0  B7R0.9  CC(=O)CC(C)(C)O 1458a_100000693243_200000210301 [0,0,0,0,0,0|4,0,0]=4
1  B7R0.9  CC(=O)CS(=O)(=O)C 1458a_100000744497_200000210301 [0,0,0,0,0,0|3,0,1]=4
2  B7R0.9  CC(=O)CS(=O)(=O)N 1458a_100000070787_100000741382 [0,0,0,0,0,0|3,0,1]=4
3  B7R0.9  CC(=O)CS(=O)(=O)[O-] 1458a_100000070787_100009817235 [0,0,0,0,0,0|2,0,2]=4
4  B7R0.9  CC(C)(O)CC(=O)[13CH3] 1458a_100000693243_200025704644 [0,0,0,0,0,0|4,0,0]=4
5  B7R0.9  CS(=O)(=O)CC(=O)[13CH3] 1458a_100000744497_200025704644 [0,0,0,0,0,0|3,0,1]=4
6  B6R0.2  CC(=O)CC(=O)N 1458a_100000070787_100000187820 [1,0,0,0,0,0|3,0,0]=4
7  B6R0.2  CC(=O)CC(=O)N 1458a_100134613110_200000210301 [1,0,0,0,0,0|3,0,0]=4
8  B6R0.2  CC(=O)CC(=O)[O-] 1458a_100000070787_100020667443 [1,0,0,0,0,0|2,0,1]=4
9  B6R0.2  CC(=O)CC(C)O 1458a_100000070787_100011218427 [1,0,0,0,0,0|3,0,0]=4
10  B6R0.2  CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [1,0,0,0,0,0|3,0,0]=4
11  B6R0.2  CC(=O)C[N+](=O)[O-] 1458a_100000070787_100000761209 [1,0,0,0,0,0|1,1,1]=4
12  B6R0.2  CN(C)CC(=O)O 269956a_100000746989_200000210301 [1,0,0,0,0,0|2,1,0]=4
13  B6R0.2  CN([13CH3])CC(=O)O 269956a_100000746989_200025704644 [1,0,0,0,0,0|2,1,0]=4
14  B6R0.2  C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [1,0,0,0,0,0|3,0,0]=4
15  B6R0.2  [13CH3]C(=O)CC(=O)N 1458a_100134613110_200025704644 [1,0,0,0,0,0|3,0,0]=4
16  B8R0.24  NS(=O)(=O)CC(=O)CO 1458a_100000210174_100000741382 [0,1,0,0,0,0|2,0,1]=4
17  B8R0.24  O=C(CO)CS(=O)(=O)[O-] 1458a_100000210174_100009817235 [0,1,0,0,0,0|1,0,2]=4
18  B5R0.1  CC(=O)CCO 1458a_100000070787_100000211926 [2,0,0,0,0,0|2,0,0]=4
19  B5R0.1  CC(=O)CCO 1458a_100011216618_200000210301 [2,0,0,0,0,0|2,0,0]=4
20  B5R0.1  CNCC(=O)O 269956a_100016091260_200000210301 [2,0,0,0,0,0|1,1,0]=4
21  B5R0.1  [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [2,0,0,0,0,0|2,0,0]=4
22  B5R0.1  [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [2,0,0,0,0,0|1,1,0]=4
23  B7R0.2  CC(O)CC(=O)CO 1458a_100000210174_100011218427 [1,1,0,0,0,0|2,0,0]=4
24  B7R0.2  COC(=O)CC(=O)C 1458a_100000070787_100000747449 [1,1,0,0,0,0|2,0,0]=4
25  B7R0.2  COC(=O)CC(=O)C 1458a_100000211351_200000210301 [1,1,0,0,0,0|2,0,0]=4
26  B7R0.2  COC(=O)CC(=O)[13CH3] 1458a_100000211351_200025704644 [1,1,0,0,0,0|2,0,0]=4
27  B7R0.2  NC(=O)CC(=O)CO 1458a_100000210174_100000187820 [1,1,0,0,0,0|2,0,0]=4
28  B7R0.2  O=C(CO)C[N+](=O)[O-] 1458a_100000210174_100000761209 [1,1,0,0,0,0|0,1,1]=4
29  B7R0.2  O=C([O-])CC(=O)CO 1458a_100000210174_100020667443 [1,1,0,0,0,0|1,0,1]=4
30  B9R0.63  COP(=O)(CC(=O)C)OC 1458a_100000034275_200000210301 [0,2,0,0,0,0|1,0,0]=3
31  B9R0.63  COP(=O)(CC(=O)[13CH3])OC 1458a_100000034275_200025704644 [0,2,0,0,0,0|1,0,0]=3
32  B5R0.5  CC(=O)C(O)O 1458a_100000233687_200000210301 [1,0,0,0,1,0|2,0,0]=4
33  B5R0.5  [13CH3]C(=O)C(O)O 1458a_100000233687_200025704644 [1,0,0,0,1,0|2,0,0]=4