0  B11R0.42  CCCCCCC[C@H](F)[N+](=O)[O-] SPC-d114 [0,1,0,0,0,0|3,0,0]=4
1  B12R1.2197  N[C@@H](C(=O)O)C1CCCCCC1 SPC-s658 [0,1,0,1,0,0|2,0,0]=4
2  B12R1.2197  N[C@H](C(=O)O)C1CCCCCC1 SPC-n709 [0,1,0,1,0,0|2,0,0]=4