pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.4	Baltruschat ChEMBL	1	0	c1ccc2c(c1)[nH]c1c(NCCN3CCOCC3)c3ccccc3[nH+]c12,c1ccc2c(NCC[NH+]3CCOCC3)c3[nH]c4ccccc4c3nc2c1,c1ccc2c([NH2+]CCN3CCOCC3)c3[nH]c4ccccc4c3nc2c1	c1ccc2c(NCCN3CCOCC3)c3[nH]c4ccccc4c3nc2c1	mol16590	c1ccc2c(NCCN3CCOCC3)c3[nH]c4ccccc4c3nc2c1