pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.4	Baltruschat ChEMBL	1	0	O=C(NCCc1cccc[nH+]1)C1=CCC[C@H]1C(=O)N1CCCC1	O=C(NCCc1ccccn1)C1=CCC[C@H]1C(=O)N1CCCC1	mol20418	O=C(NCCc1ccccn1)C1=CCCC1C(=O)N1CCCC1