0  B4R0.1  C=C[C@H](C)N N11431 [0,1,0,0,0,0|2,0,1]=4
1  B4R0.1  C[C@H](N)C#N 96735 [0,1,0,0,0,0|1,0,2]=4
2  B4R0.1  C[C@H](N)CF AC1331 [0,1,0,0,0,0|2,0,1]=4
3  B4R0.1  NC(=S)CF E70025 [0,1,0,0,0,0|1,1,0]=3
4  B5R1.4  N[C@H]1C[C@H]1N P19582 [0,1,0,1,0,0|1,0,1]=4