pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.2	Baltruschat ChEMBL	1	0	C[C@]1(c2cccc(-c3cncc(F)c3)c2)[NH+]=C(N)[C@H]2CCCCN21,C[C@]1(c2cccc(-c3cncc(F)c3)c2)N=C(N)[C@H]2CCCC[NH+]21	C[C@]1(c2cccc(-c3cncc(F)c3)c2)N=C(N)[C@H]2CCCCN21	mol21082	C[C@]1(c2cccc(-c3cncc(F)c3)c2)N=C(N)[C@H]2CCCCN21