0  B6R0.4  C(CC(=O)[O-])CO 9002506 [0,1,0,0,0,0|3,0,0]=4
1  B6R0.4  CC(C)CCCO 18446 [0,1,0,0,0,0|2,0,0]=3
2  B6R0.4  N=C(\N)/SCCN 81005 [0,1,0,0,0,0|3,0,0]=4
3  B6R1.2  C1CC(=O)OC1 18706 [0,0,0,1,0,0|3,0,0]=4
4  B6R1.2  C1COC[C@@H]1N 11391 [0,0,0,1,0,0|0,1,0]=2
5  B6R1.2  C1COC[C@H]1N 11390 [0,0,0,1,0,0|0,1,0]=2
6  B5R0.1  CCCC(=O)[O-] 13121 [1,1,0,0,0,0|1,0,1]=4
7  B5R0.1  N=C(\N)/SCC 81275 [1,1,0,0,0,0|1,0,1]=4
8  B5R0.3  C(C(CS)O)O 20824 [1,1,0,0,0,0|1,0,0]=3
9  B7R0.2  CCC(C)CC(C)N 10749 [0,2,0,0,0,0|1,0,0]=3
10  B7R0.4  CC(=O)NCCCN 9002787 [0,2,0,0,0,0|1,0,0]=3
11  B7R0.8  C(CN)CS(=O)(=O)O 20701 [0,2,0,0,0,0|1,0,1]=4
12  B7R0.8  CS(=O)(=O)SCCN 9002267 [0,2,0,0,0,0|1,0,1]=4
13  B7R0.1  C(CSSCCN)N 14882 [0,2,0,0,0,0|1,0,0]=3
14  B7R1.1  C1C[C@@H](OC1)CN 11389 [0,1,0,1,0,0|1,0,0]=3
15  B7R1.1  C1C[C@H](OC1)CN 11388 [0,1,0,1,0,0|1,0,0]=3
16  B7R1.2  C1C[C@H](C[C@H]1N)O 11357 [0,1,0,1,0,0|1,0,0]=3