pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.54	Datawarrior	0	-1	O=C(O)CCCc1cccs1	O=C([O-])CCCc1cccs1	mol14107	O=C(O)CCCc1cccs1
4.53999996185303	QSARToolbox	0	-1	O=C(O)CCCc1cccs1	O=C([O-])CCCc1cccs1	mol14107	O=C(O)CCCc1cccs1