pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.93	Datawarrior	0	-1	C[NH+](C)Cc1cc([N+](=O)[O-])ccc1[O-]	CN(C)Cc1cc([N+](=O)[O-])ccc1[O-]	mol13245	CN(C)Cc1cc([N+](=O)[O-])ccc1O
9.9300003	OCHEM	0	-1	C[NH+](C)Cc1cc([N+](=O)[O-])ccc1[O-]	CN(C)Cc1cc([N+](=O)[O-])ccc1[O-]	mol13245	CN(C)Cc1cc([N+](=O)[O-])ccc1O
5.75	Datawarrior	1	0	C[NH+](C)Cc1cc([N+](=O)[O-])ccc1O	C[NH+](C)Cc1cc([N+](=O)[O-])ccc1[O-]	mol13245	CN(C)Cc1cc([N+](=O)[O-])ccc1O