pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.39	Baltruschat ChEMBL	1	0	OB(O)c1cc2cc(C[NH+]3CCNCC3)ccc2s1,OB(O)c1cc2cc(CN3CC[NH2+]CC3)ccc2s1	OB(O)c1cc2cc(CN3CCNCC3)ccc2s1	mol17359	OB(O)c1cc2cc(CN3CCNCC3)ccc2s1