pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.12	IUPAC digitized pKa	1	0	Cc1cc(C)c2ccccc2[nH+]1	Cc1cc(C)c2ccccc2n1	mol4412	Cc1cc(C)c2ccccc2n1
5.11	Datawarrior	1	0	Cc1cc(C)c2ccccc2[nH+]1	Cc1cc(C)c2ccccc2n1	mol4412	Cc1cc(C)c2ccccc2n1
5.1100001	OCHEM	1	0	Cc1cc(C)c2ccccc2[nH+]1	Cc1cc(C)c2ccccc2n1	mol4412	Cc1cc(C)c2ccccc2n1
8.88000011444092	QSARToolbox	1	0	Cc1cc(C)c2ccccc2[nH+]1	Cc1cc(C)c2ccccc2n1	mol4412	Cc1cc(C)c2ccccc2n1
5.11999988555908	QSARToolbox	1	0	Cc1cc(C)c2ccccc2[nH+]1	Cc1cc(C)c2ccccc2n1	mol4412	Cc1cc(C)c2ccccc2n1