pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.3	Datawarrior	1	0	[NH3+]CCCCCc1ccncc1	NCCCCCc1ccncc1	mol12570	NCCCCCc1ccncc1
5.99	Datawarrior	2	1	[NH3+]CCCCCc1cc[nH+]cc1	[NH3+]CCCCCc1ccncc1	mol12570	NCCCCCc1ccncc1
5.98999977111816	QSARToolbox	2	1	[NH3+]CCCCCc1cc[nH+]cc1	[NH3+]CCCCCc1ccncc1	mol12570	NCCCCCc1ccncc1