0  B3R0.2  C[13C](=O)[O-] 41466 [0,0,0,0,0,0|3,0,1]=4
1  B3R0.2  O=[13C]([O-])[O-] 41464 [0,0,0,0,0,0|3,0,1]=4
2  B3R0.2  O=[15N+]([O-])[O-] 41463 [0,0,0,0,0,0|4,0,0]=4
3  B3R0.2  O=[15N+]([O-])[O-] 41467 [0,0,0,0,0,0|4,0,0]=4
4  B3R0.2  O=[N+]([O-])[O-] 41450 [0,0,0,0,0,0|4,0,0]=4
5  B3R0.2  [13CH3]C(=O)[O-] 41465 [0,0,0,0,0,0|3,0,1]=4
6  B3R0.2  [13CH3][13C](=O)O 41419 [0,0,0,0,0,0|3,0,1]=4
7  B3R0.2  [13CH3][13C](=O)[O-] 41460 [0,0,0,0,0,0|3,0,1]=4
8  B2R0.1  O=[15N][O-] 41469 [1,0,0,0,0,0|3,0,0]=4
9  B2R0.1  [13CH3][13CH2]O 41411 [1,0,0,0,0,0|2,0,0]=3
10  B4R0.1  C#C[C@H](C)N D86216 [0,1,0,0,0,0|3,0,0]=4
11  B4R0.1  C[C@H](N)C#N 96734 [0,1,0,0,0,0|3,0,0]=4
12  B4R0.1  [2H][C@@H](C)CO D98056 [0,1,0,0,0,0|3,0,0]=4
13  B4R0.3  C[13C](C)(C)Cl D97989 [0,1,0,0,0,0|2,0,0]=3
14  B4R1.2  SC1CC1 C91321 [0,0,0,1,0,0|3,0,0]=4
15  B1R0.1  [13CH]#[13CH] 41442 [2,0,0,0,0,0|1,0,1]=4
16  B1R0.1  [15NH2]O 41459 [2,0,0,0,0,0|2,0,0]=4
17  B1R0.1  [15NH2][15NH2] 41393 [2,0,0,0,0,0|2,0,0]=4
18  B3R0.1  N[13CH2][13CH2]N D98346 [1,1,0,0,0,0|2,0,0]=4
19  B3R0.1  [2H]CCI D99684 [1,1,0,0,0,0|1,1,0]=4
20  B3R0.1  [2H]CCO D98012 [1,1,0,0,0,0|2,0,0]=4
21  B5R0.4  [2H]C([2H])(Cl)CC D98751 [0,2,0,0,0,0|2,0,0]=4