0  B1R0.1  [N-]=O T72000 [0,0,0,0,0,0|1,0,0]=1
1  B0R0.1  Cl 41412 [1,0,0,0,0,0|0,0,0]=1
2  B0R0.1  Cl A12355 [1,0,0,0,0,0|0,0,0]=1
3  B0R0.1  O 41417 [1,0,0,0,0,0|0,0,0]=1
4  B0R0.1  [Br-] T71520 [1,0,0,0,0,0|0,0,0]=1
5  B0R0.1  [Br-] T71728 [1,0,0,0,0,0|0,0,0]=1
6  B0R0.1  [Co+3] H11937 [1,0,0,0,0,0|0,0,0]=1
7  B0R0.1  [Lu] A12812 [1,0,0,0,0,0|0,0,0]=1
8  B0R0.1  [O-2] A11433 [1,0,0,0,0,0|0,0,0]=1
9  B0R0.1  [O-2] AC3187 [1,0,0,0,0,0|0,0,0]=1
10  B2R0.1  CCN T72544 [0,1,0,0,0,0|2,0,0]=3
11  B2R0.1  CNC 44403 [0,1,0,0,0,0|2,0,0]=3
12  B2R0.1  CON F16476 [0,1,0,0,0,0|1,0,1]=3
13  B2R0.1  N#[13C][K] AT25919 [0,1,0,0,0,0|2,0,0]=3
14  B2R0.1  O=[15N][O-] 41396 [0,1,0,0,0,0|1,0,0]=2
15  B3R0.1  CC#CI T72724 [0,2,0,0,0,0|2,0,0]=4
16  B3R0.1  CCCN T71779 [0,2,0,0,0,0|2,0,0]=4
17  B3R0.1  NCCI AC7986 [0,2,0,0,0,0|2,0,0]=4
18  B3R0.1  [2H]CCBr D98237 [0,2,0,0,0,0|2,0,0]=4
19  B3R0.1  [2H]OC=O D99054 [0,2,0,0,0,0|1,0,0]=3
20  B3R0.1  [2H]OCC D99756 [0,2,0,0,0,0|1,0,1]=4
21  B3R0.2  CC(=N)N T70291 [0,2,0,0,0,0|2,0,0]=4
22  B3R0.2  CC(=O)O 41449 [0,2,0,0,0,0|1,0,0]=3
23  B3R0.2  CC(=O)[O-] D76174 [0,2,0,0,0,0|1,0,0]=3
24  B3R0.2  CC(=O)[O-] F20820 [0,2,0,0,0,0|1,0,0]=3
25  B3R0.2  CC(=O)[O-] T72577 [0,2,0,0,0,0|1,0,0]=3
26  B3R0.2  CC(C)N T72805 [0,2,0,0,0,0|2,0,0]=4
27  B3R0.2  CC([15NH2])=O 41452 [0,2,0,0,0,0|1,0,0]=3
28  B3R0.2  C[13C](=O)[O-] D99050 [0,2,0,0,0,0|1,0,0]=3
29  B3R0.2  C[S@@](N)=O A10759 [0,2,0,0,0,0|1,0,0]=3
30  B3R0.2  IB(I)I AT18325 [0,2,0,0,0,0|2,0,0]=4
31  B3R0.2  N=C(N)N T72005 [0,2,0,0,0,0|2,0,0]=4
32  B3R0.2  N[13C](N)=O 41441 [0,2,0,0,0,0|1,0,0]=3
33  B3R0.2  O=C([O-])[O-] H11985 [0,2,0,0,0,0|1,0,0]=3
34  B3R0.2  O=[15N+]([O-])[O-] 41462 [0,2,0,0,0,0|1,0,0]=3
35  B3R0.2  O=[15N+]([O-])[O-] 41468 [0,2,0,0,0,0|1,0,0]=3
36  B3R0.2  [2H]C(=O)O T73068 [0,2,0,0,0,0|1,0,0]=3
37  B3R0.2  [2H]C(=O)[O-] D97993 [0,2,0,0,0,0|1,0,0]=3
38  B3R0.2  [2H]C(N)=O D97871 [0,2,0,0,0,0|1,0,0]=3
39  B3R0.2  [2H]N(C)C D98629 [0,2,0,0,0,0|2,0,0]=4
40  B3R0.2  [2H][C@@H](C)I D98644 [0,2,0,0,0,0|2,0,0]=4