pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.3	Datawarrior	1	0	CN(C)c1ccc(/C=C/c2cc[n+](O)cc2)cc1,C[NH+](C)c1ccc(/C=C/c2cc[n+]([O-])cc2)cc1	CN(C)c1ccc(/C=C/c2cc[n+]([O-])cc2)cc1	mol14935	CN(C)c1ccc(/C=C/c2cc[n+]([O-])cc2)cc1
1.42999994754791	QSARToolbox	2	1	C[NH+](C)c1ccc(/C=C/c2cc[n+](O)cc2)cc1	CN(C)c1ccc(/C=C/c2cc[n+](O)cc2)cc1,C[NH+](C)c1ccc(/C=C/c2cc[n+]([O-])cc2)cc1	mol14935	CN(C)c1ccc(/C=C/c2cc[n+]([O-])cc2)cc1