0  B5R1.1  C1CSCN1 HY-I0144 [0,0,0,0,0,0|1,0,0]=1
1  B6R1.2  S=C1NCCO1 HY-W038985 [0,1,0,0,0,0|1,0,1]=3
2  B6R1.2  [C@H]1(F)CCNC1 HY-W004695 [0,1,0,0,0,0|0,0,0]=1
3  B4R0.2  CCCNC HY-W250110E [0,0,1,0,0,0|0,0,0]=1
4  B4R0.2  CCCNC HY-W250110I [0,0,1,0,0,0|0,0,0]=1
5  B3R0.1  NCCS HY-77591R [1,0,1,0,0,0|1,0,0]=3
6  B3R0.1  N[13CH2][13CH2]O HY-W035903S [1,0,1,0,0,0|1,0,0]=3
7  B3R0.1  OCCO HY-Y0873 [1,0,1,0,0,0|2,0,0]=4
8  B3R0.1  OCCO HY-Y0873A3 [1,0,1,0,0,0|2,0,0]=4
9  B5R0.1  CNCC(=O)O HY-W012791 [0,1,1,0,0,0|1,0,1]=4
10  B5R0.1  [15NH2]CCC(=O)O HY-N0230S1 [0,1,1,0,0,0|1,0,1]=4
11  B5R0.2  C=CCCCO HY-W010639 [0,1,1,0,0,0|1,0,1]=4
12  B5R0.3  CCC(O)CC HY-W087988 [0,1,1,0,0,0|1,0,0]=3
13  B5R0.3  CC[C@H](C)CO HY-W093104 [0,1,1,0,0,0|1,0,0]=3
14  B5R0.3  CC[PH](=O)CC HY-W094280 [0,1,1,0,0,0|0,1,0]=3
15  B5R0.3  OCC(Cl)CO HY-W585827 [0,1,1,0,0,0|2,0,0]=4
16  B5R0.3  OCC(O)CS HY-W010572 [0,1,1,0,0,0|2,0,0]=4
17  B5R0.3  OC[13CH](O)CO HY-B1659S2 [0,1,1,0,0,0|2,0,0]=4
18  B5R0.3  O[13CH2]C(O)[13CH2]O HY-B1659S4 [0,1,1,0,0,0|2,0,0]=4
19  B5R0.3  O[13CH2][13CH](O)[13CH2]O HY-B1659S5 [0,1,1,0,0,0|2,0,0]=4
20  B5R1.2  C[C@H]1CCN1 HY-35279 [0,1,0,0,1,0|0,0,0]=2
21  B7R1.3  CC1=CCCCC1 HY-W004338 [0,1,0,0,0,1|1,0,0]=3
22  B7R1.1  O=CN1CCCC1 HY-W102648 [0,2,0,0,0,0|0,0,0]=2
23  B7R1.1  O=NN1CCCC1 HY-W141077 [0,2,0,0,0,0|0,0,0]=2
24  B7R1.1  [C@H]1(CN)CCCO1 HY-W010601 [0,2,0,0,0,0|1,0,0]=3
25  B7R1.2  O=C1CCC(=O)[15NH]1 HY-41877S [0,2,0,0,0,0|0,0,2]=4
26  B7R1.4  CC1OCCC1=O HY-W010608 [0,2,0,0,0,0|1,0,1]=4
27  B7R1.4  NN1CCOC1=O HY-W012982 [0,2,0,0,0,0|1,0,1]=4
28  B7R1.14  O=S1(=O)CCCO1 HY-W010479 [0,2,0,0,0,0|2,0,0]=4