0  B5R0.3  CCC(C=C)O 776 [0,0,0,0,0,0|2,1,1]=4
1  B3R0.2  CC(C)O 275 [2,0,0,0,0,0|0,1,0]=3
2  B3R0.2  CS(=O)C 188 [2,0,0,0,0,0|1,1,0]=4
3  B5R0.1  CC(CCO)O 719 [1,1,0,0,0,0|0,1,0]=3