pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.6999998	OCHEM	1	0	COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1	COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1	mol32684	COc1ccc([N+](=O)[O-])cc1C(=O)NC1CC2CCC(C1)N2Cc1ccccc1