pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.9	Datawarrior	0	-1	O=C(CCl)Nc1nnc(-c2ccccc2)s1	O=C(CCl)[N-]c1nnc(-c2ccccc2)s1	mol14601	O=C(CCl)Nc1nnc(-c2ccccc2)s1
6.9000001	OCHEM	0	-1	O=C(CCl)Nc1nnc(-c2ccccc2)s1	O=C(CCl)[N-]c1nnc(-c2ccccc2)s1	mol14601	O=C(CCl)Nc1nnc(-c2ccccc2)s1