0  B8R0.23  CC(C)CC(=O)C(=O)[O-] 23680490 [0,1,0,0,0,0|2,0,0]=3
1  B8R0.23  CC(C)CC(=O)C(=O)[O-] 4137900 [0,1,0,0,0,0|2,0,0]=3
2  B7R0.7  CCOC(=O)CC[NH3+] 10855676 [1,1,0,0,0,0|0,0,1]=3