0  B6R0.3  N[C@H](C(=O)N)CC AP00372 [0,0,0,0,0,0|2,0,0]=2
1  B6R0.3  N[C@H](CO)C(=O)O AP10045 [0,0,0,0,0,0|0,0,0]=0
2  B5R0.1  N[C@@H](CCO)C AP00425 [1,0,0,0,0,0|2,0,1]=4
3  B5R0.5  CC(C(=O)N)N AP10196 [1,0,0,0,0,0|1,0,0]=2
4  B7R1.18  C1(CCC1)C(=O)O AP00003 [0,0,0,1,0,0|2,0,0]=3
5  B4R0.2  BrCCC=C AP10272 [2,0,0,0,0,0|2,0,0]=4
6  B4R0.2  C(C=O)C#N AP00457 [2,0,0,0,0,0|1,0,1]=4
7  B8R0.23  N[C@@H](CC(=O)O)C(=O)O AP10046 [0,1,0,0,0,1|0,0,1]=3
8  B8R0.3  O=CC[C@H](O)[C@H](O)CO AP00571 [0,2,0,0,0,0|1,0,1]=4
9  B6R1.2  C1COCC1O AP10146 [1,0,0,1,0,0|1,0,1]=4
10  B8R1.7  N1[C@@H](CCC1)C(=O)N AP10253 [0,1,0,1,0,0|2,0,0]=4
11  B8R1.78  NC1(CCC1)C(=O)O AP10325 [0,1,0,1,0,0|1,0,0]=3