0  B3R0.1  C(C[O-])[O-] 2446 [1,0,0,0,0,0|2,0,0]=3
1  B5R0.1  CCCC(=O)[O-] 3850 [0,1,0,0,0,0|2,0,1]=4
2  B5R0.1  CCSC(=N)N 0873 [0,1,0,0,0,0|1,0,1]=3
3  B5R0.3  C(C(CO)O)O 5220 [0,1,0,0,0,0|3,0,0]=4
4  B4R0.1  CSC(=[NH2+])N 0776 [1,1,0,0,0,0|1,0,1]=4
5  B6R0.2  CC(C)SC(=N)N 0897 [0,2,0,0,0,0|1,0,1]=4