pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.6	Baltruschat ChEMBL	5	4	Oc1ccc[nH+]c1[C@@H]1CC[NH2+]CC[NH2+]CCC[NH2+]CC[NH2+]1	Oc1cccnc1[C@@H]1CC[NH2+]CC[NH2+]CCC[NH2+]CC[NH2+]1	mol16561	Oc1cccnc1C1CCNCCNCCCNCCN1