0  B5R0.5  C(=O)(C(=O)[O-])N 19057 [0,0,0,0,0,0|1,0,3]=4
1  B4R0.1  CC(=O)CN 17573 [1,0,0,0,0,0|2,0,0]=3
2  B4R0.1  CSC(=N)N 81300 [1,0,0,0,0,0|3,0,0]=4
3  B6R0.3  C(C(=O)C(=O)O)O 21856 [0,1,0,0,0,0|0,0,2]=3
4  B6R0.3  C\C(=N/O)\C(=O)C 20828 [0,1,0,0,0,0|1,0,1]=3
5  B6R0.2  CC(CC(=O)O)O 14148 [0,0,0,0,0,1|0,0,0]=1
6  B6R0.2  C[C@@H](CC(=O)[O-])O 21822 [0,0,0,0,0,1|0,0,1]=2
7  B6R0.2  N=C(\N)/SC(C)C 81290 [0,0,0,0,0,1|3,0,0]=4
8  B5R0.1  CCCC(=O)[O-] 13121 [1,1,0,0,0,0|0,0,1]=3
9  B5R0.1  N=C(\N)/SCC 81275 [1,1,0,0,0,0|2,0,0]=4
10  B5R0.3  C(C(CS)O)O 20824 [1,1,0,0,0,0|0,0,1]=3
11  B5R0.3  C([C@H](C=O)O)O 16493 [1,1,0,0,0,0|0,0,0]=2
12  B7R0.16  CC(C(=O)O)C(=O)O 14885 [0,1,0,0,0,1|1,0,1]=4
13  B7R0.16  CC(C)[C@@H](C(=O)O)O 10007090 [0,1,0,0,0,1|1,0,0]=3
14  B7R0.5  C#CCC(C(=O)O)N 10010948 [0,2,0,0,0,0|1,0,0]=3
15  B7R0.5  C(C#N)[C@@H](C(=O)O)N 10010947 [0,2,0,0,0,0|1,0,0]=3
16  B7R0.10  C([C@@H]([C@@H](C=O)O)O)O 20381 [0,2,0,0,0,0|0,0,1]=3
17  B7R1.19  C1CC1(C(=O)O)N 16132 [0,1,0,1,0,0|1,0,0]=3