0  B7R0.13  CC(=O)C(C)(C)C#N LN01353121 [0,0,0,0,0,0|3,0,0]=3
1  B7R0.13  CC(C)(CN)C(N)=O AC182049 [0,0,0,0,0,0|2,0,2]=4
2  B6R0.3  CCC(N)C(N)=O AC021619 [1,0,0,0,0,0|2,0,1]=4
3  B6R0.7  CC(C)(Br)C(N)=O AC511105 [1,0,0,0,0,0|1,0,1]=3
4  B6R0.7  CC(C)(Br)C(O)=O AC130551 [1,0,0,0,0,0|2,0,1]=4
5  B6R0.7  NC(=O)C(F)(F)F AC500318 [1,0,0,0,0,0|1,2,0]=4
6  B6R0.7  [O-]C(=O)C(F)(F)Br AC040155 [1,0,0,0,0,0|2,1,0]=4
7  B8R1.63  OC(=O)C1(CC1)C#N AC100064 [0,0,0,1,0,0|3,0,0]=4
8  B5R0.1  CC(=O)CC#N AC511126 [2,0,0,0,0,0|1,0,0]=3
9  B5R0.1  CC(N)CC#N AC120042 [2,0,0,0,0,0|1,0,1]=4
10  B5R0.1  NCCC(N)=O AC510910 [2,0,0,0,0,0|0,0,2]=4
11  B5R0.1  OC(=O)CC#C AC511130 [2,0,0,0,0,0|2,0,0]=4
12  B5R0.3  BrC(C=O)C=O AC181018 [2,0,0,0,0,0|1,0,1]=4