0  B5R0.1  NCCC(N)=O 4088784 [2,0,0,0,0,0|2,0,0]=4
1  B7R1.4  N[C@H]1COC[C@@H]1O 4089150 [1,0,0,1,0,0|0,0,1]=3
2  B7R1.4  N[C@H]1COC[C@H]1O 4088570 [1,0,0,1,0,0|0,0,1]=3