0 B13R0.2 CCCCCCCCCC(=O)OC=C Amb17672564 [0,0,0,0,0,0|0,0,4]=4 1 B13R0.2 CCCCCCCCNC(=O)CCCl Amb17327381 [0,0,0,0,0,0|3,0,1]=4 2 B13R0.2 CCCCCCCCOC(=O)CCC Amb22043399 [0,0,0,0,0,0|2,0,1]=3 3 B13R0.2 CCCCCCNCCC(=O)OCC Amb18334458 [0,0,0,0,0,0|1,0,2]=3 4 B13R0.2 CCCCC\C=C\CCC(=O)OCC Amb22052631 [0,0,0,0,0,0|0,0,4]=4 5 B13R0.2 CCOC(=O)CCCCCCCCBr Amb21520303 [0,0,0,0,0,0|1,0,2]=3 6 B13R0.2 CCOC(=O)\C=C\CCCCCCC Amb22035135 [0,0,0,0,0,0|0,0,0]=0 7 B13R0.2 CCOCCCCOCC(=O)OCC Amb24103488 [0,0,0,0,0,0|2,0,1]=3 8 B13R0.2 CNCC(=O)NCCCCCCCC Amb24115165 [0,0,0,0,0,0|3,0,1]=4 9 B13R0.2 OCCCCCCCCC(=O)OCC Amb17613857 [0,0,0,0,0,0|1,0,2]=3 10 B12R0.1 BrCCCCCCCC(=O)OCC Amb10604167 [1,0,0,0,0,0|1,0,1]=3 11 B12R0.1 CCCC(=O)NCCCCCCO Amb24072634 [1,0,0,0,0,0|3,0,0]=4 12 B12R0.1 CCCCCCCCC(=O)NCO Amb22043215 [1,0,0,0,0,0|2,0,1]=4 13 B12R0.1 CCCCCCCCC(=O)OC=C Amb17672563 [1,0,0,0,0,0|0,0,3]=4 14 B12R0.1 CCCNCCCOC(=O)CCC Amb18266004 [1,0,0,0,0,0|3,0,0]=4 15 B12R0.1 CCNC(=O)\C=C\CC\C=C/CC Amb24100439 [1,0,0,0,0,0|1,0,2]=4 16 B12R0.1 CCOC(=O)C#CCCCCCC Amb19888150 [1,0,0,0,0,0|0,0,2]=3 17 B12R0.1 CCOC(=O)CCCCCCCCl Amb22002672 [1,0,0,0,0,0|1,0,1]=3 18 B12R0.1 CCOC(=O)CCCCCCCF Amb24063238 [1,0,0,0,0,0|1,0,1]=3 19 B12R0.1 CCOC(=O)CCCCCCCN Amb19375589 [1,0,0,0,0,0|1,0,1]=3 20 B12R0.1 CNCC(=O)NCCCCCCC Amb20141923 [1,0,0,0,0,0|3,0,0]=4 21 B12R0.1 C\C=C\C(=O)OCCCCCCC Amb22730254 [1,0,0,0,0,0|2,0,1]=4 22 B12R0.5 CCCCCCCCCCOCC Amb24056425 [1,0,0,0,0,0|0,0,3]=4 23 B12R0.5 CCCCCCC\C=C\C=C\C=O Amb22045171 [1,0,0,0,0,0|2,0,1]=4 24 B12R0.5 CCCC\C=C/CCCCCCO Amb10563789 [1,0,0,0,0,0|2,0,1]=4 25 B12R0.5 CCC\C=C/CCCCCCCO Amb20243410 [1,0,0,0,0,0|2,0,1]=4 26 B12R0.5 CCC\C=C\CCCCCCCO Amb22734806 [1,0,0,0,0,0|2,0,1]=4 27 B12R0.248 CCCCCCCCC[14C](=O)O[Na] Amb22352051 [1,0,0,0,0,0|1,0,2]=4 28 B12R0.248 CCCCCCCCNC(=O)CBr Amb17329848 [1,0,0,0,0,0|2,0,1]=4 29 B12R0.248 CCCCCCCCNC(=O)CN Amb24115163 [1,0,0,0,0,0|2,0,1]=4 30 B12R0.248 CCCCCCCCOC(=O)CS Amb22735097 [1,0,0,0,0,0|2,0,1]=4 31 B12R0.248 CCCCCCCCOC(=O)C[NH3+] Amb22049491 [1,0,0,0,0,0|2,0,1]=4 32 B12R0.248 CCCCC\C=C\C=C\C(=O)OC Amb10068527 [1,0,0,0,0,0|0,0,2]=3 33 B12R0.248 CNCCCCCCCC(=O)OC Amb24331961 [1,0,0,0,0,0|1,0,2]=4 34 B12R0.248 OCCCCCCCCC(=O)OC Amb17616943 [1,0,0,0,0,0|1,0,2]=4 35 B14R0.73 CCCCC\C=C\C(=C\C(=O)OCC)\C Amb1043438 [0,1,0,0,0,0|0,0,2]=3 36 B14R0.83 CCOC(=O)C(=O)CCCCCCCC Amb22755738 [0,1,0,0,0,0|0,0,1]=2 37 B14R0.391 CCCCCCCCCC(=O)OC(C)C Amb22730709 [0,1,0,0,0,0|0,0,2]=3 38 B14R0.391 CCCCCCCCOC(=O)CC(C)C Amb22336390 [0,1,0,0,0,0|2,0,1]=4 39 B14R0.393 C=CCCCCCCCCC(=O)OCC Amb16193236 [0,1,0,0,0,0|0,0,3]=4 40 B14R0.393 CCCCCCCNCCC(=O)OCC Amb20171955 [0,1,0,0,0,0|0,0,2]=3 41 B14R0.393 CCNC(=O)CCNCCCCCCC Amb20171956 [0,1,0,0,0,0|1,0,2]=4 42 B14R0.393 CCOC(=O)C#CCCCCCCCC Amb22729218 [0,1,0,0,0,0|0,0,2]=3 43 B14R0.393 CCOC(=O)CCCCCCCCCBr Amb21945748 [0,1,0,0,0,0|0,0,2]=3 44 B14R0.493 CCCCCCCCCC(=O)OCC=C Amb22734929 [0,1,0,0,0,0|0,0,3]=4 45 B14R0.493 CCCCCCCCCC(=O)OCCC Amb22043408 [0,1,0,0,0,0|0,0,2]=3 46 B14R0.493 CCCCCCCCNC(=O)CCCCl Amb17329587 [0,1,0,0,0,0|2,0,1]=4 47 B14R1.216 CCCCCCCCC1CCNC1=O Amb2228130 [0,0,0,1,0,0|1,0,2]=4 48 B14R1.520 CCOC(=O)CCCC1CCNCC1 Amb19944566 [0,0,0,1,0,0|1,0,2]=4 49 B14R1.520 CCOC(=O)CCCN1CCCCC1 Amb24066207 [0,0,0,1,0,0|1,0,2]=4 50 B14R1.520 CCOC(=O)CSCC1CCCCN1 Amb22395636 [0,0,0,1,0,0|2,0,1]=4 51 B14R1.520 CCOC(=O)CSCC1CCNCC1 Amb22395593 [0,0,0,1,0,0|2,0,1]=4 52 B14R1.520 CCOC(=O)CSCC1CNCCC1 Amb22395615 [0,0,0,1,0,0|2,0,1]=4 53 B14R1.597 CC1CCCCCC1NC(=O)CCC Amb24441991 [0,0,0,1,0,0|2,0,1]=4 54 B14R1.597 CC1CCCCCC1NC(=O)NCC Amb25369218 [0,0,0,1,0,0|2,0,1]=4 55 B14R1.597 CCOC(=O)\C=C/1\CCCCCC1O Amb25813832 [0,0,0,1,0,0|1,0,0]=2 56 B14R1.598 CCOC(=O)C#C[C@H]1CCCC[C@@H]1O Amb24519685 [0,0,0,1,0,0|1,0,2]=4 57 B14R1.619 CCC1CCCCCN1C(=O)NCC Amb24458434 [0,0,0,1,0,0|2,0,1]=4 58 B14R1.622 CCOC(=O)C1=CCCCCCC1=O Amb17595188 [0,0,0,1,0,0|1,0,1]=3 59 B14R1.622 CCOC(=O)C=1CCCCCCC1N Amb25780686 [0,0,0,1,0,0|1,0,2]=4 60 B14R1.635 CCCCc1[nH]ncc1C(=O)OCC Amb10604433 [0,0,0,1,0,0|2,0,1]=4 61 B14R1.965 CCNC(=O)NC1CCCCC1CC Amb25137828 [0,0,0,1,0,0|2,0,1]=4 62 B14R1.3126 CCCCCNCc1cc(C)oc1C Amb23538280 [0,0,0,1,0,0|2,0,1]=4 63 B14R1.4408 O=C1C=CCCCCCCCCCN1 Amb24404897 [0,0,0,1,0,0|1,0,0]=2 64 B14R1.4408 O=C1CCCCCCCCCCC=C1 Amb25793577 [0,0,0,1,0,0|1,0,0]=2 65 B14R1.4408 O=C1OCCCCCCCCCCO1 Amb24459843 [0,0,0,1,0,0|1,0,1]=3 66 B14R1.4408 OC1CCCCCCCCCCC=C1 Amb25855851 [0,0,0,1,0,0|1,0,2]=4 67 B14R1.4408 O[C@H]1CCCCCCCCCCC=C1 Amb25098681 [0,0,0,1,0,0|1,0,2]=4 68 B14R1.7119 CCOC(=O)N1CCCCCCCC1 Amb24432320 [0,0,0,1,0,0|1,0,1]=3 69 B14R1.7146 CCOC(=O)CNC1CCCOCC1 Amb24271491 [0,0,0,1,0,0|2,0,1]=4 70 B14R1.7343 CCNC(=O)NC1CCCCCCC1 Amb24427382 [0,0,0,1,0,0|2,0,1]=4 71 B14R1.7343 CCOC(=O)C=C1CCCCCCC1 Amb22230459 [0,0,0,1,0,0|0,0,0]=1 72 B14R1.7343 CCOC(=O)\C=C/1\CCCCCCN1 Amb25364235 [0,0,0,1,0,0|1,0,0]=2 73 B11R0.3 CCCCCCCC\C=C\CO Amb22052644 [2,0,0,0,0,0|1,0,1]=4 74 B11R0.3 CCCCCC\C=C\C=C\CO Amb22732394 [2,0,0,0,0,0|1,0,1]=4 75 B11R0.3 CCCC\C=C\CCCCCC Amb22546624 [2,0,0,0,0,0|1,0,1]=4 76 B11R0.4 CCCCCCCC(=O)OC=C Amb17672562 [2,0,0,0,0,0|0,0,2]=4 77 B11R0.4 CCCCCCNC(=O)CCC Amb17855601 [2,0,0,0,0,0|2,0,0]=4 78 B11R0.4 CCCCSCCC(=O)OCC Amb1032991 [2,0,0,0,0,0|1,0,0]=3 79 B11R0.4 CCC\C=C/C=C/C(=O)OCC Amb10067180 [2,0,0,0,0,0|0,0,2]=4 80 B11R0.4 CCC\C=C\CCC(=O)OCC Amb22230696 [2,0,0,0,0,0|0,0,2]=4 81 B11R0.4 CCOC(=O)CCCCCCO Amb22230670 [2,0,0,0,0,0|1,0,0]=3 82 B11R0.4 CCOC(=O)CCCOCCI Amb22499114 [2,0,0,0,0,0|2,0,0]=4 83 B11R0.4 CCOC(=O)CCOCCCN Amb18111491 [2,0,0,0,0,0|2,0,0]=4 84 B11R0.4 CCOC(=O)CCOCCNC Amb18111839 [2,0,0,0,0,0|2,0,0]=4 85 B11R0.4 CCOC(=O)NCCCCCN Amb24103492 [2,0,0,0,0,0|2,0,0]=4 86 B11R0.4 OCCCCCNC(=O)OCC Amb13883047 [2,0,0,0,0,0|2,0,0]=4 87 B11R0.40 CCCCCCC#CC(=O)CC Amb10562239 [2,0,0,0,0,0|0,0,2]=4 88 B11R0.40 CCCCCCCNC(=O)CBr Amb17323631 [2,0,0,0,0,0|2,0,0]=4 89 B11R0.40 CCCCCCCNC(=O)CCl Amb17329833 [2,0,0,0,0,0|2,0,0]=4 90 B11R0.40 CCCCCCCNC(=O)CN Amb24115161 [2,0,0,0,0,0|2,0,0]=4 91 B11R0.40 CCCCC\C=C\CC(=O)OC Amb10807478 [2,0,0,0,0,0|0,0,2]=4 92 B11R0.40 CCCNCCCOC(=O)CC Amb18263176 [2,0,0,0,0,0|2,0,0]=4 93 B11R0.40 COC(=O)CCCCCCCBr Amb24063235 [2,0,0,0,0,0|1,0,1]=4 94 B11R0.40 COC(=O)CCCCCCCN Amb20669115 [2,0,0,0,0,0|1,0,1]=4 95 B11R0.40 COC(=O)CCCCCCCN Amb24331924 [2,0,0,0,0,0|1,0,1]=4 96 B11R0.40 COC(=O)NCCCCCCO Amb24095886 [2,0,0,0,0,0|2,0,0]=4 97 B11R0.148 CCCCCCCCC=C(C)C Amb22899462 [2,0,0,0,0,0|1,0,1]=4 98 B11R0.148 CCCCCCCCC[13C](O)=O Amb22353426 [2,0,0,0,0,0|0,0,2]=4 99 B11R0.148 CCCCCCCCNC(=O)C Amb10562300 [2,0,0,0,0,0|1,0,1]=4 100 B11R0.148 CCCCCCCC[13CH2][13C](O)=O Amb22054843 [2,0,0,0,0,0|0,0,2]=4 101 B11R0.148 CCCCCCCNCC(O)=O Amb19373457 [2,0,0,0,0,0|1,0,1]=4 102 B11R0.148 CCCCCCC\C=C\B(O)O Amb2456042 [2,0,0,0,0,0|1,0,1]=4 103 B11R0.148 CCCCCC\C=C/C=C(C)C Amb22546455 [2,0,0,0,0,0|1,0,1]=4 104 B11R0.148 CCCCCC\C=C\CC(=O)O Amb10807476 [2,0,0,0,0,0|0,0,2]=4 105 B11R0.148 [13CH3]CCCCCCCCC(O)=O Amb22367552 [2,0,0,0,0,0|0,0,2]=4 106 B13R0.66 CCCCCCCCC(=O)OCC=C Amb22353469 [1,1,0,0,0,0|0,0,2]=4 107 B13R0.66 CCCCCCCCC(=O)OCCC Amb22734143 [1,1,0,0,0,0|0,0,1]=3 108 B13R0.66 CCCCCCCNC(=O)CCCCl Amb17323882 [1,1,0,0,0,0|2,0,0]=4 109 B13R0.66 CCCCCCCNC(=O)CNCC Amb20141763 [1,1,0,0,0,0|2,0,0]=4 110 B13R0.66 CCCCCCCOC(=O)CCCCl Amb19960304 [1,1,0,0,0,0|2,0,0]=4 111 B13R0.66 CCCCCC\C=C\C(=O)OCC=C Amb17933928 [1,1,0,0,0,0|0,0,1]=3 112 B13R0.275 CCCCCCCC(Br)C(=O)OCC Amb24066457 [1,1,0,0,0,0|0,0,1]=3 113 B13R0.275 CCOC(=O)C(=O)\C=C\OCCCC Amb22900254 [1,1,0,0,0,0|1,0,1]=4 114 B13R0.275 C\C(=C/CCCCCC)\C(=O)OCC Amb22347682 [1,1,0,0,0,0|0,0,0]=2 115 B13R0.330 CCCCCCC(C)NC(=O)NCC Amb19200493 [1,1,0,0,0,0|2,0,0]=4 116 B13R0.330 OCCCCN\C(=C/C(=O)OCC)\C Amb2227281 [1,1,0,0,0,0|2,0,0]=4 117 B13R0.367 CCOC(=O)CC\C=C\C(=O)OCC Amb24117844 [1,1,0,0,0,0|1,0,1]=4 118 B13R0.1338 CCCCCCCCS(=O)(=O)OCC Amb22491818 [1,1,0,0,0,0|1,0,1]=4 119 B13R0.54 CCCCCCC\C=C\COC(C)=O Amb22730835 [1,1,0,0,0,0|0,0,2]=4 120 B13R0.147 CCCCCCC\C=C\CC(=O)CC Amb21963232 [1,1,0,0,0,0|1,0,1]=4 121 B13R0.150 CCCCCCCCNC(=O)C(Br)C Amb17327670 [1,1,0,0,0,0|1,0,1]=4 122 B13R0.150 CCCCCCCCNC(=O)C(C)O Amb22346363 [1,1,0,0,0,0|1,0,1]=4 123 B13R0.150 CCCCCCCCNC(=O)C(Cl)C Amb17329451 [1,1,0,0,0,0|1,0,1]=4 124 B13R0.150 CCCCCCCCOC(=O)C(C)C Amb22336265 [1,1,0,0,0,0|1,0,1]=4 125 B13R0.202 COC(=O)CCCCCCCC(C)C Amb22503804 [1,1,0,0,0,0|0,0,2]=4 126 B13R0.274 CCCCCCCC(=O)CC(=O)OC Amb17617713 [1,1,0,0,0,0|0,0,1]=3 127 B13R0.274 CCCCCCCC(O)CC(=O)OC Amb21928817 [1,1,0,0,0,0|0,0,2]=4 128 B13R0.274 CCCCCCC[C@H](CC(=O)OC)O Amb17615271 [1,1,0,0,0,0|0,0,2]=4 129 B15R0.3245 CCCCCCCNC(=O)C(=O)NC(C)C Amb1809791 [0,2,0,0,0,0|2,0,0]=4 130 B15R0.3232 CCCCCCCNNC(=O)OC(C)(C)C Amb24667802 [0,2,0,0,0,0|2,0,0]=4 131 B15R0.366 CCCCCCC=CCCCC(=O)OCC Amb24066550 [0,2,0,0,0,0|0,0,2]=4 132 B15R0.366 CCCCCCCCC\C=C\C(=O)OCC Amb10067118 [0,2,0,0,0,0|0,0,0]=2 133 B15R0.366 CCCCCCCCNCCC(=O)OCC Amb20673293 [0,2,0,0,0,0|0,0,2]=4 134 B15R0.366 CCCCCCCCSCCC(=O)OCC Amb1032998 [0,2,0,0,0,0|0,0,2]=4 135 B15R0.366 CCOC(=O)CCCCCCCCCCBr Amb22232003 [0,2,0,0,0,0|0,0,2]=4 136 B15R0.2002 CCCCCCCC\C=C\C(=O)OCC=C Amb17933942 [0,2,0,0,0,0|0,0,1]=3 137 B15R0.88 CCCCCCCCCC(=O)OCC(C)C Amb22733932 [0,2,0,0,0,0|0,0,2]=4 138 B15R0.322 CCCCCCCCCC(=O)OCCCC Amb22337724 [0,2,0,0,0,0|0,0,2]=4 139 B15R0.322 CCCCOC(=O)\C=C\CCCCCCC Amb22732854 [0,2,0,0,0,0|0,0,0]=2 140 B13R1.42 CC#CC(=O)\C=C/C1CCCCC1 Amb25192571 [1,0,0,1,0,0|1,0,1]=4 141 B13R1.42 CC#CC(=O)\C=C\C1CCCCC1 Amb24588907 [1,0,0,1,0,0|1,0,1]=4 142 B13R1.42 CCOC(=O)CCC1CCCCN1 Amb18328931 [1,0,0,1,0,0|1,0,1]=4 143 B13R1.42 CCOC(=O)CCC1CCNCC1 Amb22230647 [1,0,0,1,0,0|1,0,1]=4 144 B13R1.42 CCOC(=O)CCC1CNCCC1 Amb22482039 [1,0,0,1,0,0|1,0,1]=4 145 B13R1.42 CCOC(=O)CCN1CCCCC1 Amb1981444 [1,0,0,1,0,0|1,0,1]=4 146 B13R1.42 CCOC(=O)CNC1CCCCC1 Amb19374505 [1,0,0,1,0,0|1,0,1]=4 147 B13R1.42 CCOC(=O)\C=C\C1CCCCC1 Amb10067015 [1,0,0,1,0,0|0,0,0]=2 148 B13R1.42 CCOC(=O)\C=C\N1CCCCC1 Amb15691754 [1,0,0,1,0,0|1,0,0]=3 149 B13R1.119 CCCCCC\C=C\C1OCCO1 Amb25703092 [1,0,0,1,0,0|0,0,2]=4 150 B13R1.190 CC1CC(=O)OC1CCCCCC Amb22001856 [1,0,0,1,0,0|2,0,0]=4 151 B13R1.279 O=C1CCCCCCCCCCC1 Amb1935123 [1,0,0,1,0,0|1,0,1]=4 152 B13R1.279 O=C1CCCCCCCCCCN1 Amb22011853 [1,0,0,1,0,0|1,0,1]=4 153 B13R1.279 O=C1NCCCCCCCCCN1 Amb24616274 [1,0,0,1,0,0|2,0,0]=4 154 B13R1.404 CCOC(=O)CCNC1CCCC1 Amb19887560 [1,0,0,1,0,0|1,0,1]=4 155 B13R1.404 CCOC(=O)\C=N/OC1CCCC1 Amb24103474 [1,0,0,1,0,0|2,0,0]=4 156 B13R1.443 CCNC(=O)NC1CCCC1CC Amb25206172 [1,0,0,1,0,0|2,0,0]=4 157 B13R1.444 CC1CCCC1CNC(=O)NCC Amb25157709 [1,0,0,1,0,0|2,0,0]=4 158 B13R1.463 CCNC(=O)N1CCCCCC1C Amb24416414 [1,0,0,1,0,0|2,0,0]=4 159 B13R1.463 CCOC(=O)C1=CCCCCC1=O Amb17594687 [1,0,0,1,0,0|1,0,1]=4 160 B13R1.463 CCOC(=O)C1CCCCCC1O Amb24391606 [1,0,0,1,0,0|1,0,1]=4 161 B13R1.463 CCOC(=O)N1CCCNCC1C Amb17578442 [1,0,0,1,0,0|2,0,0]=4 162 B13R1.463 CCOC(=O)N1CCNCCC1C Amb17578444 [1,0,0,1,0,0|2,0,0]=4 163 B13R1.463 CCOC(=O)N1CCSCCC1C Amb24732657 [1,0,0,1,0,0|2,0,0]=4 164 B13R1.463 CCOC(=O)[C@@H]1CCCCC[C@H]1O Amb24593894 [1,0,0,1,0,0|1,0,1]=4 165 B13R1.463 CCOC(=O)[C@H]1CCCCC[C@@H]1O Amb24556803 [1,0,0,1,0,0|1,0,1]=4 166 B13R1.463 CCOC(=O)[C@H]1CCCCC[C@H]1O Amb10601393 [1,0,0,1,0,0|1,0,1]=4 167 B13R1.464 CCOC(=O)C=1CCCCC1NC Amb25732003 [1,0,0,1,0,0|1,0,1]=4 168 B13R1.470 CC1CCCCC1CC(=O)NCC Amb24404326 [1,0,0,1,0,0|1,0,1]=4 169 B13R1.470 CC1CCCCC1NC(=O)NCC Amb25375686 [1,0,0,1,0,0|2,0,0]=4 170 B13R1.470 CC1CCNCC1NC(=O)OCC Amb25281401 [1,0,0,1,0,0|2,0,0]=4 171 B13R1.470 CC1CNCCC1CC(=O)OCC Amb23439503 [1,0,0,1,0,0|1,0,1]=4 172 B13R1.470 CCCC(=O)NC1CCCCC1C Amb13958262 [1,0,0,1,0,0|2,0,0]=4 173 B13R1.470 CCOC(=O)NC1CCCCC1Cl Amb25290230 [1,0,0,1,0,0|2,0,0]=4 174 B13R1.470 CCOC(=O)NC1CCCCC1N Amb18971455 [1,0,0,1,0,0|2,0,0]=4 175 B13R1.470 CCOC(=O)NC1CCCCC1O Amb18327402 [1,0,0,1,0,0|2,0,0]=4 176 B13R1.470 CCOC(=O)N[C@@H]1CCCC[C@H]1F Amb24430699 [1,0,0,1,0,0|2,0,0]=4 177 B13R1.470 CCOC(=O)N[C@H]1CCCC[C@@H]1Cl Amb24539929 [1,0,0,1,0,0|2,0,0]=4 178 B13R1.470 CCOC(=O)N[C@H]1CCCC[C@@H]1O Amb24406162 [1,0,0,1,0,0|2,0,0]=4 179 B13R1.470 CCOC(=O)N[C@H]1CCCC[C@H]1Cl Amb24760178 [1,0,0,1,0,0|2,0,0]=4 180 B13R1.470 CCOC(=O)\C=C/1\CCCCC1Cl Amb25785178 [1,0,0,1,0,0|1,0,0]=3 181 B13R1.470 CCOC(=O)\C=C\1/CCNCC1C Amb25082894 [1,0,0,1,0,0|1,0,0]=3 182 B13R1.654 CCCCCCCC1CCOC1=O Amb22230225 [1,0,0,1,0,0|0,0,1]=3 183 B13R1.654 CCCCCCCN1CCCC1=O Amb20621393 [1,0,0,1,0,0|2,0,0]=4 184 B13R1.1464 CCCC(=O)C=1CCCCCCC1 Amb24496639 [1,0,0,1,0,0|1,0,0]=3 185 B13R1.1464 CCCC(=O)N1CCCCCCC1 Amb2125376 [1,0,0,1,0,0|2,0,0]=4 186 B13R1.1464 CCNC(=O)N1CCCCCCC1 Amb25829881 [1,0,0,1,0,0|2,0,0]=4 187 B13R1.1464 CCOC(=O)C1CCCCCCC1 Amb25063758 [1,0,0,1,0,0|0,0,1]=3 188 B13R1.1464 CCOC(=O)C1CCCCCCN1 Amb25104056 [1,0,0,1,0,0|1,0,1]=4 189 B13R1.1464 CCOC(=O)N1CCCCCCC1 Amb2125369 [1,0,0,1,0,0|1,0,0]=3 190 B13R1.1575 CCOC(=O)CC1CCCCCC1 Amb10807917 [1,0,0,1,0,0|0,0,1]=3 191 B13R1.1575 CCOC(=O)CC1CCCCCN1 Amb22498856 [1,0,0,1,0,0|1,0,1]=4 192 B13R1.1575 CCOC(=O)NC1CCCOCC1 Amb24732658 [1,0,0,1,0,0|2,0,0]=4 193 B13R1.1575 CCOC(=O)NC1CNCCCC1 Amb25047115 [1,0,0,1,0,0|2,0,0]=4 194 B13R1.1575 CCOC(=O)NN1CCCCCC1 Amb25668045 [1,0,0,1,0,0|2,0,0]=4 195 B13R1.1575 CCOC(=O)\C=C/1\CCCCCN1 Amb18823238 [1,0,0,1,0,0|1,0,0]=3 196 B13R1.1575 CCOC(=O)\C=C\1/CCCCCN1 Amb22725441 [1,0,0,1,0,0|1,0,0]=3 197 B13R1.1650 CCCCC1CC=CC(=O)CC1Cl Amb24490474 [1,0,0,1,0,0|2,0,0]=4 198 B13R1.2792 CN1CCCCC=CC(=O)NCC1 Amb25041151 [1,0,0,1,0,0|2,0,0]=4 199 B13R1.2792 OC1CCOC(=O)CCCCCC1 Amb24462040 [1,0,0,1,0,0|1,0,1]=4 200 B13R1.27 CCCCCCCC1CCC(=O)O1 Amb1154110 [1,0,0,1,0,0|1,0,1]=4 201 B13R1.91 CCC(=O)NC1CCCCC1CC Amb25039345 [1,0,0,1,0,0|1,0,1]=4 202 B13R1.91 CCC1CCCCC1NC(=O)OC Amb25301109 [1,0,0,1,0,0|1,0,1]=4 203 B13R1.382 CCCC1CCC=CN1C(=O)OC Amb24060025 [1,0,0,1,0,0|1,0,1]=4 204 B13R1.527 CC1CCCCCC1NC(=O)CC Amb25727411 [1,0,0,1,0,0|1,0,1]=4 205 B13R1.527 COC(=O)CN1CCCCCC1C Amb24746790 [1,0,0,1,0,0|1,0,1]=4 206 B13R1.528 CC1C=CCCC1\C=C\C(=O)CC Amb24612150 [1,0,0,1,0,0|0,0,2]=4 207 B13R1.528 CC1CCCCC1CNC(=O)CC Amb24723017 [1,0,0,1,0,0|1,0,1]=4 208 B13R1.528 CC1CCCCC1\C=C\C(=O)OC Amb25374527 [1,0,0,1,0,0|0,0,0]=2 209 B13R1.528 COC(=O)\C=C\C1OCCCC1O Amb24688131 [1,0,0,1,0,0|2,0,0]=4 210 B13R1.528 COC(=O)\C=C\N1CCCCC1C Amb25353058 [1,0,0,1,0,0|1,0,0]=3 211 B13R1.528 COC(=O)\C=C\N1CCOCC1C Amb25803379 [1,0,0,1,0,0|2,0,0]=4 212 B13R1.528 COC(=O)\C=C\N1CCSCC1C Amb24730147 [1,0,0,1,0,0|2,0,0]=4 213 B13R1.528 COC(=O)\C=C\[C@H]1OCCC[C@@H]1O Amb24748250 [1,0,0,1,0,0|2,0,0]=4 214 B13R1.536 COC(=O)C#CCCC1CCCC1 Amb24758508 [1,0,0,1,0,0|0,0,2]=4 215 B13R1.599 CC1CCCC1N\C=C\C(=O)OC Amb25841860 [1,0,0,1,0,0|1,0,0]=3 216 B13R1.599 CC1OCCC1N\C=C\C(=O)OC Amb25342805 [1,0,0,1,0,0|2,0,0]=4 217 B13R1.599 CC1SCCC1N\C=C\C(=O)OC Amb24434387 [1,0,0,1,0,0|2,0,0]=4 218 B13R1.599 COC(=O)\C=C\NC1CCCC1O Amb25774012 [1,0,0,1,0,0|2,0,0]=4 219 B13R1.611 CCC1CCCCCN1C(=O)OC Amb25155679 [1,0,0,1,0,0|1,0,1]=4 220 B13R1.718 CCC(=O)\C=C\NC1CCCCC1 Amb25254777 [1,0,0,1,0,0|1,0,0]=3 221 B13R1.718 COC(=O)\C=C\NC1CCOCC1 Amb24385382 [1,0,0,1,0,0|2,0,0]=4 222 B13R1.718 COC(=O)\C=C\NC1COCCC1 Amb25710687 [1,0,0,1,0,0|2,0,0]=4 223 B13R1.1689 CCC(=O)N1CCCCCCCC1 Amb25169088 [1,0,0,1,0,0|1,0,1]=4 224 B13R1.1689 COC(=O)N1CCCCCCCC1 Amb25097230 [1,0,0,1,0,0|1,0,1]=4 225 B13R1.1711 COC(=O)C#CC1CCCCCC1 Amb25278204 [1,0,0,1,0,0|0,0,2]=4 226 B13R1.1711 COC(=O)NCC1CCCCCC1 Amb24626429 [1,0,0,1,0,0|1,0,1]=4 227 B13R1.1711 COC(=O)\C=C\C1CCCCCC1 Amb24702978 [1,0,0,1,0,0|0,0,0]=2 228 B13R1.1870 CCC(=O)CN1CCCCCCC1 Amb19074506 [1,0,0,1,0,0|1,0,1]=4 229 B13R1.1870 COC(=O)C=C1CCCCCCC1 Amb25180453 [1,0,0,1,0,0|0,0,0]=2 230 B13R1.1870 COC(=O)NC1CCCCCCC1 Amb17739564 [1,0,0,1,0,0|1,0,1]=4 231 B13R1.1870 COC(=O)NC=1CCCCCCC1 Amb25224448 [1,0,0,1,0,0|1,0,1]=4 232 B13R1.1870 COC(=O)OC1CCCCCCC1 Amb25782061 [1,0,0,1,0,0|1,0,1]=4 233 B13R1.1870 OCC(=O)C=C1CCCCCCC1 Amb25065458 [1,0,0,1,0,0|1,0,0]=3 234 B13R1.1885 CCCCCCC1CC1C(=O)OC Amb24100754 [1,0,0,1,0,0|0,0,2]=4 235 B15R1.11 CCOC(=O)CCCC1CCC(O)CC1 Amb20248843 [0,1,0,1,0,0|0,0,2]=4 236 B15R1.809 CCOC(=O)CC(=O)CC1CCCCC1 Amb20673091 [0,1,0,1,0,0|0,0,1]=3 237 B15R1.16518 CC=1NCCC(OCC)C1C(=O)OCC Amb24062444 [0,1,0,1,0,0|2,0,0]=4 238 B15R1.826 CCOC(=O)[C@@H](O)CCC1CCCCC1 Amb22350458 [0,1,0,1,0,0|0,0,2]=4 239 B15R1.826 CCOC(=O)[C@H](CCC1CCCCC1)N Amb16230921 [0,1,0,1,0,0|0,0,2]=4 240 B15R1.1167 CCOC(=O)c1c[s]c(CCCCC)[n]1 Amb24099787 [0,1,0,1,0,0|1,0,1]=4 241 B15R1.3954 CCC1CCCCN1C(=O)C(=O)OCC Amb22893463 [0,1,0,1,0,0|1,0,0]=3 242 B15R1.16791 CC(C(=O)OCC)=C1CCCCCCC1 Amb25341573 [0,1,0,1,0,0|0,0,0]=2 243 B15R1.16791 CCOC(=O)C(=O)N1CCCCCCC1 Amb16187000 [0,1,0,1,0,0|1,0,0]=3 244 B15R1.778 CCOC(=O)CSCCC1CCCCN1 Amb22395663 [0,1,0,1,0,0|1,0,1]=4 245 B15R1.832 CCCCC1CC1CCCC(=O)OCC Amb1946108 [0,1,0,1,0,0|0,0,2]=4 246 B15R1.1145 CC(C)OC(=O)CN1CCCCC1CC Amb21541238 [0,1,0,1,0,0|1,0,1]=4 247 B15R1.2461 CCOC(=O)CCCN1CCCCCC1 Amb21540734 [0,1,0,1,0,0|0,0,2]=4 248 B15R2.31 O=C1CCCC(CC2CCOCC2)=C1 Amb24420124 [0,0,0,2,0,0|2,0,0]=4 249 B15R2.1117 O=C1CCCC(CCC2CCCC2)=C1 Amb25190693 [0,0,0,2,0,0|1,0,0]=3 250 B15R2.1117 O=C1CCCC(CCC2COCC2)=C1 Amb25235094 [0,0,0,2,0,0|2,0,0]=4 251 B15R2.2188 COC1CCCC1C=2CCCC(=O)C2 Amb24685519 [0,0,0,2,0,0|2,0,0]=4 252 B15R2.7124 O=C1CCCC(=C1)C2CCCCCC2 Amb25096985 [0,0,0,2,0,0|1,0,0]=3 253 B15R2.55 O=C/1CCC\C1=C/NC2CCCCC2 Amb25299243 [0,0,0,2,0,0|2,0,0]=4 254 B15R2.55 O=C1CCCC1=CNC2CCCCC2 Amb24518476 [0,0,0,2,0,0|2,0,0]=4 255 B15R2.2326 CCC1CCCC1NC2CCOC2=O Amb24337938 [0,0,0,2,0,0|1,0,1]=4 256 B15R2.8453 O=C/1CCC\C1=C\2/CCCCCCN2 Amb25363404 [0,0,0,2,0,0|2,0,0]=4 257 B15R2.8453 O=C1CCCC1=C2CCCCCCN2 Amb24519546 [0,0,0,2,0,0|2,0,0]=4 258 B15R2.8453 O=C1OCCC1N2CCCCCCC2 Amb19263071 [0,0,0,2,0,0|1,0,1]=4 259 B15R2.14948 O=C1CC(Cl)CC2CCCCCC2=C1 Amb24418458 [0,0,0,2,0,0|2,0,0]=4 260 B15R2.73 CCOC(=O)C1CCC2CCCCN21 Amb25138094 [0,0,0,2,0,0|1,0,1]=4 261 B15R2.73 CCOC(=O)N1CCC2CCCCC12 Amb25738842 [0,0,0,2,0,0|1,0,1]=4 262 B15R2.73 CCOC(=O)N1CC[C@@H]2CCCC[C@H]12 Amb24592916 [0,0,0,2,0,0|1,0,1]=4 263 B15R2.3562 CCOC(=O)NC1C[C@H]2CC[C@@H]1CC2 Amb25097340 [0,0,0,2,0,0|1,0,1]=4 264 B15R2.3562 CCOC(=O)N[C@@H]1C[C@@H]2CC[C@@H]1CC2 Amb25311119 [0,0,0,2,0,0|1,0,1]=4 265 B15R2.93174 CCOC(=O)N[C@@H]1C[C@H]2CCCC[C@H]21 Amb25256739 [0,0,0,2,0,0|1,0,1]=4 266 B15R2.1356 CCOC(=O)N1CC2CCCCC2C1 Amb25797325 [0,0,0,2,0,0|1,0,1]=4 267 B15R2.1356 CCOC(=O)[C@@H]1CC2CCCCC2N1 Amb25096384 [0,0,0,2,0,0|1,0,1]=4 268 B15R2.1356 CCOC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1 Amb22831730 [0,0,0,2,0,0|1,0,1]=4 269 B15R2.17182 CC1CCCCC12OC2C(=O)OCC Amb25749945 [0,0,0,2,0,0|1,0,1]=4 270 B15R2.74417 CCOC(=O)C1OC12CCCCCC2 Amb25040598 [0,0,0,2,0,0|1,0,1]=4