pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.3	Baltruschat ChEMBL	1	0	OCCCNc1c2ccccc2[nH+]c2c1[nH]c1ccccc12,OCCC[NH2+]c1c2ccccc2nc2c1[nH]c1ccccc12	OCCCNc1c2ccccc2nc2c1[nH]c1ccccc12	mol16597	OCCCNc1c2ccccc2nc2c1[nH]c1ccccc12