pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.7	Datawarrior	1	0	CC(C)Cc1c[nH+]c(CC(C)C)c(O)n1,CC(C)Cc1cnc(CC(C)C)c(O)[nH+]1	CC(C)Cc1cnc(CC(C)C)c(O)n1	mol3989	CC(C)Cc1cnc(CC(C)C)c(O)n1