pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.89000034332275	QSARToolbox	1	0	Cc1cc2c(cc1[NH3+])Nc1cc(N(C)C)ccc1N2,Cc1cc2c(cc1N)Nc1cc(N(C)C)ccc1[NH2+]2,Cc1cc2c(cc1N)Nc1cc([NH+](C)C)ccc1N2,Cc1cc2c(cc1N)[NH2+]c1cc(N(C)C)ccc1N2	Cc1cc2c(cc1N)Nc1cc(N(C)C)ccc1N2	mol36414	Cc1cc2c(cc1N)Nc1cc(N(C)C)ccc1N2
5.40000009536743	QSARToolbox	1	0	Cc1cc2c(cc1[NH3+])Nc1cc(N(C)C)ccc1N2,Cc1cc2c(cc1N)Nc1cc(N(C)C)ccc1[NH2+]2,Cc1cc2c(cc1N)Nc1cc([NH+](C)C)ccc1N2,Cc1cc2c(cc1N)[NH2+]c1cc(N(C)C)ccc1N2	Cc1cc2c(cc1N)Nc1cc(N(C)C)ccc1N2	mol36414	Cc1cc2c(cc1N)Nc1cc(N(C)C)ccc1N2
5.69999980926514	QSARToolbox	1	0	Cc1cc2c(cc1[NH3+])Nc1cc(N(C)C)ccc1N2,Cc1cc2c(cc1N)Nc1cc(N(C)C)ccc1[NH2+]2,Cc1cc2c(cc1N)Nc1cc([NH+](C)C)ccc1N2,Cc1cc2c(cc1N)[NH2+]c1cc(N(C)C)ccc1N2	Cc1cc2c(cc1N)Nc1cc(N(C)C)ccc1N2	mol36414	Cc1cc2c(cc1N)Nc1cc(N(C)C)ccc1N2