pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.12	Datawarrior	1	0	CCCc1[nH]c2ccc(OCC)cc2[nH+]1	CCCc1nc2cc(OCC)ccc2[nH]1	mol15728	CCCc1nc2cc(OCC)ccc2[nH]1
6.1199999	OCHEM	1	0	CCCc1[nH]c2ccc(OCC)cc2[nH+]1	CCCc1nc2cc(OCC)ccc2[nH]1	mol15728	CCCc1nc2cc(OCC)ccc2[nH]1