0  B5R0.3  CC[C@H](O)CN 4038369 [0,1,0,0,0,0|2,0,1]=4
1  B5R1.4  C[C@@H]1C[C@H]1N 4045459 [0,0,0,1,0,0|2,0,1]=4
2  B4R0.1  CC(C)NN 4091043 [1,1,0,0,0,0|1,0,1]=4