0  B5R0.1  CC(C)\C=N\O T4930 [1,0,0,0,0,0|1,0,2]=4
1  B5R0.1  C[C@@H](O)CCO T19538 [1,0,0,0,0,0|0,1,2]=4
2  B5R0.3  CCC(C)C=O T5090 [1,0,0,0,0,0|1,0,0]=2
3  B5R0.3  O=CC(O)CO T4918 [1,0,0,0,0,0|3,0,0]=4
4  B7R0.2  COC(=O)CC(C)=O T4851 [0,1,0,0,0,0|1,1,1]=4
5  B7R0.2  NCC(O)CC(=O)O T0028 [0,1,0,0,0,0|3,0,0]=4
6  B7R0.2  NC[C@@H](O)CC(=O)O T21409 [0,1,0,0,0,0|3,0,0]=4
7  B4R0.1  CC(=O)C=O T19536 [2,0,0,0,0,0|0,1,1]=4
8  B4R0.1  CC(O)CO T5619 [2,0,0,0,0,0|0,1,1]=4
9  B6R0.2  CC(=O)CC(=O)[O-] T4854 [1,1,0,0,0,0|0,1,1]=4
10  B6R0.2  CC(C)=CC(=O)O T5305 [1,1,0,0,0,0|0,0,2]=4
11  B6R0.2  CC(C)CC(=O)O T5609 [1,1,0,0,0,0|0,0,0]=2
12  B6R0.2  CC(C)CC(N)=O T0361 [1,1,0,0,0,0|0,0,0]=2
13  B6R0.2  CC(C)SC(=N)N T23300 [1,1,0,0,0,0|2,0,0]=4
14  B6R0.2  CC(O)CC(=O)O T4947 [1,1,0,0,0,0|0,1,0]=3
15  B6R0.2  CN(C)CC(=O)O T4120 [1,1,0,0,0,0|1,0,0]=3
16  B6R0.2  C[C@@H](O)CC(=O)O T5248 [1,1,0,0,0,0|0,1,0]=3
17  B6R0.2  C[C@H](O)CC(=O)O T13979 [1,1,0,0,0,0|0,1,0]=3
18  B8R0.2  CCC(C)C(=O)C(=O)O T8264 [0,2,0,0,0,0|1,0,1]=4
19  B8R0.2  CC[C@@H](C)[C@H](N)C(=O)O T5219 [0,2,0,0,0,0|1,0,0]=3
20  B8R0.2  CC[C@H](C)[C@H](N)C(=O)O T0063 [0,2,0,0,0,0|1,0,0]=3
21  B8R0.23  CC(C)C(N)CC(=O)O T5569 [0,2,0,0,0,0|2,0,0]=4
22  B8R0.23  CC(CC(=O)O)C(=O)O T5231 [0,2,0,0,0,0|2,0,0]=4
23  B8R0.3  O=CC[C@H](O)[C@H](O)CO T4818 [0,2,0,0,0,0|2,0,0]=4