0  B5R0.1  C=CCC(=O)C 1458a_100000070787_100000210623 [1,0,0,0,0,0|3,0,0]=4
1  B5R0.1  C=CCC(=O)C 1458a_100000210193_200000210301 [1,0,0,0,0,0|3,0,0]=4
2  B5R0.1  C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [1,0,0,0,0,0|3,0,0]=4
3  B5R0.1  CN(C)CC=O 2230a_100102631434_200015260668 [1,0,0,0,0,0|2,1,0]=4
4  B5R0.1  CN(C)CC=O 269982a_100102631434_200015260668 [1,0,0,0,0,0|2,1,0]=4
5  B5R0.1  CNCC(=O)O 269956a_100016091260_200000210301 [1,0,0,0,0,0|3,0,0]=4
6  B5R0.1  [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [1,0,0,0,0,0|3,0,0]=4
7  B7R0.9  CC(=O)CC(C)(C)O 1458a_100000693243_200000210301 [0,1,0,0,0,0|3,0,0]=4
8  B7R0.9  CC(=O)CS(=O)(=O)C 1458a_100000744497_200000210301 [0,1,0,0,0,0|2,0,1]=4
9  B7R0.9  CC(=O)CS(=O)(=O)N 1458a_100000070787_100000741382 [0,1,0,0,0,0|2,0,1]=4
10  B7R0.9  CC(=O)CS(=O)(=O)[O-] 1458a_100000070787_100009817235 [0,1,0,0,0,0|1,0,2]=4
11  B7R0.9  CC(C)(O)CC(=O)[13CH3] 1458a_100000693243_200025704644 [0,1,0,0,0,0|3,0,0]=4
12  B7R0.9  CS(=O)(=O)CC(=O)[13CH3] 1458a_100000744497_200025704644 [0,1,0,0,0,0|2,0,1]=4
13  B4R0.2  CNCC=O 2230a_106832991635_200015260668 [2,0,0,0,0,0|1,1,0]=4
14  B4R0.2  CNCC=O 34a_100102657272_200009817547 [2,0,0,0,0,0|1,1,0]=4
15  B4R0.2  CNCC=O 7a_106832991635_200015260668 [2,0,0,0,0,0|1,1,0]=4
16  B4R0.2  COCC=O 34a_100138415774_200009817547 [2,0,0,0,0,0|2,0,0]=4
17  B4R0.2  CSCC=O 62a_200000210301_200015260668 [2,0,0,0,0,0|2,0,0]=4
18  B4R0.2  CSCC=O 62a_200015260668_200000210301 [2,0,0,0,0,0|2,0,0]=4
19  B4R0.2  [13CH3]SCC=O 62a_200015260668_200025704644 [2,0,0,0,0,0|2,0,0]=4
20  B4R0.2  [13CH3]SCC=O 62a_200025704644_200015260668 [2,0,0,0,0,0|2,0,0]=4
21  B6R0.1  C=CCC(=O)CO 1458a_100000210174_100000210623 [1,1,0,0,0,0|2,0,0]=4
22  B6R0.2  CC(=O)CC(=O)N 1458a_100000070787_100000187820 [1,1,0,0,0,0|2,0,0]=4
23  B6R0.2  CC(=O)CC(=O)N 1458a_100134613110_200000210301 [1,1,0,0,0,0|2,0,0]=4
24  B6R0.2  CC(=O)CC(=O)[O-] 1458a_100000070787_100020667443 [1,1,0,0,0,0|1,0,1]=4
25  B6R0.2  CC(=O)CC(C)O 1458a_100000070787_100011218427 [1,1,0,0,0,0|2,0,0]=4
26  B6R0.2  CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [1,1,0,0,0,0|2,0,0]=4
27  B6R0.2  CC(=O)C[N+](=O)[O-] 1458a_100000070787_100000761209 [1,1,0,0,0,0|0,1,1]=4
28  B6R0.2  C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [1,1,0,0,0,0|2,0,0]=4
29  B6R0.2  [13CH3]C(=O)CC(=O)N 1458a_100134613110_200025704644 [1,1,0,0,0,0|2,0,0]=4
30  B8R0.31  COCP(=O)(OC)OC 34a_100000101693_200000210301 [0,2,0,0,0,0|2,0,0]=4
31  B8R0.31  COP(=O)(CO[13CH3])OC 34a_100000101693_200025704644 [0,2,0,0,0,0|2,0,0]=4