0  B20R0.2931  CCCCCCCCCCCCCCCC(=O)NC(=O)N S821128 [0,0,0,0,1,0|1,0,0]=2
1  B20R0.2931  CCCCCCCCCCCCCCCC(=O)NC(=S)N S813451 [0,0,0,0,1,0|1,1,0]=3
2  B19R0.149  CCCCCCCCCCCCCCCCCC(=O)O CDS003412 [2,0,0,0,0,0|0,0,1]=3
3  B19R0.149  CCCCCCCCCCCCCCCCCC(=O)O S825972 [2,0,0,0,0,0|0,0,1]=3
4  B19R0.149  CCCCCCCCCCCCCCCCCC(=O)O S825980 [2,0,0,0,0,0|0,0,1]=3
5  B19R0.149  CCCCCCCCCCCCCCCCCC(=O)[O-] CDS003888 [2,0,0,0,0,0|0,0,2]=4
6  B19R0.149  CCCCCCCCCCCCCCCCCC(=O)[O-] S836826 [2,0,0,0,0,0|0,0,2]=4
7  B19R0.149  CCCCCCCCCCCCCCCCNC(=O)N S810681 [2,0,0,0,0,0|1,0,1]=4
8  B19R0.157  CCCCCCCCCCCCCC(=O)NCC(=O)O CDS007442 [2,0,0,0,0,0|0,0,0]=2
9  B19R0.157  CCCCCCCCCCCCOC(=O)CCC(=O)O S568503 [2,0,0,0,0,0|2,0,0]=4
10  B23R0.58308  CCCCCCCCCCCCCCCCS(=O)(=O)CCC(=O)O S233447 [0,2,0,0,0,0|2,0,0]=4
11  B23R0.9276  CCCCCCCCCCCCCCCCCC(=O)OCC(=O)O PH003627 [0,2,0,0,0,0|1,0,0]=3
12  B23R0.9276  CCCCCCCCCCCCCCCCNC(=O)/C=C/C(=O)O S703494 [0,2,0,0,0,0|1,0,1]=4
13  B23R0.9276  CCCCCCCCCCCCCCCCOC(=O)CCC(=O)O S742260 [0,2,0,0,0,0|1,0,0]=3
14  B21R1.106916  CCCCCCCCCCCCCCC1CC(=O)OC1=O S370673 [0,0,0,1,1,0|2,0,0]=4