pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.0	Baltruschat ChEMBL	1	0	CCOc1cc2nccc(Oc3cnc(CC(=O)Nc4[nH+][nH]c(CC)c4C)c(OC)c3)c2cc1OC,CCOc1cc2nccc(Oc3c[nH+]c(CC(=O)Nc4n[nH]c(CC)c4C)c(OC)c3)c2cc1OC,CCOc1cc2[nH+]ccc(Oc3cnc(CC(=O)Nc4n[nH]c(CC)c4C)c(OC)c3)c2cc1OC	CCOc1cc2nccc(Oc3cnc(CC(=O)Nc4n[nH]c(CC)c4C)c(OC)c3)c2cc1OC	mol19485	CCOc1cc2nccc(Oc3cnc(CC(=O)Nc4n[nH]c(CC)c4C)c(OC)c3)c2cc1OC