pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.87000000476837	QSARToolbox	4	3	c1ccc(C[NH2+]CCSSCC[NH2+]Cc2cccc[nH+]2)[nH+]c1	c1ccc(C[NH2+]CCSSCC[NH2+]Cc2cccc[nH+]2)nc1,c1ccc(CNCCSSCC[NH2+]Cc2cccc[nH+]2)[nH+]c1	mol34535	c1ccc(CNCCSSCCNCc2ccccn2)nc1