0  B5R0.2  C=CCN=C=S D02818 [1,0,0,0,0,0|0,0,2]=3
1  B7R0.4  CC(C)CCON=O D00517 [0,1,0,0,0,0|2,1,0]=4
2  B7R0.4  CCCCCC(C)N D07371 [0,1,0,0,0,0|2,0,1]=4
3  B4R0.2  CCCCO D03200 [2,0,0,0,0,0|0,1,0]=3
4  B4R0.2  CCOCC D01772 [2,0,0,0,0,0|1,0,1]=4
5  B4R0.2  COCCO D05554 [2,0,0,0,0,0|1,1,0]=4