0  B6R0.8  CSC(C)(C)C=O 1908 [1,0,0,0,0,0|1,1,1]=4
1  B7R1.3  C[C@@H]1CNCCO1 906 [1,0,0,1,0,0|0,0,2]=4
2  B7R1.3  C[C@H]1CNCCO1 907 [1,0,0,1,0,0|0,0,2]=4