pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.61999988555908	QSARToolbox	2	1	c1cc2ccc3ccc4nc3c2nc1CNCCOCC[NH2+]Cc1ccc2ccc3ccc(nc3c2n1)CNCCOCC[NH2+]C4,c1cc2ccc3ccc4nc3c2nc1CNCCOCC[NH2+]Cc1ccc2ccc3ccc(nc3c2n1)C[NH2+]CCOCCNC4,c1cc2ccc3ccc4nc3c2nc1CNCCOCCNCc1ccc2ccc3ccc(nc3c2n1)C[NH2+]CCOCC[NH2+]C4	c1cc2ccc3ccc4nc3c2nc1CNCCOCCNCc1ccc2ccc3ccc([nH+]c3c2n1)CNCCOCCNC4,c1cc2ccc3ccc4nc3c2nc1CNCCOCCNCc1ccc2ccc3ccc(nc3c2n1)C[NH2+]CCOCCNC4	mol34647	c1cc2ccc3ccc4nc3c2nc1CNCCOCCNCc1ccc2ccc3ccc(nc3c2n1)CNCCOCCNC4