pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.17	IUPAC digitized pKa	1	0	Cc1c(C(C)C)c(=[OH+])n(-c2ccccc2)n1C	Cc1c(C(C)C)c(=O)n(-c2ccccc2)n1C	mol6854	Cc1c(C(C)C)c(=O)n(-c2ccccc2)n1C
2.4	Datawarrior	1	0	Cc1c(C(C)C)c(=[OH+])n(-c2ccccc2)n1C	Cc1c(C(C)C)c(=O)n(-c2ccccc2)n1C	mol6854	Cc1c(C(C)C)c(=O)n(-c2ccccc2)n1C
2.4000001	OCHEM	1	0	Cc1c(C(C)C)c(=[OH+])n(-c2ccccc2)n1C	Cc1c(C(C)C)c(=O)n(-c2ccccc2)n1C	mol6854	Cc1c(C(C)C)c(=O)n(-c2ccccc2)n1C