0 B3R0.2 C[13C](=O)[O-] 41466 [0,0,0,0,0,0|2,0,1]=3 1 B3R0.2 O=[13C]([O-])[O-] 41464 [0,0,0,0,0,0|2,0,1]=3 2 B3R0.2 O=[15N+]([O-])[O-] 41463 [0,0,0,0,0,0|3,0,1]=4 3 B3R0.2 O=[15N+]([O-])[O-] 41467 [0,0,0,0,0,0|3,0,1]=4 4 B3R0.2 O=[N+]([O-])[O-] 41450 [0,0,0,0,0,0|3,0,1]=4 5 B3R0.2 [13CH3]C(=O)[O-] 41465 [0,0,0,0,0,0|2,0,1]=3 6 B3R0.2 [13CH3][13C](=O)O 41419 [0,0,0,0,0,0|2,0,0]=2 7 B3R0.2 [13CH3][13C](=O)[O-] 41460 [0,0,0,0,0,0|2,0,1]=3 8 B2R0.1 O=[15N][O-] 41469 [1,0,0,0,0,0|2,0,1]=4 9 B2R0.1 [13CH3][13CH2]O 41411 [1,0,0,0,0,0|1,0,1]=3 10 B4R0.1 C#C[C@H](C)N D86216 [0,1,0,0,0,0|2,0,1]=4 11 B4R0.1 CN(N)C=O D74578 [0,1,0,0,0,0|2,0,1]=4 12 B4R0.1 C[C@H](N)C#N 96734 [0,1,0,0,0,0|1,0,2]=4 13 B4R0.1 NC(=S)CO D75093 [0,1,0,0,0,0|1,0,0]=2 14 B4R0.1 [2H][C@@H](C)CO D98056 [0,1,0,0,0,0|2,0,1]=4 15 B4R0.3 O=P(O)(O)O 41446 [0,1,0,0,0,0|3,0,0]=4 16 B4R0.3 O=P(O)(O)O 41451 [0,1,0,0,0,0|3,0,0]=4 17 B1R0.1 [13CH]#[13CH] 41442 [2,0,0,0,0,0|1,0,1]=4 18 B1R0.1 [15NH2]O 41459 [2,0,0,0,0,0|0,0,0]=2 19 B1R0.1 [15NH2][15NH2] 41393 [2,0,0,0,0,0|0,0,1]=3 20 B3R0.1 N[13CH2][13CH2]N D98346 [1,1,0,0,0,0|0,0,2]=4 21 B3R0.1 [2H]CCO D98012 [1,1,0,0,0,0|1,0,1]=4 22 B5R0.1 CNC[C@H](C)O C77457 [0,2,0,0,0,0|1,0,1]=4 23 B5R0.1 COCC(=N)N D87837 [0,2,0,0,0,0|0,0,0]=2 24 B5R0.1 C[C@H](O)CCN D77178 [0,2,0,0,0,0|1,0,1]=4 25 B5R0.3 C#C[C@@H](N)CO F30989 [0,2,0,0,0,0|1,0,1]=4 26 B5R0.3 C#C[C@@H](O)CN F30338 [0,2,0,0,0,0|1,0,1]=4 27 B5R0.3 CC[C@H](O)CN D72871 [0,2,0,0,0,0|1,0,1]=4 28 B5R0.3 C[C@@H](CN)CO 70250 [0,2,0,0,0,0|1,0,1]=4 29 B5R0.3 NC[C@H](F)CO AT21905 [0,2,0,0,0,0|1,0,1]=4 30 B5R0.3 NC[C@H](N)CO D75091 [0,2,0,0,0,0|0,0,2]=4 31 B5R0.3 NC[C@H](N)CO D75092 [0,2,0,0,0,0|0,0,2]=4 32 B5R0.3 N[C@@H](CO)CF D75094 [0,2,0,0,0,0|1,0,1]=4 33 B5R0.3 O=C(CO)CBr AC6051 [0,2,0,0,0,0|2,0,0]=4 34 B5R0.5 CC(=O)[C@H](C)N 91521 [0,2,0,0,0,0|1,0,1]=4 35 B5R0.5 C[C@H](O)[C@@H](C)N E72739 [0,2,0,0,0,0|1,0,1]=4 36 B5R0.5 N=C(N)C(F)F AT24498 [0,2,0,0,0,0|1,0,0]=3 37 B5R0.5 [13CH3][13C@H]([15NH2])[13C](=O)O D98095 [0,2,0,0,0,0|1,0,0]=3 38 B5R1.4 NC1CC1O 92033 [0,1,0,1,0,0|1,0,1]=4 39 B5R1.5 NC1(O)CC1 92035 [0,1,0,1,0,0|1,0,1]=4