pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.7	OCHEM	1	0	C=CC[NH+]1CC[C@H](CNC(=O)c2cc3nn[nH]c3cc2OC)C1	C=CCN1CC[C@H](CNC(=O)c2cc3nn[nH]c3cc2OC)C1	mol31669	C=CCN1CCC(CNC(=O)c2cc3nn[nH]c3cc2OC)C1