0  B5R0.1  C(CN)C(=O)O 0206 [1,0,0,0,0,0|2,0,0]=3
1  B5R0.1  C(CS(=O)O)N 0208 [1,0,0,0,0,0|3,0,0]=4
2  B5R0.1  CCCC(=O)[O-] 3850 [1,0,0,0,0,0|1,0,1]=3
3  B5R0.1  CNCC(=O)O 2975 [1,0,0,0,0,0|1,0,0]=2
4  B7R1.3  C1CCNC(=N)C1 0951 [0,0,0,1,0,0|3,0,0]=4
5  B4R0.1  C(C(=O)O)N 0219 [2,0,0,0,0,0|1,0,0]=3
6  B4R0.1  CSC(=[NH2+])N 0776 [2,0,0,0,0,0|2,0,0]=4
7  B6R0.3  C([C@@H](C(=O)O)N)O 0227 [1,1,0,0,0,0|2,0,0]=4
8  B6R0.3  C([C@H](C(=O)O)N)O 0226 [1,1,0,0,0,0|2,0,0]=4
9  B6R0.4  C(CC(=O)O)CN 0344 [1,1,0,0,0,0|1,0,0]=3
10  B6R0.4  C(\C=C\C(=O)O)N 0181 [1,1,0,0,0,0|1,0,1]=4
11  B6R0.4  C(\C=C\C(=O)O)O 0538 [1,1,0,0,0,0|1,0,1]=4