0  B7R0.10  C(C(C(CO)O)O)O S4224 [0,0,0,0,0,0|2,1,0]=3
1  B7R0.10  C(C(C(CS)O)O)S S6829 [0,0,0,0,0,0|2,2,0]=4
2  B7R0.10  C(C(C(CS)O)O)S S6829 [0,0,0,0,0,0|2,2,0]=4
3  B6R0.3  CCC(C(=O)O)N S6203 [1,0,0,0,0,0|2,0,1]=4
4  B6R0.3  CCC(C(=O)O)N S6330 [1,0,0,0,0,0|2,0,1]=4
5  B6R0.3  CCC(C(=O)O)O S6119 [1,0,0,0,0,0|1,1,1]=4
6  B8R0.2  CCC(C)C(C(=O)O)N S3752 [0,1,0,0,0,0|2,0,1]=4
7  B8R1.5  C1CCC(C(C1)[NH-])[NH-] S1224 [0,0,0,1,0,0|3,0,0]=4
8  B8R1.5  C1CCC(C(C1)[NH-])[NH-] S1224 [0,0,0,1,0,0|3,0,0]=4
9  B8R1.5  C1CCC(C(C1)[NH-])[NH-] S1224 [0,0,0,1,0,0|3,0,0]=4
10  B5R0.2  C(CCN)CN S5344 [2,0,0,0,0,0|2,0,0]=4
11  B5R0.2  C(CCN)CN S5825 [2,0,0,0,0,0|2,0,0]=4
12  B5R0.2  C(CCN)CN S5825 [2,0,0,0,0,0|2,0,0]=4
13  B5R0.3  C(C(CO)O)O S2766 [2,0,0,0,0,0|1,1,0]=4
14  B5R0.5  CC(C(C)O)O S6040 [2,0,0,0,0,0|0,1,0]=3
15  B7R0.2  CCC(C)CC(=O)O S6089 [1,1,0,0,0,0|1,0,1]=4
16  B7R0.5  CCCC(C(=O)O)N S6334 [1,1,0,0,0,0|1,0,1]=4
17  B7R1.4  CC1C(=O)CCO1 S6274 [1,0,0,1,0,0|0,1,1]=4