pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.8	Datawarrior	1	0	CCCn1nnnc1[NH3+],CCCn1[nH+]nnc1N,CCCn1nn[nH+]c1N,CCCn1n[nH+]nc1N	CCCn1nnnc1N	mol4306	CCCn1nnnc1N
1.79999995231628	QSARToolbox	1	0	CCCn1nnnc1[NH3+],CCCn1[nH+]nnc1N,CCCn1nn[nH+]c1N,CCCn1n[nH+]nc1N	CCCn1nnnc1N	mol4306	CCCn1nnnc1N