0  B10R0.31  CC(CC(=O)O)CC(C)(C)C S415006 [0,0,0,0,0,0|2,0,1]=3
1  B10R0.31  C[N+](C)(C)C[C@@H](O)CC(=O)[O-] CDS013585 [0,0,0,0,0,0|0,0,0]=0
2  B9R0.44  C[N+](C)(C)CC(O)CC#N S343781 [1,0,0,0,0,0|1,0,1]=3
3  B9R0.53  CC(C)C[C@@H](N)CC(=O)O CDS008875 [1,0,0,0,0,0|2,0,1]=4
4  B9R0.56  CC(C)(C)SCCC(=O)O PH010949 [1,0,0,0,0,0|2,0,1]=4
5  B9R0.10  CC(C)(C)[C@@H](N)CC(=O)O CDS005404 [0,0,0,0,1,0|2,0,1]=4
6  B8R0.28  CC(=O)CCCC(C)C CDS000306 [2,0,0,0,0,0|2,0,0]=4
7  B8R0.28  CC(=O)CCCN(C)C PH014778 [2,0,0,0,0,0|1,0,1]=4
8  B8R0.28  CC(C)CCCC(=O)O CDS003381 [2,0,0,0,0,0|1,0,1]=4
9  B10R0.60  C=CC(=O)NCC[N+](C)(C)C T300799 [1,1,0,0,0,0|2,0,0]=4
10  B10R0.60  CCC(=O)OCC[N+](C)(C)C S442631 [1,1,0,0,0,0|2,0,0]=4
11  B10R0.60  COC(=O)CCN[N+](C)(C)C S196320 [1,1,0,0,0,0|1,0,1]=4
12  B10R1.302  C[N+]1(CCNC(=O)CC1)C T281166 [1,0,0,1,0,0|2,0,0]=4
13  B12R1.126  CC(C)(C)[C@H]1CCC(=O)C[C@H]1O T263591 [0,1,0,1,0,0|2,0,0]=4
14  B12R1.361  COC(=O)C1CC(CC1O)(C)C T215074 [0,1,0,1,0,0|1,0,1]=4
15  B12R2.5482  CC1(CCC(=O)C2OC2C1)C T202681 [0,0,0,2,0,0|2,0,0]=4
16  B8R0.14  C=CCC(O)C(C)(C)C PH009857 [1,0,0,0,1,0|2,0,0]=4
17  B8R0.23  CC(C)C[C@@H](O)C(=O)O CDS006369 [1,0,0,0,1,0|1,0,1]=4
18  B8R0.29  CC(=O)CC[N+](C)(C)C S915017 [1,0,0,0,1,0|1,0,0]=3
19  B8R0.29  CC(C)(C)CCC(=O)O CDS009242 [1,0,0,0,1,0|1,0,1]=4