0  B6R1.2  CC1=CNN=C1 HY-B0876 [0,0,0,0,0,0|3,0,1]=4
1  B6R1.2  S=C1N=CNN1 HY-W012991 [0,0,0,0,0,0|3,0,1]=4
2  B6R1.2  S=C1NCCO1 HY-W038985 [0,0,0,0,0,0|3,0,1]=4
3  B6R1.2  [C@H]1(F)CCNC1 HY-W004695 [0,0,0,0,0,0|3,0,1]=4
4  B5R1.1  C1CSCN1 HY-I0144 [1,0,0,0,0,0|0,0,2]=3
5  B7R1.1  [C@H]1(CN)CCCO1 HY-W010601 [0,1,0,0,0,0|2,0,1]=4
6  B7R1.4  CC1OCCC1=O HY-W010608 [0,1,0,0,0,0|2,1,0]=4
7  B5R0.1  CNCC(=O)O HY-W012791 [0,0,1,0,0,0|3,0,0]=4
8  B5R0.1  C\C=C\C(C)=O HY-34748 [0,0,1,0,0,0|2,0,1]=4
9  B5R0.2  C=CCCCO HY-W010639 [0,0,1,0,0,0|2,0,1]=4
10  B5R0.3  CC[C@H](C)CO HY-W093104 [0,0,1,0,0,0|1,1,1]=4
11  B5R1.2  C[C@H]1CCN1 HY-35279 [0,0,0,0,1,0|0,0,2]=3
12  B7R1.3  CC1=CCCCC1 HY-W004338 [0,0,0,0,0,1|2,0,0]=3
13  B4R0.1  CC(=O)CN HY-W004850 [1,0,1,0,0,0|2,0,0]=4
14  B4R0.1  CSC(=N)N HY-79457 [1,0,1,0,0,0|1,0,0]=3
15  B4R0.1  [13CH3][13CH2][13C](=O)O HY-B1773AS3 [1,0,1,0,0,0|2,0,0]=4
16  B4R0.2  CCCNC HY-W250110E [1,0,1,0,0,0|1,0,1]=4
17  B4R0.2  CCCNC HY-W250110I [1,0,1,0,0,0|1,0,1]=4
18  B6R1.6  OC[C@H]1CCN1 HY-W061628 [0,1,0,0,1,0|0,0,2]=4
19  B8R1.4  CC1CCN=C(N)S1 HY-101251 [0,1,0,0,0,1|2,0,0]=4