0 B11R0.3 BrCCCCCCCCCCBr Amb2721556 [0,0,0,0,0,0|2,0,0]=2 1 B11R0.3 C#CCCCCCCCCCC Amb2721432 [0,0,0,0,0,0|1,0,1]=2 2 B11R0.3 C=CCCCCCCCCC=O Amb8513533 [0,0,0,0,0,0|0,0,4]=4 3 B11R0.3 C=CCCCCCCCCCBr Amb2691196 [0,0,0,0,0,0|1,0,2]=3 4 B11R0.3 C=CCCCCCCCCCC Amb3940486 [0,0,0,0,0,0|1,0,1]=2 5 B11R0.3 C=CCCCCCCCCCCl Amb2721562 [0,0,0,0,0,0|1,0,2]=3 6 B11R0.3 C=CCCCCCCCCCN Amb2721533 [0,0,0,0,0,0|1,0,2]=3 7 B11R0.3 C=CCCCCCCCCCO Amb2721673 [0,0,0,0,0,0|0,0,2]=2 8 B11R0.3 CCCCCCCCCCCBr Amb8514664 [0,0,0,0,0,0|1,0,0]=1 9 B11R0.3 CCCCCCCCCCCC Amb8513157 [0,0,0,0,0,0|1,0,0]=1 10 B11R0.3 CCCCCCCCCCCCl Amb9787117 [0,0,0,0,0,0|1,0,0]=1 11 B11R0.3 CCCCCCCCCCCN Amb3941511 [0,0,0,0,0,0|1,0,0]=1 12 B11R0.3 CCCCCCCCCCCO Amb6646062 [0,0,0,0,0,0|0,0,0]=0 13 B11R0.3 CCCCCCCCCCNC Amb33934687 [0,0,0,0,0,0|2,0,0]=2 14 B11R0.3 CCCCCCCCCCNC Amb9787067 [0,0,0,0,0,0|2,0,0]=2 15 B11R0.3 CCCCCCCCCN=C=S Amb2689944 [0,0,0,0,0,0|1,1,1]=3 16 B11R0.3 CCCCCCCCCN=[N+]=[N-] Amb18633019 [0,0,0,0,0,0|3,0,0]=3 17 B11R0.3 CCCCCCCCCNCC Amb7761767 [0,0,0,0,0,0|2,0,0]=2 18 B11R0.3 CCCCCCCCNCCN Amb18794624 [0,0,0,0,0,0|2,0,0]=2 19 B11R0.3 CCCCCCCCNCCN Amb22358941 [0,0,0,0,0,0|2,0,0]=2 20 B11R0.3 CCCCCCCCNCCO Amb7757629 [0,0,0,0,0,0|1,0,0]=1 21 B11R0.3 CCCCCCCCOCCN Amb7790956 [0,0,0,0,0,0|2,0,0]=2 22 B11R0.3 CCCCCCCCOCCO Amb9787110 [0,0,0,0,0,0|1,0,0]=1 23 B11R0.3 CCCCCCCCSCCN Amb7794933 [0,0,0,0,0,0|2,0,0]=2 24 B11R0.3 CCCCCCCCSCCO Amb33531593 [0,0,0,0,0,0|1,0,0]=1 25 B11R0.3 CCCCCCCCSCCS Amb9787630 [0,0,0,0,0,0|1,1,0]=2 26 B11R0.3 CCCCCCCC\C=C\C=O Amb22045177 [0,0,0,0,0,0|0,0,4]=4 27 B11R0.3 CCCCCCCC\C=C\CO Amb22052644 [0,0,0,0,0,0|0,0,2]=2 28 B11R0.3 CCCCCCCNCCCC Amb4313708 [0,0,0,0,0,0|2,0,0]=2 29 B11R0.3 CCCCCCCNCCCN Amb18794637 [0,0,0,0,0,0|2,0,0]=2 30 B11R0.3 CCCCCCCNCCCO Amb4304117 [0,0,0,0,0,0|1,0,0]=1 31 B11R0.3 CCCCCCNCCCCC Amb6656070 [0,0,0,0,0,0|2,0,0]=2 32 B11R0.3 CCCCCCNCCCOC Amb7760836 [0,0,0,0,0,0|3,0,0]=3 33 B11R0.3 CCCCCSCCOCCN Amb17501985 [0,0,0,0,0,0|3,0,0]=3 34 B11R0.3 CCCCNCCCCCOC Amb33133268 [0,0,0,0,0,0|3,0,0]=3 35 B11R0.3 CCCCNCCNCCCC Amb20214589 [0,0,0,0,0,0|3,0,0]=3 36 B11R0.3 CCCCOCCOCCCC Amb22168138 [0,0,0,0,0,0|3,0,0]=3 37 B11R0.3 CCCCOCCOCCOC Amb24059881 [0,0,0,0,0,0|4,0,0]=4 38 B11R0.3 CCCCSCCSCCCC Amb9787613 [0,0,0,0,0,0|3,0,0]=3 39 B11R0.3 CCCC\C=C\CCCCCC Amb22546624 [0,0,0,0,0,0|1,0,2]=3 40 B11R0.3 CCCNCCCOCCOC Amb6734665 [0,0,0,0,0,0|4,0,0]=4 41 B11R0.3 CCCSCCCCSCCC Amb22366042 [0,0,0,0,0,0|3,0,0]=3 42 B11R0.3 CCNCCCCCCNCC Amb22733571 [0,0,0,0,0,0|3,0,0]=3 43 B11R0.3 CCNCCOCCOCCO Amb30987978 [0,0,0,0,0,0|3,0,0]=3 44 B11R0.3 CCOCCOCCOCCO Amb4016586 [0,0,0,0,0,0|3,0,0]=3 45 B11R0.3 CCOCCOCCSCCO Amb9787503 [0,0,0,0,0,0|3,0,0]=3 46 B11R0.3 CCSCCCCCCSCC Amb9786285 [0,0,0,0,0,0|3,0,0]=3 47 B11R0.3 COCCCCCNCCOC Amb18804450 [0,0,0,0,0,0|4,0,0]=4 48 B11R0.3 COCCOCCOCCCCl Amb32665308 [0,0,0,0,0,0|4,0,0]=4 49 B11R0.3 COCCOCCOCCCN Amb33038271 [0,0,0,0,0,0|4,0,0]=4 50 B11R0.3 COCCOCCOCCCO Amb32718722 [0,0,0,0,0,0|3,0,0]=3 51 B11R0.3 C\C=C\CCCCCCCCO Amb22641580 [0,0,0,0,0,0|0,0,2]=2 52 B11R0.3 ClCCCCCCCCCCCl Amb8514864 [0,0,0,0,0,0|2,0,0]=2 53 B11R0.3 FCCCCCCCCCCF Amb33756851 [0,0,0,0,0,0|2,0,0]=2 54 B11R0.3 ICCCCCCCCCCI Amb10071532 [0,0,0,0,0,0|2,0,0]=2 55 B11R0.3 N#CCCCCCCCCC#N Amb8516779 [0,0,0,0,0,0|2,0,2]=4 56 B11R0.3 NCCCCCCCCCCN Amb33446968 [0,0,0,0,0,0|2,0,0]=2 57 B11R0.3 NCCCCCCCCCCN Amb798005 [0,0,0,0,0,0|2,0,0]=2 58 B11R0.3 NCCCCCCCCCCO Amb17607975 [0,0,0,0,0,0|1,0,0]=1 59 B11R0.3 NCCCNCCNCCCN Amb8393250 [0,0,0,0,0,0|4,0,0]=4 60 B11R0.3 NCCCSCCSCCCN Amb21953301 [0,0,0,0,0,0|4,0,0]=4 61 B11R0.3 NNCCCCCCCCNN Amb33339064 [0,0,0,0,0,0|4,0,0]=4 62 B11R0.3 NNCCCCCCCCNN Amb33465519 [0,0,0,0,0,0|4,0,0]=4 63 B11R0.3 NOCCCCCCCCON Amb33465512 [0,0,0,0,0,0|4,0,0]=4 64 B11R0.3 O=CCCCCCCCCCBr Amb21963218 [0,0,0,0,0,0|1,0,2]=3 65 B11R0.3 OCCCCCCCCCCBr Amb2694963 [0,0,0,0,0,0|1,0,0]=1 66 B11R0.3 OCCCCCCCCCCCl Amb10844747 [0,0,0,0,0,0|1,0,0]=1 67 B11R0.3 OCCCCCCCCCCO Amb2721538 [0,0,0,0,0,0|1,0,0]=1 68 B11R0.3 OCCOCCCCOCCO Amb9787746 [0,0,0,0,0,0|3,0,0]=3 69 B11R0.3 OCCSCCCCSCCO Amb9786146 [0,0,0,0,0,0|3,0,0]=3 70 B11R0.3 [N-]=[N+]=NCCCCCCCCN Amb34913577 [0,0,0,0,0,0|4,0,0]=4 71 B11R0.3 [N-]=[N+]=NCCCCCCCCN Amb34913580 [0,0,0,0,0,0|4,0,0]=4 72 B11R0.3 [N-]=[N+]=NCCCCCCCCO Amb34913576 [0,0,0,0,0,0|3,0,0]=3 73 B10R0.71 BrCCCCCCCCCBr Amb8513101 [1,0,0,0,0,0|2,0,0]=3 74 B10R0.71 BrCCCCOCCCCBr Amb24064682 [1,0,0,0,0,0|3,0,0]=4 75 B10R0.71 C#CCCCCCCCCO Amb16231465 [1,0,0,0,0,0|0,0,2]=3 76 B10R0.71 C=CCCCCCCCCBr Amb9786895 [1,0,0,0,0,0|1,0,2]=4 77 B10R0.71 C=CCCCCCCCCN Amb28652858 [1,0,0,0,0,0|1,0,2]=4 78 B10R0.71 C=CCCCCCCCCN Amb32653011 [1,0,0,0,0,0|1,0,2]=4 79 B10R0.71 C=CCCCCCCCCO Amb6364973 [1,0,0,0,0,0|0,0,2]=3 80 B10R0.71 CCC#CCCCCCCCl Amb22052713 [1,0,0,0,0,0|1,0,2]=4 81 B10R0.71 CCCCCCCC#CCO Amb17774678 [1,0,0,0,0,0|0,0,2]=3 82 B10R0.71 CCCCCCCCCC=O Amb3940437 [1,0,0,0,0,0|0,0,2]=3 83 B10R0.71 CCCCCCCCCCBr Amb2721517 [1,0,0,0,0,0|1,0,0]=2 84 B10R0.71 CCCCCCCCCCCl Amb8513081 [1,0,0,0,0,0|1,0,0]=2 85 B10R0.71 CCCCCCCCCCF Amb2688085 [1,0,0,0,0,0|1,0,0]=2 86 B10R0.71 CCCCCCCCCCI Amb3940280 [1,0,0,0,0,0|1,0,0]=2 87 B10R0.71 CCCCCCCCCCN Amb3940460 [1,0,0,0,0,0|1,0,0]=2 88 B10R0.71 CCCCCCCCCCO Amb3940390 [1,0,0,0,0,0|0,0,0]=1 89 B10R0.71 CCCCCCCCCCS Amb9787174 [1,0,0,0,0,0|0,1,0]=2 90 B10R0.71 CCCCCCCCCNC Amb10609826 [1,0,0,0,0,0|1,0,0]=2 91 B10R0.71 CCCCCCCCCNC Amb7761761 [1,0,0,0,0,0|1,0,0]=2 92 B10R0.71 CCCCCCCCN=C=O Amb3940552 [1,0,0,0,0,0|1,0,2]=4 93 B10R0.71 CCCCCCCCN=C=S Amb6572519 [1,0,0,0,0,0|1,1,1]=4 94 B10R0.71 CCCCCCCCNC=O Amb9787543 [1,0,0,0,0,0|1,0,2]=4 95 B10R0.71 CCCCCCCCOCC Amb9787535 [1,0,0,0,0,0|1,0,0]=2 96 B10R0.71 CCCCCCCCOCCl Amb22230404 [1,0,0,0,0,0|2,0,0]=3 97 B10R0.71 CCCCCCCCSCC Amb17672979 [1,0,0,0,0,0|1,0,0]=2 98 B10R0.71 CCCCCCCNCCC Amb4313521 [1,0,0,0,0,0|1,0,0]=2 99 B10R0.71 CCCCCCCNCCO Amb7809068 [1,0,0,0,0,0|1,0,0]=2 100 B10R0.71 CCCCCCCOCCO Amb8515986 [1,0,0,0,0,0|1,0,0]=2 101 B10R0.71 CCCCCCCSCCN Amb7794934 [1,0,0,0,0,0|2,0,0]=3 102 B10R0.71 CCCCCCCSCCO Amb7968786 [1,0,0,0,0,0|1,0,0]=2 103 B10R0.71 CCCCCCNCCC#N Amb2688717 [1,0,0,0,0,0|2,0,1]=4 104 B10R0.71 CCCCCCNCCCC Amb6730566 [1,0,0,0,0,0|1,0,0]=2 105 B10R0.71 CCCCCCNCCCN Amb17315272 [1,0,0,0,0,0|2,0,0]=3 106 B10R0.71 CCCCCCNCCCO Amb7758124 [1,0,0,0,0,0|1,0,0]=2 107 B10R0.71 CCCCCCNCCOC Amb7760715 [1,0,0,0,0,0|2,0,0]=3 108 B10R0.71 CCCCCCOCCC#N Amb7792025 [1,0,0,0,0,0|2,0,1]=4 109 B10R0.71 CCCCCCOCCCN Amb7764734 [1,0,0,0,0,0|2,0,0]=3 110 B10R0.71 CCCCCC\C=C\CCO Amb22641690 [1,0,0,0,0,0|0,0,2]=3 111 B10R0.71 CCCCCNCCCCC Amb3941371 [1,0,0,0,0,0|1,0,0]=2 112 B10R0.71 CCCCCNCCCOC Amb6730381 [1,0,0,0,0,0|2,0,0]=3 113 B10R0.71 CCCCCSCCCCC Amb4020127 [1,0,0,0,0,0|1,0,0]=2 114 B10R0.71 CCCCCSCCCCN Amb17500943 [1,0,0,0,0,0|2,0,0]=3 115 B10R0.71 CCCCNCCNCCO Amb32454894 [1,0,0,0,0,0|2,0,0]=3 116 B10R0.71 CCCCNCCOCCO Amb6736236 [1,0,0,0,0,0|2,0,0]=3 117 B10R0.71 CCCCOCCOCCCl Amb8828497 [1,0,0,0,0,0|3,0,0]=4 118 B10R0.71 CCCCOCCOCCN Amb7790849 [1,0,0,0,0,0|3,0,0]=4 119 B10R0.71 CCCCOCCOCCO Amb8513428 [1,0,0,0,0,0|2,0,0]=3 120 B10R0.71 CCCCOCCSCCO Amb9787502 [1,0,0,0,0,0|2,0,0]=3 121 B10R0.71 CCCCSCCOCCN Amb17501984 [1,0,0,0,0,0|3,0,0]=4 122 B10R0.71 CCCCSCCOCCO Amb9786123 [1,0,0,0,0,0|2,0,0]=3 123 B10R0.71 CCCNCCCCCOC Amb18797681 [1,0,0,0,0,0|2,0,0]=3 124 B10R0.71 CCNCCCNCCCO Amb20171980 [1,0,0,0,0,0|2,0,0]=3 125 B10R0.71 CCNCCCNCCOC Amb18797912 [1,0,0,0,0,0|3,0,0]=4 126 B10R0.71 CCOCCCNCCCN Amb17315298 [1,0,0,0,0,0|3,0,0]=4 127 B10R0.71 CCOCCNCCOCC Amb9279288 [1,0,0,0,0,0|3,0,0]=4 128 B10R0.71 CCOCCOCCOCC Amb8383649 [1,0,0,0,0,0|3,0,0]=4 129 B10R0.71 CCSCCSCCSCC Amb17939218 [1,0,0,0,0,0|3,0,0]=4 130 B10R0.71 CNCCCNCCCOC Amb20171986 [1,0,0,0,0,0|3,0,0]=4 131 B10R0.71 COCCCNCCCOC Amb17232378 [1,0,0,0,0,0|3,0,0]=4 132 B10R0.71 COCCCOCCCCBr Amb32688353 [1,0,0,0,0,0|3,0,0]=4 133 B10R0.71 COCCCOCCCCCl Amb18184963 [1,0,0,0,0,0|3,0,0]=4 134 B10R0.71 COCCCOCCCOC Amb22348099 [1,0,0,0,0,0|3,0,0]=4 135 B10R0.71 COCCOCCCCCBr Amb32688356 [1,0,0,0,0,0|3,0,0]=4 136 B10R0.71 COCCOCCCCCCl Amb9001656 [1,0,0,0,0,0|3,0,0]=4 137 B10R0.71 COCCOCCNCCO Amb18183507 [1,0,0,0,0,0|3,0,0]=4 138 B10R0.71 COCCOCCOCCO Amb34916685 [1,0,0,0,0,0|3,0,0]=4 139 B10R0.71 COCCOCCOCCO Amb9787436 [1,0,0,0,0,0|3,0,0]=4 140 B10R0.71 COCOCCCCCCCl Amb22641573 [1,0,0,0,0,0|3,0,0]=4 141 B10R0.71 C\C=C\CNCCCCCO Amb32454907 [1,0,0,0,0,0|1,0,2]=4 142 B10R0.71 ClCCCCCCCCCCl Amb8513111 [1,0,0,0,0,0|2,0,0]=3 143 B10R0.71 ClCCCCOCCCCCl Amb2700588 [1,0,0,0,0,0|3,0,0]=4 144 B10R0.71 ICCCCCCCCCI Amb20242392 [1,0,0,0,0,0|2,0,0]=3 145 B10R0.71 N#CCCCCCCCCO Amb22641582 [1,0,0,0,0,0|1,0,1]=3 146 B10R0.71 NCCCCCCCCCN Amb8513818 [1,0,0,0,0,0|2,0,0]=3 147 B10R0.71 NCCCCCCCCCO Amb34183942 [1,0,0,0,0,0|1,0,0]=2 148 B10R0.71 NCCCCNCCCCN Amb31031073 [1,0,0,0,0,0|3,0,0]=4 149 B10R0.71 NCCCOCCOCCO Amb22292476 [1,0,0,0,0,0|3,0,0]=4 150 B10R0.71 OCCCCCCCCCBr Amb2694968 [1,0,0,0,0,0|1,0,0]=2 151 B10R0.71 OCCCCCCCCCI Amb32410519 [1,0,0,0,0,0|1,0,0]=2 152 B10R0.71 OCCCCCCCCCO Amb2721246 [1,0,0,0,0,0|1,0,0]=2 153 B10R0.71 OCCCCNCCCCO Amb21858890 [1,0,0,0,0,0|2,0,0]=3 154 B10R0.71 OCCCCOCCCCCl Amb32663942 [1,0,0,0,0,0|2,0,0]=3 155 B10R0.71 OCCNCCCNCCO Amb21858029 [1,0,0,0,0,0|3,0,0]=4 156 B10R0.71 OCCOCCCCCCCl Amb33719365 [1,0,0,0,0,0|2,0,0]=3 157 B10R0.71 OCCSCCCSCCO Amb9786147 [1,0,0,0,0,0|3,0,0]=4 158 B10R0.71 SCCCCCCCCCS Amb8513270 [1,0,0,0,0,0|1,1,0]=3 159 B10R0.71 [N-]=[N+]=NCCCCCCCO Amb34913457 [1,0,0,0,0,0|3,0,0]=4 160 B12R0.1 CCCCCCCCC(=O)OCC Amb8515442 [0,1,0,0,0,0|2,0,1]=4 161 B12R0.1 CCCCCCCCC(=O)OCCl Amb32414071 [0,1,0,0,0,0|2,0,1]=4 162 B12R0.1 CCCCCCCCC(O)CCC Amb9787107 [0,1,0,0,0,0|1,0,0]=2 163 B12R0.1 CCCCCCCNC(=O)CCCl Amb3365413 [0,1,0,0,0,0|2,0,1]=4 164 B12R0.1 CCOC(=O)CCCCCCCBr Amb10604167 [0,1,0,0,0,0|2,0,1]=4 165 B12R0.1 CCOC(=O)CCCCCCCCl Amb22002672 [0,1,0,0,0,0|2,0,1]=4 166 B12R0.1 CCOC(=O)CCCCCCCI Amb32410617 [0,1,0,0,0,0|2,0,1]=4 167 B12R0.1 CCOC(=O)CCCCCCCN Amb19375589 [0,1,0,0,0,0|2,0,1]=4 168 B12R0.1 CCOC(=O)CCCCCCCN Amb33309141 [0,1,0,0,0,0|2,0,1]=4 169 B12R0.1 CCOC(=O)CCCCCCCO Amb32662870 [0,1,0,0,0,0|1,0,1]=3 170 B12R0.5 BrCCCCCCCCCCCBr Amb8514480 [0,1,0,0,0,0|1,0,0]=2 171 B12R0.5 C#CCCCCCCCCCCO Amb10602413 [0,1,0,0,0,0|0,0,1]=2 172 B12R0.5 C=CCCCCCCCCCCC Amb2721661 [0,1,0,0,0,0|1,0,0]=2 173 B12R0.5 C=CCCCCCCCCCCN Amb24120407 [0,1,0,0,0,0|1,0,1]=3 174 B12R0.5 C=CCNCCCCCCCCC Amb7761762 [0,1,0,0,0,0|1,0,1]=3 175 B12R0.5 CCCCC#CCCCCCCCl Amb16232464 [0,1,0,0,0,0|1,0,1]=3 176 B12R0.5 CCCCCCCCCC#CCO Amb2609119 [0,1,0,0,0,0|0,0,1]=2 177 B12R0.5 CCCCCCCCCCCC#N Amb8384531 [0,1,0,0,0,0|1,0,0]=2 178 B12R0.5 CCCCCCCCCCCC=O Amb3940434 [0,1,0,0,0,0|0,0,1]=2 179 B12R0.5 CCCCCCCCCCCCBr Amb6891945 [0,1,0,0,0,0|1,0,0]=2 180 B12R0.5 CCCCCCCCCCCCC Amb29471649 [0,1,0,0,0,0|1,0,0]=2 181 B12R0.5 CCCCCCCCCCCCC Amb8513362 [0,1,0,0,0,0|1,0,0]=2 182 B12R0.5 CCCCCCCCCCCCCl Amb4008392 [0,1,0,0,0,0|1,0,0]=2 183 B12R0.5 CCCCCCCCCCCCI Amb3940281 [0,1,0,0,0,0|1,0,0]=2 184 B12R0.5 CCCCCCCCCCCCN Amb3940463 [0,1,0,0,0,0|1,0,0]=2 185 B12R0.5 CCCCCCCCCCCCO Amb2721434 [0,1,0,0,0,0|0,0,0]=1 186 B12R0.5 CCCCCCCCCCCC[NH3+] Amb22049481 [0,1,0,0,0,0|1,0,0]=2 187 B12R0.5 CCCCCCCCCCCNC Amb32676722 [0,1,0,0,0,0|1,0,0]=2 188 B12R0.5 CCCCCCCCCCCNC Amb9787074 [0,1,0,0,0,0|1,0,0]=2 189 B12R0.5 CCCCCCCCCCN=C=S Amb2686679 [0,1,0,0,0,0|0,1,1]=3 190 B12R0.5 CCCCCCCCCCN=[N+]=[N-] Amb17939439 [0,1,0,0,0,0|2,0,0]=3 191 B12R0.5 CCCCCCCCCNCCC Amb7794670 [0,1,0,0,0,0|1,0,0]=2 192 B12R0.5 CCCCCCCCCSCCN Amb7794936 [0,1,0,0,0,0|1,0,0]=2 193 B12R0.5 CCCCCCCCCSCCO Amb7968787 [0,1,0,0,0,0|0,0,0]=1 194 B12R0.5 CCCCCCCCNCCC#N Amb2689969 [0,1,0,0,0,0|1,0,1]=3 195 B12R0.5 CCCCCCCCNCCCN Amb19058864 [0,1,0,0,0,0|1,0,0]=2 196 B12R0.5 CCCCCCCCNCCNC Amb2691994 [0,1,0,0,0,0|2,0,0]=3 197 B12R0.5 CCCCCCCCOCCCN Amb13951369 [0,1,0,0,0,0|1,0,0]=2 198 B12R0.5 CCCCCCCCOCCCN Amb7764731 [0,1,0,0,0,0|1,0,0]=2 199 B12R0.5 CCCCCCCNCCCCC Amb7761456 [0,1,0,0,0,0|1,0,0]=2 200 B12R0.5 CCCCCCC\C=C\C=C\CO Amb33986605 [0,1,0,0,0,0|0,0,3]=4 201 B12R0.5 CCCCCCNCCCCCC Amb3938960 [0,1,0,0,0,0|1,0,0]=2 202 B12R0.5 CCCCCCOCCCCCC Amb9787554 [0,1,0,0,0,0|1,0,0]=2 203 B12R0.5 CCCCCCOCCOCCO Amb9787187 [0,1,0,0,0,0|1,0,0]=2 204 B12R0.5 CCCCCCSCCCCCC Amb8513185 [0,1,0,0,0,0|1,0,0]=2 205 B12R0.5 CCCCOCCOCCCCN Amb9208521 [0,1,0,0,0,0|2,0,0]=3 206 B12R0.5 CCCCOCCOCOCCO Amb24080645 [0,1,0,0,0,0|2,0,0]=3 207 B12R0.5 CCCC\C=C\CCCCCCO Amb33513191 [0,1,0,0,0,0|0,0,1]=2 208 B12R0.5 CCNCCOCCOCCOC Amb30987977 [0,1,0,0,0,0|3,0,0]=4 209 B12R0.5 CCOCCCCCCCCCBr Amb33719481 [0,1,0,0,0,0|1,0,0]=2 210 B12R0.5 CCOCCCCCCCCCO Amb22233218 [0,1,0,0,0,0|0,0,0]=1 211 B12R0.5 COCCCCCNCCCOC Amb33133269 [0,1,0,0,0,0|2,0,0]=3 212 B12R0.5 COCCOCCOCCCCN Amb32667451 [0,1,0,0,0,0|3,0,0]=4 213 B12R0.5 NCCCCCCCCCCCN Amb16233911 [0,1,0,0,0,0|1,0,0]=2 214 B12R0.5 NCCCCCCCCCCCO Amb26304136 [0,1,0,0,0,0|0,0,0]=1 215 B12R0.5 NCCCCCCCCCCCO Amb30988059 [0,1,0,0,0,0|0,0,0]=1 216 B12R0.5 NCCCCCCCCCCCS Amb22336989 [0,1,0,0,0,0|0,1,0]=2 217 B12R0.5 NCCCNCCCNCCCN Amb8516503 [0,1,0,0,0,0|3,0,0]=4 218 B12R0.5 NCCCSCCCSCCCN Amb21953257 [0,1,0,0,0,0|3,0,0]=4 219 B12R0.5 NCCCSCCCSCCCN Amb21953298 [0,1,0,0,0,0|3,0,0]=4 220 B12R0.5 NCCOCCOCCOCCO Amb10604926 [0,1,0,0,0,0|3,0,0]=4 221 B12R0.5 NOCCCCCCCCCON Amb33483168 [0,1,0,0,0,0|2,0,0]=3 222 B12R0.5 OCCCCCCCCCCCBr Amb3372065 [0,1,0,0,0,0|0,0,0]=1 223 B12R0.5 OCCCCCCCCCCCO Amb15692712 [0,1,0,0,0,0|0,0,0]=1 224 B12R0.5 OCCCCCCCCCCCS Amb8396653 [0,1,0,0,0,0|0,0,0]=1 225 B12R0.5 OCCOCCOCCOCCBr Amb24057547 [0,1,0,0,0,0|3,0,0]=4 226 B12R0.5 OCCOCCOCCOCCCl Amb9787116 [0,1,0,0,0,0|3,0,0]=4 227 B12R0.5 OCCOCCOCCOCCI Amb34912896 [0,1,0,0,0,0|3,0,0]=4 228 B12R0.5 OCCOCCOCCOCCO Amb6608798 [0,1,0,0,0,0|3,0,0]=4 229 B12R0.5 OCCOCCOCCOCCS Amb24058083 [0,1,0,0,0,0|3,0,0]=4 230 B12R0.5 OCCSCCOCCSCCO Amb26304237 [0,1,0,0,0,0|3,0,0]=4 231 B12R0.5 OCCSCCSCCSCCO Amb28556026 [0,1,0,0,0,0|3,0,0]=4 232 B12R0.5 [N-]=[N+]=NCCCCCCCCCN Amb34913617 [0,1,0,0,0,0|3,0,0]=4 233 B12R0.5 [N-]=[N+]=NCCCCCCCCCN Amb34913619 [0,1,0,0,0,0|3,0,0]=4 234 B12R0.5 [N-]=[N+]=NCCCCCCCCCO Amb34913618 [0,1,0,0,0,0|2,0,0]=3 235 B12R0.47 CCCCCCC(C)NCCCO Amb7761294 [0,1,0,0,0,0|1,0,0]=2 236 B12R0.47 CCCCCCC(O)CCCCC Amb9787109 [0,1,0,0,0,0|1,0,0]=2 237 B12R0.47 CCCCCOC(=O)CCCCC Amb4017930 [0,1,0,0,0,0|2,0,1]=4 238 B12R0.47 CCCCC\C=C(\I)CCCCC Amb22546769 [0,1,0,0,0,0|1,0,2]=4 239 B12R0.206 CCCCC(=O)NCCCCCN Amb18100642 [0,1,0,0,0,0|2,0,1]=4 240 B12R0.206 CCCCCCCC(=O)CCCC Amb6366430 [0,1,0,0,0,0|1,0,1]=3 241 B12R0.206 CCCCCCCC(=O)NCCO Amb9274002 [0,1,0,0,0,0|1,0,1]=3 242 B12R0.206 CCCCCCCC(=O)SCCO Amb34913759 [0,1,0,0,0,0|1,0,1]=3 243 B12R0.206 CCCCCCCC(C)NCCO Amb7809070 [0,1,0,0,0,0|1,0,0]=2 244 B12R0.206 CCCCCCNC(C)CCCO Amb33363358 [0,1,0,0,0,0|1,0,0]=2 245 B12R0.206 CCCCN(C)CCCCCCN Amb5357899 [0,1,0,0,0,0|2,0,0]=3 246 B12R0.234 C#CCCCCCCCCC(=O)O Amb536933 [0,1,0,0,0,0|0,0,3]=4 247 B12R0.234 C=C(Br)CCCCCCCCCC Amb6298937 [0,1,0,0,0,0|1,0,1]=3 248 B12R0.234 C=C(Cl)CCCCCCCCCC Amb6298931 [0,1,0,0,0,0|1,0,1]=3 249 B12R0.234 C=CCCCCCCCCC(=O)O Amb533736 [0,1,0,0,0,0|0,0,3]=4 250 B12R0.234 CC#CCCCCCCCC(=O)O Amb6565389 [0,1,0,0,0,0|0,0,3]=4 251 B12R0.234 CC(=O)OCCCCCCCCBr Amb24063233 [0,1,0,0,0,0|2,0,1]=4 252 B12R0.234 CCCCCCCCCCB(O)O Amb19958787 [0,1,0,0,0,0|1,0,0]=2 253 B12R0.234 CCCCCCCCCCC(=O)Cl Amb9787304 [0,1,0,0,0,0|0,0,2]=3 254 B12R0.234 CCCCCCCCCCC(=O)O Amb3941499 [0,1,0,0,0,0|0,0,1]=2 255 B12R0.234 CCCCCCCCCCC(C)=O Amb6366439 [0,1,0,0,0,0|0,0,2]=3 256 B12R0.234 CCCCCCCCCCC(C)N Amb8869702 [0,1,0,0,0,0|1,0,0]=2 257 B12R0.234 CCCCCCCCCCN(C)C Amb9787202 [0,1,0,0,0,0|2,0,0]=3 258 B12R0.234 CCCCCCCCCOC(=S)[S-] Amb534232 [0,1,0,0,0,0|1,1,1]=4 259 B12R0.234 CCCCCCCCCOC(C)=O Amb6366259 [0,1,0,0,0,0|1,0,2]=4 260 B12R0.234 CCCCCCCCOCC(=O)O Amb7790043 [0,1,0,0,0,0|1,0,1]=3 261 B12R0.234 CCCCCCCC\C=C\C(=O)O Amb33987634 [0,1,0,0,0,0|0,0,3]=4 262 B12R0.234 CCOCCOCCCCC(=O)O Amb9207787 [0,1,0,0,0,0|2,0,1]=4 263 B12R0.234 N#CCCCCCCCCC(=O)O Amb4008315 [0,1,0,0,0,0|1,0,2]=4 264 B12R0.234 NCCCCCCCCCC(=O)O Amb2229638 [0,1,0,0,0,0|1,0,1]=3 265 B12R0.234 NCCCCCCCCCC(=O)O Amb31030991 [0,1,0,0,0,0|1,0,1]=3 266 B12R0.234 O=C(O)CCCCCCCCCBr Amb4014619 [0,1,0,0,0,0|1,0,1]=3 267 B12R0.234 O=C(O)CCCCCCCCCO Amb3940517 [0,1,0,0,0,0|1,0,1]=3 268 B12R0.248 CCCCCCCCCC(=O)NN Amb6530432 [0,1,0,0,0,0|2,0,1]=4 269 B12R0.248 CCCCCCCCCC(=O)NO Amb33548521 [0,1,0,0,0,0|1,0,1]=3 270 B12R0.248 CCCCCCCCCC(=O)OC Amb4378003 [0,1,0,0,0,0|2,0,1]=4 271 B12R0.248 CCCCCCCCCC(C)C=O Amb3940427 [0,1,0,0,0,0|0,0,2]=3 272 B12R0.248 CCCCCCCCNC(=O)CBr Amb17329848 [0,1,0,0,0,0|2,0,1]=4 273 B12R0.248 CCCCCCCCNC(=O)CCl Amb9786173 [0,1,0,0,0,0|2,0,1]=4 274 B12R0.248 CCCCCCCCNC(=O)CN Amb24115163 [0,1,0,0,0,0|2,0,1]=4 275 B12R0.248 CCCCCCCCOC(=O)CN Amb2688623 [0,1,0,0,0,0|2,0,1]=4 276 B12R0.248 CCCCCCCCOC(=O)C[NH3+] Amb22049491 [0,1,0,0,0,0|2,0,1]=4 277 B12R0.248 CCCCCNCCNC(C)CC Amb2692009 [0,1,0,0,0,0|3,0,0]=4 278 B12R0.248 COC(=O)CCCCCCCCBr Amb34913614 [0,1,0,0,0,0|2,0,1]=4 279 B12R0.248 COC(=O)CCCCCCCCO Amb17616943 [0,1,0,0,0,0|1,0,1]=3 280 B12R1.8 BrCCCCCN1CCCCC1 Amb33624633 [0,0,0,1,0,0|2,0,0]=3 281 B12R1.8 BrCCCCCN1CCOCC1 Amb33009427 [0,0,0,1,0,0|3,0,0]=4 282 B12R1.8 BrCCCCCN1CCOCC1 Amb33623975 [0,0,0,1,0,0|3,0,0]=4 283 B12R1.8 BrCCCCOC1CCCCC1 Amb8855440 [0,0,0,1,0,0|2,0,0]=3 284 B12R1.8 BrCCCCOC1CCCCO1 Amb10605338 [0,0,0,1,0,0|2,0,0]=3 285 B12R1.8 BrCCCCOC1CCOCC1 Amb32689604 [0,0,0,1,0,0|3,0,0]=4 286 B12R1.8 BrCCCOCC1CCCCO1 Amb9209734 [0,0,0,1,0,0|2,0,0]=3 287 B12R1.8 C#CCCCNC1CCCCC1 Amb33033438 [0,0,0,1,0,0|2,0,1]=4 288 B12R1.8 C#CCCCOC1CCCCO1 Amb9134790 [0,0,0,1,0,0|1,0,2]=4 289 B12R1.8 CCCCCCC1CCCCC1 Amb22230753 [0,0,0,1,0,0|1,0,0]=2 290 B12R1.8 CCCCCCC1CCCCN1 Amb2235857 [0,0,0,1,0,0|1,0,0]=2 291 B12R1.8 CCCCCCC1CCCCN1 Amb3788214 [0,0,0,1,0,0|1,0,0]=2 292 B12R1.8 CCCCCCC1CCCNC1 Amb22642853 [0,0,0,1,0,0|2,0,0]=3 293 B12R1.8 CCCCCCC1CCNCC1 Amb35745608 [0,0,0,1,0,0|2,0,0]=3 294 B12R1.8 CCCCCCC1CCNCC1 Amb3933576 [0,0,0,1,0,0|2,0,0]=3 295 B12R1.8 CCCCCCN1CCNCC1 Amb2688721 [0,0,0,1,0,0|3,0,0]=4 296 B12R1.8 CCCCCNC1CCCSC1 Amb19059613 [0,0,0,1,0,0|3,0,0]=4 297 B12R1.8 CCCCCNC1CCOCC1 Amb9472320 [0,0,0,1,0,0|3,0,0]=4 298 B12R1.8 CCCCCNC1CCSCC1 Amb9248909 [0,0,0,1,0,0|3,0,0]=4 299 B12R1.8 CCCCCOC1CCNCC1 Amb19149283 [0,0,0,1,0,0|3,0,0]=4 300 B12R1.8 CCCCCOC1CCNCC1 Amb8858933 [0,0,0,1,0,0|3,0,0]=4 301 B12R1.8 CCCCOCC1CCCCN1 Amb18802453 [0,0,0,1,0,0|2,0,0]=3 302 B12R1.8 CCCCOCC1CCCNC1 Amb18802451 [0,0,0,1,0,0|3,0,0]=4 303 B12R1.8 CCCCOCC1CCNCC1 Amb17083673 [0,0,0,1,0,0|3,0,0]=4 304 B12R1.8 CCCNCCC1=CCCCC1 Amb1834835 [0,0,0,1,0,0|2,0,1]=4 305 B12R1.8 CCCNCCC1=CCCCC1 Amb6335363 [0,0,0,1,0,0|2,0,1]=4 306 B12R1.8 CCCNCCN1CCCCC1 Amb17232778 [0,0,0,1,0,0|3,0,0]=4 307 B12R1.8 CCCSCCC1CCCCN1 Amb17503510 [0,0,0,1,0,0|2,0,0]=3 308 B12R1.8 CCNCCCC1CCNCC1 Amb18806804 [0,0,0,1,0,0|3,0,0]=4 309 B12R1.8 CCNCCNC1CCCCC1 Amb2692003 [0,0,0,1,0,0|3,0,0]=4 310 B12R1.8 CCSCCNC1CCCCC1 Amb22588085 [0,0,0,1,0,0|3,0,0]=4 311 B12R1.8 CNCCCCN1CCCCC1 Amb18793821 [0,0,0,1,0,0|3,0,0]=4 312 B12R1.8 CNCCCNC1CCCCC1 Amb18802059 [0,0,0,1,0,0|3,0,0]=4 313 B12R1.8 COCCCNC1CCCCC1 Amb35750760 [0,0,0,1,0,0|3,0,0]=4 314 B12R1.8 COCCCNC1CCCCC1 Amb6730320 [0,0,0,1,0,0|3,0,0]=4 315 B12R1.8 COCCNCC1CCCCC1 Amb6685600 [0,0,0,1,0,0|3,0,0]=4 316 B12R1.8 COCCOCC1CNCCO1 Amb33299436 [0,0,0,1,0,0|3,0,0]=4 317 B12R1.8 CSCCCNC1CCCCC1 Amb6719476 [0,0,0,1,0,0|3,0,0]=4 318 B12R1.8 ClCCCCCN1CCCCC1 Amb19515039 [0,0,0,1,0,0|2,0,0]=3 319 B12R1.8 ClCCCCOC1CCCCC1 Amb19073215 [0,0,0,1,0,0|2,0,0]=3 320 B12R1.8 ClCCCCOC1CCCCO1 Amb3940864 [0,0,0,1,0,0|2,0,0]=3 321 B12R1.8 ClCCCCOC1CCOCC1 Amb19061635 [0,0,0,1,0,0|3,0,0]=4 322 B12R1.8 ClCCNCCN1CCCCC1 Amb20573237 [0,0,0,1,0,0|3,0,0]=4 323 B12R1.8 FCCOCCC1CCCNC1 Amb21956696 [0,0,0,1,0,0|3,0,0]=4 324 B12R1.8 ICCCCOC1CCCCO1 Amb22055542 [0,0,0,1,0,0|2,0,0]=3 325 B12R1.8 N#CCCCCN1CCCCC1 Amb4011659 [0,0,0,1,0,0|2,0,1]=4 326 B12R1.8 N#CCCCNC1CCCCC1 Amb6706957 [0,0,0,1,0,0|2,0,1]=4 327 B12R1.8 NCCCCCC1CCCCC1 Amb18825833 [0,0,0,1,0,0|1,0,0]=2 328 B12R1.8 NCCCCCN1CCCCC1 Amb34914067 [0,0,0,1,0,0|2,0,0]=3 329 B12R1.8 NCCCCCN1CCCCC1 Amb5357882 [0,0,0,1,0,0|2,0,0]=3 330 B12R1.8 NCCCCCN1CCNCC1 Amb2696770 [0,0,0,1,0,0|3,0,0]=4 331 B12R1.8 NCCCCCN1CCOCC1 Amb13949080 [0,0,0,1,0,0|3,0,0]=4 332 B12R1.8 NCCCCCN1CCOCC1 Amb5357889 [0,0,0,1,0,0|3,0,0]=4 333 B12R1.8 NCCCOCC1CCCCC1 Amb18802489 [0,0,0,1,0,0|2,0,0]=3 334 B12R1.8 NCCCOCC1CCOCC1 Amb18803463 [0,0,0,1,0,0|3,0,0]=4 335 B12R1.8 NCCNCCN1CCCCC1 Amb20573497 [0,0,0,1,0,0|3,0,0]=4 336 B12R1.8 O=C=NCCCC1CCCCC1 Amb33449653 [0,0,0,1,0,0|1,0,2]=4 337 B12R1.8 O=CCCCCC1CCCCC1 Amb33359606 [0,0,0,1,0,0|0,0,2]=3 338 B12R1.8 OCCC#CCN1CCCCC1 Amb1094127 [0,0,0,1,0,0|1,0,2]=4 339 B12R1.8 OCCC#CCN1CCCCC1 Amb22283991 [0,0,0,1,0,0|1,0,2]=4 340 B12R1.8 OCCCCCN1CCCCC1 Amb13883419 [0,0,0,1,0,0|1,0,0]=2 341 B12R1.8 OCCCCCN1CCNCC1 Amb18807595 [0,0,0,1,0,0|2,0,0]=3 342 B12R1.8 OCCCCCN1CCNCC1 Amb30584863 [0,0,0,1,0,0|2,0,0]=3 343 B12R1.8 OCCCCCN1CCOCC1 Amb17334939 [0,0,0,1,0,0|2,0,0]=3 344 B12R1.8 OCCCCNC1CCCCC1 Amb6334829 [0,0,0,1,0,0|1,0,0]=2 345 B12R1.8 OCCCCNC1CCOCC1 Amb18803399 [0,0,0,1,0,0|2,0,0]=3 346 B12R1.8 OCCCNCC1CC=CCC1 Amb6733765 [0,0,0,1,0,0|1,0,2]=4 347 B12R1.8 OCCCNCC1CCCCC1 Amb6733597 [0,0,0,1,0,0|1,0,0]=2 348 B12R1.8 OCCCNCC1CCOCC1 Amb18803464 [0,0,0,1,0,0|2,0,0]=3 349 B12R1.8 OCCNCCC1=CCCCC1 Amb17309067 [0,0,0,1,0,0|1,0,2]=4 350 B12R1.8 OCCNCCN1CCCCC1 Amb18807488 [0,0,0,1,0,0|2,0,0]=3 351 B12R1.8 OCCNCCN1CCOCC1 Amb30588705 [0,0,0,1,0,0|3,0,0]=4 352 B12R1.8 OCCNCCN1CCOCC1 Amb6713095 [0,0,0,1,0,0|3,0,0]=4 353 B12R1.8 OCCOCCN1CCNCC1 Amb3938981 [0,0,0,1,0,0|3,0,0]=4 354 B12R1.8 OCCOCCN1CCNCC1 Amb8390528 [0,0,0,1,0,0|3,0,0]=4 355 B12R1.8 OCCOCCN1CCOCC1 Amb9786067 [0,0,0,1,0,0|3,0,0]=4 356 B12R1.8 OCCOCC[NH+]1CC[NH2+]CC1 Amb33513115 [0,0,0,1,0,0|3,0,0]=4 357 B12R1.8 SCCCCCN1CCOCC1 Amb33172672 [0,0,0,1,0,0|2,1,0]=4 358 B12R1.8 [N-]=[N+]=NCCCC1CCCCC1 Amb33429707 [0,0,0,1,0,0|3,0,0]=4 359 B12R1.18 C#CCCC1CCCCCC1Br Amb27637578 [0,0,0,1,0,0|1,0,2]=4 360 B12R1.18 C#CCCC1CCCCCC1N Amb27955048 [0,0,0,1,0,0|1,0,2]=4 361 B12R1.18 C#CCCC1CCCCCC1O Amb25764667 [0,0,0,1,0,0|0,0,2]=3 362 B12R1.18 C#CCCN1CCCCCC1C Amb28200151 [0,0,0,1,0,0|2,0,1]=4 363 B12R1.18 C#CCC[C@@H]1CCCCC[C@H]1O Amb32945566 [0,0,0,1,0,0|0,0,2]=3 364 B12R1.18 C=C1CCCCCC1CCCO Amb27457881 [0,0,0,1,0,0|0,0,2]=3 365 B12R1.18 C=CCCC1CCCCCC1O Amb27480225 [0,0,0,1,0,0|0,0,2]=3 366 B12R1.18 C=CCCN1CCCCCC1C Amb27756864 [0,0,0,1,0,0|2,0,1]=4 367 B12R1.18 C=CCC[C@@H]1CCCCC[C@H]1O Amb33213933 [0,0,0,1,0,0|0,0,2]=3 368 B12R1.18 C=CCOC1CCCCCC1O Amb27206059 [0,0,0,1,0,0|1,0,2]=4 369 B12R1.18 C=CCO[C@@H]1CCCCC[C@@H]1O Amb27653264 [0,0,0,1,0,0|1,0,2]=4 370 B12R1.18 CC#CCC1CCCCCC1Cl Amb18326625 [0,0,0,1,0,0|1,0,2]=4 371 B12R1.18 CC#CCC1CCCCCC1O Amb18798689 [0,0,0,1,0,0|0,0,2]=3 372 B12R1.18 CC#CC[C@@H]1CCCCC[C@H]1O Amb32944847 [0,0,0,1,0,0|0,0,2]=3 373 B12R1.18 CC1CCCCCC1NCCF Amb28286000 [0,0,0,1,0,0|2,0,0]=3 374 B12R1.18 CC1CCCCCN1CCC#N Amb27195624 [0,0,0,1,0,0|2,0,1]=4 375 B12R1.18 CC1CCCCCN1CCC=O Amb27779071 [0,0,0,1,0,0|1,0,2]=4 376 B12R1.18 CC1CCCCCN1CCCCl Amb27212852 [0,0,0,1,0,0|2,0,0]=3 377 B12R1.18 CC1CCCCCN1CCCO Amb27254073 [0,0,0,1,0,0|1,0,0]=2 378 B12R1.18 CC1CCCCC\C1=C/CCN Amb35734032 [0,0,0,1,0,0|1,0,2]=4 379 B12R1.18 CC1CCNCCN1CCCF Amb27770623 [0,0,0,1,0,0|3,0,0]=4 380 B12R1.18 CC1CCOCCN1CCCF Amb28063581 [0,0,0,1,0,0|3,0,0]=4 381 B12R1.18 CC1CCOCCN1CCCI Amb28063582 [0,0,0,1,0,0|3,0,0]=4 382 B12R1.18 CC1CCSCCN1CCCF Amb27207537 [0,0,0,1,0,0|3,0,0]=4 383 B12R1.18 CC1CCSCCN1CCCI Amb27487239 [0,0,0,1,0,0|3,0,0]=4 384 B12R1.18 CC1CCSCCN1CCCS Amb27245171 [0,0,0,1,0,0|2,1,0]=4 385 B12R1.18 CC1CNCCCN1CCCF Amb28193841 [0,0,0,1,0,0|3,0,0]=4 386 B12R1.18 CC1CNCCCN1CCCO Amb27964656 [0,0,0,1,0,0|2,0,0]=3 387 B12R1.18 CC1COCCCN1CCCN Amb27620625 [0,0,0,1,0,0|3,0,0]=4 388 B12R1.18 CC1COCCCN1CCCS Amb27435789 [0,0,0,1,0,0|2,1,0]=4 389 B12R1.18 CCCCC1CCCCCC1=O Amb18799266 [0,0,0,1,0,0|0,0,2]=3 390 B12R1.18 CCCCC1CCCCCC1Br Amb28365719 [0,0,0,1,0,0|1,0,0]=2 391 B12R1.18 CCCCC1CCCCCC1Cl Amb28187102 [0,0,0,1,0,0|1,0,0]=2 392 B12R1.18 CCCCC1CCCCCC1O Amb18806714 [0,0,0,1,0,0|0,0,0]=1 393 B12R1.18 CCCCC1CCCCNC1=O Amb27770065 [0,0,0,1,0,0|1,0,2]=4 394 B12R1.18 CCCCC1NCCCCC1C Amb27986201 [0,0,0,1,0,0|2,0,0]=3 395 B12R1.18 CCCCN1CCCNCC1C Amb17578228 [0,0,0,1,0,0|3,0,0]=4 396 B12R1.18 CCCCN1CCOCCC1C Amb28126482 [0,0,0,1,0,0|3,0,0]=4 397 B12R1.18 CCCC[C@@H]1C=CCCC[C@H]1O Amb27443011 [0,0,0,1,0,0|0,0,2]=3 398 B12R1.18 CCCC[C@@H]1CCCCC[C@H]1O Amb26435137 [0,0,0,1,0,0|0,0,0]=1 399 B12R1.18 CCCOC1CCCCCC1Br Amb26431584 [0,0,0,1,0,0|2,0,0]=3 400 B12R1.18 CCCOC1CCCCCC1I Amb25188247 [0,0,0,1,0,0|2,0,0]=3 401 B12R1.18 CCCSC1CCCCCC1O Amb27444903 [0,0,0,1,0,0|1,0,0]=2 402 B12R1.18 CCOCC1CCCCCC1=O Amb27465325 [0,0,0,1,0,0|1,0,2]=4 403 B12R1.18 CCOCC1CCCCCC1O Amb27628602 [0,0,0,1,0,0|1,0,0]=2 404 B12R1.18 CCOC[C@@H]1CCCCC[C@H]1O Amb33212821 [0,0,0,1,0,0|1,0,0]=2 405 B12R1.18 CCONC1CCCCCC1C Amb35726895 [0,0,0,1,0,0|3,0,0]=4 406 B12R1.18 CN1CCCCCC1CCCN Amb18198764 [0,0,0,1,0,0|2,0,0]=3 407 B12R1.18 COCCC1CCCCCC1Br Amb27397473 [0,0,0,1,0,0|2,0,0]=3 408 B12R1.18 COCCC1CCCCCC1O Amb18807461 [0,0,0,1,0,0|1,0,0]=2 409 B12R1.18 CSCCC1CCCCCC1Br Amb27770850 [0,0,0,1,0,0|2,0,0]=3 410 B12R1.18 FCCNC1CCCCCC1Cl Amb27219894 [0,0,0,1,0,0|3,0,0]=4 411 B12R1.18 N#CCCC1CCCCCC1O Amb27587561 [0,0,0,1,0,0|1,0,1]=3 412 B12R1.18 NC1CCCCCC1OCCF Amb28061729 [0,0,0,1,0,0|3,0,0]=4 413 B12R1.18 NCCNC1CCCCCC1O Amb18986525 [0,0,0,1,0,0|2,0,0]=3 414 B12R1.18 NCCSC1CCCCCC1O Amb27482262 [0,0,0,1,0,0|2,0,0]=3 415 B12R1.18 O=C1CCCCCC1CCCO Amb27614789 [0,0,0,1,0,0|1,0,1]=3 416 B12R1.18 O=C1NCCCCC1CCCO Amb27157529 [0,0,0,1,0,0|2,0,1]=4 417 B12R1.18 OC1CCCCCC1NCCF Amb27416509 [0,0,0,1,0,0|2,0,0]=3 418 B12R1.18 OCCCN1CCCCCC1=S Amb27853954 [0,0,0,1,0,0|2,0,1]=4 419 B12R1.18 OCCSC1CCCCCC1O Amb27411662 [0,0,0,1,0,0|2,0,0]=3 420 B12R1.37 BrCCCCCCN1CCCC1 Amb33624789 [0,0,0,1,0,0|2,0,0]=3 421 B12R1.37 BrCCCCCOC1CCCC1 Amb32689538 [0,0,0,1,0,0|2,0,0]=3 422 B12R1.37 BrCCCCCOC1CCOC1 Amb32689540 [0,0,0,1,0,0|3,0,0]=4 423 B12R1.37 BrCCCCOCC1CCCC1 Amb32690549 [0,0,0,1,0,0|2,0,0]=3 424 B12R1.37 BrCCCCOCC1CCCO1 Amb8855456 [0,0,0,1,0,0|2,0,0]=3 425 B12R1.37 CCCCCC#CC1OCCO1 Amb27395446 [0,0,0,1,0,0|1,0,2]=4 426 B12R1.37 CCCCCCCC1CCCN1 Amb3788212 [0,0,0,1,0,0|1,0,0]=2 427 B12R1.37 CCCCCCCC1OCCO1 Amb25368281 [0,0,0,1,0,0|1,0,0]=2 428 B12R1.37 CCCCCCNC1CCCC1 Amb6730518 [0,0,0,1,0,0|2,0,0]=3 429 B12R1.37 CCCCCCNC1CCSC1 Amb6730523 [0,0,0,1,0,0|3,0,0]=4 430 B12R1.37 CCCCCNCC1CCCO1 Amb6708057 [0,0,0,1,0,0|1,0,0]=2 431 B12R1.37 CCCCC\C=C\C1OCCO1 Amb25375130 [0,0,0,1,0,0|1,0,2]=4 432 B12R1.37 CCCCNCCN1CCCC1 Amb6726097 [0,0,0,1,0,0|3,0,0]=4 433 B12R1.37 CCNCCNCC1CCCO1 Amb18807526 [0,0,0,1,0,0|2,0,0]=3 434 B12R1.37 CNCCCNCC1CCCO1 Amb18803062 [0,0,0,1,0,0|2,0,0]=3 435 B12R1.37 COCCCCNC1CCCC1 Amb18807086 [0,0,0,1,0,0|3,0,0]=4 436 B12R1.37 COCCSCCC1OCCO1 Amb27650053 [0,0,0,1,0,0|3,0,0]=4 437 B12R1.37 ClCCCCCOC1CCCC1 Amb9001646 [0,0,0,1,0,0|2,0,0]=3 438 B12R1.37 ClCCCCCOC1CCOC1 Amb32689539 [0,0,0,1,0,0|3,0,0]=4 439 B12R1.37 ClCCCCOCC1CCCC1 Amb32690548 [0,0,0,1,0,0|2,0,0]=3 440 B12R1.37 ClCCCCOCC1CCCO1 Amb19061634 [0,0,0,1,0,0|2,0,0]=3 441 B12R1.37 ClCCCNCCN1CCCC1 Amb20573481 [0,0,0,1,0,0|3,0,0]=4 442 B12R1.37 ClCCNCCCN1CCCC1 Amb20573416 [0,0,0,1,0,0|3,0,0]=4 443 B12R1.37 NCCCCCCC1CCCC1 Amb33380241 [0,0,0,1,0,0|1,0,0]=2 444 B12R1.37 NCCCCCCN1CCCC1 Amb2613450 [0,0,0,1,0,0|2,0,0]=3 445 B12R1.37 NCCCOCCC1CCCC1 Amb33449988 [0,0,0,1,0,0|2,0,0]=3 446 B12R1.37 NCCCOCCN1CCCC1 Amb18803030 [0,0,0,1,0,0|3,0,0]=4 447 B12R1.37 NCCCSCCN1CCCC1 Amb17500710 [0,0,0,1,0,0|3,0,0]=4 448 B12R1.37 NCCNCCCN1CCCC1 Amb18794236 [0,0,0,1,0,0|3,0,0]=4 449 B12R1.37 O=C=NCCCCC1CCCC1 Amb33374588 [0,0,0,1,0,0|1,0,2]=4 450 B12R1.37 O=CCCCCCC1CCCC1 Amb33380237 [0,0,0,1,0,0|0,0,2]=3 451 B12R1.37 O=CCCCCCN1CCCC1 Amb33274869 [0,0,0,1,0,0|1,0,2]=4 452 B12R1.37 OCCCNCCN1CCCC1 Amb17318027 [0,0,0,1,0,0|2,0,0]=3 453 B12R1.37 OCCNCCCN1CCCC1 Amb18794541 [0,0,0,1,0,0|2,0,0]=3 454 B12R1.37 OCCOCCNC1CCCC1 Amb6736091 [0,0,0,1,0,0|2,0,0]=3 455 B12R1.37 OCCOCCNC1CCSC1 Amb6736098 [0,0,0,1,0,0|3,0,0]=4 456 B12R1.37 [N-]=[N+]=NCCCCC1CCCC1 Amb33379886 [0,0,0,1,0,0|3,0,0]=4 457 B12R1.45 CC#CCCN1CCCC1CO Amb28456896 [0,0,0,1,0,0|1,0,2]=4 458 B12R1.45 CC#CCCN1CCC[C@@H]1CO Amb28045364 [0,0,0,1,0,0|1,0,2]=4 459 B12R1.45 CC#CCNC1CCCC1CO Amb27984500 [0,0,0,1,0,0|1,0,2]=4 460 B12R1.45 NCCCCN1CCCC1CO Amb18789797 [0,0,0,1,0,0|2,0,0]=3 461 B12R1.52 C=CCC1CCCCCCC1O Amb27604455 [0,0,0,1,0,0|0,0,2]=3 462 B12R1.52 C=CC[C@@H]1CCCCCC[C@H]1O Amb27457903 [0,0,0,1,0,0|0,0,2]=3 463 B12R1.52 CCNC1CCC=CCCC1O Amb25158778 [0,0,0,1,0,0|1,0,2]=4 464 B12R1.52 CCOC1CCCCCCC1Br Amb26615083 [0,0,0,1,0,0|2,0,0]=3 465 B12R1.52 CCOC1CCCCCCC1I Amb25130056 [0,0,0,1,0,0|2,0,0]=3 466 B12R1.52 CCOC1CCCCCCC1O Amb18807444 [0,0,0,1,0,0|1,0,0]=2 467 B12R1.52 CCSC1CCCCCCC1N Amb28288745 [0,0,0,1,0,0|2,0,0]=3 468 B12R1.52 N#CCC1CCCCCCC1O Amb27451097 [0,0,0,1,0,0|1,0,1]=3 469 B12R1.52 OC1CCCCCCC1\C=C\Cl Amb28320770 [0,0,0,1,0,0|1,0,2]=4 470 B12R1.52 [N-]=[N+]=NC1CCCCCCC1O Amb28240383 [0,0,0,1,0,0|3,0,0]=4 471 B12R1.73 CN1CCCCCCCC1C#N Amb27966230 [0,0,0,1,0,0|2,0,1]=4 472 B12R1.73 CN1CCCCCCCC1CN Amb27636671 [0,0,0,1,0,0|2,0,0]=3 473 B12R1.73 CN1CCCCCCCC1CO Amb28368837 [0,0,0,1,0,0|1,0,0]=2 474 B12R1.121 C#CCCC1CCCCC1CN Amb27391001 [0,0,0,1,0,0|1,0,2]=4 475 B12R1.121 C#CCCN1CCCCC1CO Amb18798881 [0,0,0,1,0,0|1,0,2]=4 476 B12R1.121 CC#CCN1CCCCC1CO Amb18798889 [0,0,0,1,0,0|1,0,2]=4 477 B12R1.121 CCC1CCCCC1NCCO Amb19018948 [0,0,0,1,0,0|1,0,0]=2 478 B12R1.121 CCC1CCCCC1OCCO Amb18807445 [0,0,0,1,0,0|1,0,0]=2 479 B12R1.121 CCC1CCCCC1\C=C\CO Amb27960104 [0,0,0,1,0,0|0,0,2]=3 480 B12R1.121 CCC1CCCCN1CCC#N Amb8872864 [0,0,0,1,0,0|2,0,1]=4 481 B12R1.121 CCC1CCCCN1CCCCl Amb17336179 [0,0,0,1,0,0|2,0,0]=3 482 B12R1.121 CCC1CCCCN1CCCN Amb9703676 [0,0,0,1,0,0|2,0,0]=3 483 B12R1.121 CCC1CCCCN1CCCO Amb9246593 [0,0,0,1,0,0|1,0,0]=2 484 B12R1.121 CCC1CCCCN1CCNC Amb8894089 [0,0,0,1,0,0|3,0,0]=4 485 B12R1.121 CCCCC1NCCCC1CN Amb33500847 [0,0,0,1,0,0|2,0,0]=3 486 B12R1.121 CCCCN1CCCCC1CN Amb9731141 [0,0,0,1,0,0|2,0,0]=3 487 B12R1.121 CCCCN1CCCC[C@@H]1CN Amb33218413 [0,0,0,1,0,0|2,0,0]=3 488 B12R1.121 CCCCN1CCCC[C@H]1CN Amb33218400 [0,0,0,1,0,0|2,0,0]=3 489 B12R1.121 CCCCN1CCOC[C@H]1CN Amb33218362 [0,0,0,1,0,0|3,0,0]=4 490 B12R1.121 C\C=C\CN1CCCC[C@@H]1CO Amb28184931 [0,0,0,1,0,0|1,0,2]=4 491 B12R1.121 N#CCN[C@@H]1CCCC[C@H]1CO Amb27420739 [0,0,0,1,0,0|2,0,1]=4 492 B12R1.121 N#CCN[C@H]1CCCC[C@@H]1CO Amb27794466 [0,0,0,1,0,0|2,0,1]=4 493 B12R1.121 NCC1CCCCN1CCCO Amb18807518 [0,0,0,1,0,0|2,0,0]=3 494 B12R1.121 NCC1CCCCN1CCCO Amb32662735 [0,0,0,1,0,0|2,0,0]=3 495 B12R1.121 NCCCN1CCCCC1CO Amb4304383 [0,0,0,1,0,0|2,0,0]=3 496 B12R1.121 [C-]#[N+]CCC1CCCCC1CF Amb27791332 [0,0,0,1,0,0|2,0,1]=4 497 B12R1.150 C=C1CCCCCCCCC1O Amb27432139 [0,0,0,1,0,0|0,0,2]=3 498 B12R1.150 C[C@@H]1CCCCCCCNC1=O Amb28047251 [0,0,0,1,0,0|1,0,2]=4 499 B12R1.150 C[C@H]1CCCCCCCNC1=O Amb28059295 [0,0,0,1,0,0|1,0,2]=4 500 B12R1.150 Cl[C@@H]1CCCCCCCC[C@H]1Cl Amb28130442 [0,0,0,1,0,0|2,0,0]=3 501 B12R1.150 NC1CCCCCCCCC1O Amb25152507 [0,0,0,1,0,0|1,0,0]=2 502 B12R1.150 O=C1CCCCCCCCC1Br Amb28244232 [0,0,0,1,0,0|1,0,2]=4 503 B12R1.150 O=C1CCCCCCCCC1Cl Amb27233508 [0,0,0,1,0,0|1,0,2]=4 504 B12R1.150 O=C1CCCCCCCCC1F Amb27828822 [0,0,0,1,0,0|1,0,2]=4 505 B12R1.150 O=C1CCCCCCCCC1O Amb4017052 [0,0,0,1,0,0|1,0,1]=3 506 B12R1.150 OC1CCCC=CCCCC1O Amb27978028 [0,0,0,1,0,0|1,0,2]=4 507 B12R1.150 OC1CCCCCCCCC1Cl Amb27828119 [0,0,0,1,0,0|1,0,0]=2 508 B12R1.150 OC1CCCCCCCCC1O Amb17594327 [0,0,0,1,0,0|1,0,0]=2 509 B12R1.150 O[C@@H]1CCCCCCCC[C@H]1Cl Amb28132360 [0,0,0,1,0,0|1,0,0]=2 510 B12R1.150 O[C@@H]1CCCCCCCC[C@H]1O Amb28290410 [0,0,0,1,0,0|1,0,0]=2 511 B12R1.150 O[C@H]1CCC=CCCCC[C@@H]1O Amb27978307 [0,0,0,1,0,0|1,0,2]=4 512 B12R1.169 C#CCC1CCCCC1CNC Amb27808915 [0,0,0,1,0,0|2,0,1]=4 513 B12R1.169 C#CCC1CCCCC1NCC Amb18798499 [0,0,0,1,0,0|2,0,1]=4 514 B12R1.169 CCCC1CCCCN1CC#N Amb27976634 [0,0,0,1,0,0|2,0,1]=4 515 B12R1.169 CCCC1OCCOC1CCBr Amb24064679 [0,0,0,1,0,0|3,0,0]=4 516 B12R1.169 CCNC1CCCCC1OCC Amb17606037 [0,0,0,1,0,0|3,0,0]=4 517 B12R1.169 COCC1CCCCN1CCN Amb21860254 [0,0,0,1,0,0|3,0,0]=4 518 B12R1.169 COCC1CCCCN1CCO Amb21860248 [0,0,0,1,0,0|2,0,0]=3 519 B12R1.169 N#CCN1CCCCC1CCO Amb6260406 [0,0,0,1,0,0|2,0,1]=4 520 B12R1.169 NCCN1CCCCC1CCO Amb9707555 [0,0,0,1,0,0|2,0,0]=3 521 B12R1.169 OCCC1CCCCN1CCCl Amb19041509 [0,0,0,1,0,0|2,0,0]=3 522 B12R1.169 OCCC1CCCCN1CCO Amb9370192 [0,0,0,1,0,0|2,0,0]=3 523 B12R1.169 OCCC1NCCNC1CCO Amb24060963 [0,0,0,1,0,0|3,0,0]=4 524 B12R1.169 OC\C=C1/CCCCC1CCO Amb28344944 [0,0,0,1,0,0|1,0,2]=4 525 B12R1.173 OCCN1CCCCCCCC1 Amb27980603 [0,0,0,1,0,0|1,0,0]=2 526 B12R1.173 OCCN1CCNCCSCC1 Amb21953507 [0,0,0,1,0,0|3,0,0]=4 527 B12R1.215 CN1CCCCCCNCCC1 Amb32753622 [0,0,0,1,0,0|3,0,0]=4 528 B12R1.215 O=C1CCCCCCCCCC1 Amb2778534 [0,0,0,1,0,0|0,0,2]=3 529 B12R1.215 O=C1CCCCCCCCCN1 Amb26068652 [0,0,0,1,0,0|1,0,2]=4 530 B12R1.215 O=C1CCCCCOCCCC1 Amb27177976 [0,0,0,1,0,0|1,0,2]=4 531 B12R1.215 OC1CC#CCCCCCCC1 Amb28188285 [0,0,0,1,0,0|0,0,2]=3 532 B12R1.215 O[C@H]1C=C=CCCCCCCC1 Amb27665486 [0,0,0,1,0,0|0,0,3]=4 533 B12R1.267 C#CCCCC1CCCCC1N Amb27416555 [0,0,0,1,0,0|1,0,2]=4 534 B12R1.267 C#CCCCC1CCCCC1O Amb24416932 [0,0,0,1,0,0|0,0,2]=3 535 B12R1.267 C#CCCCN1CCCCC1C Amb27195311 [0,0,0,1,0,0|2,0,1]=4 536 B12R1.267 C#CCCC[C@@H]1CCCC[C@H]1O Amb26426712 [0,0,0,1,0,0|0,0,2]=3 537 B12R1.267 C#CCCNC1CCCCC1O Amb27756558 [0,0,0,1,0,0|1,0,2]=4 538 B12R1.267 C#CCCN[C@@H]1CCCC[C@H]1O Amb28320629 [0,0,0,1,0,0|1,0,2]=4 539 B12R1.267 C#CCNCC1CCCCC1O Amb27590101 [0,0,0,1,0,0|1,0,2]=4 540 B12R1.267 C=C=CCC[C@H]1CCCC[C@@H]1O Amb27422493 [0,0,0,1,0,0|0,0,3]=4 541 B12R1.267 C=CCCCC1CCCCC1O Amb33213369 [0,0,0,1,0,0|0,0,2]=3 542 B12R1.267 C=CCCC[C@@H]1CCCC[C@H]1O Amb32945331 [0,0,0,1,0,0|0,0,2]=3 543 B12R1.267 CC#CCCC1CCCCC1N Amb27235544 [0,0,0,1,0,0|1,0,2]=4 544 B12R1.267 CC#CCCC1CCCCC1O Amb26322654 [0,0,0,1,0,0|0,0,2]=3 545 B12R1.267 CC#CCCC1CNCCC1O Amb27840447 [0,0,0,1,0,0|1,0,2]=4 546 B12R1.267 CC#CCC[C@@H]1CCCC[C@H]1O Amb32945173 [0,0,0,1,0,0|0,0,2]=3 547 B12R1.267 CC#CCOC1CCCCC1O Amb28398969 [0,0,0,1,0,0|1,0,2]=4 548 B12R1.267 CC1CCCCC1CNCC#N Amb18979886 [0,0,0,1,0,0|2,0,1]=4 549 B12R1.267 CC1CCCCC1NCCC#N Amb6736393 [0,0,0,1,0,0|2,0,1]=4 550 B12R1.267 CC1CCCCC1NCCCN Amb17315297 [0,0,0,1,0,0|2,0,0]=3 551 B12R1.267 CC1CCCCC1NCCCO Amb4304111 [0,0,0,1,0,0|1,0,0]=2 552 B12R1.267 CC1CCCCC1\C=C\CCN Amb28320812 [0,0,0,1,0,0|1,0,2]=4 553 B12R1.267 CC1CCCCN1CCCC#N Amb6268645 [0,0,0,1,0,0|2,0,1]=4 554 B12R1.267 CC1CCCCN1CCCCCl Amb17336177 [0,0,0,1,0,0|2,0,0]=3 555 B12R1.267 CC1CCCCN1CCCCN Amb5357863 [0,0,0,1,0,0|2,0,0]=3 556 B12R1.267 CC1CCCCN1CCCON Amb17104890 [0,0,0,1,0,0|3,0,0]=4 557 B12R1.267 CCC#CC[C@@H]1CCCC[C@@H]1O Amb28350135 [0,0,0,1,0,0|0,0,2]=3 558 B12R1.267 CCC#CC[C@@H]1CCCC[C@H]1O Amb27220286 [0,0,0,1,0,0|0,0,2]=3 559 B12R1.267 CCCC#CC1CCCCC1O Amb27197990 [0,0,0,1,0,0|0,0,2]=3 560 B12R1.267 CCCC#C[C@@H]1CCCC[C@H]1O Amb27653126 [0,0,0,1,0,0|0,0,2]=3 561 B12R1.267 CCCCCC1CCCCC1=O Amb18788895 [0,0,0,1,0,0|0,0,2]=3 562 B12R1.267 CCCCCC1CCCCC1O Amb18806707 [0,0,0,1,0,0|0,0,0]=1 563 B12R1.267 CCCCCN1CCNCC1C Amb17232790 [0,0,0,1,0,0|3,0,0]=4 564 B12R1.267 CCCCC[C@@H]1CCCC[C@H]1O Amb32944228 [0,0,0,1,0,0|0,0,0]=1 565 B12R1.267 CCCCNC1CCCCC1C Amb6690979 [0,0,0,1,0,0|2,0,0]=3 566 B12R1.267 CCCCNC1CNCCC1O Amb32753010 [0,0,0,1,0,0|2,0,0]=3 567 B12R1.267 CCCCN[C@H]1CNCC[C@@H]1O Amb32657879 [0,0,0,1,0,0|2,0,0]=3 568 B12R1.267 CCCCOC1CCCCC1Br Amb33349372 [0,0,0,1,0,0|2,0,0]=3 569 B12R1.267 CCCCOC1CCCCC1I Amb33349604 [0,0,0,1,0,0|2,0,0]=3 570 B12R1.267 CCCOCC1CCCCC1O Amb33213642 [0,0,0,1,0,0|1,0,0]=2 571 B12R1.267 CCCOC[C@@H]1CCCC[C@H]1O Amb32945321 [0,0,0,1,0,0|1,0,0]=2 572 B12R1.267 CCC\C=C\[C@@H]1CCCC[C@H]1O Amb28138742 [0,0,0,1,0,0|0,0,2]=3 573 B12R1.267 CCC\C=N\C1CCCCC1O Amb28318798 [0,0,0,1,0,0|1,0,1]=3 574 B12R1.267 CCNCCN1CCCCC1C Amb19024685 [0,0,0,1,0,0|3,0,0]=4 575 B12R1.267 CN1CCCCC1CCCC=O Amb33322453 [0,0,0,1,0,0|1,0,2]=4 576 B12R1.267 CN1CCCCC1CCCCN Amb33322457 [0,0,0,1,0,0|2,0,0]=3 577 B12R1.267 CN1CCCCC1CNCCO Amb18313081 [0,0,0,1,0,0|2,0,0]=3 578 B12R1.267 CN1CCCCC1COCCO Amb21865692 [0,0,0,1,0,0|2,0,0]=3 579 B12R1.267 COCCCC1CCCCC1O Amb18807460 [0,0,0,1,0,0|1,0,0]=2 580 B12R1.267 COCCC[C@@H]1CCCC[C@H]1O Amb32945788 [0,0,0,1,0,0|1,0,0]=2 581 B12R1.267 COCCNC1CCCCC1C Amb6685591 [0,0,0,1,0,0|3,0,0]=4 582 B12R1.267 COCCNC1CNCCC1O Amb32753007 [0,0,0,1,0,0|3,0,0]=4 583 B12R1.267 COCCN[C@H]1CNCC[C@@H]1O Amb32657870 [0,0,0,1,0,0|3,0,0]=4 584 B12R1.267 COCCOC1CCCCC1Br Amb33349373 [0,0,0,1,0,0|3,0,0]=4 585 B12R1.267 COCCOC1CCCCC1I Amb33349605 [0,0,0,1,0,0|3,0,0]=4 586 B12R1.267 COCCOC1CCCCC1N Amb6661451 [0,0,0,1,0,0|3,0,0]=4 587 B12R1.267 COCCOC1CCCCC1O Amb18808358 [0,0,0,1,0,0|2,0,0]=3 588 B12R1.267 C\C=C/COC1CCCCC1O Amb27243878 [0,0,0,1,0,0|1,0,2]=4 589 B12R1.267 C\C=C\COC1CCCCC1O Amb27194839 [0,0,0,1,0,0|1,0,2]=4 590 B12R1.267 N#CCCCN1CCCCC1O Amb27622884 [0,0,0,1,0,0|2,0,1]=4 591 B12R1.267 N#CCCSC1CCCCC1O Amb27416761 [0,0,0,1,0,0|2,0,1]=4 592 B12R1.267 N#CCNCC1CCCCC1O Amb27840408 [0,0,0,1,0,0|2,0,1]=4 593 B12R1.267 N#CCNC[C@@H]1CCCC[C@H]1O Amb28129803 [0,0,0,1,0,0|2,0,1]=4 594 B12R1.267 OC1CCCCC1\C=C\CCCl Amb28184875 [0,0,0,1,0,0|1,0,2]=4 595 B12R1.267 [C-]#[N+]CCCN1CCCCC1C Amb33747524 [0,0,0,1,0,0|3,0,0]=4 596 B12R1.271 CNCCCCNCC1CC1C Amb28963358 [0,0,0,1,0,0|3,0,0]=4 597 B12R1.271 CNCCCCNCC1CC1C Amb32670700 [0,0,0,1,0,0|3,0,0]=4 598 B12R1.272 CCCCCCCOC1CNC1 Amb18802643 [0,0,0,1,0,0|3,0,0]=4 599 B12R1.272 COCCCCCNC1CCC1 Amb33133272 [0,0,0,1,0,0|3,0,0]=4 600 B12R1.272 OCCCCCCOC1CNC1 Amb32941440 [0,0,0,1,0,0|2,0,0]=3 601 B12R1.281 C#CCC1CCCCCC1CN Amb27170406 [0,0,0,1,0,0|1,0,2]=4 602 B12R1.281 C=CCC1CCCCCC1NC Amb18799003 [0,0,0,1,0,0|2,0,1]=4 603 B12R1.281 C=CCN1CCCCCC1CO Amb27881501 [0,0,0,1,0,0|1,0,2]=4 604 B12R1.281 CCC1CCCCCC1CCN Amb35733868 [0,0,0,1,0,0|1,0,0]=2 605 B12R1.281 CCC1CCCCCC1NOC Amb35725726 [0,0,0,1,0,0|3,0,0]=4 606 B12R1.281 CCC1CCCCCN1CCI Amb28207013 [0,0,0,1,0,0|2,0,0]=3 607 B12R1.281 CCC1CCCCCN1CCO Amb27601383 [0,0,0,1,0,0|1,0,0]=2 608 B12R1.281 CCC1CCCCCN1CCS Amb27640921 [0,0,0,1,0,0|1,1,0]=3 609 B12R1.281 CCC1CCCCC\C1=C/CN Amb35734026 [0,0,0,1,0,0|1,0,2]=4 610 B12R1.281 CCCC1CCCCCC1NC Amb18801600 [0,0,0,1,0,0|2,0,0]=3 611 B12R1.281 CCCN1CCCNCC1CO Amb17578265 [0,0,0,1,0,0|2,0,0]=3 612 B12R1.281 CCN1CCCCCC1CC#N Amb27246476 [0,0,0,1,0,0|2,0,1]=4 613 B12R1.281 CCN1CCCCCC1CCO Amb27187666 [0,0,0,1,0,0|1,0,0]=2 614 B12R1.281 CCNC1CCCCCC1CO Amb27190715 [0,0,0,1,0,0|1,0,0]=2 615 B12R1.281 CCSC1CCCCCC1CN Amb9391478 [0,0,0,1,0,0|2,0,0]=3 616 B12R1.281 OCC1CCCCCN1CCBr Amb27881502 [0,0,0,1,0,0|2,0,0]=3 617 B12R1.281 OCCN1CCCCCC1CO Amb27218080 [0,0,0,1,0,0|2,0,0]=3 618 B12R1.320 COCC1CCCN1CCCBr Amb33231835 [0,0,0,1,0,0|3,0,0]=4 619 B12R1.329 C#CCNC1CCCCCCC1 Amb5262822 [0,0,0,1,0,0|2,0,1]=4 620 B12R1.329 C=CCNC1CCCCCCC1 Amb32652162 [0,0,0,1,0,0|2,0,1]=4 621 B12R1.329 C=CCNC1CCCCCCC1 Amb6683796 [0,0,0,1,0,0|2,0,1]=4 622 B12R1.329 CCCCN1CCCNCCC1 Amb18292629 [0,0,0,1,0,0|3,0,0]=4 623 B12R1.329 CCCNC1C=CCCCCC1 Amb27770740 [0,0,0,1,0,0|2,0,1]=4 624 B12R1.329 CCNCC1=CCCCCCC1 Amb28364817 [0,0,0,1,0,0|2,0,1]=4 625 B12R1.329 CCNCC1CCCCCCN1 Amb27465063 [0,0,0,1,0,0|2,0,0]=3 626 B12R1.329 CNCCC1CCCCCCC1 Amb18563069 [0,0,0,1,0,0|2,0,0]=3 627 B12R1.329 COCCN1CCCCCCC1 Amb13979396 [0,0,0,1,0,0|3,0,0]=4 628 B12R1.329 ClC\C=C\C1CCCCCCC1 Amb27805869 [0,0,0,1,0,0|1,0,2]=4 629 B12R1.329 FCCNC1CCCCCCC1 Amb27950263 [0,0,0,1,0,0|2,0,0]=3 630 B12R1.329 ICCCN1CCCCCCC1 Amb27451540 [0,0,0,1,0,0|2,0,0]=3 631 B12R1.329 N#CCCN1CCCCCCC1 Amb6750398 [0,0,0,1,0,0|2,0,1]=4 632 B12R1.329 OCCCC1CCCCCCN1 Amb18198426 [0,0,0,1,0,0|1,0,0]=2 633 B12R1.329 OCCCN1CCCCCCC1 Amb9246713 [0,0,0,1,0,0|1,0,0]=2 634 B12R1.329 OCCCN1CCCOCCC1 Amb28206113 [0,0,0,1,0,0|2,0,0]=3 635 B12R1.329 OCCNC1CCCCCCC1 Amb32729413 [0,0,0,1,0,0|1,0,0]=2 636 B12R1.329 OCCNC1CCCCCCC1 Amb6710305 [0,0,0,1,0,0|1,0,0]=2 637 B12R1.329 OCCOC1C#CCCCCC1 Amb27753030 [0,0,0,1,0,0|1,0,2]=4 638 B12R1.329 SCCNC1CCCCCCC1 Amb26371947 [0,0,0,1,0,0|1,1,0]=3 639 B12R1.372 CCCCC#C[C@@H]1CCC[C@@H]1N Amb28411025 [0,0,0,1,0,0|1,0,2]=4 640 B12R1.372 CCCCCCC1CCCC1=O Amb621142 [0,0,0,1,0,0|0,0,2]=3 641 B12R1.372 CCCCCCN1CCCC1=O Amb8387412 [0,0,0,1,0,0|1,0,2]=4 642 B12R1.372 CCCCCNC1CCOC1C Amb33442003 [0,0,0,1,0,0|3,0,0]=4 643 B12R1.372 CCCCCOC1CCCC1Br Amb33129925 [0,0,0,1,0,0|2,0,0]=3 644 B12R1.372 CCCCCOC1CCCC1I Amb33348895 [0,0,0,1,0,0|2,0,0]=3 645 B12R1.372 CCCCCOC1COCC1Br Amb33348599 [0,0,0,1,0,0|3,0,0]=4 646 B12R1.372 CCCCCOC1COCC1I Amb33348938 [0,0,0,1,0,0|3,0,0]=4 647 B12R1.372 CCOCCNC1CCCC1C Amb33496276 [0,0,0,1,0,0|3,0,0]=4 648 B12R1.372 CCOCCOC1CCCC1Br Amb33348479 [0,0,0,1,0,0|3,0,0]=4 649 B12R1.372 CCOCCOC1CCCC1I Amb33348900 [0,0,0,1,0,0|3,0,0]=4 650 B12R1.372 CN1CCCC1CCCCC=O Amb33320354 [0,0,0,1,0,0|1,0,2]=4 651 B12R1.372 CN1CCCC1CCCCCN Amb33320356 [0,0,0,1,0,0|2,0,0]=3 652 B12R1.372 CN1CCCC1COCCCN Amb33327040 [0,0,0,1,0,0|3,0,0]=4 653 B12R1.372 COCC#CCC1CCCC1O Amb32945446 [0,0,0,1,0,0|1,0,2]=4 654 B12R1.372 COCC#CC[C@@H]1CCC[C@H]1O Amb32950303 [0,0,0,1,0,0|1,0,2]=4 655 B12R1.372 COCCCC[C@@H]1CNC[C@@H]1N Amb32709371 [0,0,0,1,0,0|3,0,0]=4 656 B12R1.372 COCCCC[C@@H]1CNC[C@H]1O Amb32709342 [0,0,0,1,0,0|2,0,0]=3 657 B12R1.372 COCCCNC1CCCC1C Amb33496277 [0,0,0,1,0,0|3,0,0]=4 658 B12R1.372 COCCCOC1CCCC1Br Amb33348477 [0,0,0,1,0,0|3,0,0]=4 659 B12R1.372 COCCCOC1CCCC1I Amb33348898 [0,0,0,1,0,0|3,0,0]=4 660 B12R1.373 CCCCCCN1CCC1CN Amb33252021 [0,0,0,1,0,0|2,0,0]=3 661 B12R1.373 CCCOCCN1CCC1CN Amb33252025 [0,0,0,1,0,0|3,0,0]=4 662 B12R1.373 CCOCCCN1CCC1CN Amb33195405 [0,0,0,1,0,0|3,0,0]=4 663 B12R1.373 CCSCCCN1CCC1CN Amb33252035 [0,0,0,1,0,0|3,0,0]=4 664 B12R1.373 COCCCCN1CCC1CN Amb33252026 [0,0,0,1,0,0|3,0,0]=4 665 B12R1.373 NCC1CCN1CCCCCF Amb33252028 [0,0,0,1,0,0|3,0,0]=4 666 B12R1.375 CCCCNCCCCC1CC1 Amb32675845 [0,0,0,1,0,0|2,0,0]=3 667 B12R1.375 COCCNCCCCC1CC1 Amb32675835 [0,0,0,1,0,0|3,0,0]=4 668 B12R1.375 COCCOCCOCC1CO1 Amb24057511 [0,0,0,1,0,0|3,0,0]=4 669 B12R1.383 CC1CCC1CNCCCCO Amb32421511 [0,0,0,1,0,0|1,0,0]=2 670 B12R1.399 CNC1CCCCCCC1SC Amb27952593 [0,0,0,1,0,0|3,0,0]=4 671 B12R1.399 COC1CCCCCC\C1=N/O Amb27813364 [0,0,0,1,0,0|2,0,1]=4 672 B12R1.399 O=CN1CCCCCCC1CO Amb27179762 [0,0,0,1,0,0|2,0,1]=4 673 B12R1.399 OCC1CCCCCCC1CO Amb27472666 [0,0,0,1,0,0|1,0,0]=2 674 B12R1.410 CCC1CCCCCCCCC1 Amb6359494 [0,0,0,1,0,0|1,0,0]=2 675 B12R1.410 CCN1CCCCCNCCC1 Amb32753621 [0,0,0,1,0,0|3,0,0]=4 676 B12R1.410 CNC1CCCCCCCCC1 Amb13883575 [0,0,0,1,0,0|2,0,0]=3 677 B12R1.410 OCC1CCCC=CCCCC1 Amb27169923 [0,0,0,1,0,0|0,0,2]=3 678 B12R1.410 OCC1CCCCCCCCC1 Amb28189439 [0,0,0,1,0,0|0,0,0]=1 679 B12R1.410 OCC1CCCCNCCCC1 Amb27259380 [0,0,0,1,0,0|1,0,0]=2 680 B12R1.410 OCC1CNCCNCCNC1 Amb27632306 [0,0,0,1,0,0|3,0,0]=4 681 B12R1.410 ON=C1CCCCCCCCC1 Amb17671029 [0,0,0,1,0,0|1,0,1]=3 682 B12R1.458 CCCC1CCC1CNCCN Amb32420104 [0,0,0,1,0,0|2,0,0]=3 683 B12R1.550 C1=CCCCCCCCCCC1 Amb534273 [0,0,0,1,0,0|1,0,1]=3 684 B12R1.550 C1=CCCCCCCCCCC1 Amb9787102 [0,0,0,1,0,0|1,0,1]=3 685 B12R1.550 C1CCCCNCCNCCC1 Amb28135408 [0,0,0,1,0,0|2,0,0]=3 686 B12R1.550 C1CCNCCCCCNCC1 Amb24743503 [0,0,0,1,0,0|2,0,0]=3 687 B12R1.550 C1CCNCCNCCNCC1 Amb21953165 [0,0,0,1,0,0|3,0,0]=4 688 B12R1.550 C1CNCCCNCCCNC1 Amb21953152 [0,0,0,1,0,0|3,0,0]=4 689 B12R1.550 C1CNCCCNCCCNC1 Amb21953153 [0,0,0,1,0,0|3,0,0]=4 690 B12R1.550 C1CNCCCNCCCNC1 Amb22363165 [0,0,0,1,0,0|3,0,0]=4 691 B12R1.550 C1CNCCCSCCCNC1 Amb21953172 [0,0,0,1,0,0|2,1,0]=4 692 B12R1.550 C1CNCCCSCCCNC1 Amb21953173 [0,0,0,1,0,0|2,1,0]=4 693 B12R1.550 C1CNCCOCCNCCN1 Amb659170 [0,0,0,1,0,0|3,0,0]=4 694 B12R1.550 C1CNCCOCCOCCN1 Amb25995173 [0,0,0,1,0,0|3,0,0]=4 695 B12R1.550 C1COCCNCCOCCN1 Amb660003 [0,0,0,1,0,0|3,0,0]=4 696 B12R1.550 C1COCCOCCOCCN1 Amb660286 [0,0,0,1,0,0|3,0,0]=4 697 B12R1.550 C1COCCOCCOCCO1 Amb6356459 [0,0,0,1,0,0|3,0,0]=4 698 B12R1.550 C1CSCCCSCCCSC1 Amb21953196 [0,0,0,1,0,0|2,1,0]=4 699 B12R1.550 C1CSCCOCCSCCN1 Amb24121215 [0,0,0,1,0,0|3,0,0]=4 700 B12R1.1414 C#CCCCC1CCCCNC1 Amb27873618 [0,0,0,1,0,0|2,0,1]=4 701 B12R1.1414 C#CCNCC1CCCCCC1 Amb27389942 [0,0,0,1,0,0|2,0,1]=4 702 B12R1.1414 CCCCCN1CCCNCC1 Amb6249377 [0,0,0,1,0,0|3,0,0]=4 703 B12R1.1414 CCCCNC1=NCCCCC1 Amb27660010 [0,0,0,1,0,0|2,0,1]=4 704 B12R1.1414 CCCCNC1CCCCCC1 Amb22587068 [0,0,0,1,0,0|2,0,0]=3 705 B12R1.1414 CCCCNC1CCCCCC1 Amb6690970 [0,0,0,1,0,0|2,0,0]=3 706 B12R1.1414 CCNCCN1CCCCCC1 Amb13949094 [0,0,0,1,0,0|3,0,0]=4 707 B12R1.1414 CCNCCN1CCCCCC1 Amb9782678 [0,0,0,1,0,0|3,0,0]=4 708 B12R1.1414 CNCCCN1CCCCCC1 Amb10607516 [0,0,0,1,0,0|3,0,0]=4 709 B12R1.1414 COCCCN1CCCCCC1 Amb17232846 [0,0,0,1,0,0|3,0,0]=4 710 B12R1.1414 COCCNC1CCCCCC1 Amb6685581 [0,0,0,1,0,0|3,0,0]=4 711 B12R1.1414 ClCCCCN1CCCCCC1 Amb17336176 [0,0,0,1,0,0|2,0,0]=3 712 B12R1.1414 N#CCCCN1CCCCCC1 Amb4010764 [0,0,0,1,0,0|2,0,1]=4 713 B12R1.1414 NCCCCC1CCCCCC1 Amb33079329 [0,0,0,1,0,0|1,0,0]=2 714 B12R1.1414 NCCCCN1CCCCCC1 Amb22586873 [0,0,0,1,0,0|2,0,0]=3 715 B12R1.1414 NCCCCN1CCCCCC1 Amb5357868 [0,0,0,1,0,0|2,0,0]=3 716 B12R1.1414 NCCCNC1CCCCCC1 Amb17315279 [0,0,0,1,0,0|2,0,0]=3 717 B12R1.1414 NCCCOC1CCCCCC1 Amb19025686 [0,0,0,1,0,0|2,0,0]=3 718 B12R1.1414 NOCCCN1CCCCCC1 Amb17104889 [0,0,0,1,0,0|3,0,0]=4 719 B12R1.1414 O=C=NCCC1CCCCCC1 Amb25222900 [0,0,0,1,0,0|1,0,2]=4 720 B12R1.1414 O=CCCCC1CCCCCC1 Amb32880555 [0,0,0,1,0,0|0,0,2]=3 721 B12R1.1414 OCCCCN1CCCCCC1 Amb3204766 [0,0,0,1,0,0|1,0,0]=2 722 B12R1.1414 OCCCNC1CCCCCC1 Amb35752311 [0,0,0,1,0,0|1,0,0]=2 723 B12R1.1414 OCCCNC1CCCCCC1 Amb6733580 [0,0,0,1,0,0|1,0,0]=2 724 B12R1.1414 OCCNN=C1CCCCCC1 Amb27261375 [0,0,0,1,0,0|2,0,1]=4 725 B12R1.1414 [N-]=[N+]=NCCC1CCCCCC1 Amb32881852 [0,0,0,1,0,0|3,0,0]=4 726 B9R0.45 BrCCCCCCCCBr Amb2725461 [2,0,0,0,0,0|2,0,0]=4 727 B9R0.45 C#CCCCCCCCC Amb2721541 [2,0,0,0,0,0|0,0,2]=4 728 B9R0.45 C#CCCCCCCCO Amb10563785 [2,0,0,0,0,0|0,0,2]=4 729 B9R0.45 C=CCCCCCCCC Amb3940503 [2,0,0,0,0,0|0,0,2]=4 730 B9R0.45 C=CCCCCCCCO Amb22733549 [2,0,0,0,0,0|0,0,2]=4 731 B9R0.45 CC#CCCCCCCC Amb2721539 [2,0,0,0,0,0|0,0,2]=4 732 B9R0.45 CC#CCCCCCCO Amb27478697 [2,0,0,0,0,0|0,0,2]=4 733 B9R0.45 CCC#CCCCCCC Amb2721540 [2,0,0,0,0,0|0,0,2]=4 734 B9R0.45 CCC#CCCCCCO Amb28050678 [2,0,0,0,0,0|0,0,2]=4 735 B9R0.45 CCCC#CCCCCC Amb2721550 [2,0,0,0,0,0|0,0,2]=4 736 B9R0.45 CCCCC#CCCCC Amb2721554 [2,0,0,0,0,0|0,0,2]=4 737 B9R0.45 CCCCCC#CCCO Amb2721746 [2,0,0,0,0,0|0,0,2]=4 738 B9R0.45 CCCCCCC#CCO Amb2721748 [2,0,0,0,0,0|0,0,2]=4 739 B9R0.45 CCCCCCCCC#N Amb7764626 [2,0,0,0,0,0|1,0,1]=4 740 B9R0.45 CCCCCCCCCBr Amb3940224 [2,0,0,0,0,0|1,0,0]=3 741 B9R0.45 CCCCCCCCCC Amb7757835 [2,0,0,0,0,0|0,0,0]=2 742 B9R0.45 CCCCCCCCCCl Amb6652537 [2,0,0,0,0,0|1,0,0]=3 743 B9R0.45 CCCCCCCCCF Amb8515361 [2,0,0,0,0,0|1,0,0]=3 744 B9R0.45 CCCCCCCCCI Amb3940284 [2,0,0,0,0,0|1,0,0]=3 745 B9R0.45 CCCCCCCCCN Amb3987584 [2,0,0,0,0,0|1,0,0]=3 746 B9R0.45 CCCCCCCCCO Amb3940342 [2,0,0,0,0,0|0,0,0]=2 747 B9R0.45 CCCCCCCCC[Mg+] Amb22351330 [2,0,0,0,0,0|1,0,0]=3 748 B9R0.45 CCCCCCCCNC Amb7757640 [2,0,0,0,0,0|1,0,0]=3 749 B9R0.45 CCCCCCCCNN Amb7786451 [2,0,0,0,0,0|2,0,0]=4 750 B9R0.45 CCCCCCCCNO Amb28069968 [2,0,0,0,0,0|1,0,0]=3 751 B9R0.45 CCCCCCCCON Amb2818885 [2,0,0,0,0,0|2,0,0]=4 752 B9R0.45 CCCCCCCCSC Amb10553780 [2,0,0,0,0,0|1,0,0]=3 753 B9R0.45 CCCCCCCOCC Amb26332517 [2,0,0,0,0,0|1,0,0]=3 754 B9R0.45 CCCCCCNCCC Amb6730565 [2,0,0,0,0,0|1,0,0]=3 755 B9R0.45 CCCCCCNCCCl Amb27175028 [2,0,0,0,0,0|2,0,0]=4 756 B9R0.45 CCCCCCNCCN Amb33611669 [2,0,0,0,0,0|2,0,0]=4 757 B9R0.45 CCCCCCNCCN Amb9786764 [2,0,0,0,0,0|2,0,0]=4 758 B9R0.45 CCCCCCNCCO Amb2720857 [2,0,0,0,0,0|1,0,0]=3 759 B9R0.45 CCCCCCOCCC Amb27838831 [2,0,0,0,0,0|1,0,0]=3 760 B9R0.45 CCCCCCOCCCl Amb8828502 [2,0,0,0,0,0|2,0,0]=4 761 B9R0.45 CCCCCCOCCO Amb9787183 [2,0,0,0,0,0|1,0,0]=3 762 B9R0.45 CCCCCCPCCN Amb28121064 [2,0,0,0,0,0|2,0,0]=4 763 B9R0.45 CCCCCCSCCCl Amb22228746 [2,0,0,0,0,0|2,0,0]=4 764 B9R0.45 CCCCCCSCCN Amb7794935 [2,0,0,0,0,0|2,0,0]=4 765 B9R0.45 CCCCCC\C=C/CO Amb10807383 [2,0,0,0,0,0|0,0,2]=4 766 B9R0.45 CCCCCC\C=C\CO Amb22168300 [2,0,0,0,0,0|0,0,2]=4 767 B9R0.45 CCCCCNCCCBr Amb27171159 [2,0,0,0,0,0|2,0,0]=4 768 B9R0.45 CCCCCNCCCC Amb6688183 [2,0,0,0,0,0|1,0,0]=3 769 B9R0.45 CCCCCNCCCF Amb27757655 [2,0,0,0,0,0|2,0,0]=4 770 B9R0.45 CCCCCNCCCN Amb17315271 [2,0,0,0,0,0|2,0,0]=4 771 B9R0.45 CCCCCNCCCO Amb6733807 [2,0,0,0,0,0|1,0,0]=3 772 B9R0.45 CCCCCNCCNC Amb2691992 [2,0,0,0,0,0|2,0,0]=4 773 B9R0.45 CCCCCNCCOC Amb6708081 [2,0,0,0,0,0|2,0,0]=4 774 B9R0.45 CCCCCSCCCF Amb28204722 [2,0,0,0,0,0|2,0,0]=4 775 B9R0.45 CCCCCSCCCN Amb17500694 [2,0,0,0,0,0|2,0,0]=4 776 B9R0.45 CCCCCSCCCO Amb17502837 [2,0,0,0,0,0|1,0,0]=3 777 B9R0.45 CCCCCSCCSC Amb28282346 [2,0,0,0,0,0|2,0,0]=4 778 B9R0.45 CCCCC\C=C/CCO Amb9825885 [2,0,0,0,0,0|0,0,2]=4 779 B9R0.45 CCCCC\C=C\CCO Amb27953070 [2,0,0,0,0,0|0,0,2]=4 780 B9R0.45 CCCCNCCCCBr Amb27403712 [2,0,0,0,0,0|2,0,0]=4 781 B9R0.45 CCCCNCCCNC Amb24502382 [2,0,0,0,0,0|2,0,0]=4 782 B9R0.45 CCCCNCCCOC Amb6730310 [2,0,0,0,0,0|2,0,0]=4 783 B9R0.45 CCCCNCCOCC Amb9241010 [2,0,0,0,0,0|2,0,0]=4 784 B9R0.45 CCCCOCCCCBr Amb8895240 [2,0,0,0,0,0|2,0,0]=4 785 B9R0.45 CCCCOCCCCCl Amb18798377 [2,0,0,0,0,0|2,0,0]=4 786 B9R0.45 CCCCOCCCCO Amb19375051 [2,0,0,0,0,0|1,0,0]=3 787 B9R0.45 CCCCOCCOCC Amb25248413 [2,0,0,0,0,0|2,0,0]=4 788 B9R0.45 CCCCSCCCCN Amb9480126 [2,0,0,0,0,0|2,0,0]=4 789 B9R0.45 CCCCSCCCCS Amb28206440 [2,0,0,0,0,0|1,1,0]=4 790 B9R0.45 CCCCSCCCOC Amb27651352 [2,0,0,0,0,0|2,0,0]=4 791 B9R0.45 CCCCSCCOCC Amb10669603 [2,0,0,0,0,0|2,0,0]=4 792 B9R0.45 CCCCSSCCCC Amb8513071 [2,0,0,0,0,0|2,0,0]=4 793 B9R0.45 CCCC[Te][Te]CCCC Amb8515301 [2,0,0,0,0,0|2,0,0]=4 794 B9R0.45 CCCC\C=C/CCCC Amb27196227 [2,0,0,0,0,0|0,0,2]=4 795 B9R0.45 CCCC\C=C\CCCC Amb2721542 [2,0,0,0,0,0|0,0,2]=4 796 B9R0.45 CCCNCCCCCBr Amb27614955 [2,0,0,0,0,0|2,0,0]=4 797 B9R0.45 CCCNCCCCCO Amb17334254 [2,0,0,0,0,0|1,0,0]=3 798 B9R0.45 CCCNCCCCSC Amb18798068 [2,0,0,0,0,0|2,0,0]=4 799 B9R0.45 CCCNCCCSCC Amb18177748 [2,0,0,0,0,0|2,0,0]=4 800 B9R0.45 CCCNCCNCCO Amb24644910 [2,0,0,0,0,0|2,0,0]=4 801 B9R0.45 CCCNCCOCCO Amb6736235 [2,0,0,0,0,0|2,0,0]=4 802 B9R0.45 CCCOCCCCCBr Amb27494337 [2,0,0,0,0,0|2,0,0]=4 803 B9R0.45 CCCOCCCCCN Amb27869443 [2,0,0,0,0,0|2,0,0]=4 804 B9R0.45 CCCOCCOCCC Amb27441214 [2,0,0,0,0,0|2,0,0]=4 805 B9R0.45 CCCOCCOCCO Amb22351569 [2,0,0,0,0,0|2,0,0]=4 806 B9R0.45 CCCSCCCCCBr Amb27603024 [2,0,0,0,0,0|2,0,0]=4 807 B9R0.45 CCCSCCCCCCl Amb9304986 [2,0,0,0,0,0|2,0,0]=4 808 B9R0.45 CCCSCCCCCS Amb27431515 [2,0,0,0,0,0|1,1,0]=4 809 B9R0.45 CCCSCCNCCO Amb27618844 [2,0,0,0,0,0|2,0,0]=4 810 B9R0.45 CCCSCCSCCC Amb4019972 [2,0,0,0,0,0|2,0,0]=4 811 B9R0.45 CCCSCCSCCO Amb27433297 [2,0,0,0,0,0|2,0,0]=4 812 B9R0.45 CCC\C=C\CCCCC Amb22231673 [2,0,0,0,0,0|0,0,2]=4 813 B9R0.45 CCNCCCCCCN Amb25855319 [2,0,0,0,0,0|2,0,0]=4 814 B9R0.45 CCNCCCCCOC Amb28186272 [2,0,0,0,0,0|2,0,0]=4 815 B9R0.45 CCNCCCCCSC Amb27167121 [2,0,0,0,0,0|2,0,0]=4 816 B9R0.45 CCNCCCCNCC Amb20621746 [2,0,0,0,0,0|2,0,0]=4 817 B9R0.45 CCNCCCNCCO Amb27770477 [2,0,0,0,0,0|2,0,0]=4 818 B9R0.45 CCOCCCCCCS Amb27834959 [2,0,0,0,0,0|1,1,0]=4 819 B9R0.45 CCOCCCCOCC Amb10807403 [2,0,0,0,0,0|2,0,0]=4 820 B9R0.45 CCOCCSCCCO Amb27830336 [2,0,0,0,0,0|2,0,0]=4 821 B9R0.45 CCONCCCCCO Amb28245082 [2,0,0,0,0,0|2,0,0]=4 822 B9R0.45 CCSCCCCCCCl Amb18186755 [2,0,0,0,0,0|2,0,0]=4 823 B9R0.45 CCSCCCCSCC Amb4017492 [2,0,0,0,0,0|2,0,0]=4 824 B9R0.45 CCSCCNCCCO Amb27797112 [2,0,0,0,0,0|2,0,0]=4 825 B9R0.45 CCSCCSCCCO Amb27489348 [2,0,0,0,0,0|2,0,0]=4 826 B9R0.45 CC\C=C\CCCCCC Amb22231672 [2,0,0,0,0,0|0,0,2]=4 827 B9R0.45 CC\N=N\CCCCCO Amb27631929 [2,0,0,0,0,0|2,0,0]=4 828 B9R0.45 CNCCCCCCNC Amb9826092 [2,0,0,0,0,0|2,0,0]=4 829 B9R0.45 CNCCCCNCCO Amb27630866 [2,0,0,0,0,0|2,0,0]=4 830 B9R0.45 CNCCSCCCCO Amb28193864 [2,0,0,0,0,0|2,0,0]=4 831 B9R0.45 COCCCCCCCCl Amb28066514 [2,0,0,0,0,0|2,0,0]=4 832 B9R0.45 COCCCCCCOC Amb10807404 [2,0,0,0,0,0|2,0,0]=4 833 B9R0.45 COCCCCNCCO Amb28368980 [2,0,0,0,0,0|2,0,0]=4 834 B9R0.45 COCCCNCCCO Amb17308606 [2,0,0,0,0,0|2,0,0]=4 835 B9R0.45 COCCCOCCCO Amb20242414 [2,0,0,0,0,0|2,0,0]=4 836 B9R0.45 COCOCCCCCO Amb27839456 [2,0,0,0,0,0|2,0,0]=4 837 B9R0.45 CONCCCCCCO Amb27952629 [2,0,0,0,0,0|2,0,0]=4 838 B9R0.45 CSCCCCCCCN Amb27860341 [2,0,0,0,0,0|2,0,0]=4 839 B9R0.45 CSCCCCCCSC Amb6366244 [2,0,0,0,0,0|2,0,0]=4 840 B9R0.45 CSCCCSCCCO Amb28132547 [2,0,0,0,0,0|2,0,0]=4 841 B9R0.45 C\C=C/CCCCCCC Amb26019969 [2,0,0,0,0,0|0,0,2]=4 842 B9R0.45 C\C=C\CCCCCCO Amb27980554 [2,0,0,0,0,0|0,0,2]=4 843 B9R0.45 ClCCCCCCCCCl Amb2721447 [2,0,0,0,0,0|2,0,0]=4 844 B9R0.45 FCCCCCCCCBr Amb27265588 [2,0,0,0,0,0|2,0,0]=4 845 B9R0.45 FCCCCCCCCCl Amb28067739 [2,0,0,0,0,0|2,0,0]=4 846 B9R0.45 FCCCCCCCCF Amb22641491 [2,0,0,0,0,0|2,0,0]=4 847 B9R0.45 NCCCCCCCCN Amb8387247 [2,0,0,0,0,0|2,0,0]=4 848 B9R0.45 NCCCCCCCCO Amb24116967 [2,0,0,0,0,0|1,0,0]=3 849 B9R0.45 NCCCCCNCCO Amb8394909 [2,0,0,0,0,0|2,0,0]=4 850 B9R0.45 NCCCCNCCCO Amb27473423 [2,0,0,0,0,0|2,0,0]=4 851 B9R0.45 NCCCCSCCCO Amb17500966 [2,0,0,0,0,0|2,0,0]=4 852 B9R0.45 NCCCOCCCCO Amb28454517 [2,0,0,0,0,0|2,0,0]=4 853 B9R0.45 O=CCCCCCCCO Amb25765567 [2,0,0,0,0,0|1,0,1]=4 854 B9R0.45 OCCCCCCCCBr Amb4296902 [2,0,0,0,0,0|1,0,0]=3 855 B9R0.45 OCCCCCCCCCl Amb6366711 [2,0,0,0,0,0|1,0,0]=3 856 B9R0.45 OCCCCCCCCF Amb25330666 [2,0,0,0,0,0|1,0,0]=3 857 B9R0.45 OCCCCCCCCI Amb32411246 [2,0,0,0,0,0|1,0,0]=3 858 B9R0.45 OCCCCCCCCO Amb8383419 [2,0,0,0,0,0|1,0,0]=3 859 B9R0.45 OCCCCCCCCS Amb28046913 [2,0,0,0,0,0|1,0,0]=3 860 B9R0.45 OCCCCCOCCCl Amb28321747 [2,0,0,0,0,0|2,0,0]=4 861 B9R0.45 OCCCCCOCCO Amb27847385 [2,0,0,0,0,0|2,0,0]=4 862 B9R0.45 OCCCCCSCCO Amb18800854 [2,0,0,0,0,0|2,0,0]=4 863 B9R0.45 OCCCCOCCCO Amb27218138 [2,0,0,0,0,0|2,0,0]=4 864 B9R0.45 OCCCNCCCCF Amb27752581 [2,0,0,0,0,0|2,0,0]=4 865 B9R0.45 OCCCSCCCCF Amb28204584 [2,0,0,0,0,0|2,0,0]=4 866 B9R0.45 OCCCSCCCCS Amb27452872 [2,0,0,0,0,0|2,0,0]=4 867 B9R0.45 OCCNCCCCCF Amb27805496 [2,0,0,0,0,0|2,0,0]=4 868 B9R0.45 [NH3+]CCCCCCCC[NH3+] Amb16234024 [2,0,0,0,0,0|2,0,0]=4 869 B11R0.4 CCCC(C)NCCOCCO Amb6736254 [1,1,0,0,0,0|2,0,0]=4 870 B11R0.4 CCCCCCCC(=O)OCC Amb6608755 [1,1,0,0,0,0|1,0,1]=4 871 B11R0.4 CCCCCCCC(O)CCC Amb18803156 [1,1,0,0,0,0|0,0,0]=2 872 B11R0.4 CCCCCCCC(O)CCN Amb32693374 [1,1,0,0,0,0|1,0,0]=3 873 B11R0.4 CCCCCCNC(=O)CCC Amb17855601 [1,1,0,0,0,0|1,0,1]=4 874 B11R0.40 CCC(C)CNCCOCCO Amb6736305 [1,1,0,0,0,0|2,0,0]=4 875 B11R0.40 CCC(C)NCCCCCOC Amb33133265 [1,1,0,0,0,0|2,0,0]=4 876 B11R0.40 CCCCCCCCC(=O)CC Amb9024774 [1,1,0,0,0,0|0,0,1]=3 877 B11R0.40 CCCCCCCCC(=O)OC Amb8517582 [1,1,0,0,0,0|1,0,1]=4 878 B11R0.40 CCCCCCCCC(Br)CBr Amb9787331 [1,1,0,0,0,0|1,0,0]=3 879 B11R0.40 CCCCCCCCC(C)CBr Amb32688274 [1,1,0,0,0,0|1,0,0]=3 880 B11R0.40 CCCCCCCCC(C)CCl Amb32688273 [1,1,0,0,0,0|1,0,0]=3 881 B11R0.40 CCCCCCCCC(N)CO Amb22536244 [1,1,0,0,0,0|0,0,0]=2 882 B11R0.40 CCCCCCCCC(O)CO Amb8517521 [1,1,0,0,0,0|0,0,0]=2 883 B11R0.40 CCCCCCCNC(C)CC Amb7794405 [1,1,0,0,0,0|1,0,0]=3 884 B11R0.40 CCCCCCCOC(=O)CC Amb9787227 [1,1,0,0,0,0|1,0,1]=4 885 B11R0.40 CCCCCCOCC(O)CCl Amb9787121 [1,1,0,0,0,0|2,0,0]=4 886 B11R0.40 CCCCNCCCC(C)OC Amb33133286 [1,1,0,0,0,0|2,0,0]=4 887 B11R0.40 CCCCNCCNC(C)CC Amb2692008 [1,1,0,0,0,0|2,0,0]=4 888 B11R0.81 CCCCCCC(=O)NCCO Amb5797932 [1,1,0,0,0,0|1,0,1]=4 889 B11R0.81 CCCCCCC(C)OCCCl Amb8828496 [1,1,0,0,0,0|2,0,0]=4 890 B11R0.81 CCCCN(C)CCCCCN Amb5357879 [1,1,0,0,0,0|2,0,0]=4 891 B11R0.81 CSCCCNC(C)CCCO Amb33363384 [1,1,0,0,0,0|2,0,0]=4 892 B11R0.140 CCCCCC(=O)CCCCC Amb6608883 [1,1,0,0,0,0|0,0,1]=3 893 B11R0.140 CCCCCC(N)CCCCC Amb9620841 [1,1,0,0,0,0|0,0,0]=2 894 B11R0.140 CCCCCC(S)CCCCC Amb32788302 [1,1,0,0,0,0|0,0,0]=2 895 B11R0.140 NCCCCC(F)CCCCN Amb33620813 [1,1,0,0,0,0|2,0,0]=4 896 B11R0.148 C=C(Br)CCCCCCCCC Amb6298936 [1,1,0,0,0,0|0,0,2]=4 897 B11R0.148 C=C(C)CCCCCCCCC Amb6298942 [1,1,0,0,0,0|0,0,1]=3 898 B11R0.148 C=C(Cl)CCCCCCCCC Amb6298930 [1,1,0,0,0,0|0,0,2]=4 899 B11R0.148 CC(C)CCNCCCCCO Amb17334954 [1,1,0,0,0,0|1,0,0]=3 900 B11R0.148 CC(C)CCNCCNCCO Amb32454896 [1,1,0,0,0,0|2,0,0]=4 901 B11R0.148 CC(C)CCNCCOCCO Amb6736113 [1,1,0,0,0,0|2,0,0]=4 902 B11R0.148 CC(C)OCCCOCCCO Amb35796436 [1,1,0,0,0,0|2,0,0]=4 903 B11R0.148 CC(O)CCCCCCCCO Amb33331053 [1,1,0,0,0,0|0,0,0]=2 904 B11R0.148 CCCCCCCCCC(=O)Cl Amb8513576 [1,1,0,0,0,0|0,0,2]=4 905 B11R0.148 CCCCCCCCCC(=O)O Amb5718031 [1,1,0,0,0,0|0,0,1]=3 906 B11R0.148 CCCCCCCCCC(C)=O Amb6307417 [1,1,0,0,0,0|0,0,1]=3 907 B11R0.148 CCCCCCCCCC(C)C Amb22043228 [1,1,0,0,0,0|0,0,0]=2 908 B11R0.148 CCCCCCCCCC(C)N Amb6366423 [1,1,0,0,0,0|0,0,0]=2 909 B11R0.148 CCCCCCCCCC(N)=O Amb6366435 [1,1,0,0,0,0|0,0,2]=4 910 B11R0.148 CCCCCCCCCC(N)=S Amb7794719 [1,1,0,0,0,0|0,1,1]=4 911 B11R0.148 CCCCCCCCCS(=O)Cl Amb32720537 [1,1,0,0,0,0|1,0,1]=4 912 B11R0.148 CCCCCCCCCS(=O)[O-] Amb32755589 [1,1,0,0,0,0|1,0,1]=4 913 B11R0.148 CCCCCCCCCS(N)=O Amb32720538 [1,1,0,0,0,0|1,0,1]=4 914 B11R0.148 CCCCCCCCNC(C)=O Amb33551736 [1,1,0,0,0,0|1,0,1]=4 915 B11R0.148 CCCCCCCCOC(C)=O Amb8515405 [1,1,0,0,0,0|1,0,1]=4 916 B11R0.148 CCCCCCCNCC(=O)O Amb19373457 [1,1,0,0,0,0|1,0,1]=4 917 B11R0.148 CCCCCCCNCC(=O)O Amb8827566 [1,1,0,0,0,0|1,0,1]=4 918 B11R0.148 CCCCCCCNCC(C)C Amb7757190 [1,1,0,0,0,0|1,0,0]=3 919 B11R0.148 CCCCCCNCCC(=O)O Amb8830823 [1,1,0,0,0,0|1,0,1]=4 920 B11R0.148 CCCCCCNCCC(C)C Amb6620655 [1,1,0,0,0,0|1,0,0]=3 921 B11R0.148 CCCCSCCCCC(=O)O Amb1032990 [1,1,0,0,0,0|1,0,1]=4 922 B11R0.148 CN(C)CCCCCCCCN Amb24117500 [1,1,0,0,0,0|2,0,0]=4 923 B11R0.148 COCCCCCNCC(C)C Amb18803744 [1,1,0,0,0,0|2,0,0]=4 924 B11R0.148 O=C(O)CCCCCCCCBr Amb8631538 [1,1,0,0,0,0|1,0,1]=4 925 B11R0.148 O=C(O)CCCCCCCCO Amb3372037 [1,1,0,0,0,0|1,0,1]=4 926 B13R0.2 CCCCCCCCCC(=O)CCC Amb9031610 [0,2,0,0,0,0|1,0,0]=3 927 B13R0.2 CCCCCCCCCC(=O)OCCl Amb31282507 [0,2,0,0,0,0|1,0,1]=4 928 B13R0.2 CCCCCCCCCC(=O)OCI Amb32410583 [0,2,0,0,0,0|1,0,1]=4 929 B13R0.2 CCCCCCCCCC(C)CC=O Amb33421993 [0,2,0,0,0,0|0,0,1]=3 930 B13R0.2 CCCCCCCCCC(C)CCO Amb33321507 [0,2,0,0,0,0|0,0,0]=2 931 B13R0.2 CCCCCCCCCC(O)CCO Amb24081769 [0,2,0,0,0,0|0,0,0]=2 932 B13R0.2 CCCCCCCCNC(=O)CCCl Amb17327381 [0,2,0,0,0,0|1,0,1]=4 933 B13R0.2 CCCCCCCCNC(C)COC Amb7757669 [0,2,0,0,0,0|1,0,0]=3 934 B13R0.2 CCOC(=O)CCCCCCCCBr Amb21520303 [0,2,0,0,0,0|1,0,1]=4 935 B13R0.66 CCCCCCCCS(=O)CCCCl Amb22731437 [0,2,0,0,0,0|1,0,0]=3 936 B13R0.66 CCCCCCCNC(=O)CCCCl Amb17323882 [0,2,0,0,0,0|1,0,1]=4 937 B13R0.282 CCCCNCCCC(CCC)OC Amb23538252 [0,2,0,0,0,0|2,0,0]=4 938 B13R0.335 CCCCCCCCC(C)CC(=O)O Amb28653289 [0,2,0,0,0,0|0,0,1]=3 939 B13R0.340 CCCCCCCCC(F)[C@@H](O)CO Amb24122594 [0,2,0,0,0,0|0,0,0]=2 940 B13R0.1338 CCCCCCCCS(=O)(=O)CCCl Amb1039001 [0,2,0,0,0,0|2,0,0]=4 941 B13R0.1338 CCCCCCCCS(=O)(=O)CCN Amb3377635 [0,2,0,0,0,0|2,0,0]=4 942 B13R0.54 C=CCCCCCCCCCC(=O)O Amb6296074 [0,2,0,0,0,0|0,0,2]=4 943 B13R0.54 CC(C)CCCCCCCCCCO Amb22055767 [0,2,0,0,0,0|0,0,0]=2 944 B13R0.54 CCCCCCCCCCCC(=O)Cl Amb3940238 [0,2,0,0,0,0|0,0,1]=3 945 B13R0.54 CCCCCCCCCCCC(=O)O Amb2708779 [0,2,0,0,0,0|0,0,0]=2 946 B13R0.54 CCCCCCCCCCCC(=O)[O-] Amb22729066 [0,2,0,0,0,0|0,0,1]=3 947 B13R0.54 CCCCCCCCCCCC(=O)[O-] Amb8516675 [0,2,0,0,0,0|0,0,1]=3 948 B13R0.54 CCCCCCCCCCCC(C)Br Amb22734063 [0,2,0,0,0,0|1,0,0]=3 949 B13R0.54 CCCCCCCCCCCC(C)N Amb21953727 [0,2,0,0,0,0|1,0,0]=3 950 B13R0.54 CCCCCCCCCCCC(N)=O Amb4008368 [0,2,0,0,0,0|0,0,1]=3 951 B13R0.54 CCCCCCCCCCCC(N)=S Amb13953232 [0,2,0,0,0,0|0,1,0]=3 952 B13R0.54 CCCCCCCCCCCN(C)C Amb8516600 [0,2,0,0,0,0|1,0,0]=3 953 B13R0.54 CCCCCCCCCCOC(=O)Cl Amb22337976 [0,2,0,0,0,0|0,0,2]=4 954 B13R0.54 CCCCCCCCC\C=C/C(=O)O Amb30666645 [0,2,0,0,0,0|0,0,2]=4 955 B13R0.54 CCCCCCCCC\C=C\C(=O)O Amb13952752 [0,2,0,0,0,0|0,0,2]=4 956 B13R0.54 CCCCCCCCSCCC(=O)O Amb1038994 [0,2,0,0,0,0|0,0,1]=3 957 B13R0.54 CCCCCNCCCCCC(=O)O Amb32410634 [0,2,0,0,0,0|0,0,1]=3 958 B13R0.54 CCCCOCCOCCCC(=O)O Amb9208474 [0,2,0,0,0,0|1,0,1]=4 959 B13R0.54 CCCCSCCCCCCC(=O)O Amb1036584 [0,2,0,0,0,0|0,0,1]=3 960 B13R0.54 CN(C)CCCCCCCCCCN Amb24117501 [0,2,0,0,0,0|1,0,0]=3 961 B13R0.54 N#CCCCCCCCCCC(=O)O Amb22547629 [0,2,0,0,0,0|0,0,2]=4 962 B13R0.54 NCCCCCCCCCCC(=O)Cl Amb17143769 [0,2,0,0,0,0|0,0,2]=4 963 B13R0.54 NCCCCCCCCCCC(=O)O Amb3940461 [0,2,0,0,0,0|0,0,1]=3 964 B13R0.54 O=C(O)CCCCCCCCCCBr Amb639361 [0,2,0,0,0,0|0,0,1]=3 965 B13R0.54 O=C(O)CCCCCCCCCCCl Amb534918 [0,2,0,0,0,0|0,0,1]=3 966 B13R0.54 O=C(O)CCCCCCCCCCO Amb1814707 [0,2,0,0,0,0|0,0,1]=3 967 B13R0.54 O=C(O)CCCCCCCCCCS Amb584507 [0,2,0,0,0,0|0,0,1]=3 968 B13R0.147 CCCCCCCCCCC(=O)NN Amb534278 [0,2,0,0,0,0|0,0,2]=4 969 B13R0.147 CCCCCCCCCCC(=O)OC Amb9787313 [0,2,0,0,0,0|0,0,1]=3 970 B13R0.147 CCCCCCCCCCC(Br)CBr Amb9787291 [0,2,0,0,0,0|1,0,0]=3 971 B13R0.147 CCCCCCCCCCC(C)C=O Amb32671323 [0,2,0,0,0,0|0,0,1]=3 972 B13R0.147 CCCCCCCCCCC(C)CBr Amb30988003 [0,2,0,0,0,0|1,0,0]=3 973 B13R0.147 CCCCCCCCCCC(C)CO Amb30988002 [0,2,0,0,0,0|0,0,0]=2 974 B13R0.147 CCCCCCCCCCC(Cl)CCl Amb9787269 [0,2,0,0,0,0|1,0,0]=3 975 B13R0.147 CCCCCCCCCCC(O)CO Amb22002456 [0,2,0,0,0,0|0,0,0]=2 976 B13R0.147 CCCCCCCCCNC(=O)CCl Amb17797886 [0,2,0,0,0,0|1,0,1]=4 977 B13R0.147 CCCCCCCCCNC(C)CC Amb7794406 [0,2,0,0,0,0|1,0,0]=3 978 B13R0.147 CCCCCCCCOCC(O)CO Amb4458899 [0,2,0,0,0,0|0,0,0]=2 979 B13R0.147 CCCCCCNCCNC(C)CC Amb2692010 [0,2,0,0,0,0|2,0,0]=4 980 B13R0.147 COC(=O)CCCCCCCCCBr Amb3941556 [0,2,0,0,0,0|1,0,1]=4 981 B13R0.147 COC(=O)CCCCCCCCCN Amb32680801 [0,2,0,0,0,0|1,0,1]=4 982 B13R0.147 COC(=O)CCCCCCCCCN Amb33330795 [0,2,0,0,0,0|1,0,1]=4 983 B13R0.165 CCCCCCC(=O)CCCCCC Amb1158882 [0,2,0,0,0,0|1,0,0]=3 984 B13R0.165 CCCCCCC(=O)OCCCCC Amb24087762 [0,2,0,0,0,0|1,0,1]=4 985 B13R0.165 CCCCCCC(N)COCCOC Amb32716396 [0,2,0,0,0,0|1,0,0]=3 986 B13R0.165 CCCCCCC(O)COCCOC Amb32716372 [0,2,0,0,0,0|1,0,0]=3 987 B13R0.336 BrCCCCCCCCCCCCBr Amb8513538 [0,2,0,0,0,0|1,0,0]=3 988 B13R0.336 C=CCSCCCCCCCCCC Amb9787753 [0,2,0,0,0,0|1,0,0]=3 989 B13R0.336 CCCCCCCCCCCCCBr Amb16234183 [0,2,0,0,0,0|1,0,0]=3 990 B13R0.336 CCCCCCCCCCCCCC Amb8513726 [0,2,0,0,0,0|1,0,0]=3 991 B13R0.336 CCCCCCCCCCCCCCl Amb9787118 [0,2,0,0,0,0|1,0,0]=3 992 B13R0.336 CCCCCCCCCCCCCN Amb8513364 [0,2,0,0,0,0|1,0,0]=3 993 B13R0.336 CCCCCCCCCCCCCO Amb2748034 [0,2,0,0,0,0|0,0,0]=2 994 B13R0.336 CCCCCCCCCCCCNC Amb3941528 [0,2,0,0,0,0|1,0,0]=3 995 B13R0.336 CCCCCCCCCCCCON Amb24117984 [0,2,0,0,0,0|0,0,0]=2 996 B13R0.336 CCCCCCCCCCCN=C=S Amb19883893 [0,2,0,0,0,0|0,1,0]=3 997 B13R0.336 CCCCCCCCCCCSCC Amb32410616 [0,2,0,0,0,0|0,1,0]=3 998 B13R0.336 CCCCCCCCCCNCCC Amb9787079 [0,2,0,0,0,0|1,0,0]=3 999 B13R0.336 CCCCCCCCCCNCCN Amb18333779 [0,2,0,0,0,0|1,0,0]=3 1000 B13R0.336 CCCCCCCCCCNCCO Amb9787053 [0,2,0,0,0,0|0,0,0]=2 1001 B13R0.336 CCCCCCCCCCOCCCl Amb9787198 [0,2,0,0,0,0|1,0,0]=3 1002 B13R0.336 CCCCCCCCCCSCCO Amb1032989 [0,2,0,0,0,0|0,0,0]=2 1003 B13R0.336 CCCCCCCCCC\C=C\C#N Amb6600578 [0,2,0,0,0,0|1,0,1]=4 1004 B13R0.336 CCCCCCCCCNCCOC Amb7794404 [0,2,0,0,0,0|0,0,0]=2 1005 B13R0.336 CCCCCCCOCCOCCCl Amb9786143 [0,2,0,0,0,0|1,0,0]=3 1006 B13R0.336 CCCCCCSSCCCCCC Amb6366453 [0,2,0,0,0,0|1,0,0]=3 1007 B13R0.336 CCCCNCCOCCOCCO Amb9786284 [0,2,0,0,0,0|1,0,0]=3 1008 B13R0.336 CCCCOCCOCCOCCO Amb9787112 [0,2,0,0,0,0|1,0,0]=3 1009 B13R0.336 CCCCSCCOCCOCCO Amb9786124 [0,2,0,0,0,0|1,0,0]=3 1010 B13R0.336 CCCOCCOCCCCCCCl Amb33620488 [0,2,0,0,0,0|1,0,0]=3 1011 B13R0.336 CNCCCCCCCCCCCO Amb32653434 [0,2,0,0,0,0|0,0,0]=2 1012 B13R0.336 COCCOCCOCCOCCO Amb8516801 [0,2,0,0,0,0|2,0,0]=4 1013 B13R0.336 ClCCCCCCCCCCCCCl Amb8514863 [0,2,0,0,0,0|1,0,0]=3 1014 B13R0.336 N#CCCCCCCCCCCCBr Amb31031008 [0,2,0,0,0,0|1,0,0]=3 1015 B13R0.336 NCCCCCCCCCCCCN Amb9786762 [0,2,0,0,0,0|1,0,0]=3 1016 B13R0.336 NCCCCCCCCCCCCO Amb17608041 [0,2,0,0,0,0|0,0,0]=2 1017 B13R0.336 NCCCCNCCCNCCCN Amb23399719 [0,2,0,0,0,0|2,0,0]=4 1018 B13R0.336 NCCCNCCCCNCCCN Amb33775743 [0,2,0,0,0,0|2,0,0]=4 1019 B13R0.336 NCCCNCCCCNCCCN Amb4025826 [0,2,0,0,0,0|2,0,0]=4 1020 B13R0.336 NCCCNCCCCNCCCN Amb6600028 [0,2,0,0,0,0|2,0,0]=4 1021 B13R0.336 NCCCOCCCCOCCCN Amb8393251 [0,2,0,0,0,0|2,0,0]=4 1022 B13R0.336 O=CCCCCCCCCCCC=O Amb33456151 [0,2,0,0,0,0|0,0,2]=4 1023 B13R0.336 OCCCCCCCCCCCCBr Amb2694964 [0,2,0,0,0,0|0,0,0]=2 1024 B13R0.336 OCCCCCCCCCCCCO Amb9787352 [0,2,0,0,0,0|0,0,0]=2 1025 B13R0.336 OCCCCCOCCCCCCCl Amb33719428 [0,2,0,0,0,0|0,0,0]=2 1026 B13R0.336 OCCOCCOCCCCCCCl Amb33719425 [0,2,0,0,0,0|1,0,0]=3 1027 B13R0.336 SCCCCCCCCCCCCBr Amb32663658 [0,2,0,0,0,0|0,1,0]=3 1028 B13R0.336 [N-]=[N+]=NCCCCCCCCCCN Amb34912554 [0,2,0,0,0,0|2,0,0]=4 1029 B13R0.336 [N-]=[N+]=NCCCCCCCCCCO Amb17608636 [0,2,0,0,0,0|1,0,0]=3 1030 B13R0.338 CCCCCC(C)NCCOCCO Amb6736310 [0,2,0,0,0,0|1,0,0]=3 1031 B13R0.338 CCCCCCCC(=O)NCCCN Amb7786424 [0,2,0,0,0,0|1,0,1]=4 1032 B13R0.338 CCCCCCCC(C)NCCCO Amb7795535 [0,2,0,0,0,0|0,0,0]=2 1033 B13R0.1 CCCCCCC(C)NCCC(C)O Amb33455973 [0,2,0,0,0,0|1,0,0]=3 1034 B13R0.188 CCCCCC(=O)CCCCC(=O)O Amb6305236 [0,2,0,0,0,0|0,0,2]=4 1035 B13R0.195 CCCCCC(C)NC(C)CCCO Amb33363333 [0,2,0,0,0,0|1,0,0]=3 1036 B13R0.1170 CCCCCCC(C)OCC(O)CCl Amb9786064 [0,2,0,0,0,0|2,0,0]=4 1037 B13R0.119 CCCCC(=O)CCCCCC(=O)O Amb6305233 [0,2,0,0,0,0|0,0,2]=4 1038 B13R0.154 CC(C)CCC(C)NCCOCCO Amb6736247 [0,2,0,0,0,0|2,0,0]=4 1039 B13R0.154 CCCCCCCC(C)NCC(C)O Amb9359358 [0,2,0,0,0,0|1,0,0]=3 1040 B13R0.154 CCCCCCCC(O)CCC(=O)[O-] Amb19148937 [0,2,0,0,0,0|0,0,2]=4 1041 B13R0.272 CCCCC(CC)NCCOCCO Amb33496395 [0,2,0,0,0,0|2,0,0]=4 1042 B13R0.274 CCCCCCCC(C)NC(C)CO Amb9359581 [0,2,0,0,0,0|1,0,0]=3 1043 B13R0.150 CCCCCCCCCC(=O)C(F)F Amb35744328 [0,2,0,0,0,0|1,0,1]=4 1044 B13R0.150 CCCCCCCCCC(C)C(=O)O Amb18320092 [0,2,0,0,0,0|0,0,1]=3 1045 B13R0.150 CCCCCCCCC[C@@H](N)C(=O)O Amb34139108 [0,2,0,0,0,0|0,0,1]=3 1046 B13R0.150 CCCCCCCCC[C@H](N)C(=O)O Amb34152043 [0,2,0,0,0,0|0,0,1]=3 1047 B13R0.179 CC(Br)CCCCCCCCC(=O)O Amb8487858 [0,2,0,0,0,0|0,0,1]=3 1048 B13R0.202 O=C(O)CCCCCCCC(F)CBr Amb22547613 [0,2,0,0,0,0|1,0,1]=4 1049 B13R0.280 CCCCCCCCCCC(C)(C)O Amb33330860 [0,2,0,0,0,0|0,0,0]=2 1050 B13R0.280 CCCCCCCCCCP(=O)(O)O Amb9786421 [0,2,0,0,0,0|1,0,0]=3 1051 B13R0.280 CCCCCCCCCCP(C)(C)=O Amb1239581 [0,2,0,0,0,0|1,0,1]=4 1052 B13R0.280 CCCCCCCCCCS(=O)(=O)Cl Amb8517441 [0,2,0,0,0,0|1,0,1]=4 1053 B13R0.280 CCCCCCCCCCS(=O)(=O)F Amb33352607 [0,2,0,0,0,0|1,0,1]=4 1054 B13R0.280 CCCCCCCCCCS(=O)(=O)[O-] Amb2686676 [0,2,0,0,0,0|1,0,1]=4 1055 B13R0.280 CCCCCCCCCCS(N)(=O)=O Amb9789393 [0,2,0,0,0,0|1,0,1]=4 1056 B13R0.280 CCCCCCCCCC[N+](C)(C)C Amb8383488 [0,2,0,0,0,0|2,0,0]=4 1057 B13R0.280 CCCCCCCCCC[N+](C)(C)C Amb8383489 [0,2,0,0,0,0|2,0,0]=4 1058 B13R0.280 CCCCCCCCCC[N+](C)(C)[O-] Amb22265088 [0,2,0,0,0,0|1,0,1]=4 1059 B13R0.280 CCCCCCCCCC[Si](C)(C)Cl Amb2686678 [0,2,0,0,0,0|1,1,0]=4 1060 B13R0.412 CCCCCCCCOC(CN)CO Amb32721465 [0,2,0,0,0,0|1,0,0]=3 1061 B13R0.1215 CCCCCCCCOC(C)(C)CBr Amb33348284 [0,2,0,0,0,0|2,0,0]=4 1062 B13R0.1215 CCCCCCCCOC(C)(C)CI Amb33348454 [0,2,0,0,0,0|2,0,0]=4 1063 B13R0.1215 CCCCCCCOCC(F)(F)CN Amb33171038 [0,2,0,0,0,0|2,0,0]=4 1064 B11R1.4 BrCCCCCC1CCCC1 Amb33005083 [1,0,0,1,0,0|1,0,0]=3 1065 B11R1.4 BrCCCCCC1CCCO1 Amb32688248 [1,0,0,1,0,0|1,0,0]=3 1066 B11R1.4 BrCCCCCC1CCOC1 Amb32690149 [1,0,0,1,0,0|2,0,0]=4 1067 B11R1.4 BrCCCCCC1OCCO1 Amb25893567 [1,0,0,1,0,0|2,0,0]=4 1068 B11R1.4 BrCCCCCN1CCCC1 Amb33005047 [1,0,0,1,0,0|2,0,0]=4 1069 B11R1.4 BrCCCCCN1CCCC1 Amb33624785 [1,0,0,1,0,0|2,0,0]=4 1070 B11R1.4 BrCCCCOC1CCCC1 Amb8855441 [1,0,0,1,0,0|2,0,0]=4 1071 B11R1.4 BrCCCOCC1CCCO1 Amb8828217 [1,0,0,1,0,0|2,0,0]=4 1072 B11R1.4 C#CCCCCC1CCCC1 Amb33380242 [1,0,0,1,0,0|0,0,2]=4 1073 B11R1.4 CCCCCCC1CCCN1 Amb2235790 [1,0,0,1,0,0|1,0,0]=3 1074 B11R1.4 CCCCCCC1CCCO1 Amb10558596 [1,0,0,1,0,0|0,0,0]=2 1075 B11R1.4 CCCCCNC1CCCC1 Amb6688081 [1,0,0,1,0,0|1,0,0]=3 1076 B11R1.4 CCCCNCC1CCCO1 Amb4313709 [1,0,0,1,0,0|1,0,0]=3 1077 B11R1.4 CCCCNCC1OCCO1 Amb28254562 [1,0,0,1,0,0|2,0,0]=4 1078 B11R1.4 CCCCOCC1CCCN1 Amb32430276 [1,0,0,1,0,0|2,0,0]=4 1079 B11R1.4 CCCNCCN1CCCC1 Amb6726096 [1,0,0,1,0,0|2,0,0]=4 1080 B11R1.4 CCNCCCN1CCCC1 Amb6727329 [1,0,0,1,0,0|2,0,0]=4 1081 B11R1.4 CNCCCCC1CCCC1 Amb33448409 [1,0,0,1,0,0|1,0,0]=3 1082 B11R1.4 CNCCCCN1CCCC1 Amb18179689 [1,0,0,1,0,0|2,0,0]=4 1083 B11R1.4 CNCCNCC1CCCO1 Amb18791963 [1,0,0,1,0,0|2,0,0]=4 1084 B11R1.4 COCCCNC1CCCC1 Amb6730167 [1,0,0,1,0,0|2,0,0]=4 1085 B11R1.4 COCCNCC1CCCO1 Amb9748864 [1,0,0,1,0,0|2,0,0]=4 1086 B11R1.4 CSCCCNC1CCCC1 Amb6719739 [1,0,0,1,0,0|2,0,0]=4 1087 B11R1.4 ClCCCCCC1CCCO1 Amb32688218 [1,0,0,1,0,0|1,0,0]=3 1088 B11R1.4 ClCCCCCC1CCOC1 Amb32690148 [1,0,0,1,0,0|2,0,0]=4 1089 B11R1.4 ClCCCCCC1OCCO1 Amb27853587 [1,0,0,1,0,0|2,0,0]=4 1090 B11R1.4 ClCCCCOC1CCCC1 Amb18184123 [1,0,0,1,0,0|2,0,0]=4 1091 B11R1.4 ClCCCNCC1CCCO1 Amb20414361 [1,0,0,1,0,0|2,0,0]=4 1092 B11R1.4 N#CCCCCC1CCCC1 Amb33374908 [1,0,0,1,0,0|1,0,1]=4 1093 B11R1.4 NCCCCCC1CCCC1 Amb18200303 [1,0,0,1,0,0|1,0,0]=3 1094 B11R1.4 NCCCCCN1CCCC1 Amb22728865 [1,0,0,1,0,0|2,0,0]=4 1095 B11R1.4 NCCCCCN1CCCC1 Amb5357881 [1,0,0,1,0,0|2,0,0]=4 1096 B11R1.4 NCCCNCC1CCCO1 Amb17315282 [1,0,0,1,0,0|2,0,0]=4 1097 B11R1.4 NCCCOCC1CCCC1 Amb18797162 [1,0,0,1,0,0|2,0,0]=4 1098 B11R1.4 NCCCOCC1CCCO1 Amb1154666 [1,0,0,1,0,0|2,0,0]=4 1099 B11R1.4 NCCOCCC1CCCC1 Amb33481730 [1,0,0,1,0,0|2,0,0]=4 1100 B11R1.4 NOCCCCC1CCCC1 Amb33374554 [1,0,0,1,0,0|2,0,0]=4 1101 B11R1.4 O=CCCCCC1CCCC1 Amb33358714 [1,0,0,1,0,0|0,0,2]=4 1102 B11R1.4 OCCCCCC1CCCC1 Amb33358865 [1,0,0,1,0,0|0,0,0]=2 1103 B11R1.4 OCCCCCN1CCCC1 Amb17334420 [1,0,0,1,0,0|1,0,0]=3 1104 B11R1.4 OCCCCOC1CCCO1 Amb22641876 [1,0,0,1,0,0|2,0,0]=4 1105 B11R1.4 OCCCNCC1CCCC1 Amb18177551 [1,0,0,1,0,0|1,0,0]=3 1106 B11R1.4 OCCCNCC1CCCO1 Amb9246597 [1,0,0,1,0,0|2,0,0]=4 1107 B11R1.4 OCCNCCN1CCCC1 Amb17318026 [1,0,0,1,0,0|2,0,0]=4 1108 B11R1.4 OCCOCCN1CCCC1 Amb18179905 [1,0,0,1,0,0|2,0,0]=4 1109 B11R1.4 OC\C=C\CCC1CCCC1 Amb33374516 [1,0,0,1,0,0|0,0,2]=4 1110 B11R1.4 SCCCCCC1CCCC1 Amb33379887 [1,0,0,1,0,0|0,1,0]=3 1111 B11R1.4 SCCCCCN1CCCC1 Amb32954137 [1,0,0,1,0,0|1,1,0]=4 1112 B11R1.4 [C-]#[N+]CCCCC1CCCC1 Amb33374569 [1,0,0,1,0,0|1,0,1]=4 1113 B11R1.5 C#CCC1CCCCCC1O Amb18182808 [1,0,0,1,0,0|0,0,2]=4 1114 B11R1.5 C#CC[C@@H]1CCCCC[C@H]1O Amb33213413 [1,0,0,1,0,0|0,0,2]=4 1115 B11R1.5 C=C1CCCCCC1CCO Amb27829924 [1,0,0,1,0,0|0,0,2]=4 1116 B11R1.5 C=CCC1CCCCCC1O Amb18182944 [1,0,0,1,0,0|0,0,2]=4 1117 B11R1.5 C=CC[C@@H]1CCCCC[C@H]1O Amb25968545 [1,0,0,1,0,0|0,0,2]=4 1118 B11R1.5 CC#CC1CCCCCC1O Amb27766623 [1,0,0,1,0,0|0,0,2]=4 1119 B11R1.5 CC#C[C@@H]1CCCCC[C@H]1O Amb28247123 [1,0,0,1,0,0|0,0,2]=4 1120 B11R1.5 CC1CCCCCC1CCN Amb27639026 [1,0,0,1,0,0|1,0,0]=3 1121 B11R1.5 CC1CCCCCN1CCF Amb28187917 [1,0,0,1,0,0|2,0,0]=4 1122 B11R1.5 CC1CCCCCN1CCI Amb27840345 [1,0,0,1,0,0|2,0,0]=4 1123 B11R1.5 CC1CCOCCN1CCO Amb27176803 [1,0,0,1,0,0|2,0,0]=4 1124 B11R1.5 CCCC1CCCCCC1Br Amb27809042 [1,0,0,1,0,0|1,0,0]=3 1125 B11R1.5 CCCC1CCCCCC1Cl Amb28291245 [1,0,0,1,0,0|1,0,0]=3 1126 B11R1.5 CCCC1CCCCCC1O Amb18799751 [1,0,0,1,0,0|0,0,0]=2 1127 B11R1.5 CCCC1CNCCCN1C Amb27240307 [1,0,0,1,0,0|2,0,0]=4 1128 B11R1.5 CCC[C@@H]1CCCCC[C@H]1O Amb24675468 [1,0,0,1,0,0|0,0,0]=2 1129 B11R1.5 CCOC1CCCCCC1Br Amb24418269 [1,0,0,1,0,0|2,0,0]=4 1130 B11R1.5 CCOC1CCCCCC1I Amb27590958 [1,0,0,1,0,0|2,0,0]=4 1131 B11R1.5 CCO[C@@H]1CCCCC[C@H]1N Amb33339088 [1,0,0,1,0,0|2,0,0]=4 1132 B11R1.5 CN1CCCCCC1CCN Amb27264633 [1,0,0,1,0,0|2,0,0]=4 1133 B11R1.5 CN1CCCCCC1CCO Amb28126475 [1,0,0,1,0,0|1,0,0]=3 1134 B11R1.5 CNCC1CCCCCN1C Amb27239773 [1,0,0,1,0,0|2,0,0]=4 1135 B11R1.5 COCC1CCCCCC1O Amb26871984 [1,0,0,1,0,0|1,0,0]=3 1136 B11R1.5 COC[C@@H]1CCCCC[C@H]1O Amb33213541 [1,0,0,1,0,0|1,0,0]=3 1137 B11R1.5 CONC1CCCCCC1C Amb35726892 [1,0,0,1,0,0|2,0,0]=4 1138 B11R1.5 C\C=C\C1CCCCCC1O Amb33213699 [1,0,0,1,0,0|0,0,2]=4 1139 B11R1.5 C\C=C\[C@@H]1CCCCC[C@H]1O Amb32950402 [1,0,0,1,0,0|0,0,2]=4 1140 B11R1.5 NCCC1CCCCCC1F Amb28199101 [1,0,0,1,0,0|2,0,0]=4 1141 B11R1.5 NCCC1CCCCCC1O Amb18199945 [1,0,0,1,0,0|1,0,0]=3 1142 B11R1.5 O=C1CCCCCC1CCO Amb27395084 [1,0,0,1,0,0|1,0,1]=4 1143 B11R1.5 OC1CCCCCC1CCF Amb28363868 [1,0,0,1,0,0|1,0,0]=3 1144 B11R1.17 C#CCCC1CCCCC1O Amb24574008 [1,0,0,1,0,0|0,0,2]=4 1145 B11R1.17 C#CCC[C@@H]1CCCC[C@H]1O Amb27218929 [1,0,0,1,0,0|0,0,2]=4 1146 B11R1.17 C=CCCC1CCCCC1O Amb25227048 [1,0,0,1,0,0|0,0,2]=4 1147 B11R1.17 C=CCC[C@@H]1CCCC[C@H]1O Amb27793096 [1,0,0,1,0,0|0,0,2]=4 1148 B11R1.17 CC#CCC1CCCCC1O Amb18181760 [1,0,0,1,0,0|0,0,2]=4 1149 B11R1.17 CC#CC[C@@H]1CCCC[C@H]1O Amb32945078 [1,0,0,1,0,0|0,0,2]=4 1150 B11R1.17 CC1=C(CCCO)CCCC1 Amb28194242 [1,0,0,1,0,0|0,0,2]=4 1151 B11R1.17 CC1CCCCC1CCCN Amb28135308 [1,0,0,1,0,0|1,0,0]=3 1152 B11R1.17 CC1CCCCC1NCCBr Amb28319772 [1,0,0,1,0,0|2,0,0]=4 1153 B11R1.17 CC1CCCCC1NCCF Amb27413393 [1,0,0,1,0,0|2,0,0]=4 1154 B11R1.17 CC1CCCCC1NCCO Amb6712645 [1,0,0,1,0,0|1,0,0]=3 1155 B11R1.17 CC1CCCCC1NCCS Amb28293920 [1,0,0,1,0,0|1,1,0]=4 1156 B11R1.17 CC1CCCCC1OCCBr Amb6255500 [1,0,0,1,0,0|2,0,0]=4 1157 B11R1.17 CC1CCCCC1OCCCl Amb8828472 [1,0,0,1,0,0|2,0,0]=4 1158 B11R1.17 CC1CCCCC1OCCN Amb9711437 [1,0,0,1,0,0|2,0,0]=4 1159 B11R1.17 CC1CCCCN1CCCCl Amb17335100 [1,0,0,1,0,0|2,0,0]=4 1160 B11R1.17 CC1CCCCN1CCCN Amb3939840 [1,0,0,1,0,0|2,0,0]=4 1161 B11R1.17 CC1CCCCN1CCCO Amb3939429 [1,0,0,1,0,0|1,0,0]=3 1162 B11R1.17 CC1CCCNC1CCCN Amb30007640 [1,0,0,1,0,0|2,0,0]=4 1163 B11R1.17 CC1CNCCC1OCCO Amb27163714 [1,0,0,1,0,0|2,0,0]=4 1164 B11R1.17 CC1CNCCN1CCCO Amb18300097 [1,0,0,1,0,0|2,0,0]=4 1165 B11R1.17 CC1COCCC1NCCO Amb27864834 [1,0,0,1,0,0|2,0,0]=4 1166 B11R1.17 CC1COCCN1CCCO Amb9404457 [1,0,0,1,0,0|2,0,0]=4 1167 B11R1.17 CC1NCCCC1CCCN Amb27389996 [1,0,0,1,0,0|2,0,0]=4 1168 B11R1.17 CCC#C[C@@H]1CCCC[C@H]1O Amb27422545 [1,0,0,1,0,0|0,0,2]=4 1169 B11R1.17 CCCCC1C=CCCC1O Amb27768426 [1,0,0,1,0,0|0,0,2]=4 1170 B11R1.17 CCCCC1CCC=CC1O Amb27472611 [1,0,0,1,0,0|0,0,2]=4 1171 B11R1.17 CCCCC1CCCCC1=O Amb3940594 [1,0,0,1,0,0|0,0,2]=4 1172 B11R1.17 CCCCC1CCCCC1C Amb24484363 [1,0,0,1,0,0|0,0,0]=2 1173 B11R1.17 CCCCC1CCCCC1O Amb3354798 [1,0,0,1,0,0|0,0,0]=2 1174 B11R1.17 CCCCC1CCCNC1C Amb25989636 [1,0,0,1,0,0|1,0,0]=3 1175 B11R1.17 CCCCC1CCNCC1C Amb25096286 [1,0,0,1,0,0|1,0,0]=3 1176 B11R1.17 CCCCC1CCNCC1N Amb24566143 [1,0,0,1,0,0|2,0,0]=4 1177 B11R1.17 CCCCC1CNCCC1C Amb26512801 [1,0,0,1,0,0|1,0,0]=3 1178 B11R1.17 CCCCC1CNCCC1N Amb24565409 [1,0,0,1,0,0|2,0,0]=4 1179 B11R1.17 CCCCC1CNCCN1C Amb33428429 [1,0,0,1,0,0|2,0,0]=4 1180 B11R1.17 CCCCC1COCCC1Br Amb27235549 [1,0,0,1,0,0|2,0,0]=4 1181 B11R1.17 CCCCC1NCCCC1C Amb25690783 [1,0,0,1,0,0|1,0,0]=3 1182 B11R1.17 CCCCC1NCCCC1N Amb33500836 [1,0,0,1,0,0|2,0,0]=4 1183 B11R1.17 CCCCC1NCCCC1O Amb27176604 [1,0,0,1,0,0|1,0,0]=3 1184 B11R1.17 CCCCC1OCCCC1O Amb27651657 [1,0,0,1,0,0|1,0,0]=3 1185 B11R1.17 CCCCN1CCNCC1C Amb17232192 [1,0,0,1,0,0|2,0,0]=4 1186 B11R1.17 CCCC[C@@H]1CCCC[C@@H]1O Amb25933579 [1,0,0,1,0,0|0,0,0]=2 1187 B11R1.17 CCCC[C@@H]1CCCC[C@H]1N Amb28457366 [1,0,0,1,0,0|1,0,0]=3 1188 B11R1.17 CCCC[C@@H]1CCCC[C@H]1O Amb26614644 [1,0,0,1,0,0|0,0,0]=2 1189 B11R1.17 CCCC[C@@H]1CCNC[C@H]1N Amb28385546 [1,0,0,1,0,0|2,0,0]=4 1190 B11R1.17 CCCC[C@@H]1NCCC[C@@H]1C Amb28400060 [1,0,0,1,0,0|1,0,0]=3 1191 B11R1.17 CCCC[C@@H]1NCCC[C@@H]1O Amb27965046 [1,0,0,1,0,0|1,0,0]=3 1192 B11R1.17 CCCC[C@@H]1OCCC[C@H]1O Amb27852842 [1,0,0,1,0,0|1,0,0]=3 1193 B11R1.17 CCCC[C@@H]1SCCO[C@H]1O Amb27431409 [1,0,0,1,0,0|2,0,0]=4 1194 B11R1.17 CCCC[C@@H]1SCCS[C@@H]1O Amb28205954 [1,0,0,1,0,0|2,0,0]=4 1195 B11R1.17 CCCC[C@H]1C=CCC[C@H]1O Amb27199462 [1,0,0,1,0,0|0,0,2]=4 1196 B11R1.17 CCCC[C@H]1NCCC[C@@H]1O Amb27213987 [1,0,0,1,0,0|1,0,0]=3 1197 B11R1.17 CCCNC1CCCCC1C Amb6261656 [1,0,0,1,0,0|1,0,0]=3 1198 B11R1.17 CCCNC1CCCCC1N Amb23559103 [1,0,0,1,0,0|2,0,0]=4 1199 B11R1.17 CCCNC1CCCCC1O Amb844924 [1,0,0,1,0,0|1,0,0]=3 1200 B11R1.17 CCCNC1CCCCC1S Amb18647769 [1,0,0,1,0,0|1,1,0]=4 1201 B11R1.17 CCCNC1CCNCC1C Amb28323977 [1,0,0,1,0,0|2,0,0]=4 1202 B11R1.17 CCCNC1CNCCC1O Amb32752212 [1,0,0,1,0,0|2,0,0]=4 1203 B11R1.17 CCCN[C@@H]1CCCC[C@@H]1O Amb23263413 [1,0,0,1,0,0|1,0,0]=3 1204 B11R1.17 CCCN[C@@H]1CCCC[C@H]1C Amb28051950 [1,0,0,1,0,0|1,0,0]=3 1205 B11R1.17 CCCN[C@@H]1CCCC[C@H]1O Amb10608055 [1,0,0,1,0,0|1,0,0]=3 1206 B11R1.17 CCCN[C@H]1CNCC[C@@H]1O Amb32657892 [1,0,0,1,0,0|2,0,0]=4 1207 B11R1.17 CCCOC1CCCCC1Br Amb26629820 [1,0,0,1,0,0|2,0,0]=4 1208 B11R1.17 CCCOC1CCCCC1Cl Amb27454968 [1,0,0,1,0,0|2,0,0]=4 1209 B11R1.17 CCCOC1CCCCC1I Amb25893297 [1,0,0,1,0,0|2,0,0]=4 1210 B11R1.17 CCCOC1CCCCC1O Amb18183283 [1,0,0,1,0,0|1,0,0]=3 1211 B11R1.17 CCCOC1CCNCC1C Amb28125245 [1,0,0,1,0,0|2,0,0]=4 1212 B11R1.17 CCCOC1CNCCC1C Amb27597188 [1,0,0,1,0,0|2,0,0]=4 1213 B11R1.17 CCCOC1COCCC1O Amb18183404 [1,0,0,1,0,0|2,0,0]=4 1214 B11R1.17 CCCO[C@@H]1CCCC[C@H]1N Amb33744134 [1,0,0,1,0,0|2,0,0]=4 1215 B11R1.17 CCCO[C@@H]1CCCC[C@H]1O Amb28319930 [1,0,0,1,0,0|1,0,0]=3 1216 B11R1.17 CCCS[C@@H]1CCCC[C@H]1O Amb25699949 [1,0,0,1,0,0|1,0,0]=3 1217 B11R1.17 CCCS[C@H]1CCCC[C@@H]1O Amb27822957 [1,0,0,1,0,0|1,0,0]=3 1218 B11R1.17 CCC\C=C1\CCCCC1C Amb24595530 [1,0,0,1,0,0|0,0,2]=4 1219 B11R1.17 CCC\C=C1\CCCC[C@@H]1O Amb27399799 [1,0,0,1,0,0|0,0,2]=4 1220 B11R1.17 CCC\N=C1/CCCCC1C Amb27951692 [1,0,0,1,0,0|1,0,1]=4 1221 B11R1.17 CCNCC1CCCCC1O Amb18644960 [1,0,0,1,0,0|1,0,0]=3 1222 B11R1.17 CCNCC1CCCOC1C Amb28064514 [1,0,0,1,0,0|2,0,0]=4 1223 B11R1.17 CCNCC1CNCCC1C Amb35640139 [1,0,0,1,0,0|2,0,0]=4 1224 B11R1.17 CCOCC1CCCCC1Cl Amb28289871 [1,0,0,1,0,0|2,0,0]=4 1225 B11R1.17 CCOCC1CCCCC1O Amb26996081 [1,0,0,1,0,0|1,0,0]=3 1226 B11R1.17 CCOC[C@@H]1CCCC[C@H]1O Amb26970539 [1,0,0,1,0,0|1,0,0]=3 1227 B11R1.17 CCON[C@H]1CCCC[C@@H]1O Amb27202962 [1,0,0,1,0,0|2,0,0]=4 1228 B11R1.17 CN1CCCCC1CCCBr Amb33434051 [1,0,0,1,0,0|2,0,0]=4 1229 B11R1.17 CN1CCCCC1CCCCl Amb27635346 [1,0,0,1,0,0|2,0,0]=4 1230 B11R1.17 CN1CCCCC1CCCN Amb18830694 [1,0,0,1,0,0|2,0,0]=4 1231 B11R1.17 CN1CCCCC1CCCO Amb25846934 [1,0,0,1,0,0|1,0,0]=3 1232 B11R1.17 CN1CCCCC1CCCS Amb33322431 [1,0,0,1,0,0|1,1,0]=4 1233 B11R1.17 CN1CCNCC1CCCO Amb27224199 [1,0,0,1,0,0|2,0,0]=4 1234 B11R1.17 CNCCC1CCCCC1F Amb28135872 [1,0,0,1,0,0|2,0,0]=4 1235 B11R1.17 CNCCC1CCCCC1N Amb27776146 [1,0,0,1,0,0|2,0,0]=4 1236 B11R1.17 CNCCC1CCCCC1O Amb28077324 [1,0,0,1,0,0|1,0,0]=3 1237 B11R1.17 CNCCC1CCCCN1C Amb18989162 [1,0,0,1,0,0|2,0,0]=4 1238 B11R1.17 CNCCN1CCCCC1C Amb9750162 [1,0,0,1,0,0|2,0,0]=4 1239 B11R1.17 COCCC1CCCCC1Cl Amb18808936 [1,0,0,1,0,0|2,0,0]=4 1240 B11R1.17 COCCC1CCCCN1C Amb2694557 [1,0,0,1,0,0|2,0,0]=4 1241 B11R1.17 COCCC1NCCCC1C Amb35731390 [1,0,0,1,0,0|2,0,0]=4 1242 B11R1.17 COCC[C@@H]1CCCC[C@@H]1O Amb27978371 [1,0,0,1,0,0|1,0,0]=3 1243 B11R1.17 COCC[C@@H]1CCCC[C@H]1O Amb27197114 [1,0,0,1,0,0|1,0,0]=3 1244 B11R1.17 CONCC1CCCCC1C Amb27406145 [1,0,0,1,0,0|2,0,0]=4 1245 B11R1.17 CONCC1CCCCC1O Amb27961309 [1,0,0,1,0,0|2,0,0]=4 1246 B11R1.17 CSCCC1COCCC1O Amb27235588 [1,0,0,1,0,0|2,0,0]=4 1247 B11R1.17 CSCCC1NCCCC1C Amb35670703 [1,0,0,1,0,0|2,0,0]=4 1248 B11R1.17 C[C@@H]1CCCCN1CCCN Amb25807782 [1,0,0,1,0,0|2,0,0]=4 1249 B11R1.17 C[C@@H]1CCCN[C@@H]1CCCN Amb35682241 [1,0,0,1,0,0|2,0,0]=4 1250 B11R1.17 C[C@@H]1CNCCN1CCCO Amb27799547 [1,0,0,1,0,0|2,0,0]=4 1251 B11R1.17 C[C@H]1CCCC[C@H]1OCCO Amb27220257 [1,0,0,1,0,0|1,0,0]=3 1252 B11R1.17 C[C@H]1CNCCN1CCCO Amb27799500 [1,0,0,1,0,0|2,0,0]=4 1253 B11R1.17 N#CCCC1CCCCC1O Amb18644585 [1,0,0,1,0,0|1,0,1]=4 1254 B11R1.17 N#CCC[C@H]1CCCC[C@H]1O Amb27267823 [1,0,0,1,0,0|1,0,1]=4 1255 B11R1.17 NC1CCCCC1OCCO Amb27602239 [1,0,0,1,0,0|2,0,0]=4 1256 B11R1.17 NCCCC1CCCCC1O Amb9783182 [1,0,0,1,0,0|1,0,0]=3 1257 B11R1.17 NCCC[C@@H]1CCCC[C@H]1O Amb27845404 [1,0,0,1,0,0|1,0,0]=3 1258 B11R1.17 NCCNC1CCCCC1O Amb18986527 [1,0,0,1,0,0|2,0,0]=4 1259 B11R1.17 NCCSC1CCCCC1O Amb18289483 [1,0,0,1,0,0|2,0,0]=4 1260 B11R1.17 N[C@@H]1CCCC[C@H]1NCCO Amb27659502 [1,0,0,1,0,0|2,0,0]=4 1261 B11R1.17 N[C@H]1CCCC[C@H]1CCCBr Amb27219876 [1,0,0,1,0,0|2,0,0]=4 1262 B11R1.17 O=C1CCCCC1CCCO Amb27481191 [1,0,0,1,0,0|1,0,1]=4 1263 B11R1.17 O=CCCC1CCCCC1O Amb27166081 [1,0,0,1,0,0|1,0,1]=4 1264 B11R1.17 OCCCC1CCCCC1O Amb27170228 [1,0,0,1,0,0|1,0,0]=3 1265 B11R1.17 OCCCC1CCCOC1O Amb28190299 [1,0,0,1,0,0|2,0,0]=4 1266 B11R1.17 OCCCC1NCCCC1O Amb27215493 [1,0,0,1,0,0|2,0,0]=4 1267 B11R1.17 OCCCC1OCCCC1O Amb28401058 [1,0,0,1,0,0|2,0,0]=4 1268 B11R1.17 OCCC[C@@H]1CCCC[C@H]1O Amb27448760 [1,0,0,1,0,0|1,0,0]=3 1269 B11R1.17 OCCC[C@@H]1OCCC[C@H]1O Amb27184259 [1,0,0,1,0,0|2,0,0]=4 1270 B11R1.17 OCCNC1CCCCC1O Amb18289319 [1,0,0,1,0,0|2,0,0]=4 1271 B11R1.17 OCCN[C@H]1CCCC[C@@H]1O Amb27421306 [1,0,0,1,0,0|2,0,0]=4 1272 B11R1.17 OCCO[C@@H]1CCCC[C@@H]1O Amb27257902 [1,0,0,1,0,0|2,0,0]=4 1273 B11R1.17 OCCO[C@@H]1CCCC[C@H]1O Amb27844349 [1,0,0,1,0,0|2,0,0]=4 1274 B11R1.17 O[C@@H]1CCCC[C@H]1NCCF Amb24532141 [1,0,0,1,0,0|2,0,0]=4 1275 B11R1.17 O[C@@H]1CCCC[C@H]1SCCS Amb27443233 [1,0,0,1,0,0|2,0,0]=4 1276 B11R1.17 O[C@H]1CCCC[C@@H]1NCCF Amb28423482 [1,0,0,1,0,0|2,0,0]=4 1277 B11R1.18 CCC1CCCC1NCCF Amb27987646 [1,0,0,1,0,0|2,0,0]=4 1278 B11R1.18 CCC1CCCN1CCCBr Amb27986411 [1,0,0,1,0,0|2,0,0]=4 1279 B11R1.18 CCC1CCCN1CCCCl Amb18790722 [1,0,0,1,0,0|2,0,0]=4 1280 B11R1.18 CCC1CCCN1CCCN Amb18304548 [1,0,0,1,0,0|2,0,0]=4 1281 B11R1.18 CCC1CCCN1CCCO Amb18179765 [1,0,0,1,0,0|1,0,0]=3 1282 B11R1.18 CCC1CCCN1CCNC Amb18312335 [1,0,0,1,0,0|2,0,0]=4 1283 B11R1.18 CCCCC1CCCC1CC Amb27674064 [1,0,0,1,0,0|0,0,0]=2 1284 B11R1.18 CCCCC1OCCC1CN Amb27987725 [1,0,0,1,0,0|2,0,0]=4 1285 B11R1.18 CCCCC1OCCC1CO Amb27987731 [1,0,0,1,0,0|1,0,0]=3 1286 B11R1.18 CCCCN1CCCC1CCl Amb27269158 [1,0,0,1,0,0|2,0,0]=4 1287 B11R1.18 CCCCN1CCCC1CN Amb6673981 [1,0,0,1,0,0|2,0,0]=4 1288 B11R1.18 CCCCN1CCCC1CO Amb18799841 [1,0,0,1,0,0|1,0,0]=3 1289 B11R1.18 CCCCN1CCC[C@@H]1CN Amb27818752 [1,0,0,1,0,0|2,0,0]=4 1290 B11R1.18 CCCCN1CCC[C@@H]1CO Amb27670885 [1,0,0,1,0,0|1,0,0]=3 1291 B11R1.18 CCCCN1CCC[C@H]1CN Amb27818751 [1,0,0,1,0,0|2,0,0]=4 1292 B11R1.18 CCCCN1CCC[C@H]1CO Amb27670884 [1,0,0,1,0,0|1,0,0]=3 1293 B11R1.18 CCCNC1CCCC1CCl Amb27492475 [1,0,0,1,0,0|2,0,0]=4 1294 B11R1.18 CCCNC1CCCC1CN Amb27271606 [1,0,0,1,0,0|2,0,0]=4 1295 B11R1.18 CCCNC1CCCC1CO Amb27269399 [1,0,0,1,0,0|1,0,0]=3 1296 B11R1.18 CCCNC1CCCC1OC Amb18799825 [1,0,0,1,0,0|2,0,0]=4 1297 B11R1.18 CCCNC1COCC1CO Amb27269991 [1,0,0,1,0,0|2,0,0]=4 1298 B11R1.18 CCCSC1CCCC1CN Amb9391524 [1,0,0,1,0,0|2,0,0]=4 1299 B11R1.18 CCCSC1CCCC1NC Amb27670962 [1,0,0,1,0,0|2,0,0]=4 1300 B11R1.18 CCN1CCCC1CCCBr Amb27670648 [1,0,0,1,0,0|2,0,0]=4 1301 B11R1.18 CCN1CCCC1CCCCl Amb27269167 [1,0,0,1,0,0|2,0,0]=4 1302 B11R1.18 CCNCC1CCCC1CN Amb27672028 [1,0,0,1,0,0|2,0,0]=4 1303 B11R1.18 CCNCC1CCCC1CO Amb27271612 [1,0,0,1,0,0|1,0,0]=3 1304 B11R1.18 CCNCC1CCCC1OC Amb28079937 [1,0,0,1,0,0|2,0,0]=4 1305 B11R1.18 CCNCC1CCCN1CC Amb33292441 [1,0,0,1,0,0|2,0,0]=4 1306 B11R1.18 CCNCC1CCCN1CC Amb33527559 [1,0,0,1,0,0|2,0,0]=4 1307 B11R1.18 CCNCC1CCOC1CC Amb27818692 [1,0,0,1,0,0|2,0,0]=4 1308 B11R1.18 CCOCC1CCCC1CN Amb27670426 [1,0,0,1,0,0|2,0,0]=4 1309 B11R1.18 CCOCC1CCCC1NC Amb27987807 [1,0,0,1,0,0|2,0,0]=4 1310 B11R1.18 CC\C=C\[C@@H]1CCC[C@H]1CO Amb27213810 [1,0,0,1,0,0|0,0,2]=4 1311 B11R1.18 CC\C=C\[C@H]1CCC[C@H]1CO Amb27451943 [1,0,0,1,0,0|0,0,2]=4 1312 B11R1.18 CNC1CCCC1CCCF Amb27988859 [1,0,0,1,0,0|2,0,0]=4 1313 B11R1.18 CNC1CCCC1CCSC Amb27671382 [1,0,0,1,0,0|2,0,0]=4 1314 B11R1.18 CNC1CCCC1SCCO Amb27670960 [1,0,0,1,0,0|2,0,0]=4 1315 B11R1.18 CNCCC1CCCC1OC Amb28079939 [1,0,0,1,0,0|2,0,0]=4 1316 B11R1.18 CNCCN1CCCC1CO Amb18177608 [1,0,0,1,0,0|2,0,0]=4 1317 B11R1.18 COC1CCCC1CCCBr Amb28079934 [1,0,0,1,0,0|2,0,0]=4 1318 B11R1.18 COC1CCCC1CCCCl Amb28079933 [1,0,0,1,0,0|2,0,0]=4 1319 B11R1.18 COC1CCCC1CCCN Amb28079940 [1,0,0,1,0,0|2,0,0]=4 1320 B11R1.18 COC1CCCC1CCCO Amb28079932 [1,0,0,1,0,0|1,0,0]=3 1321 B11R1.18 COC1CCCC1SCCO Amb28079945 [1,0,0,1,0,0|2,0,0]=4 1322 B11R1.18 COCCN1CCCC1CO Amb18800135 [1,0,0,1,0,0|2,0,0]=4 1323 B11R1.18 COCCN1CCC[C@@H]1CO Amb27670887 [1,0,0,1,0,0|2,0,0]=4 1324 B11R1.18 COCCN1CCC[C@H]1CO Amb27670883 [1,0,0,1,0,0|2,0,0]=4 1325 B11R1.18 CSCCC1CCCC1CN Amb27986374 [1,0,0,1,0,0|2,0,0]=4 1326 B11R1.18 CSCCN1CCCC1CO Amb28387170 [1,0,0,1,0,0|2,0,0]=4 1327 B11R1.18 CSCCN1CCC[C@H]1CO Amb28387175 [1,0,0,1,0,0|2,0,0]=4 1328 B11R1.18 NCC1CCCC1NCCO Amb27271608 [1,0,0,1,0,0|2,0,0]=4 1329 B11R1.18 NCC1CCCN1CCCO Amb26996990 [1,0,0,1,0,0|2,0,0]=4 1330 B11R1.18 NCCCN1CCCC1CO Amb5492112 [1,0,0,1,0,0|2,0,0]=4 1331 B11R1.18 NCCNC1CCCC1CO Amb27492473 [1,0,0,1,0,0|2,0,0]=4 1332 B11R1.18 OCC1CCCC1NCCF Amb27492474 [1,0,0,1,0,0|2,0,0]=4 1333 B11R1.18 OCC1CCCN1CCCBr Amb27269536 [1,0,0,1,0,0|2,0,0]=4 1334 B11R1.18 OCC1CCCN1CCCCl Amb18790913 [1,0,0,1,0,0|2,0,0]=4 1335 B11R1.18 OCCCN1CCCC1CO Amb18177646 [1,0,0,1,0,0|2,0,0]=4 1336 B11R1.18 OCCCN1CCC[C@@H]1CO Amb27670880 [1,0,0,1,0,0|2,0,0]=4 1337 B11R1.18 OCCCN1CCC[C@H]1CO Amb27670882 [1,0,0,1,0,0|2,0,0]=4 1338 B11R1.18 OCCC[C@H]1CCC[C@H]1CO Amb27989722 [1,0,0,1,0,0|1,0,0]=3 1339 B11R1.18 OCCNC1CCCC1CO Amb27492477 [1,0,0,1,0,0|2,0,0]=4 1340 B11R1.18 OC[C@H]1CCCN1CCCI Amb27818447 [1,0,0,1,0,0|2,0,0]=4 1341 B11R1.26 C#CC1CCCCCCC1O Amb28065903 [1,0,0,1,0,0|0,0,2]=4 1342 B11R1.26 C#C[C@@H]1CCCCCC[C@H]1O Amb27422664 [1,0,0,1,0,0|0,0,2]=4 1343 B11R1.26 C=C1CCCCCCC1CO Amb27765896 [1,0,0,1,0,0|0,0,2]=4 1344 B11R1.26 CC1=C(CO)CCCCCC1 Amb28127966 [1,0,0,1,0,0|0,0,2]=4 1345 B11R1.26 CCC1CCCCCCC1=O Amb28284886 [1,0,0,1,0,0|0,0,2]=4 1346 B11R1.26 CCC1CCCCCCC1O Amb28342347 [1,0,0,1,0,0|0,0,0]=2 1347 B11R1.26 CC[C@@H]1C=CCCCC[C@H]1O Amb25332502 [1,0,0,1,0,0|0,0,2]=4 1348 B11R1.26 CC[C@@H]1CCCCCC[C@H]1O Amb25931014 [1,0,0,1,0,0|0,0,0]=2 1349 B11R1.26 COC1CCCCCCC1Br Amb27480443 [1,0,0,1,0,0|2,0,0]=4 1350 B11R1.26 COC1CCCCCCC1Cl Amb27232713 [1,0,0,1,0,0|2,0,0]=4 1351 B11R1.26 COC1CCCCCCC1F Amb25309265 [1,0,0,1,0,0|2,0,0]=4 1352 B11R1.26 COC1CCCCCCC1I Amb25693588 [1,0,0,1,0,0|2,0,0]=4 1353 B11R1.26 N#C[C@@H]1CCCCCC[C@H]1O Amb27422329 [1,0,0,1,0,0|1,0,1]=4 1354 B11R1.26 NC1CCCCCCC1CO Amb27798202 [1,0,0,1,0,0|1,0,0]=3 1355 B11R1.26 NCC1CCCCCCC1O Amb26386383 [1,0,0,1,0,0|1,0,0]=3 1356 B11R1.26 OCC1CCCCCCC1O Amb26612870 [1,0,0,1,0,0|1,0,0]=3 1357 B11R1.26 OC[C@H]1CCCCCC[C@@H]1O Amb28292208 [1,0,0,1,0,0|1,0,0]=3 1358 B11R1.26 [C-]#[N+][C@@H]1CCCCCC[C@H]1O Amb28345315 [1,0,0,1,0,0|1,0,1]=4 1359 B11R1.26 [C-]#[N+][C@H]1CCCCCC[C@@H]1O Amb28455682 [1,0,0,1,0,0|1,0,1]=4 1360 B11R1.28 BrCCCCC1CCCCC1 Amb21937167 [1,0,0,1,0,0|1,0,0]=3 1361 B11R1.28 BrCCCCC1CCCCO1 Amb32690655 [1,0,0,1,0,0|1,0,0]=3 1362 B11R1.28 BrCCCCC1CCNCC1 Amb10602362 [1,0,0,1,0,0|2,0,0]=4 1363 B11R1.28 BrCCCCC1CCOCC1 Amb26651654 [1,0,0,1,0,0|2,0,0]=4 1364 B11R1.28 BrCCCCN1CCCCC1 Amb27986415 [1,0,0,1,0,0|2,0,0]=4 1365 B11R1.28 BrCCCCN1CCCCC1 Amb33624630 [1,0,0,1,0,0|2,0,0]=4 1366 B11R1.28 BrCCCOC1CCCCC1 Amb8828202 [1,0,0,1,0,0|2,0,0]=4 1367 B11R1.28 BrCCCOC1CCCCO1 Amb2779897 [1,0,0,1,0,0|2,0,0]=4 1368 B11R1.28 BrCCOCC1CCCCO1 Amb9717598 [1,0,0,1,0,0|2,0,0]=4 1369 B11R1.28 C#CCCCC1CCCCC1 Amb24062905 [1,0,0,1,0,0|0,0,2]=4 1370 B11R1.28 C=CCCCC1CCCCC1 Amb24117204 [1,0,0,1,0,0|0,0,2]=4 1371 B11R1.28 CCCCCC1CCCCC1 Amb4035883 [1,0,0,1,0,0|0,0,0]=2 1372 B11R1.28 CCCCCC1CCCCN1 Amb35745661 [1,0,0,1,0,0|1,0,0]=3 1373 B11R1.28 CCCCCC1CCCCN1 Amb3788144 [1,0,0,1,0,0|1,0,0]=3 1374 B11R1.28 CCCCCC1CCCNC1 Amb22642855 [1,0,0,1,0,0|1,0,0]=3 1375 B11R1.28 CCCCCC1CCCNC1 Amb35745623 [1,0,0,1,0,0|1,0,0]=3 1376 B11R1.28 CCCCCC1CCNCC1 Amb3933573 [1,0,0,1,0,0|1,0,0]=3 1377 B11R1.28 CCCCCC1CCOCO1 Amb27673274 [1,0,0,1,0,0|1,0,0]=3 1378 B11R1.28 CCCCCC1CNCCN1 Amb26659400 [1,0,0,1,0,0|2,0,0]=4 1379 B11R1.28 CCCCCC1COCCN1 Amb27673037 [1,0,0,1,0,0|2,0,0]=4 1380 B11R1.28 CCCCCC1NCCCS1 Amb27271116 [1,0,0,1,0,0|1,1,0]=4 1381 B11R1.28 CCCCCN1CCCCC1 Amb10573561 [1,0,0,1,0,0|1,0,0]=3 1382 B11R1.28 CCCCCN1CCCCN1 Amb27671793 [1,0,0,1,0,0|2,0,0]=4 1383 B11R1.28 CCCCCN1CCNCC1 Amb1995334 [1,0,0,1,0,0|2,0,0]=4 1384 B11R1.28 CCCCCN1CCOCC1 Amb10567809 [1,0,0,1,0,0|2,0,0]=4 1385 B11R1.28 CCCCNC1CCCCC1 Amb33548377 [1,0,0,1,0,0|1,0,0]=3 1386 B11R1.28 CCCCNC1CCCCC1 Amb4313711 [1,0,0,1,0,0|1,0,0]=3 1387 B11R1.28 CCCCNC1CCCSC1 Amb18315275 [1,0,0,1,0,0|2,0,0]=4 1388 B11R1.28 CCCCNC1CCOCC1 Amb9472358 [1,0,0,1,0,0|2,0,0]=4 1389 B11R1.28 CCCCNC1CCSCC1 Amb9248926 [1,0,0,1,0,0|2,0,0]=4 1390 B11R1.28 CCCCOC1CCCCO1 Amb33856103 [1,0,0,1,0,0|1,0,0]=3 1391 B11R1.28 CCCCOC1CCCNC1 Amb6701469 [1,0,0,1,0,0|2,0,0]=4 1392 B11R1.28 CCCCOC1CCNCC1 Amb8999400 [1,0,0,1,0,0|2,0,0]=4 1393 B11R1.28 CCCCO[C@H]1CCCNC1 Amb27492036 [1,0,0,1,0,0|2,0,0]=4 1394 B11R1.28 CCCCSC1CCCCC1 Amb17672783 [1,0,0,1,0,0|1,0,0]=3 1395 B11R1.28 CCCCSC1CCCNC1 Amb18803882 [1,0,0,1,0,0|2,0,0]=4 1396 B11R1.28 CCCNCC1CCCCC1 Amb1042518 [1,0,0,1,0,0|1,0,0]=3 1397 B11R1.28 CCCNCC1CCCCC1 Amb2119490 [1,0,0,1,0,0|1,0,0]=3 1398 B11R1.28 CCCNCC1CCCCO1 Amb9258727 [1,0,0,1,0,0|1,0,0]=3 1399 B11R1.28 CCCNCC1CCCNC1 Amb17232186 [1,0,0,1,0,0|2,0,0]=4 1400 B11R1.28 CCCNCC1CCCOC1 Amb19008394 [1,0,0,1,0,0|2,0,0]=4 1401 B11R1.28 CCCNCC1CCNCC1 Amb17232180 [1,0,0,1,0,0|2,0,0]=4 1402 B11R1.28 CCCNCC1CSCCO1 Amb27987904 [1,0,0,1,0,0|2,0,0]=4 1403 B11R1.28 CCCOCC1CCCCN1 Amb18797153 [1,0,0,1,0,0|2,0,0]=4 1404 B11R1.28 CCCOCC1CCCNC1 Amb18797152 [1,0,0,1,0,0|2,0,0]=4 1405 B11R1.28 CCCOCC1CCNCC1 Amb2171583 [1,0,0,1,0,0|2,0,0]=4 1406 B11R1.28 CCCOCC1CCNCC1 Amb927942 [1,0,0,1,0,0|2,0,0]=4 1407 B11R1.28 CCCOCC1CNCCO1 Amb27266713 [1,0,0,1,0,0|2,0,0]=4 1408 B11R1.28 CCCSCC1CCCCN1 Amb18803880 [1,0,0,1,0,0|2,0,0]=4 1409 B11R1.28 CCCSCC1CCCNC1 Amb18183806 [1,0,0,1,0,0|2,0,0]=4 1410 B11R1.28 CCCSCC1CNCCO1 Amb27266710 [1,0,0,1,0,0|2,0,0]=4 1411 B11R1.28 CCC\C=C\C1CCCCC1 Amb27491636 [1,0,0,1,0,0|0,0,2]=4 1412 B11R1.28 CCNCCC1CCCCC1 Amb8853691 [1,0,0,1,0,0|1,0,0]=3 1413 B11R1.28 CCNCCC1CCCCO1 Amb18312531 [1,0,0,1,0,0|1,0,0]=3 1414 B11R1.28 CCNCCC1CCCNC1 Amb18313379 [1,0,0,1,0,0|2,0,0]=4 1415 B11R1.28 CCNCCC1CCCOC1 Amb22411363 [1,0,0,1,0,0|2,0,0]=4 1416 B11R1.28 CCNCCC1CCNCC1 Amb18305123 [1,0,0,1,0,0|2,0,0]=4 1417 B11R1.28 CCNCCC1CCOCC1 Amb19025192 [1,0,0,1,0,0|2,0,0]=4 1418 B11R1.28 CCNCCC1CNCCO1 Amb27271424 [1,0,0,1,0,0|2,0,0]=4 1419 B11R1.28 CCNCCN1CCCCC1 Amb13949073 [1,0,0,1,0,0|2,0,0]=4 1420 B11R1.28 CCNCCN1CCCCC1 Amb5493960 [1,0,0,1,0,0|2,0,0]=4 1421 B11R1.28 CCOCCC1CCCCN1 Amb17773408 [1,0,0,1,0,0|2,0,0]=4 1422 B11R1.28 CCOCCC1CCCNC1 Amb19020994 [1,0,0,1,0,0|2,0,0]=4 1423 B11R1.28 CCOCCC1CCNCC1 Amb7807278 [1,0,0,1,0,0|2,0,0]=4 1424 B11R1.28 CCOCCN1CCCCC1 Amb28256457 [1,0,0,1,0,0|2,0,0]=4 1425 B11R1.28 CCONCC1CCCCC1 Amb33546587 [1,0,0,1,0,0|2,0,0]=4 1426 B11R1.28 CCONCC1CCCCO1 Amb27987584 [1,0,0,1,0,0|2,0,0]=4 1427 B11R1.28 CCSCCC1CCCCN1 Amb17503513 [1,0,0,1,0,0|2,0,0]=4 1428 B11R1.28 CCSCCC1CCCCN1 Amb35745722 [1,0,0,1,0,0|2,0,0]=4 1429 B11R1.28 CCSCCC1CCCNC1 Amb18308556 [1,0,0,1,0,0|2,0,0]=4 1430 B11R1.28 CCSCCC1CCNCC1 Amb22395684 [1,0,0,1,0,0|2,0,0]=4 1431 B11R1.28 CCSCCC1CCNCC1 Amb35745760 [1,0,0,1,0,0|2,0,0]=4 1432 B11R1.28 CCSCCN1CCCCC1 Amb28077788 [1,0,0,1,0,0|2,0,0]=4 1433 B11R1.28 CCSCCN1CCCCO1 Amb27987452 [1,0,0,1,0,0|2,0,0]=4 1434 B11R1.28 CNCCCC1CCCCC1 Amb8853671 [1,0,0,1,0,0|1,0,0]=3 1435 B11R1.28 CNCCCC1CCCCN1 Amb18799769 [1,0,0,1,0,0|2,0,0]=4 1436 B11R1.28 CNCCCC1CCCCO1 Amb27266780 [1,0,0,1,0,0|1,0,0]=3 1437 B11R1.28 CNCCCC1CCCNC1 Amb18182155 [1,0,0,1,0,0|2,0,0]=4 1438 B11R1.28 CNCCCC1CCCOC1 Amb27989561 [1,0,0,1,0,0|2,0,0]=4 1439 B11R1.28 CNCCCC1CCNCC1 Amb18799768 [1,0,0,1,0,0|2,0,0]=4 1440 B11R1.28 CNCCCC1CNCCO1 Amb27674414 [1,0,0,1,0,0|2,0,0]=4 1441 B11R1.28 CNCCCN1CCCCC1 Amb5380409 [1,0,0,1,0,0|2,0,0]=4 1442 B11R1.28 CNCCSC1CCCCC1 Amb19024678 [1,0,0,1,0,0|2,0,0]=4 1443 B11R1.28 COCCCC1CCCCN1 Amb4304397 [1,0,0,1,0,0|2,0,0]=4 1444 B11R1.28 COCCCC1CCCNC1 Amb4304398 [1,0,0,1,0,0|2,0,0]=4 1445 B11R1.28 COCCCC1CCNCC1 Amb10607554 [1,0,0,1,0,0|2,0,0]=4 1446 B11R1.28 COCCCC1CNCCO1 Amb27989406 [1,0,0,1,0,0|2,0,0]=4 1447 B11R1.28 COCCCN1CCCCC1 Amb17232232 [1,0,0,1,0,0|2,0,0]=4 1448 B11R1.28 COCCNC1CCCCC1 Amb6685736 [1,0,0,1,0,0|2,0,0]=4 1449 B11R1.28 CSCCCC1CCCCN1 Amb27271775 [1,0,0,1,0,0|2,0,0]=4 1450 B11R1.28 CSCCCC1CCCNC1 Amb26076166 [1,0,0,1,0,0|2,0,0]=4 1451 B11R1.28 CSCCCC1CCNCC1 Amb27818855 [1,0,0,1,0,0|2,0,0]=4 1452 B11R1.28 CSCCCC1CCOCC1 Amb27271832 [1,0,0,1,0,0|2,0,0]=4 1453 B11R1.28 CSCCCN1CCCCC1 Amb28078020 [1,0,0,1,0,0|2,0,0]=4 1454 B11R1.28 CSCCOC1CCCCO1 Amb27988038 [1,0,0,1,0,0|2,0,0]=4 1455 B11R1.28 CSCCSC1CCCCC1 Amb27988067 [1,0,0,1,0,0|2,0,0]=4 1456 B11R1.28 C[NH2+]CCCC1CCCCC1 Amb20648432 [1,0,0,1,0,0|1,0,0]=3 1457 B11R1.28 ClCCCCC1CCCCC1 Amb26076997 [1,0,0,1,0,0|1,0,0]=3 1458 B11R1.28 ClCCCCC1CCCCO1 Amb32690653 [1,0,0,1,0,0|1,0,0]=3 1459 B11R1.28 ClCCCCC1CCOCC1 Amb26076983 [1,0,0,1,0,0|2,0,0]=4 1460 B11R1.28 ClCCCCN1CCCCC1 Amb17335097 [1,0,0,1,0,0|2,0,0]=4 1461 B11R1.28 ClCCCNC1CCCCC1 Amb27990124 [1,0,0,1,0,0|2,0,0]=4 1462 B11R1.28 ClCCCOC1CCCCC1 Amb6255056 [1,0,0,1,0,0|2,0,0]=4 1463 B11R1.28 ClCCCSC1CCCCO1 Amb27990061 [1,0,0,1,0,0|2,0,0]=4 1464 B11R1.28 ClCCNCC1CCCCO1 Amb27670548 [1,0,0,1,0,0|2,0,0]=4 1465 B11R1.28 ClCCSCC1CCCCC1 Amb27492366 [1,0,0,1,0,0|2,0,0]=4 1466 B11R1.28 ClCCSCC1CCCCO1 Amb27492348 [1,0,0,1,0,0|2,0,0]=4 1467 B11R1.28 ClCOCCC1CCCCC1 Amb27990056 [1,0,0,1,0,0|2,0,0]=4 1468 B11R1.28 FCCCCN1CCCCC1 Amb27672958 [1,0,0,1,0,0|2,0,0]=4 1469 B11R1.28 FCCCSC1CCCCC1 Amb27989077 [1,0,0,1,0,0|2,0,0]=4 1470 B11R1.28 FCCSCC1CCCCC1 Amb27271862 [1,0,0,1,0,0|2,0,0]=4 1471 B11R1.28 ICCCCC1CCCCC1 Amb32411024 [1,0,0,1,0,0|1,0,0]=3 1472 B11R1.28 ICCCOC1CCCCO1 Amb24761942 [1,0,0,1,0,0|2,0,0]=4 1473 B11R1.28 N#CCCCC1CCCCC1 Amb4035890 [1,0,0,1,0,0|1,0,1]=4 1474 B11R1.28 N#CCCCC1CCCCO1 Amb35647727 [1,0,0,1,0,0|1,0,1]=4 1475 B11R1.28 NCCCCC1CCCCC1 Amb17570025 [1,0,0,1,0,0|1,0,0]=3 1476 B11R1.28 NCCCCC1CCCCN1 Amb27272282 [1,0,0,1,0,0|2,0,0]=4 1477 B11R1.28 NCCCCC1CCCCO1 Amb33377397 [1,0,0,1,0,0|1,0,0]=3 1478 B11R1.28 NCCCCC1CCCOC1 Amb26653352 [1,0,0,1,0,0|2,0,0]=4 1479 B11R1.28 NCCCCC1CCCSC1 Amb26076936 [1,0,0,1,0,0|2,0,0]=4 1480 B11R1.28 NCCCCC1CCNCC1 Amb10071400 [1,0,0,1,0,0|2,0,0]=4 1481 B11R1.28 NCCCCC1CCOCC1 Amb26653417 [1,0,0,1,0,0|2,0,0]=4 1482 B11R1.28 NCCCCN1CCCCC1 Amb1094595 [1,0,0,1,0,0|2,0,0]=4 1483 B11R1.28 NCCCNC1CCCCC1 Amb3940354 [1,0,0,1,0,0|2,0,0]=4 1484 B11R1.28 NCCCOC1CCCCC1 Amb1154583 [1,0,0,1,0,0|2,0,0]=4 1485 B11R1.28 NCCCOC1CCCCO1 Amb28388105 [1,0,0,1,0,0|2,0,0]=4 1486 B11R1.28 NCCCSC1CCCCC1 Amb10608281 [1,0,0,1,0,0|2,0,0]=4 1487 B11R1.28 NCCCSC1CCCCC1 Amb21984186 [1,0,0,1,0,0|2,0,0]=4 1488 B11R1.28 NCCNCC1CCCCO1 Amb19014581 [1,0,0,1,0,0|2,0,0]=4 1489 B11R1.28 NCCOCC1CCCCC1 Amb19033755 [1,0,0,1,0,0|2,0,0]=4 1490 B11R1.28 NNCCCC1CCCCC1 Amb6248425 [1,0,0,1,0,0|2,0,0]=4 1491 B11R1.28 NNCCCC1CCCCO1 Amb27266779 [1,0,0,1,0,0|2,0,0]=4 1492 B11R1.28 NOCCCC1CCCCC1 Amb33422787 [1,0,0,1,0,0|2,0,0]=4 1493 B11R1.28 O=CCCCC1CCCCC1 Amb26998071 [1,0,0,1,0,0|0,0,2]=4 1494 B11R1.28 O=CCCCC1CCCCO1 Amb25385814 [1,0,0,1,0,0|1,0,1]=4 1495 B11R1.28 OCCCCC1=CCCCC1 Amb4477238 [1,0,0,1,0,0|0,0,2]=4 1496 B11R1.28 OCCCCC1CCCCC1 Amb3939108 [1,0,0,1,0,0|0,0,0]=2 1497 B11R1.28 OCCCCC1CCCCN1 Amb22749320 [1,0,0,1,0,0|1,0,0]=3 1498 B11R1.28 OCCCCC1CCCCO1 Amb26658869 [1,0,0,1,0,0|1,0,0]=3 1499 B11R1.28 OCCCCC1CCCNC1 Amb22749319 [1,0,0,1,0,0|1,0,0]=3 1500 B11R1.28 OCCCCC1CCNCC1 Amb21858465 [1,0,0,1,0,0|1,0,0]=3 1501 B11R1.28 OCCCCC1CCNCC1 Amb21858466 [1,0,0,1,0,0|1,0,0]=3 1502 B11R1.28 OCCCCC1CCOCC1 Amb24750759 [1,0,0,1,0,0|1,0,0]=3 1503 B11R1.28 OCCCCC1OCCCO1 Amb28080065 [1,0,0,1,0,0|2,0,0]=4 1504 B11R1.28 OCCCCN1CCCCC1 Amb3204765 [1,0,0,1,0,0|1,0,0]=3 1505 B11R1.28 OCCCCN1CCCCN1 Amb27671796 [1,0,0,1,0,0|2,0,0]=4 1506 B11R1.28 OCCCCN1CCNCC1 Amb6466963 [1,0,0,1,0,0|2,0,0]=4 1507 B11R1.28 OCCCCN1CCNCC1 Amb9171389 [1,0,0,1,0,0|2,0,0]=4 1508 B11R1.28 OCCCCN1CCOCC1 Amb3204764 [1,0,0,1,0,0|2,0,0]=4 1509 B11R1.28 OCCCNC1CCCCC1 Amb35750445 [1,0,0,1,0,0|1,0,0]=3 1510 B11R1.28 OCCCNC1CCCCC1 Amb6733735 [1,0,0,1,0,0|1,0,0]=3 1511 B11R1.28 OCCCNC1CCCOC1 Amb27492634 [1,0,0,1,0,0|2,0,0]=4 1512 B11R1.28 OCCCNC1CCCSC1 Amb18315273 [1,0,0,1,0,0|2,0,0]=4 1513 B11R1.28 OCCCNC1CCSCC1 Amb9248925 [1,0,0,1,0,0|2,0,0]=4 1514 B11R1.28 OCCCNN1CCCCC1 Amb27492270 [1,0,0,1,0,0|2,0,0]=4 1515 B11R1.28 OCCCOC1CCCCC1 Amb6893051 [1,0,0,1,0,0|1,0,0]=3 1516 B11R1.28 OCCCOC1CCCOC1 Amb27989495 [1,0,0,1,0,0|2,0,0]=4 1517 B11R1.28 OCCCOC1CCNCC1 Amb9213034 [1,0,0,1,0,0|2,0,0]=4 1518 B11R1.28 OCCCPC1CCCCC1 Amb27989607 [1,0,0,1,0,0|1,0,0]=3 1519 B11R1.28 OCCCSC1CCCNC1 Amb27269747 [1,0,0,1,0,0|2,0,0]=4 1520 B11R1.28 OCCCSC1CCCOC1 Amb27989565 [1,0,0,1,0,0|2,0,0]=4 1521 B11R1.28 OCCCSC1CCOCC1 Amb18178321 [1,0,0,1,0,0|2,0,0]=4 1522 B11R1.28 OCCNCC1CCCCC1 Amb9203178 [1,0,0,1,0,0|1,0,0]=3 1523 B11R1.28 OCCNOC1CCCCC1 Amb28080023 [1,0,0,1,0,0|2,0,0]=4 1524 B11R1.28 OCCOCC1CCCCO1 Amb18800345 [1,0,0,1,0,0|2,0,0]=4 1525 B11R1.28 OCCOCC1CCCNC1 Amb6681863 [1,0,0,1,0,0|2,0,0]=4 1526 B11R1.28 OCCOCC1CCNCC1 Amb34185689 [1,0,0,1,0,0|2,0,0]=4 1527 B11R1.28 OCCOCC1CCNCC1 Amb6681862 [1,0,0,1,0,0|2,0,0]=4 1528 B11R1.28 OCCSCC1CCCCN1 Amb18184000 [1,0,0,1,0,0|2,0,0]=4 1529 B11R1.28 OCCSCC1CCCNC1 Amb18183999 [1,0,0,1,0,0|2,0,0]=4 1530 B11R1.28 OCCSCC1CCCOC1 Amb27271905 [1,0,0,1,0,0|2,0,0]=4 1531 B11R1.28 OCCSCC1CCOCC1 Amb18804596 [1,0,0,1,0,0|2,0,0]=4 1532 B11R1.28 OCC\C=C\C1CCCCC1 Amb26429123 [1,0,0,1,0,0|0,0,2]=4 1533 B11R1.28 OC\C=C\CC1CCCCC1 Amb33359221 [1,0,0,1,0,0|0,0,2]=4 1534 B11R1.28 O\N=C\CCC1CCCCC1 Amb27442803 [1,0,0,1,0,0|1,0,1]=4 1535 B11R1.28 SCCCCC1CCCCC1 Amb33422122 [1,0,0,1,0,0|0,1,0]=3 1536 B11R1.28 SCCCCC1CCOCC1 Amb27670740 [1,0,0,1,0,0|1,1,0]=4 1537 B11R1.28 SCCCOC1CCCCO1 Amb27990336 [1,0,0,1,0,0|2,0,0]=4 1538 B11R1.28 [C-]#[N+]CCCC1CCCCC1 Amb26448941 [1,0,0,1,0,0|1,0,1]=4 1539 B11R1.41 CCC1CCCCC1CCBr Amb28186141 [1,0,0,1,0,0|1,0,0]=3 1540 B11R1.41 CCC1CCCCC1CCO Amb28186835 [1,0,0,1,0,0|0,0,0]=2 1541 B11R1.41 CCC1CCCCC1NOC Amb27464264 [1,0,0,1,0,0|2,0,0]=4 1542 B11R1.41 CCC1CCCCC1OCCl Amb27945645 [1,0,0,1,0,0|2,0,0]=4 1543 B11R1.41 CCC1CCCCN1CCCl Amb17335102 [1,0,0,1,0,0|2,0,0]=4 1544 B11R1.41 CCC1CCCCN1CCN Amb9763887 [1,0,0,1,0,0|2,0,0]=4 1545 B11R1.41 CCC1CCCCN1CCO Amb9370238 [1,0,0,1,0,0|1,0,0]=3 1546 B11R1.41 CCCC1CCCCC1CN Amb26014918 [1,0,0,1,0,0|1,0,0]=3 1547 B11R1.41 CCCC1CCCC\C1=N/O Amb25992585 [1,0,0,1,0,0|1,0,1]=4 1548 B11R1.41 CCCC1CNCCN1CC Amb27836205 [1,0,0,1,0,0|2,0,0]=4 1549 B11R1.41 CCCC1COCCC1CN Amb28245486 [1,0,0,1,0,0|2,0,0]=4 1550 B11R1.41 CCCC1COCCC1NC Amb28050864 [1,0,0,1,0,0|2,0,0]=4 1551 B11R1.41 CCCC1NCCCC1CC Amb6666232 [1,0,0,1,0,0|1,0,0]=3 1552 B11R1.41 CCCC1NCCSC1CC Amb27636350 [1,0,0,1,0,0|2,0,0]=4 1553 B11R1.41 CCCN1CCCCC1CN Amb6674019 [1,0,0,1,0,0|2,0,0]=4 1554 B11R1.41 CCCN1CCCC[C@@H]1CN Amb33218412 [1,0,0,1,0,0|2,0,0]=4 1555 B11R1.41 CCCN1CCCC[C@H]1CN Amb33218399 [1,0,0,1,0,0|2,0,0]=4 1556 B11R1.41 CCCN1CCCC[C@H]1CO Amb27604762 [1,0,0,1,0,0|1,0,0]=3 1557 B11R1.41 CCCN1CCNCC1CC Amb28073886 [1,0,0,1,0,0|2,0,0]=4 1558 B11R1.41 CCCN1CCNC[C@H]1CC Amb32679908 [1,0,0,1,0,0|2,0,0]=4 1559 B11R1.41 CCCN1CCOC[C@H]1CO Amb27634506 [1,0,0,1,0,0|2,0,0]=4 1560 B11R1.41 CCC[C@@H]1CNCCN1CC Amb32679900 [1,0,0,1,0,0|2,0,0]=4 1561 B11R1.41 CCN1CCCCC1CCBr Amb27765441 [1,0,0,1,0,0|2,0,0]=4 1562 B11R1.41 CCN1CCCCC1CCN Amb18251513 [1,0,0,1,0,0|2,0,0]=4 1563 B11R1.41 CCN1CCCCC1CCO Amb18183195 [1,0,0,1,0,0|1,0,0]=3 1564 B11R1.41 CCN1CCCCC1CNC Amb5493931 [1,0,0,1,0,0|2,0,0]=4 1565 B11R1.41 CCN1CCNCC1CCO Amb27471859 [1,0,0,1,0,0|2,0,0]=4 1566 B11R1.41 CCN1CCOCC1CCO Amb28249011 [1,0,0,1,0,0|2,0,0]=4 1567 B11R1.41 CCNC1CCCCC1CCl Amb28321031 [1,0,0,1,0,0|2,0,0]=4 1568 B11R1.41 CCNC1CCCCC1SC Amb27490493 [1,0,0,1,0,0|2,0,0]=4 1569 B11R1.41 CCN[C@H]1CCCC[C@@H]1OC Amb28063657 [1,0,0,1,0,0|2,0,0]=4 1570 B11R1.41 CC[C@@H]1CCCC[C@H]1CCO Amb28321391 [1,0,0,1,0,0|0,0,0]=2 1571 B11R1.41 CC[C@H]1CNCC[C@@H]1CCO Amb27482650 [1,0,0,1,0,0|1,0,0]=3 1572 B11R1.41 CNCC1CCCCC1CCl Amb27868101 [1,0,0,1,0,0|2,0,0]=4 1573 B11R1.41 CNCC1CCCCC1CO Amb27640096 [1,0,0,1,0,0|1,0,0]=3 1574 B11R1.41 COC1CCCCC1CCBr Amb23538187 [1,0,0,1,0,0|2,0,0]=4 1575 B11R1.41 COC1CCCCC1CCCl Amb27849812 [1,0,0,1,0,0|2,0,0]=4 1576 B11R1.41 COCC1CCCCC1CCl Amb27794626 [1,0,0,1,0,0|2,0,0]=4 1577 B11R1.41 COC[C@@H]1CCCC[C@H]1CO Amb17939261 [1,0,0,1,0,0|1,0,0]=3 1578 B11R1.41 CO[C@@H]1CCCC[C@H]1CCO Amb27207783 [1,0,0,1,0,0|1,0,0]=3 1579 B11R1.41 CO[C@H]1CCCC[C@H]1CCCl Amb27632432 [1,0,0,1,0,0|2,0,0]=4 1580 B11R1.41 NCC1CCCCN1CCO Amb18294586 [1,0,0,1,0,0|2,0,0]=4 1581 B11R1.41 NCCC1CCCCC1CF Amb27967428 [1,0,0,1,0,0|2,0,0]=4 1582 B11R1.41 NCCN1CCCCC1CO Amb4304384 [1,0,0,1,0,0|2,0,0]=4 1583 B11R1.41 OCC1CCCCC1CCF Amb27958912 [1,0,0,1,0,0|1,0,0]=3 1584 B11R1.41 OCC1CCCCN1CCI Amb27977397 [1,0,0,1,0,0|2,0,0]=4 1585 B11R1.41 OCCN1CCCCC1CO Amb18177647 [1,0,0,1,0,0|2,0,0]=4 1586 B11R1.41 OCCN1CCCC[C@H]1CO Amb28048433 [1,0,0,1,0,0|2,0,0]=4 1587 B11R1.41 OCC[C@@H]1CCCC[C@H]1CO Amb28249036 [1,0,0,1,0,0|1,0,0]=3 1588 B11R1.47 CCCCCCOC1CNC1 Amb18182290 [1,0,0,1,0,0|2,0,0]=4 1589 B11R1.47 CCCNCCOC1CCC1 Amb18179787 [1,0,0,1,0,0|2,0,0]=4 1590 B11R1.47 OCCCCCOC1CNC1 Amb32941480 [1,0,0,1,0,0|2,0,0]=4 1591 B11R1.47 OCCCCNCC1CCC1 Amb18182245 [1,0,0,1,0,0|1,0,0]=3 1592 B11R1.47 OCCOCCNC1CCC1 Amb18183343 [1,0,0,1,0,0|2,0,0]=4 1593 B11R1.51 CCC1CCCCCC1C#N Amb35611345 [1,0,0,1,0,0|1,0,1]=4 1594 B11R1.51 CCC1CCCCCC1C=O Amb35725693 [1,0,0,1,0,0|0,0,2]=4 1595 B11R1.51 CCC1CCCCCC1CBr Amb35721286 [1,0,0,1,0,0|1,0,0]=3 1596 B11R1.51 CCC1CCCCCC1CCl Amb35721285 [1,0,0,1,0,0|1,0,0]=3 1597 B11R1.51 CCC1CCCCCC1CN Amb27977818 [1,0,0,1,0,0|1,0,0]=3 1598 B11R1.51 CCC1CCCCCC1CO Amb35672750 [1,0,0,1,0,0|0,0,0]=2 1599 B11R1.51 CCC1CCCCCC1NN Amb35734051 [1,0,0,1,0,0|2,0,0]=4 1600 B11R1.51 CCC1CCCCCC1NO Amb35725722 [1,0,0,1,0,0|1,0,0]=3 1601 B11R1.51 CCC1CCCCC\C1=N/O Amb35681163 [1,0,0,1,0,0|1,0,1]=4 1602 B11R1.51 CCC1CNCCCN1CO Amb9902169 [1,0,0,1,0,0|2,0,0]=4 1603 B11R1.51 CCN1CCCCCC1CO Amb10817345 [1,0,0,1,0,0|1,0,0]=3 1604 B11R1.51 CSC1CCCCCC1CN Amb18281653 [1,0,0,1,0,0|2,0,0]=4 1605 B11R1.51 OCC1CCCCCC1CCl Amb27875207 [1,0,0,1,0,0|1,0,0]=3 1606 B11R1.51 OC[C@H]1CCCCC[C@H]1CO Amb22356584 [1,0,0,1,0,0|1,0,0]=3 1607 B11R1.92 C1CCCCCCCCCC1 Amb25060085 [1,0,0,1,0,0|0,0,0]=2 1608 B11R1.92 C1CCCCCNCCCC1 Amb27462141 [1,0,0,1,0,0|1,0,0]=3 1609 B11R1.92 C1CCNCCCCNCC1 Amb27199700 [1,0,0,1,0,0|2,0,0]=4 1610 B11R1.99 BrCCCCCCCC1CC1 Amb33167094 [1,0,0,1,0,0|1,0,0]=3 1611 B11R1.99 C=CCCCCCCC1CO1 Amb8515343 [1,0,0,1,0,0|0,0,2]=4 1612 B11R1.99 CCCCCCCNC1CC1 Amb7794378 [1,0,0,1,0,0|1,0,0]=3 1613 B11R1.99 CCCCCCOCC1CO1 Amb7761629 [1,0,0,1,0,0|1,0,0]=3 1614 B11R1.99 CCCCNCCNC1CC1 Amb2694236 [1,0,0,1,0,0|2,0,0]=4 1615 B11R1.99 CCCNCCCCC1CC1 Amb32675851 [1,0,0,1,0,0|1,0,0]=3 1616 B11R1.99 COCCCCCNC1CC1 Amb18797208 [1,0,0,1,0,0|2,0,0]=4 1617 B11R1.99 NCCCCCCCC1CC1 Amb33167099 [1,0,0,1,0,0|1,0,0]=3 1618 B11R1.99 O=CCCCCCCC1CC1 Amb33167104 [1,0,0,1,0,0|0,0,2]=4 1619 B11R1.99 OCCNCCCCC1CC1 Amb32675860 [1,0,0,1,0,0|1,0,0]=3 1620 B11R1.99 OCCOCCNCC1CC1 Amb9519958 [1,0,0,1,0,0|2,0,0]=4 1621 B11R1.101 CN1CCCCCNCCC1 Amb32753620 [1,0,0,1,0,0|2,0,0]=4 1622 B11R1.101 CN1CCCCCNCCC1 Amb33038179 [1,0,0,1,0,0|2,0,0]=4 1623 B11R1.101 CN1CCCCNCCCC1 Amb18200074 [1,0,0,1,0,0|2,0,0]=4 1624 B11R1.101 ClC1CCCCCCCCC1 Amb26603797 [1,0,0,1,0,0|1,0,0]=3 1625 B11R1.101 NC1CCCCCCCCC1 Amb17593887 [1,0,0,1,0,0|1,0,0]=3 1626 B11R1.101 NC1CCCCCCCCC1 Amb29837926 [1,0,0,1,0,0|1,0,0]=3 1627 B11R1.101 O=C1CCCCCCCCC1 Amb2778532 [1,0,0,1,0,0|0,0,2]=4 1628 B11R1.101 OB1CCCCNCCCC1 Amb28326087 [1,0,0,1,0,0|2,0,0]=4 1629 B11R1.101 OC1CC#CCCCCCC1 Amb27653123 [1,0,0,1,0,0|0,0,2]=4 1630 B11R1.101 OC1CCCC#CCCCC1 Amb27755526 [1,0,0,1,0,0|0,0,2]=4 1631 B11R1.101 OC1CCCCCCCCC1 Amb22008249 [1,0,0,1,0,0|0,0,0]=2 1632 B11R1.101 O[C@H]1C#CCCCCCCC1 Amb27833371 [1,0,0,1,0,0|0,0,2]=4 1633 B11R1.101 O[C@H]1C=CCCCCCCC1 Amb28206118 [1,0,0,1,0,0|0,0,2]=4 1634 B11R1.101 O[C@H]1CCCC=CCCCC1 Amb28079246 [1,0,0,1,0,0|0,0,2]=4 1635 B11R1.109 CCCC1CCNC1CCO Amb32946581 [1,0,0,1,0,0|1,0,0]=3 1636 B11R1.109 CCCC1OCCN1CCO Amb27989621 [1,0,0,1,0,0|2,0,0]=4 1637 B11R1.109 CCCN1CCCC1CCBr Amb27987119 [1,0,0,1,0,0|2,0,0]=4 1638 B11R1.109 CCCN1CCCC1CCCl Amb27987130 [1,0,0,1,0,0|2,0,0]=4 1639 B11R1.109 CCCN1CCCC1CCN Amb27987147 [1,0,0,1,0,0|2,0,0]=4 1640 B11R1.109 CCCN1CCCC1CCO Amb27989578 [1,0,0,1,0,0|1,0,0]=3 1641 B11R1.109 CCCN1CCCC1CNC Amb5493913 [1,0,0,1,0,0|2,0,0]=4 1642 B11R1.109 CCNC1CCCC1CCF Amb27272355 [1,0,0,1,0,0|2,0,0]=4 1643 B11R1.109 CCNC1CCCC1CCO Amb27272356 [1,0,0,1,0,0|1,0,0]=3 1644 B11R1.109 CCNC1CCCC1COC Amb27987808 [1,0,0,1,0,0|2,0,0]=4 1645 B11R1.109 CNCC1CCCN1CCO Amb27673287 [1,0,0,1,0,0|2,0,0]=4 1646 B11R1.109 COCC1CCCN1CCO Amb21861106 [1,0,0,1,0,0|2,0,0]=4 1647 B11R1.109 COC[C@@H]1CCCN1CCO Amb22228048 [1,0,0,1,0,0|2,0,0]=4 1648 B11R1.109 CSCC1CCCN1CCO Amb28387140 [1,0,0,1,0,0|2,0,0]=4 1649 B11R1.109 NCCC1CCCC1CCN Amb27673469 [1,0,0,1,0,0|2,0,0]=4 1650 B11R1.109 NCCC1CCCN1CCO Amb27987148 [1,0,0,1,0,0|2,0,0]=4 1651 B11R1.109 NCCN1CCCC1CCO Amb27987143 [1,0,0,1,0,0|2,0,0]=4 1652 B11R1.109 OCCC1CCCN1CCBr Amb27987141 [1,0,0,1,0,0|2,0,0]=4 1653 B11R1.109 OCCC1CCCN1CCCl Amb27987142 [1,0,0,1,0,0|2,0,0]=4 1654 B11R1.109 OCCC1CCCN1CCF Amb27987146 [1,0,0,1,0,0|2,0,0]=4 1655 B11R1.109 OCCC1CCCN1CCO Amb27987140 [1,0,0,1,0,0|2,0,0]=4 1656 B11R1.109 OCCC1CCCN1CCS Amb27987144 [1,0,0,1,0,0|2,0,0]=4 1657 B11R1.109 OCC[C@@H]1CNC[C@@H]1CCO Amb32686556 [1,0,0,1,0,0|2,0,0]=4 1658 B11R1.109 OCC[C@@H]1CNC[C@@H]1CCO Amb32686557 [1,0,0,1,0,0|2,0,0]=4 1659 B11R1.117 BrCCC1CCCCCCC1 Amb27231389 [1,0,0,1,0,0|1,0,0]=3 1660 B11R1.117 CCCC1CCCCCCN1 Amb27400100 [1,0,0,1,0,0|1,0,0]=3 1661 B11R1.117 CCCN1CCCCCCC1 Amb27176813 [1,0,0,1,0,0|1,0,0]=3 1662 B11R1.117 CCCN1CCCNCCC1 Amb18283143 [1,0,0,1,0,0|2,0,0]=4 1663 B11R1.117 CCNC1CCCCCCC1 Amb6279427 [1,0,0,1,0,0|1,0,0]=3 1664 B11R1.117 CNCC1CCCCCCC1 Amb19149347 [1,0,0,1,0,0|1,0,0]=3 1665 B11R1.117 ClCCC1CCCCCCC1 Amb27760938 [1,0,0,1,0,0|1,0,0]=3 1666 B11R1.117 N#CCC1CCCCCCC1 Amb25947499 [1,0,0,1,0,0|1,0,1]=4 1667 B11R1.117 NCCC1CCCCCCC1 Amb10607690 [1,0,0,1,0,0|1,0,0]=3 1668 B11R1.117 OCCC1=CCCCCCC1 Amb24439590 [1,0,0,1,0,0|0,0,2]=4 1669 B11R1.117 OCCC1CCCCCCN1 Amb28135445 [1,0,0,1,0,0|1,0,0]=3 1670 B11R1.117 ONCC1CCCCCCC1 Amb28189794 [1,0,0,1,0,0|1,0,0]=3 1671 B11R1.117 SCCN1CCCCCCC1 Amb27979127 [1,0,0,1,0,0|1,1,0]=4 1672 B11R1.180 C#CCCCC1CCCC1O Amb26560187 [1,0,0,1,0,0|0,0,2]=4 1673 B11R1.180 C#CCCC[C@@H]1CCC[C@H]1O Amb32945288 [1,0,0,1,0,0|0,0,2]=4 1674 B11R1.180 C=CCCCC1CCCC1O Amb24762973 [1,0,0,1,0,0|0,0,2]=4 1675 B11R1.180 C=CCCC[C@@H]1CCC[C@@H]1O Amb27989516 [1,0,0,1,0,0|0,0,2]=4 1676 B11R1.180 C=CCCC[C@@H]1CCC[C@H]1O Amb26999456 [1,0,0,1,0,0|0,0,2]=4 1677 B11R1.180 CC#CCCC1CCCC1O Amb28457009 [1,0,0,1,0,0|0,0,2]=4 1678 B11R1.180 CC#CCC[C@@H]1CCC[C@H]1O Amb32950188 [1,0,0,1,0,0|0,0,2]=4 1679 B11R1.180 CC1CCCC1CNCCN Amb27988593 [1,0,0,1,0,0|2,0,0]=4 1680 B11R1.180 CC1CCCC1NCCCF Amb27986344 [1,0,0,1,0,0|2,0,0]=4 1681 B11R1.180 CC1CCCC1NCCCI Amb28326426 [1,0,0,1,0,0|2,0,0]=4 1682 B11R1.180 CC1CCCC1NCCCO Amb24750431 [1,0,0,1,0,0|1,0,0]=3 1683 B11R1.180 CC1CCCN1CCCCBr Amb27986412 [1,0,0,1,0,0|2,0,0]=4 1684 B11R1.180 CC1CCCN1CCCCCl Amb18184021 [1,0,0,1,0,0|2,0,0]=4 1685 B11R1.180 CC1CCCN1CCCCF Amb28326414 [1,0,0,1,0,0|2,0,0]=4 1686 B11R1.180 CC1CCCN1CCCCS Amb27671138 [1,0,0,1,0,0|1,1,0]=4 1687 B11R1.180 CC1CSCC1NCCCO Amb27266650 [1,0,0,1,0,0|2,0,0]=4 1688 B11R1.180 CC1OCCC1CCCCN Amb33426821 [1,0,0,1,0,0|2,0,0]=4 1689 B11R1.180 CC1OCCC1NCCCO Amb26650565 [1,0,0,1,0,0|2,0,0]=4 1690 B11R1.180 CC1OCCC1SCCCO Amb27269984 [1,0,0,1,0,0|2,0,0]=4 1691 B11R1.180 CCCCCC1=CCC[C@@H]1O Amb27989471 [1,0,0,1,0,0|0,0,2]=4 1692 B11R1.180 CCCCCC1=CCC[C@H]1O Amb27989470 [1,0,0,1,0,0|0,0,2]=4 1693 B11R1.180 CCCCCC1CCCC1=O Amb534714 [1,0,0,1,0,0|0,0,2]=4 1694 B11R1.180 CCCCCC1CCCC1Br Amb27266930 [1,0,0,1,0,0|1,0,0]=3 1695 B11R1.180 CCCCCC1CCCC1O Amb18183110 [1,0,0,1,0,0|0,0,0]=2 1696 B11R1.180 CCCCCC1CCCN1C Amb27272323 [1,0,0,1,0,0|1,0,0]=3 1697 B11R1.180 CCCCCC1CNCC1O Amb32944704 [1,0,0,1,0,0|1,0,0]=3 1698 B11R1.180 CCCCCC1COCC1O Amb32945486 [1,0,0,1,0,0|1,0,0]=3 1699 B11R1.180 CCCCCC1OCCC1N Amb27271299 [1,0,0,1,0,0|2,0,0]=4 1700 B11R1.180 CCCCCC1OCCC1O Amb27673890 [1,0,0,1,0,0|1,0,0]=3 1701 B11R1.180 CCCCCN1CCCC1C Amb27272044 [1,0,0,1,0,0|1,0,0]=3 1702 B11R1.180 CCCCCN1CCCC1C Amb28352147 [1,0,0,1,0,0|1,0,0]=3 1703 B11R1.180 CCCCC[C@@H]1CCC[C@H]1O Amb26659964 [1,0,0,1,0,0|0,0,0]=2 1704 B11R1.180 CCCCC[C@@H]1CNC[C@H]1O Amb32945391 [1,0,0,1,0,0|1,0,0]=3 1705 B11R1.180 CCCCC[C@@H]1COC[C@H]1O Amb32945059 [1,0,0,1,0,0|1,0,0]=3 1706 B11R1.180 CCCCC[C@@H]1OCC[C@H]1O Amb27989725 [1,0,0,1,0,0|1,0,0]=3 1707 B11R1.180 CCCCNC1CCCC1Cl Amb27674051 [1,0,0,1,0,0|2,0,0]=4 1708 B11R1.180 CCCCNC1CCCC1O Amb18303638 [1,0,0,1,0,0|1,0,0]=3 1709 B11R1.180 CCCCNC1CCOC1C Amb26650564 [1,0,0,1,0,0|2,0,0]=4 1710 B11R1.180 CCCCNC1COCC1O Amb19006705 [1,0,0,1,0,0|2,0,0]=4 1711 B11R1.180 CCCCNC1CSCC1C Amb27266648 [1,0,0,1,0,0|2,0,0]=4 1712 B11R1.180 CCCCN[C@@H]1CCC[C@H]1O Amb27266974 [1,0,0,1,0,0|1,0,0]=3 1713 B11R1.180 CCCCN[C@@H]1CCO[C@@H]1C Amb28387895 [1,0,0,1,0,0|2,0,0]=4 1714 B11R1.180 CCCCN[C@@H]1COC[C@H]1O Amb27674041 [1,0,0,1,0,0|2,0,0]=4 1715 B11R1.180 CCCCN[C@H]1CCC[C@@H]1O Amb27988011 [1,0,0,1,0,0|1,0,0]=3 1716 B11R1.180 CCCCOC1CCCC1Br Amb24761922 [1,0,0,1,0,0|2,0,0]=4 1717 B11R1.180 CCCCOC1CCCC1I Amb27000729 [1,0,0,1,0,0|2,0,0]=4 1718 B11R1.180 CCCCOC1CCCC1N Amb8895216 [1,0,0,1,0,0|2,0,0]=4 1719 B11R1.180 CCCCOC1CCCC1O Amb18799957 [1,0,0,1,0,0|1,0,0]=3 1720 B11R1.180 CCCCOC1COCC1O Amb27673883 [1,0,0,1,0,0|2,0,0]=4 1721 B11R1.180 CCCCO[C@@H]1CNC[C@H]1O Amb27269488 [1,0,0,1,0,0|2,0,0]=4 1722 B11R1.180 CCCCSC1CCCC1Cl Amb27990087 [1,0,0,1,0,0|2,0,0]=4 1723 B11R1.180 CCCCSC1COCC1O Amb27987624 [1,0,0,1,0,0|2,0,0]=4 1724 B11R1.180 CCCCS[C@@H]1CNC[C@H]1O Amb27269493 [1,0,0,1,0,0|2,0,0]=4 1725 B11R1.180 CCCNCC1CCCC1C Amb27987158 [1,0,0,1,0,0|1,0,0]=3 1726 B11R1.180 CCCNCC1CCCC1Cl Amb27271601 [1,0,0,1,0,0|2,0,0]=4 1727 B11R1.180 CCCNCC1CCCC1O Amb27271525 [1,0,0,1,0,0|1,0,0]=3 1728 B11R1.180 CCCNCC1CCNC1C Amb27670355 [1,0,0,1,0,0|2,0,0]=4 1729 B11R1.180 CCCNCC1CCOC1C Amb27818693 [1,0,0,1,0,0|2,0,0]=4 1730 B11R1.180 CCCNCC1CNCC1C Amb27986990 [1,0,0,1,0,0|2,0,0]=4 1731 B11R1.180 CCCNCC1OCCC1C Amb27269992 [1,0,0,1,0,0|2,0,0]=4 1732 B11R1.180 CCCNC[C@@H]1CNC[C@H]1C Amb27673012 [1,0,0,1,0,0|2,0,0]=4 1733 B11R1.180 CCCOCC1CCCC1Br Amb27987803 [1,0,0,1,0,0|2,0,0]=4 1734 B11R1.180 CCCOCC1CCCC1Cl Amb27987802 [1,0,0,1,0,0|2,0,0]=4 1735 B11R1.180 CCCOCC1CCCC1N Amb27987806 [1,0,0,1,0,0|2,0,0]=4 1736 B11R1.180 CCCOCC1CCCC1O Amb27987798 [1,0,0,1,0,0|1,0,0]=3 1737 B11R1.180 CCCOCC1CNCC1O Amb32944627 [1,0,0,1,0,0|2,0,0]=4 1738 B11R1.180 CCCOCC1COCC1O Amb32944802 [1,0,0,1,0,0|2,0,0]=4 1739 B11R1.180 CCCOC[C@@H]1CCC[C@H]1O Amb32944526 [1,0,0,1,0,0|1,0,0]=3 1740 B11R1.180 CCCOC[C@@H]1CNC[C@H]1O Amb33213341 [1,0,0,1,0,0|2,0,0]=4 1741 B11R1.180 CCCOC[C@@H]1COC[C@H]1O Amb32945951 [1,0,0,1,0,0|2,0,0]=4 1742 B11R1.180 CCOCCC1CCCC1Br Amb27269149 [1,0,0,1,0,0|2,0,0]=4 1743 B11R1.180 CCOCCC1CCCC1O Amb18183285 [1,0,0,1,0,0|1,0,0]=3 1744 B11R1.180 CCOCC[C@@H]1CNC[C@H]1O Amb32709318 [1,0,0,1,0,0|2,0,0]=4 1745 B11R1.180 CCSCCC1CCCC1Br Amb27271790 [1,0,0,1,0,0|2,0,0]=4 1746 B11R1.180 CCSCCC1CCCC1Cl Amb27986363 [1,0,0,1,0,0|2,0,0]=4 1747 B11R1.180 CCSCCC1CCCC1N Amb27987804 [1,0,0,1,0,0|2,0,0]=4 1748 B11R1.180 CCSCCC1CCCC1O Amb27986369 [1,0,0,1,0,0|1,0,0]=3 1749 B11R1.180 CCSCCC1CSCC1O Amb27986361 [1,0,0,1,0,0|2,0,0]=4 1750 B11R1.180 CC\C=C/CC1CCCC1O Amb25123974 [1,0,0,1,0,0|0,0,2]=4 1751 B11R1.180 CC\C=C\CC1CCCC1O Amb27637395 [1,0,0,1,0,0|0,0,2]=4 1752 B11R1.180 CN1CCCC1CCCCBr Amb33434965 [1,0,0,1,0,0|2,0,0]=4 1753 B11R1.180 CN1CCCC1CCCCN Amb33321392 [1,0,0,1,0,0|2,0,0]=4 1754 B11R1.180 CN1CCCC1CCCCO Amb24750381 [1,0,0,1,0,0|1,0,0]=3 1755 B11R1.180 CN1CCCC1CCCCS Amb33325945 [1,0,0,1,0,0|1,1,0]=4 1756 B11R1.180 CN1CCCC1CSCCO Amb27674124 [1,0,0,1,0,0|2,0,0]=4 1757 B11R1.180 CN1CCC[C@H]1CNCCO Amb22228398 [1,0,0,1,0,0|2,0,0]=4 1758 B11R1.180 CNCCCC1CCCN1C Amb23541770 [1,0,0,1,0,0|2,0,0]=4 1759 B11R1.180 CNCCSC1CCCC1O Amb27674016 [1,0,0,1,0,0|2,0,0]=4 1760 B11R1.180 COCCCC1CCCC1Br Amb27269148 [1,0,0,1,0,0|2,0,0]=4 1761 B11R1.180 COCCCC1CCCC1Cl Amb18808937 [1,0,0,1,0,0|2,0,0]=4 1762 B11R1.180 COCCCC1CCCC1O Amb18183284 [1,0,0,1,0,0|1,0,0]=3 1763 B11R1.180 COCCCC1CNCC1O Amb32944669 [1,0,0,1,0,0|2,0,0]=4 1764 B11R1.180 COCCCC1COCC1O Amb32944212 [1,0,0,1,0,0|2,0,0]=4 1765 B11R1.180 COCCC[C@@H]1CCC[C@H]1O Amb32945571 [1,0,0,1,0,0|1,0,0]=3 1766 B11R1.180 COCCC[C@@H]1CNC[C@H]1O Amb32709339 [1,0,0,1,0,0|2,0,0]=4 1767 B11R1.180 COCCC[C@@H]1COC[C@H]1O Amb32944812 [1,0,0,1,0,0|2,0,0]=4 1768 B11R1.180 COCCNC1CCCC1C Amb24271165 [1,0,0,1,0,0|2,0,0]=4 1769 B11R1.180 COCCNC1CCCC1O Amb19004850 [1,0,0,1,0,0|2,0,0]=4 1770 B11R1.180 COCCN[C@@H]1CCC[C@H]1O Amb27266976 [1,0,0,1,0,0|2,0,0]=4 1771 B11R1.180 COCCN[C@H]1CCC[C@@H]1O Amb27988013 [1,0,0,1,0,0|2,0,0]=4 1772 B11R1.180 COCCOC1CCCC1O Amb18183403 [1,0,0,1,0,0|2,0,0]=4 1773 B11R1.180 CSCCCC1CCCC1Br Amb27271791 [1,0,0,1,0,0|2,0,0]=4 1774 B11R1.180 CSCCCC1CCCC1Cl Amb27986364 [1,0,0,1,0,0|2,0,0]=4 1775 B11R1.180 CSCCCC1CCCC1O Amb27986370 [1,0,0,1,0,0|1,0,0]=3 1776 B11R1.180 CSCCCC1CSCC1O Amb27986362 [1,0,0,1,0,0|2,0,0]=4 1777 B11R1.180 CSCCNC1CCCC1C Amb27670539 [1,0,0,1,0,0|2,0,0]=4 1778 B11R1.180 CSCCNC1CCCC1O Amb27266781 [1,0,0,1,0,0|2,0,0]=4 1779 B11R1.180 CSCCN[C@@H]1CCC[C@H]1O Amb27266979 [1,0,0,1,0,0|2,0,0]=4 1780 B11R1.180 CSCCN[C@H]1CCC[C@@H]1O Amb27988016 [1,0,0,1,0,0|2,0,0]=4 1781 B11R1.180 C[C@H]1OCC[C@H]1NCCCO Amb28387242 [1,0,0,1,0,0|2,0,0]=4 1782 B11R1.180 NC1CCCC1SCCCO Amb27269748 [1,0,0,1,0,0|2,0,0]=4 1783 B11R1.180 NCCCNC1CCCC1O Amb18183300 [1,0,0,1,0,0|2,0,0]=4 1784 B11R1.180 NCCCN[C@@H]1CCC[C@H]1O Amb27266975 [1,0,0,1,0,0|2,0,0]=4 1785 B11R1.180 NCCCN[C@H]1CCC[C@@H]1O Amb27988012 [1,0,0,1,0,0|2,0,0]=4 1786 B11R1.180 NCCCSC1CCCC1O Amb27269752 [1,0,0,1,0,0|2,0,0]=4 1787 B11R1.180 O=C1CCCC1CCCCO Amb27986534 [1,0,0,1,0,0|1,0,1]=4 1788 B11R1.180 OC1CSCC1CCCCF Amb27988245 [1,0,0,1,0,0|2,0,0]=4 1789 B11R1.180 OCCCCC1CCCC1O Amb28080690 [1,0,0,1,0,0|1,0,0]=3 1790 B11R1.180 OCCCNC1CCCC1O Amb18303311 [1,0,0,1,0,0|2,0,0]=4 1791 B11R1.180 OCCCN[C@@H]1CCC[C@H]1O Amb27266977 [1,0,0,1,0,0|2,0,0]=4 1792 B11R1.180 OCCCN[C@H]1CCC[C@@H]1O Amb27988014 [1,0,0,1,0,0|2,0,0]=4 1793 B11R1.180 OCCCSC1CCCC1O Amb27271107 [1,0,0,1,0,0|2,0,0]=4 1794 B11R1.180 OCCNCC1CCCC1O Amb27271603 [1,0,0,1,0,0|2,0,0]=4 1795 B11R1.180 O[C@@H]1CCC[C@H]1NCCCF Amb27266978 [1,0,0,1,0,0|2,0,0]=4 1796 B11R1.180 O[C@@H]1CNC[C@H]1CCCCF Amb32709332 [1,0,0,1,0,0|2,0,0]=4 1797 B11R1.180 O[C@H]1CCC[C@@H]1NCCCF Amb27988015 [1,0,0,1,0,0|2,0,0]=4 1798 B11R1.181 CCC1CCC1CNCCN Amb32420103 [1,0,0,1,0,0|2,0,0]=4 1799 B11R1.181 CCC1CCC1CNCCO Amb32419822 [1,0,0,1,0,0|1,0,0]=3 1800 B11R1.181 CCCCCN1CCC1CN Amb33251964 [1,0,0,1,0,0|2,0,0]=4 1801 B11R1.190 CC1CCC1CNCCCN Amb32421501 [1,0,0,1,0,0|2,0,0]=4 1802 B11R1.190 CC1CCC1CNCCCO Amb32420109 [1,0,0,1,0,0|1,0,0]=3 1803 B11R1.203 BrCCCC1CCCCCC1 Amb25836156 [1,0,0,1,0,0|1,0,0]=3 1804 B11R1.203 BrCCOC1CCCCCC1 Amb27485201 [1,0,0,1,0,0|2,0,0]=4 1805 B11R1.203 C#CCCC1CCCCCC1 Amb32882184 [1,0,0,1,0,0|0,0,2]=4 1806 B11R1.203 C=CCCC1CCCCCC1 Amb29865043 [1,0,0,1,0,0|0,0,2]=4 1807 B11R1.203 CCCCC1CCCNCC1 Amb27982191 [1,0,0,1,0,0|1,0,0]=3 1808 B11R1.203 CCCCC1CCNCCO1 Amb32679926 [1,0,0,1,0,0|1,0,0]=3 1809 B11R1.203 CCCCN1CCCCCC1 Amb22347751 [1,0,0,1,0,0|1,0,0]=3 1810 B11R1.203 CCCCN1CCCNCC1 Amb1141433 [1,0,0,1,0,0|2,0,0]=4 1811 B11R1.203 CCCNC1CCCCCC1 Amb22587063 [1,0,0,1,0,0|1,0,0]=3 1812 B11R1.203 CCCNC1CCCCCC1 Amb6266225 [1,0,0,1,0,0|1,0,0]=3 1813 B11R1.203 CCCNC1CCCSCC1 Amb35692804 [1,0,0,1,0,0|2,0,0]=4 1814 B11R1.203 CCCOC1CCCNCC1 Amb19514939 [1,0,0,1,0,0|2,0,0]=4 1815 B11R1.203 CCNCC1CCCSCC1 Amb35627391 [1,0,0,1,0,0|2,0,0]=4 1816 B11R1.203 CCSCC1CCCCNC1 Amb29854440 [1,0,0,1,0,0|2,0,0]=4 1817 B11R1.203 CNCCC1CCCCCC1 Amb26457524 [1,0,0,1,0,0|1,0,0]=3 1818 B11R1.203 CNCCC1CCCCCN1 Amb27797506 [1,0,0,1,0,0|2,0,0]=4 1819 B11R1.203 CNCCN1CCCCCC1 Amb22586828 [1,0,0,1,0,0|2,0,0]=4 1820 B11R1.203 CNCCN1CCCCCC1 Amb6715126 [1,0,0,1,0,0|2,0,0]=4 1821 B11R1.203 COCCC1CCCCCN1 Amb27634772 [1,0,0,1,0,0|2,0,0]=4 1822 B11R1.203 COCCC1CCCCNC1 Amb27823463 [1,0,0,1,0,0|2,0,0]=4 1823 B11R1.203 ClCCCC1OCCCCO1 Amb28396626 [1,0,0,1,0,0|2,0,0]=4 1824 B11R1.203 ClCCCN1CCCCCC1 Amb17335099 [1,0,0,1,0,0|2,0,0]=4 1825 B11R1.203 ClCCNC1CCCCCC1 Amb17335094 [1,0,0,1,0,0|2,0,0]=4 1826 B11R1.203 ClCCOC1CCCCCC1 Amb18795877 [1,0,0,1,0,0|2,0,0]=4 1827 B11R1.203 ClCOCC1CCCCCC1 Amb28118315 [1,0,0,1,0,0|2,0,0]=4 1828 B11R1.203 FCCNC1CCCCCC1 Amb27760204 [1,0,0,1,0,0|2,0,0]=4 1829 B11R1.203 N#CCCC1CCCCCC1 Amb26050765 [1,0,0,1,0,0|1,0,1]=4 1830 B11R1.203 NCCCC1CCCCCC1 Amb25113900 [1,0,0,1,0,0|1,0,0]=3 1831 B11R1.203 NCCCN1CCCCCC1 Amb1154115 [1,0,0,1,0,0|2,0,0]=4 1832 B11R1.203 NCCCN1CCCCCC1 Amb5837271 [1,0,0,1,0,0|2,0,0]=4 1833 B11R1.203 NCCNC1CCCCCC1 Amb17091047 [1,0,0,1,0,0|2,0,0]=4 1834 B11R1.203 NCCOC1CCCCCC1 Amb18290053 [1,0,0,1,0,0|2,0,0]=4 1835 B11R1.203 NOCCC1CCCCCC1 Amb33267300 [1,0,0,1,0,0|2,0,0]=4 1836 B11R1.203 O=CCCC1CCCCCC1 Amb26946978 [1,0,0,1,0,0|0,0,2]=4 1837 B11R1.203 OCCCC1CCC=CCC1 Amb33213740 [1,0,0,1,0,0|0,0,2]=4 1838 B11R1.203 OCCCC1CCCCCC1 Amb26928808 [1,0,0,1,0,0|0,0,0]=2 1839 B11R1.203 OCCCC1CCCCCN1 Amb18199937 [1,0,0,1,0,0|1,0,0]=3 1840 B11R1.203 OCCCC1CCCCCO1 Amb27218605 [1,0,0,1,0,0|1,0,0]=3 1841 B11R1.203 OCCCC1CCCCNC1 Amb27241624 [1,0,0,1,0,0|1,0,0]=3 1842 B11R1.203 OCCCC1CCCNCC1 Amb23453247 [1,0,0,1,0,0|1,0,0]=3 1843 B11R1.203 OCCCN1CCCCCC1 Amb31188130 [1,0,0,1,0,0|1,0,0]=3 1844 B11R1.203 OCCCN1CCCCCC1 Amb8503314 [1,0,0,1,0,0|1,0,0]=3 1845 B11R1.203 OCCCN1CCCNCC1 Amb8852582 [1,0,0,1,0,0|2,0,0]=4 1846 B11R1.203 OCCCN1CCCOCC1 Amb18800144 [1,0,0,1,0,0|2,0,0]=4 1847 B11R1.203 OCCCN1CCCOCC1 Amb33482812 [1,0,0,1,0,0|2,0,0]=4 1848 B11R1.203 OCCC[C@H]1C=CCCCC1 Amb27662385 [1,0,0,1,0,0|0,0,2]=4 1849 B11R1.203 OCCNC1CCCCCC1 Amb28960309 [1,0,0,1,0,0|1,0,0]=3 1850 B11R1.203 OCCNC1CCCCCC1 Amb9203172 [1,0,0,1,0,0|1,0,0]=3 1851 B11R1.203 OCCNC1CCCCNC1 Amb27631682 [1,0,0,1,0,0|2,0,0]=4 1852 B11R1.203 OCCNC1CCCSCC1 Amb35692809 [1,0,0,1,0,0|2,0,0]=4 1853 B11R1.203 OCCOC1CCCCCC1 Amb18799958 [1,0,0,1,0,0|1,0,0]=3 1854 B11R1.203 OCCSC1CCCCCC1 Amb28401295 [1,0,0,1,0,0|1,0,0]=3 1855 B11R1.203 OCCSC1CCCNCC1 Amb35672458 [1,0,0,1,0,0|2,0,0]=4 1856 B11R1.203 OC\C=C\C1CCCCCC1 Amb33474211 [1,0,0,1,0,0|0,0,2]=4 1857 B11R1.203 SCCCC1CCCCCC1 Amb32881853 [1,0,0,1,0,0|0,1,0]=3 1858 B11R1.203 SCCNC1CCCCCC1 Amb26372799 [1,0,0,1,0,0|1,1,0]=4 1859 B11R1.203 SCCOC1CCCCCC1 Amb27807299 [1,0,0,1,0,0|1,1,0]=4 1860 B11R1.203 [C-]#[N+]CCC1CCCCCC1 Amb28071396 [1,0,0,1,0,0|1,0,1]=4 1861 B11R1.248 CCC1CCCCNCCC1 Amb28398141 [1,0,0,1,0,0|1,0,0]=3 1862 B11R1.248 NCC1CCCCCCCC1 Amb27645281 [1,0,0,1,0,0|1,0,0]=3 1863 B11R1.248 O=CC1CCCCCCCC1 Amb27215402 [1,0,0,1,0,0|0,0,2]=4 1864 B11R1.248 OCC1CCCCCCCN1 Amb27463499 [1,0,0,1,0,0|1,0,0]=3 1865 B13R1.6 CC1CCCN(CCCCCN)C1 Amb5357885 [0,1,0,1,0,0|2,0,0]=4 1866 B13R1.6 CCCCCCC1CCCC(=O)O1 Amb9825889 [0,1,0,1,0,0|0,0,1]=3 1867 B13R1.6 CCCCCNC1CCCC(C)C1 Amb4304139 [0,1,0,1,0,0|2,0,0]=4 1868 B13R1.6 CCCCNCC1CN(C)CCO1 Amb33496341 [0,1,0,1,0,0|2,0,0]=4 1869 B13R1.42 CCCC(C)NCC1CCCCC1 Amb22587064 [0,1,0,1,0,0|2,0,0]=4 1870 B13R1.42 CCCC(C)NCC1CCCCC1 Amb9731659 [0,1,0,1,0,0|2,0,0]=4 1871 B13R1.42 CCCC(O)C#CC1CCCCO1 Amb28248715 [0,1,0,1,0,0|0,0,2]=4 1872 B13R1.42 CN(CCO)CCC1CCCCN1 Amb21957950 [0,1,0,1,0,0|2,0,0]=4 1873 B13R1.42 CN(CCO)CCC1CCCCN1 Amb28556015 [0,1,0,1,0,0|2,0,0]=4 1874 B13R1.42 CN(CCO)CCC1CCCNC1 Amb21957980 [0,1,0,1,0,0|2,0,0]=4 1875 B13R1.42 NC(CCO)CCN1CCOCC1 Amb33320415 [0,1,0,1,0,0|2,0,0]=4 1876 B13R1.42 NCCC(O)CCC1CCCCC1 Amb32693794 [0,1,0,1,0,0|1,0,0]=3 1877 B13R1.119 CCCCCCCCC1OCCO1 Amb22364938 [0,1,0,1,0,0|0,0,0]=2 1878 B13R1.119 CCCCCCCNC1CCCC1 Amb7757184 [0,1,0,1,0,0|1,0,0]=3 1879 B13R1.119 CCCCCSCCC1OCCO1 Amb27594324 [0,1,0,1,0,0|1,0,0]=3 1880 B13R1.119 CCCNCCNCC1CCCO1 Amb19076056 [0,1,0,1,0,0|1,0,0]=3 1881 B13R1.119 CCNCCCNCC1CCCO1 Amb19058771 [0,1,0,1,0,0|1,0,0]=3 1882 B13R1.119 ClCCCNCCCN1CCCC1 Amb20573219 [0,1,0,1,0,0|2,0,0]=4 1883 B13R1.119 NCCCCCCCN1CCCC1 Amb6715013 [0,1,0,1,0,0|1,0,0]=3 1884 B13R1.119 NCCCCSCCN1CCCC1 Amb17500963 [0,1,0,1,0,0|2,0,0]=4 1885 B13R1.119 OCCCNCCCN1CCCC1 Amb19075985 [0,1,0,1,0,0|1,0,0]=3 1886 B13R1.119 OCCOCCOCC1CCCO1 Amb33204427 [0,1,0,1,0,0|2,0,0]=4 1887 B13R1.226 CCOC1CCOCCCC(C)O1 Amb28249915 [0,1,0,1,0,0|2,0,0]=4 1888 B13R1.229 CCCN1CCCCCNCCC1 Amb32794984 [0,1,0,1,0,0|2,0,0]=4 1889 B13R1.229 OCCC1=CCCCCCCCC1 Amb28281926 [0,1,0,1,0,0|0,0,1]=3 1890 B13R1.279 CC1CCCCCCCCCCC1 Amb27263841 [0,1,0,1,0,0|1,0,0]=3 1891 B13R1.279 ClC1CCCCCCCCCCC1 Amb7766842 [0,1,0,1,0,0|1,0,0]=3 1892 B13R1.279 NC1CCCCCCCCCCC1 Amb1116041 [0,1,0,1,0,0|1,0,0]=3 1893 B13R1.279 NC1CCCCCCCCCCC1 Amb32410389 [0,1,0,1,0,0|1,0,0]=3 1894 B13R1.279 O=C1CCCCCCCCCCC1 Amb1935123 [0,1,0,1,0,0|0,0,1]=3 1895 B13R1.279 O=C1CCCCCCCCCCN1 Amb22011853 [0,1,0,1,0,0|0,0,2]=4 1896 B13R1.279 OC1CCCCCCCCCCC1 Amb532972 [0,1,0,1,0,0|0,0,0]=2 1897 B13R1.279 SC1CCCCCCCCCCC1 Amb7784773 [0,1,0,1,0,0|0,1,0]=3 1898 B13R1.289 CC1CCCCCCCCC(=O)N1 Amb28365005 [0,1,0,1,0,0|0,0,2]=4 1899 B13R1.404 CC(CCO)CCCC1OCCO1 Amb27805366 [0,1,0,1,0,0|2,0,0]=4 1900 B13R1.404 CCCC(C)CNCC1CCCO1 Amb6721732 [0,1,0,1,0,0|1,0,0]=3 1901 B13R1.404 CN(CCO)CCCC1CCCN1 Amb17504909 [0,1,0,1,0,0|2,0,0]=4 1902 B13R1.444 CCCC(C)COC1CCCC1Br Amb33348485 [0,1,0,1,0,0|2,0,0]=4 1903 B13R1.444 CCCC(C)COC1CCCC1I Amb33348905 [0,1,0,1,0,0|2,0,0]=4 1904 B13R1.463 C=C(COC)C1CCCCCC1O Amb32950061 [0,1,0,1,0,0|1,0,1]=4 1905 B13R1.463 C=CCC(C)C1CCCCCC1O Amb32945165 [0,1,0,1,0,0|0,0,2]=4 1906 B13R1.463 C=CCC(C)[C@@H]1CCCCC[C@H]1O Amb32950288 [0,1,0,1,0,0|0,0,2]=4 1907 B13R1.463 CC1CCCCCC1N(C)CCBr Amb35681198 [0,1,0,1,0,0|2,0,0]=4 1908 B13R1.463 CC1CCCCCC1N(C)CCCl Amb35681197 [0,1,0,1,0,0|2,0,0]=4 1909 B13R1.463 CC1CCCCCC1N(C)CCN Amb35717778 [0,1,0,1,0,0|2,0,0]=4 1910 B13R1.463 CC1CCCCCC1N(C)CCS Amb29860880 [0,1,0,1,0,0|1,1,0]=4 1911 B13R1.463 CCCC(=O)C1CCCCCC1C Amb35725702 [0,1,0,1,0,0|1,0,1]=4 1912 B13R1.463 CCCC(Br)C1CCCCCC1C Amb35721306 [0,1,0,1,0,0|1,0,0]=3 1913 B13R1.463 CCCC(C)C1CCCCCC1O Amb24410525 [0,1,0,1,0,0|0,0,0]=2 1914 B13R1.463 CCCC(C)[C@@H]1CCCCC[C@H]1O Amb32945557 [0,1,0,1,0,0|0,0,0]=2 1915 B13R1.463 CCCC(Cl)C1CCCCCC1C Amb35721313 [0,1,0,1,0,0|1,0,0]=3 1916 B13R1.463 CCCC(N)C1CCCCCC1C Amb35671765 [0,1,0,1,0,0|1,0,0]=3 1917 B13R1.463 CCCC(N)C1CCCCCC1O Amb35593179 [0,1,0,1,0,0|0,0,0]=2 1918 B13R1.463 CCCC(O)C1CCCCCC1C Amb35672759 [0,1,0,1,0,0|1,0,0]=3 1919 B13R1.463 CCCC(O)C1CCCCCC1N Amb35622448 [0,1,0,1,0,0|1,0,0]=3 1920 B13R1.463 CCCC(O)C1CCCCCC1O Amb28428030 [0,1,0,1,0,0|0,0,0]=2 1921 B13R1.463 CCNC(C)C1CCCCCC1C Amb35671764 [0,1,0,1,0,0|2,0,0]=4 1922 B13R1.463 CCNC(C)C1CCCCCC1O Amb32944340 [0,1,0,1,0,0|1,0,0]=3 1923 B13R1.463 CCNC(C)[C@@H]1CCCCC[C@H]1O Amb32945590 [0,1,0,1,0,0|1,0,0]=3 1924 B13R1.463 CN(CCO)C1CCCCCC1O Amb27758262 [0,1,0,1,0,0|2,0,0]=4 1925 B13R1.463 COCC(C)C1CCCCCC1Cl Amb27949293 [0,1,0,1,0,0|2,0,0]=4 1926 B13R1.463 COCC(O)C1CCCCCC1N Amb35622485 [0,1,0,1,0,0|2,0,0]=4 1927 B13R1.464 C#CCC(O)C1CCCCC1CC Amb27246994 [0,1,0,1,0,0|1,0,1]=4 1928 B13R1.464 CCC1CCCCC1C(O)CC#N Amb27627199 [0,1,0,1,0,0|1,0,1]=4 1929 B13R1.464 CCC1CCCCC1C(O)CCN Amb32694039 [0,1,0,1,0,0|1,0,0]=3 1930 B13R1.464 CCCC(=O)N1CCCCC1CO Amb9278820 [0,1,0,1,0,0|1,0,1]=4 1931 B13R1.464 CCNC(=O)C1CCCCC1CO Amb17335768 [0,1,0,1,0,0|1,0,1]=4 1932 B13R1.470 CCCC(=O)NC1CCCCC1O Amb19069384 [0,1,0,1,0,0|1,0,1]=4 1933 B13R1.470 CCCC(=O)N[C@@H]1CCCC[C@H]1O Amb28290036 [0,1,0,1,0,0|1,0,1]=4 1934 B13R1.470 CCCC(C)CC1CCCCC1O Amb18328656 [0,1,0,1,0,0|0,0,0]=2 1935 B13R1.470 CCCC(C)C[C@@H]1CCCC[C@H]1O Amb32945426 [0,1,0,1,0,0|0,0,0]=2 1936 B13R1.470 CCCC(C)NC1CCCCC1O Amb18326899 [0,1,0,1,0,0|1,0,0]=3 1937 B13R1.470 CCCC(C)OC1CCCCC1Br Amb33349375 [0,1,0,1,0,0|2,0,0]=4 1938 B13R1.470 CCCC(C)OC1CCCCC1I Amb33349610 [0,1,0,1,0,0|2,0,0]=4 1939 B13R1.470 CN(CCO)CC1CCCCN1C Amb21865909 [0,1,0,1,0,0|2,0,0]=4 1940 B13R1.470 COCC(C)NC1CCCCC1O Amb19070861 [0,1,0,1,0,0|2,0,0]=4 1941 B13R1.603 N#CC1CCCCCCCCC1O Amb27947012 [0,1,0,1,0,0|0,0,1]=3 1942 B13R1.603 O\N=C1/CCCCCCCCC1Cl Amb27587280 [0,1,0,1,0,0|1,0,1]=4 1943 B13R1.632 CN1CCCCC[C@H](CO)CCC1 Amb27466448 [0,1,0,1,0,0|1,0,0]=3 1944 B13R1.654 CC1CCCC1NCCOCCO Amb33496274 [0,1,0,1,0,0|1,0,0]=3 1945 B13R1.654 CC1OCCC1NCCOCCO Amb33442013 [0,1,0,1,0,0|2,0,0]=4 1946 B13R1.654 CCCCC#CCC1CCCC1O Amb27664303 [0,1,0,1,0,0|0,0,1]=3 1947 B13R1.654 CCCCCCCC1CCCC1=O Amb533700 [0,1,0,1,0,0|0,0,1]=3 1948 B13R1.654 CCCCCCNC1CCCC1C Amb33496265 [0,1,0,1,0,0|1,0,0]=3 1949 B13R1.654 CCCCCCNC1CCOC1C Amb33441999 [0,1,0,1,0,0|2,0,0]=4 1950 B13R1.654 CCCCCCOC1CCCC1Br Amb33348483 [0,1,0,1,0,0|1,0,0]=3 1951 B13R1.654 CCCCCCOC1CCCC1I Amb33348903 [0,1,0,1,0,0|1,0,0]=3 1952 B13R1.654 CCCCCCOC1COCC1Br Amb33348608 [0,1,0,1,0,0|2,0,0]=4 1953 B13R1.654 CCCCCCOC1COCC1I Amb33348943 [0,1,0,1,0,0|2,0,0]=4 1954 B13R1.654 CCCOCCOC1CCCC1Br Amb33348489 [0,1,0,1,0,0|2,0,0]=4 1955 B13R1.654 CCCOCCOC1CCCC1I Amb33348909 [0,1,0,1,0,0|2,0,0]=4 1956 B13R1.654 COCCCCNC1CCCC1C Amb33440186 [0,1,0,1,0,0|1,0,0]=3 1957 B13R1.1293 C#CCC1(O)CCCCCC1CC Amb35721143 [0,1,0,1,0,0|1,0,1]=4 1958 B13R1.1293 C=CCC1(O)CCCCCC1CC Amb35721146 [0,1,0,1,0,0|1,0,1]=4 1959 B13R1.1293 CCC1CCCCCC1(N)CCO Amb35681119 [0,1,0,1,0,0|0,0,0]=2 1960 B13R1.1293 CCC1CCCCCC1(O)CC#N Amb35611358 [0,1,0,1,0,0|1,0,1]=4 1961 B13R1.1293 CCC1CCCCCC1(O)CC=O Amb35725689 [0,1,0,1,0,0|0,0,2]=4 1962 B13R1.1293 CCC1CCCCCC1(O)CCN Amb32694061 [0,1,0,1,0,0|1,0,0]=3 1963 B13R1.1293 CCC1CCCCCC1(O)CNC Amb35733939 [0,1,0,1,0,0|2,0,0]=4 1964 B13R1.1293 CCC1CCCCCC1(O)COC Amb35721149 [0,1,0,1,0,0|2,0,0]=4 1965 B13R1.1293 CCCC1(O)CCCCCC1CC Amb35721148 [0,1,0,1,0,0|1,0,0]=3 1966 B13R1.1464 C=CCC(N)C1CCCCCCC1 Amb27794115 [0,1,0,1,0,0|1,0,1]=4 1967 B13R1.1464 C=CCC(O)C1CCCCCCC1 Amb28125228 [0,1,0,1,0,0|1,0,1]=4 1968 B13R1.1464 CC(CCN)N1CCCCCCC1 Amb18291132 [0,1,0,1,0,0|2,0,0]=4 1969 B13R1.1464 CCCC(Br)C1CCCCCCC1 Amb27829461 [0,1,0,1,0,0|1,0,0]=3 1970 B13R1.1464 CCCC(C)N1CCCCCCC1 Amb28063697 [0,1,0,1,0,0|2,0,0]=4 1971 B13R1.1464 CCCC(N)C1=CCCCCCC1 Amb27258699 [0,1,0,1,0,0|1,0,1]=4 1972 B13R1.1464 CCCC(N)C1C=CCCCCC1 Amb29870017 [0,1,0,1,0,0|1,0,1]=4 1973 B13R1.1464 CN(CCI)C1CCCCCCC1 Amb28205055 [0,1,0,1,0,0|2,0,0]=4 1974 B13R1.1464 CN(CCN)C1CCCCCCC1 Amb18995006 [0,1,0,1,0,0|2,0,0]=4 1975 B13R1.1464 COCC(O)C1CCCCCCC1 Amb27482374 [0,1,0,1,0,0|2,0,0]=4 1976 B13R1.1464 NCCC(O)C1CCCCCCC1 Amb24645786 [0,1,0,1,0,0|1,0,0]=3 1977 B13R1.1464 O=CCC(O)C1CCCCCCC1 Amb28453617 [0,1,0,1,0,0|0,0,2]=4 1978 B13R1.1575 C#CCC(N)CC1CCCCCC1 Amb27881359 [0,1,0,1,0,0|1,0,1]=4 1979 B13R1.1575 CC(CCN)CN1CCCCCC1 Amb17335716 [0,1,0,1,0,0|2,0,0]=4 1980 B13R1.1575 N#CCC(O)CC1CCCCCC1 Amb27191551 [0,1,0,1,0,0|1,0,1]=4 1981 B13R1.1575 NC(CCO)CC1CCCCCC1 Amb32946519 [0,1,0,1,0,0|0,0,0]=2 1982 B13R1.1575 NCCC(O)CC1CCCCCC1 Amb32693782 [0,1,0,1,0,0|1,0,0]=3 1983 B13R1.1575 NCCC(O)CN1CCCCCC1 Amb18564401 [0,1,0,1,0,0|2,0,0]=4 1984 B13R1.1575 O=C(CCO)NC1CCCCCC1 Amb17335767 [0,1,0,1,0,0|1,0,1]=4 1985 B13R1.1650 CC1CN(C)CCCN1CCCO Amb27495620 [0,1,0,1,0,0|2,0,0]=4 1986 B13R1.1650 CCCC[C@@H]1C=CC[C@@H](O)C[C@@H]1O Amb27184221 [0,1,0,1,0,0|0,0,2]=4 1987 B13R1.1892 CCCC1CC(CNCCCN)C1 Amb32421503 [0,1,0,1,0,0|2,0,0]=4 1988 B13R1.1892 CCCC1CC(CNCCCO)C1 Amb32420111 [0,1,0,1,0,0|1,0,0]=3 1989 B13R1.3516 N#CC1C(O)CCCC1CCCO Amb28061960 [0,1,0,1,0,0|1,0,1]=4 1990 B13R1.3516 N#C[C@@H]1[C@H](O)CCC[C@@H]1CCCO Amb28053749 [0,1,0,1,0,0|1,0,1]=4 1991 B13R1.28 BrCCCCCCN1CCCCC1 Amb33623701 [0,1,0,1,0,0|1,0,0]=3 1992 B13R1.28 BrCCCCCCN1CCOCC1 Amb33623978 [0,1,0,1,0,0|2,0,0]=4 1993 B13R1.28 CCC#CCCOC1CCCCO1 Amb28455733 [0,1,0,1,0,0|0,0,2]=4 1994 B13R1.28 CCCCCCCC1CCCCC1 Amb21618900 [0,1,0,1,0,0|1,0,0]=3 1995 B13R1.28 CCCCCCCN1CCNCC1 Amb2688654 [0,1,0,1,0,0|2,0,0]=4 1996 B13R1.28 CCCCCCNC1CCCCC1 Amb6658030 [0,1,0,1,0,0|1,0,0]=3 1997 B13R1.28 CCCCCCNC1CCCSC1 Amb33212755 [0,1,0,1,0,0|1,1,0]=4 1998 B13R1.28 CCCCCCNC1CCOCC1 Amb9472538 [0,1,0,1,0,0|2,0,0]=4 1999 B13R1.28 CCCCCCNC1CCSCC1 Amb9248936 [0,1,0,1,0,0|2,0,0]=4 2000 B13R1.28 CCCCCNCC1CCOCC1 Amb19069643 [0,1,0,1,0,0|2,0,0]=4 2001 B13R1.28 CCNCCCNC1CCCCC1 Amb19069154 [0,1,0,1,0,0|2,0,0]=4 2002 B13R1.28 COCCCCNC1CCCCC1 Amb19075466 [0,1,0,1,0,0|1,0,0]=3 2003 B13R1.28 COCCCCNC1CCCSC1 Amb33212769 [0,1,0,1,0,0|2,0,0]=4 2004 B13R1.28 COCCCCNC1CCSCC1 Amb33003634 [0,1,0,1,0,0|2,0,0]=4 2005 B13R1.28 COCCCNCC1CCCCC1 Amb876058 [0,1,0,1,0,0|1,0,0]=3 2006 B13R1.28 COCCCNCC1CCOCC1 Amb18327475 [0,1,0,1,0,0|2,0,0]=4 2007 B13R1.28 COCCCOCC1CCNCC1 Amb21956744 [0,1,0,1,0,0|2,0,0]=4 2008 B13R1.28 COCCOCCC1CCCCN1 Amb21956705 [0,1,0,1,0,0|2,0,0]=4 2009 B13R1.28 COCCOCCC1CCCCN1 Amb9212450 [0,1,0,1,0,0|2,0,0]=4 2010 B13R1.28 ClCCCNCCN1CCCCC1 Amb20414316 [0,1,0,1,0,0|2,0,0]=4 2011 B13R1.28 ClCCNCCCN1CCCCC1 Amb20573164 [0,1,0,1,0,0|2,0,0]=4 2012 B13R1.28 NCCCCCCN1CCCCC1 Amb2613444 [0,1,0,1,0,0|1,0,0]=3 2013 B13R1.28 NCCCCCCN1CCNCC1 Amb2696771 [0,1,0,1,0,0|2,0,0]=4 2014 B13R1.28 NCCCCCCN1CCOCC1 Amb5357907 [0,1,0,1,0,0|2,0,0]=4 2015 B13R1.28 NCCCCCOC1CCCCC1 Amb19058200 [0,1,0,1,0,0|1,0,0]=3 2016 B13R1.28 NCCNCCCC1CCCCC1 Amb18104941 [0,1,0,1,0,0|1,0,0]=3 2017 B13R1.28 NCCNCCCN1CCCCC1 Amb20573175 [0,1,0,1,0,0|2,0,0]=4 2018 B13R1.28 OCCCC#CCN1CCCCC1 Amb27752329 [0,1,0,1,0,0|0,0,2]=4 2019 B13R1.28 OCCCNCCC1=CCCCC1 Amb17309071 [0,1,0,1,0,0|0,0,2]=4 2020 B13R1.28 OCCCNCCN1CCCCC1 Amb19075997 [0,1,0,1,0,0|1,0,0]=3 2021 B13R1.28 OCCCNCCN1CCOCC1 Amb9246662 [0,1,0,1,0,0|2,0,0]=4 2022 B13R1.28 OCCNCCCN1CCCCC1 Amb20414304 [0,1,0,1,0,0|1,0,0]=3 2023 B13R1.28 OCCNCCCN1CCOCC1 Amb9001416 [0,1,0,1,0,0|2,0,0]=4 2024 B13R1.28 OCCOCCCN1CCNCC1 Amb29083247 [0,1,0,1,0,0|2,0,0]=4 2025 B13R1.28 OCCOCCNC1CCCCC1 Amb6736246 [0,1,0,1,0,0|1,0,0]=3 2026 B13R1.28 OCCOCCNC1CCCSC1 Amb33212757 [0,1,0,1,0,0|2,0,0]=4 2027 B13R1.28 OCCOCCNC1CCSCC1 Amb9248983 [0,1,0,1,0,0|2,0,0]=4 2028 B13R1.28 OCCOCCOC1CCCCO1 Amb17620500 [0,1,0,1,0,0|2,0,0]=4 2029 B13R1.34 C#CCCCC1CCCCCC1O Amb24688460 [0,1,0,1,0,0|0,0,1]=3 2030 B13R1.34 C#CCCC[C@@H]1CCCCC[C@H]1O Amb32945796 [0,1,0,1,0,0|0,0,1]=3 2031 B13R1.34 C#CCCNC1CCCCCC1O Amb28249509 [0,1,0,1,0,0|0,0,2]=4 2032 B13R1.34 C=CCCCC1CCCCCC1O Amb32944831 [0,1,0,1,0,0|0,0,1]=3 2033 B13R1.34 C=CCCC[C@@H]1CCCCC[C@H]1O Amb32944362 [0,1,0,1,0,0|0,0,1]=3 2034 B13R1.34 CC#CCCC1CCCCCC1O Amb24463422 [0,1,0,1,0,0|0,0,1]=3 2035 B13R1.34 CC#CCC[C@@H]1CCCCC[C@H]1O Amb33213768 [0,1,0,1,0,0|0,0,1]=3 2036 B13R1.34 CC1CCCCCC1NCCC#N Amb28388311 [0,1,0,1,0,0|1,0,1]=4 2037 B13R1.34 CC1CCCCCN1CCCC#N Amb27473388 [0,1,0,1,0,0|1,0,1]=4 2038 B13R1.34 CCCCCC1CCCCCC1O Amb18328651 [0,1,0,1,0,0|0,0,0]=2 2039 B13R1.34 CCCCC[C@@H]1CCCCC[C@H]1O Amb32950644 [0,1,0,1,0,0|0,0,0]=2 2040 B13R1.34 CCCCOC1CCCCCC1Br Amb32710524 [0,1,0,1,0,0|1,0,0]=3 2041 B13R1.34 CCCCOC1CCCCCC1I Amb33348106 [0,1,0,1,0,0|1,0,0]=3 2042 B13R1.34 CCCOCC1CCCCCC1O Amb32950330 [0,1,0,1,0,0|0,0,0]=2 2043 B13R1.34 CCCOC[C@@H]1CCCCC[C@H]1O Amb32944327 [0,1,0,1,0,0|0,0,0]=2 2044 B13R1.34 COCCCC1CCCCCC1O Amb18329322 [0,1,0,1,0,0|0,0,0]=2 2045 B13R1.34 COCCCN1CCCNCC1C Amb18066199 [0,1,0,1,0,0|2,0,0]=4 2046 B13R1.34 COCCCN1CCNCCC1C Amb18066200 [0,1,0,1,0,0|2,0,0]=4 2047 B13R1.34 COCCC[C@@H]1CCCCC[C@H]1O Amb33213826 [0,1,0,1,0,0|0,0,0]=2 2048 B13R1.34 COCCOC1CCCCCC1Br Amb32710525 [0,1,0,1,0,0|2,0,0]=4 2049 B13R1.34 COCCOC1CCCCCC1I Amb32714731 [0,1,0,1,0,0|2,0,0]=4 2050 B13R1.34 COCCOC1CCCCCC1N Amb6661566 [0,1,0,1,0,0|2,0,0]=4 2051 B13R1.34 COCCOC1CCCCCC1O Amb18329912 [0,1,0,1,0,0|1,0,0]=3 2052 B13R1.34 C\C=C\COC1CCCCCC1O Amb35695546 [0,1,0,1,0,0|0,0,2]=4 2053 B13R1.84 CC#CCNC1CCCCC1CO Amb27791582 [0,1,0,1,0,0|0,0,2]=4 2054 B13R1.84 CCC1CCCCN1CCCCN Amb5357864 [0,1,0,1,0,0|1,0,0]=3 2055 B13R1.84 CCCCNC1CCCCC1OC Amb9625521 [0,1,0,1,0,0|1,0,0]=3 2056 B13R1.84 CCCCN[C@@H]1CCCC[C@H]1OC Amb31148568 [0,1,0,1,0,0|1,0,0]=3 2057 B13R1.84 CCCNCC1CCCCN1CC Amb5493941 [0,1,0,1,0,0|2,0,0]=4 2058 B13R1.84 CCNCCN1CCCCC1CC Amb18318956 [0,1,0,1,0,0|2,0,0]=4 2059 B13R1.137 CCCCNCC1CCCN1CC Amb5493927 [0,1,0,1,0,0|2,0,0]=4 2060 B13R1.154 CCCCC1C=CCCCCC1O Amb27605305 [0,1,0,1,0,0|0,0,1]=3 2061 B13R1.154 CCCOC1CCCCCCC1Br Amb24458051 [0,1,0,1,0,0|1,0,0]=3 2062 B13R1.154 CCCOC1CCCCCCC1I Amb24420928 [0,1,0,1,0,0|1,0,0]=3 2063 B13R1.154 CCCO[C@@H]1CCCCCC[C@H]1O Amb27431426 [0,1,0,1,0,0|0,0,0]=2 2064 B13R1.154 NC1CCCCCCC1SCCO Amb28143476 [0,1,0,1,0,0|1,0,0]=3 2065 B13R1.203 CC1CCCCCCCCCC1O Amb27650320 [0,1,0,1,0,0|0,0,0]=2 2066 B13R1.203 C[C@@H]1CCCCCCCCC[C@H]1O Amb27432179 [0,1,0,1,0,0|0,0,0]=2 2067 B13R1.203 O=C1CCCCCCCCCC1O Amb28282020 [0,1,0,1,0,0|0,0,1]=3 2068 B13R1.203 O[C@@H]1CCCCCCCCC[C@H]1O Amb27970887 [0,1,0,1,0,0|0,0,0]=2 2069 B13R1.203 O[C@H]1CCCCCCCCC[C@H]1O Amb28190320 [0,1,0,1,0,0|0,0,0]=2 2070 B13R1.207 CCNC1CCCCCCC1SC Amb27490487 [0,1,0,1,0,0|1,1,0]=4 2071 B13R1.207 CCSC1CCCCCCC1NC Amb28342708 [0,1,0,1,0,0|2,0,0]=4 2072 B13R1.225 C#CCC1CCCCCC1CNC Amb27609253 [0,1,0,1,0,0|1,0,1]=4 2073 B13R1.225 CCNC1CCCCCC1OCC Amb17606044 [0,1,0,1,0,0|2,0,0]=4 2074 B13R1.485 CCCC1CNCCN1CCOC Amb22059605 [0,1,0,1,0,0|2,0,0]=4 2075 B13R1.485 CNCCN1CCCCC1CCO Amb18319356 [0,1,0,1,0,0|1,0,0]=3 2076 B13R1.485 OCCC1CCCCN1CCCCl Amb20573209 [0,1,0,1,0,0|1,0,0]=3 2077 B13R1.485 OCCCN1CCCCC1CCO Amb9247518 [0,1,0,1,0,0|1,0,0]=3 2078 B13R1.489 BrCCCN1CCCCCCCC1 Amb28461355 [0,1,0,1,0,0|1,0,0]=3 2079 B13R1.489 C#CCCN1CCCCCCCC1 Amb27655912 [0,1,0,1,0,0|1,0,1]=4 2080 B13R1.489 OCCCN1CCCCCCCC1 Amb28188265 [0,1,0,1,0,0|0,0,0]=2 2081 B13R1.555 CC#CCCNC1CCCCC1O Amb27669577 [0,1,0,1,0,0|0,0,2]=4 2082 B13R1.555 CC#CCCN[C@@H]1CCCC[C@H]1O Amb26550299 [0,1,0,1,0,0|0,0,2]=4 2083 B13R1.555 CC#CCCN[C@H]1CCCC[C@@H]1O Amb28384007 [0,1,0,1,0,0|0,0,2]=4 2084 B13R1.555 CC1CCCCN1CCCCCN Amb5357883 [0,1,0,1,0,0|1,0,0]=3 2085 B13R1.555 CCCCC#CC1CCCCC1N Amb27811088 [0,1,0,1,0,0|1,0,1]=4 2086 B13R1.555 CCCCC#C[C@@H]1CCCC[C@@H]1O Amb27775499 [0,1,0,1,0,0|0,0,1]=3 2087 B13R1.555 CCCCC=C=C1CCCCC1O Amb27960239 [0,1,0,1,0,0|0,0,2]=4 2088 B13R1.555 CCCCCCN1CCNCC1C Amb18326616 [0,1,0,1,0,0|2,0,0]=4 2089 B13R1.555 CCCCCNC1CCCCC1C Amb4304138 [0,1,0,1,0,0|1,0,0]=3 2090 B13R1.555 CCCCCOC1CCCCC1Br Amb33349376 [0,1,0,1,0,0|1,0,0]=3 2091 B13R1.555 CCCCCOC1CCCCC1I Amb33349611 [0,1,0,1,0,0|1,0,0]=3 2092 B13R1.555 CCCNCCN1CCCCC1C Amb18318953 [0,1,0,1,0,0|2,0,0]=4 2093 B13R1.555 CCOCCNC1CCCCC1C Amb9241047 [0,1,0,1,0,0|2,0,0]=4 2094 B13R1.555 CCOCCOC1CCCCC1Br Amb33349380 [0,1,0,1,0,0|2,0,0]=4 2095 B13R1.555 CCOCCOC1CCCCC1I Amb33349615 [0,1,0,1,0,0|2,0,0]=4 2096 B13R1.555 COCC#CCC1CCCCC1O Amb32944905 [0,1,0,1,0,0|0,0,2]=4 2097 B13R1.555 COCC#CC[C@@H]1CCCC[C@H]1O Amb32944901 [0,1,0,1,0,0|0,0,2]=4 2098 B13R1.555 COCCCNC1CCCCC1C Amb6730175 [0,1,0,1,0,0|1,0,0]=3 2099 B13R1.555 COCCCNC1CNCCC1O Amb32753117 [0,1,0,1,0,0|2,0,0]=4 2100 B13R1.555 COCCCN[C@H]1CNCC[C@@H]1O Amb32657881 [0,1,0,1,0,0|2,0,0]=4 2101 B13R1.555 COCCCOC1CCCCC1Br Amb33349378 [0,1,0,1,0,0|2,0,0]=4 2102 B13R1.555 COCCCOC1CCCCC1I Amb33349613 [0,1,0,1,0,0|2,0,0]=4 2103 B13R1.555 OCC#CCC[C@@H]1CCCC[C@H]1O Amb27970966 [0,1,0,1,0,0|0,0,2]=4 2104 B13R1.560 CCCCCCCCOC1CNC1 Amb18327049 [0,1,0,1,0,0|2,0,0]=4 2105 B13R1.570 C#CCCC1CCCCCC1NC Amb28242142 [0,1,0,1,0,0|1,0,1]=4 2106 B13R1.570 C#CCNC1CCCCCC1CC Amb35725727 [0,1,0,1,0,0|1,0,1]=4 2107 B13R1.570 C#CCNC1CCCCCC1CO Amb28140565 [0,1,0,1,0,0|0,0,2]=4 2108 B13R1.570 CCC1CCCCC\C1=C/CCN Amb35734027 [0,1,0,1,0,0|1,0,1]=4 2109 B13R1.570 CCCNC1CCCCCC1C#N Amb18996787 [0,1,0,1,0,0|1,0,1]=4 2110 B13R1.570 CCCSC1CCCCCC1C#N Amb8923956 [0,1,0,1,0,0|1,0,1]=4 2111 B13R1.570 N#CC1CCCCCC1SCCO Amb9481904 [0,1,0,1,0,0|1,0,1]=4 2112 B13R1.570 N#CCCN1CCCCCC1CO Amb27796810 [0,1,0,1,0,0|1,0,1]=4 2113 B13R1.602 CN[C@H]1CCCCCCC[C@H]1NC Amb27478027 [0,1,0,1,0,0|2,0,0]=4 2114 B13R1.623 CCN1CCCCCCNCCC1 Amb32751715 [0,1,0,1,0,0|2,0,0]=4 2115 B13R1.623 COC1=NCCCCCCCCC1 Amb33621275 [0,1,0,1,0,0|1,0,1]=4 2116 B13R1.623 OCC1C=CCCCCCCCC1 Amb27651764 [0,1,0,1,0,0|0,0,1]=3 2117 B13R1.623 OCC1CCCCCCCCCC1 Amb27259064 [0,1,0,1,0,0|0,0,0]=2 2118 B13R1.655 CCCCCCCN1CCC1CN Amb33252052 [0,1,0,1,0,0|1,0,0]=3 2119 B13R1.655 CCCCOCCN1CCC1CN Amb33252058 [0,1,0,1,0,0|2,0,0]=4 2120 B13R1.659 BrCCCCCCCCCC1CC1 Amb32992760 [0,1,0,1,0,0|1,0,0]=3 2121 B13R1.659 CCCCCCCCCCC1CO1 Amb6600546 [0,1,0,1,0,0|0,0,0]=2 2122 B13R1.659 CCCCCCCCCNC1CC1 Amb7794379 [0,1,0,1,0,0|1,0,0]=3 2123 B13R1.659 COCCCNCCCCC1CC1 Amb32675846 [0,1,0,1,0,0|1,0,0]=3 2124 B13R1.659 NCCCCCCCCCC1CC1 Amb33167100 [0,1,0,1,0,0|1,0,0]=3 2125 B13R1.659 O=CCCCCCCCCC1CC1 Amb33167105 [0,1,0,1,0,0|0,0,1]=3 2126 B13R1.659 OCCCCCCCCCC1CC1 Amb32992804 [0,1,0,1,0,0|0,0,0]=2 2127 B13R1.1150 C#CCCCN1CCCCCCC1 Amb28457300 [0,1,0,1,0,0|1,0,1]=4 2128 B13R1.1150 C#CCCNC1CCCCCCC1 Amb28242084 [0,1,0,1,0,0|1,0,1]=4 2129 B13R1.1150 CCCCNC1CCCCCCC1 Amb6690973 [0,1,0,1,0,0|1,0,0]=3 2130 B13R1.1150 COCCNC1CCCCCCC1 Amb6685583 [0,1,0,1,0,0|1,0,0]=3 2131 B13R1.1150 N#CCCNC1CCCCCCC1 Amb2686645 [0,1,0,1,0,0|1,0,1]=4 2132 B13R1.1150 NCCCNC1CCCCCCC1 Amb17315276 [0,1,0,1,0,0|1,0,0]=3 2133 B13R1.1150 OCCCNC1CCCCCCC1 Amb6733582 [0,1,0,1,0,0|0,0,0]=2 2134 B13R1.1150 OCCON=C1CCCCCCC1 Amb27653103 [0,1,0,1,0,0|1,0,1]=4 2135 B13R1.1150 OC\C=C\CC1CCCCCCC1 Amb28350280 [0,1,0,1,0,0|0,0,1]=3 2136 B13R1.1887 CCCCC#CC1CCCCCN1 Amb27415747 [0,1,0,1,0,0|1,0,1]=4 2137 B13R1.1887 CCCCCCC1CCCCCN1 Amb2235791 [0,1,0,1,0,0|1,0,0]=3 2138 B13R1.1887 CCCCCCN1CCCNCC1 Amb7794158 [0,1,0,1,0,0|2,0,0]=4 2139 B13R1.1887 CCCNCCN1CCCCCC1 Amb17234129 [0,1,0,1,0,0|2,0,0]=4 2140 B13R1.1887 CCNCCCN1CCCCCC1 Amb19075029 [0,1,0,1,0,0|2,0,0]=4 2141 B13R1.1887 CCOCCNC1CCCCCC1 Amb9241032 [0,1,0,1,0,0|2,0,0]=4 2142 B13R1.1887 COCCCNC1CCCCCC1 Amb35752095 [0,1,0,1,0,0|1,0,0]=3 2143 B13R1.1887 COCCCNC1CCCCCC1 Amb6730166 [0,1,0,1,0,0|1,0,0]=3 2144 B13R1.1887 ClCCNCCN1CCCCCC1 Amb20414386 [0,1,0,1,0,0|2,0,0]=4 2145 B13R1.1887 NCCCCCN1CCCCCC1 Amb5357890 [0,1,0,1,0,0|1,0,0]=3 2146 B13R1.1887 NCCCCOC1CCCCCC1 Amb19058185 [0,1,0,1,0,0|1,0,0]=3 2147 B13R1.1887 NCCNCCN1CCCCCC1 Amb20573224 [0,1,0,1,0,0|2,0,0]=4 2148 B13R1.1887 NCCNCCN1CCCCCC1 Amb28555953 [0,1,0,1,0,0|2,0,0]=4 2149 B13R1.1887 OCCNCCN1CCCCCC1 Amb20573591 [0,1,0,1,0,0|1,0,0]=3 2150 B13R1.2883 C1CCCCCCNCCCCC1 Amb6360407 [0,1,0,1,0,0|1,0,0]=3 2151 B13R1.2883 C1CCCCNCCCNCCC1 Amb27415631 [0,1,0,1,0,0|1,0,0]=3 2152 B13R1.2883 C1CCCNCCNCCNCC1 Amb21953148 [0,1,0,1,0,0|2,0,0]=4 2153 B13R1.2883 C1CCNCCCNCCCNC1 Amb21953164 [0,1,0,1,0,0|2,0,0]=4 2154 B13R1.24 CC#CCCC(N)C1CCCCO1 Amb28345563 [0,1,0,1,0,0|0,0,2]=4 2155 B13R1.24 CC(NCCCO)C1CCCCC1 Amb9636784 [0,1,0,1,0,0|1,0,0]=3 2156 B13R1.24 CCCCNC(C)C1CCCCC1 Amb9625488 [0,1,0,1,0,0|2,0,0]=4 2157 B13R1.24 CCCNCC(C)C1CCCCN1 Amb32669093 [0,1,0,1,0,0|2,0,0]=4 2158 B13R1.24 CN(CCCCN)C1CCCCC1 Amb5357869 [0,1,0,1,0,0|2,0,0]=4 2159 B13R1.24 CN(CCCCO)C1CCCCC1 Amb2189175 [0,1,0,1,0,0|1,0,0]=3 2160 B13R1.24 O=C(CCCCO)N1CCCCC1 Amb17234201 [0,1,0,1,0,0|1,0,1]=4 2161 B13R1.24 O=C(NCCCO)C1CCCCC1 Amb5798391 [0,1,0,1,0,0|1,0,1]=4 2162 B13R1.48 CCCCCCC(=O)C1CCCC1 Amb533044 [0,1,0,1,0,0|1,0,1]=4 2163 B13R1.48 CCCCCCC(Cl)C1OCCO1 Amb27656225 [0,1,0,1,0,0|1,0,0]=3 2164 B13R1.48 CCCCCCC(O)C1CCCC1 Amb532964 [0,1,0,1,0,0|1,0,0]=3 2165 B13R1.156 CCCCCC(=O)CC1OCCO1 Amb22000771 [0,1,0,1,0,0|1,0,1]=4 2166 B13R1.156 COCCCC(N)CC1OCCO1 Amb27948436 [0,1,0,1,0,0|2,0,0]=4 2167 B13R1.189 CCCCCCN1CCC(CCl)C1 Amb32430454 [0,1,0,1,0,0|2,0,0]=4 2168 B13R1.189 CCCCCCN1CCC(CN)C1 Amb18328740 [0,1,0,1,0,0|2,0,0]=4 2169 B13R1.189 CCCCCCN1CCC(CO)C1 Amb19069582 [0,1,0,1,0,0|1,0,0]=3 2170 B13R1.189 CCOCCCN1CCC(CO)C1 Amb5755240 [0,1,0,1,0,0|2,0,0]=4 2171 B13R1.189 OCCCCCN1CCC(CO)C1 Amb19070927 [0,1,0,1,0,0|2,0,0]=4 2172 B13R1.486 O=C1CCCCCC(CCCO)N1 Amb18191307 [0,1,0,1,0,0|1,0,1]=4 2173 B13R1.556 C#CCCC1CC(N)CCC1CC Amb32866393 [0,1,0,1,0,0|1,0,1]=4 2174 B13R1.556 CCCCC1NC(C)CCC1CN Amb33500855 [0,1,0,1,0,0|2,0,0]=4 2175 B13R1.556 CCCCN1CC(C)NCC1CO Amb17578464 [0,1,0,1,0,0|2,0,0]=4 2176 B13R1.1156 CCCCC1CC(CNCCN)C1 Amb32420098 [0,1,0,1,0,0|2,0,0]=4 2177 B13R1.1156 CCCCC1CC(CNCCO)C1 Amb32419828 [0,1,0,1,0,0|1,0,0]=3 2178 B13R1.1248 C#CCC1CC(N)CCC1CCC Amb32866488 [0,1,0,1,0,0|1,0,1]=4 2179 B13R1.1604 CC1CCCC(C)N(CCCO)C1 Amb27804798 [0,1,0,1,0,0|1,0,0]=3 2180 B13R1.1604 CCCCC1=C[C@@H](O)CCC[C@H]1O Amb27427797 [0,1,0,1,0,0|0,0,2]=4 2181 B13R1.1627 C=C1CCCCC(O)C1CCCC Amb27456456 [0,1,0,1,0,0|0,0,1]=3 2182 B13R1.1627 C=C1CCCC[C@@H](O)[C@@H]1CCCC Amb27792971 [0,1,0,1,0,0|0,0,1]=3 2183 B13R1.2457 C#CCCCC1(N)CCCCC1C Amb35686416 [0,1,0,1,0,0|1,0,1]=4 2184 B13R1.2457 CCCCC[C@@]1(O)CCNC[C@H]1O Amb30529427 [0,1,0,1,0,0|1,0,0]=3 2185 B13R1.2457 CCOCCC1(O)CCCCC1N Amb32944395 [0,1,0,1,0,0|2,0,0]=4 2186 B13R1.2457 COCCCC1(O)CCCCC1N Amb32944393 [0,1,0,1,0,0|2,0,0]=4 2187 B13R1.2465 C#CCCCC1(N)CCCCCC1 Amb35686418 [0,1,0,1,0,0|1,0,1]=4 2188 B13R1.3674 CCCCCCC1(C)CNCCO1 Amb32430513 [0,1,0,1,0,0|1,0,0]=3 2189 B13R1.3803 O=C1CCCCCC(O)CCCO1 Amb28205496 [0,1,0,1,0,0|1,0,1]=4 2190 B13R1.8919 CC1CCCC(C)C1NCCCO Amb6733589 [0,1,0,1,0,0|1,0,0]=3 2191 B13R1.27 CC1CCC(NCCOCCO)C1 Amb33496662 [0,1,0,1,0,0|2,0,0]=4 2192 B13R1.27 CCCCCCNC1CCC(C)C1 Amb33496659 [0,1,0,1,0,0|2,0,0]=4 2193 B13R1.44 CC#CCC(O)CC1CCCCO1 Amb27431268 [0,1,0,1,0,0|0,0,2]=4 2194 B13R1.44 CC(CC1CCCCC1)NCCBr Amb33068348 [0,1,0,1,0,0|2,0,0]=4 2195 B13R1.44 CC(CC1CCCCC1)NCCF Amb33068338 [0,1,0,1,0,0|2,0,0]=4 2196 B13R1.44 CC(CC1CCCCC1)NCCO Amb33068306 [0,1,0,1,0,0|1,0,0]=3 2197 B13R1.44 CC(CCCO)NC1CCCCC1 Amb33363364 [0,1,0,1,0,0|1,0,0]=3 2198 B13R1.44 CC(CCCO)NC1CCCSC1 Amb33363340 [0,1,0,1,0,0|2,0,0]=4 2199 B13R1.44 CC(CCCO)NC1CCSCC1 Amb33363365 [0,1,0,1,0,0|2,0,0]=4 2200 B13R1.44 CCCCN(C)CC1CCCCN1 Amb6277433 [0,1,0,1,0,0|2,0,0]=4 2201 B13R1.44 CCCNC(C)CC1CCCCC1 Amb19068585 [0,1,0,1,0,0|2,0,0]=4 2202 B13R1.44 O=C(CCCO)NC1CCCCC1 Amb17234197 [0,1,0,1,0,0|1,0,1]=4 2203 B13R1.153 CCCCN(C)CCC1CCCN1 Amb17504863 [0,1,0,1,0,0|2,0,0]=4 2204 B13R1.487 CCCC[C@H]1CCCC[C@H](O)CC1 Amb28345404 [0,1,0,1,0,0|1,0,0]=3 2205 B13R1.500 CCCCC1CCC(CCCC)N1 Amb32716615 [0,1,0,1,0,0|1,0,0]=3 2206 B13R1.615 CCN1CCCCCCCC(N)C1 Amb27415530 [0,1,0,1,0,0|2,0,0]=4 2207 B13R1.656 C#CCCCC1CC(N)CCC1C Amb32866324 [0,1,0,1,0,0|1,0,1]=4 2208 B13R1.674 C=C(COCC)C1CCCCC1O Amb32950474 [0,1,0,1,0,0|1,0,1]=4 2209 B13R1.674 CC(CCCO)N1CCCCC1C Amb21984567 [0,1,0,1,0,0|1,0,0]=3 2210 B13R1.674 CCCCN(C)C1CCOCC1O Amb33041407 [0,1,0,1,0,0|2,0,0]=4 2211 B13R1.674 COCCC(C)C1CCCCC1O Amb32945358 [0,1,0,1,0,0|1,0,0]=3 2212 B13R1.674 COCCC(C)[C@@H]1CCCC[C@H]1O Amb32944235 [0,1,0,1,0,0|1,0,0]=3 2213 B13R1.684 CCCCC(=O)N1CCCC1CO Amb17102429 [0,1,0,1,0,0|1,0,1]=4 2214 B13R1.1927 CC1CCS(=O)CCN1CCCO Amb27769184 [0,1,0,1,0,0|2,0,0]=4 2215 B13R1.1944 COC1CCCCC1(O)CCCO Amb26304264 [0,1,0,1,0,0|1,0,0]=3 2216 B13R1.1958 C#CCCC1(O)CCCCCC1C Amb35721275 [0,1,0,1,0,0|1,0,1]=4 2217 B13R1.1958 C=CCCC1(O)CCCCCC1C Amb35721278 [0,1,0,1,0,0|1,0,1]=4 2218 B13R1.1958 CC1CCCCCC1(O)CCC=O Amb35725692 [0,1,0,1,0,0|0,0,2]=4 2219 B13R1.1958 CCCCC1(O)CCCCCC1C Amb35717681 [0,1,0,1,0,0|1,0,0]=3 2220 B13R1.1958 CCNCC1(O)CCCCCC1C Amb35733936 [0,1,0,1,0,0|2,0,0]=4 2221 B13R1.1958 CCOCC1(O)CCCCCC1C Amb35717685 [0,1,0,1,0,0|2,0,0]=4 2222 B13R1.1959 C#CCCC1(N)CCCCCCC1 Amb35606691 [0,1,0,1,0,0|1,0,1]=4 2223 B13R1.1959 C=CCCC1(N)CCCCCCC1 Amb35615128 [0,1,0,1,0,0|1,0,1]=4 2224 B13R1.1959 COCCC1(N)CCCCCCC1 Amb28454295 [0,1,0,1,0,0|2,0,0]=4 2225 B13R1.1959 CSCCC1(N)CCCCCCC1 Amb27604699 [0,1,0,1,0,0|2,0,0]=4 2226 B13R1.1959 NC1(CCCF)CCCCCCC1 Amb27769082 [0,1,0,1,0,0|1,0,0]=3 2227 B13R1.1959 NC1(CCCO)CCCCCCC1 Amb35626964 [0,1,0,1,0,0|0,0,0]=2 2228 B13R1.2133 C=C1CCCCC(CO)CCCC1 Amb27206530 [0,1,0,1,0,0|0,0,1]=3 2229 B13R1.2133 ON=C1CCCCC(O)CCCC1 Amb27617611 [0,1,0,1,0,0|1,0,1]=4 2230 B13R1.2436 CC1(CCCCCCN)OCCO1 Amb25106943 [0,1,0,1,0,0|2,0,0]=4 2231 B13R1.2436 CCCCNCCC1(C)OCCO1 Amb32675801 [0,1,0,1,0,0|2,0,0]=4 2232 B13R1.2439 CCC1CC(CNCCCCO)C1 Amb32421508 [0,1,0,1,0,0|1,0,0]=3 2233 B13R1.2488 C#CCCC(N)C1CCCCCC1 Amb28243454 [0,1,0,1,0,0|1,0,1]=4 2234 B13R1.2488 CC(CCCCl)N1CCCCCC1 Amb21984563 [0,1,0,1,0,0|2,0,0]=4 2235 B13R1.2488 CC(CCCN)N1CCCCCC1 Amb21984564 [0,1,0,1,0,0|2,0,0]=4 2236 B13R1.2488 CC(CCCO)N1CCCCCC1 Amb21984571 [0,1,0,1,0,0|1,0,0]=3 2237 B13R1.2488 CCNCC(N)C1CCCCCC1 Amb33229349 [0,1,0,1,0,0|2,0,0]=4 2238 B13R1.2488 CN(CCCCl)C1CCCCCC1 Amb17338049 [0,1,0,1,0,0|2,0,0]=4 2239 B13R1.2488 CN(CCCN)C1CCCCCC1 Amb9210143 [0,1,0,1,0,0|2,0,0]=4 2240 B13R1.2488 CN(CCCO)C1CCCCCC1 Amb9265548 [0,1,0,1,0,0|1,0,0]=3 2241 B13R1.2488 O=C(CCCO)N1CCCCCC1 Amb17234199 [0,1,0,1,0,0|1,0,1]=4 2242 B13R1.4018 CCC1CCCCC(=O)N1CCO Amb28435712 [0,1,0,1,0,0|1,0,1]=4 2243 B13R1.4102 CCC1CN(C)CCCN1CCO Amb27163228 [0,1,0,1,0,0|2,0,0]=4 2244 B13R1.90 CC(C)CCN1CCCC[C@@H]1CN Amb33218349 [0,1,0,1,0,0|2,0,0]=4 2245 B13R1.90 CC(C)CCN1CCCC[C@H]1CN Amb33218401 [0,1,0,1,0,0|2,0,0]=4 2246 B13R1.90 CCC1CCCCC1NCC(C)O Amb19058194 [0,1,0,1,0,0|1,0,0]=3 2247 B13R1.90 CCC1CCCCC1OCC(=O)O Amb6281025 [0,1,0,1,0,0|1,0,1]=4 2248 B13R1.90 CCC1CCCCN1CCC(=O)O Amb21955365 [0,1,0,1,0,0|1,0,1]=4 2249 B13R1.90 CCC1CCCCN1CCC(=O)O Amb5760925 [0,1,0,1,0,0|1,0,1]=4 2250 B13R1.158 CC(=O)NCCC1CCCCC1O Amb33229060 [0,1,0,1,0,0|1,0,1]=4 2251 B13R1.158 CC(C)=CCCC1CCCCC1O Amb32950880 [0,1,0,1,0,0|0,0,2]=4 2252 B13R1.158 CC(C)=CCC[C@@H]1CCCC[C@H]1O Amb33213211 [0,1,0,1,0,0|0,0,2]=4 2253 B13R1.158 CC(C)CCCC1CCCCC1O Amb32951019 [0,1,0,1,0,0|0,0,0]=2 2254 B13R1.158 CC(C)CCC[C@@H]1CCCC[C@H]1O Amb32944405 [0,1,0,1,0,0|0,0,0]=2 2255 B13R1.158 CC(C)CCNC1CCCCC1C Amb6692729 [0,1,0,1,0,0|2,0,0]=4 2256 B13R1.158 CC(C)CCOC1CCCCC1Br Amb33349377 [0,1,0,1,0,0|2,0,0]=4 2257 B13R1.158 CC(C)CCOC1CCCCC1I Amb33349612 [0,1,0,1,0,0|2,0,0]=4 2258 B13R1.158 CC(C)CCOC1CCCCC1N Amb32681219 [0,1,0,1,0,0|2,0,0]=4 2259 B13R1.158 CC(C)CCOC1CCCCC1N Amb6661865 [0,1,0,1,0,0|2,0,0]=4 2260 B13R1.158 CC(C)CCO[C@@H]1CCCC[C@H]1N Amb33189337 [0,1,0,1,0,0|2,0,0]=4 2261 B13R1.158 CC(C)CCO[C@@H]1CCCC[C@H]1N Amb33189341 [0,1,0,1,0,0|2,0,0]=4 2262 B13R1.158 CC(C)C\C=C\[C@H]1CCCC[C@@H]1O Amb27651855 [0,1,0,1,0,0|0,0,2]=4 2263 B13R1.158 CC(O)CCNC1CCCCC1C Amb33455962 [0,1,0,1,0,0|1,0,0]=3 2264 B13R1.158 CC1CCCCC1NCCC(=O)O Amb7755666 [0,1,0,1,0,0|1,0,1]=4 2265 B13R1.158 CC1CCCCN1CCCC(=O)O Amb5761440 [0,1,0,1,0,0|1,0,1]=4 2266 B13R1.158 CN(C)CCCC1CCCCC1O Amb32944656 [0,1,0,1,0,0|1,0,0]=3 2267 B13R1.158 CN(C)CCC[C@@H]1CCCC[C@H]1O Amb32950392 [0,1,0,1,0,0|1,0,0]=3 2268 B13R1.158 CN1CCCCC1CCCC(=O)O Amb33322459 [0,1,0,1,0,0|1,0,1]=4 2269 B13R1.158 OC1CCCCC1CCCC(F)F Amb32950299 [0,1,0,1,0,0|1,0,0]=3 2270 B13R1.158 O[C@@H]1CCCC[C@H]1CCCC(F)F Amb32944183 [0,1,0,1,0,0|1,0,0]=3 2271 B13R1.167 CC(C)CCCOC1CCCC1Br Amb33348484 [0,1,0,1,0,0|2,0,0]=4 2272 B13R1.167 CC(C)CCCOC1CCCC1I Amb33348904 [0,1,0,1,0,0|2,0,0]=4 2273 B13R1.167 CN1CCCC1CCCCC(=O)O Amb33320357 [0,1,0,1,0,0|1,0,1]=4 2274 B13R1.224 CC(C)C1CCCCCC1CCN Amb35733869 [0,1,0,1,0,0|1,0,0]=3 2275 B13R1.224 CC(C)C1CCCCCN1CCI Amb27761420 [0,1,0,1,0,0|2,0,0]=4 2276 B13R1.280 C=C(C)CCC1CCCCCC1N Amb27865273 [0,1,0,1,0,0|1,0,1]=4 2277 B13R1.280 C=C(C)CCC1CCCCCC1O Amb26330320 [0,1,0,1,0,0|0,0,1]=3 2278 B13R1.280 C=C(C)CC[C@@H]1CCCCC[C@H]1O Amb33213344 [0,1,0,1,0,0|0,0,1]=3 2279 B13R1.280 CC(C)=CCC1CCCCCC1O Amb19074198 [0,1,0,1,0,0|0,0,2]=4 2280 B13R1.280 CC(C)CCC1CCCCCC1O Amb18328653 [0,1,0,1,0,0|0,0,0]=2 2281 B13R1.280 CC(C)CC[C@@H]1CCCCC[C@H]1O Amb33213550 [0,1,0,1,0,0|0,0,0]=2 2282 B13R1.280 CC(C)CNC1CCCCCC1Cl Amb28198789 [0,1,0,1,0,0|2,0,0]=4 2283 B13R1.280 CC(C)CN[C@@H]1CCCCC[C@H]1O Amb27945209 [0,1,0,1,0,0|1,0,0]=3 2284 B13R1.280 CC(C)COC1CCCCCC1Br Amb26614560 [0,1,0,1,0,0|2,0,0]=4 2285 B13R1.280 CC(C)COC1CCCCCC1I Amb25846489 [0,1,0,1,0,0|2,0,0]=4 2286 B13R1.280 CC(C)COC1CCCCCC1N Amb6660842 [0,1,0,1,0,0|2,0,0]=4 2287 B13R1.280 CC(C)CSC1CCCCCC1N Amb28143477 [0,1,0,1,0,0|2,0,0]=4 2288 B13R1.280 CC(C)CSC1CCCCCC1O Amb27181172 [0,1,0,1,0,0|1,0,0]=3 2289 B13R1.280 CC(C)OCC1CCCCCC1Br Amb27415843 [0,1,0,1,0,0|2,0,0]=4 2290 B13R1.280 CC(C)OCC1CCCCCC1O Amb26995520 [0,1,0,1,0,0|1,0,0]=3 2291 B13R1.280 CC(C)OC[C@@H]1CCCCC[C@H]1O Amb32945773 [0,1,0,1,0,0|1,0,0]=3 2292 B13R1.280 CC(N)COC1CCCCCC1O Amb35723763 [0,1,0,1,0,0|1,0,0]=3 2293 B13R1.280 CC(O)CCN1CCSCCC1C Amb27250008 [0,1,0,1,0,0|2,0,0]=4 2294 B13R1.280 CC(O)CNC1CCCCCC1O Amb18323953 [0,1,0,1,0,0|1,0,0]=3 2295 B13R1.280 CC1CCCCCC1NC[C@H](C)O Amb27979536 [0,1,0,1,0,0|1,0,0]=3 2296 B13R1.280 CN1CCCCCC1CCC(=O)O Amb18191306 [0,1,0,1,0,0|1,0,1]=4 2297 B13R1.280 CS(=O)CCC1CCCCCC1Cl Amb27879969 [0,1,0,1,0,0|2,0,0]=4 2298 B13R1.280 C[C@H](O)CNC1CCCCCC1O Amb27396204 [0,1,0,1,0,0|1,0,0]=3 2299 B13R1.283 CC(=O)OC1CCCCCCC1O Amb28146133 [0,1,0,1,0,0|1,0,1]=4 2300 B13R1.283 CC(=O)O[C@@H]1CCCCCC[C@H]1O Amb27447910 [0,1,0,1,0,0|1,0,1]=4 2301 B13R1.283 CC(C)OC1CCCCCCC1Br Amb25161211 [0,1,0,1,0,0|2,0,0]=4 2302 B13R1.283 CC(C)OC1CCCCCCC1I Amb27835349 [0,1,0,1,0,0|2,0,0]=4 2303 B13R1.283 CN(C)CC1CCCCCCC1N Amb28291405 [0,1,0,1,0,0|2,0,0]=4 2304 B13R1.283 CN(C)CC1CCCCCCC1O Amb27484819 [0,1,0,1,0,0|1,0,0]=3 2305 B13R1.283 NC1CCCCCCC1CC(=O)O Amb32863475 [0,1,0,1,0,0|1,0,1]=4 2306 B13R1.337 CC(C)CSCCC1CCCCN1 Amb17503514 [0,1,0,1,0,0|2,0,0]=4 2307 B13R1.337 CC(O)CCCCN1CCOCC1 Amb18319548 [0,1,0,1,0,0|2,0,0]=4 2308 B13R1.337 CC(O)CCNCC1CCCCC1 Amb33455991 [0,1,0,1,0,0|1,0,0]=3 2309 B13R1.337 CC(O)CCNCC1CCOCC1 Amb33455959 [0,1,0,1,0,0|2,0,0]=4 2310 B13R1.337 CC(O)CNCCN1CCCCC1 Amb17308670 [0,1,0,1,0,0|2,0,0]=4 2311 B13R1.337 C[C@@H](O)CCCCN1CCOCC1 Amb33326182 [0,1,0,1,0,0|2,0,0]=4 2312 B13R1.337 C[C@H](O)CCCCN1CCOCC1 Amb33326183 [0,1,0,1,0,0|2,0,0]=4 2313 B13R1.337 O=C(O)CCCCC1CCCCC1 Amb22336378 [0,1,0,1,0,0|0,0,1]=3 2314 B13R1.337 O=C(O)CCCCC1CCCCN1 Amb32430376 [0,1,0,1,0,0|1,0,1]=4 2315 B13R1.337 O=C(O)CCCCC1CCCOC1 Amb33229244 [0,1,0,1,0,0|1,0,1]=4 2316 B13R1.337 O=C(O)CCCCC1CCOCC1 Amb33229243 [0,1,0,1,0,0|1,0,1]=4 2317 B13R1.337 O=C(O)CCCCN1CCCCC1 Amb19373622 [0,1,0,1,0,0|1,0,1]=4 2318 B13R1.337 O=C(O)CCCSC1CCCCC1 Amb32411477 [0,1,0,1,0,0|1,0,1]=4 2319 B13R1.337 O=C(O)CCNCC1CCCCC1 Amb8830821 [0,1,0,1,0,0|1,0,1]=4 2320 B13R1.337 O=C(O)CCSCC1CCCCC1 Amb6260195 [0,1,0,1,0,0|1,0,1]=4 2321 B13R1.343 C=C(C)CCCCCC1OCCO1 Amb27413105 [0,1,0,1,0,0|1,0,1]=4 2322 B13R1.343 CC(C)CCCSCC1OCCO1 Amb28065556 [0,1,0,1,0,0|2,0,0]=4 2323 B13R1.343 CC(C)NCCNCC1CCCO1 Amb19058679 [0,1,0,1,0,0|2,0,0]=4 2324 B13R1.343 CC(O)CCCCCC1OCCO1 Amb28138618 [0,1,0,1,0,0|1,0,0]=3 2325 B13R1.343 O=C(O)CCCCCC1CCCC1 Amb33172440 [0,1,0,1,0,0|0,0,1]=3 2326 B13R1.343 O=C(O)CCCCCN1CCCC1 Amb32953909 [0,1,0,1,0,0|1,0,1]=4 2327 B13R1.343 O=C(O)CCCCOC1CCCC1 Amb9207783 [0,1,0,1,0,0|1,0,1]=4 2328 B13R1.380 CC(C)CN1CCCCC1CCN Amb10607590 [0,1,0,1,0,0|2,0,0]=4 2329 B13R1.380 CC(C)CN1CCNCC1CCO Amb10607782 [0,1,0,1,0,0|2,0,0]=4 2330 B13R1.380 CC(C)CN1CCNCC1CCO Amb2189163 [0,1,0,1,0,0|2,0,0]=4 2331 B13R1.380 CC(C)CN1CCNCC1CCO Amb32409734 [0,1,0,1,0,0|2,0,0]=4 2332 B13R1.380 CN(C)CC1CCCCN1CCO Amb21860124 [0,1,0,1,0,0|2,0,0]=4 2333 B13R1.572 CCCCC1CCCNC1C(=O)O Amb33500830 [0,1,0,1,0,0|1,0,1]=4 2334 B13R1.572 CCCCC1CCNCC1C(=O)O Amb33500858 [0,1,0,1,0,0|1,0,1]=4 2335 B13R1.572 CCCCC1CNCCC1C(=O)O Amb33500839 [0,1,0,1,0,0|1,0,1]=4 2336 B13R1.572 CCCCC1NCCCC1C(=O)O Amb33500838 [0,1,0,1,0,0|1,0,1]=4 2337 B13R1.572 CCCCN1CCCCC1C(=O)O Amb13886354 [0,1,0,1,0,0|1,0,1]=4 2338 B13R1.572 CCCCN1CCCCC1C(=O)O Amb2382770 [0,1,0,1,0,0|1,0,1]=4 2339 B13R1.572 CN(C)C1CCCCC1CCCN Amb18822643 [0,1,0,1,0,0|2,0,0]=4 2340 B13R1.572 [C-]#[N+]CCC1CCCCC1C(C)F Amb27864510 [0,1,0,1,0,0|2,0,0]=4 2341 B13R1.610 CC(C)CN1CCCCCC1CBr Amb27754651 [0,1,0,1,0,0|2,0,0]=4 2342 B13R1.610 CC(C)CN1CCCCCC1CCl Amb27415061 [0,1,0,1,0,0|2,0,0]=4 2343 B13R1.610 CC(C)CN1CCCCCC1CO Amb27633817 [0,1,0,1,0,0|1,0,0]=3 2344 B13R1.610 CC(O)CN1CCCCCC1CO Amb27877722 [0,1,0,1,0,0|1,0,0]=3 2345 B13R1.610 CCC1CCCCCC1CC(=O)O Amb35721706 [0,1,0,1,0,0|0,0,1]=3 2346 B13R1.610 CCC1CCCCCC1NC(C)C Amb35725729 [0,1,0,1,0,0|2,0,0]=4 2347 B13R1.610 CCC1CCCCCN1CC(C)O Amb27251592 [0,1,0,1,0,0|1,0,0]=3 2348 B13R1.610 CCC1CCCCCN1CC(F)F Amb27834879 [0,1,0,1,0,0|2,0,0]=4 2349 B13R1.610 CCC1CCCCCN1C[C@H](C)N Amb27258841 [0,1,0,1,0,0|2,0,0]=4 2350 B13R1.610 CCC1CCCCC\C1=C/C(C)O Amb35672745 [0,1,0,1,0,0|0,0,2]=4 2351 B13R1.610 CCN1CCCCCC1CC(C)Br Amb27948191 [0,1,0,1,0,0|2,0,0]=4 2352 B13R1.610 CCN1CCCCCC1CC(C)N Amb27179675 [0,1,0,1,0,0|2,0,0]=4 2353 B13R1.610 CC[C@@H]1NCCCC[C@H]1CC(=O)O Amb18191310 [0,1,0,1,0,0|1,0,1]=4 2354 B13R1.610 CNC1CCCCCC1CC(C)C Amb18326148 [0,1,0,1,0,0|2,0,0]=4 2355 B13R1.610 COC1CCCCCC1CC(=O)O Amb18822015 [0,1,0,1,0,0|1,0,1]=4 2356 B13R1.614 CCN1CCCCCCC1C(=O)O Amb28249659 [0,1,0,1,0,0|1,0,1]=4 2357 B13R1.668 C#CCCCC1CCCCC1(C)O Amb32950631 [0,1,0,1,0,0|0,0,2]=4 2358 B13R1.668 C#CCCC[C@@H]1CCCC[C@@]1(C)O Amb33213409 [0,1,0,1,0,0|0,0,2]=4 2359 B13R1.668 C=CCCCC1CCCCC1(C)O Amb32944866 [0,1,0,1,0,0|0,0,2]=4 2360 B13R1.668 C=CCCC[C@@H]1CCCC[C@@]1(C)O Amb33213934 [0,1,0,1,0,0|0,0,2]=4 2361 B13R1.668 CC#CCCC1CCCCC1(C)O Amb33213372 [0,1,0,1,0,0|0,0,2]=4 2362 B13R1.668 CC#CCC[C@@H]1CCCC[C@@]1(C)O Amb33212967 [0,1,0,1,0,0|0,0,2]=4 2363 B13R1.668 CCCCCC1CCCCC1(C)O Amb32945009 [0,1,0,1,0,0|0,0,0]=2 2364 B13R1.668 CCCCC[C@@H]1CCCC[C@@]1(C)O Amb32944703 [0,1,0,1,0,0|0,0,0]=2 2365 B13R1.668 CCCOCC1CCCCC1(C)O Amb33213679 [0,1,0,1,0,0|1,0,0]=3 2366 B13R1.668 CCCOC[C@@H]1CCCC[C@@]1(C)O Amb32950926 [0,1,0,1,0,0|1,0,0]=3 2367 B13R1.668 COCCCC1CCCCC1(C)O Amb33507139 [0,1,0,1,0,0|1,0,0]=3 2368 B13R1.668 COCCC[C@@H]1CCCC[C@@]1(C)O Amb32950635 [0,1,0,1,0,0|1,0,0]=3 2369 B13R1.1009 O=C(O)C1CCCCCCCCN1 Amb27392275 [0,1,0,1,0,0|1,0,1]=4 2370 B13R1.1022 C[C@H](O)CNC1CCCCCCC1 Amb28075804 [0,1,0,1,0,0|1,0,0]=3 2371 B13R1.1022 O=C(O)CCC1CCCCCCC1 Amb27605503 [0,1,0,1,0,0|0,0,1]=3 2372 B13R1.1022 O=C(O)CCN1CCCCCCC1 Amb21955684 [0,1,0,1,0,0|1,0,1]=4 2373 B13R1.1022 O=C(O)CCN1CCCCCCC1 Amb6646779 [0,1,0,1,0,0|1,0,1]=4 2374 B13R1.1022 O=C(O)COC1CCCCCCC1 Amb28385714 [0,1,0,1,0,0|1,0,1]=4 2375 B13R1.1052 O=C(O)CCCCCCCC1CC1 Amb33167110 [0,1,0,1,0,0|0,0,1]=3 2376 B13R1.1107 C[C@H](N)CN1CCCCCCCC1 Amb27250804 [0,1,0,1,0,0|2,0,0]=4 2377 B13R1.1988 CC(C)CCNC1CCCCCC1 Amb6692723 [0,1,0,1,0,0|2,0,0]=4 2378 B13R1.1988 CC(O)CCNC1CCCCCC1 Amb33496526 [0,1,0,1,0,0|1,0,0]=3 2379 B13R1.1988 O=C(O)CCCC1CCCCCC1 Amb33470260 [0,1,0,1,0,0|0,0,1]=3 2380 B13R1.1988 O=C(O)CCCN1CCCCCC1 Amb10072744 [0,1,0,1,0,0|1,0,1]=4 2381 B13R1.1988 O=C(O)CCCN1CCCCCC1 Amb5501646 [0,1,0,1,0,0|1,0,1]=4 2382 B13R1.9 CC1CCN(CCCCCN)CC1 Amb5357886 [0,1,0,1,0,0|2,0,0]=4 2383 B13R1.9 CC1CCN(CCNCCO)CC1 Amb17318039 [0,1,0,1,0,0|2,0,0]=4 2384 B13R1.9 CCCCCCC1CCC(=O)CC1 Amb33718611 [0,1,0,1,0,0|1,0,1]=4 2385 B13R1.9 CCCCCNC1CCC(C)CC1 Amb6688079 [0,1,0,1,0,0|2,0,0]=4 2386 B13R1.9 CCCNCCC1CCC(C)CC1 Amb33039044 [0,1,0,1,0,0|2,0,0]=4 2387 B13R1.9 CN1CCC(NCCCCO)CC1 Amb34912647 [0,1,0,1,0,0|2,0,0]=4 2388 B13R1.91 CCC(=O)NC1CCCCC1CO Amb27247164 [0,1,0,1,0,0|1,0,1]=4 2389 B13R1.91 CCC(=O)N[C@@H]1CCCC[C@H]1CO Amb27588671 [0,1,0,1,0,0|1,0,1]=4 2390 B13R1.91 CCC1CCCCC1NC(C)CO Amb33496370 [0,1,0,1,0,0|1,0,0]=3 2391 B13R1.91 CCC1CCCCC1\C=C(\C)CO Amb27222932 [0,1,0,1,0,0|0,0,2]=4 2392 B13R1.91 CCC1CCCCN1CC(O)CF Amb33495485 [0,1,0,1,0,0|2,0,0]=4 2393 B13R1.91 CCC1CCCCN1CC(O)CN Amb8893906 [0,1,0,1,0,0|2,0,0]=4 2394 B13R1.382 CCC(=O)N1CCCCC1CCO Amb5797481 [0,1,0,1,0,0|1,0,1]=4 2395 B13R1.382 CCOC1COCCC1C(C)CO Amb33746397 [0,1,0,1,0,0|2,0,0]=4 2396 B13R1.382 CCOC1COCCC1[C@@H](C)CO Amb33748034 [0,1,0,1,0,0|2,0,0]=4 2397 B13R1.382 CCOC1COCCC1[C@H](C)CO Amb33730591 [0,1,0,1,0,0|2,0,0]=4 2398 B13R1.527 C=C(CC)CC1CCCCCC1N Amb27664612 [0,1,0,1,0,0|1,0,1]=4 2399 B13R1.527 C=C(CC)CC1CCCCCC1O Amb25731638 [0,1,0,1,0,0|0,0,1]=3 2400 B13R1.527 C=C(CC)C[C@@H]1CCCCC[C@H]1O Amb32945252 [0,1,0,1,0,0|0,0,1]=3 2401 B13R1.527 CC(CN)CN1CCCCCC1C Amb27222329 [0,1,0,1,0,0|2,0,0]=4 2402 B13R1.527 CC(CO)CC1CCCCCC1O Amb27163518 [0,1,0,1,0,0|1,0,0]=3 2403 B13R1.527 CC(CO)CN1CCSCCC1C Amb27981424 [0,1,0,1,0,0|2,0,0]=4 2404 B13R1.527 CC(CO)OC1CCCCCC1N Amb27400118 [0,1,0,1,0,0|2,0,0]=4 2405 B13R1.527 CC(CO)SC1CCCCCC1N Amb28120854 [0,1,0,1,0,0|2,0,0]=4 2406 B13R1.527 CC(CO)SC1CCCCCC1O Amb28341662 [0,1,0,1,0,0|2,0,0]=4 2407 B13R1.527 CC1CCCCCN1CC(O)CF Amb26404734 [0,1,0,1,0,0|2,0,0]=4 2408 B13R1.527 CC1CCCCCN1CC(O)CN Amb28366135 [0,1,0,1,0,0|2,0,0]=4 2409 B13R1.527 CCC(C)CC1CCCCCC1N Amb18328402 [0,1,0,1,0,0|1,0,0]=3 2410 B13R1.527 CCC(C)CC1CCCCCC1O Amb18328654 [0,1,0,1,0,0|0,0,0]=2 2411 B13R1.527 CCC(C)C[C@@H]1CCCCC[C@H]1O Amb32945789 [0,1,0,1,0,0|0,0,0]=2 2412 B13R1.527 CCC(C)NC1CCCCCC1Cl Amb28251827 [0,1,0,1,0,0|2,0,0]=4 2413 B13R1.527 CCC(C)OC1CCCCCC1Br Amb25154845 [0,1,0,1,0,0|2,0,0]=4 2414 B13R1.527 CCC(C)OC1CCCCCC1I Amb27617965 [0,1,0,1,0,0|2,0,0]=4 2415 B13R1.527 CCC(C)OC1CCCCCC1N Amb18323415 [0,1,0,1,0,0|2,0,0]=4 2416 B13R1.527 CCC(O)CN1CCCCCC1C Amb28456646 [0,1,0,1,0,0|2,0,0]=4 2417 B13R1.527 CCS(=O)NC1CCCCCC1O Amb28195269 [0,1,0,1,0,0|2,0,0]=4 2418 B13R1.527 CC[C@H](O)CN1CCCCCC1C Amb27834082 [0,1,0,1,0,0|2,0,0]=4 2419 B13R1.528 CC1CCCCC1NCC(O)CF Amb33495507 [0,1,0,1,0,0|2,0,0]=4 2420 B13R1.528 CCC(=O)NCC1CCCCC1O Amb28321161 [0,1,0,1,0,0|1,0,1]=4 2421 B13R1.528 CCC(C)CNC1CCCCC1C Amb6641900 [0,1,0,1,0,0|2,0,0]=4 2422 B13R1.528 CCC(C)CNC1CCCCC1O Amb19069580 [0,1,0,1,0,0|1,0,0]=3 2423 B13R1.546 C=C(CO)C1CCCCCCC1O Amb27980544 [0,1,0,1,0,0|1,0,1]=4 2424 B13R1.546 C=C(CO)[C@H]1CCCCCC[C@@H]1O Amb27452361 [0,1,0,1,0,0|1,0,1]=4 2425 B13R1.546 C=C(CO)[C@H]1CCCCCC[C@H]1O Amb27652951 [0,1,0,1,0,0|1,0,1]=4 2426 B13R1.546 CCC(O)C1CCCCCCC1=O Amb28455106 [0,1,0,1,0,0|0,0,2]=4 2427 B13R1.546 CCS(=O)C1CCCCCCC1N Amb27446435 [0,1,0,1,0,0|2,0,0]=4 2428 B13R1.546 COC(=O)C1CCCCCC[C@@H]1O Amb27593953 [0,1,0,1,0,0|1,0,1]=4 2429 B13R1.611 CC(CN)N1CCCCCC1CO Amb27415063 [0,1,0,1,0,0|2,0,0]=4 2430 B13R1.611 CCC(=O)C1CCCCCC1CC Amb35725694 [0,1,0,1,0,0|1,0,1]=4 2431 B13R1.611 CCC(Br)C1CCCCCC1CC Amb35721292 [0,1,0,1,0,0|1,0,0]=3 2432 B13R1.611 CCC(C)C1CCCCCC1CN Amb28136258 [0,1,0,1,0,0|1,0,0]=3 2433 B13R1.611 CCC(C)C1CCCCCC1NC Amb27258635 [0,1,0,1,0,0|2,0,0]=4 2434 B13R1.611 CCC(C)N1CCCCCC1CC Amb27775703 [0,1,0,1,0,0|2,0,0]=4 2435 B13R1.611 CCC(C)N1CCCCCC1CO Amb27415027 [0,1,0,1,0,0|1,0,0]=3 2436 B13R1.611 CCC(Cl)C1CCCCCC1CC Amb35721291 [0,1,0,1,0,0|1,0,0]=3 2437 B13R1.611 CCC(N)C1CCCCCC1CC Amb35671755 [0,1,0,1,0,0|1,0,0]=3 2438 B13R1.611 CCC(O)C1CCCCCC1CC Amb35672752 [0,1,0,1,0,0|1,0,0]=3 2439 B13R1.611 CCC1CCCCCC1C(C)NC Amb35671756 [0,1,0,1,0,0|2,0,0]=4 2440 B13R1.611 CCS(=O)C1CCCCCC1CN Amb28398663 [0,1,0,1,0,0|2,0,0]=4 2441 B13R1.718 NC(CO)CCCN1CCOCC1 Amb33327042 [0,1,0,1,0,0|2,0,0]=4 2442 B13R1.1689 NCC(O)C1CCCCCCCC1 Amb27598067 [0,1,0,1,0,0|1,0,0]=3 2443 B13R1.1711 CC(CN)CCN1CCCCCC1 Amb17335713 [0,1,0,1,0,0|2,0,0]=4 2444 B13R1.1711 CC(CN)CNC1CCCCCC1 Amb5751513 [0,1,0,1,0,0|2,0,0]=4 2445 B13R1.1711 CCC(C)CNC1CCCCCC1 Amb6619127 [0,1,0,1,0,0|2,0,0]=4 2446 B13R1.1711 NCC(O)CNC1CCCCCC1 Amb18564402 [0,1,0,1,0,0|2,0,0]=4 2447 B13R1.1711 OC(CF)CNC1CCCCCC1 Amb33495508 [0,1,0,1,0,0|2,0,0]=4 2448 B13R1.1870 CC(CBr)CN1CCCCCCC1 Amb27602847 [0,1,0,1,0,0|2,0,0]=4 2449 B13R1.1870 CC(CO)NC1CCCCCCC1 Amb9359857 [0,1,0,1,0,0|1,0,0]=3 2450 B13R1.1870 CC(CS)CN1CCCCCCC1 Amb28349918 [0,1,0,1,0,0|1,1,0]=4 2451 B13R1.1870 CCC(C)NC1CCCCCCC1 Amb6685787 [0,1,0,1,0,0|2,0,0]=4 2452 B13R1.1870 CCN(C)CC1CCCCCCC1 Amb28400662 [0,1,0,1,0,0|2,0,0]=4 2453 B13R1.1870 CC[C@H](N)CN1CCCCCCC1 Amb27769018 [0,1,0,1,0,0|2,0,0]=4 2454 B13R1.1870 NCC(O)CN1CCCCCCC1 Amb6750326 [0,1,0,1,0,0|2,0,0]=4 2455 B13R1.1870 O=C(CO)NC1CCCCCCC1 Amb5798096 [0,1,0,1,0,0|1,0,1]=4 2456 B13R1.1870 O=C(CO)OC1CCCCCCC1 Amb28249413 [0,1,0,1,0,0|1,0,1]=4 2457 B13R1.1870 OC(CF)CN1CCCCCCC1 Amb24582967 [0,1,0,1,0,0|2,0,0]=4 2458 B13R1.3115 NC1(CO)CCCCCCCCC1 Amb27394230 [0,1,0,1,0,0|0,0,0]=2 2459 B13R1.3115 NCC1(O)CCCCCCCCC1 Amb25743744 [0,1,0,1,0,0|1,0,0]=3 2460 B13R1.3819 CC1C(=O)OCCCCCCC1O Amb27661174 [0,1,0,1,0,0|1,0,1]=4 2461 B13R2.1 CCCN1CC[C@H]2CCCC[C@H]21 Amb27475470 [0,0,0,2,0,0|2,0,0]=4 2462 B13R2.1 FCCN1CCC2CCCCC21 Amb27664954 [0,0,0,2,0,0|2,0,0]=4 2463 B13R2.1 FCCN1CC[C@H]2CCCC[C@H]21 Amb28321202 [0,0,0,2,0,0|2,0,0]=4 2464 B13R2.1 NCCC1CCN2CCCCC12 Amb18826273 [0,0,0,2,0,0|2,0,0]=4 2465 B13R2.1 OCCC1CCC2CCCCC12 Amb27462630 [0,0,0,2,0,0|0,0,0]=2 2466 B13R2.1 OCCC1CNC2CCCCC12 Amb26371944 [0,0,0,2,0,0|1,0,0]=3 2467 B13R2.1 OCCC1CO[C@@H]2CCCC[C@H]12 Amb27422244 [0,0,0,2,0,0|1,0,0]=3 2468 B13R2.1 SCCN1CC[C@@H]2CCCC[C@@H]21 Amb28367461 [0,0,0,2,0,0|1,1,0]=4 2469 B13R2.3 C1=C(C2CCCCC2)CCCC1 Amb17673647 [0,0,0,2,0,0|1,0,1]=4 2470 B13R2.3 C1CC(C2COCCO2)CCN1 Amb24364592 [0,0,0,2,0,0|2,0,0]=4 2471 B13R2.3 C1CC(C2COCCO2)CCN1 Amb32719281 [0,0,0,2,0,0|2,0,0]=4 2472 B13R2.3 C1CCC(C2=NCCCC2)CC1 Amb28436824 [0,0,0,2,0,0|1,0,1]=4 2473 B13R2.3 C1CCC(C2CCCCC2)CC1 Amb6357182 [0,0,0,2,0,0|1,0,0]=3 2474 B13R2.3 C1CCC(C2CCCCN2)CC1 Amb10068916 [0,0,0,2,0,0|1,0,0]=3 2475 B13R2.3 C1CCC(C2CCCCN2)CC1 Amb2234934 [0,0,0,2,0,0|1,0,0]=3 2476 B13R2.3 C1CCC(C2CCCCN2)CC1 Amb2237212 [0,0,0,2,0,0|1,0,0]=3 2477 B13R2.3 C1CCC(C2CCCCN2)NC1 Amb15690622 [0,0,0,2,0,0|2,0,0]=4 2478 B13R2.3 C1CCC(C2CCCCN2)NC1 Amb4057701 [0,0,0,2,0,0|2,0,0]=4 2479 B13R2.3 C1CCC(C2CCCCO2)NC1 Amb26595528 [0,0,0,2,0,0|1,0,0]=3 2480 B13R2.3 C1CCC(C2CCCCO2)OC1 Amb4007486 [0,0,0,2,0,0|1,0,0]=3 2481 B13R2.3 C1CCC(C2CCCNC2)CC1 Amb10068919 [0,0,0,2,0,0|2,0,0]=4 2482 B13R2.3 C1CCC(C2CCCNC2)CC1 Amb33548025 [0,0,0,2,0,0|2,0,0]=4 2483 B13R2.3 C1CCC(C2CCCNC2)NC1 Amb17594224 [0,0,0,2,0,0|2,0,0]=4 2484 B13R2.3 C1CCC(C2CCCNC2)OC1 Amb25377354 [0,0,0,2,0,0|1,0,0]=3 2485 B13R2.3 C1CCC(C2CCCNC2)OC1 Amb28775459 [0,0,0,2,0,0|1,0,0]=3 2486 B13R2.3 C1CCC(C2CCCOC2)NC1 Amb25915515 [0,0,0,2,0,0|2,0,0]=4 2487 B13R2.3 C1CCC(C2CCCSC2)NC1 Amb32726326 [0,0,0,2,0,0|2,0,0]=4 2488 B13R2.3 C1CCC(C2CCNCC2)CC1 Amb10068920 [0,0,0,2,0,0|2,0,0]=4 2489 B13R2.3 C1CCC(C2CCNCC2)CC1 Amb33527328 [0,0,0,2,0,0|2,0,0]=4 2490 B13R2.3 C1CCC(C2CCNCC2)NC1 Amb24743570 [0,0,0,2,0,0|2,0,0]=4 2491 B13R2.3 C1CCC(C2CCNCC2)OC1 Amb26442428 [0,0,0,2,0,0|1,0,0]=3 2492 B13R2.3 C1CCC(C2CCOCC2)NC1 Amb24566959 [0,0,0,2,0,0|2,0,0]=4 2493 B13R2.3 C1CCC(C2CNCCN2)CC1 Amb18647082 [0,0,0,2,0,0|2,0,0]=4 2494 B13R2.3 C1CCC(C2CNCCO2)CC1 Amb22236078 [0,0,0,2,0,0|1,0,0]=3 2495 B13R2.3 C1CCC(C2CNCCO2)CC1 Amb33803990 [0,0,0,2,0,0|1,0,0]=3 2496 B13R2.3 C1CCC(C2CNCCO2)OC1 Amb29875916 [0,0,0,2,0,0|2,0,0]=4 2497 B13R2.3 C1CCC(C2COCCN2)CC1 Amb18563913 [0,0,0,2,0,0|2,0,0]=4 2498 B13R2.3 C1CCC(C2COCCN2)OC1 Amb33377388 [0,0,0,2,0,0|2,0,0]=4 2499 B13R2.3 C1CCC(C2NCCCS2)OC1 Amb35637953 [0,0,0,2,0,0|2,0,0]=4 2500 B13R2.3 C1CCC(N2CCCCC2)CC1 Amb4010020 [0,0,0,2,0,0|2,0,0]=4 2501 B13R2.3 C1CCC(N2CCCCN2)CC1 Amb27856288 [0,0,0,2,0,0|2,0,0]=4 2502 B13R2.3 C1CCC([C@@H]2CCCCN2)CC1 Amb28048424 [0,0,0,2,0,0|1,0,0]=3 2503 B13R2.3 C1CCC([C@H]2CNCCN2)CC1 Amb27493127 [0,0,0,2,0,0|2,0,0]=4 2504 B13R2.3 C1CCC([C@H]2COCCN2)CC1 Amb24657314 [0,0,0,2,0,0|2,0,0]=4 2505 B13R2.3 C1CCN(C2CCNCC2)OC1 Amb27970613 [0,0,0,2,0,0|2,0,0]=4 2506 B13R2.3 C1CC[C@@H]([C@@H]2CCCCN2)NC1 Amb27420005 [0,0,0,2,0,0|2,0,0]=4 2507 B13R2.3 C1CC[C@@H]([C@H]2CCCNC2)NC1 Amb27646664 [0,0,0,2,0,0|2,0,0]=4 2508 B13R2.3 C1CC[C@H]([C@H]2CCCCN2)NC1 Amb27446569 [0,0,0,2,0,0|2,0,0]=4 2509 B13R2.3 C1CNCC(C2COCCO2)C1 Amb33133831 [0,0,0,2,0,0|2,0,0]=4 2510 B13R2.3 C1COC(C2CCNCC2)OC1 Amb17506096 [0,0,0,2,0,0|2,0,0]=4 2511 B13R2.3 C1COC(C2CCOCC2)CN1 Amb24709970 [0,0,0,2,0,0|2,0,0]=4 2512 B13R2.3 C1COC(C2CCOCC2)CN1 Amb35789222 [0,0,0,2,0,0|2,0,0]=4 2513 B13R2.3 C1COCC(C2CNCCO2)C1 Amb24485461 [0,0,0,2,0,0|2,0,0]=4 2514 B13R2.3 C1CSCC(C2CNCCO2)C1 Amb32726321 [0,0,0,2,0,0|2,0,0]=4 2515 B13R2.6 BrCC1CCCC12CCCCC2 Amb25773006 [0,0,0,2,0,0|1,0,0]=3 2516 B13R2.6 BrCC1CCCC12CCCOC2 Amb33494151 [0,0,0,2,0,0|2,0,0]=4 2517 B13R2.6 BrCC1CCCC12CCOCC2 Amb26876986 [0,0,0,2,0,0|2,0,0]=4 2518 B13R2.6 CCC1COCC12CNCCO2 Amb35635601 [0,0,0,2,0,0|2,0,0]=4 2519 B13R2.6 CCN1CCCC12CCCCC2 Amb28398726 [0,0,0,2,0,0|2,0,0]=4 2520 B13R2.6 ClCC1CCCC12CCCCC2 Amb27666093 [0,0,0,2,0,0|1,0,0]=3 2521 B13R2.6 ClCC1CCCC12CCCOC2 Amb33494168 [0,0,0,2,0,0|2,0,0]=4 2522 B13R2.6 ClCC1CCCC12CCOCC2 Amb25079360 [0,0,0,2,0,0|2,0,0]=4 2523 B13R2.6 ICC1OCCC12CCCCC2 Amb33277132 [0,0,0,2,0,0|2,0,0]=4 2524 B13R2.6 NCC1CCCC12CCCCC2 Amb27259905 [0,0,0,2,0,0|1,0,0]=3 2525 B13R2.6 NCC1CCCC12CCCOC2 Amb33494085 [0,0,0,2,0,0|2,0,0]=4 2526 B13R2.6 NCC1CCCC12CCOCC2 Amb25822739 [0,0,0,2,0,0|2,0,0]=4 2527 B13R2.6 NCC1CCCC12OCCCO2 Amb18063742 [0,0,0,2,0,0|2,0,0]=4 2528 B13R2.6 NCC1CCOC12CCCCC2 Amb32990648 [0,0,0,2,0,0|2,0,0]=4 2529 B13R2.6 NCC1OCCC12CCCCC2 Amb33276872 [0,0,0,2,0,0|2,0,0]=4 2530 B13R2.6 O=CC1CCCC12CCCCC2 Amb27984133 [0,0,0,2,0,0|0,0,2]=4 2531 B13R2.6 OCC1CCCC12CCCCC2 Amb24415504 [0,0,0,2,0,0|0,0,0]=2 2532 B13R2.6 OCC1CCCC12CCCOC2 Amb33494133 [0,0,0,2,0,0|1,0,0]=3 2533 B13R2.6 OCC1CCCC12CCOCC2 Amb26519573 [0,0,0,2,0,0|1,0,0]=3 2534 B13R2.6 OCC1CNCC12CCOCC2 Amb32904294 [0,0,0,2,0,0|2,0,0]=4 2535 B13R2.6 OCC1CNCC12CCOCC2 Amb33330111 [0,0,0,2,0,0|2,0,0]=4 2536 B13R2.6 ONC1CCCC12CCCCC2 Amb27944488 [0,0,0,2,0,0|1,0,0]=3 2537 B13R2.14 CC1CCCCC12CCCNC2 Amb27231161 [0,0,0,2,0,0|2,0,0]=4 2538 B13R2.14 CC1CCCCC12NCCCO2 Amb27758775 [0,0,0,2,0,0|1,0,0]=3 2539 B13R2.14 CC1CCNCC12CCCCC2 Amb27875883 [0,0,0,2,0,0|2,0,0]=4 2540 B13R2.14 CC1COCCC12CNCCO2 Amb27165659 [0,0,0,2,0,0|2,0,0]=4 2541 B13R2.14 C[C@@H]1CCCC[C@@]12NCCCO2 Amb27862510 [0,0,0,2,0,0|1,0,0]=3 2542 B13R2.14 ClC1CCCCC12OCCCO2 Amb27663894 [0,0,0,2,0,0|2,0,0]=4 2543 B13R2.14 NC1CCCCC12CCCCC2 Amb27878799 [0,0,0,2,0,0|1,0,0]=3 2544 B13R2.14 NC1CCCCC12CCCCC2 Amb35788219 [0,0,0,2,0,0|1,0,0]=3 2545 B13R2.14 NC1CCOCC12CCCCC2 Amb26905959 [0,0,0,2,0,0|2,0,0]=4 2546 B13R2.14 NC1CCOCC12CCCCC2 Amb32826114 [0,0,0,2,0,0|2,0,0]=4 2547 B13R2.14 O=C1CCCCC12CCCCC2 Amb28250100 [0,0,0,2,0,0|0,0,2]=4 2548 B13R2.14 O=C1CCCCC12CCCCO2 Amb32655154 [0,0,0,2,0,0|1,0,1]=4 2549 B13R2.14 OC1CCCCC12CCCCN2 Amb28422402 [0,0,0,2,0,0|1,0,0]=3 2550 B13R2.14 OC1CCCCC12CCCNC2 Amb18647219 [0,0,0,2,0,0|1,0,0]=3 2551 B13R2.14 OC1CCCCC12OCCCO2 Amb28126984 [0,0,0,2,0,0|2,0,0]=4 2552 B13R2.14 OC1CCCC[C@]12CCCNC2 Amb27402695 [0,0,0,2,0,0|1,0,0]=3 2553 B13R2.14 OC1CCCOC12CCNCC2 Amb22233184 [0,0,0,2,0,0|2,0,0]=4 2554 B13R2.14 OC1CCCOC12CCOCC2 Amb33620354 [0,0,0,2,0,0|2,0,0]=4 2555 B13R2.14 OC1CCNCC12CCCCC2 Amb18825873 [0,0,0,2,0,0|1,0,0]=3 2556 B13R2.14 OC1CCNCC12CCCOC2 Amb18198551 [0,0,0,2,0,0|2,0,0]=4 2557 B13R2.14 OC1CCNCC12CCCSC2 Amb18821320 [0,0,0,2,0,0|2,0,0]=4 2558 B13R2.14 OC1CCNCC12CCOCC2 Amb18198552 [0,0,0,2,0,0|2,0,0]=4 2559 B13R2.14 OC1CCNCC12CCOCC2 Amb33742929 [0,0,0,2,0,0|2,0,0]=4 2560 B13R2.14 OC1CCNCC12CCSCC2 Amb18821319 [0,0,0,2,0,0|2,0,0]=4 2561 B13R2.14 OC1CCOCC12CCCOC2 Amb18198279 [0,0,0,2,0,0|2,0,0]=4 2562 B13R2.14 O[C@@H]1CCCC[C@@]12CCCNC2 Amb24629733 [0,0,0,2,0,0|1,0,0]=3 2563 B13R2.14 O[C@H]1CCCCC12CCCNC2 Amb27407111 [0,0,0,2,0,0|1,0,0]=3 2564 B13R2.14 O[C@H]1CCCC[C@@]12CCCNC2 Amb28383910 [0,0,0,2,0,0|1,0,0]=3 2565 B13R2.14 O[C@H]1CCCOC12CCNCC2 Amb30529741 [0,0,0,2,0,0|2,0,0]=4 2566 B13R2.14 O[C@H]1CCCO[C@@]12CCCNC2 Amb28057559 [0,0,0,2,0,0|2,0,0]=4 2567 B13R2.15 BrC1COCC1C2CCCCC2 Amb29877861 [0,0,0,2,0,0|2,0,0]=4 2568 B13R2.15 CC1CCCC1N2CCCCC2 Amb27448692 [0,0,0,2,0,0|2,0,0]=4 2569 B13R2.15 CC1CCNC1C2CCCCO2 Amb35742223 [0,0,0,2,0,0|1,0,0]=3 2570 B13R2.15 CC1CNCC1C2CCCCC2 Amb27976184 [0,0,0,2,0,0|2,0,0]=4 2571 B13R2.15 CC1CNCC1C2CCCCO2 Amb35637966 [0,0,0,2,0,0|1,0,0]=3 2572 B13R2.15 CC1NCCC1C2CCCCO2 Amb35637959 [0,0,0,2,0,0|1,0,0]=3 2573 B13R2.15 CC1OCCC1C2CCCCN2 Amb33427709 [0,0,0,2,0,0|2,0,0]=4 2574 B13R2.15 CC1OCCC1C2CNCCO2 Amb33225344 [0,0,0,2,0,0|2,0,0]=4 2575 B13R2.15 CN1CCCC1C2CCCCN2 Amb18826251 [0,0,0,2,0,0|2,0,0]=4 2576 B13R2.15 C[C@@H]1CCN[C@H]1C2CCCCC2 Amb18826820 [0,0,0,2,0,0|2,0,0]=4 2577 B13R2.15 C[C@H]1CCN[C@@H]1C2CCCCC2 Amb27420239 [0,0,0,2,0,0|2,0,0]=4 2578 B13R2.15 ClC1CCCC1C2CCOCC2 Amb27471552 [0,0,0,2,0,0|2,0,0]=4 2579 B13R2.15 ClC1COCC1C2CCCCC2 Amb35736826 [0,0,0,2,0,0|2,0,0]=4 2580 B13R2.15 FC1CCNC1C2CCCCC2 Amb28135532 [0,0,0,2,0,0|2,0,0]=4 2581 B13R2.15 NC1CCCC1C2CCCCN2 Amb27651960 [0,0,0,2,0,0|2,0,0]=4 2582 B13R2.15 NC1CCCC1C2CCCOC2 Amb27207108 [0,0,0,2,0,0|2,0,0]=4 2583 B13R2.15 NC1CCCC1C2CCOCC2 Amb27644948 [0,0,0,2,0,0|2,0,0]=4 2584 B13R2.15 NC1CCOC1C2CCCCO2 Amb35584013 [0,0,0,2,0,0|2,0,0]=4 2585 B13R2.15 NC1CNCC1C2CCCCC2 Amb33071695 [0,0,0,2,0,0|2,0,0]=4 2586 B13R2.15 NC1COCC1C2CCCCC2 Amb35608390 [0,0,0,2,0,0|2,0,0]=4 2587 B13R2.15 NN1CCCC1C2CCCCC2 Amb25303091 [0,0,0,2,0,0|2,0,0]=4 2588 B13R2.15 N[C@@H]1CCC[C@H]1N2CCCCC2 Amb24678114 [0,0,0,2,0,0|2,0,0]=4 2589 B13R2.15 OC1CCCC1C2=CCCCC2 Amb32944892 [0,0,0,2,0,0|0,0,2]=4 2590 B13R2.15 OC1CCCC1C2CCCCC2 Amb18799275 [0,0,0,2,0,0|0,0,0]=2 2591 B13R2.15 OC1CCCC1C2CCCCN2 Amb26917051 [0,0,0,2,0,0|1,0,0]=3 2592 B13R2.15 OC1CCCC1C2CCOCC2 Amb28365628 [0,0,0,2,0,0|1,0,0]=3 2593 B13R2.15 OC1CCCC1C2COCCN2 Amb28253343 [0,0,0,2,0,0|2,0,0]=4 2594 B13R2.15 OC1CCCC1N2CCNCC2 Amb18278362 [0,0,0,2,0,0|2,0,0]=4 2595 B13R2.15 OC1CCCC1N2CCOCC2 Amb8629650 [0,0,0,2,0,0|2,0,0]=4 2596 B13R2.15 OC1CCNC1C2CCCNC2 Amb18825549 [0,0,0,2,0,0|2,0,0]=4 2597 B13R2.15 OC1CCNC1C2CCOCC2 Amb18198534 [0,0,0,2,0,0|2,0,0]=4 2598 B13R2.15 OC1CCNC1C2CCSCC2 Amb18821313 [0,0,0,2,0,0|2,0,0]=4 2599 B13R2.15 OC1CNCC1C2CCCCC2 Amb27203079 [0,0,0,2,0,0|1,0,0]=3 2600 B13R2.15 OC1CNCC1C2CCCCN2 Amb32950284 [0,0,0,2,0,0|2,0,0]=4 2601 B13R2.15 OC1CNCC1C2CCOCC2 Amb33212930 [0,0,0,2,0,0|2,0,0]=4 2602 B13R2.15 OC1CNCC1N2CCCCC2 Amb23399542 [0,0,0,2,0,0|2,0,0]=4 2603 B13R2.15 OC1CNCC1N2CCCCC2 Amb26330326 [0,0,0,2,0,0|2,0,0]=4 2604 B13R2.15 OC1COCC1C2CCCCC2 Amb32945576 [0,0,0,2,0,0|1,0,0]=3 2605 B13R2.15 OC1COCC1C2CCCCN2 Amb32950387 [0,0,0,2,0,0|2,0,0]=4 2606 B13R2.15 OC1COCC1C2CCOCC2 Amb32945353 [0,0,0,2,0,0|2,0,0]=4 2607 B13R2.15 OC1COCC1N2CCCCC2 Amb28347811 [0,0,0,2,0,0|2,0,0]=4 2608 B13R2.15 OC1CSCC1C2CCOCC2 Amb27251784 [0,0,0,2,0,0|2,0,0]=4 2609 B13R2.15 OC1OCOC1C2CCCCC2 Amb24608877 [0,0,0,2,0,0|2,0,0]=4 2610 B13R2.15 O[C@@H]1CCC[C@H]1C2=CCCCC2 Amb32950115 [0,0,0,2,0,0|0,0,2]=4 2611 B13R2.15 O[C@@H]1CCC[C@H]1C2CCCCC2 Amb25261897 [0,0,0,2,0,0|0,0,0]=2 2612 B13R2.15 O[C@@H]1CCC[C@H]1C2CCCCN2 Amb32944184 [0,0,0,2,0,0|1,0,0]=3 2613 B13R2.15 O[C@@H]1CCC[C@H]1C2CCOCC2 Amb33212843 [0,0,0,2,0,0|1,0,0]=3 2614 B13R2.15 O[C@@H]1CCC[C@H]1N2CCCCC2 Amb16230283 [0,0,0,2,0,0|1,0,0]=3 2615 B13R2.15 O[C@@H]1CCC[C@H]1N2CCNCC2 Amb24584799 [0,0,0,2,0,0|2,0,0]=4 2616 B13R2.15 O[C@@H]1CCC[C@H]1N2CCOCC2 Amb24464107 [0,0,0,2,0,0|2,0,0]=4 2617 B13R2.15 O[C@@H]1CNC[C@@H]1N2CCCCC2 Amb35665259 [0,0,0,2,0,0|2,0,0]=4 2618 B13R2.15 O[C@@H]1CNC[C@H]1C2CCCCC2 Amb26025348 [0,0,0,2,0,0|1,0,0]=3 2619 B13R2.15 O[C@@H]1CNC[C@H]1C2CCCCN2 Amb32945040 [0,0,0,2,0,0|2,0,0]=4 2620 B13R2.15 O[C@@H]1CNC[C@H]1C2CCOCC2 Amb32945097 [0,0,0,2,0,0|2,0,0]=4 2621 B13R2.15 O[C@@H]1CNC[C@H]1N2CCCCC2 Amb22748753 [0,0,0,2,0,0|2,0,0]=4 2622 B13R2.15 O[C@@H]1CNC[C@H]1N2CCCCC2 Amb30526940 [0,0,0,2,0,0|2,0,0]=4 2623 B13R2.15 O[C@@H]1COC[C@H]1C2CCCCC2 Amb32944826 [0,0,0,2,0,0|1,0,0]=3 2624 B13R2.15 O[C@@H]1COC[C@H]1C2CCCCN2 Amb33213350 [0,0,0,2,0,0|2,0,0]=4 2625 B13R2.15 O[C@@H]1COC[C@H]1C2CCOCC2 Amb32945005 [0,0,0,2,0,0|2,0,0]=4 2626 B13R2.15 O[C@@H]1COC[C@H]1N2CCCCC2 Amb26888587 [0,0,0,2,0,0|2,0,0]=4 2627 B13R2.15 O[C@H]1CNC[C@@H]1N2CCCCC2 Amb10608239 [0,0,0,2,0,0|2,0,0]=4 2628 B13R2.15 SC1CCCC1C2CCCCN2 Amb32788773 [0,0,0,2,0,0|1,1,0]=4 2629 B13R2.17 CC1CC1CNC2CCCCC2 Amb18289856 [0,0,0,2,0,0|2,0,0]=4 2630 B13R2.17 CC1CC1NCC2CCCCC2 Amb18990705 [0,0,0,2,0,0|2,0,0]=4 2631 B13R2.17 C[C@@H]1C[C@H]1NCC2CCCCC2 Amb28065032 [0,0,0,2,0,0|2,0,0]=4 2632 B13R2.17 NC1CC1CCC2CCCCC2 Amb27472355 [0,0,0,2,0,0|1,0,0]=3 2633 B13R2.20 CCNC1CCC12CCCCC2 Amb27450610 [0,0,0,2,0,0|2,0,0]=4 2634 B13R2.20 CNCC1CCC12CCCCC2 Amb30025764 [0,0,0,2,0,0|2,0,0]=4 2635 B13R2.20 NCCC1CCC12CCCCC2 Amb35619516 [0,0,0,2,0,0|1,0,0]=3 2636 B13R2.25 CNCC1CC1C2CCCCO2 Amb35581936 [0,0,0,2,0,0|1,0,0]=3 2637 B13R2.25 OCCC1CC1C2CCNCC2 Amb27244833 [0,0,0,2,0,0|1,0,0]=3 2638 B13R2.25 OCCC1OC1C2CCCCC2 Amb27826483 [0,0,0,2,0,0|1,0,0]=3 2639 B13R2.25 OCC[C@@H]1O[C@@H]1C2CCCCC2 Amb28194175 [0,0,0,2,0,0|1,0,0]=3 2640 B13R2.25 OCC[C@H]1O[C@@H]1C2CCCCC2 Amb27853833 [0,0,0,2,0,0|1,0,0]=3 2641 B13R2.27 CC1CCC1NC2CCCCC2 Amb28070162 [0,0,0,2,0,0|2,0,0]=4 2642 B13R2.27 CC1CCN1CC2CNCCO2 Amb28457936 [0,0,0,2,0,0|2,0,0]=4 2643 B13R2.27 NC1CCC1CC2CCCCC2 Amb28120862 [0,0,0,2,0,0|1,0,0]=3 2644 B13R2.27 NC1CCC1SC2CCCCO2 Amb27193035 [0,0,0,2,0,0|2,0,0]=4 2645 B13R2.27 N[C@@H]1CC[C@@H]1OC2CCCCC2 Amb33495623 [0,0,0,2,0,0|2,0,0]=4 2646 B13R2.27 OC1CCC1CC2CC=CCC2 Amb32950567 [0,0,0,2,0,0|0,0,2]=4 2647 B13R2.27 OC1CCC1CC2CCCCC2 Amb33213695 [0,0,0,2,0,0|0,0,0]=2 2648 B13R2.27 OC1CCC1CC2CCCOC2 Amb32944862 [0,0,0,2,0,0|1,0,0]=3 2649 B13R2.27 OC1CCC1CC2CCOCC2 Amb32944547 [0,0,0,2,0,0|1,0,0]=3 2650 B13R2.27 OC1CCC1NC2CCCCC2 Amb31199815 [0,0,0,2,0,0|1,0,0]=3 2651 B13R2.27 OC1CCC1OC2CCCCC2 Amb34930433 [0,0,0,2,0,0|1,0,0]=3 2652 B13R2.27 O[C@@H]1CC[C@H]1NC2CCCCC2 Amb28248937 [0,0,0,2,0,0|1,0,0]=3 2653 B13R2.27 O[C@@H]1CC[C@H]1NC2CCOCC2 Amb25994585 [0,0,0,2,0,0|2,0,0]=4 2654 B13R2.27 O[C@@H]1CC[C@H]1OC2CCCCC2 Amb31198050 [0,0,0,2,0,0|1,0,0]=3 2655 B13R2.40 O=CCCC1CC12CCCCC2 Amb27211173 [0,0,0,2,0,0|0,0,2]=4 2656 B13R2.40 OCCCC1CC12CCCCC2 Amb27646833 [0,0,0,2,0,0|0,0,0]=2 2657 B13R2.40 OCCCC1CC12CCCNC2 Amb27877017 [0,0,0,2,0,0|1,0,0]=3 2658 B13R2.40 OCCNC1CC12CCCCC2 Amb28254764 [0,0,0,2,0,0|1,0,0]=3 2659 B13R2.40 OCCNC1CC12CCOCC2 Amb28383830 [0,0,0,2,0,0|2,0,0]=4 2660 B13R2.50 CNC1CC1CC2CCCCC2 Amb27962660 [0,0,0,2,0,0|2,0,0]=4 2661 B13R2.50 NCC1CC1CC2CCCCC2 Amb26920385 [0,0,0,2,0,0|1,0,0]=3 2662 B13R2.50 NC[C@@H]1C[C@H]1CC2CCCCC2 Amb33422404 [0,0,0,2,0,0|1,0,0]=3 2663 B13R2.50 OCC1CC1NC2CCCSC2 Amb27755197 [0,0,0,2,0,0|2,0,0]=4 2664 B13R2.50 OCC1CC1NC2CCSCC2 Amb27406542 [0,0,0,2,0,0|2,0,0]=4 2665 B13R2.50 OC[C@@H]1C[C@H]1NC2CCCCC2 Amb27867593 [0,0,0,2,0,0|1,0,0]=3 2666 B13R2.50 OC[C@H]1O[C@@H]1CC2CCCCC2 Amb27420427 [0,0,0,2,0,0|1,0,0]=3 2667 B13R2.50 OC[C@H]1O[C@H]1CC2CCCCC2 Amb27197632 [0,0,0,2,0,0|1,0,0]=3 2668 B13R2.56 CCC1CNC1C2CCCCC2 Amb27786312 [0,0,0,2,0,0|2,0,0]=4 2669 B13R2.56 NCC1CCC1C2CCCOC2 Amb27831118 [0,0,0,2,0,0|2,0,0]=4 2670 B13R2.56 NCC1CCN1C2CCCCC2 Amb28129923 [0,0,0,2,0,0|2,0,0]=4 2671 B13R2.56 OCC1CCN1C2CCCCC2 Amb26943162 [0,0,0,2,0,0|1,0,0]=3 2672 B13R2.56 OCC1CCN1C2CCOCC2 Amb32671371 [0,0,0,2,0,0|2,0,0]=4 2673 B13R2.64 C1=C(CC2CCCCC2)CCC1 Amb27248712 [0,0,0,2,0,0|1,0,1]=4 2674 B13R2.64 C1CCC(CC2CCCC2)NC1 Amb18959764 [0,0,0,2,0,0|1,0,0]=3 2675 B13R2.64 C1CCC(CC2CCCC2)NC1 Amb35745594 [0,0,0,2,0,0|1,0,0]=3 2676 B13R2.64 C1CCC(CC2CCCN2)CC1 Amb3788199 [0,0,0,2,0,0|1,0,0]=3 2677 B13R2.64 C1CCC(CC2CCCN2)OC1 Amb27787356 [0,0,0,2,0,0|1,0,0]=3 2678 B13R2.64 C1CCC(CC2CCCNC2)C1 Amb18285006 [0,0,0,2,0,0|2,0,0]=4 2679 B13R2.64 C1CCC(CC2CCNC2)CC1 Amb21959201 [0,0,0,2,0,0|2,0,0]=4 2680 B13R2.64 C1CCC(CC2CCNC2)OC1 Amb27881131 [0,0,0,2,0,0|1,0,0]=3 2681 B13R2.64 C1CCC(CC2CCNCC2)C1 Amb18959765 [0,0,0,2,0,0|2,0,0]=4 2682 B13R2.64 C1CCC(CC2CCNCC2)C1 Amb33849893 [0,0,0,2,0,0|2,0,0]=4 2683 B13R2.64 C1CCC(CC2CNCCN2)C1 Amb32687588 [0,0,0,2,0,0|2,0,0]=4 2684 B13R2.64 C1CCC(CC2CNCCO2)C1 Amb21965100 [0,0,0,2,0,0|1,0,0]=3 2685 B13R2.64 C1CCC(CC2CNCCO2)C1 Amb32411938 [0,0,0,2,0,0|1,0,0]=3 2686 B13R2.64 C1CCC(CC2COCCN2)C1 Amb25675564 [0,0,0,2,0,0|2,0,0]=4 2687 B13R2.64 C1CCC(CC2OCCO2)CC1 Amb6306166 [0,0,0,2,0,0|1,0,0]=3 2688 B13R2.64 C1CCC(CN2CCCC2)CC1 Amb17232658 [0,0,0,2,0,0|2,0,0]=4 2689 B13R2.64 C1CCC(CN2CCCC2)NC1 Amb21958062 [0,0,0,2,0,0|2,0,0]=4 2690 B13R2.64 C1CCC(CN2CCCC2)NC1 Amb9723643 [0,0,0,2,0,0|2,0,0]=4 2691 B13R2.64 C1CCC(CN2CCCN2)CC1 Amb27222730 [0,0,0,2,0,0|2,0,0]=4 2692 B13R2.64 C1CCC(CN2CCCN2)OC1 Amb27976262 [0,0,0,2,0,0|2,0,0]=4 2693 B13R2.64 C1CCC(CN2CCCO2)CC1 Amb27595418 [0,0,0,2,0,0|1,0,0]=3 2694 B13R2.64 C1CCC(NC2CCCC2)CC1 Amb17622429 [0,0,0,2,0,0|2,0,0]=4 2695 B13R2.64 C1CCC(NC2CCCC2)CC1 Amb6686274 [0,0,0,2,0,0|2,0,0]=4 2696 B13R2.64 C1CCC(OC2CCCO2)CC1 Amb22752555 [0,0,0,2,0,0|1,0,0]=3 2697 B13R2.64 C1CCC(OC2CCCO2)OC1 Amb25327570 [0,0,0,2,0,0|2,0,0]=4 2698 B13R2.64 C1CCC(OC2CCNC2)OC1 Amb5560857 [0,0,0,2,0,0|2,0,0]=4 2699 B13R2.64 C1CCC(O[C@@H]2CCNC2)OC1 Amb26595261 [0,0,0,2,0,0|2,0,0]=4 2700 B13R2.64 C1CCC(O[C@H]2CCNC2)OC1 Amb22748243 [0,0,0,2,0,0|2,0,0]=4 2701 B13R2.64 C1CCN(CC2CCCC2)CC1 Amb17232657 [0,0,0,2,0,0|2,0,0]=4 2702 B13R2.64 C1CCN(CC2CCCN2)CC1 Amb21957943 [0,0,0,2,0,0|2,0,0]=4 2703 B13R2.64 C1CCN(CC2CCCN2)CC1 Amb2234474 [0,0,0,2,0,0|2,0,0]=4 2704 B13R2.64 C1CCN(CC2CCCO2)CC1 Amb24493098 [0,0,0,2,0,0|1,0,0]=3 2705 B13R2.64 C1CCN(CC2CNCCO2)C1 Amb22756358 [0,0,0,2,0,0|2,0,0]=4 2706 B13R2.64 C1CCN(CC2CNCCO2)C1 Amb7659244 [0,0,0,2,0,0|2,0,0]=4 2707 B13R2.64 C1CCN(C[C@@H]2CCCN2)CC1 Amb24077503 [0,0,0,2,0,0|2,0,0]=4 2708 B13R2.64 C1CCN(C[C@@H]2CCCN2)CC1 Amb5782215 [0,0,0,2,0,0|2,0,0]=4 2709 B13R2.64 C1CCN(C[C@@H]2CNCCO2)C1 Amb27614538 [0,0,0,2,0,0|2,0,0]=4 2710 B13R2.64 C1CCN(C[C@H]2CCCN2)CC1 Amb24077522 [0,0,0,2,0,0|2,0,0]=4 2711 B13R2.64 C1CCN(C[C@H]2CCCN2)CC1 Amb28368996 [0,0,0,2,0,0|2,0,0]=4 2712 B13R2.64 C1CCN(C[C@H]2CNCCO2)C1 Amb33872521 [0,0,0,2,0,0|2,0,0]=4 2713 B13R2.64 C1CC[C@@H](OC2CCNC2)OC1 Amb24447013 [0,0,0,2,0,0|2,0,0]=4 2714 B13R2.64 C1CC[C@H](CC2OCCO2)NC1 Amb28436116 [0,0,0,2,0,0|2,0,0]=4 2715 B13R2.64 C1CC[C@H](CN2CCCC2)NC1 Amb28367864 [0,0,0,2,0,0|2,0,0]=4 2716 B13R2.64 C1CNC(CC2CCOCC2)C1 Amb24364982 [0,0,0,2,0,0|2,0,0]=4 2717 B13R2.64 C1CNCC(CC2CCCO2)C1 Amb21959216 [0,0,0,2,0,0|1,0,0]=3 2718 B13R2.64 C1CNCC(CC2CCCS2)C1 Amb33416881 [0,0,0,2,0,0|1,1,0]=4 2719 B13R2.64 C1CNCC(CN2CCCO2)C1 Amb28078192 [0,0,0,2,0,0|2,0,0]=4 2720 B13R2.64 C1CNCC(OC2CCCO2)C1 Amb33480352 [0,0,0,2,0,0|2,0,0]=4 2721 B13R2.64 C1COC(CC2CCNCC2)C1 Amb25135356 [0,0,0,2,0,0|1,0,0]=3 2722 B13R2.64 C1COC(CC2CNCCO2)C1 Amb32757459 [0,0,0,2,0,0|2,0,0]=4 2723 B13R2.64 C1COC(CC2CNCCO2)C1 Amb33338737 [0,0,0,2,0,0|2,0,0]=4 2724 B13R2.64 C1COC(CC2COCCN2)C1 Amb32680271 [0,0,0,2,0,0|2,0,0]=4 2725 B13R2.64 C1COC(CN2CCNCC2)C1 Amb1154234 [0,0,0,2,0,0|2,0,0]=4 2726 B13R2.64 C1COC(CN2CCNCC2)C1 Amb6891891 [0,0,0,2,0,0|2,0,0]=4 2727 B13R2.64 C1COC(OC2CCNCC2)C1 Amb33223381 [0,0,0,2,0,0|2,0,0]=4 2728 B13R2.64 C1COCC(CC2CCCN2)C1 Amb24409109 [0,0,0,2,0,0|2,0,0]=4 2729 B13R2.64 C1COCC(SC2CCCO2)C1 Amb27835762 [0,0,0,2,0,0|2,0,0]=4 2730 B13R2.64 C1CO[C@@H](CN2CCNCC2)C1 Amb26493266 [0,0,0,2,0,0|2,0,0]=4 2731 B13R2.64 C1CSC(CC2CCNCC2)C1 Amb33416215 [0,0,0,2,0,0|1,1,0]=4 2732 B13R2.64 C1CSCC(CC2CCCN2)C1 Amb32726312 [0,0,0,2,0,0|2,0,0]=4 2733 B13R2.67 C1CCCC2NCCCC2CC1 Amb6256261 [0,0,0,2,0,0|1,0,0]=3 2734 B13R2.67 C1CCCC2OCCNC2CC1 Amb9004255 [0,0,0,2,0,0|1,0,0]=3 2735 B13R2.67 C1CCN2CCCCC2CNC1 Amb17578191 [0,0,0,2,0,0|2,0,0]=4 2736 B13R2.256 OCCN1CCN2CCC1CC2 Amb25218579 [0,0,0,2,0,0|2,0,0]=4 2737 B13R2.510 BrCCCC1CC2CCC1CC2 Amb32690497 [0,0,0,2,0,0|1,0,0]=3 2738 B13R2.510 C=CCCC1CC2CCC1CC2 Amb35733801 [0,0,0,2,0,0|1,0,1]=4 2739 B13R2.510 CCCCN1CC2CCC1CN2 Amb28077121 [0,0,0,2,0,0|2,0,0]=4 2740 B13R2.510 CNCCC1CC2CCC1CC2 Amb35726258 [0,0,0,2,0,0|2,0,0]=4 2741 B13R2.510 ClCCCC1CC2CCC1CC2 Amb32690496 [0,0,0,2,0,0|1,0,0]=3 2742 B13R2.510 FCCCN1CC2CCC1CC2 Amb27399376 [0,0,0,2,0,0|2,0,0]=4 2743 B13R2.510 ICCCN1CC2CCC1CC2 Amb27178687 [0,0,0,2,0,0|2,0,0]=4 2744 B13R2.510 N#CCCC1CC2CCC1CC2 Amb35726264 [0,0,0,2,0,0|1,0,1]=4 2745 B13R2.510 NCCCC1CC2CCC1CC2 Amb35721814 [0,0,0,2,0,0|1,0,0]=3 2746 B13R2.510 NNCCC1CC2CCC1CC2 Amb35721711 [0,0,0,2,0,0|2,0,0]=4 2747 B13R2.510 O=CCCC1CC2CCC1CC2 Amb35726283 [0,0,0,2,0,0|0,0,2]=4 2748 B13R2.510 OCCCC1CC2C=CC1CC2 Amb32945195 [0,0,0,2,0,0|0,0,2]=4 2749 B13R2.510 OCCCC1CC2CCC1CC2 Amb32945570 [0,0,0,2,0,0|0,0,0]=2 2750 B13R2.510 OC\C=C\C1CC2CCC1CC2 Amb35615533 [0,0,0,2,0,0|0,0,2]=4 2751 B13R2.510 SCCCN1CC2CCC1CC2 Amb27405187 [0,0,0,2,0,0|1,1,0]=4 2752 B13R2.733 OCCN1CCN2CCCC1C2 Amb27861137 [0,0,0,2,0,0|2,0,0]=4 2753 B13R2.733 OCC[C@@H]1CO[C@@H]2C[C@H]1CCO2 Amb27432122 [0,0,0,2,0,0|2,0,0]=4 2754 B13R2.1028 FCCCN1CC2CCCCC21 Amb28370549 [0,0,0,2,0,0|2,0,0]=4 2755 B13R2.1028 OCCCN1C[C@H]2CCCC[C@H]21 Amb28047978 [0,0,0,2,0,0|1,0,0]=3 2756 B13R2.1613 BrCC1CCCN2CCCCC12 Amb22757815 [0,0,0,2,0,0|2,0,0]=4 2757 B13R2.1613 BrC[C@@H]1CCC[NH+]2CCCC[C@H]12 Amb4283714 [0,0,0,2,0,0|2,0,0]=4 2758 B13R2.1613 CCC1CCCC2NCCCC12 Amb33328511 [0,0,0,2,0,0|1,0,0]=3 2759 B13R2.1613 CCC1CCC[C@@H]2OCCN[C@H]12 Amb32720294 [0,0,0,2,0,0|1,0,0]=3 2760 B13R2.1613 CCC1CCNC2CCCCC12 Amb33295077 [0,0,0,2,0,0|2,0,0]=4 2761 B13R2.1613 CCC1CNCC2CCCCN12 Amb18826263 [0,0,0,2,0,0|2,0,0]=4 2762 B13R2.1613 CCC1NCCC2CCCCN21 Amb27425349 [0,0,0,2,0,0|2,0,0]=4 2763 B13R2.1613 CCC1NCCN2CCCCC12 Amb18826246 [0,0,0,2,0,0|2,0,0]=4 2764 B13R2.1613 CNC1CCCC2CCCCC21 Amb27391154 [0,0,0,2,0,0|2,0,0]=4 2765 B13R2.1613 CN[C@H]1CCC[C@H]2CCCC[C@H]12 Amb27789967 [0,0,0,2,0,0|2,0,0]=4 2766 B13R2.1613 ClCC1CCCN2CCCCC12 Amb2704599 [0,0,0,2,0,0|2,0,0]=4 2767 B13R2.1613 ClC[C@@H]1CCCN2CCCC[C@H]12 Amb19135721 [0,0,0,2,0,0|2,0,0]=4 2768 B13R2.1613 ClC[C@@H]1CCCN2CCCC[C@H]12 Amb533399 [0,0,0,2,0,0|2,0,0]=4 2769 B13R2.1613 NCC1CCCC2CCCNC12 Amb33232174 [0,0,0,2,0,0|2,0,0]=4 2770 B13R2.1613 NCC1CCCN2CCCCC12 Amb1101983 [0,0,0,2,0,0|2,0,0]=4 2771 B13R2.1613 NCC1CCCN2CCCCC12 Amb17622271 [0,0,0,2,0,0|2,0,0]=4 2772 B13R2.1613 NCC1CCCN2CCCCC12 Amb32412651 [0,0,0,2,0,0|2,0,0]=4 2773 B13R2.1613 NCC1CCCN2CCCC[C@H]12 Amb18826291 [0,0,0,2,0,0|2,0,0]=4 2774 B13R2.1613 NCC1NCCC2CCCCC21 Amb26929093 [0,0,0,2,0,0|2,0,0]=4 2775 B13R2.1613 NC[C@@H]1CCCN2CCCCC12 Amb24343311 [0,0,0,2,0,0|2,0,0]=4 2776 B13R2.1613 NC[C@@H]1CCCN2CCCC[C@H]12 Amb1047324 [0,0,0,2,0,0|2,0,0]=4 2777 B13R2.1613 NC[C@@H]1CCCN2CCCC[C@H]12 Amb19135543 [0,0,0,2,0,0|2,0,0]=4 2778 B13R2.1613 NC[C@@H]1CCCN2CCCC[C@H]12 Amb1981145 [0,0,0,2,0,0|2,0,0]=4 2779 B13R2.1613 O=C[C@@H]1CCC[C@H]2CCCC[C@H]12 Amb28255713 [0,0,0,2,0,0|0,0,2]=4 2780 B13R2.1613 OCC1=C2CCCCC2CCC1 Amb27770889 [0,0,0,2,0,0|0,0,2]=4 2781 B13R2.1613 OCC1CCCC2CCCCC12 Amb27805191 [0,0,0,2,0,0|0,0,0]=2 2782 B13R2.1613 OCC1CCCC2CCCCN12 Amb25938044 [0,0,0,2,0,0|1,0,0]=3 2783 B13R2.1613 OCC1CCCC2CNCCN12 Amb25336343 [0,0,0,2,0,0|2,0,0]=4 2784 B13R2.1613 OCC1CCCN2CCCCC12 Amb1794828 [0,0,0,2,0,0|1,0,0]=3 2785 B13R2.1613 OCC1CCNC2CCSCC12 Amb27480890 [0,0,0,2,0,0|2,0,0]=4 2786 B13R2.1613 OCC1CNCC2CCCCC12 Amb27959012 [0,0,0,2,0,0|1,0,0]=3 2787 B13R2.1613 OC[C@@H]1CCCN2CCCCC12 Amb7089057 [0,0,0,2,0,0|1,0,0]=3 2788 B13R2.1613 OC[C@@H]1CCCN2CCCC[C@@H]12 Amb22757986 [0,0,0,2,0,0|1,0,0]=3 2789 B13R2.1613 OC[C@@H]1CCCN2CCCC[C@H]12 Amb1048127 [0,0,0,2,0,0|1,0,0]=3 2790 B13R2.1613 OC[C@@H]1CCCN2CCCC[C@H]12 Amb6296862 [0,0,0,2,0,0|1,0,0]=3 2791 B13R2.1613 OC[C@@H]1CCCN2CCOC[C@H]12 Amb27640631 [0,0,0,2,0,0|2,0,0]=4 2792 B13R2.1613 OC[C@@H]1CCC[C@H]2CCCN[C@H]21 Amb28052156 [0,0,0,2,0,0|1,0,0]=3 2793 B13R2.1613 OC[C@H]1CCCC2CCNCC21 Amb25864456 [0,0,0,2,0,0|1,0,0]=3 2794 B13R2.1613 OC[C@H]1CCCN2CCCC[C@@H]12 Amb25912277 [0,0,0,2,0,0|1,0,0]=3 2795 B13R2.1613 O\N=C1\CCCC2CCCCC12 Amb4007519 [0,0,0,2,0,0|1,0,1]=4 2796 B13R2.1613 SCC1CCCN2CCCCC12 Amb2680394 [0,0,0,2,0,0|1,1,0]=4 2797 B13R2.1613 SC[C@@H]1CCCN2CCCCC12 Amb28060942 [0,0,0,2,0,0|1,1,0]=4 2798 B13R2.1613 SC[C@@H]1CCCN2CCCC[C@H]12 Amb544395 [0,0,0,2,0,0|1,1,0]=4 2799 B13R2.2382 C(CC1CO1)CN2CCOCC2 Amb33171402 [0,0,0,2,0,0|2,0,0]=4 2800 B13R2.2382 C1COC(COCC2CC2)CN1 Amb33546061 [0,0,0,2,0,0|2,0,0]=4 2801 B13R2.2383 C1CC(CCC2CCNCC2)C1 Amb27871909 [0,0,0,2,0,0|2,0,0]=4 2802 B13R2.2383 C1CC(CCC2CNCCN2)C1 Amb32687591 [0,0,0,2,0,0|2,0,0]=4 2803 B13R2.2383 C1CC(NCC2CNCCO2)C1 Amb18298105 [0,0,0,2,0,0|2,0,0]=4 2804 B13R2.2383 C1CCC(CCC2CCC2)NC1 Amb27947836 [0,0,0,2,0,0|1,0,0]=3 2805 B13R2.2383 C1CCC(CCC2CNC2)CC1 Amb24544147 [0,0,0,2,0,0|2,0,0]=4 2806 B13R2.2383 C1CCC(CCC2CNC2)OC1 Amb30020316 [0,0,0,2,0,0|1,0,0]=3 2807 B13R2.2383 C1CCC(CNC2CCC2)NC1 Amb18298113 [0,0,0,2,0,0|2,0,0]=4 2808 B13R2.2383 C1CCC(CNC2COC2)OC1 Amb27628496 [0,0,0,2,0,0|2,0,0]=4 2809 B13R2.2383 C1CCC(COC2CCC2)NC1 Amb18295645 [0,0,0,2,0,0|2,0,0]=4 2810 B13R2.2383 C1CCC(COC2CNC2)OC1 Amb18997212 [0,0,0,2,0,0|2,0,0]=4 2811 B13R2.2383 C1CCC(NCC2CCC2)CC1 Amb4313925 [0,0,0,2,0,0|2,0,0]=4 2812 B13R2.2383 C1CCN(CCC2CCC2)CC1 Amb27475280 [0,0,0,2,0,0|2,0,0]=4 2813 B13R2.3058 CCCCN1C[C@H]2CCC[C@@H]1O2 Amb27213976 [0,0,0,2,0,0|1,0,0]=3 2814 B13R2.3576 O=C1CCCCC2CCCC1C2 Amb27770112 [0,0,0,2,0,0|0,0,2]=4 2815 B13R2.5252 CC1CCCCC2CCCNC12 Amb28280883 [0,0,0,2,0,0|2,0,0]=4 2816 B13R2.5252 CC1CNCCC2CCCCN12 Amb18826261 [0,0,0,2,0,0|2,0,0]=4 2817 B13R2.5252 CC1NCCCN2CCCCC12 Amb18826249 [0,0,0,2,0,0|2,0,0]=4 2818 B13R2.5252 O=C1CCCC[C@H]2CCCC[C@@H]12 Amb28202238 [0,0,0,2,0,0|0,0,2]=4 2819 B13R2.8001 C1=CCOC2(CC1)CCCCC2 Amb32655349 [0,0,0,2,0,0|0,0,2]=4 2820 B13R2.8001 C1CCC2(CC1)CCCCNC2 Amb26940496 [0,0,0,2,0,0|2,0,0]=4 2821 B13R2.8001 C1CCC2(CC1)CCCCNC2 Amb33038324 [0,0,0,2,0,0|2,0,0]=4 2822 B13R2.8001 C1CCC2(CC1)CCCNCC2 Amb18826822 [0,0,0,2,0,0|2,0,0]=4 2823 B13R2.8001 C1CCC2(CC1)CNCCCN2 Amb18826266 [0,0,0,2,0,0|2,0,0]=4 2824 B13R2.8001 C1CCC2(CC1)CNCCCO2 Amb27235632 [0,0,0,2,0,0|1,0,0]=3 2825 B13R2.8001 C1CCC2(CC1)OCCCCO2 Amb27843486 [0,0,0,2,0,0|1,0,0]=3 2826 B13R2.8001 C1CCC2(CCCOCC2)NC1 Amb18825875 [0,0,0,2,0,0|2,0,0]=4 2827 B13R2.8001 C1CCCC2(CC1)CCCCN2 Amb18826824 [0,0,0,2,0,0|1,0,0]=3 2828 B13R2.8001 C1CCCC2(CC1)CCCCN2 Amb31156406 [0,0,0,2,0,0|1,0,0]=3 2829 B13R2.8001 C1CCCC2(CC1)CCCNC2 Amb18826823 [0,0,0,2,0,0|2,0,0]=4 2830 B13R2.8001 C1CCCC2(CC1)CCNCC2 Amb18199364 [0,0,0,2,0,0|2,0,0]=4 2831 B13R2.8001 C1CCCC2(CC1)CCNCC2 Amb35752648 [0,0,0,2,0,0|2,0,0]=4 2832 B13R2.8001 C1CCCC2(CC1)CNCCN2 Amb16192543 [0,0,0,2,0,0|2,0,0]=4 2833 B13R2.8001 C1CCCC2(CC1)CNCCO2 Amb18943836 [0,0,0,2,0,0|1,0,0]=3 2834 B13R2.8001 C1CCNC2(CC1)CCCCC2 Amb33470532 [0,0,0,2,0,0|1,0,0]=3 2835 B13R2.8001 C1CCNC2(CC1)CCNCC2 Amb32946854 [0,0,0,2,0,0|2,0,0]=4 2836 B13R2.8001 C1CCNC2(CC1)CCOCC2 Amb32946859 [0,0,0,2,0,0|2,0,0]=4 2837 B13R2.8001 C1CCNC2(CC1)CCSCC2 Amb32946855 [0,0,0,2,0,0|2,0,0]=4 2838 B13R2.8001 C1CCOC2(CCNCC2)OC1 Amb25108520 [0,0,0,2,0,0|2,0,0]=4 2839 B13R2.8001 C1CNC2(CCCOCC2)OC1 Amb33193109 [0,0,0,2,0,0|2,0,0]=4 2840 B13R2.8001 C1CNCCC2(C1)COCCO2 Amb33096660 [0,0,0,2,0,0|2,0,0]=4 2841 B13R2.8001 C1CNCCC2(C1)COCCO2 Amb33096661 [0,0,0,2,0,0|2,0,0]=4 2842 B13R2.8001 C1COC2(CCCNCC2)SC1 Amb28131367 [0,0,0,2,0,0|2,0,0]=4 2843 B13R2.8001 C1COC2(CCN1)CCOCC2 Amb24733284 [0,0,0,2,0,0|2,0,0]=4 2844 B13R2.8001 C1COC2(CCN1)CCSCC2 Amb33734881 [0,0,0,2,0,0|2,0,0]=4 2845 B13R2.8001 C1COC2(CCN1)CCSCC2 Amb33734882 [0,0,0,2,0,0|2,0,0]=4 2846 B13R2.8001 C1CSCCC2(C1)CNCCO2 Amb35642543 [0,0,0,2,0,0|2,0,0]=4 2847 B13R2.208 CC1CCCCCC12NCCS2 Amb35733896 [0,0,0,2,0,0|1,1,0]=4 2848 B13R2.208 NC1CCCCCC12OCCO2 Amb27842224 [0,0,0,2,0,0|2,0,0]=4 2849 B13R2.208 O=C1CCCCCC12CCCC2 Amb25202509 [0,0,0,2,0,0|0,0,2]=4 2850 B13R2.208 OC1CCCCCC12CCNC2 Amb18825880 [0,0,0,2,0,0|1,0,0]=3 2851 B13R2.499 CC12CC1CCCC2NCCO Amb27591156 [0,0,0,2,0,0|1,0,0]=3 2852 B13R2.516 CCNCC1CC2CC2CC1C Amb33230260 [0,0,0,2,0,0|2,0,0]=4 2853 B13R2.995 CCCCC1C(O)CC2CCC21 Amb28281858 [0,0,0,2,0,0|0,0,0]=2 2854 B13R2.1243 CCNCC1CCC2CCC1O2 Amb27880046 [0,0,0,2,0,0|1,0,0]=3 2855 B13R2.1243 FCCNC1CCC2CCC1O2 Amb27627182 [0,0,0,2,0,0|2,0,0]=4 2856 B13R2.1243 OCCCC1CCC2CC1CO2 Amb32950877 [0,0,0,2,0,0|1,0,0]=3 2857 B13R2.1243 OCCNC1CCC2CCC1O2 Amb27206751 [0,0,0,2,0,0|2,0,0]=4 2858 B13R2.1318 CC1CCCCCC12CC2CBr Amb35721315 [0,0,0,2,0,0|1,0,0]=3 2859 B13R2.1318 CC1CCCCCC12CC2CCl Amb35721314 [0,0,0,2,0,0|1,0,0]=3 2860 B13R2.1318 CC1CCCCCC12CC2CN Amb35733913 [0,0,0,2,0,0|1,0,0]=3 2861 B13R2.1318 CC1CCCCCC12CC2CO Amb35672762 [0,0,0,2,0,0|0,0,0]=2 2862 B13R2.1421 CN1[C@H]2CCCC[C@@H]1[C@H](CO)C2 Amb27484640 [0,0,0,2,0,0|1,0,0]=3 2863 B13R2.1515 OCC1CC2CCCCCN2C1 Amb27959013 [0,0,0,2,0,0|1,0,0]=3 2864 B13R2.2295 C1CCC2CCNCCN2CC1 Amb18199158 [0,0,0,2,0,0|2,0,0]=4 2865 B13R2.2295 C1CCC2CNCCCC2NC1 Amb28397382 [0,0,0,2,0,0|2,0,0]=4 2866 B13R2.2295 C1CC[C@@H]2CCCNC[C@H]2NC1 Amb27210163 [0,0,0,2,0,0|2,0,0]=4 2867 B13R2.2295 C1CC[C@@H]2CCNCC[C@H]2NC1 Amb18826305 [0,0,0,2,0,0|2,0,0]=4 2868 B13R2.2295 C1CC[C@H]2CCCNC[C@@H]2NC1 Amb18826307 [0,0,0,2,0,0|2,0,0]=4 2869 B13R2.2295 C1CC[C@H]2CNCCC[C@@H]2NC1 Amb18826310 [0,0,0,2,0,0|2,0,0]=4 2870 B13R2.2438 CCCCC12CC1CCCC2O Amb28066040 [0,0,0,2,0,0|0,0,0]=2 2871 B13R2.2438 CCCCC12OC1CCCC2O Amb27598484 [0,0,0,2,0,0|1,0,0]=3 2872 B13R2.2453 CCCC[C@H]1C(=O)[C@H]2CCC[C@H]21 Amb28253723 [0,0,0,2,0,0|0,0,2]=4 2873 B13R2.3045 BrC1CCCCCC1OC2CC2 Amb32712213 [0,0,0,2,0,0|2,0,0]=4 2874 B13R2.3045 CC1CCSCCN1CC2CO2 Amb28066923 [0,0,0,2,0,0|2,0,0]=4 2875 B13R2.3045 CC1COCCCN1CC2CO2 Amb27774487 [0,0,0,2,0,0|2,0,0]=4 2876 B13R2.3045 FC1CCNCCC1CC2CC2 Amb27642861 [0,0,0,2,0,0|2,0,0]=4 2877 B13R2.3045 IC1CCCCCC1OC2CC2 Amb32712218 [0,0,0,2,0,0|2,0,0]=4 2878 B13R2.3045 O=C1CCCCCC1CC2CC2 Amb27970302 [0,0,0,2,0,0|0,0,2]=4 2879 B13R2.3045 OC1CCCCCC1CC2CC2 Amb27780752 [0,0,0,2,0,0|0,0,0]=2 2880 B13R2.3045 OC1CCCCCC1CC2CO2 Amb32944707 [0,0,0,2,0,0|1,0,0]=3 2881 B13R2.3045 O[C@@H]1CCCCC[C@H]1CC2CC2 Amb32950760 [0,0,0,2,0,0|0,0,0]=2 2882 B13R2.3045 O[C@@H]1CCCCC[C@H]1CC2CO2 Amb33213233 [0,0,0,2,0,0|1,0,0]=3 2883 B13R2.3505 NC12CCCCCC1CCCC2 Amb28254310 [0,0,0,2,0,0|1,0,0]=3 2884 B13R2.3689 OC1CCC2CCCCC1C2O Amb28318784 [0,0,0,2,0,0|1,0,0]=3 2885 B13R2.3689 O[C@H]1CC[C@@H]2CCCC[C@H]1[C@@H]2O Amb27857904 [0,0,0,2,0,0|1,0,0]=3 2886 B13R2.3729 C[C@@H]1CN2CCCCCC2CN1 Amb18826274 [0,0,0,2,0,0|2,0,0]=4 2887 B13R2.3729 N[C@@H]1CC[C@@H]2CCCCCN2C1 Amb27844245 [0,0,0,2,0,0|2,0,0]=4 2888 B13R2.3729 N[C@H]1CC[C@@H]2CCCCCN2C1 Amb27215999 [0,0,0,2,0,0|2,0,0]=4 2889 B13R2.3729 N[C@H]1CC[C@H]2CCCCC[C@@H]2C1 Amb27845539 [0,0,0,2,0,0|1,0,0]=3 2890 B13R2.3729 OC1CCC2C=CCCCC2C1 Amb28189481 [0,0,0,2,0,0|0,0,2]=4 2891 B13R2.3729 OC1CCC2CCCCCN2C1 Amb27816281 [0,0,0,2,0,0|1,0,0]=3 2892 B13R2.3729 OC1CC[C@@H]2CCCCC[C@@H]2C1 Amb27452059 [0,0,0,2,0,0|0,0,0]=2 2893 B13R2.3729 O[C@@H]1CC[C@@H]2CCCCCN2C1 Amb27814672 [0,0,0,2,0,0|1,0,0]=3 2894 B13R2.3729 O[C@@H]1CC[C@H]2CCCCCC2C1 Amb27980489 [0,0,0,2,0,0|0,0,0]=2 2895 B13R2.3729 O[C@@H]1CC[C@H]2CCCCC[C@@H]2C1 Amb27643513 [0,0,0,2,0,0|0,0,0]=2 2896 B13R2.3729 O[C@H]1CC[C@@H]2CCCCCN2C1 Amb27215998 [0,0,0,2,0,0|1,0,0]=3 2897 B13R2.3757 O=C1CCC2CCCCCC12O Amb27177968 [0,0,0,2,0,0|1,0,1]=4 2898 B13R2.3893 OC1C2CCCCN1CCCC2 Amb28244377 [0,0,0,2,0,0|1,0,0]=3 2899 B13R2.4488 NCCN1CC2CCCCCC21 Amb28198427 [0,0,0,2,0,0|2,0,0]=4 2900 B13R2.4901 FC1CCNCCC1C2CCC2 Amb27634283 [0,0,0,2,0,0|2,0,0]=4 2901 B13R2.4901 NC1CCNCCC1C2CCC2 Amb27633487 [0,0,0,2,0,0|2,0,0]=4 2902 B13R2.4901 NC1CCOCCC1C2CCC2 Amb27646870 [0,0,0,2,0,0|2,0,0]=4 2903 B13R2.4901 OC1CCCCCC1C2CCC2 Amb24566011 [0,0,0,2,0,0|0,0,0]=2 2904 B13R2.4901 OC1CCCCCC1C2CNC2 Amb32950650 [0,0,0,2,0,0|1,0,0]=3 2905 B13R2.4901 OC1CCCCCC1N2CCC2 Amb28240582 [0,0,0,2,0,0|1,0,0]=3 2906 B13R2.4901 O[C@@H]1CCCCC[C@H]1C2CCC2 Amb32950241 [0,0,0,2,0,0|0,0,0]=2 2907 B13R2.4901 O[C@@H]1CCCCC[C@H]1C2CNC2 Amb32945582 [0,0,0,2,0,0|1,0,0]=3 2908 B13R2.6337 OCC1CC2CCCCCC12O Amb28401007 [0,0,0,2,0,0|1,0,0]=3 2909 B13R2.6337 OC[C@@H]1C[C@@H]2CCCCC[C@]12O Amb27420683 [0,0,0,2,0,0|1,0,0]=3 2910 B13R2.5 CCC1CCCCC12NCCO2 Amb33218276 [0,0,0,2,0,0|1,0,0]=3 2911 B13R2.5 CCC1CNCCC12CCCC2 Amb27167445 [0,0,0,2,0,0|2,0,0]=4 2912 B13R2.5 CNC1CCCCC12CCCC2 Amb27399271 [0,0,0,2,0,0|2,0,0]=4 2913 B13R2.5 COC1CNCCC12CCCO2 Amb30529706 [0,0,0,2,0,0|2,0,0]=4 2914 B13R2.5 CO[C@H]1CCNC[C@@]12CCCO2 Amb30529737 [0,0,0,2,0,0|2,0,0]=4 2915 B13R2.5 ClCC1CCCCC12OCCO2 Amb28458466 [0,0,0,2,0,0|2,0,0]=4 2916 B13R2.5 N#CC1CCCCC12CCCC2 Amb27483808 [0,0,0,2,0,0|1,0,1]=4 2917 B13R2.5 NCC1CCCCC12CCCC2 Amb27869125 [0,0,0,2,0,0|1,0,0]=3 2918 B13R2.5 NCC1CCCCC12OCCO2 Amb18561434 [0,0,0,2,0,0|2,0,0]=4 2919 B13R2.5 NCC1CCOCC12CCCC2 Amb18825871 [0,0,0,2,0,0|2,0,0]=4 2920 B13R2.5 NCC1CCOCC12CCCC2 Amb33466976 [0,0,0,2,0,0|2,0,0]=4 2921 B13R2.5 NNC1CCCCC12CCCC2 Amb28188972 [0,0,0,2,0,0|2,0,0]=4 2922 B13R2.5 O=CC1CCCCC12CCCC2 Amb18646650 [0,0,0,2,0,0|0,0,2]=4 2923 B13R2.5 OCC1=CCCCC12CCCC2 Amb27615343 [0,0,0,2,0,0|0,0,2]=4 2924 B13R2.5 OCC1CCCCC12CCCC2 Amb27406194 [0,0,0,2,0,0|0,0,0]=2 2925 B13R2.5 OCC1CCCCC12CCCN2 Amb27968192 [0,0,0,2,0,0|1,0,0]=3 2926 B13R2.5 OCC1CCCCC12CCNC2 Amb27462605 [0,0,0,2,0,0|1,0,0]=3 2927 B13R2.5 OCC1CCCCC12OCCO2 Amb22363973 [0,0,0,2,0,0|2,0,0]=4 2928 B13R2.18 BrC1CCCCC1C2CCOC2 Amb28456886 [0,0,0,2,0,0|2,0,0]=4 2929 B13R2.18 BrC1CCCCC1C2CCSC2 Amb35696826 [0,0,0,2,0,0|2,0,0]=4 2930 B13R2.18 CC1CCCCC1N2CCCC2 Amb28282390 [0,0,0,2,0,0|2,0,0]=4 2931 B13R2.18 CC1CNCCC1N2CCCO2 Amb28186094 [0,0,0,2,0,0|2,0,0]=4 2932 B13R2.18 CC1COCCC1C2CCCN2 Amb27187564 [0,0,0,2,0,0|2,0,0]=4 2933 B13R2.18 CN1CCCCC1C2CCCN2 Amb17659155 [0,0,0,2,0,0|2,0,0]=4 2934 B13R2.18 CN1CCCCC1C2OCCO2 Amb27831639 [0,0,0,2,0,0|2,0,0]=4 2935 B13R2.18 CN1CCNCC1C2CCCO2 Amb33318751 [0,0,0,2,0,0|2,0,0]=4 2936 B13R2.18 CN1CCOCC1C2CCCO2 Amb27206338 [0,0,0,2,0,0|2,0,0]=4 2937 B13R2.18 ClC1CCCCC1C2CCCC2 Amb28071794 [0,0,0,2,0,0|1,0,0]=3 2938 B13R2.18 ClC1CCCCC1C2CCOC2 Amb28281131 [0,0,0,2,0,0|2,0,0]=4 2939 B13R2.18 ClC1CCCCC1C2CCSC2 Amb35696822 [0,0,0,2,0,0|2,0,0]=4 2940 B13R2.18 Cl[C@@H]1CCCC[C@H]1N2CCCC2 Amb27859220 [0,0,0,2,0,0|2,0,0]=4 2941 B13R2.18 FC1CCCCC1C2CCNC2 Amb27438058 [0,0,0,2,0,0|2,0,0]=4 2942 B13R2.18 FC1CCNCC1C2CCCC2 Amb28368839 [0,0,0,2,0,0|2,0,0]=4 2943 B13R2.18 FC1CNCCC1C2CCCC2 Amb27633310 [0,0,0,2,0,0|2,0,0]=4 2944 B13R2.18 NC1CCCCC1C2CCSC2 Amb35682327 [0,0,0,2,0,0|2,0,0]=4 2945 B13R2.18 NC1CCCCC1N2CCCC2 Amb6660626 [0,0,0,2,0,0|2,0,0]=4 2946 B13R2.18 NC1CCCCN1C2CCCC2 Amb27186811 [0,0,0,2,0,0|2,0,0]=4 2947 B13R2.18 N[C@@H]1CCCCC1N2CCCC2 Amb26656501 [0,0,0,2,0,0|2,0,0]=4 2948 B13R2.18 N[C@H]1CCCC[C@@H]1C2CCCC2 Amb27494821 [0,0,0,2,0,0|1,0,0]=3 2949 B13R2.18 N[C@H]1CCCC[C@H]1N2CCCC2 Amb24551871 [0,0,0,2,0,0|2,0,0]=4 2950 B13R2.18 O=C1CCCCC1C2CCCC2 Amb18798695 [0,0,0,2,0,0|0,0,2]=4 2951 B13R2.18 O=C1CCCCC1C2CCCO2 Amb25370820 [0,0,0,2,0,0|1,0,1]=4 2952 B13R2.18 OC1CCCCC1C2CCCC2 Amb18799274 [0,0,0,2,0,0|0,0,0]=2 2953 B13R2.18 OC1CCCCC1C2CCCN2 Amb25088113 [0,0,0,2,0,0|1,0,0]=3 2954 B13R2.18 OC1CCCCC1C2CCNC2 Amb27172906 [0,0,0,2,0,0|1,0,0]=3 2955 B13R2.18 OC1CCCCC1C2CCSC2 Amb35716130 [0,0,0,2,0,0|1,0,0]=3 2956 B13R2.18 OC1CCCCC1N2CCCC2 Amb8392558 [0,0,0,2,0,0|1,0,0]=3 2957 B13R2.18 OC1CCNCC1C2CCCC2 Amb25066512 [0,0,0,2,0,0|1,0,0]=3 2958 B13R2.18 OC1CCNCC1C2CCOC2 Amb27654266 [0,0,0,2,0,0|2,0,0]=4 2959 B13R2.18 OC1CCNCC1C2CCSC2 Amb35716131 [0,0,0,2,0,0|2,0,0]=4 2960 B13R2.18 OC1CCNCC1N2CCCC2 Amb26544380 [0,0,0,2,0,0|2,0,0]=4 2961 B13R2.18 OC1CCOCC1C2CCCN2 Amb25299907 [0,0,0,2,0,0|2,0,0]=4 2962 B13R2.18 OC1CCOCC1C2CCSC2 Amb35716132 [0,0,0,2,0,0|2,0,0]=4 2963 B13R2.18 OC1CCOCC1N2CCCC2 Amb18806913 [0,0,0,2,0,0|2,0,0]=4 2964 B13R2.18 OC1COCCC1N2CCCC2 Amb33041401 [0,0,0,2,0,0|2,0,0]=4 2965 B13R2.18 O[C@@H]1CCCC[C@H]1C2CCCC2 Amb32950166 [0,0,0,2,0,0|0,0,0]=2 2966 B13R2.18 O[C@@H]1CCCC[C@H]1C2CCCN2 Amb32945251 [0,0,0,2,0,0|1,0,0]=3 2967 B13R2.18 O[C@@H]1CCCC[C@H]1C2OCCO2 Amb27423126 [0,0,0,2,0,0|2,0,0]=4 2968 B13R2.18 O[C@@H]1CCCC[C@H]1N2CCCC2 Amb16230285 [0,0,0,2,0,0|1,0,0]=3 2969 B13R2.18 O[C@@H]1CCCC[C@H]1N2CCSC2 Amb27978579 [0,0,0,2,0,0|2,0,0]=4 2970 B13R2.18 O[C@@H]1CCNC[C@H]1C2CCCC2 Amb25274269 [0,0,0,2,0,0|1,0,0]=3 2971 B13R2.18 O[C@H]1CCCC[C@@H]1N2CCCC2 Amb27822907 [0,0,0,2,0,0|1,0,0]=3 2972 B13R2.18 O[C@H]1CCCC[C@H]1N2CCCC2 Amb27219087 [0,0,0,2,0,0|1,0,0]=3 2973 B13R2.18 O[C@H]1CCNC[C@@H]1N2CCCC2 Amb32657873 [0,0,0,2,0,0|2,0,0]=4 2974 B13R2.18 SC1CCCCC1C2CCCN2 Amb32788561 [0,0,0,2,0,0|1,1,0]=4 2975 B13R2.29 BrC1CCCC1CC2CCCC2 Amb27389126 [0,0,0,2,0,0|1,0,0]=3 2976 B13R2.29 BrC1CCCC1CC2CCCO2 Amb27973356 [0,0,0,2,0,0|1,0,0]=3 2977 B13R2.29 BrC1CCCC1OC2CCCC2 Amb27782961 [0,0,0,2,0,0|2,0,0]=4 2978 B13R2.29 BrC1COCC1CC2CCCC2 Amb29877863 [0,0,0,2,0,0|2,0,0]=4 2979 B13R2.29 CC1CCCC1NC2CCCC2 Amb27413976 [0,0,0,2,0,0|2,0,0]=4 2980 B13R2.29 CC1CCCN1CC2CCCC2 Amb28064951 [0,0,0,2,0,0|2,0,0]=4 2981 B13R2.29 CC1CCCN1CC2CCCN2 Amb18950679 [0,0,0,2,0,0|2,0,0]=4 2982 B13R2.29 CC1CCCN1C[C@@H]2CCCN2 Amb24649930 [0,0,0,2,0,0|2,0,0]=4 2983 B13R2.29 CC1NCCC1CC2CCCC2 Amb27862642 [0,0,0,2,0,0|2,0,0]=4 2984 B13R2.29 CC1OCCC1CC2CCCN2 Amb33427690 [0,0,0,2,0,0|2,0,0]=4 2985 B13R2.29 CN1CCCC1CC2CCCN2 Amb33321423 [0,0,0,2,0,0|2,0,0]=4 2986 B13R2.29 C[C@@H]1CCCN1C[C@@H]2CCCN2 Amb22745139 [0,0,0,2,0,0|2,0,0]=4 2987 B13R2.29 ClC1COCC1CC2CCCC2 Amb35736827 [0,0,0,2,0,0|2,0,0]=4 2988 B13R2.29 IC1CCCC1OC2CCCC2 Amb26658585 [0,0,0,2,0,0|2,0,0]=4 2989 B13R2.29 NC1CCCC1CN2CCCC2 Amb17490253 [0,0,0,2,0,0|2,0,0]=4 2990 B13R2.29 NC1COCC1CC2CCCC2 Amb35608392 [0,0,0,2,0,0|2,0,0]=4 2991 B13R2.29 N[C@@H]1CCC[C@@H]1CN2CCCC2 Amb35663456 [0,0,0,2,0,0|2,0,0]=4 2992 B13R2.29 N[C@@H]1CNC[C@@H]1CC2CCCC2 Amb32709368 [0,0,0,2,0,0|2,0,0]=4 2993 B13R2.29 N[C@@H]1CNC[C@@H]1CC2CCCO2 Amb32709352 [0,0,0,2,0,0|2,0,0]=4 2994 B13R2.29 OC1CCCC1CC2=CCCC2 Amb28060740 [0,0,0,2,0,0|0,0,2]=4 2995 B13R2.29 OC1CCCC1CC2CC=CC2 Amb30033044 [0,0,0,2,0,0|0,0,2]=4 2996 B13R2.29 OC1CCCC1CC2CCCC2 Amb18805996 [0,0,0,2,0,0|0,0,0]=2 2997 B13R2.29 OC1CCCC1CC2CCCO2 Amb18801884 [0,0,0,2,0,0|1,0,0]=3 2998 B13R2.29 OC1CCCC1CC2OCCO2 Amb28127758 [0,0,0,2,0,0|2,0,0]=4 2999 B13R2.29 OC1CCCC1OC2CCNC2 Amb27857841 [0,0,0,2,0,0|2,0,0]=4 3000 B13R2.29 OC1CCNC1CC2CCCC2 Amb27193861 [0,0,0,2,0,0|1,0,0]=3 3001 B13R2.29 OC1CNCC1CC2CCCC2 Amb32950433 [0,0,0,2,0,0|1,0,0]=3 3002 B13R2.29 OC1CNCC1NC2CCCC2 Amb35663829 [0,0,0,2,0,0|2,0,0]=4 3003 B13R2.29 OC1COCC1CC2CCCC2 Amb32945234 [0,0,0,2,0,0|1,0,0]=3 3004 B13R2.29 OC1CSCC1CC2CCCO2 Amb28456378 [0,0,0,2,0,0|2,0,0]=4 3005 B13R2.29 OC1CSCC1CC2CCOC2 Amb27604697 [0,0,0,2,0,0|2,0,0]=4 3006 B13R2.29 O[C@@H]1CCC[C@@H]1CC2OCCO2 Amb27790395 [0,0,0,2,0,0|2,0,0]=4 3007 B13R2.29 O[C@@H]1CCC[C@H]1CC2=CCCC2 Amb33213872 [0,0,0,2,0,0|0,0,2]=4 3008 B13R2.29 O[C@@H]1CCC[C@H]1CC2CC=CC2 Amb32944331 [0,0,0,2,0,0|0,0,2]=4 3009 B13R2.29 O[C@@H]1CCC[C@H]1CC2CCCC2 Amb32945986 [0,0,0,2,0,0|0,0,0]=2 3010 B13R2.29 O[C@@H]1CCC[C@H]1NC2CCCC2 Amb24697497 [0,0,0,2,0,0|1,0,0]=3 3011 B13R2.29 O[C@@H]1CCC[C@H]1NC2CCSC2 Amb24739138 [0,0,0,2,0,0|2,0,0]=4 3012 B13R2.29 O[C@@H]1CNC[C@@H]1NC2CCCC2 Amb35665255 [0,0,0,2,0,0|2,0,0]=4 3013 B13R2.29 O[C@@H]1CNC[C@H]1CC2CCCC2 Amb32709337 [0,0,0,2,0,0|1,0,0]=3 3014 B13R2.29 O[C@@H]1CNC[C@H]1CC2CCCO2 Amb32709322 [0,0,0,2,0,0|2,0,0]=4 3015 B13R2.29 O[C@@H]1CNC[C@H]1NC2CCCC2 Amb25371280 [0,0,0,2,0,0|2,0,0]=4 3016 B13R2.29 O[C@@H]1CNC[C@H]1SC2CCCC2 Amb27843031 [0,0,0,2,0,0|2,0,0]=4 3017 B13R2.29 O[C@@H]1COC[C@H]1CC2CCCC2 Amb33213987 [0,0,0,2,0,0|1,0,0]=3 3018 B13R2.29 O[C@@H]1COC[C@H]1NC2CCCC2 Amb27266101 [0,0,0,2,0,0|2,0,0]=4 3019 B13R2.29 O[C@@H]1COC[C@H]1SC2CCCC2 Amb35632215 [0,0,0,2,0,0|2,0,0]=4 3020 B13R2.29 O[C@H]1CCC[C@@H]1SC2CCCC2 Amb27629159 [0,0,0,2,0,0|1,0,0]=3 3021 B13R2.37 NCCC1CCCC12CCCC2 Amb27453305 [0,0,0,2,0,0|1,0,0]=3 3022 B13R2.37 SCCN1CCCC12CCCC2 Amb27592378 [0,0,0,2,0,0|1,1,0]=4 3023 B13R2.39 CCCCC1NCC12CCCC2 Amb27170440 [0,0,0,2,0,0|2,0,0]=4 3024 B13R2.39 CCNCC1CCC12CCCC2 Amb30025750 [0,0,0,2,0,0|2,0,0]=4 3025 B13R2.39 NCCNC1CCC12CCCC2 Amb35678728 [0,0,0,2,0,0|2,0,0]=4 3026 B13R2.47 NCC1CC1CCC2CCCC2 Amb33380249 [0,0,0,2,0,0|1,0,0]=3 3027 B13R2.47 NCC1CC1CCN2CCCC2 Amb33274887 [0,0,0,2,0,0|2,0,0]=4 3028 B13R2.47 NC[C@@H]1C[C@H]1CCC2CCCC2 Amb33380250 [0,0,0,2,0,0|1,0,0]=3 3029 B13R2.47 NC[C@@H]1C[C@H]1CCN2CCCC2 Amb33274888 [0,0,0,2,0,0|2,0,0]=4 3030 B13R2.61 BrC[C@@H]1CCCN1C2CCCC2 Amb29851375 [0,0,0,2,0,0|2,0,0]=4 3031 B13R2.61 BrC[C@H]1CCCN1C2CCCC2 Amb35679958 [0,0,0,2,0,0|2,0,0]=4 3032 B13R2.61 CCC1CCNC1C2CCCO2 Amb3788206 [0,0,0,2,0,0|1,0,0]=3 3033 B13R2.61 CCC1CNCC1N2CCCO2 Amb28069839 [0,0,0,2,0,0|2,0,0]=4 3034 B13R2.61 CCN1CCCC1C2CCCC2 Amb28319782 [0,0,0,2,0,0|2,0,0]=4 3035 B13R2.61 CCN1CCCC1C2CCCN2 Amb18285902 [0,0,0,2,0,0|2,0,0]=4 3036 B13R2.61 ClCC1CCCN1C2CCCC2 Amb27849592 [0,0,0,2,0,0|2,0,0]=4 3037 B13R2.61 ClCC1CCOC1C2CCCC2 Amb27950425 [0,0,0,2,0,0|2,0,0]=4 3038 B13R2.61 ClC[C@@H]1CCCN1C2CCCC2 Amb29851053 [0,0,0,2,0,0|2,0,0]=4 3039 B13R2.61 ClC[C@H]1CCCN1C2CCCC2 Amb35729568 [0,0,0,2,0,0|2,0,0]=4 3040 B13R2.61 NCC1CCCC1C2CCSC2 Amb29862832 [0,0,0,2,0,0|2,0,0]=4 3041 B13R2.61 NCC1CCCN1C2CCCC2 Amb18908766 [0,0,0,2,0,0|2,0,0]=4 3042 B13R2.61 NCC1CCNC1C2CCCC2 Amb18826295 [0,0,0,2,0,0|2,0,0]=4 3043 B13R2.61 NCC1COCC1C2CCCC2 Amb27956846 [0,0,0,2,0,0|2,0,0]=4 3044 B13R2.61 NC[C@@H]1CCCN1C2CCCC2 Amb27393525 [0,0,0,2,0,0|2,0,0]=4 3045 B13R2.61 OCC1CCCN1C2CCNC2 Amb17134928 [0,0,0,2,0,0|2,0,0]=4 3046 B13R2.61 OCC1CCCN1C2CCSC2 Amb27455924 [0,0,0,2,0,0|2,0,0]=4 3047 B13R2.61 OCC1CCOC1C2CCCO2 Amb28047859 [0,0,0,2,0,0|2,0,0]=4 3048 B13R2.61 OCC1CNCC1C2CCCC2 Amb27633233 [0,0,0,2,0,0|1,0,0]=3 3049 B13R2.61 OCC1NCCC1C2CCCC2 Amb27770322 [0,0,0,2,0,0|1,0,0]=3 3050 B13R2.61 OCC1NCCC1C2CCCO2 Amb27219971 [0,0,0,2,0,0|2,0,0]=4 3051 B13R2.61 OCC1NCCC1C2CCOC2 Amb27651081 [0,0,0,2,0,0|2,0,0]=4 3052 B13R2.61 OC[C@@H]1CCCN1C2CCCC2 Amb27235797 [0,0,0,2,0,0|1,0,0]=3 3053 B13R2.61 OC[C@@H]1CCCN1C2CCNC2 Amb29851136 [0,0,0,2,0,0|2,0,0]=4 3054 B13R2.61 OC[C@H]1CCCN1C2CCNC2 Amb30012437 [0,0,0,2,0,0|2,0,0]=4 3055 B13R2.61 OC[C@H]1CCCN1C2CCSC2 Amb28127824 [0,0,0,2,0,0|2,0,0]=4 3056 B13R2.61 OC[C@H]1CCN[C@@H]1C2CCCC2 Amb27787482 [0,0,0,2,0,0|1,0,0]=3 3057 B13R2.62 CCC1CCN1C[C@H]2CCCO2 Amb27785074 [0,0,0,2,0,0|1,0,0]=3 3058 B13R2.62 NCC1CCC1CC2CCOC2 Amb28074446 [0,0,0,2,0,0|2,0,0]=4 3059 B13R2.62 NCC1CCN1CC2CCCC2 Amb26568072 [0,0,0,2,0,0|2,0,0]=4 3060 B13R2.62 NCC1CCN1CC2CCCO2 Amb29852850 [0,0,0,2,0,0|2,0,0]=4 3061 B13R2.62 NCC1CCN1C[C@@H]2CCCO2 Amb33252314 [0,0,0,2,0,0|2,0,0]=4 3062 B13R2.62 NCC1CCN1C[C@H]2CCCO2 Amb33252318 [0,0,0,2,0,0|2,0,0]=4 3063 B13R2.158 CC1CCC1NC[C@@H]2CCCN2 Amb27877396 [0,0,0,2,0,0|2,0,0]=4 3064 B13R2.158 CC1CCN1CCC2CCCN2 Amb27882427 [0,0,0,2,0,0|2,0,0]=4 3065 B13R2.158 OC1CCC1CCC2CCCC2 Amb32944270 [0,0,0,2,0,0|0,0,0]=2 3066 B13R2.158 OC1CCC1CCC2CCCO2 Amb32951018 [0,0,0,2,0,0|1,0,0]=3 3067 B13R2.158 OC1CCC1NCC2CCCO2 Amb31198033 [0,0,0,2,0,0|2,0,0]=4 3068 B13R2.158 OC1CCC1OCC2CCCC2 Amb34930432 [0,0,0,2,0,0|1,0,0]=3 3069 B13R2.158 O[C@@H]1CC[C@H]1NCC2CCOC2 Amb27945284 [0,0,0,2,0,0|2,0,0]=4 3070 B13R2.183 C1CCC(CCC2CCCN2)C1 Amb33549578 [0,0,0,2,0,0|1,0,0]=3 3071 B13R2.183 C1CCC(CCC2CCCN2)C1 Amb3788198 [0,0,0,2,0,0|1,0,0]=3 3072 B13R2.183 C1CCC(CCC2CCNC2)C1 Amb26508794 [0,0,0,2,0,0|2,0,0]=4 3073 B13R2.183 C1CCC(CNC2CCCC2)C1 Amb8952750 [0,0,0,2,0,0|2,0,0]=4 3074 B13R2.183 C1CCC(COC2CCCO2)C1 Amb22752557 [0,0,0,2,0,0|1,0,0]=3 3075 B13R2.183 C1CCC(NCC2CCCN2)C1 Amb17232682 [0,0,0,2,0,0|2,0,0]=4 3076 B13R2.183 C1CCC(NCC2CCCO2)C1 Amb838668 [0,0,0,2,0,0|1,0,0]=3 3077 B13R2.183 C1CCC(NCC2CCCS2)C1 Amb27600559 [0,0,0,2,0,0|1,1,0]=4 3078 B13R2.183 C1CCC(NC[C@@H]2CCCN2)C1 Amb27810422 [0,0,0,2,0,0|2,0,0]=4 3079 B13R2.183 C1CCC(NC[C@H]2CCCO2)C1 Amb27950338 [0,0,0,2,0,0|1,0,0]=3 3080 B13R2.183 C1CCC(OC[C@@H]2CCCN2)C1 Amb17083729 [0,0,0,2,0,0|2,0,0]=4 3081 B13R2.183 C1CCC(SC[C@H]2CCCN2)C1 Amb27603620 [0,0,0,2,0,0|2,0,0]=4 3082 B13R2.183 C1CNC(CCN2CCCC2)C1 Amb17504835 [0,0,0,2,0,0|2,0,0]=4 3083 B13R2.183 C1CNC(COC2CCCC2)C1 Amb27666922 [0,0,0,2,0,0|2,0,0]=4 3084 B13R2.183 C1COC(CCN2CCCC2)C1 Amb28120929 [0,0,0,2,0,0|1,0,0]=3 3085 B13R2.183 C1COC(CCN2CCCN2)C1 Amb27775215 [0,0,0,2,0,0|2,0,0]=4 3086 B13R2.183 C1COC(CNC2CCSC2)C1 Amb9751607 [0,0,0,2,0,0|2,0,0]=4 3087 B13R2.183 C1COC(CN[C@H]2CCNC2)C1 Amb29892644 [0,0,0,2,0,0|2,0,0]=4 3088 B13R2.183 C1COC(COC2CCNC2)C1 Amb18994641 [0,0,0,2,0,0|2,0,0]=4 3089 B13R2.183 C1COC(COC2CCNC2)C1 Amb32411994 [0,0,0,2,0,0|2,0,0]=4 3090 B13R2.183 C1COC(CO[C@@H]2CCNC2)C1 Amb27234276 [0,0,0,2,0,0|2,0,0]=4 3091 B13R2.183 C1COC(CO[C@H]2CCNC2)C1 Amb28422101 [0,0,0,2,0,0|2,0,0]=4 3092 B13R2.183 C1COC(CSC2CCCC2)C1 Amb27809924 [0,0,0,2,0,0|1,0,0]=3 3093 B13R2.183 C1CO[C@@H](CNC2CCNC2)C1 Amb35599651 [0,0,0,2,0,0|2,0,0]=4 3094 B13R2.183 C1CO[C@@H](CN[C@H]2CCNC2)C1 Amb29892643 [0,0,0,2,0,0|2,0,0]=4 3095 B13R2.183 C1CO[C@H](CNC2CCNC2)C1 Amb35599650 [0,0,0,2,0,0|2,0,0]=4 3096 B13R2.183 C1CO[C@H](CN[C@H]2CCNC2)C1 Amb29892641 [0,0,0,2,0,0|2,0,0]=4 3097 B13R2.292 BrCCN1CCCC2CCCC21 Amb27412243 [0,0,0,2,0,0|2,0,0]=4 3098 B13R2.292 CCCN1CCC[C@H]2OCC[C@H]21 Amb28182812 [0,0,0,2,0,0|1,0,0]=3 3099 B13R2.292 CCNC1CCCC2OCCC12 Amb23560386 [0,0,0,2,0,0|1,0,0]=3 3100 B13R2.292 FCCN1CCC[C@H]2OCC[C@H]21 Amb28293555 [0,0,0,2,0,0|2,0,0]=4 3101 B13R2.292 ICCN1CCC[C@H]2OCC[C@H]21 Amb28139460 [0,0,0,2,0,0|2,0,0]=4 3102 B13R2.292 NCCC1CCCC2CCCC12 Amb27209289 [0,0,0,2,0,0|1,0,0]=3 3103 B13R2.292 NCCC1CCCN2CCCC12 Amb18826272 [0,0,0,2,0,0|2,0,0]=4 3104 B13R2.292 NCCN1CCCC2CCCC21 Amb24475984 [0,0,0,2,0,0|2,0,0]=4 3105 B13R2.292 NCCN1CCCC2CCCC21 Amb33447130 [0,0,0,2,0,0|2,0,0]=4 3106 B13R2.292 OCCN1CCCC2COCC21 Amb30028980 [0,0,0,2,0,0|2,0,0]=4 3107 B13R2.292 OCCN1CCCC2NCCC21 Amb32675173 [0,0,0,2,0,0|2,0,0]=4 3108 B13R2.292 OCCN1CCC[C@@H]2CNC[C@@H]21 Amb28068227 [0,0,0,2,0,0|2,0,0]=4 3109 B13R2.292 OCCN1CCC[C@H]2COC[C@H]21 Amb27632534 [0,0,0,2,0,0|2,0,0]=4 3110 B13R2.292 OCCN1CCO[C@H]2CCC[C@H]21 Amb27857424 [0,0,0,2,0,0|2,0,0]=4 3111 B13R2.292 OCCN1CCSC2CCCC21 Amb27977448 [0,0,0,2,0,0|2,0,0]=4 3112 B13R2.292 SCCN1CCCC2CCCC21 Amb27766482 [0,0,0,2,0,0|1,1,0]=4 3113 B13R2.468 CCCCN1CCC2CCCC21 Amb27180975 [0,0,0,2,0,0|2,0,0]=4 3114 B13R2.468 ClCCCN1CCC2CCCC21 Amb27659847 [0,0,0,2,0,0|2,0,0]=4 3115 B13R2.468 OCCC[C@@H]1CC[C@H]2CCCN12 Amb27428281 [0,0,0,2,0,0|1,0,0]=3 3116 B13R2.468 OCCC[C@H]1CC[C@H]2CCCN12 Amb27206546 [0,0,0,2,0,0|1,0,0]=3 3117 B13R2.628 CCC1NCCCN2CCCC12 Amb18826248 [0,0,0,2,0,0|2,0,0]=4 3118 B13R2.628 OC[C@@H]1CCCC[C@@H]2CCCN12 Amb27184170 [0,0,0,2,0,0|1,0,0]=3 3119 B13R2.677 C1CCCC(C2CCCN2)CC1 Amb18799000 [0,0,0,2,0,0|1,0,0]=3 3120 B13R2.677 C1CCCC(C2CCNC2)CC1 Amb24610366 [0,0,0,2,0,0|2,0,0]=4 3121 B13R2.677 C1CCCC(N2CCCN2)CC1 Amb27473735 [0,0,0,2,0,0|2,0,0]=4 3122 B13R2.677 C1CCCN(C2CCCC2)CC1 Amb17940334 [0,0,0,2,0,0|2,0,0]=4 3123 B13R2.677 C1CCNC(C2CCCC2)CC1 Amb17659217 [0,0,0,2,0,0|1,0,0]=3 3124 B13R2.677 C1CCNC(C2CCCC2)CC1 Amb2237248 [0,0,0,2,0,0|1,0,0]=3 3125 B13R2.677 C1CCNC(C2CCOC2)CC1 Amb28365723 [0,0,0,2,0,0|2,0,0]=4 3126 B13R2.677 C1CNC(C2CCCC2)CSC1 Amb27770993 [0,0,0,2,0,0|2,0,0]=4 3127 B13R2.677 C1CNCCC(C2CCCN2)C1 Amb27466066 [0,0,0,2,0,0|2,0,0]=4 3128 B13R2.677 C1CSCCC(C2CCCN2)C1 Amb35642542 [0,0,0,2,0,0|2,0,0]=4 3129 B13R2.701 CCCCNC1C[C@@H]2CCC[C@H]12 Amb32698078 [0,0,0,2,0,0|2,0,0]=4 3130 B13R2.2380 C1COC(CCSCC2CC2)O1 Amb28283502 [0,0,0,2,0,0|2,0,0]=4 3131 B13R2.2381 C1CC(CNCC2CCCO2)C1 Amb6487430 [0,0,0,2,0,0|1,0,0]=3 3132 B13R2.2381 C1CCC(CCCC2CNC2)C1 Amb33374572 [0,0,0,2,0,0|2,0,0]=4 3133 B13R2.2381 C1COC(CCOC2CNC2)C1 Amb32941476 [0,0,0,2,0,0|2,0,0]=4 3134 B13R2.2381 C1COC(COCC2CNC2)C1 Amb21959285 [0,0,0,2,0,0|2,0,0]=4 3135 B13R2.2520 CCCCNC1CC2CCC1C2 Amb18788723 [0,0,0,2,0,0|2,0,0]=4 3136 B13R2.2520 NCCCCC1CC2CCC1C2 Amb2371667 [0,0,0,2,0,0|1,0,0]=3 3137 B13R2.2520 NCCCCC1CC2CCC1O2 Amb32874103 [0,0,0,2,0,0|1,0,0]=3 3138 B13R2.2520 NCCCOC1CC2CCC1C2 Amb33448391 [0,0,0,2,0,0|2,0,0]=4 3139 B13R2.2520 NCCCOC1CC2CCC1O2 Amb32874065 [0,0,0,2,0,0|2,0,0]=4 3140 B13R2.2520 O=CCCCC1CC2CCC1C2 Amb33358634 [0,0,0,2,0,0|0,0,2]=4 3141 B13R2.2520 O=CCCCC1CC2CCC1O2 Amb32874097 [0,0,0,2,0,0|1,0,1]=4 3142 B13R2.2520 OCCC#C[C@H]1CC2CCC1C2 Amb28281927 [0,0,0,2,0,0|0,0,2]=4 3143 B13R2.2520 OCCC#C[C@H]1C[C@H]2CC[C@H]1C2 Amb27853894 [0,0,0,2,0,0|0,0,2]=4 3144 B13R2.2520 OCCCNC1CC2CCC1C2 Amb18789060 [0,0,0,2,0,0|1,0,0]=3 3145 B13R2.3047 CN1CCCCC[C@@H]2NCC[C@H]21 Amb30527656 [0,0,0,2,0,0|2,0,0]=4 3146 B13R2.8000 C1CCCC2(CCC1)CCNC2 Amb18278143 [0,0,0,2,0,0|2,0,0]=4 3147 B13R2.8000 C1CCCC2(CCC1)NCCO2 Amb24355328 [0,0,0,2,0,0|1,0,0]=3 3148 B13R2.8000 C1CCCC2(CCC1)OCCO2 Amb4016180 [0,0,0,2,0,0|1,0,0]=3 3149 B13R2.9 OCC1CCC2C(O)CCCN12 Amb27605279 [0,0,0,2,0,0|2,0,0]=4 3150 B13R2.70 C\C=C\[C@H]1C[C@@H]2CCC[C@@H]2[C@@H]1O Amb27853893 [0,0,0,2,0,0|0,0,2]=4 3151 B13R2.84 CCC1CCN2CCCC2C1O Amb27972374 [0,0,0,2,0,0|1,0,0]=3 3152 B13R2.104 CC1COCC12CCNC2CO Amb35616322 [0,0,0,2,0,0|2,0,0]=4 3153 B13R2.104 CC1OCCC12CCNC2CO Amb27218677 [0,0,0,2,0,0|2,0,0]=4 3154 B13R2.104 CC1SCCC12CCNC2CO Amb27594216 [0,0,0,2,0,0|2,0,0]=4 3155 B13R2.104 CCC1CCCC12CNCC2C Amb28073317 [0,0,0,2,0,0|2,0,0]=4 3156 B13R2.105 CC1CCN1C2CCCC2CO Amb27401687 [0,0,0,2,0,0|1,0,0]=3 3157 B13R2.210 O=C1CCC[C@@H]2CCC[C@@H]2CC1 Amb27854965 [0,0,0,2,0,0|0,0,2]=4 3158 B13R2.210 OC1CCCC2CCCC2CC1 Amb27826540 [0,0,0,2,0,0|0,0,0]=2 3159 B13R2.301 CCC1CCCC12CC2CNC Amb27232582 [0,0,0,2,0,0|2,0,0]=4 3160 B13R2.449 CCCC1CCC2CCCC2N1 Amb28366620 [0,0,0,2,0,0|1,0,0]=3 3161 B13R2.449 CCCC1CCC2NCCC2C1 Amb32794581 [0,0,0,2,0,0|2,0,0]=4 3162 B13R2.449 CCC[C@@H]1CN2CCC[C@@H]2CN1 Amb32410420 [0,0,0,2,0,0|2,0,0]=4 3163 B13R2.449 CCC[C@H]1CN2CCC[C@H]2CN1 Amb26545999 [0,0,0,2,0,0|2,0,0]=4 3164 B13R2.449 CNCC1CN2CCCC2CO1 Amb27865216 [0,0,0,2,0,0|2,0,0]=4 3165 B13R2.449 NCCC1CCC2CCCC2C1 Amb27462410 [0,0,0,2,0,0|1,0,0]=3 3166 B13R2.449 NCCC1CCN2CCCC2C1 Amb18826243 [0,0,0,2,0,0|2,0,0]=4 3167 B13R2.449 OCCC1CCC2NCCC2C1 Amb32794590 [0,0,0,2,0,0|1,0,0]=3 3168 B13R2.449 OCCC1CCN2CCCC2C1 Amb26542549 [0,0,0,2,0,0|1,0,0]=3 3169 B13R2.449 OCCC1CN2CCCC2CN1 Amb28346777 [0,0,0,2,0,0|2,0,0]=4 3170 B13R2.449 OCCN1CCC2COCC2C1 Amb30028955 [0,0,0,2,0,0|2,0,0]=4 3171 B13R2.449 OCCN1CCN2CCCC2C1 Amb24487630 [0,0,0,2,0,0|2,0,0]=4 3172 B13R2.449 OCCN1CC[C@H]2OCC[C@H]2C1 Amb27632706 [0,0,0,2,0,0|2,0,0]=4 3173 B13R2.595 CC1CC1CN2CCC[C@H]2CO Amb27605112 [0,0,0,2,0,0|1,0,0]=3 3174 B13R2.673 OCCNCC1CNCC12CC2 Amb32757179 [0,0,0,2,0,0|2,0,0]=4 3175 B13R2.1680 BrCC1CCCN1CC2CCC2 Amb27656815 [0,0,0,2,0,0|2,0,0]=4 3176 B13R2.1680 BrC[C@@H]1CCCN1CC2CCC2 Amb29851369 [0,0,0,2,0,0|2,0,0]=4 3177 B13R2.1680 BrC[C@H]1CCCN1CC2CCC2 Amb35679957 [0,0,0,2,0,0|2,0,0]=4 3178 B13R2.1680 CCC1CCCC1NC2CCC2 Amb27860941 [0,0,0,2,0,0|2,0,0]=4 3179 B13R2.1680 ClCC1CCCN1CC2CCC2 Amb27482158 [0,0,0,2,0,0|2,0,0]=4 3180 B13R2.1680 ClC[C@@H]1CCCN1CC2CCC2 Amb29867152 [0,0,0,2,0,0|2,0,0]=4 3181 B13R2.1680 ClC[C@H]1CCCN1CC2CCC2 Amb35729849 [0,0,0,2,0,0|2,0,0]=4 3182 B13R2.1680 NCC1CCCN1CC2CCC2 Amb28184367 [0,0,0,2,0,0|2,0,0]=4 3183 B13R2.1680 NC[C@@H]1CCC[C@@H]1CN2CCC2 Amb28246298 [0,0,0,2,0,0|2,0,0]=4 3184 B13R2.1680 OCC1CCCC1NC2CSC2 Amb27857412 [0,0,0,2,0,0|2,0,0]=4 3185 B13R2.1680 OC[C@H]1CCCN1CC2CCC2 Amb27205457 [0,0,0,2,0,0|1,0,0]=3 3186 B13R2.2093 OCC1CCC2CNCCCN12 Amb27876216 [0,0,0,2,0,0|2,0,0]=4 3187 B13R2.2093 OC[C@@H]1CON2CCCCC[C@H]12 Amb27420549 [0,0,0,2,0,0|2,0,0]=4 3188 B13R2.2093 OC[C@H]1CON2CCCCC[C@H]12 Amb28065847 [0,0,0,2,0,0|2,0,0]=4 3189 B13R2.2351 N#CC12CCCC1CCCC2O Amb27826552 [0,0,0,2,0,0|1,0,1]=4 3190 B13R2.2351 N#C[C@]12CCC[C@@H]1CCC[C@@H]2O Amb27662331 [0,0,0,2,0,0|1,0,1]=4 3191 B13R2.2351 N#C[C@]12CCC[C@H]1CCC[C@@H]2O Amb27452429 [0,0,0,2,0,0|1,0,1]=4 3192 B13R2.2356 CCC1CCCN1C2CC2CO Amb27187625 [0,0,0,2,0,0|1,0,0]=3 3193 B13R2.6697 C\C=C1\CC[C@@H]2CCC[C@]12CO Amb27472650 [0,0,0,2,0,0|0,0,2]=4 3194 B13R2.7267 OCC12CCCCCC1CCC2 Amb27631738 [0,0,0,2,0,0|0,0,0]=2 3195 B13R2.283 CCCC1C(=O)CC2CCCC21 Amb27974029 [0,0,0,2,0,0|0,0,2]=4 3196 B13R2.283 C\C=C\C1C(O)C[C@H]2CCC[C@@H]12 Amb27422303 [0,0,0,2,0,0|0,0,2]=4 3197 B13R2.372 O=C1CCCCCCC1C2CO2 Amb28141294 [0,0,0,2,0,0|1,0,1]=4 3198 B13R2.2376 CCN1C2CCCC1C(O)CC2 Amb27764894 [0,0,0,2,0,0|1,0,0]=3 3199 B13R2.2953 OCCC12CCCCCCC1O2 Amb27615512 [0,0,0,2,0,0|1,0,0]=3 3200 B13R2.2956 CCCC1C(=O)C2CCCCC12 Amb27810139 [0,0,0,2,0,0|0,0,2]=4 3201 B13R2.2956 CCNC1C(C)C2CCCCC21 Amb27465810 [0,0,0,2,0,0|2,0,0]=4 3202 B13R2.3219 OC12CCCCCCC1CCC2 Amb28366382 [0,0,0,2,0,0|0,0,0]=2 3203 B13R2.3312 CC12CCCCCCC1CC2=O Amb27164656 [0,0,0,2,0,0|0,0,2]=4 3204 B13R2.3312 O=C1C[C@@H]2CCCCCC[C@]12O Amb28285932 [0,0,0,2,0,0|1,0,1]=4 3205 B13R2.3312 OC1CC2CCCCCCC12O Amb28294088 [0,0,0,2,0,0|1,0,0]=3 3206 B13R2.3907 O=C1C2CCCCCC1CCC2 Amb26539633 [0,0,0,2,0,0|0,0,2]=4 3207 B13R2.4688 O=C1CC2CCCCCCC2C1 Amb28351616 [0,0,0,2,0,0|0,0,2]=4 3208 B13R2.4688 OC1C[C@H]2CCCCCC[C@@H]2C1 Amb27797231 [0,0,0,2,0,0|0,0,0]=2 3209 B13R2.4688 OC1C[C@H]2CCCCCC[C@@H]2O1 Amb27423114 [0,0,0,2,0,0|1,0,0]=3 3210 B13R2.121 OC[C@H]1[C@@H](O)CCN2CCC[C@@H]12 Amb28207326 [0,0,0,2,0,0|2,0,0]=4 3211 B13R2.135 CCC1C(O)OC2CCCCC21 Amb27594791 [0,0,0,2,0,0|1,0,0]=3 3212 B13R2.135 CCN1C(C)CC2CCCCC21 Amb27605016 [0,0,0,2,0,0|2,0,0]=4 3213 B13R2.135 CN1CC2CCCCC2C1CO Amb28189473 [0,0,0,2,0,0|1,0,0]=3 3214 B13R2.135 CN1C[C@@H]2CCCC[C@H]2[C@@H]1CO Amb27969842 [0,0,0,2,0,0|1,0,0]=3 3215 B13R2.135 COC1C(O)CC2CCCCC21 Amb27631871 [0,0,0,2,0,0|1,0,0]=3 3216 B13R2.135 NC1CC2CCCCC2C1CO Amb27439622 [0,0,0,2,0,0|1,0,0]=3 3217 B13R2.135 N[C@@H]1C[C@@H]2CCCC[C@H]2[C@@H]1CO Amb27419868 [0,0,0,2,0,0|1,0,0]=3 3218 B13R2.135 OC[C@@H]1[C@@H](O)C[C@H]2CCCC[C@H]21 Amb27211299 [0,0,0,2,0,0|1,0,0]=3 3219 B13R2.599 C#CC1CC2CCCC2CC1O Amb28063837 [0,0,0,2,0,0|0,0,2]=4 3220 B13R2.599 C#C[C@@H]1C[C@H]2CCC[C@@H]2C[C@H]1O Amb27443579 [0,0,0,2,0,0|0,0,2]=4 3221 B13R2.599 COC1CC2CNCC2CC1O Amb30029872 [0,0,0,2,0,0|2,0,0]=4 3222 B13R2.599 CO[C@H]1C[C@@H]2CCC[C@H]2C[C@@H]1O Amb27978239 [0,0,0,2,0,0|1,0,0]=3 3223 B13R2.599 CSC1CC2CNCC2CC1O Amb29879792 [0,0,0,2,0,0|2,0,0]=4 3224 B13R2.599 N#C[C@H]1C[C@H]2CCC[C@@H]2CC1O Amb27790353 [0,0,0,2,0,0|1,0,1]=4 3225 B13R2.2094 OCC1CCC2CCCCC12O Amb28048363 [0,0,0,2,0,0|1,0,0]=3 3226 B13R2.2094 OC[C@@H]1CC[C@H]2CCCC[C@]12O Amb27849850 [0,0,0,2,0,0|1,0,0]=3 3227 B13R2.2352 CC1CCC2CCCCC12CO Amb27978062 [0,0,0,2,0,0|0,0,0]=2 3228 B13R2.2352 CC1CC[C@@H]2CCCC[C@]12CO Amb27206144 [0,0,0,2,0,0|0,0,0]=2 3229 B13R2.2352 CC1COC2CCCCC12CO Amb27405213 [0,0,0,2,0,0|1,0,0]=3 3230 B13R2.2352 C[C@@H]1CO[C@H]2CCCC[C@]12CO Amb27970991 [0,0,0,2,0,0|1,0,0]=3 3231 B13R2.2352 C[C@H]1CCC2CCCC[C@@]21C=O Amb28287696 [0,0,0,2,0,0|0,0,2]=4 3232 B13R2.2352 N#C[C@]12CCCC[C@H]1CC[C@@H]2O Amb27198090 [0,0,0,2,0,0|1,0,1]=4 3233 B13R2.2352 N#C[C@]12CCCC[C@H]1CC[C@H]2O Amb27980646 [0,0,0,2,0,0|1,0,1]=4 3234 B13R2.2496 CNC1CCC2CC2CCC1O Amb32655305 [0,0,0,2,0,0|1,0,0]=3 3235 B13R2.2496 N#CC1CCC2CC2CCC1O Amb32655310 [0,0,0,2,0,0|1,0,1]=4 3236 B13R2.2721 CCC1C(=O)C2CCCCCC12 Amb27447994 [0,0,0,2,0,0|0,0,2]=4 3237 B13R2.4668 O=C1CC2CCCCCC1CC2 Amb27177666 [0,0,0,2,0,0|0,0,2]=4 3238 B13R2.4668 O=C1C[C@H]2CCCCC[C@@H]1CC2 Amb27629639 [0,0,0,2,0,0|0,0,2]=4 3239 B13R2.4787 O=C1C[C@H]2CCCCCCC[C@H]12 Amb27433087 [0,0,0,2,0,0|0,0,2]=4 3240 B13R2.32 CC1C(=O)CC[C@@H]2CCCC[C@H]12 Amb27437401 [0,0,0,2,0,0|0,0,2]=4 3241 B13R2.32 CC1C(=O)CC[C@H]2CCCC[C@H]12 Amb27844186 [0,0,0,2,0,0|0,0,2]=4 3242 B13R2.32 CC1C(O)C=CC2CCCCC21 Amb28281774 [0,0,0,2,0,0|0,0,2]=4 3243 B13R2.32 CC1C(O)CCC2CCCCC21 Amb27853932 [0,0,0,2,0,0|0,0,0]=2 3244 B13R2.32 CC1C(O)CCC2CCCNC21 Amb27770107 [0,0,0,2,0,0|1,0,0]=3 3245 B13R2.32 CC1C(O)CCN2CCCCC12 Amb27208221 [0,0,0,2,0,0|1,0,0]=3 3246 B13R2.32 CC1CCC2CCCCC2C1=O Amb27663209 [0,0,0,2,0,0|0,0,2]=4 3247 B13R2.32 CC1CCC2CCCCC2C1N Amb27777236 [0,0,0,2,0,0|1,0,0]=3 3248 B13R2.32 C[C@@H]1C(=O)CC[C@H]2CCCC[C@H]12 Amb28285931 [0,0,0,2,0,0|0,0,2]=4 3249 B13R2.32 C[C@@H]1[C@@H](O)CC[C@H]2CCCC[C@H]12 Amb27457735 [0,0,0,2,0,0|0,0,0]=2 3250 B13R2.32 C[C@H]1[C@H]2CCCC[C@@H]2CC[C@H]1O Amb27207840 [0,0,0,2,0,0|0,0,0]=2 3251 B13R2.32 NC1C(O)CCC2CCCCC21 Amb27259189 [0,0,0,2,0,0|1,0,0]=3 3252 B13R2.32 NC1CCC2CCCCC2C1O Amb27456062 [0,0,0,2,0,0|1,0,0]=3 3253 B13R2.32 N[C@@H]1CC[C@H]2CCCC[C@@H]2[C@H]1O Amb28052031 [0,0,0,2,0,0|1,0,0]=3 3254 B13R2.32 N[C@@H]1[C@@H](O)CC[C@H]2CCCC[C@H]12 Amb27493375 [0,0,0,2,0,0|1,0,0]=3 3255 B13R2.32 N[C@H]1[C@@H](O)CC[C@H]2CCCC[C@@H]21 Amb27208922 [0,0,0,2,0,0|1,0,0]=3 3256 B13R2.32 O[C@@H]1CC[C@H]2CCCC[C@@H]2[C@@H]1F Amb27184168 [0,0,0,2,0,0|1,0,0]=3 3257 B13R2.32 O[C@@H]1[C@@H](F)CC[C@H]2CCCC[C@H]12 Amb27207428 [0,0,0,2,0,0|1,0,0]=3 3258 B13R2.32 O[C@H]1CC[C@@H]2CCCC[C@@H]2[C@H]1O Amb28079181 [0,0,0,2,0,0|1,0,0]=3 3259 B13R2.32 O[C@H]1CC[C@H]2CCCC[C@@H]2[C@@H]1O Amb27197502 [0,0,0,2,0,0|1,0,0]=3 3260 B13R2.32 O[C@H]1CC[C@H]2CCCC[C@@H]2[C@H]1F Amb28138633 [0,0,0,2,0,0|1,0,0]=3 3261 B13R2.32 O[C@H]1CC[C@H]2CCCC[C@@H]2[C@H]1O Amb27213871 [0,0,0,2,0,0|1,0,0]=3 3262 B13R2.33 CC1CCN2CCCCC2CN1 Amb25212511 [0,0,0,2,0,0|2,0,0]=4 3263 B13R2.33 O[C@@H]1CC[C@H]2OCCC[C@@H]2OC1 Amb27422631 [0,0,0,2,0,0|2,0,0]=4 3264 B13R2.33 O[C@H]1CC[C@H]2OCCC[C@@H]2OC1 Amb28319995 [0,0,0,2,0,0|2,0,0]=4 3265 B13R2.57 CCC1CN2CCCCC2CN1 Amb20623228 [0,0,0,2,0,0|2,0,0]=4 3266 B13R2.57 CCC1CSC2CCCCC2N1 Amb27238473 [0,0,0,2,0,0|2,0,0]=4 3267 B13R2.57 CC[C@@H]1CN[C@H]2CCCC[C@@H]2N1 Amb27872256 [0,0,0,2,0,0|2,0,0]=4 3268 B13R2.57 CN[C@@H]1CC[C@H]2CCCC[C@@H]2C1 Amb28411314 [0,0,0,2,0,0|2,0,0]=4 3269 B13R2.57 CN[C@H]1CC[C@H]2CCCC[C@@H]2C1 Amb28052166 [0,0,0,2,0,0|2,0,0]=4 3270 B13R2.57 CO[C@@H]1CC[C@@H]2CCNC[C@H]2O1 Amb27667921 [0,0,0,2,0,0|2,0,0]=4 3271 B13R2.57 ClCC1CCC2CCCCC2C1 Amb27175907 [0,0,0,2,0,0|1,0,0]=3 3272 B13R2.57 ICC1CCC2CCCCC2C1 Amb25323964 [0,0,0,2,0,0|1,0,0]=3 3273 B13R2.57 NCC1CCC2CCCCC2C1 Amb27770289 [0,0,0,2,0,0|1,0,0]=3 3274 B13R2.57 NCC1CCC2CCCCC2N1 Amb27163629 [0,0,0,2,0,0|2,0,0]=4 3275 B13R2.57 NCC1CCC2COCCC2C1 Amb33743542 [0,0,0,2,0,0|2,0,0]=4 3276 B13R2.57 NCC1CCC2COCCC2C1 Amb33743599 [0,0,0,2,0,0|2,0,0]=4 3277 B13R2.57 NCC1CCN2CCCCC2C1 Amb18826244 [0,0,0,2,0,0|2,0,0]=4 3278 B13R2.57 NCC1CN2CCCCC2CO1 Amb17138663 [0,0,0,2,0,0|2,0,0]=4 3279 B13R2.57 OCC1CCC2CCCCC2C1 Amb27205831 [0,0,0,2,0,0|0,0,0]=2 3280 B13R2.57 OCC1CCC2CCCCC2N1 Amb27607260 [0,0,0,2,0,0|1,0,0]=3 3281 B13R2.57 OCC1CCC2CNCCN2C1 Amb26014908 [0,0,0,2,0,0|2,0,0]=4 3282 B13R2.57 OCC1CCN2CCCCC2C1 Amb27764947 [0,0,0,2,0,0|1,0,0]=3 3283 B13R2.57 OCC1CCN2CCCCC2O1 Amb28138434 [0,0,0,2,0,0|2,0,0]=4 3284 B13R2.57 OCC1CC[C@H]2CCCC[C@@H]2C1 Amb27184504 [0,0,0,2,0,0|0,0,0]=2 3285 B13R2.57 OCC1CN2CCCCC2CN1 Amb17578194 [0,0,0,2,0,0|2,0,0]=4 3286 B13R2.57 OC[C@@H]1CC[C@@H]2CCCCN2C1 Amb27439598 [0,0,0,2,0,0|1,0,0]=3 3287 B13R2.57 OC[C@@H]1CC[C@@H]2CNCCN2C1 Amb24613885 [0,0,0,2,0,0|2,0,0]=4 3288 B13R2.57 OC[C@@H]1CC[C@H]2CNCCN2C1 Amb25328633 [0,0,0,2,0,0|2,0,0]=4 3289 B13R2.57 OC[C@H]1CCN2CCCC[C@@H]2C1 Amb28344992 [0,0,0,2,0,0|1,0,0]=3 3290 B13R2.57 OC[C@H]1CC[C@@H]2CCCCN2C1 Amb27467426 [0,0,0,2,0,0|1,0,0]=3 3291 B13R2.57 OC[C@H]1CC[C@H]2CCCCN2C1 Amb28053573 [0,0,0,2,0,0|1,0,0]=3 3292 B13R2.57 OC[C@H]1CC[C@H]2CNCCN2C1 Amb25946338 [0,0,0,2,0,0|2,0,0]=4 3293 B13R2.57 ONC1CCC2CCCCC2C1 Amb28289236 [0,0,0,2,0,0|1,0,0]=3 3294 B13R2.89 CCC1CCCCC12CC2CBr Amb27761910 [0,0,0,2,0,0|1,0,0]=3 3295 B13R2.89 COC1CCCCC12CC2CBr Amb27628566 [0,0,0,2,0,0|2,0,0]=4 3296 B13R2.89 COC1CCCCC12CC2CN Amb27465192 [0,0,0,2,0,0|2,0,0]=4 3297 B13R2.89 COC1CCCCC12CC2CO Amb27272708 [0,0,0,2,0,0|1,0,0]=3 3298 B13R2.92 CCC1CCCCC1C2CC2N Amb27246989 [0,0,0,2,0,0|1,0,0]=3 3299 B13R2.489 ICCCN1C2CCCC1CC2 Amb27660435 [0,0,0,2,0,0|2,0,0]=4 3300 B13R2.489 OCCCN1C2CCC1COC2 Amb29889427 [0,0,0,2,0,0|2,0,0]=4 3301 B13R2.502 CCCCC1CNCC2CCN12 Amb32640061 [0,0,0,2,0,0|2,0,0]=4 3302 B13R2.539 OCCCC1CCCCC12N=N2 Amb33457194 [0,0,0,2,0,0|2,0,0]=4 3303 B13R2.571 CC[C@H]1CN2CC[C@H]1C[C@@H]2CN Amb28058305 [0,0,0,2,0,0|2,0,0]=4 3304 B13R2.571 CC[C@H]1CN2CC[C@H]1C[C@@H]2CO Amb26576742 [0,0,0,2,0,0|1,0,0]=3 3305 B13R2.571 CC[C@H]1CN2CC[C@H]1C[C@H]2CN Amb27849657 [0,0,0,2,0,0|2,0,0]=4 3306 B13R2.571 CC[C@H]1CN2CC[C@H]1C[C@H]2CO Amb13886393 [0,0,0,2,0,0|1,0,0]=3 3307 B13R2.573 C=C1CCC2C(CO)CCCC12 Amb27598468 [0,0,0,2,0,0|0,0,2]=4 3308 B13R2.573 C=C1CC[C@@H]2[C@@H](CO)CCC[C@H]12 Amb28388641 [0,0,0,2,0,0|0,0,2]=4 3309 B13R2.573 C[C@@H]1CC[C@@H]2C(CO)=CCC[C@H]21 Amb27970886 [0,0,0,2,0,0|0,0,2]=4 3310 B13R2.573 O=C1CCC2C(CO)CCCC12 Amb27616860 [0,0,0,2,0,0|1,0,1]=4 3311 B13R2.621 CCC1CCCCC1CC2CO2 Amb28070892 [0,0,0,2,0,0|0,0,0]=2 3312 B13R2.621 CCC1CCCCC1NC2CC2 Amb25304981 [0,0,0,2,0,0|2,0,0]=4 3313 B13R2.621 CCC1CCCCN1C[C@H]2CO2 Amb27831334 [0,0,0,2,0,0|1,0,0]=3 3314 B13R2.621 CCC1COCCN1C[C@@H]2CO2 Amb27590773 [0,0,0,2,0,0|2,0,0]=4 3315 B13R2.621 COC1CCCCC1CC2CO2 Amb27949898 [0,0,0,2,0,0|1,0,0]=3 3316 B13R2.621 OCC1CCCCC1NC2CC2 Amb27984501 [0,0,0,2,0,0|1,0,0]=3 3317 B13R2.621 OC[C@@H]1COCCN1CC2CC2 Amb28317515 [0,0,0,2,0,0|2,0,0]=4 3318 B13R2.2528 CCC1CCCCN1C2CCC2 Amb27177116 [0,0,0,2,0,0|2,0,0]=4 3319 B13R2.2528 ClCC1CCCOC1C2CCC2 Amb27593063 [0,0,0,2,0,0|2,0,0]=4 3320 B13R2.2528 NCC1CCOCC1C2CCC2 Amb27237932 [0,0,0,2,0,0|2,0,0]=4 3321 B13R2.2528 NCC1COCCC1C2CCC2 Amb27967407 [0,0,0,2,0,0|2,0,0]=4 3322 B13R2.2528 OCC1CCCCN1C2CNC2 Amb27971704 [0,0,0,2,0,0|2,0,0]=4 3323 B13R2.2528 OCC1CNCCC1N2CCC2 Amb27645452 [0,0,0,2,0,0|2,0,0]=4 3324 B13R2.6377 COC12CCCCC1CC2CO Amb27486429 [0,0,0,2,0,0|1,0,0]=3 3325 B13R2.6377 CO[C@]12CCCC[C@H]1C[C@@H]2CO Amb27792969 [0,0,0,2,0,0|1,0,0]=3 3326 B13R2.6377 CO[C@]12CCCC[C@H]1C[C@H]2CO Amb27967225 [0,0,0,2,0,0|1,0,0]=3 3327 B13R2.7258 N#CC12CCCCC1CCCC2 Amb27441995 [0,0,0,2,0,0|1,0,1]=4 3328 B13R2.7258 OCC12CCCCC1CNCC2 Amb27631737 [0,0,0,2,0,0|1,0,0]=3 3329 B13R2.7258 OCC12CCCCC1NCCC2 Amb25072672 [0,0,0,2,0,0|1,0,0]=3 3330 B13R2.7258 OC[C@]12CC=CC[C@@H]1CCCC2 Amb27457831 [0,0,0,2,0,0|0,0,2]=4 3331 B13R2.7258 OC[C@]12CCCC[C@@H]1NCCC2 Amb24573647 [0,0,0,2,0,0|1,0,0]=3 3332 B13R2.232 CC1CC=C2CCCC2CC1O Amb28318762 [0,0,0,2,0,0|0,0,2]=4 3333 B13R2.232 C[C@@H]1CC=C2CCC[C@@H]2C[C@@H]1O Amb27220509 [0,0,0,2,0,0|0,0,2]=4 3334 B13R2.369 CC1CC2CCCCC2CC1=O Amb4012872 [0,0,0,2,0,0|0,0,2]=4 3335 B13R2.369 CC1CC2CCCCC2NC1C Amb27175785 [0,0,0,2,0,0|2,0,0]=4 3336 B13R2.369 CC1C[C@H]2CCCC[C@H]2CC1=O Amb28052219 [0,0,0,2,0,0|0,0,2]=4 3337 B13R2.369 C[C@@H]1C[C@@H]2CCCC[C@H]2C[C@@H]1O Amb27484828 [0,0,0,2,0,0|0,0,0]=2 3338 B13R2.369 C[C@@H]1C[C@H]2CCCC[C@@H]2C[C@H]1O Amb28069748 [0,0,0,2,0,0|0,0,0]=2 3339 B13R2.369 C[C@@H]1O[C@@H]2CCCC[C@H]2C[C@H]1O Amb27443578 [0,0,0,2,0,0|1,0,0]=3 3340 B13R2.369 NC1CC2CCCCC2CC1O Amb27442960 [0,0,0,2,0,0|1,0,0]=3 3341 B13R2.369 NC1C[C@@H]2CCCC[C@@H]2CC1N Amb27616766 [0,0,0,2,0,0|2,0,0]=4 3342 B13R2.369 N[C@@H]1CC2CCCCC2C[C@H]1O Amb28132307 [0,0,0,2,0,0|1,0,0]=3 3343 B13R2.369 N[C@@H]1C[C@H]2CCCC[C@@H]2C[C@@H]1O Amb27657740 [0,0,0,2,0,0|1,0,0]=3 3344 B13R2.369 N[C@H]1C[C@H]2CCCC[C@@H]2C[C@@H]1N Amb27208921 [0,0,0,2,0,0|2,0,0]=4 3345 B13R2.369 O=C1C[C@@H]2CCCC[C@@H]2C[C@@H]1O Amb27620390 [0,0,0,2,0,0|1,0,1]=4 3346 B13R2.369 O=C1C[C@H]2CCCC[C@@H]2C[C@@H]1O Amb27195837 [0,0,0,2,0,0|1,0,1]=4 3347 B13R2.369 O=C1C[C@H]2CCCC[C@@H]2C[C@H]1O Amb27861319 [0,0,0,2,0,0|1,0,1]=4 3348 B13R2.369 OC1CC2CCCCC2CC1F Amb28281781 [0,0,0,2,0,0|1,0,0]=3 3349 B13R2.369 OC1CC2CCCCC2CC1O Amb4036620 [0,0,0,2,0,0|1,0,0]=3 3350 B13R2.369 OC1CC2CCCC[C@@H]2CC1F Amb28065928 [0,0,0,2,0,0|1,0,0]=3 3351 B13R2.369 O[C@@H]1CC2CCCC[C@@H]2C[C@H]1Cl Amb27788418 [0,0,0,2,0,0|1,0,0]=3 3352 B13R2.369 O[C@@H]1C[C@@H]2CCCCN2C[C@H]1O Amb27969821 [0,0,0,2,0,0|2,0,0]=4 3353 B13R2.369 O[C@@H]1C[C@H]2CCCC[C@@H]2C[C@@H]1F Amb27632876 [0,0,0,2,0,0|1,0,0]=3 3354 B13R2.369 O[C@@H]1C[C@H]2CCCC[C@@H]2C[C@H]1F Amb27970842 [0,0,0,2,0,0|1,0,0]=3 3355 B13R2.369 O[C@@H]1C[C@H]2CCCS[C@@H]2C[C@H]1O Amb28294227 [0,0,0,2,0,0|2,0,0]=4 3356 B13R2.369 O[C@H]1CC2CCCCC2C[C@@H]1F Amb27978210 [0,0,0,2,0,0|1,0,0]=3 3357 B13R2.369 O[C@H]1C[C@@H]2CCCC[C@@H]2C[C@@H]1O Amb27451044 [0,0,0,2,0,0|1,0,0]=3 3358 B13R2.369 O[C@H]1C[C@@H]2CCCC[C@@H]2C[C@H]1O Amb27219741 [0,0,0,2,0,0|1,0,0]=3 3359 B13R2.369 O[C@H]1C[C@H]2CCCC[C@@H]2C[C@H]1O Amb27664070 [0,0,0,2,0,0|1,0,0]=3 3360 B13R2.4745 CC1C(O)OC2CCCCCC21 Amb27416888 [0,0,0,2,0,0|1,0,0]=3 3361 B13R2.4745 CC1CC2=C(CCCCC2)C1O Amb27752362 [0,0,0,2,0,0|0,0,2]=4 3362 B13R2.4821 CC12CC=CCC1CCCC2O Amb28319621 [0,0,0,2,0,0|0,0,2]=4 3363 B13R2.4821 CC12CCCC=C1CCCC2O Amb27486889 [0,0,0,2,0,0|0,0,2]=4 3364 B13R2.4821 CC12CCCCC1CCCC2=O Amb25077647 [0,0,0,2,0,0|0,0,2]=4 3365 B13R2.4821 C[C@@]12CCCCC1CCC[C@H]2O Amb27775906 [0,0,0,2,0,0|0,0,0]=2 3366 B13R2.4821 C[C@@]12CCCC[C@@H]1CCC[C@@H]2O Amb27484661 [0,0,0,2,0,0|0,0,0]=2 3367 B13R2.4821 C[C@@]12CCCC[C@H]1CCC[C@H]2O Amb28207115 [0,0,0,2,0,0|0,0,0]=2 3368 B13R2.4821 C[C@]12CCCC=C1CCCC2O Amb27980587 [0,0,0,2,0,0|0,0,2]=4 3369 B13R2.4821 C[C@]12CCCC=C1CCC[C@H]2O Amb27432173 [0,0,0,2,0,0|0,0,2]=4 3370 B13R2.4821 C[C@]12CCCC[C@@H]1CC=C[C@@H]2O Amb27207745 [0,0,0,2,0,0|0,0,2]=4 3371 B13R2.4821 C[C@]12CCCC[C@@H]1CCC[C@@H]2O Amb28325950 [0,0,0,2,0,0|0,0,0]=2 3372 B13R2.4821 C[C@]12CCCC[C@@H]1CCC[C@H]2O Amb28370063 [0,0,0,2,0,0|0,0,0]=2 3373 B13R2.4821 C[C@]12CCCC[C@H]1CCCC2O Amb28344626 [0,0,0,2,0,0|0,0,0]=2 3374 B13R2.4821 C[C@]12CCCN[C@@H]1CCC[C@H]2O Amb27202814 [0,0,0,2,0,0|1,0,0]=3 3375 B13R2.4821 N[C@@H]1CCC[C@H]2CCCC[C@]12O Amb27261870 [0,0,0,2,0,0|1,0,0]=3 3376 B13R2.4821 O=C1CCCC2CCCCC12O Amb28122454 [0,0,0,2,0,0|1,0,1]=4 3377 B13R2.4821 O=C1CCC[C@@H]2CCCC[C@@]12O Amb27208667 [0,0,0,2,0,0|1,0,1]=4 3378 B13R2.4821 OC1CCC[C@@H]2CCCC[C@]12O Amb27422426 [0,0,0,2,0,0|1,0,0]=3 3379 B13R2.4821 O[C@@H]1CCC[C@@H]2NCCC[C@@]21O Amb27439597 [0,0,0,2,0,0|2,0,0]=4 3380 B13R2.4821 O[C@@H]1CCC[C@@H]2NCCC[C@]21O Amb27263746 [0,0,0,2,0,0|2,0,0]=4 3381 B13R2.4821 O[C@H]1CCC[C@@H]2NCCC[C@@]12O Amb27779164 [0,0,0,2,0,0|2,0,0]=4 3382 B13R2.5226 O=C1CCCCCCC[C@H]2C[C@@H]12 Amb27640532 [0,0,0,2,0,0|0,0,2]=4 3383 B13R2.5254 CC12CCCC1CCCCC2O Amb27605225 [0,0,0,2,0,0|0,0,0]=2 3384 B13R2.5254 C[C@]12CCC[C@H]1CCCC[C@@H]2O Amb27420333 [0,0,0,2,0,0|0,0,0]=2 3385 B13R2.163 CC1CN2CCCCC2CCN1 Amb27616922 [0,0,0,2,0,0|2,0,0]=4 3386 B13R2.163 CC1CNCC2CCCCC2O1 Amb27816360 [0,0,0,2,0,0|1,0,0]=3 3387 B13R2.163 CC1COCC2CCCCC2N1 Amb27232598 [0,0,0,2,0,0|2,0,0]=4 3388 B13R2.163 O=C1CCC[C@@H]2CCCC[C@@H]2C1 Amb28457521 [0,0,0,2,0,0|0,0,2]=4 3389 B13R2.268 NCCC1CCCCC1C2CC2 Amb35676091 [0,0,0,2,0,0|1,0,0]=3 3390 B13R2.268 NCCC1CCCCN1C2CC2 Amb18826296 [0,0,0,2,0,0|2,0,0]=4 3391 B13R2.268 OCCN1CCOCC1C2CC2 Amb27826107 [0,0,0,2,0,0|2,0,0]=4 3392 B13R2.747 CNCC1CCCCC12CCC2 Amb25941013 [0,0,0,2,0,0|2,0,0]=4 3393 B13R2.747 CNCC1CCCCC12CCC2 Amb33621102 [0,0,0,2,0,0|2,0,0]=4 3394 B13R2.747 NCCC1CCOCC12CCC2 Amb18825872 [0,0,0,2,0,0|2,0,0]=4 3395 B13R2.747 NCCC1CCSCC12CCC2 Amb18822268 [0,0,0,2,0,0|2,0,0]=4 3396 B13R2.2930 CCC1C2CCCCC2C1NC Amb28410681 [0,0,0,2,0,0|2,0,0]=4 3397 B13R2.2930 OCC1C(CO)[C@@H]2CCCC[C@H]12 Amb27757379 [0,0,0,2,0,0|1,0,0]=3 3398 B13R2.2930 OCC1C(CO)[C@H]2CCCC[C@H]12 Amb27775451 [0,0,0,2,0,0|1,0,0]=3 3399 B13R2.4079 CCCC1C2CCCC1CNC2 Amb28255601 [0,0,0,2,0,0|2,0,0]=4 3400 B13R2.4079 FCCN1C2CCCC1CCC2 Amb27977326 [0,0,0,2,0,0|2,0,0]=4 3401 B13R2.4079 NCCC1C2CCCC1CCC2 Amb27791142 [0,0,0,2,0,0|1,0,0]=3 3402 B13R2.4079 NCCN1C2CCCC1CCC2 Amb27655618 [0,0,0,2,0,0|2,0,0]=4 3403 B13R2.4079 OCC=C1C2CCCC1CCC2 Amb27615511 [0,0,0,2,0,0|0,0,2]=4 3404 B13R2.4079 OCCC1C2CCCC1CCC2 Amb27842341 [0,0,0,2,0,0|0,0,0]=2 3405 B13R2.4079 OCCN1C2CCCC1CNC2 Amb25268199 [0,0,0,2,0,0|2,0,0]=4 3406 B13R2.4079 OCCN1C2CCCC1COC2 Amb28319500 [0,0,0,2,0,0|2,0,0]=4 3407 B13R2.26 CNCC1CC2CCCCC2C1 Amb27239181 [0,0,0,2,0,0|2,0,0]=4 3408 B13R2.26 CNCC1CC2CCCCC2N1 Amb18793230 [0,0,0,2,0,0|2,0,0]=4 3409 B13R2.26 CNCC1CC2COCCC2O1 Amb33295773 [0,0,0,2,0,0|2,0,0]=4 3410 B13R2.26 NCCC1CC2CCCCC2N1 Amb23560223 [0,0,0,2,0,0|2,0,0]=4 3411 B13R2.26 OCCC1CC2CC=CCC2C1 Amb28048340 [0,0,0,2,0,0|0,0,2]=4 3412 B13R2.26 OCCC1C[C@@H]2CCCC[C@@H]2N1 Amb32946522 [0,0,0,2,0,0|1,0,0]=3 3413 B13R2.26 OCCC1C[C@H]2CC=CC[C@H]2C1 Amb28206247 [0,0,0,2,0,0|0,0,2]=4 3414 B13R2.26 OCCN1C[C@@H]2CCCN[C@@H]2C1 Amb27198744 [0,0,0,2,0,0|2,0,0]=4 3415 B13R2.26 OCCN1C[C@H]2CCCC[C@H]2C1 Amb27857953 [0,0,0,2,0,0|1,0,0]=3 3416 B13R2.26 SCCN1CC2CCCCC2C1 Amb27454655 [0,0,0,2,0,0|1,1,0]=4 3417 B13R2.252 OCCC1CCC2CNC2CC1 Amb33068670 [0,0,0,2,0,0|1,0,0]=3 3418 B13R2.296 NCCC1CCCC2CC2CC1 Amb32862955 [0,0,0,2,0,0|1,0,0]=3 3419 B13R2.4106 OCC[C@@H]1[C@H]2CCC#CCC[C@H]21 Amb27452357 [0,0,0,2,0,0|0,0,2]=4 3420 B13R2.4106 OCC[C@H]1[C@H]2CCC#CCC[C@@H]12 Amb27405906 [0,0,0,2,0,0|0,0,2]=4 3421 B13R2.6843 C1CCC2CNCC(CC1)NC2 Amb27389177 [0,0,0,2,0,0|2,0,0]=4 3422 B13R2.218 O=C1CCCCC2CCCC2C1 Amb28351378 [0,0,0,2,0,0|0,0,2]=4 3423 B13R2.218 O=C1CCCC[C@@H]2CCC[C@@H]2C1 Amb28285836 [0,0,0,2,0,0|0,0,2]=4 3424 B13R2.218 O=C1CCCC[C@@H]2CCC[C@H]2C1 Amb28199945 [0,0,0,2,0,0|0,0,2]=4 3425 B13R2.218 OC1CCCCC2CCCC2C1 Amb28078926 [0,0,0,2,0,0|0,0,0]=2 3426 B13R2.218 O[C@@H]1CC=CC[C@@H]2CCC[C@H]2C1 Amb27457644 [0,0,0,2,0,0|0,0,2]=4 3427 B13R2.218 O[C@@H]1CCCC[C@@H]2CCC[C@H]2C1 Amb27207770 [0,0,0,2,0,0|0,0,0]=2 3428 B13R2.218 O[C@H]1CC=CC[C@@H]2CCCC2C1 Amb27969150 [0,0,0,2,0,0|0,0,2]=4 3429 B13R2.3672 CN1CC[C@@H]2NCCCCC[C@H]21 Amb30527660 [0,0,0,2,0,0|2,0,0]=4 3430 B13R2.3672 O=C1CCC2CCCCCCC12 Amb28202072 [0,0,0,2,0,0|0,0,2]=4 3431 B13R2.3672 OC1CCC2CCCCC=CC12 Amb27757322 [0,0,0,2,0,0|0,0,2]=4 3432 B13R2.3672 O[C@@H]1CC[C@H]2CCCCC=C[C@H]12 Amb27457860 [0,0,0,2,0,0|0,0,2]=4 3433 B13R2.4820 CC1CCCC2CCCOCN12 Amb28140784 [0,0,0,2,0,0|2,0,0]=4 3434 B13R2.4820 NC1CCOC2CCCCCC12 Amb18825896 [0,0,0,2,0,0|2,0,0]=4 3435 B13R2.4820 O=C1CCC[C@H]2CCCCC[C@H]12 Amb27212437 [0,0,0,2,0,0|0,0,2]=4 3436 B13R2.4820 OC1CCCC2CC=CCCC12 Amb28248794 [0,0,0,2,0,0|0,0,2]=4 3437 B13R2.4820 OC1CCNC2CCOCCC12 Amb27813101 [0,0,0,2,0,0|2,0,0]=4 3438 B13R2.4820 OC1CCOC2CCCCCC12 Amb18825576 [0,0,0,2,0,0|1,0,0]=3 3439 B13R2.4820 O[C@@H]1CCC[C@H]2CCCCC[C@H]12 Amb28321263 [0,0,0,2,0,0|0,0,0]=2 3440 B13R2.4820 O[C@H]1CCC[C@H]2CCCCC[C@H]12 Amb27420626 [0,0,0,2,0,0|0,0,0]=2 3441 B13R2.168 CC1CNCC12CCCCC2O Amb32650632 [0,0,0,2,0,0|1,0,0]=3 3442 B13R2.168 CC1CNCC12CNCCC2O Amb32650647 [0,0,0,2,0,0|2,0,0]=4 3443 B13R2.168 CC1CNCC12COCCC2O Amb32650645 [0,0,0,2,0,0|2,0,0]=4 3444 B13R2.168 C[C@@H]1CCC[C@@]12CCCCC2=O Amb28054446 [0,0,0,2,0,0|0,0,2]=4 3445 B13R2.168 O[C@H]1CCCC[C@@]12CCC[C@H]2O Amb27448858 [0,0,0,2,0,0|1,0,0]=3 3446 B13R2.215 CC1CNCCN1C2CCC2O Amb33041104 [0,0,0,2,0,0|2,0,0]=4 3447 B13R2.305 CNCC1CC12CCCCC2C Amb18799005 [0,0,0,2,0,0|2,0,0]=4 3448 B13R2.320 CCOC1CC2OC1CCC2O Amb28069450 [0,0,0,2,0,0|2,0,0]=4 3449 B13R2.342 CC1=C2CCC[C@@H](O)[C@H]2CCC1 Amb27650434 [0,0,0,2,0,0|0,0,2]=4 3450 B13R2.342 CC1CCNC2C(C)CCCC12 Amb27848230 [0,0,0,2,0,0|2,0,0]=4 3451 B13R2.342 CN1CCCC2C(N)CCCC21 Amb28437176 [0,0,0,2,0,0|2,0,0]=4 3452 B13R2.342 CN1CCCC2C(O)CCCC21 Amb28294085 [0,0,0,2,0,0|1,0,0]=3 3453 B13R2.342 C[C@H]1CCN[C@@H]2[C@H]1CCC[C@H]2C Amb27629729 [0,0,0,2,0,0|2,0,0]=4 3454 B13R2.342 NC1CCCC2C(O)CCCC12 Amb28422426 [0,0,0,2,0,0|1,0,0]=3 3455 B13R2.342 O=C1CCC[C@@H]2C(O)CCC[C@@H]12 Amb28052221 [0,0,0,2,0,0|1,0,1]=4 3456 B13R2.342 O=C1CCC[C@@H]2[C@@H]1CCC[C@H]2O Amb28253947 [0,0,0,2,0,0|1,0,1]=4 3457 B13R2.342 O=C1CCC[C@H]2[C@@H](O)CCC[C@@H]12 Amb27263023 [0,0,0,2,0,0|1,0,1]=4 3458 B13R2.342 O=C1CCC[C@H]2[C@@H](O)CCC[C@H]12 Amb27427680 [0,0,0,2,0,0|1,0,1]=4 3459 B13R2.342 OC1CCCC2C(O)CCCC12 Amb4009968 [0,0,0,2,0,0|1,0,0]=3 3460 B13R2.342 O[C@H]1CCC[C@@H]2[C@@H]1CCC[C@H]2O Amb27220635 [0,0,0,2,0,0|1,0,0]=3 3461 B13R2.342 O[C@H]1CCC[C@H]2[C@@H](O)CCC[C@H]12 Amb27197152 [0,0,0,2,0,0|1,0,0]=3 3462 B13R2.377 CC1OC1CC2CCCCC2O Amb28069535 [0,0,0,2,0,0|1,0,0]=3 3463 B13R2.377 CC1OC1CC2OCCCC2O Amb27857886 [0,0,0,2,0,0|2,0,0]=4 3464 B13R2.377 C[C@H]1O[C@@H]1C[C@@H]2OCCC[C@H]2O Amb27805420 [0,0,0,2,0,0|2,0,0]=4 3465 B13R2.486 CCCCC1C2CCC1C(=O)C2 Amb27861493 [0,0,0,2,0,0|0,0,2]=4 3466 B13R2.486 CCCC[C@@H]1[C@@H]2CC[C@H]1C(=O)C2 Amb28052421 [0,0,0,2,0,0|0,0,2]=4 3467 B13R2.486 CCCC[C@H]1[C@@H]2CC[C@H]1C(=O)C2 Amb27785530 [0,0,0,2,0,0|0,0,2]=4 3468 B13R2.567 CC1CCCCC1C2CC2CBr Amb28456114 [0,0,0,2,0,0|1,0,0]=3 3469 B13R2.567 CC1CCCCN1C2CC2CO Amb28204980 [0,0,0,2,0,0|1,0,0]=3 3470 B13R2.567 CN1CCCCC1C2CC2CBr Amb25880792 [0,0,0,2,0,0|2,0,0]=4 3471 B13R2.567 CN1CCCCC1C2CC2CCl Amb24474264 [0,0,0,2,0,0|2,0,0]=4 3472 B13R2.567 CN1CCCCC1C2CC2CI Amb28207437 [0,0,0,2,0,0|2,0,0]=4 3473 B13R2.567 CN1CCCCC1C2CC2CN Amb25092810 [0,0,0,2,0,0|2,0,0]=4 3474 B13R2.567 CN1CCCCC1C2CC2CO Amb25944145 [0,0,0,2,0,0|1,0,0]=3 3475 B13R2.567 CN1CCCCC1C2CC2CS Amb25106050 [0,0,0,2,0,0|1,1,0]=4 3476 B13R2.567 CN1CCCCC1[C@@H]2C[C@H]2CN Amb33322476 [0,0,0,2,0,0|2,0,0]=4 3477 B13R2.2411 N#CCC1CC2CCCC1C2O Amb27981787 [0,0,0,2,0,0|1,0,1]=4 3478 B13R2.2411 O=C1[C@H]2CCC[C@@H]1C[C@H]2CCO Amb27196267 [0,0,0,2,0,0|1,0,1]=4 3479 B13R2.3587 BrC1CCCCC1OCC2CC2 Amb26856585 [0,0,0,2,0,0|2,0,0]=4 3480 B13R2.3587 CC1CCCCC1OC[C@H]2CO2 Amb28325520 [0,0,0,2,0,0|1,0,0]=3 3481 B13R2.3587 CC1CCCNC1CCC2CC2 Amb27587457 [0,0,0,2,0,0|2,0,0]=4 3482 B13R2.3587 F[C@@H]1CCCC[C@H]1NCC2CC2 Amb27228235 [0,0,0,2,0,0|2,0,0]=4 3483 B13R2.3587 IC1CCCCC1OCC2CC2 Amb26983989 [0,0,0,2,0,0|2,0,0]=4 3484 B13R2.3587 NC1CCCOC1CCC2CC2 Amb27427428 [0,0,0,2,0,0|2,0,0]=4 3485 B13R2.3587 OC1CCCCC1CCC2CC2 Amb26371911 [0,0,0,2,0,0|0,0,0]=2 3486 B13R2.3587 OC1CCCCC1CCC2CO2 Amb32945355 [0,0,0,2,0,0|1,0,0]=3 3487 B13R2.3587 OC1CCCCC1NCC2CC2 Amb18301859 [0,0,0,2,0,0|1,0,0]=3 3488 B13R2.3587 OC1CCCCC1OCC2CC2 Amb18806554 [0,0,0,2,0,0|1,0,0]=3 3489 B13R2.3587 OC1CCNCC1NCC2CC2 Amb32752986 [0,0,0,2,0,0|2,0,0]=4 3490 B13R2.3587 OC1CCOCC1OCC2CC2 Amb18807325 [0,0,0,2,0,0|2,0,0]=4 3491 B13R2.3587 O[C@@H]1CCCC[C@H]1CCC2CC2 Amb32944361 [0,0,0,2,0,0|0,0,0]=2 3492 B13R2.3587 O[C@@H]1CCCC[C@H]1CCC2CO2 Amb32944365 [0,0,0,2,0,0|1,0,0]=3 3493 B13R2.3587 O[C@@H]1CCCC[C@H]1NCC2CC2 Amb26450621 [0,0,0,2,0,0|1,0,0]=3 3494 B13R2.3587 O[C@H]1CCNC[C@@H]1NCC2CC2 Amb32657895 [0,0,0,2,0,0|2,0,0]=4 3495 B13R2.5225 BrC1CCCCC1OC2CCC2 Amb25139842 [0,0,0,2,0,0|2,0,0]=4 3496 B13R2.5225 CC1CCCCC1CN2CCC2 Amb27587525 [0,0,0,2,0,0|2,0,0]=4 3497 B13R2.5225 CC1CCCCC1NC2CCC2 Amb18805746 [0,0,0,2,0,0|2,0,0]=4 3498 B13R2.5225 CC1CCCCN1CC2CCN2 Amb26952731 [0,0,0,2,0,0|2,0,0]=4 3499 B13R2.5225 CC1NCCCC1CC2CCC2 Amb27467950 [0,0,0,2,0,0|2,0,0]=4 3500 B13R2.5225 FC1CCNCC1CC2CCC2 Amb28196591 [0,0,0,2,0,0|2,0,0]=4 3501 B13R2.5225 IC1CCCCC1OC2CCC2 Amb27143851 [0,0,0,2,0,0|2,0,0]=4 3502 B13R2.5225 NC1CCCCC1CN2CCC2 Amb27404175 [0,0,0,2,0,0|2,0,0]=4 3503 B13R2.5225 NC1CCNCC1CC2CCC2 Amb27964356 [0,0,0,2,0,0|2,0,0]=4 3504 B13R2.5225 OC1CCCCC1CC2CCC2 Amb27448941 [0,0,0,2,0,0|0,0,0]=2 3505 B13R2.5225 OC1CCCCC1CN2CCC2 Amb28120277 [0,0,0,2,0,0|1,0,0]=3 3506 B13R2.5225 OC1CCCCC1NC2CCC2 Amb18961133 [0,0,0,2,0,0|1,0,0]=3 3507 B13R2.5225 OC1CCCCC1NC2CNC2 Amb28287661 [0,0,0,2,0,0|2,0,0]=4 3508 B13R2.5225 OC1CCCCC1NC2COC2 Amb27845337 [0,0,0,2,0,0|2,0,0]=4 3509 B13R2.5225 OC1CCCCC1NC2CSC2 Amb28045499 [0,0,0,2,0,0|2,0,0]=4 3510 B13R2.5225 OC1CCCCC1OC2CCC2 Amb18793668 [0,0,0,2,0,0|1,0,0]=3 3511 B13R2.5225 OC1CCCCC1OC2CNC2 Amb25796251 [0,0,0,2,0,0|2,0,0]=4 3512 B13R2.5225 OC1CCCCC1OC2CNC2 Amb32684493 [0,0,0,2,0,0|2,0,0]=4 3513 B13R2.5225 OC1CCOCC1OC2CCC2 Amb18794330 [0,0,0,2,0,0|2,0,0]=4 3514 B13R2.5225 O[C@@H]1CCCC[C@@H]1NC2CCC2 Amb28319492 [0,0,0,2,0,0|1,0,0]=3 3515 B13R2.5225 O[C@@H]1CCCC[C@H]1CC2CCC2 Amb32950312 [0,0,0,2,0,0|0,0,0]=2 3516 B13R2.5225 O[C@@H]1CCCC[C@H]1OC2CNC2 Amb32684516 [0,0,0,2,0,0|2,0,0]=4 3517 B13R2.5225 O[C@@H]1CCCC[C@H]1OC2CNC2 Amb32684519 [0,0,0,2,0,0|2,0,0]=4 3518 B13R2.5225 O[C@H]1CCCC[C@@H]1NC2CCC2 Amb27191004 [0,0,0,2,0,0|1,0,0]=3 3519 B13R2.179 CC1CC1CN[C@@H]2COC[C@H]2O Amb35608364 [0,0,0,2,0,0|2,0,0]=4 3520 B13R2.179 CC1CC1CN[C@H]2CCC[C@@H]2O Amb28067257 [0,0,0,2,0,0|1,0,0]=3 3521 B13R2.179 CC1CC1NC[C@@H]2CCC[C@@H]2N Amb35663454 [0,0,0,2,0,0|2,0,0]=4 3522 B13R2.1646 CCC1CCCCCC12CC2N Amb29857928 [0,0,0,2,0,0|1,0,0]=3 3523 B13R2.3443 CC1CC1CN2CCCCCC2 Amb27414816 [0,0,0,2,0,0|2,0,0]=4 3524 B13R2.3443 C[C@@H]1C[C@H]1NC2CCCCCC2 Amb27833585 [0,0,0,2,0,0|2,0,0]=4 3525 B13R2.775 FCCN1CCCC1C2CCC2 Amb27598180 [0,0,0,2,0,0|2,0,0]=4 3526 B13R2.775 ICCN1CCCC1C2CCC2 Amb27979978 [0,0,0,2,0,0|2,0,0]=4 3527 B13R2.775 NCCC1CCCN1C2CCC2 Amb28255798 [0,0,0,2,0,0|2,0,0]=4 3528 B13R2.775 NCCN1CCCC1C2CCC2 Amb26032520 [0,0,0,2,0,0|2,0,0]=4 3529 B13R2.1261 CCCCN1CCCC12CCC2 Amb28126282 [0,0,0,2,0,0|2,0,0]=4 3530 B13R2.1261 CCNCC1CCCC12CCC2 Amb27658168 [0,0,0,2,0,0|2,0,0]=4 3531 B13R2.1261 FCCNC1CCCC12CCC2 Amb27966909 [0,0,0,2,0,0|2,0,0]=4 3532 B13R2.2076 NCC1CCN1CCC2CCC2 Amb33252391 [0,0,0,2,0,0|2,0,0]=4 3533 B13R2.3152 BrC1CCCC1OCC2CCC2 Amb32712366 [0,0,0,2,0,0|2,0,0]=4 3534 B13R2.3152 CC1CCCC1NCC2CCC2 Amb27981082 [0,0,0,2,0,0|2,0,0]=4 3535 B13R2.3152 IC1CCCC1OCC2CCC2 Amb32712370 [0,0,0,2,0,0|2,0,0]=4 3536 B13R2.3152 NC1CCCC1CCN2CCC2 Amb29868676 [0,0,0,2,0,0|2,0,0]=4 3537 B13R2.3152 N[C@@H]1CCC[C@@H]1CNC2CCC2 Amb35663458 [0,0,0,2,0,0|2,0,0]=4 3538 B13R2.3152 N[C@@H]1CCC[C@H]1CCN2CCC2 Amb29867676 [0,0,0,2,0,0|2,0,0]=4 3539 B13R2.3152 OC1CCCC1CCC2CCC2 Amb26968979 [0,0,0,2,0,0|0,0,0]=2 3540 B13R2.3152 OC1CCCC1NCC2CSC2 Amb35654587 [0,0,0,2,0,0|2,0,0]=4 3541 B13R2.3152 OC1CCCC1OCC2CCC2 Amb34930431 [0,0,0,2,0,0|1,0,0]=3 3542 B13R2.3152 OC1CNCC1CCC2CCC2 Amb33212902 [0,0,0,2,0,0|1,0,0]=3 3543 B13R2.3152 OC1COCC1CCC2CCC2 Amb33212826 [0,0,0,2,0,0|1,0,0]=3 3544 B13R2.3152 OC1COCC1OCC2CCC2 Amb34930430 [0,0,0,2,0,0|2,0,0]=4 3545 B13R2.3152 O[C@@H]1CCC[C@H]1CCC2CCC2 Amb32944942 [0,0,0,2,0,0|0,0,0]=2 3546 B13R2.3152 O[C@@H]1CCC[C@H]1NCC2CSC2 Amb35654584 [0,0,0,2,0,0|2,0,0]=4 3547 B13R2.3152 O[C@@H]1CNC[C@H]1CCC2CCC2 Amb32950285 [0,0,0,2,0,0|1,0,0]=3 3548 B13R2.3152 O[C@@H]1CNC[C@H]1NCC2CCC2 Amb28383019 [0,0,0,2,0,0|2,0,0]=4 3549 B13R2.3152 O[C@@H]1COC[C@H]1CCC2CCC2 Amb32945088 [0,0,0,2,0,0|1,0,0]=3 3550 B13R2.3152 O[C@H]1CCC[C@@H]1NCC2CCC2 Amb27878259 [0,0,0,2,0,0|1,0,0]=3 3551 B13R2.3152 O[C@H]1CCC[C@@H]1NCC2CSC2 Amb35654588 [0,0,0,2,0,0|2,0,0]=4 3552 B13R2.3159 C(CCC1CC1)CNC2CCC2 Amb32675859 [0,0,0,2,0,0|2,0,0]=4 3553 B13R2.4894 OC1CCC1CCCC2CCC2 Amb32944726 [0,0,0,2,0,0|0,0,0]=2 3554 B13R2.6426 CCC1CCCCCC12CCN2 Amb35671752 [0,0,0,2,0,0|1,0,0]=3 3555 B13R2.6840 C1CCC(CC2CCC2)CNC1 Amb27258830 [0,0,0,2,0,0|2,0,0]=4 3556 B13R2.6840 C1CCCC(CC2CNC2)CC1 Amb25667338 [0,0,0,2,0,0|2,0,0]=4 3557 B13R2.6840 C1CCCN(CC2CCC2)CC1 Amb27475816 [0,0,0,2,0,0|2,0,0]=4 3558 B13R2.6840 C1CCCN(CC2CCN2)CC1 Amb26974663 [0,0,0,2,0,0|2,0,0]=4 3559 B13R2.6844 C1CCCC(C2CCN2)CCC1 Amb27620345 [0,0,0,2,0,0|1,0,0]=3 3560 B13R2.255 COC[C@@H]1CC[C@@H]2CC[C@H]1[C@H]2O Amb28206044 [0,0,0,2,0,0|1,0,0]=3 3561 B13R2.273 OCCN1C2CCNCC1CC2 Amb27607873 [0,0,0,2,0,0|2,0,0]=4 3562 B13R2.594 CNC1CCCCCC1C2CC2 Amb27167076 [0,0,0,2,0,0|2,0,0]=4 3563 B13R2.594 NCC1CCCCCC1C2CC2 Amb27654913 [0,0,0,2,0,0|1,0,0]=3 3564 B13R2.594 NCC1CCNCCC1C2CC2 Amb27967314 [0,0,0,2,0,0|2,0,0]=4 3565 B13R2.594 NCC1CCOCCC1C2CC2 Amb27624640 [0,0,0,2,0,0|2,0,0]=4 3566 B13R2.4128 NCCC1CCCCCC12CC2 Amb18826814 [0,0,0,2,0,0|1,0,0]=3 3567 B13R2.4440 CNCC1CC12CCCCCC2 Amb18963644 [0,0,0,2,0,0|2,0,0]=4 3568 B13R2.4440 NCCC1CC12CCCOCC2 Amb27877583 [0,0,0,2,0,0|2,0,0]=4 3569 B13R2.4440 O=CCC1CC12CCCCCC2 Amb27229439 [0,0,0,2,0,0|0,0,2]=4 3570 B13R2.4440 OCCC1CC12CCCCCC2 Amb27646832 [0,0,0,2,0,0|0,0,0]=2 3571 B13R2.251 COCC1CCC2C(O)CCC12 Amb27416945 [0,0,0,2,0,0|1,0,0]=3 3572 B13R2.251 COC[C@@H]1CC[C@@H]2[C@H](O)CC[C@@H]21 Amb28320020 [0,0,0,2,0,0|1,0,0]=3 3573 B13R2.457 CCCC1COCC12CC2CBr Amb35632092 [0,0,0,2,0,0|2,0,0]=4 3574 B13R2.457 CCCC1COCC12CC2CCl Amb35632091 [0,0,0,2,0,0|2,0,0]=4 3575 B13R2.457 CCCC1COCC12CC2CN Amb35639300 [0,0,0,2,0,0|2,0,0]=4 3576 B13R2.457 CCCC1COCC12CC2CO Amb29886920 [0,0,0,2,0,0|1,0,0]=3 3577 B13R2.515 CC1C[C@@H]2C[C@H]1C[C@H]2OCCO Amb27849817 [0,0,0,2,0,0|1,0,0]=3 3578 B13R2.515 CCCCC1CC2CC1CC2O Amb27977968 [0,0,0,2,0,0|0,0,0]=2 3579 B13R2.8173 BrCCCC12CCC[C@H]1OCC2 Amb33331129 [0,0,0,2,0,0|2,0,0]=4 3580 B13R2.8173 NCCCC12CCC[C@H]1OCC2 Amb33473508 [0,0,0,2,0,0|2,0,0]=4 3581 B13R2.8173 OCCCC12CCC[C@H]1OCC2 Amb33447717 [0,0,0,2,0,0|1,0,0]=3 3582 B13R2.8173 SCCCC12CCC[C@H]1OCC2 Amb33447214 [0,0,0,2,0,0|1,1,0]=4 3583 B13R2.164 BrCCCC1CC2CCCC2O1 Amb32690322 [0,0,0,2,0,0|1,0,0]=3 3584 B13R2.164 CCCCN1CC2CCCC2C1 Amb27187833 [0,0,0,2,0,0|2,0,0]=4 3585 B13R2.164 ClCCCC1CC2CCCC2O1 Amb32690321 [0,0,0,2,0,0|1,0,0]=3 3586 B13R2.164 ClCCCN1CC2CCCC2C1 Amb28250997 [0,0,0,2,0,0|2,0,0]=4 3587 B13R2.164 OCCCC1CC2CCCC2N1 Amb28368201 [0,0,0,2,0,0|1,0,0]=3 3588 B13R2.164 OCCC[C@@H]1C[C@H]2CCCN2O1 Amb28435651 [0,0,0,2,0,0|2,0,0]=4 3589 B13R2.911 CNCCC1[C@H]2CCCCC[C@@H]12 Amb27872524 [0,0,0,2,0,0|2,0,0]=4 3590 B13R2.911 O=CCCC1C2CCCCCC12 Amb27872796 [0,0,0,2,0,0|0,0,2]=4 3591 B13R2.1320 OCC1CC12CCCCCCC2 Amb27835602 [0,0,0,2,0,0|0,0,0]=2 3592 B13R2.5334 O=C1CCC12CCCCCCC2 Amb26476577 [0,0,0,2,0,0|0,0,2]=4 3593 B13R2.6839 C1CCCN(CC2CC2)CCC1 Amb27187443 [0,0,0,2,0,0|2,0,0]=4 3594 B13R2.6839 C1CCCN(C[C@H]2CO2)CCC1 Amb27754443 [0,0,0,2,0,0|1,0,0]=3 3595 B13R2.181 CC1CCCN1[C@@H]2CCC[C@H]2O Amb27822881 [0,0,0,2,0,0|1,0,0]=3 3596 B13R2.181 CC1CCCN1[C@@H]2CNC[C@@H]2O Amb35665256 [0,0,0,2,0,0|2,0,0]=4 3597 B13R2.181 CC1CCCN1[C@@H]2CNC[C@H]2O Amb27983048 [0,0,0,2,0,0|2,0,0]=4 3598 B13R2.181 CC1CCCN1[C@H]2CCC[C@@H]2O Amb27218052 [0,0,0,2,0,0|1,0,0]=3 3599 B13R2.181 OC1CCCC1C2CCCC2O Amb28078242 [0,0,0,2,0,0|1,0,0]=3 3600 B13R2.360 CC1CCC1NC2CCCC2O Amb28322530 [0,0,0,2,0,0|1,0,0]=3 3601 B13R2.360 CC1CCC1N[C@@H]2CCC[C@@H]2F Amb28244861 [0,0,0,2,0,0|2,0,0]=4 3602 B13R2.505 CCCC[C@@H]1O[C@]12CCC[C@H]2O Amb28455616 [0,0,0,2,0,0|1,0,0]=3 3603 B13R2.505 CCNCC1CC12CCCC2C Amb27432315 [0,0,0,2,0,0|2,0,0]=4 3604 B13R2.550 CC1CCCC1N[C@@H]2C[C@H]2CO Amb27605165 [0,0,0,2,0,0|1,0,0]=3 3605 B13R2.550 CC1CSCC1NC2CC2CO Amb28126256 [0,0,0,2,0,0|2,0,0]=4 3606 B13R2.550 CC1OCCC1NC2CC2CO Amb28070426 [0,0,0,2,0,0|2,0,0]=4 3607 B13R2.550 CCC1CC1NC2COCC2O Amb27984430 [0,0,0,2,0,0|2,0,0]=4 3608 B13R2.550 CCC1CC1N[C@@H]2CCC[C@H]2O Amb25931057 [0,0,0,2,0,0|1,0,0]=3 3609 B13R2.550 CCC1CC1N[C@@H]2COC[C@H]2O Amb35608362 [0,0,0,2,0,0|2,0,0]=4 3610 B13R2.550 CCC1CC1N[C@H]2CCC[C@@H]2O Amb28352179 [0,0,0,2,0,0|1,0,0]=3 3611 B13R2.550 CN1CCCC1CC2CC2CN Amb33320374 [0,0,0,2,0,0|2,0,0]=4 3612 B13R2.550 CN1CCCC1C[C@@H]2C[C@H]2CN Amb33320375 [0,0,0,2,0,0|2,0,0]=4 3613 B13R2.653 CC1CCCC1N2CCC2CN Amb35581669 [0,0,0,2,0,0|2,0,0]=4 3614 B13R2.653 CCC1CCN1C2COCC2O Amb27660080 [0,0,0,2,0,0|2,0,0]=4 3615 B13R2.3130 CC1CCCC12CCC=CCO2 Amb32655362 [0,0,0,2,0,0|0,0,2]=4 3616 B13R2.3130 NC1CCOC12CCCCCC2 Amb32990584 [0,0,0,2,0,0|2,0,0]=4 3617 B13R2.3130 O=C1CCCC12CCCCCC2 Amb28202218 [0,0,0,2,0,0|0,0,2]=4 3618 B13R2.3130 OC1CCNC12CCCCCC2 Amb26609409 [0,0,0,2,0,0|1,0,0]=3 3619 B13R2.3130 OC1CCOC12CCCCCC2 Amb32990728 [0,0,0,2,0,0|1,0,0]=3 3620 B13R2.3140 BrC1CCCC1OCCC2CC2 Amb33348473 [0,0,0,2,0,0|2,0,0]=4 3621 B13R2.3140 IC1CCCC1OCCC2CC2 Amb33348780 [0,0,0,2,0,0|2,0,0]=4 3622 B13R2.3140 OC1CCCC1CC#CC2CC2 Amb32950161 [0,0,0,2,0,0|0,0,2]=4 3623 B13R2.3140 OC1CCCC1CCCC2CC2 Amb33213183 [0,0,0,2,0,0|0,0,0]=2 3624 B13R2.3140 OC1CNCC1CCCC2CC2 Amb32949078 [0,0,0,2,0,0|1,0,0]=3 3625 B13R2.3140 OC1COCC1CCCC2CC2 Amb32944538 [0,0,0,2,0,0|1,0,0]=3 3626 B13R2.3140 O[C@@H]1CCC[C@H]1CC#CC2CC2 Amb33213919 [0,0,0,2,0,0|0,0,2]=4 3627 B13R2.3140 O[C@@H]1CCC[C@H]1CCCC2CC2 Amb32950153 [0,0,0,2,0,0|0,0,0]=2 3628 B13R2.3140 O[C@@H]1CNC[C@H]1CCCC2CC2 Amb32950228 [0,0,0,2,0,0|1,0,0]=3 3629 B13R2.3140 O[C@@H]1COC[C@H]1CCCC2CC2 Amb32945044 [0,0,0,2,0,0|1,0,0]=3 3630 B13R2.646 CCC1CCC1NC2CCC2C Amb28345185 [0,0,0,2,0,0|2,0,0]=4 3631 B13R2.2043 CCC1NCC12CCCCCC2 Amb27831570 [0,0,0,2,0,0|2,0,0]=4 3632 B13R2.2058 NCC1CCN1CCCC2CC2 Amb33252311 [0,0,0,2,0,0|2,0,0]=4 3633 B13R2.2366 CCC1CC1CN2CCC2CN Amb33195281 [0,0,0,2,0,0|2,0,0]=4 3634 B13R2.2366 CC[C@@H]1C[C@H]1CN2CCC2CN Amb33195282 [0,0,0,2,0,0|2,0,0]=4 3635 B13R2.6841 C1CCCC(CNC2CC2)CC1 Amb18799001 [0,0,0,2,0,0|2,0,0]=4 3636 B13R2.6841 C1CCCC(NCC2CC2)CC1 Amb6686715 [0,0,0,2,0,0|2,0,0]=4 3637 B13R2.6841 C1CCCN(CCC2CO2)CC1 Amb27978732 [0,0,0,2,0,0|1,0,0]=3 3638 B13R2.6841 C1CCNC(CNC2CC2)CC1 Amb27591498 [0,0,0,2,0,0|2,0,0]=4 3639 B13R2.6841 C1CNCCC(CCC2CC2)C1 Amb27460759 [0,0,0,2,0,0|2,0,0]=4 3640 B13R2.6841 C1COCCN(CCC2CO2)C1 Amb27417074 [0,0,0,2,0,0|2,0,0]=4 3641 B13R2.4880 OC1CCC1C2=CCCCCC2 Amb32944533 [0,0,0,2,0,0|0,0,2]=4 3642 B13R2.4880 OC1CCC1C2CCCCCC2 Amb32944373 [0,0,0,2,0,0|0,0,0]=2 3643 B13R2.4880 OC1CCC1C2CCCCCN2 Amb33213769 [0,0,0,2,0,0|1,0,0]=3 3644 B13R2.4880 OC1CCC1N2CCCNCC2 Amb31198087 [0,0,0,2,0,0|2,0,0]=4 3645 B13R2.1411 COC1CC1C2CCCCCN2 Amb29857626 [0,0,0,2,0,0|2,0,0]=4 3646 B13R2.1411 NCC1CC1C2CCCCCC2 Amb26370703 [0,0,0,2,0,0|1,0,0]=3 3647 B13R2.1411 NC[C@@H]1C[C@H]1C2CCCCCC2 Amb32882192 [0,0,0,2,0,0|1,0,0]=3 3648 B13R2.1411 O=CC1CC1C2CCCCCC2 Amb32669257 [0,0,0,2,0,0|0,0,2]=4 3649 B13R2.1411 OCC1CC1N2CCCCCC2 Amb27664784 [0,0,0,2,0,0|1,0,0]=3