0  B17R0.43  CCCCCCCCCCCCC/C=C/C(=O)O CDS000103 [0,0,0,0,0,0|0,0,4]=4
1  B17R0.43  CCCCCCCCCCCCCCCC(=O)C S762911 [0,0,0,0,0,0|1,0,2]=3
2  B17R0.43  CCCCCCCCCCCCCCCC(=O)O S833266 [0,0,0,0,0,0|0,0,2]=2
3  B17R0.43  CCCCCCCCCCCCCCNC(=O)N S811866 [0,0,0,0,0,0|2,0,2]=4
4  B17R0.43  CCCCCCCCCCCCSCCC(=O)N S28291 [0,0,0,0,0,0|2,0,2]=4
5  B17R0.43  CCCCCCCCCCCCSCCC(=O)N S43193 [0,0,0,0,0,0|2,0,2]=4
6  B17R0.43  CCCCCCCCCCCCSCCC(=O)O S537306 [0,0,0,0,0,0|1,0,2]=3
7  B17R0.43  CCCCCCCCSCCCCCCC(=O)O R395536 [0,0,0,0,0,0|1,0,2]=3
8  B17R0.43  CCCCSCCCCCCCCCCC(=O)O S537659 [0,0,0,0,0,0|1,0,2]=3
9  B16R0.274  CCCCCCCCCCCCCCB(O)O S831565 [1,0,0,0,0,0|1,0,2]=4
10  B16R0.274  CCCCCCCCCCCCCCC(=N)N PH012197 [1,0,0,0,0,0|2,0,1]=4
11  B16R0.274  CCCCCCCCCCCCOCC(=O)O S233773 [1,0,0,0,0,0|1,0,1]=3
12  B16R0.274  CCCCCCCCCCCCSCC(=O)O S233471 [1,0,0,0,0,0|1,0,1]=3
13  B18R0.171  CCCCCCCCCCCCCCCC(=O)CC S540188 [0,1,0,0,0,0|1,0,2]=4
14  B18R0.171  CCCCCCCCCCCCCCCC(=O)NN S628476 [0,1,0,0,0,0|1,0,2]=4
15  B18R0.171  CCCCCCCCCCCCNCCC(=O)OC PH005282 [0,1,0,0,0,0|1,0,2]=4
16  B18R0.174  CCCCCCCCCCCCCCC(C)C(=O)O PH010298 [0,1,0,0,0,0|0,0,2]=3
17  B18R0.176  CCCCCCCCCCCCCCCCC(=O)[O-] R580686 [0,1,0,0,0,0|0,0,3]=4
18  B18R0.176  CCCCCCCCCCCCSCCCC(=O)O S233501 [0,1,0,0,0,0|0,0,2]=3
19  B18R0.176  CCCCCCCCCCCCSCCCC(=O)O S605379 [0,1,0,0,0,0|0,0,2]=3
20  B18R1.13791  O=C1CCCCCCCCCCOCCCCO1 CDS009933 [0,0,0,1,0,0|1,0,2]=4
21  B15R0.164  CCCC/C=C\CCCCCCOC(=O)C R751197 [2,0,0,0,0,0|2,0,0]=4
22  B15R0.164  CCCCCCCCCCCCOC(=O)N PH007036 [2,0,0,0,0,0|2,0,0]=4
23  B15R0.164  CCCCCCCCCCSCCC(=O)O R397288 [2,0,0,0,0,0|1,0,0]=3
24  B17R0.14363  CCC(=O)CCCCCCCCCCCC(=O)O S875120 [1,1,0,0,0,0|0,0,2]=4
25  B19R0.25812  CCCCCCCCCCCCCCC(C)(C)C(=O)O PH001487 [0,2,0,0,0,0|0,0,2]=4
26  B19R0.149  CCCCC/C=C/C/C=C/CCCCCCCC(=O)O S573027 [0,2,0,0,0,0|0,0,0]=2
27  B19R0.149  CCCCC/C=C/C/C=C\CCCCCCCC(=O)[O-] R580910 [0,2,0,0,0,0|0,0,1]=3
28  B19R0.149  CCCCCCCC/C=C\CCCCCCCC(=O)O CDS003411 [0,2,0,0,0,0|0,0,0]=2
29  B19R0.149  CCCCCCCCCCCCCCCCCC(=O)O CDS003412 [0,2,0,0,0,0|0,0,2]=4
30  B19R0.149  CCCCCCCCCCCCCCCCCC(=O)O S825972 [0,2,0,0,0,0|0,0,2]=4
31  B19R0.149  CCCCCCCCCCCCCCCCCC(=O)O S825980 [0,2,0,0,0,0|0,0,2]=4