pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.67999982833862	QSARToolbox	2	1	c1[nH]cc(CCC[NH2+]c2nc3cc4c(cc3[nH]2)OCO4)[nH+]1,c1[nH]cc(CCCNc2[nH]c3cc4c(cc3[nH+]2)OCO4)[nH+]1,c1nc(CCC[NH2+]c2[nH]c3cc4c(cc3[nH+]2)OCO4)c[nH]1	c1[nH]cc(CCCNc2nc3cc4c(cc3[nH]2)OCO4)[nH+]1,c1nc(CCC[NH2+]c2nc3cc4c(cc3[nH]2)OCO4)c[nH]1,c1nc(CCCNc2[nH]c3cc4c(cc3[nH+]2)OCO4)c[nH]1	mol34528	c1nc(CCCNc2nc3cc4c(cc3[nH]2)OCO4)c[nH]1