pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.3	Novartis	1	0	CC[C@H]1CCCCN1C(=O)c1c[nH+]c(Nc2ccc(C)nc2)c(Cl)c1,CC[C@H]1CCCCN1C(=O)c1cnc(Nc2ccc(C)[nH+]c2)c(Cl)c1,CC[C@H]1CCCCN1C(=O)c1cnc([NH2+]c2ccc(C)nc2)c(Cl)c1	CC[C@H]1CCCCN1C(=O)c1cnc(Nc2ccc(C)nc2)c(Cl)c1	mol2804	CCC1CCCCN1C(=O)c1cnc(Nc2ccc(C)nc2)c(Cl)c1