N#Cc1ccc(C(F)(F)F)nc1O[C@H](CCN)c1ccno1    mol528    0_1
N#Cc1ccc(C(F)(F)F)[nH+]c1O[C@H](CCN)c1ccno1    mol528    1_1
N#Cc1ccc(C(F)(F)F)nc1O[C@H](CC[NH3+])c1ccno1    mol528    1_2
N#Cc1ccc(C(F)(F)F)nc1O[C@H](CCN)c1cc[nH+]o1    mol528    1_3