pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.8	Baltruschat ChEMBL	1	0	CC(C)[NH+]1CCC(Oc2ccc3[nH]c(C(=O)N4CC[C@@H](O)C4)cc3c2)CC1	CC(C)N1CCC(Oc2ccc3[nH]c(C(=O)N4CC[C@@H](O)C4)cc3c2)CC1	mol19172	CC(C)N1CCC(Oc2ccc3[nH]c(C(=O)N4CCC(O)C4)cc3c2)CC1