0  B3R0.1  NCCS HY-77591R [0,0,1,0,0,0|1,1,0]=3
1  B3R0.1  N[13CH2][13CH2]O HY-W035903S [0,0,1,0,0,0|1,0,0]=2
2  B3R0.1  O=CO[Na] HY-W088065 [0,0,1,0,0,0|2,0,1]=4
3  B3R0.1  O=[13CH]O[Na] HY-W088065S [0,0,1,0,0,0|2,0,1]=4
4  B3R0.1  OCCO HY-Y0873 [0,0,1,0,0,0|1,0,0]=2
5  B3R0.1  OCCO HY-Y0873A3 [0,0,1,0,0,0|1,0,0]=2
6  B3R0.1  [13CH](=O)[13CH2]O HY-W779008 [0,0,1,0,0,0|1,0,1]=3
7  B3R0.2  BrC(Br)I HY-133641 [0,0,1,0,0,0|3,0,0]=4
8  B3R0.2  CC(=O)O HY-P0119A [0,0,1,0,0,0|1,0,1]=3
9  B3R0.2  CC([15NH2])=O HY-Y0946S [0,0,1,0,0,0|1,0,2]=4
10  B3R0.2  CS(C)=O HY-Y0320 [0,0,1,0,0,0|1,0,1]=3
11  B3R0.2  CS(C)=O HY-Y0320C [0,0,1,0,0,0|1,0,1]=3
12  B3R0.2  CS(C)=O HY-Y0320D [0,0,1,0,0,0|1,0,1]=3
13  B3R0.2  ClC(Cl)I HY-133642 [0,0,1,0,0,0|3,0,0]=4
14  B3R0.2  O=[Si](O)O HY-B0314 [0,0,1,0,0,0|2,1,0]=4
15  B3R0.2  O[AlH3](O)O HY-W116335A [0,0,1,0,0,0|3,0,0]=4
16  B3R0.2  [2H][13C](=O)O HY-W088065S1 [0,0,1,0,0,0|2,0,1]=4
17  B5R1.2  C[C@H]1CCN1 HY-35279 [0,0,0,0,0,1|1,0,0]=2
18  B2R0.1  C=CO HY-Y0850L [1,0,1,0,0,0|0,0,2]=4
19  B2R0.1  C=CO HY-Y0850M [1,0,1,0,0,0|0,0,2]=4
20  B2R0.1  C=CO HY-Y0850O [1,0,1,0,0,0|0,0,2]=4
21  B2R0.1  C=CO HY-Y0850U4 [1,0,1,0,0,0|0,0,2]=4
22  B2R0.1  [2H]OC HY-W025916 [1,0,1,0,0,0|1,0,0]=3
23  B2R0.1  [2H]O[K] HY-Y0605S1 [1,0,1,0,0,0|2,0,0]=4
24  B2R0.1  [3H]CC HY-P99179 [1,0,1,0,0,0|1,0,0]=3
25  B4R0.1  CC(=O)CN HY-W004850 [0,1,1,0,0,0|1,0,1]=4
26  B4R0.1  CCB(O)O HY-W000933 [0,1,1,0,0,0|1,0,0]=3
27  B4R0.1  C[C@H](N)CO HY-Y0837 [0,1,1,0,0,0|0,0,0]=2
28  B4R0.1  C[C@H](O)CO HY-79334 [0,1,1,0,0,0|0,0,0]=2
29  B4R0.1  [13CH3][13CH2][13C](=O)O HY-B1773AS3 [0,1,1,0,0,0|0,0,1]=3
30  B4R0.1  [13CH3][13C](=O)O[Na] HY-W749209 [0,1,1,0,0,0|1,0,1]=4
31  B4R0.1  [15NH2]C[13C](=O)O HY-Y0966S5 [0,1,1,0,0,0|1,0,1]=4
32  B4R0.1  [15NH2][13CH2]C(=O)O HY-Y0966S7 [0,1,1,0,0,0|1,0,1]=4
33  B4R0.1  [15NH2][13CH2][13C](=O)O HY-Y0966S6 [0,1,1,0,0,0|1,0,1]=4
34  B4R0.2  CCCNC HY-W250110E [0,1,1,0,0,0|1,0,0]=3
35  B4R0.2  CCCNC HY-W250110I [0,1,1,0,0,0|1,0,0]=3
36  B4R0.3  C[N+](C)(C)C HY-W012954B [0,1,1,0,0,0|2,0,0]=4
37  B6R1.6  OC[C@H]1CCN1 HY-W061628 [0,1,0,0,0,1|1,0,0]=3
38  B6R1.2  S=C1NCCO1 HY-W038985 [0,0,0,0,0,2|1,0,1]=4
39  B6R1.2  [C@H]1(F)CCNC1 HY-W004695 [0,0,0,0,0,2|2,0,0]=4