pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.5	Baltruschat ChEMBL	1	0	O=C(/C=C/c1ccc(C[NH+](CCO)CCc2c[nH]c3ccccc23)cc1)NO	O=C(/C=C/c1ccc(CN(CCO)CCc2c[nH]c3ccccc23)cc1)NO,O=C(/C=C/c1ccc(C[NH+](CCO)CCc2c[nH]c3ccccc23)cc1)N[O-]	mol20349	O=C(/C=C/c1ccc(CN(CCO)CCc2c[nH]c3ccccc23)cc1)NO