pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.97	Baltruschat ChEMBL	1	0	CC(C)[NH+]1[C@@H]2C[C@H](Oc3ccc4nc(C(=O)N5CCOCC5)ccc4c3)CC[C@H]1C2	CC(C)N1[C@@H]2C[C@H](Oc3ccc4nc(C(=O)N5CCOCC5)ccc4c3)CC[C@H]1C2	mol17625	CC(C)N1[C@@H]2CC(Oc3ccc4nc(C(=O)N5CCOCC5)ccc4c3)CC[C@H]1C2