pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.52	OCHEM	1	0	Cc1cccc(C)c1C[NH2+]c1cc(C(=O)N(C)C)nc2c(CO)c(C)n(Cc3ccccc3)c12,Cc1cccc(C)c1CNc1cc(C(=O)N(C)C)[nH+]c2c(CO)c(C)n(Cc3ccccc3)c12	Cc1cccc(C)c1CNc1cc(C(=O)N(C)C)nc2c(CO)c(C)n(Cc3ccccc3)c12	mol19304	Cc1cccc(C)c1CNc1cc(C(=O)N(C)C)nc2c(CO)c(C)n(Cc3ccccc3)c12
6.51999998092651	QSARToolbox	1	0	Cc1cccc(C)c1C[NH2+]c1cc(C(=O)N(C)C)nc2c(CO)c(C)n(Cc3ccccc3)c12,Cc1cccc(C)c1CNc1cc(C(=O)N(C)C)[nH+]c2c(CO)c(C)n(Cc3ccccc3)c12	Cc1cccc(C)c1CNc1cc(C(=O)N(C)C)nc2c(CO)c(C)n(Cc3ccccc3)c12	mol19304	Cc1cccc(C)c1CNc1cc(C(=O)N(C)C)nc2c(CO)c(C)n(Cc3ccccc3)c12