0  B13R0.54  CCCCCCCCCCCC(=O)O D10714 [0,0,0,0,0,0|0,0,0]=0
1  B12R0.234  C=CCCCCCCCCC(=O)O D02159 [1,0,0,0,0,0|0,0,2]=3
2  B12R0.234  C=CCCCCCCCCC(=O)[O-] D01124 [1,0,0,0,0,0|0,0,3]=4
3  B12R0.234  C=CCCCCCCCCC(=O)[O-] D03315 [1,0,0,0,0,0|0,0,3]=4
4  B12R0.234  C=CCCCCCCCCC(=O)[O-] D08894 [1,0,0,0,0,0|0,0,3]=4
5  B15R0.164  CCCCCCCCCCCCCC(=O)[O-] D06294 [0,2,0,0,0,0|0,0,1]=3