pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.81	Baltruschat ChEMBL	1	0	Cc1[nH+]c2c3c(c(C(=O)N4CCC4)cn2c1C)CC[C@]1(CCc2ccccc21)O3	Cc1nc2c3c(c(C(=O)N4CCC4)cn2c1C)CC[C@]1(CCc2ccccc21)O3	mol18654	Cc1nc2c3c(c(C(=O)N4CCC4)cn2c1C)CCC1(CCc2ccccc21)O3