pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.33	Datawarrior	1	0	O=C(Cc1cncc[nH+]1)c1ccccc1,O=C(Cc1c[nH+]ccn1)c1ccccc1	O=C(Cc1cnccn1)c1ccccc1	mol15736	O=C(Cc1cnccn1)c1ccccc1
0.33000001	OCHEM	1	0	O=C(Cc1cncc[nH+]1)c1ccccc1,O=C(Cc1c[nH+]ccn1)c1ccccc1	O=C(Cc1cnccn1)c1ccccc1	mol15736	O=C(Cc1cnccn1)c1ccccc1