pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.9	Baltruschat ChEMBL	2	1	N#Cc1cc[nH+]cc1NC(=O)N1CC[NH+](Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1	N#Cc1ccncc1NC(=O)N1CC[NH+](Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1	mol19780	N#Cc1ccncc1NC(=O)N1CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1