pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.18	Baltruschat ChEMBL	1	0	O=C1Nc2cc(Br)ccc2C1=C1Nc2ccccc2/C1=N\OCC[NH+]1CCCC1,O=C1Nc2cc(Br)ccc2C1=C1[NH2+]c2ccccc2/C1=N\OCCN1CCCC1	O=C1Nc2cc(Br)ccc2C1=C1Nc2ccccc2/C1=N\OCCN1CCCC1	mol20007	O=C1Nc2cc(Br)ccc2C1=C1Nc2ccccc2/C1=N\OCCN1CCCC1