pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.02	Baltruschat ChEMBL	1	0	COc1cccc([NH2+]c2cc(C(C)C)c(C(=O)NCC3CCOCC3)cn2)c1,COc1cccc(Nc2cc(C(C)C)c(C(=O)NCC3CCOCC3)c[nH+]2)c1	COc1cccc(Nc2cc(C(C)C)c(C(=O)NCC3CCOCC3)cn2)c1	mol18374	COc1cccc(Nc2cc(C(C)C)c(C(=O)NCC3CCOCC3)cn2)c1