pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.9	Baltruschat ChEMBL	1	0	CCC[NH+](CCc1c[nH]c2ccccc12)Cc1ccc(/C=C/C(=O)NO)cc1	CCC[NH+](CCc1c[nH]c2ccccc12)Cc1ccc(/C=C/C(=O)N[O-])cc1,CCCN(CCc1c[nH]c2ccccc12)Cc1ccc(/C=C/C(=O)NO)cc1	mol20346	CCCN(CCc1c[nH]c2ccccc12)Cc1ccc(/C=C/C(=O)NO)cc1