0  B6R0.6  C=CCCCC#N BB12-2224 [1,0,0,0,0,0|2,0,1]=4
1  B8R0.4  C=CCCNCCC=C BB58-4950 [0,1,0,0,0,0|2,0,0]=3
2  B7R0.4  C=CCSCC(=O)O BB12-3265 [1,1,0,0,0,0|1,0,0]=3