pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.42999982833862	QSARToolbox	3	2	c1cc2nc(c1)C[NH2+]CCSCC[NH2+]Cc1cccc(n1)C[NH2+]CCSCCNC2	c1cc2nc(c1)CNCCSCC[NH2+]Cc1cccc(n1)C[NH2+]CCSCCNC2,c1cc2nc(c1)C[NH2+]CCSCCNCc1cccc(n1)C[NH2+]CCSCCNC2,c1cc2nc(c1)C[NH2+]CCSCC[NH2+]Cc1cccc(n1)CNCCSCCNC2	mol34661	c1cc2nc(c1)CNCCSCCNCc1cccc(n1)CNCCSCCNC2