pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.54	Datawarrior	0	-1	CC[NH+]1CCC[C@@H]1CNC(=O)c1c(OC)ccc(Cl)c1[O-]	CCN1CCC[C@@H]1CNC(=O)c1c(OC)ccc(Cl)c1[O-]	mol15394	CCN1CCCC1CNC(=O)c1c(OC)ccc(Cl)c1O
7.07	Datawarrior	1	0	CC[NH+]1CCC[C@@H]1CNC(=O)c1c(OC)ccc(Cl)c1O	CC[NH+]1CCC[C@@H]1CNC(=O)c1c(OC)ccc(Cl)c1[O-]	mol15394	CCN1CCCC1CNC(=O)c1c(OC)ccc(Cl)c1O
7.0700002	OCHEM	1	0	CC[NH+]1CCC[C@@H]1CNC(=O)c1c(OC)ccc(Cl)c1O	CC[NH+]1CCC[C@@H]1CNC(=O)c1c(OC)ccc(Cl)c1[O-]	mol15394	CCN1CCCC1CNC(=O)c1c(OC)ccc(Cl)c1O