pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.8	Baltruschat ChEMBL	-1	-2	Cc1ccc(-c2cc3c([NH2+]CP(=O)([O-])[O-])ncnc3s2)cc1,Cc1ccc(-c2cc3c(NCP(=O)([O-])[O-])[nH+]cnc3s2)cc1,Cc1ccc(-c2cc3c(NCP(=O)([O-])O)ncnc3s2)cc1	Cc1ccc(-c2cc3c(NCP(=O)([O-])[O-])ncnc3s2)cc1	mol16242	Cc1ccc(-c2cc3c(NCP(=O)(O)O)ncnc3s2)cc1