pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.5	Baltruschat ChEMBL	1	0	Cc1nc([NH+]2CCN(C)CC2)c2nc(-c3ccccc3Cl)n([C@H](C)CO)c2n1,Cc1nc(N2CC[NH+](C)CC2)c2nc(-c3ccccc3Cl)n([C@H](C)CO)c2n1	Cc1nc(N2CCN(C)CC2)c2nc(-c3ccccc3Cl)n([C@H](C)CO)c2n1	mol17564	Cc1nc(N2CCN(C)CC2)c2nc(-c3ccccc3Cl)n([C@H](C)CO)c2n1