pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.0	Baltruschat ChEMBL	1	0	Cc1cc(COc2cc(C)[nH+]n2-c2ccc([N+](=O)[O-])cc2)n(-c2ccccc2)n1,Cc1cc(OCc2cc(C)[nH+]n2-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)n1	Cc1cc(COc2cc(C)nn2-c2ccc([N+](=O)[O-])cc2)n(-c2ccccc2)n1	mol18645	Cc1cc(COc2cc(C)nn2-c2ccc([N+](=O)[O-])cc2)n(-c2ccccc2)n1