pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.5	Baltruschat ChEMBL	1	0	Cc1cc2cc(n1)OCCCCOc1cccc(c1)C[C@@H]([C@H](O)C[NH2+][C@@H](C)c1cccc(C(C)C)c1)NC2=O	Cc1cc2cc(n1)OCCCCOc1cccc(c1)C[C@@H]([C@H](O)CN[C@@H](C)c1cccc(C(C)C)c1)NC2=O	mol20285	Cc1cc2cc(n1)OCCCCOc1cccc(c1)C[C@@H]([C@H](O)CNC(C)c1cccc(C(C)C)c1)NC2=O