0  B12R0.694  C(C(=O)O)C(CC(=O)O)(C(=O)O)N A33 [0,0,0,0,0,0|1,0,0]=1
1  B12R0.694  C(C(=O)O)C(CC(=O)O)(C(=O)O)O CIT [0,0,0,0,0,0|0,0,0]=0
2  B12R0.694  C(C(=O)O)[C@@](C[N+](=O)[O-])(C(=O)O)O NTC [0,0,0,0,0,0|1,0,1]=2
3  B12R0.694  C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O FLC [0,0,0,0,0,0|0,0,3]=3
4  B11R0.32  C(C(CC(=O)O)C(=O)O)C(=O)O TRC [1,0,0,0,0,0|0,0,0]=1
5  B11R0.32  C([C@@H](C(=O)O)NC(=O)N)C(=O)O NCD [1,0,0,0,0,0|2,0,0]=3
6  B11R0.427  CC(C)[C@@](CC(=O)O)(C(=O)O)O VPM [0,0,0,0,1,0|2,0,1]=4
7  B13R0.617  C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O HCA [0,0,0,0,0,1|0,0,0]=1
8  B10R0.23  N=C\N[C@@H](CC(=O)O)C(=O)O NFQ [2,0,0,0,0,0|2,0,0]=4
9  B10R0.70  C([C@@H](C=O)NC(=O)O)C(=O)N 5VV [2,0,0,0,0,0|2,0,0]=4
10  B10R0.165  CC(CC(=O)O)(CC(=O)O)O MAH [2,0,0,0,0,0|0,0,1]=3
11  B12R0.43  C([C@@H](C(=O)C(=O)O)C(=O)O)C(=O)O OXS [1,1,0,0,0,0|0,0,1]=3
12  B12R0.43  C([C@@H]([C@@H](C(=O)O)O)C(=O)O)C(=O)O N81 [1,1,0,0,0,0|0,0,0]=2
13  B12R0.43  C([C@@H]([C@H](C(=O)O)O)C(=O)O)C(=O)O ICI [1,1,0,0,0,0|0,0,0]=2
14  B12R0.43  C([C@@H]([C@H](C(=O)O)O)C(=O)O)C(=O)O ICT [1,1,0,0,0,0|0,0,0]=2
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16  B12R0.151  COC(=O)C\C(=C/C(=O)O)\C(=O)O T8N [1,1,0,0,0,0|0,0,2]=4
17  B12R0.393  C[P@](=O)(N[C@@H](CC(=O)O)C(=O)O)O AS9 [1,1,0,0,0,0|2,0,0]=4
18  B12R0.41  C(C(=O)N)N(CC(=O)O)CC(=O)O MHA [1,0,0,0,0,1|2,0,0]=4
19  B12R0.41  C(C(=O)O)N(CC(=O)O)CC(=O)O NTA [1,0,0,0,0,1|1,0,0]=3
20  B12R0.138  C(CC(=O)O)[C@H](CC(=O)O)C(=O)O HCT [1,0,0,0,0,1|0,0,0]=2
21  B12R0.138  CC(=O)N[C@@H](CCC(=O)O)C(=O)O NLG [1,0,0,0,0,1|2,0,0]=4