pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.509999990463257	QSARToolbox	1	0	O=S1(=O)OC(c2ccc(NCCO)cc2)(c2ccc([NH2+]CCO)cc2)c2ccccc21	O=S1(=O)OC(c2ccc(NCCO)cc2)(c2ccc(NCCO)cc2)c2ccccc21	mol36919	O=S1(=O)OC(c2ccc(NCCO)cc2)(c2ccc(NCCO)cc2)c2ccccc21