pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.42	IUPAC digitized pKa	1	0	Cc1cc2cccc(C)c2[nH+]c1C	Cc1cc2cccc(C)c2nc1C	mol4470	Cc1cc2cccc(C)c2nc1C
4.41	Datawarrior	1	0	Cc1cc2cccc(C)c2[nH+]c1C	Cc1cc2cccc(C)c2nc1C	mol4470	Cc1cc2cccc(C)c2nc1C
4.4099998	OCHEM	1	0	Cc1cc2cccc(C)c2[nH+]c1C	Cc1cc2cccc(C)c2nc1C	mol4470	Cc1cc2cccc(C)c2nc1C