pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.3	Datawarrior	0	-1	Oc1ccc(O)c2ncccc12	[O-]c1ccc(O)c2cccnc12,[O-]c1ccc(O)c2ncccc12	mol12812	Oc1ccc(O)c2ncccc12
9.3000002	OCHEM	0	-1	Oc1ccc(O)c2ncccc12	[O-]c1ccc(O)c2cccnc12,[O-]c1ccc(O)c2ncccc12	mol12812	Oc1ccc(O)c2ncccc12
4.5	Datawarrior	1	0	Oc1ccc(O)c2[nH+]cccc12	Oc1ccc(O)c2ncccc12	mol12812	Oc1ccc(O)c2ncccc12