pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.7	Baltruschat ChEMBL	1	0	COc1ccccc1CN[C@H]1CCC[NH2+][C@H]1c1ccccc1,COc1ccccc1C[NH2+][C@H]1CCCN[C@H]1c1ccccc1	COc1ccccc1CN[C@H]1CCCN[C@H]1c1ccccc1	mol16302	COc1ccccc1CN[C@H]1CCCN[C@H]1c1ccccc1
4.0	Baltruschat ChEMBL	2	1	COc1ccccc1C[NH2+][C@H]1CCC[NH2+][C@H]1c1ccccc1	COc1ccccc1CN[C@H]1CCC[NH2+][C@H]1c1ccccc1,COc1ccccc1C[NH2+][C@H]1CCCN[C@H]1c1ccccc1	mol16302	COc1ccccc1CN[C@H]1CCCN[C@H]1c1ccccc1