0  B3R0.2  CC(=N)N T70291 [0,0,0,0,0,0|4,0,0]=4
1  B3R0.2  CC(=O)O 41449 [0,0,0,0,0,0|4,0,0]=4
2  B3R0.2  CC(=O)[O-] D76174 [0,0,0,0,0,0|4,0,0]=4
3  B3R0.2  CC(=O)[O-] F20820 [0,0,0,0,0,0|4,0,0]=4
4  B3R0.2  CC(=O)[O-] T72577 [0,0,0,0,0,0|4,0,0]=4
5  B3R0.2  CC(C)N T72805 [0,0,0,0,0,0|4,0,0]=4
6  B3R0.2  CC([15NH2])=O 41452 [0,0,0,0,0,0|4,0,0]=4
7  B3R0.2  C[13C](=O)[O-] D99050 [0,0,0,0,0,0|4,0,0]=4
8  B3R0.2  C[S@@](N)=O A10759 [0,0,0,0,0,0|4,0,0]=4
9  B3R0.2  IB(I)I AT18325 [0,0,0,0,0,0|1,3,0]=4
10  B3R0.2  N=C(N)N T72005 [0,0,0,0,0,0|4,0,0]=4
11  B3R0.2  N[13C](N)=O 41441 [0,0,0,0,0,0|4,0,0]=4
12  B3R0.2  O=C([O-])[O-] H11985 [0,0,0,0,0,0|4,0,0]=4
13  B3R0.2  O=[15N+]([O-])[O-] 41462 [0,0,0,0,0,0|4,0,0]=4
14  B3R0.2  O=[15N+]([O-])[O-] 41468 [0,0,0,0,0,0|4,0,0]=4
15  B3R0.2  [2H]C(=O)O T73068 [0,0,0,0,0,0|4,0,0]=4
16  B3R0.2  [2H]C(=O)[O-] D97993 [0,0,0,0,0,0|4,0,0]=4
17  B3R0.2  [2H]C(N)=O D97871 [0,0,0,0,0,0|4,0,0]=4
18  B3R0.2  [2H]N(C)C D98629 [0,0,0,0,0,0|4,0,0]=4
19  B3R0.2  [2H][C@@H](C)I D98644 [0,0,0,0,0,0|3,1,0]=4
20  B2R0.1  CCN T72544 [1,0,0,0,0,0|3,0,0]=4
21  B2R0.1  CNC 44403 [1,0,0,0,0,0|3,0,0]=4
22  B2R0.1  CON F16476 [1,0,0,0,0,0|3,0,0]=4
23  B2R0.1  N#[13C][K] AT25919 [1,0,0,0,0,0|3,0,0]=4
24  B2R0.1  O=[15N][O-] 41396 [1,0,0,0,0,0|3,0,0]=4
25  B4R0.1  C=C(Cl)CI AT26028 [0,1,0,0,0,0|2,1,0]=4
26  B4R0.3  CP(C)(=O)Cl AT21855 [0,1,0,0,0,0|3,0,0]=4
27  B4R0.3  CP(C)(=S)Cl T71511 [0,1,0,0,0,0|3,0,0]=4
28  B4R0.3  C[Ge](C)(C)Cl T71831 [0,1,0,0,0,0|3,0,0]=4
29  B4R0.3  [2H]C(C)(C)Cl D98394 [0,1,0,0,0,0|3,0,0]=4
30  B4R0.3  [2H]C([2H])(C)Cl D98462 [0,1,0,0,0,0|3,0,0]=4
31  B4R0.3  [2H]C([2H])(Cl)I D99096 [0,1,0,0,0,0|2,1,0]=4
32  B1R0.1  [N-]=O T72000 [2,0,0,0,0,0|2,0,0]=4
33  B5R0.5  C[C@H](Cl)C(=O)Cl AT22451 [0,2,0,0,0,0|2,0,0]=4
34  B5R0.5  [2H]C(Cl)=C(Cl)Cl D98140 [0,2,0,0,0,0|1,0,0]=3
35  B5R0.5  [2H]C([2H])=C(Cl)Cl D99198 [0,2,0,0,0,0|2,0,0]=4
36  B5R0.5  [2H]\C(Cl)=C(\[2H])Cl D97899 [0,2,0,0,0,0|2,0,0]=4