pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.25	Datawarrior	1	0	CN(C)c1ccc(/C=C/c2cc[nH+]cc2)cc1,C[NH+](C)c1ccc(/C=C/c2ccncc2)cc1	CN(C)c1ccc(/C=C/c2ccncc2)cc1	mol15150	CN(C)c1ccc(/C=C/c2ccncc2)cc1
6.34000015258789	QSARToolbox	1	0	CN(C)c1ccc(/C=C/c2cc[nH+]cc2)cc1,C[NH+](C)c1ccc(/C=C/c2ccncc2)cc1	CN(C)c1ccc(/C=C/c2ccncc2)cc1	mol15150	CN(C)c1ccc(/C=C/c2ccncc2)cc1
3.42	Datawarrior	2	1	C[NH+](C)c1ccc(/C=C/c2cc[nH+]cc2)cc1	CN(C)c1ccc(/C=C/c2cc[nH+]cc2)cc1,C[NH+](C)c1ccc(/C=C/c2ccncc2)cc1	mol15150	CN(C)c1ccc(/C=C/c2ccncc2)cc1