pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.9	Novartis	2	1	C=CC[NH2+]c1ccc2c(c1)c(-c1ccc(C(C)C)cc1)[nH+]c(=O)n2C(C)C	C=CCNc1ccc2c(c1)c(-c1ccc(C(C)C)cc1)[nH+]c(=O)n2C(C)C,C=CC[NH2+]c1ccc2c(c1)c(-c1ccc(C(C)C)cc1)nc(=O)n2C(C)C	mol2772	C=CCNc1ccc2c(c1)c(-c1ccc(C(C)C)cc1)nc(=O)n2C(C)C