0  B12R0.138  CC(=O)NC(CCC(=O)O)C(=O)O HL3032 [0,0,0,0,0,0|1,0,0]=1
1  B12R0.138  CC(=O)NC(CCC(=O)O)C(N)=O RT5011 [0,0,0,0,0,0|2,0,0]=2
2  B12R0.138  CC(=O)NC(CCC(N)=O)C(=O)O JZ0537 [0,0,0,0,0,0|2,0,0]=2
3  B12R0.138  CC(=O)NC(CSC(C)=O)C(=O)O RT5774 [0,0,0,0,0,0|3,0,0]=3
4  B12R0.138  CC(=O)N[C@@H](CCC(=O)O)C(=O)O JZ0416 [0,0,0,0,0,0|1,0,0]=1
5  B12R0.138  NC(=O)N[C@@H](CCC(=O)O)C(=O)O JZ4441 [0,0,0,0,0,0|0,0,0]=0
6  B12R0.138  O=C(O)CN[C@@H](CC(=O)O)C(=O)O CJ2894 [0,0,0,0,0,0|3,0,0]=3
7  B13R0.253  COC(=O)[C@H](CSC(C)=O)NC(C)=O LT7382 [0,1,0,0,0,0|3,0,0]=4
8  B13R0.256  NCC(=O)N[C@@H](CCC(N)=O)C(=O)O JZ1554 [0,1,0,0,0,0|1,0,0]=2
9  B13R0.432  CNC(=O)SC[C@H](NC(C)=O)C(=O)O RT5637 [0,1,0,0,0,0|3,0,0]=4
10  B11R0.32  NC(=O)NC(CC(=O)O)C(=O)O LQ1496 [0,0,0,0,1,0|0,0,0]=1
11  B11R0.32  O=C(O)\C=C(\CC(=O)O)C(=O)O XJ0836 [0,0,0,0,1,0|2,0,1]=4
12  B12R0.55  O=C\N=N\C(CCC(=O)O)C(=O)O RT5608 [1,1,0,0,0,0|0,0,1]=3
13  B12R0.120  C=CCSC[C@H](NC(C)=O)C(=O)O RT5776 [1,1,0,0,0,0|2,0,0]=4
14  B12R0.694  O=C(O)CC(O)(CC(=O)O)C(=O)O HL1589 [0,1,0,0,1,0|2,0,0]=4
15  B12R0.694  O=C(O)CC(O)(CC(=O)O)C(=O)O JZ0029 [0,1,0,0,1,0|2,0,0]=4
16  B12R0.694  O=C(O)CC(O)(CC(=O)O)C(=O)O LT1977 [0,1,0,0,1,0|2,0,0]=4
17  B12R0.694  O=C(O)CC(O)(CC(=O)O)C(=O)O RT1215 [0,1,0,0,1,0|2,0,0]=4
18  B12R0.694  O=C(O)CC(O)(CC(=O)O)C(=O)O RT1298 [0,1,0,0,1,0|2,0,0]=4
19  B12R0.694  O=C([O-])CC(O)(CC(=O)O)C(=O)O LL0095 [0,1,0,0,1,0|2,0,0]=4
20  B12R0.694  O=C([O-])CC(O)(CC(=O)O)C(=O)O XJ1385 [0,1,0,0,1,0|2,0,0]=4
21  B12R0.694  O=C([O-])CC(O)(CC(=O)O)C(=O)O XJ2701 [0,1,0,0,1,0|2,0,0]=4
22  B14R0.905  CC(=O)N[C@@H](CSC(C)C(N)=O)C(=O)O RT5657 [0,1,0,0,0,1|2,0,0]=4
23  B12R1.850  O=C1CC(C(=O)O)C(C(=O)O)C1 LT1111 [0,0,0,1,1,0|2,0,0]=4