0  B2R0.1  O=[15N][O-] 41469 [0,0,0,0,0,0|3,0,0]=3
1  B2R0.1  [13CH3][13CH2]O 41411 [0,0,0,0,0,0|3,0,0]=3
2  B1R0.1  [13CH]#[13CH] 41442 [1,0,0,0,0,0|2,0,0]=3
3  B1R0.1  [15NH2]O 41459 [1,0,0,0,0,0|2,0,0]=3
4  B1R0.1  [15NH2][15NH2] 41393 [1,0,0,0,0,0|2,0,0]=3
5  B3R0.1  N[13CH2][13CH2]N D98346 [0,1,0,0,0,0|3,0,0]=4
6  B3R0.1  [2H]CCI D99684 [0,1,0,0,0,0|2,1,0]=4
7  B3R0.1  [2H]CCO D98012 [0,1,0,0,0,0|3,0,0]=4
8  B3R0.2  C[13C](=O)[O-] 41466 [0,1,0,0,0,0|3,0,0]=4
9  B3R0.2  O=[13C]([O-])[O-] 41464 [0,1,0,0,0,0|3,0,0]=4
10  B3R0.2  O=[15N+]([O-])[O-] 41463 [0,1,0,0,0,0|3,0,0]=4
11  B3R0.2  O=[15N+]([O-])[O-] 41467 [0,1,0,0,0,0|3,0,0]=4
12  B3R0.2  O=[N+]([O-])[O-] 41450 [0,1,0,0,0,0|3,0,0]=4
13  B3R0.2  [13CH3]C(=O)[O-] 41465 [0,1,0,0,0,0|3,0,0]=4
14  B3R0.2  [13CH3][13C](=O)O 41419 [0,1,0,0,0,0|3,0,0]=4
15  B3R0.2  [13CH3][13C](=O)[O-] 41460 [0,1,0,0,0,0|3,0,0]=4
16  B4R0.3  C[13C](C)(C)Cl D97989 [0,2,0,0,0,0|2,0,0]=4