pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.61999988555908	QSARToolbox	0	-1	CC1=NN(c2ccccc2)C(=O)[C@H]1C(=O)c1cccc([N+](=O)[O-])c1	Cc1nn(-c2ccccc2)c(=O)[c-]1C(=O)c1cccc([N+](=O)[O-])c1	mol30333	CC1=NN(c2ccccc2)C(=O)C1C(=O)c1cccc([N+](=O)[O-])c1
3.62	AttenGpKa training set	0	-1	CC1=NN(c2ccccc2)C(=O)[C@H]1C(=O)c1cccc([N+](=O)[O-])c1	Cc1nn(-c2ccccc2)c(=O)[c-]1C(=O)c1cccc([N+](=O)[O-])c1	mol30333	CC1=NN(c2ccccc2)C(=O)C1C(=O)c1cccc([N+](=O)[O-])c1