0  B10R0.71  CCCCCCCCCC=O S5376 [0,0,0,0,0,0|0,0,0]=0
1  B9R0.45  C(CCNCCCN)CN S3653 [1,0,0,0,0,0|3,0,0]=4
2  B11R0.3  C=CCCCCCCCCCO S6225 [0,1,0,0,0,0|1,0,0]=2
3  B11R0.3  CCCCCCCCCCCO S9450 [0,1,0,0,0,0|0,0,2]=3
4  B11R0.148  C(COCCOCCN)C(=O)O S0669 [0,1,0,0,0,0|3,0,0]=4
5  B11R0.148  CCCCCCCCCC(=O)C S3762 [0,1,0,0,0,0|0,0,0]=1
6  B11R0.148  CCCCCCCCCC(C)O S9453 [0,1,0,0,0,0|0,0,2]=3
7  B10R0.4  C(CCCC(=O)O)CCCN S6082 [1,1,0,0,0,0|1,0,0]=3
8  B10R0.4  CCCCCCCCC(=O)O S4949 [1,1,0,0,0,0|0,0,0]=2
9  B12R0.234  C(CCCC=CC(=O)O)CCCO S3827 [0,2,0,0,0,0|0,0,2]=4
10  B12R0.234  C(CCCC=CC(=O)O)CCCO S3827 [0,2,0,0,0,0|0,0,2]=4
11  B12R0.234  C(CCCCC(=O)O)CCCCO S5370 [0,2,0,0,0,0|0,0,0]=2
12  B12R0.234  C=CCCCCCCCCC(=O)O S9452 [0,2,0,0,0,0|0,0,1]=3
13  B12R0.234  C=CCCCCCCCCC(=O)[O-] S3979 [0,2,0,0,0,0|0,0,1]=3
14  B12R0.234  CCCCCCCCCCC(=O)O S9454 [0,2,0,0,0,0|0,0,0]=2
15  B12R0.277  CCOC(=O)CCCCCC(=O)O S1796 [0,2,0,0,0,0|1,0,1]=4
16  B12R0.268  C(CCCC(=O)O)CCCC(=O)O S4550 [0,2,0,0,0,0|1,0,1]=4
17  B12R0.268  C(CCCC(=O)O)CCCC(=O)O S4550 [0,2,0,0,0,0|1,0,1]=4
18  B12R1.7  CCCCCCC1CCC(=O)O1 S5375 [0,1,0,1,0,0|0,0,0]=2
19  B12R1.567  CCCCCC1=C(CCC1=O)C S5342 [0,1,0,1,0,0|0,0,2]=4
20  B12R1.255  C1CSSC1CCCCC(=O)N S6178 [0,1,0,1,0,0|2,0,0]=4
21  B12R1.255  C1CSSC1CCCCC(=O)O S3996 [0,1,0,1,0,0|2,0,0]=4
22  B12R1.255  C1CSSC1CCCCC(=O)O S3998 [0,1,0,1,0,0|2,0,0]=4