pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.1	Baltruschat ChEMBL	1	0	Cc1cc(-c2cccc(Cl)c2)ncc1[C@@H]1CCCN1C(=O)c1c[nH+]ccn1,Cc1cc(-c2cccc(Cl)c2)ncc1[C@@H]1CCCN1C(=O)c1cncc[nH+]1,Cc1cc(-c2cccc(Cl)c2)[nH+]cc1[C@@H]1CCCN1C(=O)c1cnccn1	Cc1cc(-c2cccc(Cl)c2)ncc1[C@@H]1CCCN1C(=O)c1cnccn1	mol18331	Cc1cc(-c2cccc(Cl)c2)ncc1C1CCCN1C(=O)c1cnccn1