0  B9R0.45  C(CCNCCCN)CN 14918 [0,0,0,0,0,0|3,0,0]=3
1  B11R0.176  C(CCC(=O)O)CC(CCS)S 16372 [0,2,0,0,0,0|0,1,1]=4
2  B11R0.148  CCCCCCCCCC(=O)[O-] 20838 [0,2,0,0,0,0|1,1,0]=4