pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.0	Baltruschat ChEMBL	1	0	CCn1c(C)c(C)c2cc(-n3ccccc3=O)[nH+]c(NCc3c(C)cccc3C)c21,CCn1c(C)c(C)c2cc(-n3ccccc3=O)nc([NH2+]Cc3c(C)cccc3C)c21	CCn1c(C)c(C)c2cc(-n3ccccc3=O)nc(NCc3c(C)cccc3C)c21	mol19034	CCn1c(C)c(C)c2cc(-n3ccccc3=O)nc(NCc3c(C)cccc3C)c21