pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.99	Datawarrior	0	-1	CC[NH+](CC)Cc1cc([N+](=O)[O-])ccc1[O-]	CCN(CC)Cc1cc([N+](=O)[O-])ccc1[O-]	mol14453	CCN(CC)Cc1cc([N+](=O)[O-])ccc1O
5.75	Datawarrior	1	0	CC[NH+](CC)Cc1cc([N+](=O)[O-])ccc1O	CC[NH+](CC)Cc1cc([N+](=O)[O-])ccc1[O-]	mol14453	CCN(CC)Cc1cc([N+](=O)[O-])ccc1O