pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.2	Novartis	1	0	CC#CCn1c(N2CC[NH2+]CC2)c(C#N)c2ncn(CC(=O)c3cccc(OC)c3)c(=O)c21	CC#CCn1c(N2CCNCC2)c(C#N)c2ncn(CC(=O)c3cccc(OC)c3)c(=O)c21	mol2773	CC#CCn1c(N2CCNCC2)c(C#N)c2ncn(CC(=O)c3cccc(OC)c3)c(=O)c21