pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.0	OCHEM	1	0	Cc1[nH+]c2c3c(ccn2c1CC#N)CC[C@@H](c1ccccc1)O3	Cc1nc2c3c(ccn2c1CC#N)CC[C@@H](c1ccccc1)O3	mol18026	Cc1nc2c3c(ccn2c1CC#N)CCC(c1ccccc1)O3