pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.5	Baltruschat ChEMBL	1	0	CC#Cc1c[nH+]cc(-c2cc(Cl)c([C@]3(C)CC(=O)N(C)C(=N)N3)s2)c1,CC#Cc1cncc(-c2cc(Cl)c([C@]3(C)CC(=O)N(C)C(=[NH2+])N3)s2)c1	CC#Cc1cncc(-c2cc(Cl)c([C@]3(C)CC(=O)N(C)C(=N)N3)s2)c1	mol16109	CC#Cc1cncc(-c2cc(Cl)c([C@]3(C)CC(=O)N(C)C(=N)N3)s2)c1