0  B10R0.4  C(CCCC(=O)O)CCCN S6082 [0,0,0,0,0,0|1,0,0]=1
1  B10R0.4  C(COCCOCC(=O)O)O S1728 [0,0,0,0,0,0|3,0,0]=3
2  B10R0.4  CCCCCCCCC(=O)O S4949 [0,0,0,0,0,0|0,0,0]=0
3  B9R0.2  CC(=O)NCCCCCN S6187 [1,0,0,0,0,0|3,0,0]=4
4  B9R0.2  CCCCCC=CC(=O)O S6162 [1,0,0,0,0,0|0,0,2]=3
5  B9R0.2  CCCCCCCC(=O)O S6296 [1,0,0,0,0,0|0,0,0]=1
6  B11R0.30  C(CCCC(=O)O)CCC(=O)O S6220 [0,1,0,0,0,0|1,0,1]=3
7  B11R0.30  CC(=O)NCCCCCC(=O)O S4534 [0,1,0,0,0,0|1,0,1]=3
8  B11R0.30  CC(=O)NCCCCCC(=O)O S4534 [0,1,0,0,0,0|1,0,1]=3
9  B11R0.148  C#CCOCCOCCC(=O)O S0685 [0,1,0,0,0,0|1,0,2]=4
10  B11R0.148  C(COCCOCCN)C(=O)O S0669 [0,1,0,0,0,0|2,0,0]=3
11  B11R0.148  CCCCCCCCCC(=O)C S3762 [0,1,0,0,0,0|1,0,0]=2
12  B11R0.148  CCCCCCCCCC(C)O S9453 [0,1,0,0,0,0|1,0,1]=3
13  B8R0.7  C(CCC(=O)O)CCN S1671 [2,0,0,0,0,0|1,0,0]=3
14  B8R0.7  C(CCC(=O)O)CCN S1671 [2,0,0,0,0,0|1,0,0]=3
15  B8R0.7  C(CCC(=O)O)CCN S1671 [2,0,0,0,0,0|1,0,0]=3
16  B8R0.7  C(COCCN)C(=O)O S1872 [2,0,0,0,0,0|2,0,0]=4
17  B10R0.75  C(CO)CSCC(C(=O)O)N S2129 [1,1,0,0,0,0|2,0,0]=4
18  B10R0.75  CCCCCCC(C(=O)O)O S5436 [1,1,0,0,0,0|0,0,0]=2
19  B10R0.78  CCCCC(C)CCC(=O)O S6029 [1,1,0,0,0,0|0,0,0]=2
20  B10R0.71  CCCCCCCCCC=O S5376 [1,1,0,0,0,0|0,0,0]=2
21  B12R0.42  CC(=O)NCCCCC(C(=O)O)N S6075 [0,2,0,0,0,0|1,0,1]=4
22  B12R0.277  CCOC(=O)CCCCCC(=O)O S1796 [0,2,0,0,0,0|0,0,1]=3
23  B12R0.234  C(CCCC=CC(=O)O)CCCO S3827 [0,2,0,0,0,0|0,0,1]=3
24  B12R0.234  C(CCCC=CC(=O)O)CCCO S3827 [0,2,0,0,0,0|0,0,1]=3
25  B12R0.234  C(CCCCC(=O)O)CCCCO S5370 [0,2,0,0,0,0|0,0,0]=2
26  B12R0.234  C=CCCCCCCCCC(=O)O S9452 [0,2,0,0,0,0|0,0,0]=2
27  B12R0.234  C=CCCCCCCCCC(=O)[O-] S3979 [0,2,0,0,0,0|0,0,1]=3
28  B12R0.234  CCCCCCCCCCC(=O)O S9454 [0,2,0,0,0,0|0,0,0]=2
29  B12R0.268  C(CCCC(=O)O)CCCC(=O)O S4550 [0,2,0,0,0,0|0,0,1]=3
30  B12R0.268  C(CCCC(=O)O)CCCC(=O)O S4550 [0,2,0,0,0,0|0,0,1]=3
31  B10R1.18  C1CCC(CC1)CC(=O)O S6022 [1,0,0,1,0,0|0,0,0]=2
32  B12R1.7  CCCCCCC1CCC(=O)O1 S5375 [0,1,0,1,0,0|0,0,0]=2
33  B12R1.255  C1CSSC1CCCCC(=O)N S6178 [0,1,0,1,0,0|2,0,0]=4
34  B12R1.255  C1CSSC1CCCCC(=O)O S3996 [0,1,0,1,0,0|1,0,0]=3
35  B12R1.255  C1CSSC1CCCCC(=O)O S3998 [0,1,0,1,0,0|1,0,0]=3