0 B22R0.37843 CCCCCCCCCCCCCCCCCCCCCC=O Amb20669633 [0,0,0,0,0,0|0,0,2]=2 1 B22R0.37843 CCCCCCCCCCCCCCCCCCCCCCBr Amb9787289 [0,0,0,0,0,0|1,0,0]=1 2 B22R0.37843 CCCCCCCCCCCCCCCCCCCCCCC Amb8516823 [0,0,0,0,0,0|1,0,0]=1 3 B22R0.37843 CCCCCCCCCCCCCCCCCCCCCCN Amb31270583 [0,0,0,0,0,0|1,0,0]=1 4 B22R0.37843 CCCCCCCCCCCCCCCCCCCCCCO Amb8390729 [0,0,0,0,0,0|0,0,0]=0 5 B22R0.37843 CCCCCCCCCCCCCCCCCCCCCCS Amb24323614 [0,0,0,0,0,0|0,1,0]=1 6 B22R0.37843 CCCCCCCCCCCCCCCCNCCCNCC Amb20171928 [0,0,0,0,0,0|3,0,0]=3 7 B22R0.37843 CCCCCCCCOCCSCCOCCCCCCCC Amb33718882 [0,0,0,0,0,0|4,0,0]=4 8 B22R0.37843 CCCCCCCC\C=C/CCCCCCCCCCCCC Amb2695274 [0,0,0,0,0,0|1,0,2]=3 9 B21R0.36664 C=CCCCCCCCCCCCCCCCCCCCC Amb19930029 [1,0,0,0,0,0|0,0,2]=3 10 B21R0.36664 CCCCCCCCCCCCCCCCCCNCCO Amb9787072 [1,0,0,0,0,0|1,0,0]=2 11 B21R0.36664 CCCCCCCCCCCCCCCCCCOCCO Amb13883668 [1,0,0,0,0,0|1,0,0]=2 12 B21R0.36664 CCCCCCCCCCCCCCCCNCCCNC Amb20171923 [1,0,0,0,0,0|2,0,0]=3 13 B21R0.36664 CCCCCCCCCCCCNCCOCCOCCO Amb9793607 [1,0,0,0,0,0|3,0,0]=4 14 B21R0.36664 CCCCCCCCCCCCOCCOCCOCCO Amb9787190 [1,0,0,0,0,0|3,0,0]=4 15 B21R0.36664 CCCCCCCCCCSSCCCCCCCCCC Amb15691674 [1,0,0,0,0,0|2,0,0]=3 16 B21R0.36664 ClCCCCCCCCCCCCCCCCCCCCCl Amb22641783 [1,0,0,0,0,0|2,0,0]=3 17 B21R0.36664 OCCCCCCCCCCCCCCCCCCCCBr Amb2694965 [1,0,0,0,0,0|1,0,0]=2 18 B23R0.47 CCCCCCCCCCCCCCCCCCCCCCCC Amb8513347 [0,1,0,0,0,0|1,0,0]=2 19 B23R0.47 CCCCCCCCCCCCCCOCCOCCOCCO Amb9787660 [0,1,0,0,0,0|2,0,0]=3 20 B23R0.47 CCCCCCCCCCCC\C=C\CC\C=C\CCCCCO Amb33987813 [0,1,0,0,0,0|0,0,3]=4 21 B23R0.9269 CCCCCCCCCCCCCCCCCCCCC(=O)OC Amb21928802 [0,1,0,0,0,0|2,0,1]=4 22 B23R0.9269 CCCCCCCCCCCCCCCCCCOCC(O)CO Amb8392873 [0,1,0,0,0,0|1,0,0]=2 23 B23R0.36661 CCCCCCCCCCCCCCCCCCCC(=O)OCC Amb22349623 [0,1,0,0,0,0|2,0,1]=4 24 B23R0.36661 CCCCCCCCCCCCCCCCCCCC(=O)OCI Amb32413739 [0,1,0,0,0,0|2,0,1]=4 25 B23R0.36743 CCCCCCCCCCCCCCCCCC(=O)OCCCC Amb8394661 [0,1,0,0,0,0|2,0,1]=4 26 B23R0.36959 CCCCCCCCCCCCCCCCCCCCCC(=O)O Amb533227 [0,1,0,0,0,0|0,0,1]=2 27 B23R0.36959 CCCCCCCCCCCCCCCCCCCCOC(C)=O Amb33961490 [0,1,0,0,0,0|1,0,2]=4 28 B23R0.36959 CCCCCCCC\C=C/CCCCCCCCCCCC(=O)O Amb8386646 [0,1,0,0,0,0|0,0,3]=4 29 B23R0.36959 CCCCCCCC\C=C\CCCCCCCCCCCC(=O)O Amb3995088 [0,1,0,0,0,0|0,0,3]=4 30 B20R0.2932 CCCCCCCCCCCCCCCCCCCC=O Amb31276940 [2,0,0,0,0,0|0,0,2]=4 31 B20R0.2932 CCCCCCCCCCCCCCCCCCCCBr Amb6366539 [2,0,0,0,0,0|1,0,0]=3 32 B20R0.2932 CCCCCCCCCCCCCCCCCCCCC Amb8516164 [2,0,0,0,0,0|0,0,0]=2 33 B20R0.2932 CCCCCCCCCCCCCCCCCCCCCl Amb9787516 [2,0,0,0,0,0|1,0,0]=3 34 B20R0.2932 CCCCCCCCCCCCCCCCCCCCN Amb21856094 [2,0,0,0,0,0|1,0,0]=3 35 B20R0.2932 CCCCCCCCCCCCCCCCCCCCO Amb33779545 [2,0,0,0,0,0|0,0,0]=2 36 B20R0.2932 CCCCCCCCCCCCCCCCCCCCO Amb8514509 [2,0,0,0,0,0|0,0,0]=2 37 B20R0.2932 CCCCCCCCCCCCCCCCNCCCC Amb9787050 [2,0,0,0,0,0|1,0,0]=3 38 B20R0.2932 CCCCCCCCCCCCCCCCNCCCN Amb20171946 [2,0,0,0,0,0|2,0,0]=4 39 B20R0.2932 CCCCCCCCCCCCCCCCOCCCO Amb22236126 [2,0,0,0,0,0|1,0,0]=3 40 B20R0.2932 CCCCCCCCCCCCCCOCCOCCO Amb22350712 [2,0,0,0,0,0|2,0,0]=4 41 B20R0.2932 CCCCCCCCCCNCCCCCCCCCC Amb29844640 [2,0,0,0,0,0|1,0,0]=3 42 B20R0.2932 CCCCCCCCCCNCCCCCCCCCC Amb9787063 [2,0,0,0,0,0|1,0,0]=3 43 B20R0.2932 CCCCCCCCCCSCCCCCCCCCC Amb6366254 [2,0,0,0,0,0|1,0,0]=3 44 B22R0.54 CCCCCCCCCCCCCCCCCCC(=O)OCC Amb6366462 [1,1,0,0,0,0|1,0,1]=4 45 B22R0.2907 CCCCCCCCCCCCCCCCCCCCC(=O)O Amb8514285 [1,1,0,0,0,0|0,0,1]=3 46 B22R0.37964 CCCCCCCCCCCCCCCCCCCC(=O)OC Amb10070431 [1,1,0,0,0,0|1,0,1]=4 47 B22R0.37964 CCCCCCCCCCCCCCCCCCOC(=O)CC Amb33987891 [1,1,0,0,0,0|1,0,1]=4 48 B22R0.38216 CCCCCCCCCCCCCCCCC(O)CNCCN Amb24080316 [1,1,0,0,0,0|2,0,0]=4 49 B22R0.38515 CCCCCCCCCCCCCCCCCC(=O)NCCO Amb7092023 [1,1,0,0,0,0|1,0,1]=4 50 B24R0.2855 CCCCCCCCCCCCNCCCCCCCCCCCC Amb29844642 [0,2,0,0,0,0|1,0,0]=3 51 B24R0.2855 CCCCCCCCCCCCNCCCCCCCCCCCC Amb9787078 [0,2,0,0,0,0|1,0,0]=3 52 B24R0.2855 CCCCCCCCCCCCSCCCCCCCCCCCC Amb8393148 [0,2,0,0,0,0|1,0,0]=3 53 B24R0.34120 CCCCCCCCCCCCCCCCCCCCCCC(=O)O Amb9786760 [0,2,0,0,0,0|0,0,0]=2 54 B24R0.25590 CCCCCCCCCCCCCCCCCC(=O)OCC(O)CO Amb8386984 [0,2,0,0,0,0|1,0,1]=4 55 B24R0.25114 CCCCCCCCCCCC(CCCCCCCCCCC)=NO Amb22359698 [0,2,0,0,0,0|1,0,1]=4 56 B22R1.3252 CCCCCCCCCCCCCCCCN1CCOCC1 Amb4325604 [1,0,0,1,0,0|2,0,0]=4 57 B24R1.55667 CCCCCCCCCCCCCCCCCCC1CCCCC1 Amb22731716 [0,1,0,1,0,0|1,0,0]=3 58 B24R1.55667 CCCCCCCCCCCCCCCCCCN1CCOCC1 Amb22358916 [0,1,0,1,0,0|2,0,0]=4