pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.89	Datawarrior	1	0	ONc1cc[n+](O)c2ccccc12	[O-][n+]1ccc(NO)c2ccccc21	mol13763	ONc1cc[n+](O)c2ccccc12
3.8900001	OCHEM	1	0	ONc1cc[n+](O)c2ccccc12	[O-][n+]1ccc(NO)c2ccccc21	mol13763	ONc1cc[n+](O)c2ccccc12
3.74	AttenGpKa training set	1	0	ONc1cc[n+](O)c2ccccc12	[O-][n+]1ccc(NO)c2ccccc21	mol13763	ONc1cc[n+](O)c2ccccc12