0 B23R0.36743 CCCCCC(=O)CCCCCCCCCCCCCCCCC Amb22359803 [0,0,0,0,0,0|1,0,0]=1 1 B23R0.36743 CCCCCCCCCCCCCCCCNC(=O)CNCCC Amb20081670 [0,0,0,0,0,0|3,0,0]=3 2 B22R0.37843 CCCCCCCCCCCCCCCCCCCCCCO Amb22338495 [1,0,0,0,0,0|2,0,1]=4 3 B22R0.37843 CCCCCCCCCCCCCCCCCCCCCCS Amb24323614 [1,0,0,0,0,0|2,0,1]=4 4 B22R0.37843 CCCCCCCCCCCCCCCCCCOCCC#N Amb22359813 [1,0,0,0,0,0|1,0,2]=4 5 B22R0.37843 CCCCCCCCCCCCCCCCNCCCCCC Amb20076225 [1,0,0,0,0,0|2,0,1]=4 6 B22R0.37843 CCCCCCCCCCCNCCCCCCCCCCC Amb22359576 [1,0,0,0,0,0|2,0,1]=4 7 B22R0.37843 CCCCCCCCCCCOCCCCCCCCCCC Amb22731681 [1,0,0,0,0,0|2,0,1]=4 8 B22R0.37843 CCCCCCCCCCCSCCCCCCCCCCC Amb22359734 [1,0,0,0,0,0|2,0,1]=4 9 B22R0.38515 CCCCCCCCCCCCCCCCCC(=O)NCC=C Amb17933938 [1,0,0,0,0,0|1,0,2]=4 10 B22R0.38515 CCCCCCCCCCCCCCCCCC(=O)OCC#C Amb22359184 [1,0,0,0,0,0|0,0,2]=3 11 B22R0.38515 CCCCCCCCCCCCCCCCCC(=O)OCC=C Amb17933939 [1,0,0,0,0,0|0,0,2]=3 12 B22R0.38515 CCCCCCCCCCCCCCCCCC(=O)OCCC Amb22387526 [1,0,0,0,0,0|0,0,0]=1 13 B22R0.38515 CCCCCCCCCCCCCCCCNC(=O)CCCCl Amb2121817 [1,0,0,0,0,0|2,0,0]=3 14 B22R0.38515 CCCCCCCCCCCCCCCCNC(=O)CNCC Amb20141738 [1,0,0,0,0,0|2,0,0]=3 15 B22R0.38515 CCCCCCCC\C=C\CCCCCCCC(=O)OCCC Amb22733443 [1,0,0,0,0,0|0,0,2]=3 16 B24R0.8562 CCCCCCCCCCCCCCCCNCC(=O)NCCCC Amb19967261 [0,1,0,0,0,0|1,0,0]=2 17 B24R0.8562 CCCCCCCCCCCCCCCCNCC(=O)NCCOC Amb19967283 [0,1,0,0,0,0|2,0,0]=3 18 B24R0.20923 CCCCCC[C@@H](O)C\C=C/CCCCCCCC(=O)OCCCC Amb22799865 [0,1,0,0,0,0|0,0,2]=3 19 B24R0.25590 CCCCCCCCCCCCCCCCCC(=O)NCC(CO)O Amb17613091 [0,1,0,0,0,0|2,0,0]=3 20 B24R0.25590 CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)CCl Amb19133926 [0,1,0,0,0,0|1,0,0]=2 21 B24R0.25590 CCCCCCCCCCCCCCCCCC(=O)OC[C@H](O)CO Amb22337629 [0,1,0,0,0,0|1,0,0]=2 22 B24R0.25590 CCCCCCCCCCCCCCCCNC(=O)CNC(C)CC Amb20218890 [0,1,0,0,0,0|3,0,0]=4 23 B24R0.25590 CCCCCCCC\C=C/CCCCCCCC(=O)OCC(Cl)CO Amb22055977 [0,1,0,0,0,0|1,0,2]=4 24 B24R0.25590 CCCCCCCC\C=C/CCCCCCCC(=O)OCC(O)CCl Amb22055978 [0,1,0,0,0,0|1,0,2]=4 25 B24R0.25590 CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](O)CO Amb19133513 [0,1,0,0,0,0|1,0,2]=4 26 B24R0.25594 CCCCCCCCCCCCCCCCCC(=O)N\N=C\CCC Amb22347520 [0,1,0,0,0,0|1,0,1]=3 27 B24R0.25594 CCCCCCCCCCCCCCCCNC(=O)CNCCCC Amb19969697 [0,1,0,0,0,0|2,0,0]=3 28 B24R0.25594 CCCCCCCCCCCCCCCCNC(=O)CNCCOC Amb20082462 [0,1,0,0,0,0|3,0,0]=4 29 B24R0.25594 CCCCCOC(=O)CCCCCCCCCCCCCCCCC Amb22732652 [0,1,0,0,0,0|0,0,0]=1 30 B24R0.34069 CCCCCCCCCCCCCCCCCC(=O)OCCN(C)C Amb24105712 [0,1,0,0,0,0|1,0,0]=2 31 B24R0.34308 CCOC(=O)CC(=O)CCCCCCCCCCCCCCCCC Amb22346104 [0,1,0,0,0,0|2,0,1]=4 32 B24R1.1561479 CCCCCCCCCCCCCCCCCC(=O)OCC1OC1 Amb17614819 [0,0,0,1,0,0|1,0,0]=2 33 B24R1.1561479 CCCCCCCC\C=C/CCCCCCCC(=O)OCC1OC1 Amb17614813 [0,0,0,1,0,0|1,0,2]=4 34 B24R1.1561479 [13CH3][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2]\[13CH]=[13CH]/[13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13C](=O)OCC1OC1 Amb17614815 [0,0,0,1,0,0|1,0,2]=4 35 B21R0.36664 CCCCCCCCCCCCCCCCCCOCCO Amb13883668 [2,0,0,0,0,0|1,0,1]=4 36 B21R0.2971 CCCCCCCCCCCCCCCC(=O)OCCCC Amb22040073 [2,0,0,0,0,0|0,0,0]=2 37 B21R0.2971 CCCCCCCCCCCCCCCC(=O)OCCSC Amb21618714 [2,0,0,0,0,0|1,0,0]=3 38 B21R0.2907 CCCCCCCCCCCCCCCCCC(=O)NCO Amb22002301 [2,0,0,0,0,0|2,0,0]=4 39 B21R0.2907 CCCCCCCCCCCCCCCCCC(=O)OC=C Amb17672567 [2,0,0,0,0,0|0,0,2]=4 40 B21R0.2907 CCCCCCCCCCC\C=C\CCCCC(=O)OCC Amb22350169 [2,0,0,0,0,0|0,0,2]=4 41 B21R0.2907 CNCC(=O)NCCCCCCCCCCCCCCCC Amb20141781 [2,0,0,0,0,0|2,0,0]=4 42 B23R0.26685 CCCCCCCCCCCCCCCCC(=O)OCC(CCl)O Amb17614893 [1,1,0,0,0,0|1,0,0]=3 43 B23R0.26685 CCCCCCCCCCCCCCCCC(=O)OCC(O)CO Amb21928897 [1,1,0,0,0,0|1,0,0]=3 44 B23R0.9276 CCCCCCCCCCCCCCCCCC(=O)OCC(C)C Amb22732707 [1,1,0,0,0,0|0,0,0]=2 45 B23R0.9276 CCCCCCCCCCCCCCCCNC(=O)CNC(C)C Amb19971223 [1,1,0,0,0,0|2,0,0]=4 46 B23R0.9276 CCCCCCCC\C=C/CCCCCCCC(=O)OCC(C)O Amb22492452 [1,1,0,0,0,0|0,0,2]=4 47 B23R0.37240 CCCCCCCCCCCCCCCCCC(=O)CC(=O)OC Amb22360527 [1,1,0,0,0,0|1,0,1]=4 48 B25R0.23687 CCCCCCCCCCCCCCCCNCC(=O)NCCCOC Amb19967335 [0,2,0,0,0,0|1,0,0]=3 49 B25R0.2054488 CCCCCCCCCCCCCCCCCCC(=O)OCC(O)CO Amb21928902 [0,2,0,0,0,0|1,0,0]=3 50 B25R0.23759 CCCCCCCCCCCCCCCCCC(=O)CCCCC(O)=O Amb22366617 [0,2,0,0,0,0|1,0,1]=4 51 B25R0.23759 CCCCCCCCCCCCCCCCOC(=O)CCCCC(C)C Amb22734061 [0,2,0,0,0,0|2,0,0]=4 52 B25R0.23762 CCCCCCCC(=O)OCCCCCCCCCCCCCCCC Amb22733862 [0,2,0,0,0,0|2,0,0]=4 53 B25R0.23762 CCCCCCCCCCCCCCCCCC(=O)OCCOCCO Amb22729247 [0,2,0,0,0,0|0,0,0]=2 54 B25R0.23762 CCCCCCCCCCCCCCCCNC(=O)CNCCCOC Amb20219270 [0,2,0,0,0,0|2,0,0]=4 55 B25R0.23762 CCCCCCCC\C=C/CCCCCCCC(=O)OCCOCCO Amb22729248 [0,2,0,0,0,0|0,0,2]=4 56 B25R0.23768 CCCCCCCCCCCCCCCCCC(=O)OCCN(C)(C)C Amb22730758 [0,2,0,0,0,0|1,0,0]=3 57 B23R1.38917 CCCCCCCCCCCCCCCCCC1CCCCC1 Amb22730435 [1,0,0,1,0,0|1,0,1]=4 58 B25R1.42587 CCCCCCCCCCCCCCCCNC(=O)C1CCNCC1 Amb19961726 [0,1,0,1,0,0|2,0,0]=4 59 B25R1.42587 CCCCCCCCCCCCCCCCNC(=O)C1CNCCC1 Amb19961782 [0,1,0,1,0,0|2,0,0]=4