pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.40000009536743	QSARToolbox	3	2	CC[NH+](CC)CCCNc1[nH+]ccc2c(C)c3c(cc12)c1c[nH+]ccc1n3C,CC[NH+](CC)CCC[NH2+]c1nccc2c(C)c3c(cc12)c1c[nH+]ccc1n3C	CC[NH+](CC)CCCNc1nccc2c(C)c3c(cc12)c1c[nH+]ccc1n3C,CC[NH+](CC)CCCNc1[nH+]ccc2c(C)c3c(cc12)c1cnccc1n3C,CC[NH+](CC)CCC[NH2+]c1nccc2c(C)c3c(cc12)c1cnccc1n3C	mol35636	CCN(CC)CCCNc1nccc2c(C)c3c(cc12)c1cnccc1n3C