pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.6	Datawarrior	1	0	Nc1cccc2cccc([NH3+])c12	Nc1cccc2cccc(N)c12	mol6301	Nc1cccc2cccc(N)c12
4.44	Organic Oxygen Acids and Nitrogen Bases	1	0	Nc1cccc2cccc([NH3+])c12	Nc1cccc2cccc(N)c12	mol6301	Nc1cccc2cccc(N)c12
4.5999999	OCHEM	1	0	Nc1cccc2cccc([NH3+])c12	Nc1cccc2cccc(N)c12	mol6301	Nc1cccc2cccc(N)c12
4.3	OCHEM	1	0	Nc1cccc2cccc([NH3+])c12	Nc1cccc2cccc(N)c12	mol6301	Nc1cccc2cccc(N)c12
4.61	AttenGpKa training set	1	0	Nc1cccc2cccc([NH3+])c12	Nc1cccc2cccc(N)c12	mol6301	Nc1cccc2cccc(N)c12