pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.2	Baltruschat ChEMBL	2	1	Cc1c2c3cc(NC(=O)[C@@H]4CCC[NH2+]4)ccc3[nH+]c-2n(C)c2ccccc12	Cc1c2c3cc(NC(=O)[C@@H]4CCCN4)ccc3[nH+]c-2n(C)c2ccccc12,Cc1c2c3cc(NC(=O)[C@@H]4CCC[NH2+]4)ccc3nc-2n(C)c2ccccc12	mol16448	Cc1c2c3cc(NC(=O)[C@@H]4CCCN4)ccc3nc-2n(C)c2ccccc12