0  B8R0.23  CC(=O)NC(C)C(=O)O BBL007614 [1,0,0,0,0,0|0,0,0]=1
1  B8R0.23  CC(NC(N)=O)C(=O)O BBL027929 [1,0,0,0,0,0|1,0,0]=2
2  B8R0.23  C\C(=C/C(=O)O)C(=O)O BBL023435 [1,0,0,0,0,0|2,0,1]=4
3  B8R0.23  NC(CC(=O)O)C(=O)O BBL002458 [1,0,0,0,0,0|3,0,0]=4
4  B8R0.23  O=C(O)CC(S)C(=O)O BBL011516 [1,0,0,0,0,0|2,0,0]=3
5  B10R0.23  CCCC(CC(C)=O)C(=O)O BBL028989 [0,1,0,0,0,0|2,0,0]=3
6  B10R0.162  [C@H](NC(C)=O)(C(=O)O)C(C)C BBL033860 [0,1,0,0,0,0|1,0,0]=2
7  B8R0.18  CCC(C(=O)O)C(=O)O BBL019763 [0,0,0,0,1,0|2,0,0]=3
8  B7R0.15  CCC(CC)C(=O)O BBL018400 [2,0,0,0,0,0|1,0,1]=4
9  B7R0.15  CCC(NC)C(=O)O BBL022845 [2,0,0,0,0,0|1,0,0]=3
10  B7R0.6  CC(=O)CCC(=O)O BBL027404 [2,0,0,0,0,0|1,0,0]=3
11  B7R0.6  CC(=O)CCC(C)=O BBL027731 [2,0,0,0,0,0|2,0,0]=4
12  B7R0.6  CC(=O)NCC(=O)O BBL020087 [2,0,0,0,0,0|0,0,0]=2
13  B7R0.6  O=C(O)CCC(=O)O BBL002473 [2,0,0,0,0,0|2,0,0]=4
14  B11R0.115  [C@@H](C)(CC)[C@@H](NC(C)=O)C(=O)O BBL027154 [0,2,0,0,0,0|1,0,0]=3
15  B9R1.35  O=C1CCC(C(=O)O)N1 BBL011576 [1,0,0,1,0,0|1,0,0]=3
16  B11R1.178  NC(=O)N1CCCC1C(=O)O BBL030180 [0,1,0,1,0,0|2,0,0]=4
17  B11R1.167  CC(C)C1NC(=O)CNC1=O BBL036346 [0,1,0,1,0,0|2,0,0]=4
18  B7R0.16  CC(=O)C(Cl)C(C)=O BBL011522 [1,0,0,0,1,0|2,0,0]=4
19  B7R0.16  CC(C(=O)O)C(=O)O BBL027393 [1,0,0,0,1,0|1,0,0]=3