0  B18R0.233  CCCCCCCCCCCC(=O)NCCN(C)C S421839 [0,0,0,0,0,0|4,0,0]=4
1  B17R0.43  CCCCCCCCCCCCC/C=C/C(=O)O CDS000103 [1,0,0,0,0,0|0,0,3]=4
2  B17R0.43  CCCCCCCCCCCCCCCC(=O)C S762911 [1,0,0,0,0,0|1,0,1]=3
3  B17R0.43  CCCCCCCCCCCCCCCC(=O)O S833266 [1,0,0,0,0,0|0,0,1]=2
4  B17R0.43  CCCCCCCCCCCCCCNC(=O)N S811866 [1,0,0,0,0,0|2,0,1]=4
5  B17R0.43  CCCCCCCCCCCCSCCC(=O)N S28291 [1,0,0,0,0,0|2,0,1]=4
6  B17R0.43  CCCCCCCCCCCCSCCC(=O)N S43193 [1,0,0,0,0,0|2,0,1]=4
7  B17R0.43  CCCCCCCCCCCCSCCC(=O)O S537306 [1,0,0,0,0,0|1,0,1]=3
8  B17R0.43  CCCCCCCCSCCCCCCC(=O)O R395536 [1,0,0,0,0,0|1,0,1]=3
9  B17R0.43  CCCCSCCCCCCCCCCC(=O)O S537659 [1,0,0,0,0,0|1,0,1]=3
10  B17R0.3110  CCCCCCCCCCCC(=O)CCCCC S544108 [1,0,0,0,0,0|1,0,1]=3
11  B17R0.192  CCCCCCCCCCCC(=O)OCC(C)O S449210 [0,0,0,0,1,0|2,0,1]=4
12  B17R0.192  CCCCCCCCCCNC(=O)/C=C/C(=O)O S703516 [0,0,0,0,1,0|1,0,2]=4
13  B17R0.192  CCCCCCCCCCOC(=O)/C=C/C(=O)O PH005952 [0,0,0,0,1,0|1,0,2]=4
14  B19R0.9205  CCCCCCCCCCCC(=O)OCCCN(C)C S233676 [0,0,0,0,0,1|3,0,0]=4
15  B16R0.274  CCCCCCCCCCCCCCB(O)O S831565 [2,0,0,0,0,0|1,0,1]=4
16  B16R0.274  CCCCCCCCCCCCCCC(=N)N PH012197 [2,0,0,0,0,0|2,0,0]=4
17  B16R0.274  CCCCCCCCCCCCOCC(=O)O S233773 [2,0,0,0,0,0|1,0,0]=3
18  B16R0.274  CCCCCCCCCCCCSCC(=O)O S233471 [2,0,0,0,0,0|1,0,0]=3
19  B16R0.661  CCCCCCCCCCCC(=O)OCCN PH008548 [2,0,0,0,0,0|2,0,0]=4
20  B18R0.171  CCCCCCCCCCCCCCCC(=O)CC S540188 [1,1,0,0,0,0|1,0,1]=4
21  B18R0.171  CCCCCCCCCCCCCCCC(=O)NN S628476 [1,1,0,0,0,0|1,0,1]=4
22  B18R0.171  CCCCCCCCCCCCNCCC(=O)OC PH005282 [1,1,0,0,0,0|1,0,1]=4
23  B18R0.174  CCCCCCCCCCCCCCC(C)C(=O)O PH010298 [1,1,0,0,0,0|0,0,1]=3
24  B18R0.176  CCCCCCCCCCCCCCCCC(=O)[O-] R580686 [1,1,0,0,0,0|0,0,2]=4
25  B18R0.176  CCCCCCCCCCCCSCCCC(=O)O S233501 [1,1,0,0,0,0|0,0,1]=3
26  B18R0.176  CCCCCCCCCCCCSCCCC(=O)O S605379 [1,1,0,0,0,0|0,0,1]=3
27  B18R1.13791  O=C1CCCCCCCCCCOCCCCO1 CDS009933 [1,0,0,1,0,0|1,0,1]=4
28  B16R0.302  CCCCCCCCCCCC(=O)NC(=O)N S821063 [0,0,0,0,2,0|2,0,0]=4