pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.04	Datawarrior	1	0	C[NH+]1CC=C[C@@H]1c1cccnc1	CN1CC=C[C@@H]1c1cccnc1	mol12777	CN1CC=CC1c1cccnc1
6.96000003814697	QSARToolbox	1	0	C[NH+]1CC=C[C@@H]1c1cccnc1	CN1CC=C[C@@H]1c1cccnc1	mol12777	CN1CC=CC1c1cccnc1