pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.8	Baltruschat ChEMBL	0	-1	C=CCc1cc(Cn2c(CC)[nH+]c3c(C)cc(C)nc32)cc([N+](=O)[O-])c1[O-],C=CCc1cc(Cn2c(CC)nc3c(C)cc(C)[nH+]c32)cc([N+](=O)[O-])c1[O-],C=CCc1cc(Cn2c(CC)nc3c(C)cc(C)nc32)cc([N+](=O)[O-])c1O	C=CCc1cc(Cn2c(CC)nc3c(C)cc(C)nc32)cc([N+](=O)[O-])c1[O-]	mol19703	C=CCc1cc(Cn2c(CC)nc3c(C)cc(C)nc32)cc([N+](=O)[O-])c1O