pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.26	IUPAC digitized pKa	1	0	Cc1cc2ccc[nH+]c2c2ncccc12,Cc1cc2cccnc2c2[nH+]cccc12	Cc1cc2cccnc2c2ncccc12	mol5101	Cc1cc2cccnc2c2ncccc12
5.21	IUPAC digitized pKa	1	0	Cc1cc2ccc[nH+]c2c2ncccc12,Cc1cc2cccnc2c2[nH+]cccc12	Cc1cc2cccnc2c2ncccc12	mol5101	Cc1cc2cccnc2c2ncccc12
5.28	IUPAC digitized pKa	1	0	Cc1cc2ccc[nH+]c2c2ncccc12,Cc1cc2cccnc2c2[nH+]cccc12	Cc1cc2cccnc2c2ncccc12	mol5101	Cc1cc2cccnc2c2ncccc12
5.2600002	OCHEM	1	0	Cc1cc2ccc[nH+]c2c2ncccc12,Cc1cc2cccnc2c2[nH+]cccc12	Cc1cc2cccnc2c2ncccc12	mol5101	Cc1cc2cccnc2c2ncccc12
5.26000022888184	QSARToolbox	1	0	Cc1cc2ccc[nH+]c2c2ncccc12,Cc1cc2cccnc2c2[nH+]cccc12	Cc1cc2cccnc2c2ncccc12	mol5101	Cc1cc2cccnc2c2ncccc12