pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.8	Baltruschat ChEMBL	1	0	CCc1[nH]c2cc(F)ccc2c1C1CC[NH+](CCCSc2ccc(F)cc2)CC1	CCc1[nH]c2cc(F)ccc2c1C1CCN(CCCSc2ccc(F)cc2)CC1	mol16161	CCc1[nH]c2cc(F)ccc2c1C1CCN(CCCSc2ccc(F)cc2)CC1