pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.4	Baltruschat ChEMBL	1	0	O=C(c1c[nH+]ccn1)N1CCC[C@H]1c1ccc(-c2cccc(Cl)c2)nc1,O=C(c1cnccn1)N1CCC[C@H]1c1ccc(-c2cccc(Cl)c2)[nH+]c1,O=C(c1cncc[nH+]1)N1CCC[C@H]1c1ccc(-c2cccc(Cl)c2)nc1	O=C(c1cnccn1)N1CCC[C@H]1c1ccc(-c2cccc(Cl)c2)nc1	mol18328	O=C(c1cnccn1)N1CCCC1c1ccc(-c2cccc(Cl)c2)nc1