCCC1CCCF Amb25692540 [0,0,0,1,0,0|2,0,0]=3 207 B12R1.18 O=C1CCCCCN1CCCS Amb24402028 [0,0,0,1,0,0|2,1,0]=4 208 B12R1.18 OC1CCCCCC1CCCF Amb25204076 [0,0,0,1,0,0|1,0,1]=3 209 B12R1.18 OC1CCCCCC1CCCO Amb25692021 [0,0,0,1,0,0|1,0,1]=3 210 B12R1.18 OC1CCCCCC1NCCO Amb18970453 [0,0,0,1,0,0|2,0,1]=4 211 B12R1.18 OCCCN1CCOCCC1=O Amb25688848 [0,0,0,1,0,0|3,0,0]=4 212 B12R1.18 OCCOC1CCCCC=C1Cl Amb25057819 [0,0,0,1,0,0|2,0,1]=4 213 B12R1.37 C=CCCCCCC1OCCO1 Amb24351682 [0,0,0,1,0,0|1,0,0]=2 214 B12R1.37 C=CCCCOCC1CNCC1 Amb21956721 [0,0,0,1,0,0|3,0,0]=4 215 B12R1.37 CCCCCCCC1OCCO1 Amb25368281 [0,0,0,1,0,0|1,0,2]=4 216 B12R1.37 CNCCCNCC1CCCO1 Amb18803062 [0,0,0,1,0,0|2,0,1]=4 217 B12R1.37 O=CCCCCCC1OCCO1 Amb25835714 [0,0,0,1,0,0|2,0,0]=3 218 B12R1.37 OCCCCCCC1OCCO1 Amb25069706 [0,0,0,1,0,0|2,0,1]=4 219 B12R1.37 OCCCNCCC1CCCC1 Amb18802444 [0,0,0,1,0,0|1,0,2]=4 220 B12R1.45 NCCCCN1CCCC1CO Amb18789797 [0,0,0,1,0,0|2,0,1]=4 221 B12R1.52 C=C1CCCCCCC1CC=O Amb24444868 [0,0,0,1,0,0|0,0,2]=3 222 B12R1.52 C=C1CCCCCCC1N=[N+]=[N-] Amb25311331 [0,0,0,1,0,0|3,0,0]=4 223 B12R1.52 C=CCC1CCC=CCCC1O Amb25037256 [0,0,0,1,0,0|0,0,2]=3 224 B12R1.52 C=CCC1CCCCCCC1=O Amb24584339 [0,0,0,1,0,0|0,0,2]=3 225 B12R1.52 C=CCC1CCCCCNC1=N Amb25339678 [0,0,0,1,0,0|2,0,1]=4 226 B12R1.52 C=CC[C@@H]1CCC=CCC[C@H]1O Amb24639096 [0,0,0,1,0,0|0,0,2]=3 227 B12R1.52 CCCC1CCCCCCC1=O Amb25050208 [0,0,0,1,0,0|2,0,0]=3 228 B12R1.52 CCOC1CCCCCCC1O Amb18807444 [0,0,0,1,0,0|1,0,2]=4 229 B12R1.52 N#CC[C@@H]1CCCCCC[C@@H]1O Amb25345023 [0,0,0,1,0,0|1,0,1]=3 230 B12R1.52 N#CSC1CCCCCCC1O Amb25796281 [0,0,0,1,0,0|2,0,1]=4 231 B12R1.52 N#CS[C@@H]1CCCCCC[C@H]1O Amb24544329 [0,0,0,1,0,0|2,0,1]=4 232 B12R1.52 O=C1CCCCCCN1CCS Amb25734060 [0,0,0,1,0,0|2,1,0]=4 233 B12R1.52 OC1CCCCCCC1\C=C/Cl Amb25109255 [0,0,0,1,0,0|1,0,1]=3 234 B12R1.73 COC1CCCCCCCC1=O Amb24706984 [0,0,0,1,0,0|3,0,0]=4 235 B12R1.73 N#CC1CCCCCCCC1=O Amb25340929 [0,0,0,1,0,0|2,0,1]=4 236 B12R1.73 N=NC1CCCCCCCC1=O Amb24452294 [0,0,0,1,0,0|3,0,0]=4 237 B12R1.73 NCN1CCCCCCCC1=O Amb25152335 [0,0,0,1,0,0|3,0,0]=4 238 B12R1.73 O=C1CCCCCCCN1CCl Amb24391520 [0,0,0,1,0,0|3,0,0]=4 239 B12R1.73 O=CC1CCCCCCCC1=O Amb24381375 [0,0,0,1,0,0|1,0,2]=4 240 B12R1.121 C#CCCN1CCCCC1CO Amb18798881 [0,0,0,1,0,0|1,0,2]=4 241 B12R1.121 C#CCNC1CCCCC1CO Amb24383542 [0,0,0,1,0,0|1,0,2]=4 242 B12R1.121 C#CCN[C@@H]1CCCC[C@H]1CO Amb24339780 [0,0,0,1,0,0|1,0,2]=4 243 B12R1.121 C=CC1CCCCN1CCC#C Amb24749191 [0,0,0,1,0,0|2,0,1]=4 244 B12R1.121 C=CCNC1CCCCC1C#N Amb18300956 [0,0,0,1,0,0|2,0,1]=4 245 B12R1.121 C=C\C=C\[C@@H]1CCCC[C@@H]1CO Amb24752248 [0,0,0,1,0,0|0,0,2]=3 246 B12R1.121 CCC1CCCCC1OCCO Amb18807445 [0,0,0,1,0,0|1,0,2]=4 247 B12R1.121 C\C=C\CN1CCCC[C@H]1CO Amb24404308 [0,0,0,1,0,0|1,0,2]=4 248 B12R1.121 N#CC1CCCCC1CCCCl Amb25189411 [0,0,0,1,0,0|2,0,1]=4 249 B12R1.121 N#CC1CCCCC1NCCO Amb18996806 [0,0,0,1,0,0|2,0,1]=4 250 B12R1.121 N#CCCN1CCCCC1CO Amb18805858 [0,0,0,1,0,0|2,0,1]=4 251 B12R1.121 N#CCNC1CCCCC1CO Amb24411086 [0,0,0,1,0,0|2,0,1]=4 252 B12R1.121 N#CNCC1CCCCC1CO Amb25751517 [0,0,0,1,0,0|2,0,1]=4 253 B12R1.121 OCC1CCCCC1CNC=O Amb24407374 [0,0,0,1,0,0|2,0,0]=3 254 B12R1.121 OCC1CCCCN1C\C=C\Cl Amb25705487 [0,0,0,1,0,0|2,0,1]=4 255 B12R1.150 C=C1CCCC=CCCCC1O Amb25369360 [0,0,0,1,0,0|0,0,2]=3 256 B12R1.150 CC1CCCCCCCCC1=O Amb24645477 [0,0,0,1,0,0|2,0,0]=3 257 B12R1.150 C[C@H]1CCCCCCCCC1=O Amb24456546 [0,0,0,1,0,0|2,0,0]=3 258 B12R1.150 ClC1CCCCCCCCC1Cl Amb25113953 [0,0,0,1,0,0|2,0,1]=4 259 B12R1.150 NC1CCCCCCCCC1O Amb25152507 [0,0,0,1,0,0|1,0,1]=3 260 B12R1.150 N[C@H]1CCCCCCCC[C@H]1O Amb24634302 [0,0,0,1,0,0|1,0,1]=3 261 B12R1.150 O=C1CCCCCCCCC1=O Amb17594209 [0,0,0,1,0,0|1,0,2]=4 262 B12R1.150 O=C1NCCCCCCCC1Cl Amb25295490 [0,0,0,1,0,0|3,0,0]=4 263 B12R1.150 OC1CCCCCCCCC1O Amb17594327 [0,0,0,1,0,0|1,0,1]=3 264 B12R1.150 O[C@H]1CCCCCCCC[C@H]1O Amb17671073 [0,0,0,1,0,0|1,0,1]=3 265 B12R1.169 C#CCN1CCCCC1CCO Amb18805650 [0,0,0,1,0,0|1,0,2]=4 266 B12R1.169 C=CCC1CCCCC1N=[N+]=[N-] Amb25110114 [0,0,0,1,0,0|3,0,0]=4 267 B12R1.169 C=CC[C@H]1CCCC[C@H]1N=[N+]=[N-] Amb24561698 [0,0,0,1,0,0|3,0,0]=4 268 B12R1.169 COCC1CCCCN1CCO Amb21860248 [0,0,0,1,0,0|2,0,1]=4 269 B12R1.169 OCCC1CCCCN1CCCl Amb19041509 [0,0,0,1,0,0|2,0,1]=4 270 B12R1.173 O=CCN1CCCCCCCC1 Amb25840505 [0,0,0,1,0,0|3,0,0]=4 271 B12R1.173 OCCC=1CCCCCCCC1 Amb25332403 [0,0,0,1,0,0|0,0,2]=3 272 B12R1.215 ClC1CCCCCCCCCC1 Amb24634227 [0,0,0,1,0,0|1,0,2]=4 273 B12R1.215 O=C1CCCCCCCCC#C1 Amb25706996 [0,0,0,1,0,0|2,0,1]=4 274 B12R1.215 O=C1CCCCCCCCCO1 Amb22732305 [0,0,0,1,0,0|1,0,0]=2 275 B12R1.215 O=C1CCCCCCNCCN1 Amb25784699 [0,0,0,1,0,0|3,0,0]=4 276 B12R1.215 O=C1CCNCCCCCCN1 Amb25704380 [0,0,0,1,0,0|3,0,0]=4 277 B12R1.215 OC1CCCCCCCC=C=C1 Amb25788216 [0,0,0,1,0,0|0,0,2]=3 278 B12R1.215 OC1CCCCCCCCCC1 Amb24497641 [0,0,0,1,0,0|0,0,2]=3 279 B12R1.215 OC1CCCCCCCCCO1 Amb24352243 [0,0,0,1,0,0|1,0,1]=3 280 B12R1.215 OC1CCCCNCCCCC1 Amb24615660 [0,0,0,1,0,0|1,0,2]=4 281 B12R1.215 S=C1CCCCCCCCCN1 Amb24399743 [0,0,0,1,0,0|2,0,0]=3 282 B12R1.267 BrCCNCC1CCCCC1=O Amb1146038 [0,0,0,1,0,0|3,0,0]=4 283 B12R1.267 C#CCCCC1CCCCC1Br Amb25744302 [0,0,0,1,0,0|1,0,2]=4 284 B12R1.267 C#CCCCC1CCCCC1Cl Amb24376285 [0,0,0,1,0,0|1,0,2]=4 285 B12R1.267 C#CCCCC1CCCCC1O Amb24416932 [0,0,0,1,0,0|0,0,2]=3 286 B12R1.267 C#CCCCC1CNCCC1O Amb24617078 [0,0,0,1,0,0|1,0,2]=4 287 B12R1.267 C#CCCN[C@H]1CCCC[C@@H]1O Amb24618187 [0,0,0,1,0,0|1,0,2]=4 288 B12R1.267 C=C=CCCC1CCCCC1O Amb25686206 [0,0,0,1,0,0|0,0,2]=3 289 B12R1.267 C=CCC#CC1CCCCC1O Amb25098653 [0,0,0,1,0,0|0,0,2]=3 290 B12R1.267 C=CCCCC1CCCCC1=O Amb17594142 [0,0,0,1,0,0|0,0,2]=3 291 B12R1.267 CCCCCC1CCCCC1=O Amb18788895 [0,0,0,1,0,0|2,0,0]=3 292 B12R1.267 CCCCN[C@@H]1CCCC[C@@H]1O Amb23263417 [0,0,0,1,0,0|1,0,2]=4 293 B12R1.267 CN1CCCCC1CNCCO Amb18313081 [0,0,0,1,0,0|2,0,1]=4 294 B12R1.267 CN1CCCCC1COCCO Amb21865692 [0,0,0,1,0,0|2,0,1]=4 295 B12R1.267 COCCNC1CCCCC1O Amb18303814 [0,0,0,1,0,0|2,0,1]=4 296 B12R1.267 COCCN[C@@H]1CCCC[C@@H]1O Amb23263429 [0,0,0,1,0,0|2,0,1]=4 297 B12R1.267 C\C=C\CNC1CCCCC1O Amb24358604 [0,0,0,1,0,0|1,0,2]=4 298 B12R1.267 C\C=C\CN[C@H]1CCCC[C@@H]1O Amb24594550 [0,0,0,1,0,0|1,0,2]=4 299 B12R1.267 N#CCCCC1CCCCC1=O Amb18646376 [0,0,0,1,0,0|2,0,1]=4 300 B12R1.267 N#CCCNC1CCCCC1O Amb18989662 [0,0,0,1,0,0|2,0,1]=4 301 B12R1.267 N#CCCS[C@@H]1CCCC[C@H]1O Amb24618758 [0,0,0,1,0,0|2,0,1]=4 302 B12R1.267 OC1CCCCC1NC\C=C\Cl Amb25769680 [0,0,0,1,0,0|2,0,1]=4 303 B12R1.267 OC\C=C\CC1CCCCC1=O Amb25108064 [0,0,0,1,0,0|1,0,2]=4 304 B12R1.272 OCCCNCCCC1CCC1 Amb23570828 [0,0,0,1,0,0|1,0,2]=4 305 B12R1.281 C=CCC1CCCCCC1CN Amb24763160 [0,0,0,1,0,0|1,0,0]=2 306 B12R1.281 C=CCN1CCCCCC1CCl Amb25703239 [0,0,0,1,0,0|2,0,0]=3 307 B12R1.281 CCC1CCCCCC1CNC Amb24745232 [0,0,0,1,0,0|2,0,1]=4 308 B12R1.281 CCC1CCCCCN1CC=C Amb24354161 [0,0,0,1,0,0|2,0,0]=3 309 B12R1.281 CCC1CCCCCN1CC=O Amb25693680 [0,0,0,1,0,0|3,0,0]=4 310 B12R1.281 CCCC1CCCCCC1CN Amb24540361 [0,0,0,1,0,0|1,0,2]=4 311 B12R1.281 CCCC1CCCCCC1NC Amb18801600 [0,0,0,1,0,0|2,0,1]=4 312 B12R1.281 CCCN1CCCCCC1CO Amb25153989 [0,0,0,1,0,0|1,0,2]=4 313 B12R1.281 CNC1CCCCCC1CC=C Amb18799003 [0,0,0,1,0,0|2,0,0]=3 314 B12R1.281 COCC1CCCCCC1CN Amb25314728 [0,0,0,1,0,0|2,0,1]=4 315 B12R1.281 N#CCN1CCCCCC1CO Amb25113075 [0,0,0,1,0,0|2,0,1]=4 316 B12R1.281 OCC1CCCCCN1CC=O Amb25153991 [0,0,0,1,0,0|2,0,0]=3 317 B12R1.281 OCC1CCCCCN1CCCl Amb25378470 [0,0,0,1,0,0|2,0,1]=4 318 B12R1.281 OCC1CCCCCN1CCS Amb25041598 [0,0,0,1,0,0|2,0,1]=4 319 B12R1.320 CCCN1CCCC1CCCO Amb18807188 [0,0,0,1,0,0|1,0,2]=4 320 B12R1.329 C#CCNC1CCCCCC=C1 Amb25136647 [0,0,0,1,0,0|2,0,1]=4 321 B12R1.329 C=CCCN1CCCCCCC1 Amb25822796 [0,0,0,1,0,0|2,0,0]=3 322 B12R1.329 C=CCNC1CCCCCC=C1 Amb24387264 [0,0,0,1,0,0|2,0,1]=4 323 B12R1.329 CCNCC1CCCCCC=C1 Amb25157900 [0,0,0,1,0,0|2,0,0]=3 324 B12R1.329 CCONC1CCCCCC=C1 Amb25157902 [0,0,0,1,0,0|3,0,0]=4 325 B12R1.329 CNCCC1CCCCCCC1 Amb18563069 [0,0,0,1,0,0|2,0,1]=4 326 B12R1.329 ClCCOC1CCCCCCO1 Amb25258338 [0,0,0,1,0,0|2,0,1]=4 327 B12R1.329 FCCNC1CCCCCC=C1 Amb25669896 [0,0,0,1,0,0|2,0,0]=3 328 B12R1.329 NCCOC1CCCCCC=C1 Amb25334073 [0,0,0,1,0,0|2,0,0]=3 329 B12R1.329 O=CCCN1CCCCCCC1 Amb18789074 [0,0,0,1,0,0|3,0,0]=4 330 B12R1.329 OCCCC1CCCCCCN1 Amb18198426 [0,0,0,1,0,0|1,0,1]=3 331 B12R1.329 OCCCC=1CCCCCCC1 Amb24520643 [0,0,0,1,0,0|0,0,2]=3 332 B12R1.329 OCCNC1CCCCCC=C1 Amb25157875 [0,0,0,1,0,0|1,0,0]=2 333 B12R1.329 OCCSC1CCCCCCC1 Amb25687850 [0,0,0,1,0,0|1,0,2]=4 334 B12R1.372 CCCCCCC1CCOC1=O Amb22230226 [0,0,0,1,0,0|3,0,0]=4 335 B12R1.372 OCC#CCCC1CCCC1=O Amb25838669 [0,0,0,1,0,0|1,0,2]=4 336 B12R1.399 COC1CCCCCCC1CO Amb25048572 [0,0,0,1,0,0|1,0,1]=3 337 B12R1.399 OC[C@@H]1CCCCCC[C@@H]1CO Amb24632149 [0,0,0,1,0,0|1,0,1]=3 338 B12R1.410 CNC1CCCCCCCCC1 Amb13883575 [0,0,0,1,0,0|2,0,1]=4 339 B12R1.1414 C=CCNCC1OCCCCO1 Amb23457034 [0,0,0,1,0,0|2,0,0]=3 340 B12R1.1414 O=CNCCC1CCCCCC1 Amb24692921 [0,0,0,1,0,0|3,0,0]=4 341 B9R0.45 C=CCCCC#CCCO Amb25761992 [2,0,0,0,0,0|0,0,2]=4 342 B9R0.45 C=CCCCCCCCBr Amb19895211 [2,0,0,0,0,0|1,0,0]=3 343 B9R0.45 C=CCCCCCCCN Amb24763980 [2,0,0,0,0,0|1,0,0]=3 344 B9R0.45 C=CCCCCCCCO Amb22733549 [2,0,0,0,0,0|0,0,0]=2 345 B9R0.45 C=CCCCCCC[Zn]Br Amb22898145 [2,0,0,0,0,0|2,0,0]=4 346 B9R0.45 C=CCCCCNCCN Amb25821120 [2,0,0,0,0,0|2,0,0]=4 347 B9R0.45 C=CCCCCNCCO Amb24478970 [2,0,0,0,0,0|1,0,0]=3 348 B9R0.45 C=CCCCNCCCN Amb24656881 [2,0,0,0,0,0|2,0,0]=4 349 B9R0.45 C=CCCCOCCCBr Amb25842130 [2,0,0,0,0,0|2,0,0]=4 350 B9R0.45 C=CCCCOCCCCl Amb24701986 [2,0,0,0,0,0|2,0,0]=4 351 B9R0.45 C=CCCCSCCCF Amb25168450 [2,0,0,0,0,0|2,0,0]=4 352 B9R0.45 C=CCCCSCCCO Amb25325049 [2,0,0,0,0,0|1,0,0]=3 353 B9R0.45 C=CCCNCCCCF Amb25818131 [2,0,0,0,0,0|2,0,0]=4 354 B9R0.45 C=CCCOCCCCCl Amb18798172 [2,0,0,0,0,0|2,0,0]=4 355 B9R0.45 C=CCCOCCCCS Amb24673342 [2,0,0,0,0,0|1,1,0]=4 356 B9R0.45 C=CCNCCCCCBr Amb25169345 [2,0,0,0,0,0|2,0,0]=4 357 B9R0.45 C=CCNCCCCCCl Amb25274553 [2,0,0,0,0,0|2,0,0]=4 358 B9R0.45 C=CCNCCCCCI Amb24479620 [2,0,0,0,0,0|2,0,0]=4 359 B9R0.45 C=CCOCCCCCBr Amb25141774 [2,0,0,0,0,0|2,0,0]=4 360 B9R0.45 C=CCOCCCCCO Amb25792274 [2,0,0,0,0,0|1,0,0]=3 361 B9R0.45 C=CCOCCCCCS Amb25136655 [2,0,0,0,0,0|1,1,0]=4 362 B9R0.45 C=CCOCCOCCO Amb17933929 [2,0,0,0,0,0|2,0,0]=4 363 B9R0.45 C=CCOCCSCCO Amb25177352 [2,0,0,0,0,0|2,0,0]=4 364 B9R0.45 C=COCCCCCCBr Amb25804472 [2,0,0,0,0,0|2,0,0]=4 365 B9R0.45 C=COCCCCCCCl Amb25340486 [2,0,0,0,0,0|2,0,0]=4 366 B9R0.45 CCCCC#CCCCO Amb21962548 [2,0,0,0,0,0|0,0,2]=4 367 B9R0.45 CCCCC=NCCCO Amb24735221 [2,0,0,0,0,0|1,0,1]=4 368 B9R0.45 CCCCCC#CCC=C Amb10563782 [2,0,0,0,0,0|0,0,2]=4 369 B9R0.45 CCCCCC=NCCO Amb25769358 [2,0,0,0,0,0|1,0,1]=4 370 B9R0.45 CCCCCCCC=NO Amb25207893 [2,0,0,0,0,0|1,0,1]=4 371 B9R0.45 CCCCCCCCC[Mg+] Amb22351330 [2,0,0,0,0,0|1,0,0]=3 372 B9R0.45 CCCCCCCCNN Amb22552570 [2,0,0,0,0,0|2,0,0]=4 373 B9R0.45 CCCCCCCCSC Amb10553780 [2,0,0,0,0,0|1,0,1]=4 374 B9R0.45 CCCCCCCCSCl Amb25226772 [2,0,0,0,0,0|2,0,0]=4 375 B9R0.45 CCCCCCCCS[Au] Amb22354036 [2,0,0,0,0,0|2,0,0]=4 376 B9R0.45 CCCCCCCC[13C]#[13CH] Amb22338942 [2,0,0,0,0,0|0,0,2]=4 377 B9R0.45 CCCCCCCC[Hg]Cl Amb22359875 [2,0,0,0,0,0|2,0,0]=4 378 B9R0.45 CCCCCCCC[Mg]Br Amb22363181 [2,0,0,0,0,0|2,0,0]=4 379 B9R0.45 CCCCCCCC[Mg]Cl Amb22349193 [2,0,0,0,0,0|2,0,0]=4 380 B9R0.45 CCCCCCCOC=C Amb25817973 [2,0,0,0,0,0|1,0,0]=3 381 B9R0.45 CCCCCCCOCCl Amb25709280 [2,0,0,0,0,0|2,0,0]=4 382 B9R0.45 CCCCCCC\C=C\Cl Amb25322197 [2,0,0,0,0,0|1,0,1]=4 383 B9R0.45 CCCCCCC\C=C\I Amb24708038 [2,0,0,0,0,0|1,0,1]=4 384 B9R0.45 CCCCCCNCCF Amb25676977 [2,0,0,0,0,0|2,0,0]=4 385 B9R0.45 CCCCCCNCCS Amb24692640 [2,0,0,0,0,0|1,1,0]=4 386 B9R0.45 CCCCCCOCC=C Amb17933923 [2,0,0,0,0,0|1,0,0]=3 387 B9R0.45 CCCCCCSCC=C Amb22733767 [2,0,0,0,0,0|1,0,0]=3 388 B9R0.45 CCCCCCSCCCl Amb22228746 [2,0,0,0,0,0|2,0,0]=4 389 B9R0.45 CCCCCC\C=C/C=C Amb22641680 [2,0,0,0,0,0|0,0,2]=4 390 B9R0.45 CCCCCC\C=C/CO Amb10807383 [2,0,0,0,0,0|0,0,2]=4 391 B9R0.45 CCCCCC\C=C\CO Amb22168300 [2,0,0,0,0,0|0,0,2]=4 392 B9R0.45 CCCCCNCCCCl Amb24733861 [2,0,0,0,0,0|2,0,0]=4 393 B9R0.45 CCCCCNCCCI Amb24747725 [2,0,0,0,0,0|2,0,0]=4 394 B9R0.45 CCCCCNCCCN Amb17315271 [2,0,0,0,0,0|2,0,0]=4 395 B9R0.45 CCCCCNOCC=C Amb25359199 [2,0,0,0,0,0|2,0,0]=4 396 B9R0.45 CCCCCOCCCS Amb25730351 [2,0,0,0,0,0|1,1,0]=4 397 B9R0.45 CCCCCSCCC=C Amb25120497 [2,0,0,0,0,0|1,0,0]=3 398 B9R0.45 CCCCCSCCCBr Amb24675807 [2,0,0,0,0,0|2,0,0]=4 399 B9R0.45 CCCCCSCCCC Amb25119856 [2,0,0,0,0,0|1,0,1]=4 400 B9R0.45 CCCCCSCCCN Amb17500694 [2,0,0,0,0,0|2,0,0]=4 401 B9R0.45 CCCCCSCCCO Amb17502837 [2,0,0,0,0,0|1,0,0]=3 402 B9R0.45 CCCCNCCCCCl Amb25349351 [2,0,0,0,0,0|2,0,0]=4 403 B9R0.45 CCCCNCCCCN Amb17334221 [2,0,0,0,0,0|2,0,0]=4 404 B9R0.45 CCCCOCCCC=C Amb25662912 [2,0,0,0,0,0|1,0,0]=3 405 B9R0.45 CCCCOCCCCCl Amb18798377 [2,0,0,0,0,0|2,0,0]=4 406 B9R0.45 CCCCOCCCCO Amb19375051 [2,0,0,0,0,0|1,0,0]=3 407 B9R0.45 CCCCOCCOC=C Amb22363292 [2,0,0,0,0,0|2,0,0]=4 408 B9R0.45 CCCCOCOCCO Amb24414113 [2,0,0,0,0,0|2,0,0]=4 409 B9R0.45 CCCCSCCCC=C Amb24482054 [2,0,0,0,0,0|1,0,0]=3 410 B9R0.45 CCCCSCCCCCl Amb18184911 [2,0,0,0,0,0|2,0,0]=4 411 B9R0.45 CCCC[SnH2]CCCCN Amb22504059 [2,0,0,0,0,0|2,0,0]=4 412 B9R0.45 CCCNCCCCCCl Amb24472566 [2,0,0,0,0,0|2,0,0]=4 413 B9R0.45 CCCNCCCCCO Amb17334254 [2,0,0,0,0,0|1,0,0]=3 414 B9R0.45 CCCNCCNCC=C Amb25075002 [2,0,0,0,0,0|2,0,0]=4 415 B9R0.45 CCCNCCNCCO Amb24644910 [2,0,0,0,0,0|2,0,0]=4 416 B9R0.45 CCCNCCSCC=C Amb24449067 [2,0,0,0,0,0|2,0,0]=4 417 B9R0.45 CCCOCCCCCS Amb24475512 [2,0,0,0,0,0|1,1,0]=4 418 B9R0.45 CCCOCCOCCO Amb22351569 [2,0,0,0,0,0|2,0,0]=4 419 B9R0.45 CCCONCCCC=C Amb25707203 [2,0,0,0,0,0|2,0,0]=4 420 B9R0.45 CCCONCCCCO Amb24398863 [2,0,0,0,0,0|2,0,0]=4 421 B9R0.45 CCCSCCCCCN Amb18792401 [2,0,0,0,0,0|2,0,0]=4 422 B9R0.45 CCCSCCCCCO Amb18800675 [2,0,0,0,0,0|1,0,0]=3 423 B9R0.45 CCCSCCNCC=C Amb18797757 [2,0,0,0,0,0|2,0,0]=4 424 B9R0.45 CCCSCCOCCO Amb18792609 [2,0,0,0,0,0|2,0,0]=4 425 B9R0.45 CCNCCCCCCCl Amb24613632 [2,0,0,0,0,0|2,0,0]=4 426 B9R0.45 CCNCCCCCCF Amb25686439 [2,0,0,0,0,0|2,0,0]=4 427 B9R0.45 CCNCCCCCCI Amb24481103 [2,0,0,0,0,0|2,0,0]=4 428 B9R0.45 CCNCCCCCCN Amb25855319 [2,0,0,0,0,0|2,0,0]=4 429 B9R0.45 CCNCCCCCCO Amb24683613 [2,0,0,0,0,0|1,0,0]=3 430 B9R0.45 CCNCCCOCC=C Amb24441883 [2,0,0,0,0,0|2,0,0]=4 431 B9R0.45 CCNCCCOCCO Amb25687058 [2,0,0,0,0,0|2,0,0]=4 432 B9R0.45 CCNCCCSCC=C Amb25080841 [2,0,0,0,0,0|2,0,0]=4 433 B9R0.45 CCNCCOCCC=C Amb25365870 [2,0,0,0,0,0|2,0,0]=4 434 B9R0.45 CCNCCOCCCO Amb25320517 [2,0,0,0,0,0|2,0,0]=4 435 B9R0.45 CCNCCSCCCO Amb25046236 [2,0,0,0,0,0|2,0,0]=4 436 B9R0.45 CCOCCCCCC=O Amb25724799 [2,0,0,0,0,0|2,0,0]=4 437 B9R0.45 CCOCCCCCCBr Amb25299496 [2,0,0,0,0,0|2,0,0]=4 438 B9R0.45 CCOCCCCCCCl Amb18800872 [2,0,0,0,0,0|2,0,0]=4 439 B9R0.45 CCOCCCCCCI Amb25085906 [2,0,0,0,0,0|2,0,0]=4 440 B9R0.45 CCOCCCCCCN Amb24388111 [2,0,0,0,0,0|2,0,0]=4 441 B9R0.45 CCOCCCCCCO Amb25074993 [2,0,0,0,0,0|1,0,0]=3 442 B9R0.45 CCOCCCSCC=C Amb25851910 [2,0,0,0,0,0|2,0,0]=4 443 B9R0.45 CCSCCCCCC=O Amb25205442 [2,0,0,0,0,0|2,0,0]=4 444 B9R0.45 CCSCCCCCCBr Amb25822578 [2,0,0,0,0,0|2,0,0]=4 445 B9R0.45 CCSCCCCCCCl Amb18186755 [2,0,0,0,0,0|2,0,0]=4 446 B9R0.45 CCSCCCCCCN Amb24482109 [2,0,0,0,0,0|2,0,0]=4 447 B9R0.45 CCSCCCNCCO Amb24380672 [2,0,0,0,0,0|2,0,0]=4 448 B9R0.45 CCSCCCSCCO Amb24376336 [2,0,0,0,0,0|2,0,0]=4 449 B9R0.45 CNCCCCCCCCl Amb25809475 [2,0,0,0,0,0|2,0,0]=4 450 B9R0.45 CNCCCCOCC=C Amb24476920 [2,0,0,0,0,0|2,0,0]=4 451 B9R0.45 CNCCCNCCC=C Amb25739865 [2,0,0,0,0,0|2,0,0]=4 452 B9R0.45 CNCCCNCCCO Amb20171918 [2,0,0,0,0,0|2,0,0]=4 453 B9R0.45 CNCCCSCCCO Amb25110847 [2,0,0,0,0,0|2,0,0]=4 454 B9R0.45 CNCCNCCCCO Amb25785280 [2,0,0,0,0,0|2,0,0]=4 455 B9R0.45 COCCCCCCCBr Amb25122735 [2,0,0,0,0,0|2,0,0]=4 456 B9R0.45 COCCCCCCCO Amb25315004 [2,0,0,0,0,0|1,0,0]=3 457 B9R0.45 COCCCCNCC=C Amb24607244 [2,0,0,0,0,0|2,0,0]=4 458 B9R0.45 COCCCCSCCO Amb25841523 [2,0,0,0,0,0|2,0,0]=4 459 B9R0.45 COCCCNCCCO Amb17308606 [2,0,0,0,0,0|2,0,0]=4 460 B9R0.45 COCCCOCCCO Amb20242414 [2,0,0,0,0,0|2,0,0]=4 461 B9R0.45 COCCCSCCCO Amb25041322 [2,0,0,0,0,0|2,0,0]=4 462 B9R0.45 COCCNCCCCO Amb17334271 [2,0,0,0,0,0|2,0,0]=4 463 B9R0.45 CSCCCCCCCCl Amb25032475 [2,0,0,0,0,0|2,0,0]=4 464 B9R0.45 CSCCCCCCCO Amb24378634 [2,0,0,0,0,0|1,0,0]=3 465 B9R0.45 CSCCCCNCC=C Amb25147739 [2,0,0,0,0,0|2,0,0]=4 466 B9R0.45 CSCCCCNCCO Amb24423555 [2,0,0,0,0,0|2,0,0]=4 467 B9R0.45 CSCCCSCCC=C Amb25169431 [2,0,0,0,0,0|2,0,0]=4 468 B9R0.45 CSCCNCCCCO Amb25703017 [2,0,0,0,0,0|2,0,0]=4 469 B9R0.45 CSCCSCCCCO Amb24356155 [2,0,0,0,0,0|2,0,0]=4 470 B9R0.45 C\C=C\CCCCCCC Amb22730483 [2,0,0,0,0,0|0,0,2]=4 471 B9R0.45 FCCCCCCCCF Amb22641491 [2,0,0,0,0,0|2,0,0]=4 472 B9R0.45 ICCCCCCCCI Amb20242379 [2,0,0,0,0,0|2,0,0]=4 473 B9R0.45 NCCCCCCCCBr Amb24744173 [2,0,0,0,0,0|2,0,0]=4 474 B9R0.45 NCCCCCCCCCl Amb25147234 [2,0,0,0,0,0|2,0,0]=4 475 B9R0.45 NCCCCCCCCF Amb25063266 [2,0,0,0,0,0|2,0,0]=4 476 B9R0.45 NCCCCCCCCO Amb24116967 [2,0,0,0,0,0|1,0,0]=3 477 B9R0.45 NCCCCCCCCS Amb25757074 [2,0,0,0,0,0|1,1,0]=4 478 B9R0.45 NCCCCCOCCO Amb24456752 [2,0,0,0,0,0|2,0,0]=4 479 B9R0.45 NCCCCSCCCO Amb17500966 [2,0,0,0,0,0|2,0,0]=4 480 B9R0.45 NCCCNCCCCO Amb24561165 [2,0,0,0,0,0|2,0,0]=4 481 B9R0.45 NCCCSCCCCO Amb24546562 [2,0,0,0,0,0|2,0,0]=4 482 B9R0.45 NCCOCCCCCO Amb24433692 [2,0,0,0,0,0|2,0,0]=4 483 B9R0.45 NCCSCCCCCO Amb18183510 [2,0,0,0,0,0|2,0,0]=4 484 B9R0.45 O=CCCCCCCCF Amb25075653 [2,0,0,0,0,0|2,0,0]=4 485 B9R0.45 OCCCCCCCC#C Amb10563785 [2,0,0,0,0,0|0,0,2]=4 486 B9R0.45 OCCCCCCCC=O Amb25765567 [2,0,0,0,0,0|1,0,0]=3 487 B9R0.45 OCCCCCCCCF Amb25330666 [2,0,0,0,0,0|1,0,0]=3 488 B9R0.45 OCCCCCCNC=O Amb24452880 [2,0,0,0,0,0|2,0,0]=4 489 B9R0.45 OCCCCCNCC=C Amb17334217 [2,0,0,0,0,0|1,0,0]=3 490 B9R0.45 OCCCCCNCCF Amb25697650 [2,0,0,0,0,0|2,0,0]=4 491 B9R0.45 OCCCCCSCCS Amb25682475 [2,0,0,0,0,0|2,0,0]=4 492 B9R0.45 OCCCCC\C=C/CC Amb10807384 [2,0,0,0,0,0|0,0,2]=4 493 B9R0.45 OCCCCNCCCF Amb25065751 [2,0,0,0,0,0|2,0,0]=4 494 B9R0.45 OCCNCCCCCO Amb25771811 [2,0,0,0,0,0|2,0,0]=4 495 B9R0.45 OCCOCCCCCCl Amb25368354 [2,0,0,0,0,0|2,0,0]=4 496 B9R0.45 OCCSCCCCCF Amb25800644 [2,0,0,0,0,0|2,0,0]=4 497 B9R0.45 OCCSCCCCCO Amb18800854 [2,0,0,0,0,0|2,0,0]=4 498 B9R0.45 [NH3+]CCCCCCCC[NH3+] Amb16234024 [2,0,0,0,0,0|2,0,0]=4 499 B11R0.4 CCCCCCCC(=O)OC=C Amb17672562 [1,1,0,0,0,0|1,0,1]=4 500 B11R0.4 CCCCCCCC(O)CCC Amb18803156 [1,1,0,0,0,0|0,0,2]=4 501 B11R0.40 CCCCCCCCC(C#N)C Amb17614640 [1,1,0,0,0,0|1,0,1]=4 502 B11R0.40 CCCCCCCCC(C)C=O Amb22730336 [1,1,0,0,0,0|1,0,0]=3 503 B11R0.40 CCCCCCCCC(C)CC Amb22729013 [1,1,0,0,0,0|0,0,2]=4 504 B11R0.40 CCCCCCCCC(C)[Mg]Br Amb22897281 [1,1,0,0,0,0|2,0,0]=4 505 B11R0.40 CCCCCCCCC(C)[Zn]Br Amb22897739 [1,1,0,0,0,0|2,0,0]=4 506 B11R0.40 CCCCCCCCC(O)CC Amb18803155 [1,1,0,0,0,0|0,0,2]=4 507 B11R0.40 CCCCCCCCS(=O)C=C Amb1032994 [1,1,0,0,0,0|1,0,0]=3 508 B11R0.40 CCCCCCCC[C@@H](O)CCl Amb22736715 [1,1,0,0,0,0|1,0,1]=4 509 B11R0.40 CCCCCCCC[C@H](O)CCl Amb22736716 [1,1,0,0,0,0|1,0,1]=4 510 B11R0.40 CCCCCCCOC(=O)C=C Amb17934060 [1,1,0,0,0,0|1,0,1]=4 511 B11R0.40 OCCCCCCCC(O)CO Amb24325369 [1,1,0,0,0,0|1,0,0]=3 512 B11R0.81 CCCCC(O)CCCCCC Amb22045161 [1,1,0,0,0,0|0,0,2]=4 513 B11R0.140 C=CCCCC(O)CCCC=C Amb22892833 [1,1,0,0,0,0|0,0,2]=4 514 B11R0.140 CCCCCC(CCCCC)Br Amb10553280 [1,1,0,0,0,0|0,0,2]=4 515 B11R0.148 CC(C)CCCCCCCC=O Amb22055758 [1,1,0,0,0,0|1,0,0]=3 516 B11R0.148 CC(C)CCCCCCCCO Amb22055759 [1,1,0,0,0,0|0,0,1]=3 517 B11R0.148 CCCCCCCCC=C(C)C Amb22899462 [1,1,0,0,0,0|0,0,2]=4 518 B11R0.148 CCCCCCCCCC(C)C Amb22043228 [1,1,0,0,0,0|0,0,2]=4 519 B11R0.148 CCCCCCCCCC([O-])=O Amb22733551 [1,1,0,0,0,0|1,0,0]=3 520 B11R0.148 CCCCCCCCCN(C)C Amb22360719 [1,1,0,0,0,0|1,0,1]=4 521 B11R0.148 CCCCCCCCC[13C](O)=O Amb22353426 [1,1,0,0,0,0|1,0,0]=3 522 B11R0.148 CCCCCCCCC[C@H](C)O Amb20240616 [1,1,0,0,0,0|0,0,1]=3 523 B11R0.148 CCCCCCCCNC(=O)C Amb10562300 [1,1,0,0,0,0|1,0,1]=4 524 B11R0.148 CCCCCCCCNC(=S)N Amb1152183 [1,1,0,0,0,0|2,0,0]=4 525 B11R0.148 CCCCCCCCNC(N)=N Amb22338463 [1,1,0,0,0,0|2,0,0]=4 526 B11R0.148 CCCCCCCCOC([S-])=S Amb22334140 [1,1,0,0,0,0|2,0,0]=4 527 B11R0.148 CCCCCCCC[13CH2][13C](O)=O Amb22054843 [1,1,0,0,0,0|1,0,0]=3 528 B11R0.148 CCCCCCCNCC(O)=O Amb19373457 [1,1,0,0,0,0|2,0,0]=4 529 B11R0.148 CCCCSCCCCC(=O)O Amb1032990 [1,1,0,0,0,0|2,0,0]=4 530 B11R0.148 CN(C)CCCCCCCCO Amb22733872 [1,1,0,0,0,0|1,0,1]=4 531 B11R0.148 OC(=O)CCCCCCCC=O Amb17939414 [1,1,0,0,0,0|1,0,1]=4 532 B11R0.148 [13CH3]CCCCCCCCC(O)=O Amb22367552 [1,1,0,0,0,0|1,0,0]=3 533 B13R0.2 CCCCCCCCCC(=O)OC=C Amb17672564 [0,2,0,0,0,0|1,0,1]=4 534 B13R0.2 CCCCCCCCCC(O)CCO Amb24081769 [0,2,0,0,0,0|0,0,2]=4 535 B13R0.66 CCCCCCCCC(=O)OCC=C Amb22353469 [0,2,0,0,0,0|1,0,1]=4 536 B13R0.66 CCCCCCCCS(=O)CCCO Amb1085915 [0,2,0,0,0,0|0,0,2]=4 537 B13R0.335 CCCCCCCCC(O)CC(O)=O Amb21928763 [0,2,0,0,0,0|2,0,0]=4 538 B13R0.340 CCCCCCCCC(F)[C@@H](O)CO Amb24122594 [0,2,0,0,0,0|0,0,2]=4 539 B13R0.54 BrCCCCCCCCCCC(=O)N Amb16207966 [0,2,0,0,0,0|1,0,1]=4 540 B13R0.54 C=CCCCCCCCCOC(=O)C Amb10563791 [0,2,0,0,0,0|0,0,2]=4 541 B13R0.54 CC(C)CCCCCCCCCC=O Amb22055766 [0,2,0,0,0,0|1,0,1]=4 542 B13R0.54 CC(C)CCCCCCCCCCO Amb22055767 [0,2,0,0,0,0|0,0,2]=4 543 B13R0.54 CC(C)CCCCCCCCCCO Amb22730980 [0,2,0,0,0,0|0,0,2]=4 544 B13R0.54 CCCCCCCCCC=CC(=O)O Amb13952752 [0,2,0,0,0,0|1,0,1]=4 545 B13R0.54 CCCCCCCCCCCC(=C)Br Amb19886460 [0,2,0,0,0,0|1,0,0]=3 546 B13R0.54 CCCCCCCCCCCC(=N)N Amb10568321 [0,2,0,0,0,0|1,0,1]=4 547 B13R0.54 CCCCCCCCCCCC(=S)N Amb13953232 [0,2,0,0,0,0|1,0,1]=4 548 B13R0.54 CCCCCCCCCCCC(C)=C Amb19886457 [0,2,0,0,0,0|1,0,0]=3 549 B13R0.54 CCCCCCCCCCCC(O)=O Amb22348404 [0,2,0,0,0,0|0,0,2]=4 550 B13R0.54 CCCCCCCCCCCC(O)=O Amb22730643 [0,2,0,0,0,0|0,0,2]=4 551 B13R0.54 CCCCCCCCCCCC([O-])=O Amb17942849 [0,2,0,0,0,0|1,0,1]=4 552 B13R0.54 CCCCCCCCCCCC([O-])=O Amb22729066 [0,2,0,0,0,0|1,0,1]=4 553 B13R0.54 CCCCCCCCCCCC([O-])=O Amb22730602 [0,2,0,0,0,0|1,0,1]=4 554 B13R0.54 CCCCCCCCCCCC([O-])=O Amb22730786 [0,2,0,0,0,0|1,0,1]=4 555 B13R0.54 CCCCCCCCCCCC([O-])=O Amb22731774 [0,2,0,0,0,0|1,0,1]=4 556 B13R0.54 CCCCCCCCCCCC([O-])=O Amb22731775 [0,2,0,0,0,0|1,0,1]=4 557 B13R0.54 CCCCCCCCCCCC([O-])=O Amb22733752 [0,2,0,0,0,0|1,0,1]=4 558 B13R0.54 CCCCCCCCCCC[13C](O)=O Amb21928681 [0,2,0,0,0,0|0,0,2]=4 559 B13R0.54 CCCCCCCCCCC[14C](O)=O Amb22349630 [0,2,0,0,0,0|0,0,2]=4 560 B13R0.54 CCCCCCCCCCNC(=O)N Amb2228230 [0,2,0,0,0,0|2,0,0]=4 561 B13R0.54 CCCCCCCCCCOC(=O)Cl Amb22337976 [0,2,0,0,0,0|2,0,0]=4 562 B13R0.54 CCCCCCCCCCOC([S-])=S Amb22334119 [0,2,0,0,0,0|2,0,0]=4 563 B13R0.54 CCCCCCCCCC[13CH2]C(O)=O Amb22353612 [0,2,0,0,0,0|0,0,2]=4 564 B13R0.54 CCCCCCCCCC[13CH2][13C](O)=O Amb22353611 [0,2,0,0,0,0|0,0,2]=4 565 B13R0.54 CCCCCCCCSCCC(=O)N Amb10669601 [0,2,0,0,0,0|2,0,0]=4 566 B13R0.54 CCCCCCCCSCCC(=O)O Amb1038994 [0,2,0,0,0,0|2,0,0]=4 567 B13R0.54 CCCCCCCC[13CH2][13CH2][13CH2][13C](O)=O Amb22353609 [0,2,0,0,0,0|0,0,2]=4 568 B13R0.54 CCCCSCCCCCCC(=O)O Amb1036584 [0,2,0,0,0,0|2,0,0]=4 569 B13R0.54 N#CCCCCCCCCCC(O)=O Amb22547629 [0,2,0,0,0,0|1,0,1]=4 570 B13R0.54 NC(=[NH2+])SCCCCCCCCCO Amb22054616 [0,2,0,0,0,0|1,0,0]=3 571 B13R0.54 NCCCCCCCCCCC(=O)Cl Amb17143769 [0,2,0,0,0,0|1,0,1]=4 572 B13R0.54 NCCCCCCCCCCC([O-])=O Amb22353821 [0,2,0,0,0,0|1,0,1]=4 573 B13R0.54 OCCCCCCCCCCC(=O)O Amb1814707 [0,2,0,0,0,0|0,0,1]=3 574 B13R0.54 [13CH3]CCCCCCCCCCC(O)=O Amb22353502 [0,2,0,0,0,0|0,0,2]=4 575 B13R0.54 [13CH3]CCCCCCCCCC[13C](O)=O Amb22353610 [0,2,0,0,0,0|0,0,2]=4 576 B13R0.147 CCCCCCCCCCC(=O)C=O Amb24084923 [0,2,0,0,0,0|1,0,0]=3 577 B13R0.147 CCCCCCCCCCC(O)CC Amb22229414 [0,2,0,0,0,0|0,0,2]=4 578 B13R0.147 CCCCCCCCCCC(O)CO Amb22002456 [0,2,0,0,0,0|0,0,2]=4 579 B13R0.147 CCCCCCCCCOC(=O)C=C Amb20670989 [0,2,0,0,0,0|1,0,1]=4 580 B13R0.147 OCCCCCCCCCC(=O)OC Amb13887310 [0,2,0,0,0,0|0,0,1]=3 581 B13R0.336 C=CCCCCCCCCCCC=C Amb22227679 [0,2,0,0,0,0|1,0,0]=3 582 B13R0.336 CCCCCCCCCCCCON Amb24117984 [0,2,0,0,0,0|0,0,2]=4 583 B13R0.336 CCCCCCCCCCSCCO Amb1032989 [0,2,0,0,0,0|0,0,2]=4 584 B13R0.336 CCCCCCCCCC\C=C\C=O Amb22351314 [0,2,0,0,0,0|1,0,0]=3 585 B13R0.336 CCCCCCCCCC\C=C\CO Amb22336246 [0,2,0,0,0,0|1,0,0]=3 586 B13R0.336 COCCCCCCCCNCCS Amb24087352 [0,2,0,0,0,0|1,0,1]=4 587 B13R0.336 COCCCOCCCOCCCO Amb22348070 [0,2,0,0,0,0|1,0,1]=4 588 B13R0.336 NCCCCCCCCCCCCO Amb17608041 [0,2,0,0,0,0|0,0,2]=4 589 B13R0.336 OCCCCCCCCCCN=[N+]=[N-] Amb17608636 [0,2,0,0,0,0|1,0,1]=4 590 B13R0.336 OC\C=C\CCCCCCCCCBr Amb22347650 [0,2,0,0,0,0|1,0,0]=3 591 B13R0.154 CCCCCCCC(O)CCC(O)=O Amb22058992 [0,2,0,0,0,0|2,0,0]=4 592 B13R0.154 CCCCCCCC(O)CCC([O-])=O Amb19148937 [0,2,0,0,0,0|2,0,0]=4 593 B13R0.150 CC(CCCCCCCCO)C(O)=O Amb20246737 [0,2,0,0,0,0|1,0,0]=3 594 B13R0.150 CCCCCCCCCC(C)C(O)=O Amb18320092 [0,2,0,0,0,0|2,0,0]=4 595 B13R0.150 CCCCCCCCCC(O)C(O)=O Amb22224801 [0,2,0,0,0,0|2,0,0]=4 596 B13R0.179 CC(C)CCCCCCCCC(O)=O Amb21928890 [0,2,0,0,0,0|2,0,0]=4 597 B13R0.179 CC(CCCCCCCCC(=O)O)N Amb2229643 [0,2,0,0,0,0|2,0,0]=4 598 B13R0.179 OC(=O)CCCCCCCCC(O)=O Amb22264826 [0,2,0,0,0,0|1,0,1]=4 599 B13R0.179 OC(=O)CCCCCCCCC(O)=O Amb22351881 [0,2,0,0,0,0|1,0,1]=4 600 B13R0.179 OC(=O)CCCCCCCCC(O)=O Amb22369048 [0,2,0,0,0,0|1,0,1]=4 601 B13R0.202 CCC(C)CCCCCCCC(O)=O Amb21928874 [0,2,0,0,0,0|2,0,0]=4 602 B13R0.202 CCC(CCCCCCCC(=O)O)N Amb2229644 [0,2,0,0,0,0|2,0,0]=4 603 B13R0.202 OC(=O)CCCCCCCC(F)CBr Amb22547613 [0,2,0,0,0,0|2,0,0]=4 604 B13R0.280 [2H]C([2H])([2H])CCCCCCCCCO Amb21928619 [0,2,0,0,0,0|1,0,1]=4 605 B11R1.4 C=CCCCCC1OCCO1 Amb25757926 [1,0,0,1,0,0|1,0,0]=3 606 B11R1.4 C=CCCCOC1CNCC1 Amb21956318 [1,0,0,1,0,0|2,0,0]=4 607 B11R1.4 CCCCCCC1CCCN1 Amb17659150 [1,0,0,1,0,0|1,0,1]=4 608 B11R1.4 CCCCCCC1CCCO1 Amb10558596 [1,0,0,1,0,0|0,0,1]=3 609 B11R1.4 ClCCCNCC1CCCO1 Amb20414361 [1,0,0,1,0,0|2,0,0]=4 610 B11R1.4 NCCCNCC1CCCO1 Amb17315282 [1,0,0,1,0,0|2,0,0]=4 611 B11R1.4 NCCCOCC1CCCO1 Amb1154666 [1,0,0,1,0,0|2,0,0]=4 612 B11R1.4 O=CCCCCC1OCCO1 Amb24359153 [1,0,0,1,0,0|2,0,0]=4 613 B11R1.4 O=COCCCC1CCCO1 Amb22365098 [1,0,0,1,0,0|2,0,0]=4 614 B11R1.4 OCCCCCC1OCCO1 Amb25697556 [1,0,0,1,0,0|2,0,0]=4 615 B11R1.4 OCCCCNC1CCCC1 Amb17334419 [1,0,0,1,0,0|1,0,1]=4 616 B11R1.4 OCCCCOC1CCCO1 Amb22641876 [1,0,0,1,0,0|2,0,0]=4 617 B11R1.4 OCCNCCC1CCCC1 Amb18791847 [1,0,0,1,0,0|1,0,1]=4 618 B11R1.5 C#CCC1CCCCCC1O Amb18182808 [1,0,0,1,0,0|0,0,2]=4 619 B11R1.5 C=CCC1C=CCCCC1O Amb24380000 [1,0,0,1,0,0|0,0,2]=4 620 B11R1.5 C=CCC1CCCCCC1=O Amb18181756 [1,0,0,1,0,0|0,0,2]=4 621 B11R1.5 C=CCC1CCCCCC1Br Amb25277926 [1,0,0,1,0,0|1,0,0]=3 622 B11R1.5 C=CCC1CCCCCC1Cl Amb18185761 [1,0,0,1,0,0|1,0,0]=3 623 B11R1.5 C=CCC1CCCCCC1N Amb18286582 [1,0,0,1,0,0|1,0,0]=3 624 B11R1.5 C=CCC1CCCCCC1O Amb18182944 [1,0,0,1,0,0|0,0,0]=2 625 B11R1.5 C=CCC1OCCCCC1Br Amb25857376 [1,0,0,1,0,0|2,0,0]=4 626 B11R1.5 C=CC[C@@H]1OCCCC[C@H]1O Amb24520058 [1,0,0,1,0,0|1,0,0]=3 627 B11R1.5 C=C\C=C\1/CCCCCC1O Amb25234350 [1,0,0,1,0,0|0,0,2]=4 628 B11R1.5 CC1CCCCCC1CNC Amb24392715 [1,0,0,1,0,0|1,0,1]=4 629 B11R1.5 CC1CCCCCC1NC=O Amb25241392 [1,0,0,1,0,0|2,0,0]=4 630 B11R1.5 CC1CCCCOC1CCO Amb25119972 [1,0,0,1,0,0|1,0,1]=4 631 B11R1.5 CC1CCNCCN1CC=C Amb18065436 [1,0,0,1,0,0|2,0,0]=4 632 B11R1.5 CC1CCSCCN1CC=C Amb24533398 [1,0,0,1,0,0|2,0,0]=4 633 B11R1.5 CC1CNCCCN1CC=C Amb18563461 [1,0,0,1,0,0|2,0,0]=4 634 B11R1.5 CCCC1CCCCCC1=O Amb18796794 [1,0,0,1,0,0|1,0,0]=3 635 B11R1.5 CCCC1CCCCCC1N Amb18283601 [1,0,0,1,0,0|1,0,1]=4 636 B11R1.5 CCCC1CCCCCC1O Amb18799751 [1,0,0,1,0,0|0,0,1]=3 637 B11R1.5 CCCC1CCCCNC1=O Amb2229639 [1,0,0,1,0,0|2,0,0]=4 638 B11R1.5 CCC[C@@H]1CCCCC[C@H]1O Amb24675468 [1,0,0,1,0,0|0,0,1]=3 639 B11R1.5 CCNC1CCCCCC1O Amb18950483 [1,0,0,1,0,0|1,0,1]=4 640 B11R1.5 CCOC1CCCCCC1=O Amb25342823 [1,0,0,1,0,0|2,0,0]=4 641 B11R1.5 CCOC1CCCCCC1O Amb18183279 [1,0,0,1,0,0|1,0,1]=4 642 B11R1.5 CCSC1CCCCCC1=O Amb24691772 [1,0,0,1,0,0|2,0,0]=4 643 B11R1.5 CCSC1CCCCCC1O Amb25742627 [1,0,0,1,0,0|1,0,1]=4 644 B11R1.5 COCC1CCCCCC1=O Amb24671812 [1,0,0,1,0,0|2,0,0]=4 645 B11R1.5 C[C@H]1CCCCO[C@H]1CCO Amb24735187 [1,0,0,1,0,0|1,0,1]=4 646 B11R1.5 NCCC1CCCCCC1=O Amb18200342 [1,0,0,1,0,0|2,0,0]=4 647 B11R1.5 NCCC1CCCCCC1O Amb18199945 [1,0,0,1,0,0|1,0,0]=3 648 B11R1.5 O=C1CCCCCC1CCF Amb24686950 [1,0,0,1,0,0|2,0,0]=4 649 B11R1.5 OC1CCCCCC1OC=O Amb24734180 [1,0,0,1,0,0|2,0,0]=4 650 B11R1.5 O[C@@H]1CCCCC[C@H]1OC=O Amb25257069 [1,0,0,1,0,0|2,0,0]=4 651 B11R1.5 O[C@@H]1CCCCO[C@H]1CCO Amb24576619 [1,0,0,1,0,0|2,0,0]=4 652 B11R1.17 C#CCCC1CCCCC1O Amb24574008 [1,0,0,1,0,0|0,0,2]=4 653 B11R1.17 C=C1CCCC=C1CCCO Amb25149743 [1,0,0,1,0,0|0,0,2]=4 654 B11R1.17 C=C1CCCCC1CCCO Amb25149747 [1,0,0,1,0,0|0,0,0]=2 655 B11R1.17 C=C1CCCCC1OCCO Amb24420737 [1,0,0,1,0,0|1,0,0]=3 656 B11R1.17 C=C=CCC1CCCCC1O Amb24705703 [1,0,0,1,0,0|0,0,2]=4 657 B11R1.17 C=C=CC[C@@H]1CCCC[C@H]1O Amb25215419 [1,0,0,1,0,0|0,0,2]=4 658 B11R1.17 C=CCCC1=CCCCC1O Amb25847040 [1,0,0,1,0,0|0,0,2]=4 659 B11R1.17 C=CCCC1CCC=CC1O Amb25129788 [1,0,0,1,0,0|0,0,2]=4 660 B11R1.17 C=CCCC1CCCCC1Cl Amb24395618 [1,0,0,1,0,0|1,0,0]=3 661 B11R1.17 C=CCCC1CCCCC1N Amb25777121 [1,0,0,1,0,0|1,0,0]=3 662 B11R1.17 C=CCCC1CCCCC1O Amb25227048 [1,0,0,1,0,0|0,0,0]=2 663 B11R1.17 C=CCCC1CNCCC1O Amb25032401 [1,0,0,1,0,0|1,0,0]=3 664 B11R1.17 C=CCCC1OCCCC1Cl Amb25211268 [1,0,0,1,0,0|2,0,0]=4 665 B11R1.17 C=CCC[C@@H]1CC=CC[C@@H]1O Amb25256771 [1,0,0,1,0,0|0,0,2]=4 666 B11R1.17 C=CCC[C@@H]1OCCC[C@H]1Br Amb24519931 [1,0,0,1,0,0|2,0,0]=4 667 B11R1.17 C=CCC[C@H]1OCCC[C@@H]1O Amb25317257 [1,0,0,1,0,0|1,0,0]=3 668 B11R1.17 C=CCNC1CCCCC1Cl Amb24487775 [1,0,0,1,0,0|2,0,0]=4 669 B11R1.17 C=CCN[C@@H]1CCCC[C@@H]1O Amb23263428 [1,0,0,1,0,0|1,0,0]=3 670 B11R1.17 C=CCN[C@@H]1CCCC[C@H]1O Amb25774282 [1,0,0,1,0,0|1,0,0]=3 671 B11R1.17 C=CCN[C@H]1CCCC[C@@H]1O Amb24746715 [1,0,0,1,0,0|1,0,0]=3 672 B11R1.17 C=CCOC1CCCC[C@H]1Cl Amb24373249 [1,0,0,1,0,0|2,0,0]=4 673 B11R1.17 C=CCOC1OCCCC1O Amb25769454 [1,0,0,1,0,0|2,0,0]=4 674 B11R1.17 C=CCO[C@@H]1CCCC[C@H]1O Amb25272012 [1,0,0,1,0,0|1,0,0]=3 675 B11R1.17 C=CCO[C@@H]1OCCC[C@@H]1O Amb25185549 [1,0,0,1,0,0|2,0,0]=4 676 B11R1.17 C=CCO[C@H]1OCCC[C@@H]1O Amb24592535 [1,0,0,1,0,0|2,0,0]=4 677 B11R1.17 C=CCSC1CCCCC1N Amb25742515 [1,0,0,1,0,0|2,0,0]=4 678 B11R1.17 CC1CCCCC1CCCC Amb24484363 [1,0,0,1,0,0|0,0,2]=4 679 B11R1.17 CC1CCCCC1CNC=O Amb24487690 [1,0,0,1,0,0|2,0,0]=4 680 B11R1.17 CC1CCCCC1OCC=O Amb18183071 [1,0,0,1,0,0|2,0,0]=4 681 B11R1.17 CC1CCCCC1OCCO Amb18799954 [1,0,0,1,0,0|1,0,1]=4 682 B11R1.17 CC1CCCCN1CCC=C Amb24732856 [1,0,0,1,0,0|1,0,0]=3 683 B11R1.17 CC1CCCCN1CCC=O Amb18787587 [1,0,0,1,0,0|2,0,0]=4 684 B11R1.17 CC1CCCNC1CCCO Amb24453388 [1,0,0,1,0,0|1,0,1]=4 685 B11R1.17 CC1CCCOC1CCCO Amb24719635 [1,0,0,1,0,0|1,0,1]=4 686 B11R1.17 CC1CNCCN1CCC=C Amb25053458 [1,0,0,1,0,0|2,0,0]=4 687 B11R1.17 CC1CSCCN1CCC=C Amb25750954 [1,0,0,1,0,0|2,0,0]=4 688 B11R1.17 CC1SCCCC1NCC=C Amb24397368 [1,0,0,1,0,0|2,0,0]=4 689 B11R1.17 CCCCC1CCCCC1Cl Amb25343212 [1,0,0,1,0,0|1,0,1]=4 690 B11R1.17 CCCCC1CCCCC1N Amb18977609 [1,0,0,1,0,0|1,0,1]=4 691 B11R1.17 CCCCC1CCCCN1C Amb24501690 [1,0,0,1,0,0|1,0,1]=4 692 B11R1.17 CCCCC1CCCCN1O Amb25824048 [1,0,0,1,0,0|1,0,1]=4 693 B11R1.17 CCCCC1CCCC[C@H]1O Amb25686307 [1,0,0,1,0,0|0,0,1]=3 694 B11R1.17 CCCCC1CNCCC1O Amb24099469 [1,0,0,1,0,0|1,0,1]=4 695 B11R1.17 CCCCC1COCCC1=O Amb25720690 [1,0,0,1,0,0|2,0,0]=4 696 B11R1.17 CCCCC1OCCCC1=O Amb24456613 [1,0,0,1,0,0|2,0,0]=4 697 B11R1.17 CCCCN1CCCCC1=N Amb18179564 [1,0,0,1,0,0|2,0,0]=4 698 B11R1.17 CCCCN1CCCCC1=O Amb22394921 [1,0,0,1,0,0|2,0,0]=4 699 B11R1.17 CCCCN1CCCCC1=S Amb24589190 [1,0,0,1,0,0|2,0,0]=4 700 B11R1.17 CCCC[C@@H]1CCCNC1=O Amb24509566 [1,0,0,1,0,0|2,0,0]=4 701 B11R1.17 CCCC[C@H]1CCCCC1=O Amb24725293 [1,0,0,1,0,0|1,0,0]=3 702 B11R1.17 CCCC[C@H]1CCCCN1C Amb25079621 [1,0,0,1,0,0|1,0,1]=4 703 B11R1.17 CCCC[C@H]1CCCC[C@H]1O Amb24520172 [1,0,0,1,0,0|0,0,1]=3 704 B11R1.17 CCCN[C@@H]1CCCC[C@@H]1O Amb23263413 [1,0,0,1,0,0|1,0,1]=4 705 B11R1.17 CCCN[C@@H]1CCCC[C@H]1O Amb10608055 [1,0,0,1,0,0|1,0,1]=4 706 B11R1.17 CCCN[C@H]1CCCC[C@@H]1O Amb25789989 [1,0,0,1,0,0|1,0,1]=4 707 B11R1.17 CCCOC1CCCCC1=O Amb25723193 [1,0,0,1,0,0|2,0,0]=4 708 B11R1.17 CCCOC1CCCCC1O Amb18183283 [1,0,0,1,0,0|1,0,1]=4 709 B11R1.17 CCCO[C@@H]1CCCCC1=O Amb25053086 [1,0,0,1,0,0|2,0,0]=4 710 B11R1.17 CCCO[C@H]1CCCCC1=O Amb24633429 [1,0,0,1,0,0|2,0,0]=4 711 B11R1.17 CCCSC1CCCCC1O Amb18180456 [1,0,0,1,0,0|1,0,1]=4 712 B11R1.17 CCCS[C@@H]1CCCC[C@H]1O Amb25699949 [1,0,0,1,0,0|1,0,1]=4 713 B11R1.17 CCNCC1CCCCC1O Amb18644960 [1,0,0,1,0,0|1,0,1]=4 714 B11R1.17 CCNC[C@@H]1CCCC[C@@H]1O Amb25328818 [1,0,0,1,0,0|1,0,1]=4 715 B11R1.17 CCSCC1CCCCC1O Amb25027075 [1,0,0,1,0,0|1,0,1]=4 716 B11R1.17 CN1CCCCC1CCCO Amb25846934 [1,0,0,1,0,0|1,0,1]=4 717 B11R1.17 CNCCC1CCCCC1=O Amb18125898 [1,0,0,1,0,0|2,0,0]=4 718 B11R1.17 COCCC1CCCCC1=O Amb18787633 [1,0,0,1,0,0|2,0,0]=4 719 B11R1.17 COCCC1CCCCC1O Amb18799960 [1,0,0,1,0,0|1,0,1]=4 720 B11R1.17 CSCCC1CCCCC1O Amb24488348 [1,0,0,1,0,0|1,0,1]=4 721 B11R1.17 C[C@H]1CCCC[C@@H]1NCC=C Amb25232515 [1,0,0,1,0,0|1,0,0]=3 722 B11R1.17 C\C=C\C[C@@H]1CCCC[C@H]1O Amb24569930 [1,0,0,1,0,0|0,0,2]=4 723 B11R1.17 N#CCCC1CCCCC1O Amb18644585 [1,0,0,1,0,0|1,0,1]=4 724 B11R1.17 N#CCC[C@@H]1CCCC[C@@H]1O Amb24680233 [1,0,0,1,0,0|1,0,1]=4 725 B11R1.17 NC1CCCCC1CCCBr Amb24752324 [1,0,0,1,0,0|2,0,0]=4 726 B11R1.17 NC1CCCCC1CCCN Amb24693967 [1,0,0,1,0,0|2,0,0]=4 727 B11R1.17 NC1CCCCC1NCCO Amb25028180 [1,0,0,1,0,0|2,0,0]=4 728 B11R1.17 NC1CCCCC1SCCO Amb25151341 [1,0,0,1,0,0|2,0,0]=4 729 B11R1.17 NCCCC1CCCCC1=O Amb18251486 [1,0,0,1,0,0|2,0,0]=4 730 B11R1.17 NCCCC1CCCCC1F Amb24511336 [1,0,0,1,0,0|2,0,0]=4 731 B11R1.17 NCCNC1CCCCC1O Amb18986527 [1,0,0,1,0,0|2,0,0]=4 732 B11R1.17 NCCN[C@@H]1CCCC[C@H]1O Amb25719606 [1,0,0,1,0,0|2,0,0]=4 733 B11R1.17 NCCSC1CCCCC1O Amb18289483 [1,0,0,1,0,0|2,0,0]=4 734 B11R1.17 N[C@@H]1CCCC[C@H]1OCCO Amb24592642 [1,0,0,1,0,0|2,0,0]=4 735 B11R1.17 O=C1CCCCC1CCCBr Amb25683472 [1,0,0,1,0,0|2,0,0]=4 736 B11R1.17 O=C1CCCCC1CCCCl Amb24651080 [1,0,0,1,0,0|2,0,0]=4 737 B11R1.17 O=C1CCCCC1CCCF Amb24714474 [1,0,0,1,0,0|2,0,0]=4 738 B11R1.17 O=C1CCCCC1CCCI Amb25785639 [1,0,0,1,0,0|2,0,0]=4 739 B11R1.17 OC1CCCCC1CCCF Amb25115046 [1,0,0,1,0,0|1,0,0]=3 740 B11R1.17 OC1CCCCC1C\C=C\Cl Amb25858180 [1,0,0,1,0,0|1,0,1]=4 741 B11R1.17 OC1CCCCC1NCCF Amb25791420 [1,0,0,1,0,0|2,0,0]=4 742 B11R1.17 OC1CCCCC1NCCO Amb18289319 [1,0,0,1,0,0|2,0,0]=4 743 B11R1.17 OC1CCCCC1OCCO Amb25152135 [1,0,0,1,0,0|2,0,0]=4 744 B11R1.17 OC1CCCCC1SCCCl Amb24356745 [1,0,0,1,0,0|2,0,0]=4 745 B11R1.17 OC1CCCCC1SCCO Amb18795856 [1,0,0,1,0,0|2,0,0]=4 746 B11R1.17 OC1CCCCC1SCCS Amb24704568 [1,0,0,1,0,0|2,0,0]=4 747 B11R1.17 OC1CCCCN1CCCCl Amb24487751 [1,0,0,1,0,0|2,0,0]=4 748 B11R1.17 OC1CCNCC1CCCF Amb25032400 [1,0,0,1,0,0|2,0,0]=4 749 B11R1.17 OC1CCNCC1CCCO Amb25701211 [1,0,0,1,0,0|2,0,0]=4 750 B11R1.17 OC1CCOCC1CCCF Amb24573710 [1,0,0,1,0,0|2,0,0]=4 751 B11R1.17 OC1OCCCC1CCC=O Amb25103255 [1,0,0,1,0,0|2,0,0]=4 752 B11R1.17 OCCCC1CCCOC1=O Amb25851451 [1,0,0,1,0,0|2,0,0]=4 753 B11R1.17 OCCCC1CNCCC1=O Amb25778442 [1,0,0,1,0,0|2,0,0]=4 754 B11R1.17 OCCCC1NCCCC1=O Amb18126066 [1,0,0,1,0,0|2,0,0]=4 755 B11R1.17 O[C@@H]1CCCC[C@H]1CCC=O Amb25245324 [1,0,0,1,0,0|1,0,0]=3 756 B11R1.17 O[C@@H]1CCCC[C@H]1NCCF Amb24532141 [1,0,0,1,0,0|2,0,0]=4 757 B11R1.17 O[C@@H]1CCCC[C@H]1SCCO Amb24396551 [1,0,0,1,0,0|2,0,0]=4 758 B11R1.17 O[C@@H]1CCNC[C@@H]1CCCO Amb24760221 [1,0,0,1,0,0|2,0,0]=4 759 B11R1.17 O[C@H]1CCCC[C@@H]1SCCO Amb25837818 [1,0,0,1,0,0|2,0,0]=4 760 B11R1.17 O[C@H]1CCCO[C@@H]1CCCO Amb25207037 [1,0,0,1,0,0|2,0,0]=4 761 B11R1.17 [C-]#[N+]CCC1CCCCC1C Amb25211958 [1,0,0,1,0,0|1,0,1]=4 762 B11R1.18 C=CCCC1CCCC1C=O Amb25385699 [1,0,0,1,0,0|0,0,2]=4 763 B11R1.18 C=CCCC1CCCC1CN Amb24762086 [1,0,0,1,0,0|1,0,0]=3 764 B11R1.18 C=CCCN1CCCC1CF Amb25380563 [1,0,0,1,0,0|2,0,0]=4 765 B11R1.18 C=CCCN1CCC[C@H]1CN Amb24750657 [1,0,0,1,0,0|2,0,0]=4 766 B11R1.18 C=CCC[C@@H]1CCC[C@H]1C=O Amb24765265 [1,0,0,1,0,0|0,0,2]=4 767 B11R1.18 C=CCN[C@H]1CCC[C@H]1CO Amb25384216 [1,0,0,1,0,0|1,0,0]=3 768 B11R1.18 C=C[C@@H]1CCCN1CCCCl Amb25383811 [1,0,0,1,0,0|2,0,0]=4 769 B11R1.18 C=C[C@@H]1CCC[C@H]1\C=C\CO Amb25234581 [1,0,0,1,0,0|0,0,2]=4 770 B11R1.18 CCC#CC1CCCC1C=C Amb25124895 [1,0,0,1,0,0|0,0,2]=4 771 B11R1.18 CCC1CCCC1NCC=C Amb25381914 [1,0,0,1,0,0|1,0,0]=3 772 B11R1.18 CCC1CCCC1NCCO Amb24761740 [1,0,0,1,0,0|1,0,1]=4 773 B11R1.18 CCC1CCCN1CCC=O Amb18787589 [1,0,0,1,0,0|2,0,0]=4 774 B11R1.18 CCC1CCCN1CCCO Amb18179765 [1,0,0,1,0,0|1,0,1]=4 775 B11R1.18 CCCCC1CCCC1CN Amb24762087 [1,0,0,1,0,0|1,0,1]=4 776 B11R1.18 CCCCC1CCCC1NC Amb19015846 [1,0,0,1,0,0|1,0,1]=4 777 B11R1.18 CCCCC1OCCC1C=O Amb18644843 [1,0,0,1,0,0|2,0,0]=4 778 B11R1.18 CCCCN1CCCC1C=C Amb25383205 [1,0,0,1,0,0|1,0,0]=3 779 B11R1.18 CCCCN1CCCC1C=O Amb23586328 [1,0,0,1,0,0|2,0,0]=4 780 B11R1.18 CCCCN1CCCC1CO Amb18799841 [1,0,0,1,0,0|1,0,1]=4 781 B11R1.18 CCCCN1CCC[C@@H]1C=O Amb24766697 [1,0,0,1,0,0|2,0,0]=4 782 B11R1.18 CCCC[C@@H]1CCC[C@H]1CO Amb25384683 [1,0,0,1,0,0|0,0,1]=3 783 B11R1.18 CCCC[C@H]1OCCC1C=O Amb25385708 [1,0,0,1,0,0|2,0,0]=4 784 B11R1.18 CCCC[C@H]1OCC[C@@H]1C=O Amb24765269 [1,0,0,1,0,0|2,0,0]=4 785 B11R1.18 CCCC[C@H]1OCC[C@H]1C=O Amb24765268 [1,0,0,1,0,0|2,0,0]=4 786 B11R1.18 CCCN[C@@H]1CCC[C@@H]1CO Amb25384097 [1,0,0,1,0,0|1,0,1]=4 787 B11R1.18 CCN1CCCC1CCCO Amb18183238 [1,0,0,1,0,0|1,0,1]=4 788 B11R1.18 COC1CCCC1NCC=C Amb18791686 [1,0,0,1,0,0|2,0,0]=4 789 B11R1.18 NCC1CCCC1OCCO Amb25379540 [1,0,0,1,0,0|2,0,0]=4 790 B11R1.18 NCCCN1CCC[C@H]1CO Amb24764835 [1,0,0,1,0,0|2,0,0]=4 791 B11R1.18 NCCN[C@@H]1CCC[C@@H]1CO Amb25384098 [1,0,0,1,0,0|2,0,0]=4 792 B11R1.18 NC[C@H]1CCCN1CCCO Amb24750661 [1,0,0,1,0,0|2,0,0]=4 793 B11R1.18 OCC1CCCN1CCC=O Amb18177533 [1,0,0,1,0,0|2,0,0]=4 794 B11R1.18 OCC1CCCN1CCCCl Amb18790913 [1,0,0,1,0,0|2,0,0]=4 795 B11R1.18 OCCCC1CCCC1CCl Amb25386257 [1,0,0,1,0,0|1,0,0]=3 796 B11R1.18 OCCCC1CCCN1C=O Amb18183178 [1,0,0,1,0,0|2,0,0]=4 797 B11R1.18 OCCCN1CCCC1CO Amb18177646 [1,0,0,1,0,0|2,0,0]=4 798 B11R1.18 OCCN[C@@H]1CCC[C@@H]1CO Amb25384218 [1,0,0,1,0,0|2,0,0]=4 799 B11R1.18 OC[C@@H]1CCC[C@@H]1NCCF Amb25384219 [1,0,0,1,0,0|2,0,0]=4 800 B11R1.26 C#C[C@H]1CCCCCC[C@@H]1O Amb25317522 [1,0,0,1,0,0|0,0,2]=4 801 B11R1.26 C=CC1=CCCCCCC1O Amb24353083 [1,0,0,1,0,0|0,0,2]=4 802 B11R1.26 CCC1CCCCCNC1=O Amb24757672 [1,0,0,1,0,0|2,0,0]=4 803 B11R1.26 CN1CCCCCCC1CO Amb24632097 [1,0,0,1,0,0|1,0,1]=4 804 B11R1.26 CN[C@@H]1CCCCCC[C@H]1O Amb24656105 [1,0,0,1,0,0|1,0,1]=4 805 B11R1.26 COC1CCCCCCC1=O Amb25767104 [1,0,0,1,0,0|2,0,0]=4 806 B11R1.26 COC1CCCCCCC1O Amb18183277 [1,0,0,1,0,0|1,0,1]=4 807 B11R1.26 CO[C@@H]1CCCCCC[C@H]1O Amb25176598 [1,0,0,1,0,0|1,0,1]=4 808 B11R1.26 CSC1CCCCCCC1=O Amb24441911 [1,0,0,1,0,0|2,0,0]=4 809 B11R1.26 C\C=C/1\CCCCCCC1O Amb25356293 [1,0,0,1,0,0|0,0,2]=4 810 B11R1.26 N#CC1CCCCCCC1O Amb25332514 [1,0,0,1,0,0|1,0,1]=4 811 B11R1.26 NC[C@@H]1CCCCCC[C@@H]1O Amb24656301 [1,0,0,1,0,0|1,0,0]=3 812 B11R1.26 NNC1CCCCCCC1O Amb24411011 [1,0,0,1,0,0|2,0,0]=4 813 B11R1.26 NN[C@@H]1CCCCCC[C@H]1O Amb24514796 [1,0,0,1,0,0|2,0,0]=4 814 B11R1.26 OCC1CCCCCCC1=O Amb25298435 [1,0,0,1,0,0|1,0,0]=3 815 B11R1.26 OCC=1CCCCCCC1Cl Amb24372028 [1,0,0,1,0,0|1,0,1]=4 816 B11R1.26 OC[C@@H]1CCCCCCC1=O Amb25833647 [1,0,0,1,0,0|1,0,0]=3 817 B11R1.26 O[C@H]1CCCCCC[C@H]1CO Amb25284276 [1,0,0,1,0,0|1,0,0]=3 818 B11R1.26 [C-]#[N+]C1CCCCCCC1O Amb25846142 [1,0,0,1,0,0|1,0,1]=4 819 B11R1.28 BrCCCCC1CCCCC1 Amb21937167 [1,0,0,1,0,0|1,0,1]=4 820 B11R1.28 C#CCCCC1CCCCC1 Amb24062905 [1,0,0,1,0,0|0,0,2]=4 821 B11R1.28 C=CCC#CC1CCCCC1 Amb25376136 [1,0,0,1,0,0|0,0,2]=4 822 B11R1.28 C=CCCCC1CCCCC1 Amb24117204 [1,0,0,1,0,0|0,0,0]=2 823 B11R1.28 C=CCCCC1COCCC1 Amb25380388 [1,0,0,1,0,0|1,0,0]=3 824 B11R1.28 C=CCCCC1CSCCC1 Amb25383771 [1,0,0,1,0,0|1,0,0]=3 825 B11R1.28 C=CCCCN1CCNCC1 Amb24762975 [1,0,0,1,0,0|2,0,0]=4 826 B11R1.28 C=CCCC[C@@H]1COCCC1 Amb25383939 [1,0,0,1,0,0|1,0,0]=3 827 B11R1.28 C=CCCC[C@@H]1CSCCC1 Amb25383940 [1,0,0,1,0,0|1,0,0]=3 828 B11R1.28 C=CCCC[C@H]1COCCC1 Amb25383786 [1,0,0,1,0,0|1,0,0]=3 829 B11R1.28 C=CCCC[C@H]1CSCCC1 Amb25383944 [1,0,0,1,0,0|1,0,0]=3 830 B11R1.28 C=CCCNC1CCCCC1 Amb10559348 [1,0,0,1,0,0|1,0,0]=3 831 B11R1.28 C=CCCNC1CCNCC1 Amb24755938 [1,0,0,1,0,0|2,0,0]=4 832 B11R1.28 C=CCCNC1CCSCC1 Amb24755950 [1,0,0,1,0,0|2,0,0]=4 833 B11R1.28 C=CCCSC1CCOCC1 Amb24755983 [1,0,0,1,0,0|2,0,0]=4 834 B11R1.28 C=CCNCC1CCCCS1 Amb24754609 [1,0,0,1,0,0|1,1,0]=4 835 B11R1.28 C=CCNCC1CCCNC1 Amb17232142 [1,0,0,1,0,0|2,0,0]=4 836 B11R1.28 C=CCNCC1CCNCC1 Amb17232140 [1,0,0,1,0,0|2,0,0]=4 837 B11R1.28 C=CCNCC1CCOCC1 Amb18310697 [1,0,0,1,0,0|2,0,0]=4 838 B11R1.28 C=CCNCC1CCOCO1 Amb24755260 [1,0,0,1,0,0|2,0,0]=4 839 B11R1.28 C=CCNCC1COCCC1 Amb18179623 [1,0,0,1,0,0|2,0,0]=4 840 B11R1.28 C=CCNCC1COCCO1 Amb18179737 [1,0,0,1,0,0|2,0,0]=4 841 B11R1.28 C=CCOCC1CCCCN1 Amb19020497 [1,0,0,1,0,0|2,0,0]=4 842 B11R1.28 C=CCOCC1CCNCC1 Amb13783512 [1,0,0,1,0,0|2,0,0]=4 843 B11R1.28 C=CCOCC1CCNCC1 Amb21954868 [1,0,0,1,0,0|2,0,0]=4 844 B11R1.28 C=CCOCC1CNCCC1 Amb19021852 [1,0,0,1,0,0|2,0,0]=4 845 B11R1.28 C=CCOCC1CNCCO1 Amb24764777 [1,0,0,1,0,0|2,0,0]=4 846 B11R1.28 C=CCONC1CCCCC1 Amb24765590 [1,0,0,1,0,0|2,0,0]=4 847 B11R1.28 C=CCSCC1CCCCC1 Amb25372143 [1,0,0,1,0,0|1,0,0]=3 848 B11R1.28 C=CCSCC1CCCCO1 Amb25372144 [1,0,0,1,0,0|1,0,0]=3 849 B11R1.28 C=CCSCC1CCOCC1 Amb25372170 [1,0,0,1,0,0|2,0,0]=4 850 B11R1.28 C=CCSCC1COCCC1 Amb25372169 [1,0,0,1,0,0|2,0,0]=4 851 B11R1.28 C=COCCN1CCCCC1 Amb17934202 [1,0,0,1,0,0|2,0,0]=4 852 B11R1.28 CCCCCC1CNCCC1 Amb22642855 [1,0,0,1,0,0|1,0,1]=4 853 B11R1.28 CCCCCC1CNCCO1 Amb24761722 [1,0,0,1,0,0|1,0,1]=4 854 B11R1.28 CCCCC[C@@H]1CCCCN1 Amb25380517 [1,0,0,1,0,0|1,0,1]=4 855 B11R1.28 CCCCNC1CCCC=C1 Amb24764722 [1,0,0,1,0,0|1,0,0]=3 856 B11R1.28 CCNCCC1CCCCO1 Amb18312531 [1,0,0,1,0,0|1,0,1]=4 857 B11R1.28 COCCSC1CCCC=C1 Amb25382913 [1,0,0,1,0,0|2,0,0]=4 858 B11R1.28 C[NH2+]CCCC1CCCCC1 Amb20648432 [1,0,0,1,0,0|1,0,1]=4 859 B11R1.28 ClCCCCC1CCCC=C1 Amb25383945 [1,0,0,1,0,0|1,0,0]=3 860 B11R1.28 Cl[Mg]CCCC1CCCCC1 Amb22897279 [1,0,0,1,0,0|2,0,0]=4 861 B11R1.28 Cl[Zn]CCCC1CCCCC1 Amb22897737 [1,0,0,1,0,0|2,0,0]=4 862 B11R1.28 ICCCOC1CCCCO1 Amb24761942 [1,0,0,1,0,0|2,0,0]=4 863 B11R1.28 NCCCCC1CCCCC1 Amb17570025 [1,0,0,1,0,0|1,0,1]=4 864 B11R1.28 NCCNCC1CCCCO1 Amb19014581 [1,0,0,1,0,0|2,0,0]=4 865 B11R1.28 O=CCCCC1CCCCO1 Amb25385814 [1,0,0,1,0,0|1,0,0]=3 866 B11R1.28 O=CCCCC1OCCCO1 Amb25385749 [1,0,0,1,0,0|2,0,0]=4 867 B11R1.28 O=CCCOC1CCCCC1 Amb18787634 [1,0,0,1,0,0|2,0,0]=4 868 B11R1.28 O=CCCSC1CCCCC1 Amb18178028 [1,0,0,1,0,0|2,0,0]=4 869 B11R1.28 O=CCOCC1CCCCC1 Amb18797001 [1,0,0,1,0,0|2,0,0]=4 870 B11R1.28 O=CCOCC1CCCCO1 Amb18799917 [1,0,0,1,0,0|2,0,0]=4 871 B11R1.28 O=CNCCC1CCCCO1 Amb25767203 [1,0,0,1,0,0|2,0,0]=4 872 B11R1.28 OCCC#CC1CCCC=C1 Amb24520565 [1,0,0,1,0,0|0,0,2]=4 873 B11R1.28 OCCCCC1CCCCN1 Amb22749320 [1,0,0,1,0,0|1,0,0]=3 874 B11R1.28 OCCCCC1CCNCC1 Amb21858465 [1,0,0,1,0,0|1,0,1]=4 875 B11R1.28 OCCCCC1CCNCC1 Amb21858466 [1,0,0,1,0,0|1,0,1]=4 876 B11R1.28 OCCCCC1CCOCC1 Amb24750759 [1,0,0,1,0,0|1,0,1]=4 877 B11R1.28 OCCCCC1CNCCC1 Amb22749319 [1,0,0,1,0,0|1,0,1]=4 878 B11R1.28 OCCCCN1CCCCC1 Amb21955136 [1,0,0,1,0,0|1,0,1]=4 879 B11R1.28 OCCCCN1CCCCO1 Amb24750658 [1,0,0,1,0,0|2,0,0]=4 880 B11R1.28 OCCCOC1CCCCO1 Amb25383986 [1,0,0,1,0,0|2,0,0]=4 881 B11R1.28 OCCCSC1CCCCC1 Amb18795506 [1,0,0,1,0,0|1,0,1]=4 882 B11R1.28 OCCNCC1CCCCC1 Amb2119209 [1,0,0,1,0,0|1,0,1]=4 883 B11R1.28 OCCNCC=1CCCCC1 Amb24764778 [1,0,0,1,0,0|1,0,1]=4 884 B11R1.28 OCCOCC1CCCCC1 Amb18182365 [1,0,0,1,0,0|1,0,1]=4 885 B11R1.28 OCCOCC1CCCCO1 Amb18800345 [1,0,0,1,0,0|2,0,0]=4 886 B11R1.28 OCCSCC1CCCCN1 Amb18184000 [1,0,0,1,0,0|2,0,0]=4 887 B11R1.28 SCCNCC1CCCCO1 Amb25386156 [1,0,0,1,0,0|2,0,0]=4 888 B11R1.41 C=C=CC1CCCCC1CO Amb25235579 [1,0,0,1,0,0|0,0,2]=4 889 B11R1.41 C=C=C[C@@H]1CCCC[C@H]1CO Amb24642471 [1,0,0,1,0,0|0,0,2]=4 890 B11R1.41 C=CC1CNCCC1CCO Amb24696498 [1,0,0,1,0,0|1,0,0]=3 891 B11R1.41 C=CCC/1CCCC\C1=N/O Amb25794099 [1,0,0,1,0,0|1,0,1]=4 892 B11R1.41 C=CCC1CCCCC1C#N Amb18125028 [1,0,0,1,0,0|1,0,1]=4 893 B11R1.41 C=CCC1CCCCC1C=O Amb18125474 [1,0,0,1,0,0|0,0,2]=4 894 B11R1.41 C=CCC1CCCCC1CN Amb18125613 [1,0,0,1,0,0|1,0,0]=3 895 B11R1.41 C=CCN1CCCCC1CN Amb18982953 [1,0,0,1,0,0|2,0,0]=4 896 B11R1.41 C=CCN1CCCCC1CO Amb18183002 [1,0,0,1,0,0|1,0,0]=3 897 B11R1.41 C=CCN1CCCC[C@@H]1CO Amb25380682 [1,0,0,1,0,0|1,0,0]=3 898 B11R1.41 C=CCN1CCNCC1CO Amb24533737 [1,0,0,1,0,0|2,0,0]=4 899 B11R1.41 C=CC[C@@H]1CCCC[C@H]1C=O Amb24550707 [1,0,0,1,0,0|0,0,2]=4 900 B11R1.41 C=C[C@H]1CNCC[C@H]1CCO Amb24578788 [1,0,0,1,0,0|1,0,0]=3 901 B11R1.41 C=C\C=C\1/CCCCC1CO Amb24703060 [1,0,0,1,0,0|0,0,2]=4 902 B11R1.41 CCC1CCCCC1CC=O Amb25196472 [1,0,0,1,0,0|1,0,0]=3 903 B11R1.41 CCC1CCCCC1CCC Amb24533062 [1,0,0,1,0,0|0,0,2]=4 904 B11R1.41 CCC1CCCCC1CCCl Amb24444190 [1,0,0,1,0,0|1,0,1]=4 905 B11R1.41 CCC1CCCCC1CCN Amb25798044 [1,0,0,1,0,0|1,0,1]=4 906 B11R1.41 CCC1CCCCC1CNC Amb25264380 [1,0,0,1,0,0|1,0,1]=4 907 B11R1.41 CCC1CCCCC1CNN Amb25049134 [1,0,0,1,0,0|2,0,0]=4 908 B11R1.41 CCC1CCCCC1NC=O Amb25117142 [1,0,0,1,0,0|2,0,0]=4 909 B11R1.41 CCC1CCCCN1CC=O Amb18799608 [1,0,0,1,0,0|2,0,0]=4 910 B11R1.41 CCC1CNCCN1CC=C Amb25078075 [1,0,0,1,0,0|2,0,0]=4 911 B11R1.41 CCC1COCCN1CC=C Amb25739517 [1,0,0,1,0,0|2,0,0]=4 912 B11R1.41 CCCC1CCCCC1C#N Amb24620417 [1,0,0,1,0,0|1,0,1]=4 913 B11R1.41 CCCC1CCCCC1NC Amb18977610 [1,0,0,1,0,0|1,0,1]=4 914 B11R1.41 CCCC1CCCCN1C=O Amb24523123 [1,0,0,1,0,0|2,0,0]=4 915 B11R1.41 CCCC1CCCCN1CO Amb25345080 [1,0,0,1,0,0|1,0,1]=4 916 B11R1.41 CCCC1OCCCC1CO Amb25169552 [1,0,0,1,0,0|1,0,1]=4 917 B11R1.41 CCCN1CCCCC1C=O Amb18796904 [1,0,0,1,0,0|2,0,0]=4 918 B11R1.41 CCCN1CCCCC1CO Amb18179768 [1,0,0,1,0,0|1,0,1]=4 919 B11R1.41 CCN1CCCCC1CCO Amb18183195 [1,0,0,1,0,0|1,0,1]=4 920 B11R1.41 CCNC1CCCCC1CO Amb18126082 [1,0,0,1,0,0|1,0,1]=4 921 B11R1.41 CCN[C@@H]1CCCC[C@H]1CO Amb25201139 [1,0,0,1,0,0|1,0,1]=4 922 B11R1.41 CCOC1CCCCC1C=O Amb25212289 [1,0,0,1,0,0|2,0,0]=4 923 B11R1.41 CCOC1CCCCC1CO Amb25032591 [1,0,0,1,0,0|1,0,1]=4 924 B11R1.41 CCO[C@@H]1CCCC[C@@H]1CO Amb24719718 [1,0,0,1,0,0|1,0,1]=4 925 B11R1.41 CC[C@@H]1CNCC[C@H]1CCO Amb24594348 [1,0,0,1,0,0|1,0,1]=4 926 B11R1.41 CC[C@H]1CCCC[C@H]1CCO Amb25285372 [1,0,0,1,0,0|0,0,1]=3 927 B11R1.41 CNC1CCCCC1CC=C Amb18993613 [1,0,0,1,0,0|1,0,0]=3 928 B11R1.41 COC1CCCCC1CCO Amb23538340 [1,0,0,1,0,0|1,0,1]=4 929 B11R1.41 COCC1CCCCC1CO Amb17593966 [1,0,0,1,0,0|1,0,1]=4 930 B11R1.41 COC[C@@H]1CCCC[C@@H]1CO Amb24697853 [1,0,0,1,0,0|1,0,1]=4 931 B11R1.41 COC[C@@H]1CCCC[C@H]1CO Amb17939261 [1,0,0,1,0,0|1,0,1]=4 932 B11R1.41 CO[C@H]1CCCC[C@H]1CCO Amb24592444 [1,0,0,1,0,0|1,0,1]=4 933 B11R1.41 N#CCC1CCCC[C@@H]1CO Amb24514111 [1,0,0,1,0,0|1,0,1]=4 934 B11R1.41 NCC1CCCCC1CCN Amb24627871 [1,0,0,1,0,0|2,0,0]=4 935 B11R1.41 NCC1CCCCN1CCO Amb18294586 [1,0,0,1,0,0|2,0,0]=4 936 B11R1.41 OCC1CCCCC1CCO Amb24412084 [1,0,0,1,0,0|1,0,0]=3 937 B11R1.41 OCC1CCCCN1CC=O Amb18799800 [1,0,0,1,0,0|2,0,0]=4 938 B11R1.41 OCC1CCCCN1CCCl Amb18790914 [1,0,0,1,0,0|2,0,0]=4 939 B11R1.41 OCC1CCCCN1CCF Amb25378550 [1,0,0,1,0,0|2,0,0]=4 940 B11R1.41 OCC1CCCCN1CCS Amb25769236 [1,0,0,1,0,0|2,0,0]=4 941 B11R1.41 OCCC1CCCCN1C=O Amb18179738 [1,0,0,1,0,0|2,0,0]=4 942 B11R1.41 OCCN1CCCCC1C=O Amb18797130 [1,0,0,1,0,0|2,0,0]=4 943 B11R1.41 OCCN1CCCCC1CO Amb18177647 [1,0,0,1,0,0|2,0,0]=4 944 B11R1.41 OC[C@H]1CCCC[C@H]1CCO Amb25345143 [1,0,0,1,0,0|1,0,0]=3 945 B11R1.47 C=CCNCCCC1CCC1 Amb23570820 [1,0,0,1,0,0|1,0,0]=3 946 B11R1.47 OCCNCCCC1CCC1 Amb23570824 [1,0,0,1,0,0|1,0,1]=4 947 B11R1.51 CCC1CCCCCC1NC Amb18283817 [1,0,0,1,0,0|1,0,1]=4 948 B11R1.51 CCC1CCCCCN1C=O Amb24684550 [1,0,0,1,0,0|2,0,0]=4 949 B11R1.51 CCN1CCCCCC1CO Amb10817345 [1,0,0,1,0,0|1,0,1]=4 950 B11R1.51 OCC1CCCCCC1CO Amb24356548 [1,0,0,1,0,0|1,0,0]=3 951 B11R1.51 OC[C@@H]1CCCCC[C@@H]1CO Amb22356584 [1,0,0,1,0,0|1,0,0]=3 952 B11R1.51 OC[C@@H]1CCCCC[C@H]1CCl Amb25179255 [1,0,0,1,0,0|1,0,0]=3 953 B11R1.51 OC[C@@H]1CCCCC[C@H]1CO Amb24741731 [1,0,0,1,0,0|1,0,0]=3 954 B11R1.85 C=C1CCCCCCCC1=O Amb25092923 [1,0,0,1,0,0|0,0,2]=4 955 B11R1.85 C=C1CCCCCCCC1O Amb25769379 [1,0,0,1,0,0|0,0,0]=2 956 B11R1.85 CC1CCCCCCCC1=O Amb25712223 [1,0,0,1,0,0|1,0,0]=3 957 B11R1.85 CC1CCCCCCNC1=O Amb25287543 [1,0,0,1,0,0|2,0,0]=4 958 B11R1.85 NC1CCCCCCCC1O Amb24392239 [1,0,0,1,0,0|1,0,0]=3 959 B11R1.85 N[C@@H]1CCCCCCC[C@H]1O Amb24589620 [1,0,0,1,0,0|1,0,0]=3 960 B11R1.85 N[C@H]1CCCCCCC[C@H]1O Amb25179160 [1,0,0,1,0,0|1,0,0]=3 961 B11R1.85 O=C1CCCCCCCC1Cl Amb24434022 [1,0,0,1,0,0|2,0,0]=4 962 B11R1.85 OC1CCCCCCC=C1Br Amb17595969 [1,0,0,1,0,0|1,0,1]=4 963 B11R1.92 C1CCCC=CCCCCN1 Amb24391264 [1,0,0,1,0,0|1,0,0]=3 964 B11R1.92 C1CCCCCCCCCC1 Amb25060085 [1,0,0,1,0,0|0,0,2]=4 965 B11R1.92 C1OCCCCCCCCO1 Amb24434714 [1,0,0,1,0,0|1,0,1]=4 966 B11R1.99 C=CCCCCCC[C@@H]1CO1 Amb22367014 [1,0,0,1,0,0|0,0,0]=2 967 B11R1.99 CCCCCCCCC1CO1 Amb17771534 [1,0,0,1,0,0|0,0,1]=3 968 B11R1.99 CCCCCCCC[C@H]1CS1 Amb22366998 [1,0,0,1,0,0|0,1,1]=4 969 B11R1.99 CCCCCCOC[C@H]1CO1 Amb22388620 [1,0,0,1,0,0|1,0,1]=4 970 B11R1.101 C[C@H]1CNCCCCCCC1 Amb24415300 [1,0,0,1,0,0|1,0,1]=4 971 B11R1.101 NC1CCCCCCCC=C1 Amb24649891 [1,0,0,1,0,0|1,0,0]=3 972 B11R1.101 NC1CCCCCCCCC1 Amb17593887 [1,0,0,1,0,0|1,0,1]=4 973 B11R1.101 O=C1NCCCCCCCO1 Amb24443710 [1,0,0,1,0,0|2,0,0]=4 974 B11R1.101 OC1CC=CCCCCCC1 Amb24473368 [1,0,0,1,0,0|0,0,2]=4 975 B11R1.101 OC1CCCCCCCC#C1 Amb25332277 [1,0,0,1,0,0|0,0,2]=4 976 B11R1.101 OC1CCCCCCCCC1 Amb22008249 [1,0,0,1,0,0|0,0,1]=3 977 B11R1.101 OC1CCCCCNCCC1 Amb25858834 [1,0,0,1,0,0|1,0,1]=4 978 B11R1.109 C=CC[C@H]1CCC[C@@H]1CC=O Amb25385672 [1,0,0,1,0,0|0,0,2]=4 979 B11R1.109 CCCC1CCCC1CNC Amb24762105 [1,0,0,1,0,0|1,0,1]=4 980 B11R1.109 CCCC1NCCC1CCO Amb25385582 [1,0,0,1,0,0|1,0,1]=4 981 B11R1.109 CCNC1CCCC1CC=C Amb19026212 [1,0,0,1,0,0|1,0,0]=3 982 B11R1.109 CNCC1CCCC1CC=C Amb24762103 [1,0,0,1,0,0|1,0,0]=3 983 B11R1.109 CNCC1CCCN1CC=C Amb19022107 [1,0,0,1,0,0|2,0,0]=4 984 B11R1.109 COCC1CCCN1CC=C Amb25382860 [1,0,0,1,0,0|2,0,0]=4 985 B11R1.109 ClCC[C@H]1CCC[C@@H]1CCCl Amb25384922 [1,0,0,1,0,0|2,0,0]=4 986 B11R1.109 NCC[C@@H]1CCC[C@@H]1CCN Amb24764682 [1,0,0,1,0,0|2,0,0]=4 987 B11R1.109 NCC[C@H]1CCC[C@@H]1CCN Amb24764587 [1,0,0,1,0,0|2,0,0]=4 988 B11R1.109 OCC[C@H]1CCC[C@@H]1CCO Amb25384779 [1,0,0,1,0,0|1,0,0]=3 989 B11R1.109 OCC[C@H]1CNC[C@@H]1CCO Amb25386400 [1,0,0,1,0,0|2,0,0]=4 990 B11R1.117 CCNC1CCCCCC=C1 Amb25141200 [1,0,0,1,0,0|1,0,0]=3 991 B11R1.117 CNCC1CCCCCCC1 Amb19149347 [1,0,0,1,0,0|1,0,1]=4 992 B11R1.117 CONC1CCCCCC=C1 Amb25051775 [1,0,0,1,0,0|2,0,0]=4 993 B11R1.117 NCCC1CCCCCCC1 Amb10607690 [1,0,0,1,0,0|1,0,1]=4 994 B11R1.117 NCCC=1CCCCCCC1 Amb24652597 [1,0,0,1,0,0|1,0,1]=4 995 B11R1.117 O=CCC1CCCCCC=C1 Amb25075624 [1,0,0,1,0,0|0,0,2]=4 996 B11R1.117 O=CCC1CCCCCCC1 Amb24382615 [1,0,0,1,0,0|1,0,0]=3 997 B11R1.117 O=CCN1CCCCCCC1 Amb18183003 [1,0,0,1,0,0|2,0,0]=4 998 B11R1.117 OCCC1CC=CCCC=C1 Amb25795098 [1,0,0,1,0,0|0,0,2]=4 999 B11R1.117 OCCC1CCCCCC=C1 Amb24475566 [1,0,0,1,0,0|0,0,0]=2 1000 B11R1.117 OCCC1CCCCCCC1 Amb25145747 [1,0,0,1,0,0|0,0,1]=3 1001 B11R1.117 OCCC=1CCCCCCC1 Amb24439590 [1,0,0,1,0,0|0,0,1]=3 1002 B11R1.180 C=C=CCCC1CCCC1O Amb24642401 [1,0,0,1,0,0|0,0,2]=4 1003 B11R1.180 C=CCCCC1CCCC1O Amb24762973 [1,0,0,1,0,0|0,0,0]=2 1004 B11R1.180 C=CCCCC1CSCC1O Amb24755627 [1,0,0,1,0,0|1,0,0]=3 1005 B11R1.180 C=CCCNC1CCCC1O Amb24755944 [1,0,0,1,0,0|1,0,0]=3 1006 B11R1.180 C=CCCOC1CCCC1N Amb24761941 [1,0,0,1,0,0|2,0,0]=4 1007 B11R1.180 C=CCOCC1CCCN1O Amb25384607 [1,0,0,1,0,0|2,0,0]=4 1008 B11R1.180 C=CCOC[C@@H]1CCCN1O Amb24763099 [1,0,0,1,0,0|2,0,0]=4 1009 B11R1.180 C=CCONC1CCCC1O Amb24767242 [1,0,0,1,0,0|2,0,0]=4 1010 B11R1.180 C=CCON[C@@H]1CCC[C@H]1O Amb24767240 [1,0,0,1,0,0|2,0,0]=4 1011 B11R1.180 C=CCON[C@H]1CCC[C@@H]1O Amb24767243 [1,0,0,1,0,0|2,0,0]=4 1012 B11R1.180 CC1CCCC1NCCCO Amb24750431 [1,0,0,1,0,0|1,0,1]=4 1013 B11R1.180 CC1CCCC1NOCC=C Amb24765586 [1,0,0,1,0,0|2,0,0]=4 1014 B11R1.180 CC1CCCN1CCCC=C Amb24750971 [1,0,0,1,0,0|1,0,0]=3 1015 B11R1.180 CC1CCCN1CCCCO Amb18179762 [1,0,0,1,0,0|1,0,1]=4 1016 B11R1.180 CC1OCCC1NCCC=C Amb24755015 [1,0,0,1,0,0|2,0,0]=4 1017 B11R1.180 CC1SCCC1NCCC=C Amb25380093 [1,0,0,1,0,0|2,0,0]=4 1018 B11R1.180 CCCCCC1CCCC1N Amb19015844 [1,0,0,1,0,0|1,0,1]=4 1019 B11R1.180 CCCCCC1CCCC1O Amb18183110 [1,0,0,1,0,0|0,0,1]=3 1020 B11R1.180 CCCCCC1CSCC1=O Amb24755633 [1,0,0,1,0,0|2,0,0]=4 1021 B11R1.180 CCCCCC1CSCC1O Amb24755618 [1,0,0,1,0,0|1,0,1]=4 1022 B11R1.180 CCCCCN1CCCC1=O Amb20621968 [1,0,0,1,0,0|2,0,0]=4 1023 B11R1.180 CCCCC[C@@H]1CCCC1=O Amb24766745 [1,0,0,1,0,0|1,0,0]=3 1024 B11R1.180 CCCCC[C@H]1CCCC1=O Amb24766930 [1,0,0,1,0,0|1,0,0]=3 1025 B11R1.180 CCCCNC1CCCC1O Amb18303638 [1,0,0,1,0,0|1,0,1]=4 1026 B11R1.180 CCCCOC1CCCC1O Amb18799957 [1,0,0,1,0,0|1,0,1]=4 1027 B11R1.180 CCCCSC1CCCC1O Amb18180458 [1,0,0,1,0,0|1,0,1]=4 1028 B11R1.180 CCCCS[C@@H]1CCC[C@H]1O Amb25382577 [1,0,0,1,0,0|1,0,1]=4 1029 B11R1.180 CCOCCC1CCCC1=O Amb18177471 [1,0,0,1,0,0|2,0,0]=4 1030 B11R1.180 CCOCCC1CCCC1O Amb18183285 [1,0,0,1,0,0|1,0,1]=4 1031 B11R1.180 CN1CCCC1CCCCO Amb24750381 [1,0,0,1,0,0|1,0,1]=4 1032 B11R1.180 COCCCC1CCCC1=O Amb18787632 [1,0,0,1,0,0|2,0,0]=4 1033 B11R1.180 COCCCC1CCCC1O Amb18183284 [1,0,0,1,0,0|1,0,1]=4 1034 B11R1.180 NC1CCCC1OCCCO Amb25379527 [1,0,0,1,0,0|2,0,0]=4 1035 B11R1.180 NCCCNC1CCCC1O Amb18183300 [1,0,0,1,0,0|2,0,0]=4 1036 B11R1.180 NCCNCC1CCCC1O Amb25379709 [1,0,0,1,0,0|2,0,0]=4 1037 B11R1.180 OC1CCCC1CCCC=O Amb25383522 [1,0,0,1,0,0|1,0,0]=3 1038 B11R1.180 OC1CCCC1NCCCF Amb24755099 [1,0,0,1,0,0|2,0,0]=4 1039 B11R1.180 OC1CCCC1NCCCO Amb18303311 [1,0,0,1,0,0|2,0,0]=4 1040 B11R1.180 OC1CSCC1CCCCO Amb24755626 [1,0,0,1,0,0|2,0,0]=4 1041 B11R1.180 OCCCCC1CSCC1=O Amb24755632 [1,0,0,1,0,0|2,0,0]=4 1042 B11R1.180 O[C@@H]1CCC[C@H]1SCCCO Amb25382579 [1,0,0,1,0,0|2,0,0]=4 1043 B11R1.203 BrCCCC1CCCCCC1 Amb25836156 [1,0,0,1,0,0|1,0,1]=4 1044 B11R1.203 BrCCCC=1CCCCCC1 Amb25835978 [1,0,0,1,0,0|1,0,1]=4 1045 B11R1.203 C=CCCC1CCCCCN1 Amb24418713 [1,0,0,1,0,0|1,0,0]=3 1046 B11R1.203 C=CCCN1CCCNCC1 Amb25689879 [1,0,0,1,0,0|2,0,0]=4 1047 B11R1.203 C=CCCN1CCCSCC1 Amb25115366 [1,0,0,1,0,0|2,0,0]=4 1048 B11R1.203 C=CCOC1CCCNCC1 Amb25083125 [1,0,0,1,0,0|2,0,0]=4 1049 B11R1.203 C=COCC1CCCCCC1 Amb25125424 [1,0,0,1,0,0|1,0,0]=3 1050 B11R1.203 CCCCC1CCCCCN1 Amb2235485 [1,0,0,1,0,0|1,0,1]=4 1051 B11R1.203 ClCCOC1CCCCCO1 Amb24366502 [1,0,0,1,0,0|2,0,0]=4 1052 B11R1.203 Cl[Zn]CCC1CCCCCC1 Amb22897735 [1,0,0,1,0,0|2,0,0]=4 1053 B11R1.203 NCCCC1CCCCCC1 Amb25113900 [1,0,0,1,0,0|1,0,1]=4 1054 B11R1.203 NCCCC1CCCCCN1 Amb24511786 [1,0,0,1,0,0|2,0,0]=4 1055 B11R1.203 O=CCCC1CCCCCN1 Amb24710330 [1,0,0,1,0,0|2,0,0]=4 1056 B11R1.203 O=CCCN1CCCCCC1 Amb18177425 [1,0,0,1,0,0|2,0,0]=4 1057 B11R1.203 O=CCOC1CCCCCC1 Amb18183074 [1,0,0,1,0,0|2,0,0]=4 1058 B11R1.203 OCCCC1=CCCCCO1 Amb25058522 [1,0,0,1,0,0|1,0,1]=4 1059 B11R1.203 OCCCC1C=CCCCO1 Amb25261765 [1,0,0,1,0,0|1,0,0]=3 1060 B11R1.203 OCCCC1CCC=CC=C1 Amb25058570 [1,0,0,1,0,0|0,0,2]=4 1061 B11R1.203 OCCCC1CCCCC=C1 Amb24355173 [1,0,0,1,0,0|0,0,0]=2 1062 B11R1.203 OCCCC1CCCCCN1 Amb18199937 [1,0,0,1,0,0|1,0,0]=3 1063 B11R1.203 OCCCC1CCCNCC1 Amb23453247 [1,0,0,1,0,0|1,0,1]=4 1064 B11R1.203 OCCCC=1CCCCCC1 Amb24638137 [1,0,0,1,0,0|0,0,1]=3 1065 B11R1.203 OCCOC1CCCCC=C1 Amb24577377 [1,0,0,1,0,0|1,0,0]=3 1066 B11R1.203 OCCOC1CCCCCC1 Amb18799958 [1,0,0,1,0,0|1,0,1]=4 1067 B11R1.248 BrCC1CCCCCCCC1 Amb25780640 [1,0,0,1,0,0|1,0,1]=4 1068 B11R1.248 OCC1C=CCCCCC=C1 Amb25236541 [1,0,0,1,0,0|0,0,2]=4 1069 B11R1.248 OCC1CCCCCCC#C1 Amb25263018 [1,0,0,1,0,0|0,0,2]=4 1070 B11R1.248 OCC1CCCCCCCC1 Amb25083477 [1,0,0,1,0,0|0,0,1]=3 1071 B13R1.119 CCCCCCCCC1OCCO1 Amb22364938 [0,1,0,1,0,0|0,0,2]=4 1072 B13R1.119 O=CCCCCCCC1OCCO1 Amb24490278 [0,1,0,1,0,0|1,0,0]=3 1073 B13R1.119 OCCCCCCCC1OCCO1 Amb25855845 [0,1,0,1,0,0|1,0,1]=4 1074 B13R1.226 OCCC1CCCCCCC(=O)O1 Amb25284567 [0,1,0,1,0,0|1,0,0]=3 1075 B13R1.229 OCCC1CC=CCCCCCC1 Amb25287105 [0,1,0,1,0,0|0,0,0]=2 1076 B13R1.229 OCCC=1CC=CCCCCCC1 Amb24553700 [0,1,0,1,0,0|0,0,2]=4 1077 B13R1.229 OCCN1CCCCCCCCC1 Amb25317623 [0,1,0,1,0,0|0,0,2]=4 1078 B13R1.279 O=C1CCCCCCCCCCC1 Amb1935123 [0,1,0,1,0,0|1,0,1]=4 1079 B13R1.279 O=C1CCCCCCCCCCN1 Amb22011853 [0,1,0,1,0,0|1,0,1]=4 1080 B13R1.279 O=C1NCCCCCCCCCN1 Amb24616274 [0,1,0,1,0,0|2,0,0]=4 1081 B13R1.279 OC1C=CCCCCCCCC=C1 Amb25129797 [0,1,0,1,0,0|0,0,1]=3 1082 B13R1.279 OC1CC=CC=CCCCCCC1 Amb25346412 [0,1,0,1,0,0|0,0,2]=4 1083 B13R1.279 OC1CCCCCCCCCCO1 Amb24495296 [0,1,0,1,0,0|0,0,2]=4 1084 B13R1.463 C=CCC(=O)C1CCCCCC1N Amb25791344 [0,1,0,1,0,0|1,0,1]=4 1085 B13R1.463 CC(CCC)C1CCCCCC1=O Amb24657103 [0,1,0,1,0,0|2,0,0]=4 1086 B13R1.463 CC(CCC)C1CCCCCC1O Amb24410525 [0,1,0,1,0,0|0,0,2]=4 1087 B13R1.463 CC(CCO)C1CCCCCC1=O Amb24430985 [0,1,0,1,0,0|1,0,0]=3 1088 B13R1.463 CN(CCO)C1CCCCCC1=O Amb18323283 [0,1,0,1,0,0|2,0,0]=4 1089 B13R1.464 C\C(=C\C=C)\C1CCCCC1CO Amb24672735 [0,1,0,1,0,0|0,0,2]=4 1090 B13R1.470 C=CCC(=O)NC1CCCCC1O Amb18325874 [0,1,0,1,0,0|1,0,1]=4 1091 B13R1.603 C=CC1=CCCCCCCCC1O Amb25823092 [0,1,0,1,0,0|0,0,1]=3 1092 B13R1.603 C=CC1CCCCCCCCC1=O Amb25287600 [0,1,0,1,0,0|0,0,1]=3 1093 B13R1.603 C=C[C@@H]1CCCCCCC=C[C@H]1O Amb24675629 [0,1,0,1,0,0|0,0,1]=3 1094 B13R1.603 N#CC1CCCCCCCCC1=O Amb24494980 [0,1,0,1,0,0|2,0,0]=4 1095 B13R1.603 O=CC1CCCCCCCCC1=O Amb25287227 [0,1,0,1,0,0|1,0,1]=4 1096 B13R1.603 O=CC1CCCCCCCCC1Cl Amb24469324 [0,1,0,1,0,0|1,0,1]=4 1097 B13R1.603 O\C=C/1\CCCCCCCCC1=O Amb25346342 [0,1,0,1,0,0|0,0,2]=4 1098 B13R1.654 CCCCCCCC1CCOC1=O Amb22230225 [0,1,0,1,0,0|2,0,0]=4 1099 B13R1.654 CCCCCCCN1CCCC1=O Amb20621393 [0,1,0,1,0,0|2,0,0]=4 1100 B13R1.1293 C\C=C\[C@]1(O)CCCCC[C@@H]1CO Amb25179825 [0,1,0,1,0,0|0,0,2]=4 1101 B13R1.1464 C=CCC(N)C=1CCCCCCC1 Amb25222034 [0,1,0,1,0,0|1,0,1]=4 1102 B13R1.1464 CN(CCN)C1CCCCCC=C1 Amb24533344 [0,1,0,1,0,0|2,0,0]=4 1103 B13R1.1464 NC(CCO)C1CCCCCCC1 Amb24705063 [0,1,0,1,0,0|0,0,2]=4 1104 B13R1.2792 OC1CCOC(=O)CCCCCC1 Amb24462040 [0,1,0,1,0,0|1,0,0]=3 1105 B13R1.3516 C=CCCC1CCCC(O)C1C#N Amb24704482 [0,1,0,1,0,0|1,0,1]=4 1106 B13R1.3516 N#C[C@H]1[C@H](CCCO)CCC[C@@H]1O Amb25369349 [0,1,0,1,0,0|1,0,1]=4 1107 B13R1.3914 CCC1CCCCCC(CCO)O1 Amb24430096 [0,1,0,1,0,0|0,0,2]=4 1108 B13R1.3914 CC[C@@H]1CCCCC[C@H](CCO)O1 Amb24576461 [0,1,0,1,0,0|0,0,2]=4 1109 B13R1.9128 C=CCC1(O)CCCCCCC1=O Amb24417193 [0,1,0,1,0,0|0,0,2]=4 1110 B13R1.9128 CC1(CC=C)CCCCCCC1=O Amb25350952 [0,1,0,1,0,0|0,0,2]=4 1111 B13R1.28 C=CCCCOCC1CCNCC1 Amb21957485 [0,1,0,1,0,0|2,0,0]=4 1112 B13R1.28 C=CCCCOCC1CNCCC1 Amb21957479 [0,1,0,1,0,0|2,0,0]=4 1113 B13R1.28 Cl[Mg]CCCCOC1CCCCO1 Amb22897357 [0,1,0,1,0,0|2,0,0]=4 1114 B13R1.28 OCCCNCCC1=CCCCC1 Amb17309071 [0,1,0,1,0,0|0,0,2]=4 1115 B13R1.34 C#CCCCC1CCCCCC1O Amb24688460 [0,1,0,1,0,0|0,0,2]=4 1116 B13R1.34 CC#CCCC1CCCCCC1O Amb24463422 [0,1,0,1,0,0|0,0,2]=4 1117 B13R1.34 CC1CCCCCC1NC\C=C\C Amb25263767 [0,1,0,1,0,0|2,0,0]=4 1118 B13R1.34 C\C=C\CNC1CCCCCC1Cl Amb24751343 [0,1,0,1,0,0|2,0,0]=4 1119 B13R1.34 C\C=C\CNC1CCCCCC1O Amb25142819 [0,1,0,1,0,0|1,0,0]=3 1120 B13R1.34 N#CCCNC1CCCCCC1O Amb25096072 [0,1,0,1,0,0|1,0,1]=4 1121 B13R1.34 NC1CCCCCC1OC\C=C\Cl Amb25755104 [0,1,0,1,0,0|2,0,0]=4 1122 B13R1.84 C\C=C\C=C[C@@H]1CCCC[C@H]1CO Amb25206609 [0,1,0,1,0,0|0,0,2]=4 1123 B13R1.154 C#CCOC1CCCCCCC1O Amb25332127 [0,1,0,1,0,0|0,0,2]=4 1124 B13R1.154 C=CCOC1CCCCCCC1O Amb25670731 [0,1,0,1,0,0|0,0,0]=2 1125 B13R1.154 C=CCO[C@@H]1CCCCCC[C@@H]1O Amb24547043 [0,1,0,1,0,0|0,0,0]=2 1126 B13R1.154 CCCC[C@H]1C=CCCCC[C@@H]1O Amb24588248 [0,1,0,1,0,0|1,0,0]=3 1127 B13R1.154 CCCOC1CCCCCCC1O Amb19075956 [0,1,0,1,0,0|0,0,2]=4 1128 B13R1.154 COCOC1CCCCCCC1O Amb24648293 [0,1,0,1,0,0|1,0,1]=4 1129 B13R1.154 O=C1CCCCCCN1CCCS Amb25792227 [0,1,0,1,0,0|1,1,0]=4 1130 B13R1.154 O=CCCC1CCCCCCC1=O Amb25190625 [0,1,0,1,0,0|1,0,1]=4 1131 B13R1.154 OC1CCCCCCC1OCCO Amb25787389 [0,1,0,1,0,0|1,0,1]=4 1132 B13R1.154 OCCCC1CCCCCCC1=O Amb24457861 [0,1,0,1,0,0|0,0,1]=3 1133 B13R1.203 N[C@@H]1CCCCCCCCC[C@H]1O Amb24553817 [0,1,0,1,0,0|0,0,2]=4 1134 B13R1.203 O=C1CCCCCCCCCC1Cl Amb24561040 [0,1,0,1,0,0|1,0,1]=4 1135 B13R1.203 OC1CCCCCCCCCC1O Amb25680531 [0,1,0,1,0,0|0,0,2]=4 1136 B13R1.203 OC1CCCCOCCCCC1O Amb24474151 [0,1,0,1,0,0|1,0,1]=4 1137 B13R1.225 N#CCN1CCCCCC1CCO Amb25050995 [0,1,0,1,0,0|1,0,1]=4 1138 B13R1.378 NCCN1CCCCCCCC1=O Amb24650951 [0,1,0,1,0,0|2,0,0]=4 1139 B13R1.485 CNCCN1CCCCC1CCO Amb18319356 [0,1,0,1,0,0|1,0,1]=4 1140 B13R1.485 OCCC1CCCCN1CCCCl Amb20573209 [0,1,0,1,0,0|1,0,1]=4 1141 B13R1.489 O=CCCN1CCCCCCCC1 Amb24411095 [0,1,0,1,0,0|2,0,0]=4 1142 B13R1.555 CC1=CCCCC1CCC#CCO Amb24588309 [0,1,0,1,0,0|0,0,2]=4 1143 B13R1.555 CCCCCCC1CCCCC1=O Amb19045128 [0,1,0,1,0,0|1,0,1]=4 1144 B13R1.555 COCCCN[C@@H]1CCCC[C@@H]1O Amb23263430 [0,1,0,1,0,0|1,0,1]=4 1145 B13R1.570 C=CCNC1CCCCCC1C#N Amb18300957 [0,1,0,1,0,0|1,0,1]=4 1146 B13R1.570 Cl\C=C\CN1CCCCCC1CCl Amb25828684 [0,1,0,1,0,0|2,0,0]=4 1147 B13R1.570 N#CC1CCCCCC1NCCO Amb18996807 [0,1,0,1,0,0|1,0,1]=4 1148 B13R1.570 OCC1CCCCCN1C\C=C\Cl Amb25804557 [0,1,0,1,0,0|1,0,0]=3 1149 B13R1.579 CCCCN1CCCC1CCCO Amb19075562 [0,1,0,1,0,0|0,0,2]=4 1150 B13R1.623 O=CC1CCCCCCCCC=C1 Amb24706997 [0,1,0,1,0,0|0,0,1]=3 1151 B13R1.659 CCCCCCCCCC[C@@H]1CO1 Amb22353251 [0,1,0,1,0,0|0,0,2]=4 1152 B13R1.1150 C\C=C\CNC1CCCCCCC1 Amb24689718 [0,1,0,1,0,0|2,0,0]=4 1153 B13R1.1150 O=CNCCC1CCCCCCC1 Amb25195820 [0,1,0,1,0,0|2,0,0]=4 1154 B13R1.1887 C=CCSCCN1CCCCCC1 Amb21983522 [0,1,0,1,0,0|2,0,0]=4 1155 B13R1.156 C=CCCCC(=O)CC1OCCO1 Amb24428458 [0,1,0,1,0,0|1,0,1]=4 1156 B13R1.156 C=CCCCC(N)CC1OCCO1 Amb25757051 [0,1,0,1,0,0|1,0,0]=3 1157 B13R1.156 C=CCCCC(O)CC1OCCO1 Amb24380977 [0,1,0,1,0,0|1,0,0]=3 1158 B13R1.486 OCCCC1CCCCCC(=O)N1 Amb18191307 [0,1,0,1,0,0|1,0,0]=3 1159 B13R1.486 OCCCC1CCCCCC(=O)O1 Amb24569922 [0,1,0,1,0,0|1,0,0]=3 1160 B13R1.486 OCCOC1CC(=O)CCCCC1 Amb25226428 [0,1,0,1,0,0|1,0,1]=4 1161 B13R1.1148 C#CCCCC1CC(O)CCCC1 Amb25376214 [0,1,0,1,0,0|0,0,2]=4 1162 B13R1.1627 CC1CCCCC(=O)N1CCCO Amb24475117 [0,1,0,1,0,0|2,0,0]=4 1163 B13R1.1627 CCCC[C@@H]1[C@@H](O)CCCCC1=C Amb25212257 [0,1,0,1,0,0|1,0,0]=3 1164 B13R1.3803 OC1CCCCNC(=O)CCCC1 Amb24694118 [0,1,0,1,0,0|2,0,0]=4 1165 B13R1.27 CCCCCCCC1CCC(=O)O1 Amb1154110 [0,1,0,1,0,0|2,0,0]=4 1166 B13R1.44 C=CCNC(=O)CC1CCCCO1 Amb16948312 [0,1,0,1,0,0|1,0,1]=4 1167 B13R1.487 CCCC[C@H]1CCCC[C@H](O)C=C1 Amb25176986 [0,1,0,1,0,0|1,0,0]=3 1168 B13R1.656 CC1CC(CCCC#C)C(O)CC1 Amb24380024 [0,1,0,1,0,0|0,0,2]=4 1169 B13R1.1927 CC1CCN(CCCO)C(=O)CC1 Amb25703971 [0,1,0,1,0,0|2,0,0]=4 1170 B13R1.1958 CC1(CCCO)CCCCCC1O Amb24704659 [0,1,0,1,0,0|1,0,1]=4 1171 B13R1.1958 C[C@@]1(CCCO)CCCCC[C@H]1O Amb25332319 [0,1,0,1,0,0|1,0,1]=4 1172 B13R1.1959 OCC#CC1(O)CCCCCC=C1 Amb24532004 [0,1,0,1,0,0|0,0,2]=4 1173 B13R1.2436 CC1(CCCCCC=O)OCCO1 Amb25192473 [0,1,0,1,0,0|2,0,0]=4 1174 B13R1.4018 CCCC1C(CCCCC1O)CO Amb25344871 [0,1,0,1,0,0|0,0,2]=4 1175 B13R1.90 C=C(Cl)CNC1CCCCC1CN Amb24769229 [0,1,0,1,0,0|2,0,0]=4 1176 B13R1.90 CC(=O)NCC1CCCCC1CO Amb24400354 [0,1,0,1,0,0|1,0,1]=4 1177 B13R1.90 NC(=N)NCC1CCCCC1CO Amb24695405 [0,1,0,1,0,0|2,0,0]=4 1178 B13R1.90 NC(=O)NCC1CCCCC1CO Amb24400446 [0,1,0,1,0,0|2,0,0]=4 1179 B13R1.90 OCC1CCCCN1CCC(O)=O Amb19076440 [0,1,0,1,0,0|2,0,0]=4 1180 B13R1.158 OC(=O)CCCC1CCCCC1=O Amb17594755 [0,1,0,1,0,0|1,0,1]=4 1181 B13R1.224 CC(=O)N1CCCCCC1CCO Amb25077814 [0,1,0,1,0,0|1,0,1]=4 1182 B13R1.224 CC(C)C1CCCCCN1CC=C Amb24576376 [0,1,0,1,0,0|2,0,0]=4 1183 B13R1.224 CCCC1CCCCCC1C(O)=O Amb24377494 [0,1,0,1,0,0|2,0,0]=4 1184 B13R1.280 C=C(Br)COC1CCCCCC1N Amb24724506 [0,1,0,1,0,0|2,0,0]=4 1185 B13R1.280 C=C(Cl)CNC1CCCCCC1O Amb25683811 [0,1,0,1,0,0|1,0,0]=3 1186 B13R1.280 CC(=C)CCC1CCCCCC1Br Amb25274665 [0,1,0,1,0,0|1,0,0]=3 1187 B13R1.280 CC(=C)CCC1CCCCCC1Cl Amb24389910 [0,1,0,1,0,0|1,0,0]=3 1188 B13R1.280 CC(C)=CCC1CCCCCC1O Amb19074198 [0,1,0,1,0,0|0,0,2]=4 1189 B13R1.280 CC(C)=CC[C@@H]1CCCCC[C@H]1O Amb24588400 [0,1,0,1,0,0|0,0,2]=4 1190 B13R1.280 CC(C)CCC1CCCCCC1=O Amb18324532 [0,1,0,1,0,0|2,0,0]=4 1191 B13R1.280 CC(C)CCC1CCCCCC1O Amb18328653 [0,1,0,1,0,0|0,0,2]=4 1192 B13R1.280 CC(O)CCC1CCCCCC1=O Amb25726182 [0,1,0,1,0,0|1,0,0]=3 1193 B13R1.280 CC(O)CCC1CCCCCC1O Amb24395895 [0,1,0,1,0,0|0,0,2]=4 1194 B13R1.280 CC(O)CCC1CCCCNC1=O Amb25153793 [0,1,0,1,0,0|2,0,0]=4 1195 B13R1.280 CC(O)CCN1CCCCCC1=O Amb19075285 [0,1,0,1,0,0|2,0,0]=4 1196 B13R1.280 CC1CCCCCN1CCC(C)=C Amb24719429 [0,1,0,1,0,0|2,0,0]=4 1197 B13R1.280 CS(=O)CCC1CCCCCC1O Amb25243805 [0,1,0,1,0,0|1,0,1]=4 1198 B13R1.280 NC(=O)CNC1CCCCCC1O Amb18970437 [0,1,0,1,0,0|2,0,0]=4 1199 B13R1.280 OC(=O)CCC1CCCCCC1=O Amb18822898 [0,1,0,1,0,0|1,0,1]=4 1200 B13R1.283 CC(=O)N[C@@H]1CCCCCC[C@H]1O Amb24656143 [0,1,0,1,0,0|1,0,1]=4 1201 B13R1.283 CC(=O)O[C@@H]1CCCCCC[C@@H]1O Amb25366144 [0,1,0,1,0,0|1,0,1]=4 1202 B13R1.283 CC(O)CN1CCCCCCC1=O Amb19057980 [0,1,0,1,0,0|2,0,0]=4 1203 B13R1.283 C[C@H](O)CN1CCCCCCC1=O Amb24424297 [0,1,0,1,0,0|2,0,0]=4 1204 B13R1.283 OC(=O)CC1CCCCCCC1=O Amb25187867 [0,1,0,1,0,0|1,0,1]=4 1205 B13R1.337 CC(=C)COCCC1CCCCN1 Amb21956773 [0,1,0,1,0,0|2,0,0]=4 1206 B13R1.337 OC(=O)CCCCC1CCCCC1 Amb22336378 [0,1,0,1,0,0|2,0,0]=4 1207 B13R1.343 OC(=O)CCCCCC1OCCO1 Amb25124123 [0,1,0,1,0,0|2,0,0]=4 1208 B13R1.380 CC(=O)N[C@@H]1CCCC[C@H]1CCO Amb25287161 [0,1,0,1,0,0|1,0,1]=4 1209 B13R1.380 CCCC1CCCCC1CC(O)=O Amb22339365 [0,1,0,1,0,0|2,0,0]=4 1210 B13R1.572 C=CCNC1CCCCC1C(O)=O Amb22585760 [0,1,0,1,0,0|1,0,1]=4 1211 B13R1.610 C=C(Br)CN1CCCCCC1CO Amb24529546 [0,1,0,1,0,0|1,0,0]=3 1212 B13R1.610 CC(=C)CC1CCCCCC1CN Amb24715363 [0,1,0,1,0,0|1,0,0]=3 1213 B13R1.610 CC(=O)CN1CCCCCC1CO Amb24417527 [0,1,0,1,0,0|1,0,1]=4 1214 B13R1.610 CCC1CCCCCN1CC(=C)Br Amb24548670 [0,1,0,1,0,0|2,0,0]=4 1215 B13R1.610 CCC1CCCCCN1CC(=C)Cl Amb24450900 [0,1,0,1,0,0|2,0,0]=4 1216 B13R1.610 CNC1CCCCCC1CC(C)=C Amb24619093 [0,1,0,1,0,0|2,0,0]=4 1217 B13R1.610 NC(=S)CN1CCCCCC1CO Amb24635193 [0,1,0,1,0,0|2,0,0]=4 1218 B13R1.610 OCC1CCCCCC1CC(O)=O Amb25101626 [0,1,0,1,0,0|1,0,0]=3 1219 B13R1.610 OCC1CCCCCN1CC(O)=O Amb25696335 [0,1,0,1,0,0|2,0,0]=4 1220 B13R1.614 CCC1CCCCCCC1C(O)=O Amb24710104 [0,1,0,1,0,0|2,0,0]=4 1221 B13R1.1009 OC(=O)C1CCCCCCCCC1 Amb25061287 [0,1,0,1,0,0|2,0,0]=4 1222 B13R1.1022 CC(=C)CNC1CCCCCCC1 Amb17308786 [0,1,0,1,0,0|2,0,0]=4 1223 B13R1.1022 CC(=O)CCC1CCCCCCC1 Amb25120339 [0,1,0,1,0,0|1,0,1]=4 1224 B13R1.1022 CC(C)NCC1CCCCCC=C1 Amb25738787 [0,1,0,1,0,0|2,0,0]=4 1225 B13R1.1022 CC(N)CSC1CCCCCC=C1 Amb25103165 [0,1,0,1,0,0|2,0,0]=4 1226 B13R1.1022 CC(O)CCC1CCCCCCC1 Amb25260363 [0,1,0,1,0,0|0,0,2]=4 1227 B13R1.1022 OC(=O)CNC1CCCCCC=C1 Amb25277891 [0,1,0,1,0,0|1,0,1]=4 1228 B13R1.1022 OC(=O)CSC1CCCCCC=C1 Amb25075314 [0,1,0,1,0,0|1,0,1]=4 1229 B13R1.1107 OC(=O)CC1CCCCCCCC1 Amb25279551 [0,1,0,1,0,0|2,0,0]=4 1230 B13R1.3712 CC1(O)CCCCCCCCC1O Amb25036035 [0,1,0,1,0,0|0,0,2]=4 1231 B13R1.3816 NC1CCCCCCCC1C(O)=O Amb24436959 [0,1,0,1,0,0|2,0,0]=4 1232 B13R1.527 C=CC(=O)NC1CCCCCC1O Amb25156061 [0,1,0,1,0,0|1,0,1]=4 1233 B13R1.527 CC(CC1CCCCCC1=O)CC Amb19074206 [0,1,0,1,0,0|2,0,0]=4 1234 B13R1.527 CC(CC1CCCCCC1O)CC Amb18328654 [0,1,0,1,0,0|0,0,2]=4 1235 B13R1.527 CC(CC1CCCCCC1O)OC Amb24544139 [0,1,0,1,0,0|1,0,1]=4 1236 B13R1.527 CC(CC1CCCCNC1=O)CO Amb25155659 [0,1,0,1,0,0|2,0,0]=4 1237 B13R1.527 CC1CCCCCC1NC(C)C=C Amb24385604 [0,1,0,1,0,0|2,0,0]=4 1238 B13R1.527 OC(CC1CCCCNC1=O)CO Amb25198223 [0,1,0,1,0,0|2,0,0]=4 1239 B13R1.527 OC1CCCCCC1CC(O)CF Amb24620365 [0,1,0,1,0,0|1,0,1]=4 1240 B13R1.528 C\C(\C=C)=C\CC1CCCCC1O Amb25098570 [0,1,0,1,0,0|0,0,2]=4 1241 B13R1.546 C=CC(O)C1CCCCCCC1=O Amb24495497 [0,1,0,1,0,0|0,0,2]=4 1242 B13R1.546 C=CC(O)C1CCCCCCC1O Amb25346070 [0,1,0,1,0,0|0,0,0]=2 1243 B13R1.1689 CCC(O)C1CCCCCCC=C1 Amb24688107 [0,1,0,1,0,0|1,0,0]=3 1244 B13R1.1689 CC[C@H](O)[C@H]1CCCCCCC=C1 Amb24592489 [0,1,0,1,0,0|1,0,0]=3 1245 B13R1.1870 CC(C=C)NC1CCCCCCC1 Amb25360649 [0,1,0,1,0,0|2,0,0]=4 1246 B13R1.1870 CC(CC)NC1CCCCCC=C1 Amb25195810 [0,1,0,1,0,0|2,0,0]=4 1247 B13R1.1870 CC(CO)SC1CCCCCC=C1 Amb25277892 [0,1,0,1,0,0|1,0,0]=3 1248 B13R1.3819 OC1CCCCCCCC(=O)C1=O Amb25097840 [0,1,0,1,0,0|1,0,1]=4 1249 B13R1.3908 C=CC1(O)CCCCCC1CCO Amb25296106 [0,1,0,1,0,0|0,0,0]=2 1250 B13R1.3908 C=C[C@]1(O)CCCCC[C@@H]1CCO Amb25206650 [0,1,0,1,0,0|0,0,0]=2 1251 B13R1.3908 C=C[C@]1(O)CCCCC[C@H]1CCO Amb25236138 [0,1,0,1,0,0|0,0,0]=2 1252 B13R2.1 C=CCN1CCC2CCCCC12 Amb25730724 [0,0,0,2,0,0|2,0,0]=4 1253 B13R2.1 C=CCN1CC[C@H]2CCCC[C@@H]12 Amb25853862 [0,0,0,2,0,0|2,0,0]=4 1254 B13R2.1 O=CCC1CCC2CCCC=C12 Amb18646127 [0,0,0,2,0,0|0,0,2]=4 1255 B13R2.1 OCCC1COC2CCCCC21 Amb25048598 [0,0,0,2,0,0|1,0,1]=4 1256 B13R2.3 C1NCCCC1C2CCCCO2 Amb25377354 [0,0,0,2,0,0|1,0,1]=4 1257 B13R2.6 OCC1CCCC12CCCCC2 Amb24415504 [0,0,0,2,0,0|0,0,2]=4 1258 B13R2.6 OC[C@H]1CCC[C@]12CCCCN2 Amb25268211 [0,0,0,2,0,0|1,0,1]=4 1259 B13R2.14 O=C1CCCCC12CCCCN2 Amb25071832 [0,0,0,2,0,0|2,0,0]=4 1260 B13R2.14 O=C1CCCCC12OCCCO2 Amb25282687 [0,0,0,2,0,0|2,0,0]=4 1261 B13R2.14 O=C1CCCOC12CCCCO2 Amb24422369 [0,0,0,2,0,0|2,0,0]=4 1262 B13R2.14 OC1CCCCC12CC=CCC2 Amb25156761 [0,0,0,2,0,0|0,0,2]=4 1263 B13R2.14 OC1CCCCC12CCCCC2 Amb24497790 [0,0,0,2,0,0|0,0,2]=4 1264 B13R2.14 OC1CCCCC12CNCCC2 Amb18647219 [0,0,0,2,0,0|1,0,1]=4 1265 B13R2.14 O[C@@H]1CCCC[C@@]12CCCCN2 Amb24744796 [0,0,0,2,0,0|1,0,1]=4 1266 B13R2.14 O[C@@H]1CCCC[C@]12CNCCC2 Amb24629733 [0,0,0,2,0,0|1,0,1]=4 1267 B13R2.14 O[C@H]1CCCC[C@@]12CCCCN2 Amb24617334 [0,0,0,2,0,0|1,0,1]=4 1268 B13R2.15 CC1CCCN1C2CCCC=C2 Amb25154472 [0,0,0,2,0,0|2,0,0]=4 1269 B13R2.15 O=C1CCCC1C2CCCC=C2 Amb25793020 [0,0,0,2,0,0|0,0,2]=4 1270 B13R2.15 O=C1CCCC1C2CCCCC2 Amb18798696 [0,0,0,2,0,0|2,0,0]=4 1271 B13R2.15 O=C1CCCC1C2CCCCN2 Amb24602251 [0,0,0,2,0,0|2,0,0]=4 1272 B13R2.15 O=C1CCCC1C2CCCCO2 Amb25808120 [0,0,0,2,0,0|1,0,0]=3 1273 B13R2.15 O=C1CCCC1C2OCCCO2 Amb24434635 [0,0,0,2,0,0|2,0,0]=4 1274 B13R2.15 OC1CCCC1C2CCCCC2 Amb18799275 [0,0,0,2,0,0|0,0,2]=4 1275 B13R2.15 OC1CCCC1C2CNCCC2 Amb24492834 [0,0,0,2,0,0|1,0,1]=4 1276 B13R2.15 OC1CCCC1C2COCCC2 Amb25158136 [0,0,0,2,0,0|1,0,1]=4 1277 B13R2.15 OC1CSCC1C2CCCC=C2 Amb25297806 [0,0,0,2,0,0|1,0,0]=3 1278 B13R2.15 O[C@@H]1CCC[C@H]1C2CCCCC2 Amb25261897 [0,0,0,2,0,0|0,0,2]=4 1279 B13R2.17 CC1CC1CNC2CCCC=C2 Amb25188106 [0,0,0,2,0,0|2,0,0]=4 1280 B13R2.27 O=C1CCC1CC2CCCCC2 Amb25713657 [0,0,0,2,0,0|2,0,0]=4 1281 B13R2.50 OCC1CC1CC2CCCCC2 Amb25141297 [0,0,0,2,0,0|0,0,2]=4 1282 B13R2.64 C(C1CCCCN1)C2CCCO2 Amb18967410 [0,0,0,2,0,0|1,0,1]=4 1283 B13R2.64 C(C1CCCO1)C2CCCCC2 Amb24472262 [0,0,0,2,0,0|0,0,2]=4 1284 B13R2.64 C1CCC(OC2CCCC=C2)O1 Amb22752553 [0,0,0,2,0,0|1,0,0]=3 1285 B13R2.64 C1CCCC1NC2CCCC=C2 Amb25760438 [0,0,0,2,0,0|2,0,0]=4 1286 B13R2.64 C1CCCC1SC2CCCC=C2 Amb25687741 [0,0,0,2,0,0|2,0,0]=4 1287 B13R2.64 C1CCCCC1NC2CCC=C2 Amb25301388 [0,0,0,2,0,0|2,0,0]=4 1288 B13R2.64 C1NCCCC1CC2CCCO2 Amb21959216 [0,0,0,2,0,0|1,0,1]=4 1289 B13R2.510 C=CCNC1CC2CCC1CC2 Amb25669854 [0,0,0,2,0,0|2,0,0]=4 1290 B13R2.1028 C=CCCN1C[C@H]2CCCC[C@@H]12 Amb25834159 [0,0,0,2,0,0|2,0,0]=4 1291 B13R2.1613 O=CC1CCCC2CCCCC21 Amb25044373 [0,0,0,2,0,0|2,0,0]=4 1292 B13R2.1613 OCC1CC=CC2CCCCC21 Amb25845413 [0,0,0,2,0,0|0,0,2]=4 1293 B13R2.1613 OCC1CCCC2CCCNC21 Amb24595799 [0,0,0,2,0,0|1,0,1]=4 1294 B13R2.1613 OCC1CCCC2CCCOC21 Amb24403840 [0,0,0,2,0,0|1,0,1]=4 1295 B13R2.1613 OC[C@@H]1CC=C[C@@H]2CCCC[C@H]21 Amb24520461 [0,0,0,2,0,0|0,0,2]=4 1296 B13R2.1613 OC[C@@H]1CCC[C@H]2CCCCN21 Amb24539336 [0,0,0,2,0,0|1,0,1]=4 1297 B13R2.1613 OC[C@H]1CCC[C@@H]2CCCN[C@@H]21 Amb24617830 [0,0,0,2,0,0|1,0,1]=4 1298 B13R2.1613 OC[C@H]1CCC[C@H]2CCCN[C@H]21 Amb24595435 [0,0,0,2,0,0|1,0,1]=4 1299 B13R2.2383 C(NC1CCCC=C1)C2CCC2 Amb24693431 [0,0,0,2,0,0|2,0,0]=4 1300 B13R2.5252 O=C1C=CCC[C@@H]2CCCC[C@H]12 Amb25179688 [0,0,0,2,0,0|0,0,2]=4 1301 B13R2.5252 O=C1CCCCC2C=CCCC12 Amb25370590 [0,0,0,2,0,0|0,0,2]=4 1302 B13R2.5252 O=C1CCCCC2CCCC=C12 Amb24416717 [0,0,0,2,0,0|0,0,2]=4 1303 B13R2.5252 O=C1CCCCC2CCCCC12 Amb25712919 [0,0,0,2,0,0|2,0,0]=4 1304 B13R2.5252 O=C1CCCCC2OCCCC12 Amb25319992 [0,0,0,2,0,0|1,0,0]=3 1305 B13R2.5252 O=C1CCCC[C@@H]2CCCC=C12 Amb25059719 [0,0,0,2,0,0|0,0,2]=4 1306 B13R2.5252 O=C1CCCC[C@H]2C=CCC[C@@H]12 Amb24608587 [0,0,0,2,0,0|0,0,2]=4 1307 B13R2.5252 O=C1CCCC[C@H]2CCCC[C@H]12 Amb25263095 [0,0,0,2,0,0|2,0,0]=4 1308 B13R2.5252 O=C1OCCCN2CCCCC21 Amb25066893 [0,0,0,2,0,0|2,0,0]=4 1309 B13R2.5252 OC1CCCCC2CCCCC21 Amb25107683 [0,0,0,2,0,0|0,0,2]=4 1310 B13R2.5252 O[C@H]1CCCC[C@H]2CCCC[C@@H]21 Amb25345052 [0,0,0,2,0,0|0,0,2]=4 1311 B13R2.208 O=C1CCCCCC12CCCC2 Amb25202509 [0,0,0,2,0,0|2,0,0]=4 1312 B13R2.208 O=C1CCCCCC12CCCO2 Amb25839242 [0,0,0,2,0,0|1,0,0]=3 1313 B13R2.208 OC1CCCCCC12CCCC2 Amb24517519 [0,0,0,2,0,0|0,0,2]=4 1314 B13R2.208 OC1CCCCCC12CNCC2 Amb18825880 [0,0,0,2,0,0|1,0,1]=4 1315 B13R2.344 CC=1CCC2CC1CCCC2O Amb25136233 [0,0,0,2,0,0|0,0,2]=4 1316 B13R2.344 CC=1CC[C@H]2CC1CCC[C@H]2O Amb25332414 [0,0,0,2,0,0|0,0,2]=4 1317 B13R2.383 C=C1CCC2C1CCCCC2=O Amb24422463 [0,0,0,2,0,0|0,0,2]=4 1318 B13R2.383 C=C1CCC=CC2C(O)CCC12 Amb24475045 [0,0,0,2,0,0|0,0,2]=4 1319 B13R2.383 C=C1CCC=C[C@@H]2C(O)CC[C@H]12 Amb25218886 [0,0,0,2,0,0|0,0,2]=4 1320 B13R2.499 CC12CC1CCCC2NCC=C Amb24351780 [0,0,0,2,0,0|2,0,0]=4 1321 B13R2.995 CCCC[C@@H]1[C@@H](O)C[C@H]2CC[C@H]21 Amb25344939 [0,0,0,2,0,0|0,0,2]=4 1322 B13R2.1035 CCCCC1CC2CCC2C1O Amb24430867 [0,0,0,2,0,0|0,0,2]=4 1323 B13R2.1421 C=C[C@@H]1C[C@H]2CCCC[C@H]1C2=O Amb24646454 [0,0,0,2,0,0|0,0,2]=4 1324 B13R2.1515 OC[C@@H]1C[C@H]2CCCCCN2O1 Amb24632505 [0,0,0,2,0,0|2,0,0]=4 1325 B13R2.1515 OC[C@H]1C[C@H]2CCCCCN2O1 Amb25221115 [0,0,0,2,0,0|2,0,0]=4 1326 B13R2.2438 CCCCC12CC1CCCC2=O Amb24378373 [0,0,0,2,0,0|2,0,0]=4 1327 B13R2.2438 CCCC[C@@]12C[C@@H]1CCCC2=O Amb24551556 [0,0,0,2,0,0|2,0,0]=4 1328 B13R2.2442 O=C1C[C@@H]2CCC[C@]12CCCCl Amb25172887 [0,0,0,2,0,0|2,0,0]=4 1329 B13R2.2453 CCCC[C@H]1[C@@H]2CCC[C@@H]2C1=O Amb25236971 [0,0,0,2,0,0|2,0,0]=4 1330 B13R2.3045 O=C1CCCCCN1C[C@H]2CO2 Amb25787721 [0,0,0,2,0,0|2,0,0]=4 1331 B13R2.3729 O=C1CCC2CCCCCC2N1 Amb25672141 [0,0,0,2,0,0|2,0,0]=4 1332 B13R2.3729 O=C1C[C@@H]2CCCCC[C@@H]2CC1 Amb25233750 [0,0,0,2,0,0|2,0,0]=4 1333 B13R2.3729 O=C1C[C@H]2CCCCC[C@@H]2CC1 Amb24512411 [0,0,0,2,0,0|2,0,0]=4 1334 B13R2.3729 O=C1NCC2CCCCCC2O1 Amb25378885 [0,0,0,2,0,0|2,0,0]=4 1335 B13R2.3729 O=C1NC[C@@H]2CCCCC[C@@H]2O1 Amb25276457 [0,0,0,2,0,0|2,0,0]=4 1336 B13R2.3729 OC1CC2CCCCCC2CC1 Amb25725466 [0,0,0,2,0,0|0,0,2]=4 1337 B13R2.3729 OC1CC2CCCCC[C@@H]2CC1 Amb24630763 [0,0,0,2,0,0|0,0,2]=4 1338 B13R2.3729 O[C@@H]1C[C@H]2CCCCC[C@@H]2CC1 Amb25234376 [0,0,0,2,0,0|0,0,2]=4 1339 B13R2.3729 O[C@H]1CC2CCCCCC2CC1 Amb25734414 [0,0,0,2,0,0|0,0,2]=4 1340 B13R2.3757 OC1CCC2CCCCCC12O Amb24544342 [0,0,0,2,0,0|1,0,1]=4 1341 B13R2.3757 O[C@]12CCCCC[C@@H]1CCC2=O Amb24608604 [0,0,0,2,0,0|1,0,0]=3 1342 B13R2.3757 O[C@]12CCCCC[C@H]1CNC2=S Amb24617699 [0,0,0,2,0,0|2,0,0]=4 1343 B13R2.3893 O=C1C2CCCCC1CCCC2 Amb25066455 [0,0,0,2,0,0|2,0,0]=4 1344 B13R2.3893 O=C1[C@@H]2CCCC[C@@H]1CCCC2 Amb25128939 [0,0,0,2,0,0|2,0,0]=4 1345 B13R2.3893 O=C1[C@@H]2CCCC[C@H]1CCCC2 Amb25319985 [0,0,0,2,0,0|2,0,0]=4 1346 B13R2.4901 O=C1CCCCCC1C2CCC2 Amb24712009 [0,0,0,2,0,0|2,0,0]=4 1347 B13R2.4901 OC1CCCCCC1C2CCC2 Amb24566011 [0,0,0,2,0,0|0,0,2]=4 1348 B13R2.5 O=CC1CCCCC12CCCC2 Amb18646650 [0,0,0,2,0,0|2,0,0]=4 1349 B13R2.18 O=C1CCCCC1C2CCCC2 Amb18798695 [0,0,0,2,0,0|2,0,0]=4 1350 B13R2.18 O=C1CCCCC1C2CCCN2 Amb20667669 [0,0,0,2,0,0|2,0,0]=4 1351 B13R2.18 O=C1CCCCC1C2CCCN2 Amb22157204 [0,0,0,2,0,0|2,0,0]=4 1352 B13R2.18 O=C1CCCCC1C2CCCO2 Amb25370820 [0,0,0,2,0,0|1,0,0]=3 1353 B13R2.18 O=C1CCCCC1C2OCCO2 Amb25359158 [0,0,0,2,0,0|2,0,0]=4 1354 B13R2.18 OC1CCCCC1C2CCCC2 Amb18799274 [0,0,0,2,0,0|0,0,2]=4 1355 B13R2.18 OC1CCCCC1C2CCCN2 Amb25088113 [0,0,0,2,0,0|1,0,1]=4 1356 B13R2.18 OC1CCCCC1C2COCC2 Amb25266207 [0,0,0,2,0,0|1,0,1]=4 1357 B13R2.29 ClC1CCCC1CC2CCCO2 Amb19072172 [0,0,0,2,0,0|1,0,1]=4 1358 B13R2.29 NC1CCCC1CC2CCCO2 Amb18801471 [0,0,0,2,0,0|1,0,1]=4 1359 B13R2.29 O=C1CCCC1CC2CCCC2 Amb18177839 [0,0,0,2,0,0|2,0,0]=4 1360 B13R2.29 O=C1CCCC1CC2CCCO2 Amb18799108 [0,0,0,2,0,0|1,0,0]=3 1361 B13R2.29 O=C1CCCC1CC2OCCO2 Amb24709380 [0,0,0,2,0,0|2,0,0]=4 1362 B13R2.29 OC1CCCC1CC2CCCC2 Amb18805996 [0,0,0,2,0,0|0,0,2]=4 1363 B13R2.29 OC1CCCC1CC2CCCO2 Amb18801884 [0,0,0,2,0,0|1,0,1]=4 1364 B13R2.37 O=CCC1CCCC12OCCO2 Amb25202714 [0,0,0,2,0,0|2,0,0]=4 1365 B13R2.183 C(CC1CCCN1)C2CCCO2 Amb25093262 [0,0,0,2,0,0|1,0,1]=4 1366 B13R2.183 C1C=CC(CCC2CCCO2)N1 Amb25777965 [0,0,0,2,0,0|1,0,0]=3 1367 B13R2.292 C=CCN1CCC[C@H]2OCC[C@@H]12 Amb24473794 [0,0,0,2,0,0|1,0,0]=3 1368 B13R2.292 C=CC[C@H]1CCCN2CCC[C@@H]21 Amb24068787 [0,0,0,2,0,0|2,0,0]=4 1369 B13R2.292 C=CC[C@H]1CCCN2CCC[C@H]21 Amb24068788 [0,0,0,2,0,0|2,0,0]=4 1370 B13R2.292 O=CCC1CCCC2CCCN21 Amb25086737 [0,0,0,2,0,0|2,0,0]=4 1371 B13R2.292 OCC[C@@H]1CCC[C@@H]2CCCN21 Amb24598283 [0,0,0,2,0,0|1,0,1]=4 1372 B13R2.468 OCCCC1CCC2CCCN21 Amb24362724 [0,0,0,2,0,0|1,0,1]=4 1373 B13R2.2520 OCCNCC1CC2CC1C=C2 Amb21955207 [0,0,0,2,0,0|1,0,0]=3 1374 B13R2.3047 O=C1CCCCCC2CCCN12 Amb22494063 [0,0,0,2,0,0|2,0,0]=4 1375 B13R2.3047 O=C1CCCCC[C@H]2C=CC[C@@H]12 Amb25370853 [0,0,0,2,0,0|0,0,2]=4 1376 B13R2.9 OCC1CCN2C1CCCC2=O Amb24404812 [0,0,0,2,0,0|2,0,0]=4 1377 B13R2.9 OC[C@@H]1CCN2[C@@H]1CCCC2=O Amb24583751 [0,0,0,2,0,0|2,0,0]=4 1378 B13R2.9 OC[C@@H]1CCN2[C@H]1CCCC2=O Amb25357621 [0,0,0,2,0,0|2,0,0]=4 1379 B13R2.9 OC[C@H]1CCN2[C@H]1CCCC2=O Amb25221515 [0,0,0,2,0,0|2,0,0]=4 1380 B13R2.70 C=CC[C@H]1C[C@@H]2CCC[C@@H]2C1=O Amb25252206 [0,0,0,2,0,0|0,0,2]=4 1381 B13R2.70 C\C=C\C1CC2CCCC2C1O Amb25129679 [0,0,0,2,0,0|0,0,2]=4 1382 B13R2.70 OCCC1CC2CCCC2C1=O Amb25306796 [0,0,0,2,0,0|1,0,0]=3 1383 B13R2.70 OCCC1CC2CCCN2C1=O Amb25048510 [0,0,0,2,0,0|2,0,0]=4 1384 B13R2.70 OCC[C@H]1C[C@@H]2CCCN2C1=O Amb25220622 [0,0,0,2,0,0|2,0,0]=4 1385 B13R2.209 C[C@@H]1[C@H]2CCC[C@@H]2CCCC1=O Amb25263622 [0,0,0,2,0,0|2,0,0]=4 1386 B13R2.209 C[C@H]1[C@H]2CCC[C@@H]2CCCC1=O Amb24583050 [0,0,0,2,0,0|2,0,0]=4 1387 B13R2.210 O=C1CCC2CCCC2CCC1 Amb25707525 [0,0,0,2,0,0|2,0,0]=4 1388 B13R2.210 O=C1CCC2CCCC2CCN1 Amb25324607 [0,0,0,2,0,0|2,0,0]=4 1389 B13R2.2093 C=CC1CCC2CCCCNC21 Amb24428241 [0,0,0,2,0,0|2,0,0]=4 1390 B13R2.2351 N#C[C@]12CCC[C@H]1CCC[C@H]2O Amb25221521 [0,0,0,2,0,0|1,0,1]=4 1391 B13R2.2488 OC[C@H]1C[C@@H]2C[C@H]1CC[C@@H]2C=O Amb25245404 [0,0,0,2,0,0|1,0,0]=3 1392 B13R2.6697 C\C=C/1\CCC2CCCC12CO Amb25280260 [0,0,0,2,0,0|0,0,2]=4 1393 B13R2.283 C\C=C\C1C2CCCC2CC1O Amb25266425 [0,0,0,2,0,0|0,0,2]=4 1394 B13R2.283 OCCC1C2COCC2CC1=O Amb24722945 [0,0,0,2,0,0|2,0,0]=4 1395 B13R2.335 OC1CCCC2CCC1OC2=O Amb24403767 [0,0,0,2,0,0|2,0,0]=4 1396 B13R2.335 O[C@H]1CCC[C@H]2CC[C@@H]1OC2=O Amb24748523 [0,0,0,2,0,0|2,0,0]=4 1397 B13R2.372 O=C1CCCCCCC1C2CC2 Amb25768528 [0,0,0,2,0,0|2,0,0]=4 1398 B13R2.2956 CCC[C@H]1[C@@H]2CCCC[C@@H]2C1=O Amb24612437 [0,0,0,2,0,0|2,0,0]=4 1399 B13R2.3312 OC12CCCCCCC1CC2=O Amb24537748 [0,0,0,2,0,0|1,0,0]=3 1400 B13R2.3312 O[C@@H]1C[C@@H]2CCCCCC[C@]12O Amb24698621 [0,0,0,2,0,0|1,0,1]=4 1401 B13R2.3680 O=C1CCC2CCCC1CCC2 Amb24591402 [0,0,0,2,0,0|2,0,0]=4 1402 B13R2.3907 O=C1C2CCCCCC1CC=C2 Amb25319988 [0,0,0,2,0,0|0,0,2]=4 1403 B13R2.3907 OC1[C@H]2CCC[C@H]1CCCCC2 Amb25356311 [0,0,0,2,0,0|0,0,2]=4 1404 B13R2.4129 C=CC[C@H]1CCC[C@@H]2C[C@@H]2C1=O Amb24690633 [0,0,0,2,0,0|0,0,2]=4 1405 B13R2.4688 O=C1N[C@@H]2CCCCCC[C@@H]2O1 Amb25289252 [0,0,0,2,0,0|2,0,0]=4 1406 B13R2.4688 O=C1N[C@H]2CCCCCC[C@@H]2O1 Amb25343907 [0,0,0,2,0,0|2,0,0]=4 1407 B13R2.4688 OC1CC2CCCCCCC2=C1 Amb25115934 [0,0,0,2,0,0|0,0,0]=2 1408 B13R2.4688 OC1CC2CCCCCCC2C1 Amb24362736 [0,0,0,2,0,0|0,0,2]=4 1409 B13R2.4688 OC1CC2CCCCCCC2O1 Amb25686182 [0,0,0,2,0,0|1,0,1]=4 1410 B13R2.7787 C=C[C@@H]1[C@H]2[C@H](O)CCCCC[C@H]21 Amb24515387 [0,0,0,2,0,0|0,0,0]=2 1411 B13R2.45 OC1C2CCCCC2CC1CO Amb24748213 [0,0,0,2,0,0|1,0,1]=4 1412 B13R2.45 OCC1CC2CCCCC2C1=O Amb25347607 [0,0,0,2,0,0|1,0,0]=3 1413 B13R2.45 O[C@H]1[C@H]2CCCC[C@H]2C[C@H]1CO Amb25306519 [0,0,0,2,0,0|1,0,1]=4 1414 B13R2.135 CCC1C2CCCCC2CC1=O Amb25053002 [0,0,0,2,0,0|2,0,0]=4 1415 B13R2.135 OCC1[C@H]2CCCC[C@@H]2OC1=O Amb25239362 [0,0,0,2,0,0|2,0,0]=4 1416 B13R2.135 O[C@@H]1C[C@H]2CCCC[C@H]2[C@H]1CO Amb25175231 [0,0,0,2,0,0|1,0,1]=4 1417 B13R2.135 O[C@H]1C[C@H]2CCCC[C@H]2[C@H]1CO Amb25175232 [0,0,0,2,0,0|1,0,1]=4 1418 B13R2.386 CC1CCCCC2CCC1C2=O Amb25839284 [0,0,0,2,0,0|2,0,0]=4 1419 B13R2.386 O[C@H]1CCCC[C@@H]2CC[C@H]1C2=O Amb24512648 [0,0,0,2,0,0|1,0,0]=3 1420 B13R2.599 COC1CC2CCCC2CC1O Amb25198867 [0,0,0,2,0,0|1,0,1]=4 1421 B13R2.599 N#CC1CC2CCCC2CC1O Amb24688051 [0,0,0,2,0,0|1,0,1]=4 1422 B13R2.599 OCN1C[C@H]2CCC[C@@H]2CC1=O Amb24748396 [0,0,0,2,0,0|2,0,0]=4 1423 B13R2.2352 C=C1CCC2CCCCC12CO Amb24493581 [0,0,0,2,0,0|0,0,0]=2 1424 B13R2.2352 C[C@@H]1CC[C@@H]2CCCC[C@@]21CO Amb25205051 [0,0,0,2,0,0|0,0,2]=4 1425 B13R2.2352 C[C@H]1CC[C@@H]2CCCC[C@@]21C=O Amb25358894 [0,0,0,2,0,0|2,0,0]=4 1426 B13R2.2352 N#CC12CCCCC1CCC2O Amb24379816 [0,0,0,2,0,0|1,0,1]=4 1427 B13R2.3625 OC1CCCCCCCC12CC2 Amb25156912 [0,0,0,2,0,0|0,0,2]=4 1428 B13R2.4787 O=C1CC2CCCCCCC=C12 Amb25729211 [0,0,0,2,0,0|0,0,2]=4 1429 B13R2.4787 O=C1CC2CCCCCCCC12 Amb24434617 [0,0,0,2,0,0|2,0,0]=4 1430 B13R2.32 CC1C2CCCCC2CCC1=O Amb24059409 [0,0,0,2,0,0|2,0,0]=4 1431 B13R2.32 CC1CC[C@H]2CCCC[C@@H]2C1=O Amb24512415 [0,0,0,2,0,0|2,0,0]=4 1432 B13R2.32 CC1[C@@H]2CCCC[C@H]2CCC1=O Amb24736227 [0,0,0,2,0,0|2,0,0]=4 1433 B13R2.32 CC=1C(O)CCC2CCCCC12 Amb25058463 [0,0,0,2,0,0|0,0,2]=4 1434 B13R2.32 CC=1[C@@H](O)CC[C@H]2CCCCC12 Amb25221039 [0,0,0,2,0,0|0,0,2]=4 1435 B13R2.32 C[C@H]1[C@H](O)CC[C@H]2CCCC[C@@H]21 Amb24748354 [0,0,0,2,0,0|0,0,2]=4 1436 B13R2.32 NC1CC[C@H]2CCCC[C@@H]2[C@H]1O Amb24610214 [0,0,0,2,0,0|1,0,1]=4 1437 B13R2.32 O=C1C(Cl)CCC2CCCCC12 Amb24426281 [0,0,0,2,0,0|2,0,0]=4 1438 B13R2.32 O=C1C(F)CCC2CCCCC12 Amb24736430 [0,0,0,2,0,0|2,0,0]=4 1439 B13R2.32 O=C1CCC2CCCCC2C1F Amb25751548 [0,0,0,2,0,0|2,0,0]=4 1440 B13R2.32 O=C1CC[C@H]2CCCC[C@@H]2C1F Amb25245348 [0,0,0,2,0,0|2,0,0]=4 1441 B13R2.32 O=C1CC[C@H]2CCCC[C@@H]2[C@@H]1Cl Amb25232965 [0,0,0,2,0,0|2,0,0]=4 1442 B13R2.32 O=C1[C@H](Cl)CC[C@H]2CCCC[C@H]12 Amb24550117 [0,0,0,2,0,0|2,0,0]=4 1443 B13R2.32 O=C1[C@H](F)CC[C@@H]2CCCCC12 Amb24059957 [0,0,0,2,0,0|2,0,0]=4 1444 B13R2.32 OC1CCC2CCCCC2C1=O Amb24647786 [0,0,0,2,0,0|1,0,0]=3 1445 B13R2.32 OC1CCC2CCCCC2C1Cl Amb25311196 [0,0,0,2,0,0|1,0,1]=4 1446 B13R2.32 OC1CCC2CCCCC2C1F Amb25056889 [0,0,0,2,0,0|1,0,1]=4 1447 B13R2.32 OC1CCC2CCCCC2C1O Amb25206579 [0,0,0,2,0,0|1,0,1]=4 1448 B13R2.32 OC1CCC2CCCCN2C1=O Amb25769399 [0,0,0,2,0,0|2,0,0]=4 1449 B13R2.32 O[C@@H]1CC[C@H]2CCCC[C@@H]2[C@H]1Cl Amb25228499 [0,0,0,2,0,0|1,0,1]=4 1450 B13R2.32 O[C@@H]1CC[C@H]2CCCC[C@@H]2[C@H]1F Amb24515508 [0,0,0,2,0,0|1,0,1]=4 1451 B13R2.32 O[C@@H]1[C@H](Cl)CC[C@H]2CCCC[C@@H]21 Amb24519205 [0,0,0,2,0,0|1,0,1]=4 1452 B13R2.32 O[C@H]1CC[C@H]2CCCC[C@@H]2[C@H]1Cl Amb25172920 [0,0,0,2,0,0|1,0,1]=4 1453 B13R2.32 O[C@H]1[C@@H](Cl)CC[C@H]2CCCC[C@@H]21 Amb24617758 [0,0,0,2,0,0|1,0,1]=4 1454 B13R2.32 O[C@H]1[C@@H](F)CC[C@H]2CCCC[C@@H]21 Amb24705848 [0,0,0,2,0,0|1,0,1]=4 1455 B13R2.33 ClC1CCC2CCCOC2C=C1 Amb25758626 [0,0,0,2,0,0|2,0,0]=4 1456 B13R2.33 O=C1CCC2CCCCC2CC1 Amb24723947 [0,0,0,2,0,0|2,0,0]=4 1457 B13R2.57 O=CC1C[C@H]2CCCC[C@H]2CC1 Amb25216160 [0,0,0,2,0,0|2,0,0]=4 1458 B13R2.57 OCC1CC2CCCCC2CN1 Amb25068328 [0,0,0,2,0,0|1,0,1]=4 1459 B13R2.57 OCC1CC2CCCCC2NC1 Amb24732073 [0,0,0,2,0,0|1,0,1]=4 1460 B13R2.57 OCC1CCC2CCC=CC2=C1 Amb24735000 [0,0,0,2,0,0|0,0,2]=4 1461 B13R2.57 OCC1CN2CCCCC2CC1 Amb24537796 [0,0,0,2,0,0|1,0,1]=4 1462 B13R2.57 OCC1C[C@H]2CCCC[C@H]2CC1 Amb25343826 [0,0,0,2,0,0|0,0,2]=4 1463 B13R2.57 OC[C@@H]1CN2CCCCC2CC1 Amb25043833 [0,0,0,2,0,0|1,0,1]=4 1464 B13R2.57 OC[C@@H]1C[C@@H]2CCCC[C@@H]2CN1 Amb24682531 [0,0,0,2,0,0|1,0,1]=4 1465 B13R2.57 OC[C@H]1CN2CCCC[C@@H]2CC1 Amb24588426 [0,0,0,2,0,0|1,0,1]=4 1466 B13R2.89 CCC1CCCCC12CC2CO Amb25039106 [0,0,0,2,0,0|0,0,2]=4 1467 B13R2.489 C=CCCN1C2CCCC1CC2 Amb25051911 [0,0,0,2,0,0|2,0,0]=4 1468 B13R2.489 FCCCN1C2CCC1CC=C2 Amb25683232 [0,0,0,2,0,0|2,0,0]=4 1469 B13R2.489 OCCCN1C2CCC1CC=C2 Amb25072199 [0,0,0,2,0,0|1,0,0]=3 1470 B13R2.509 CCCC[C@@H]1C[C@H]2CC[C@@H]1C2O Amb24632547 [0,0,0,2,0,0|0,0,2]=4 1471 B13R2.571 C=CC1CN2CCC1CC2CCl Amb25691411 [0,0,0,2,0,0|2,0,0]=4 1472 B13R2.571 C=CC1CN2CCC1CC2CN Amb25674212 [0,0,0,2,0,0|2,0,0]=4 1473 B13R2.571 C=CC1CN2CC[C@H]1C[C@@H]2CO Amb25350483 [0,0,0,2,0,0|1,0,0]=3 1474 B13R2.571 C=C[C@H]1CN2CCC1C[C@@H]2CO Amb22338582 [0,0,0,2,0,0|1,0,0]=3 1475 B13R2.571 C=C[C@H]1CN2CC[C@@H]1C[C@@H]2CO Amb25174829 [0,0,0,2,0,0|1,0,0]=3 1476 B13R2.571 C=C[C@H]1CN2CC[C@H]1C[C@@H]2CCl Amb24647500 [0,0,0,2,0,0|2,0,0]=4 1477 B13R2.571 C=C[C@H]1CN2CC[C@H]1C[C@H]2CCl Amb24606377 [0,0,0,2,0,0|2,0,0]=4 1478 B13R2.571 C=C[C@H]1CN2CC[C@H]1C[C@H]2CO Amb25174835 [0,0,0,2,0,0|1,0,0]=3 1479 B13R2.571 NC[C@H]1C[C@@H]2CC[N@]1C[C@@H]2C=C Amb17937677 [0,0,0,2,0,0|2,0,0]=4 1480 B13R2.571 OCC1CC2CCN1CC2C=C Amb16227052 [0,0,0,2,0,0|1,0,0]=3 1481 B13R2.571 OC[C@@H]1C[C@H]2CC[C@@H]1C[C@H]2CO Amb25256649 [0,0,0,2,0,0|1,0,1]=4 1482 B13R2.573 CC[C@H]1CCC[C@H]2[C@@H]1CCC2=O Amb25179745 [0,0,0,2,0,0|2,0,0]=4 1483 B13R2.573 COC1CCCC2C(O)CCC21 Amb24362743 [0,0,0,2,0,0|1,0,1]=4 1484 B13R2.573 COC1CCC[C@@H]2[C@@H](O)CC[C@H]21 Amb24733224 [0,0,0,2,0,0|1,0,1]=4 1485 B13R2.573 COC1CCC[C@@H]2[C@H](O)CC[C@H]21 Amb25306470 [0,0,0,2,0,0|1,0,1]=4 1486 B13R2.573 OCC1CCCN2C1CCC2=O Amb25057790 [0,0,0,2,0,0|2,0,0]=4 1487 B13R2.573 OC[C@@H]1CCCN2[C@@H]1CCC2=O Amb25357378 [0,0,0,2,0,0|2,0,0]=4 1488 B13R2.573 OC[C@@H]1CCCN2[C@H]1CCC2=O Amb24613811 [0,0,0,2,0,0|2,0,0]=4 1489 B13R2.573 OC[C@H]1CCCN2[C@@H]1CCC2=O Amb25285668 [0,0,0,2,0,0|2,0,0]=4 1490 B13R2.573 OC[C@H]1CCC[C@H]2[C@@H]1CCC2=O Amb25263054 [0,0,0,2,0,0|1,0,0]=3 1491 B13R2.621 C=CC1CCCCN1CC2CC2 Amb24352914 [0,0,0,2,0,0|2,0,0]=4 1492 B13R2.7258 O=C[C@@]12CCCC[C@@H]1CCCC2 Amb25119298 [0,0,0,2,0,0|2,0,0]=4 1493 B13R2.7258 OCC12CC=CCC1CCCC2 Amb25188282 [0,0,0,2,0,0|0,0,2]=4 1494 B13R2.7258 OC[C@]12CCCC[C@@H]1CCCC2 Amb24687989 [0,0,0,2,0,0|0,0,2]=4 1495 B13R2.369 CC1CC2CCCCC2CC1O Amb24534398 [0,0,0,2,0,0|0,0,2]=4 1496 B13R2.369 CC1C[C@@H]2CCCC[C@H]2CC1=O Amb24736301 [0,0,0,2,0,0|2,0,0]=4 1497 B13R2.369 CC1C[C@H]2CCCC[C@@H]2CC1=O Amb24690677 [0,0,0,2,0,0|2,0,0]=4 1498 B13R2.369 C[C@@H]1CC2CCCCC2CC1=O Amb25358979 [0,0,0,2,0,0|2,0,0]=4 1499 B13R2.369 C[C@@H]1C[C@H]2CCCC[C@@H]2C[C@@H]1O Amb25176943 [0,0,0,2,0,0|0,0,2]=4 1500 B13R2.369 C[C@H]1C[C@H]2CCCC[C@@H]2C[C@@H]1O Amb25176603 [0,0,0,2,0,0|0,0,2]=4 1501 B13R2.369 NC1CC2CCCCC2CC1=O Amb24673684 [0,0,0,2,0,0|2,0,0]=4 1502 B13R2.369 N[C@@H]1C[C@H]2CCCC[C@@H]2C[C@H]1O Amb24563793 [0,0,0,2,0,0|1,0,1]=4 1503 B13R2.369 N[C@H]1C[C@H]2CCCC[C@@H]2C[C@@H]1O Amb25201507 [0,0,0,2,0,0|1,0,1]=4 1504 B13R2.369 N[C@H]1C[C@H]2CCCC[C@H]2CC1=O Amb25245329 [0,0,0,2,0,0|2,0,0]=4 1505 B13R2.369 N[C@H]1C[C@H]2CCCC[C@H]2C[C@H]1O Amb24519157 [0,0,0,2,0,0|1,0,1]=4 1506 B13R2.369 O=C1C[C@H]2CCCC[C@@H]2CC1F Amb24604786 [0,0,0,2,0,0|2,0,0]=4 1507 B13R2.369 OC1CN2CCCCC2CC1=O Amb24342235 [0,0,0,2,0,0|2,0,0]=4 1508 B13R2.369 OC1C[C@@H]2CCCC[C@@H]2OC1=O Amb25253550 [0,0,0,2,0,0|2,0,0]=4 1509 B13R2.369 O[C@@H]1C[C@@H]2CCCC[C@@H]2C[C@@H]1O Amb25225982 [0,0,0,2,0,0|1,0,1]=4 1510 B13R2.369 O[C@@H]1C[C@H]2CCCC[C@@H]2C[C@H]1Cl Amb25210831 [0,0,0,2,0,0|1,0,1]=4 1511 B13R2.369 O[C@@H]1C[C@H]2CCCC[C@@H]2C[C@H]1S Amb24618733 [0,0,0,2,0,0|1,0,1]=4 1512 B13R2.369 O[C@H]1CC2CCCCC2C[C@@H]1Cl Amb24519206 [0,0,0,2,0,0|1,0,1]=4 1513 B13R2.369 O[C@H]1C[C@H]2CCCC[C@@H]2C[C@@H]1F Amb25266723 [0,0,0,2,0,0|1,0,1]=4 1514 B13R2.369 O[C@H]1C[C@H]2CCCC[C@@H]2C[C@H]1Cl Amb25210843 [0,0,0,2,0,0|1,0,1]=4 1515 B13R2.369 O[C@H]1C[C@H]2CCCC[C@@H]2C[C@H]1F Amb25256527 [0,0,0,2,0,0|1,0,1]=4 1516 B13R2.4745 OC1CC2CCCCCC2C1O Amb25357353 [0,0,0,2,0,0|1,0,1]=4 1517 B13R2.4821 CC12CCCCC1CCCC2=O Amb25077647 [0,0,0,2,0,0|2,0,0]=4 1518 B13R2.4821 C[C@@]12CCCCC1CCC[C@@H]2O Amb24618786 [0,0,0,2,0,0|0,0,2]=4 1519 B13R2.4821 C[C@@]12CCCC[C@@H]1CCCC2=O Amb25262768 [0,0,0,2,0,0|2,0,0]=4 1520 B13R2.4821 C[C@@]12CCCC[C@H]1CCCC2=O Amb24714916 [0,0,0,2,0,0|2,0,0]=4 1521 B13R2.4821 C[C@]12CCCC[C@@H]1CCCC2=O Amb25179516 [0,0,0,2,0,0|2,0,0]=4 1522 B13R2.4821 C[C@]12CCCC[C@H]1CCCC2=O Amb24706902 [0,0,0,2,0,0|2,0,0]=4 1523 B13R2.4821 C[C@]12CCCC[C@H]1CCC[C@@H]2O Amb25272286 [0,0,0,2,0,0|0,0,2]=4 1524 B13R2.4821 C[C@]12CCCC[C@H]1CCC[C@H]2O Amb25220988 [0,0,0,2,0,0|0,0,2]=4 1525 B13R2.4821 N[C@H]1CCC[C@@H]2CCCC[C@]21O Amb24632648 [0,0,0,2,0,0|1,0,1]=4 1526 B13R2.4821 N[C@H]1CCC[C@H]2CCCC[C@]21O Amb24613878 [0,0,0,2,0,0|1,0,1]=4 1527 B13R2.4821 O=C1CCCC2CCCCC12F Amb24378960 [0,0,0,2,0,0|2,0,0]=4 1528 B13R2.4821 OC1CCCC2CCCCC12O Amb24407449 [0,0,0,2,0,0|1,0,1]=4 1529 B13R2.4821 OC1CCCC2CCCCC21F Amb25343678 [0,0,0,2,0,0|1,0,1]=4 1530 B13R2.4821 O[C@@H]1CCC[C@H]2CCCC[C@@]21F Amb24515498 [0,0,0,2,0,0|1,0,1]=4 1531 B13R2.4821 O[C@@]12CCCC[C@@H]1CCCC2=O Amb24697735 [0,0,0,2,0,0|1,0,0]=3 1532 B13R2.4821 O[C@H]1CCC[C@H]2CCCC[C@@]21F Amb24515500 [0,0,0,2,0,0|1,0,1]=4 1533 B13R2.5226 OC1C#CCCCCCC2CC21 Amb25226274 [0,0,0,2,0,0|0,0,2]=4 1534 B13R2.5226 OC1CCCCCCCC2CC21 Amb25048534 [0,0,0,2,0,0|0,0,2]=4 1535 B13R2.5226 O[C@@H]1CCCCCCC[C@@H]2C[C@H]21 Amb25175284 [0,0,0,2,0,0|0,0,2]=4 1536 B13R2.5254 CC12CCCC1CCCCC2=O Amb24724075 [0,0,0,2,0,0|2,0,0]=4 1537 B13R2.5254 C[C@]12CCC[C@H]1CCCCC2=O Amb24655093 [0,0,0,2,0,0|2,0,0]=4 1538 B13R2.5254 OC1CCCCC2CCCC12O Amb25344919 [0,0,0,2,0,0|1,0,1]=4 1539 B13R2.5254 O[C@]12CCC[C@@H]1CCCCC2=O Amb24512689 [0,0,0,2,0,0|1,0,0]=3 1540 B13R2.163 O=C1CC2CCCCC2CCN1 Amb25159400 [0,0,0,2,0,0|2,0,0]=4 1541 B13R2.163 O=C1CCCC2CCCCC2N1 Amb25123830 [0,0,0,2,0,0|2,0,0]=4 1542 B13R2.4079 C=CCN1C2CCCC1CCC2 Amb24581973 [0,0,0,2,0,0|2,0,0]=4 1543 B13R2.9743 C=CCC12CCCC1CCCN2 Amb24399197 [0,0,0,2,0,0|1,0,0]=3 1544 B13R2.9743 C=CCC12CCCCC1CCN2 Amb25731870 [0,0,0,2,0,0|1,0,0]=3 1545 B13R2.9743 C=CC[C@@]12CCC[C@@H]1CCCN2 Amb24642014 [0,0,0,2,0,0|1,0,0]=3 1546 B13R2.26 C=CCN1CC2CCCCC2C1 Amb24458372 [0,0,0,2,0,0|2,0,0]=4 1547 B13R2.26 N#CCC1CC2CCCCC2O1 Amb25372793 [0,0,0,2,0,0|1,0,1]=4 1548 B13R2.26 NCCC1CC2CCCCC2O1 Amb25093558 [0,0,0,2,0,0|1,0,1]=4 1549 B13R2.26 NOCC1CC2CCCCC2O1 Amb24631379 [0,0,0,2,0,0|2,0,0]=4 1550 B13R2.26 O=CCC1CC2CCCCC2O1 Amb24707015 [0,0,0,2,0,0|1,0,0]=3 1551 B13R2.26 OCCC1CC2CCCCN2C1 Amb24675521 [0,0,0,2,0,0|1,0,1]=4 1552 B13R2.9439 O=CC1C2C=CCCCCCC21 Amb25735239 [0,0,0,2,0,0|0,0,2]=4 1553 B13R2.9439 OCC1C2C=CCCCCCC21 Amb25680534 [0,0,0,2,0,0|0,0,0]=2 1554 B13R2.9439 OCC1[C@@H]2C=CCCCCC[C@@H]21 Amb24515447 [0,0,0,2,0,0|0,0,0]=2 1555 B13R2.218 O=C1CCCCC2CCCC2=C1 Amb24364204 [0,0,0,2,0,0|0,0,2]=4 1556 B13R2.218 O=C1CCCCC2CCCC2N1 Amb24682761 [0,0,0,2,0,0|2,0,0]=4 1557 B13R2.218 O=C1CCCC[C@@H]2CCC[C@@H]2N1 Amb25256754 [0,0,0,2,0,0|2,0,0]=4 1558 B13R2.218 OC1CC2CCCC2CC=CC1 Amb25080238 [0,0,0,2,0,0|0,0,2]=4 1559 B13R2.218 O[C@H]1C[C@H]2CCC[C@H]2CC=CC1 Amb25346199 [0,0,0,2,0,0|0,0,2]=4 1560 B13R2.3342 O=C1CC2CC2CCCCCC1 Amb24706951 [0,0,0,2,0,0|2,0,0]=4 1561 B13R2.3672 O=C1C=CC2CCCCCCC12 Amb25735813 [0,0,0,2,0,0|0,0,2]=4 1562 B13R2.3672 O=C1C=C[C@@H]2CCCCCC[C@@H]12 Amb24706770 [0,0,0,2,0,0|0,0,2]=4 1563 B13R2.3672 OC1CCC=2CCCCCCC21 Amb25071697 [0,0,0,2,0,0|0,0,2]=4 1564 B13R2.3672 O[C@H]1OC[C@@H]2CCCCCC[C@@H]21 Amb25195868 [0,0,0,2,0,0|1,0,1]=4 1565 B13R2.4820 O=C1CCCC2CCCCCC12 Amb25370732 [0,0,0,2,0,0|2,0,0]=4 1566 B13R2.4820 O=C1CCCC2CCCCCN12 Amb24596906 [0,0,0,2,0,0|2,0,0]=4 1567 B13R2.4820 O=C1CCC[C@@H]2CCCCC[C@H]12 Amb24698878 [0,0,0,2,0,0|2,0,0]=4 1568 B13R2.4820 OC1CCCC=2CCCCCC21 Amb25369490 [0,0,0,2,0,0|0,0,2]=4 1569 B13R2.4820 OC1CCC[C@@H]2CCCCC[C@@H]21 Amb25215408 [0,0,0,2,0,0|0,0,2]=4 1570 B13R2.168 C=C1CCCCC12CCCC2=O Amb25092954 [0,0,0,2,0,0|0,0,2]=4 1571 B13R2.168 CC1CCCC12CCCCC2=O Amb17594143 [0,0,0,2,0,0|2,0,0]=4 1572 B13R2.168 CC1CCCCC12CCCC2O Amb25215412 [0,0,0,2,0,0|0,0,2]=4 1573 B13R2.168 C[C@@H]1CCCCC12CCCC2=O Amb24551494 [0,0,0,2,0,0|2,0,0]=4 1574 B13R2.168 C[C@H]1CCCC12CCCCC2=O Amb25347423 [0,0,0,2,0,0|2,0,0]=4 1575 B13R2.168 C[C@H]1CCCCC12CCCC2=O Amb25713056 [0,0,0,2,0,0|2,0,0]=4 1576 B13R2.168 OC1CCCC12CCCCC2=O Amb25730128 [0,0,0,2,0,0|1,0,0]=3 1577 B13R2.168 OC1CCCCC12CCCC2O Amb25852881 [0,0,0,2,0,0|1,0,1]=4 1578 B13R2.168 O[C@@H]1CCC[C@@]12CCCCC2=O Amb25371896 [0,0,0,2,0,0|1,0,0]=3 1579 B13R2.168 O[C@H]1CCC[C@@]12CCCCC2=O Amb24590950 [0,0,0,2,0,0|1,0,0]=3 1580 B13R2.342 CC=1CCCC2C(O)CCCC12 Amb24525576 [0,0,0,2,0,0|0,0,2]=4 1581 B13R2.342 CN1CCC[C@H]2[C@H](O)CCC[C@@H]12 Amb25257185 [0,0,0,2,0,0|1,0,1]=4 1582 B13R2.342 OC1CCCC2C1CCCC2=O Amb24408312 [0,0,0,2,0,0|1,0,0]=3 1583 B13R2.342 OC1CCC[C@H]2[C@H]1CCCC2=O Amb25322859 [0,0,0,2,0,0|1,0,0]=3 1584 B13R2.342 O[C@@H]1CCC[C@@H]2[C@@H]1CCCC2=O Amb24512567 [0,0,0,2,0,0|1,0,0]=3 1585 B13R2.342 O[C@H]1CCC[C@H]2[C@@H]1CCC[C@@H]2O Amb25317575 [0,0,0,2,0,0|1,0,1]=4 1586 B13R2.2411 OCCC1CC2CCCC1C2=O Amb25332767 [0,0,0,2,0,0|1,0,0]=3 1587 B13R2.3587 O=C1CCCCN1CCC2CO2 Amb25369119 [0,0,0,2,0,0|2,0,0]=4 1588 B13R2.179 C=C1CC1CCC2CCCC2O Amb24430011 [0,0,0,2,0,0|0,0,0]=2 1589 B13R2.179 C=C1C[C@H]1CC[C@@H]2CCCC2=O Amb25245293 [0,0,0,2,0,0|0,0,2]=4 1590 B13R2.1261 C=CCNC1CCCC12CCC2 Amb25227190 [0,0,0,2,0,0|2,0,0]=4 1591 B13R2.3152 O=C1CCCC1CCC2CCC2 Amb24542953 [0,0,0,2,0,0|2,0,0]=4 1592 B13R2.255 COCC1CCC2CCC1C2O Amb24362701 [0,0,0,2,0,0|1,0,1]=4 1593 B13R2.251 COC[C@@H]1CC[C@@H]2[C@@H](O)CC[C@H]12 Amb25257085 [0,0,0,2,0,0|1,0,1]=4 1594 B13R2.515 CCCC[C@@H]1C[C@@H]2C[C@H]1C[C@@H]2O Amb24520273 [0,0,0,2,0,0|0,0,2]=4 1595 B13R2.515 CCCC[C@@H]1C[C@@H]2C[C@H]1C[C@H]2O Amb25317518 [0,0,0,2,0,0|0,0,2]=4 1596 B13R2.600 OC[C@@H]1C[C@@H]2CCC[C@@H]2N1C=O Amb25234668 [0,0,0,2,0,0|2,0,0]=4 1597 B13R2.506 OCCCC1CC2C1CCC2=O Amb25751569 [0,0,0,2,0,0|1,0,0]=3 1598 B13R2.164 OCCCC1CC2CCCN2O1 Amb25069617 [0,0,0,2,0,0|2,0,0]=4 1599 B13R2.911 ClCCOC1C2C=CCCCC12 Amb24652404 [0,0,0,2,0,0|2,0,0]=4 1600 B13R2.911 O=CCCC1[C@H]2CCCCC[C@H]21 Amb24610734 [0,0,0,2,0,0|2,0,0]=4 1601 B13R2.181 OC1CCCC1C2CCCC2=O Amb25127075 [0,0,0,2,0,0|1,0,0]=3 1602 B13R2.181 OC1CCCC1N2CCCC2=O Amb25129344 [0,0,0,2,0,0|2,0,0]=4 1603 B13R2.181 O[C@@H]1CCC[C@H]1[C@H]2CCC[C@@H]2O Amb24556819 [0,0,0,2,0,0|1,0,1]=4 1604 B13R2.181 O[C@H]1CCC[C@@H]1[C@H]2CCC[C@@H]2O Amb24557135 [0,0,0,2,0,0|1,0,1]=4 1605 B13R2.181 O[C@H]1CCC[C@H]1[C@H]2CCC[C@H]2O Amb24520246 [0,0,0,2,0,0|1,0,1]=4 1606 B13R2.2290 C1NC1CCCCCCC2CO2 Amb24056763 [0,0,0,2,0,0|1,0,1]=4 1607 B13R2.2290 C1O[C@@H]1CCCCCC[C@@H]2CO2 Amb22367119 [0,0,0,2,0,0|1,0,1]=4 1608 B13R2.1411 OCC1CC1C2CCCCCC2 Amb25334148 [0,0,0,2,0,0|0,0,2]=4