pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.6800000667572	QSARToolbox	1	0	CC1=NN(c2nc(C)c(C)c([NH2+]c3ccc(C)cc3)n2)C(=O)C1,CC1=NN(c2nc(C)c(C)c(Nc3ccc(C)cc3)n2)C(=[OH+])C1,CC1=NN(c2nc(C)c(C)c(Nc3ccc(C)cc3)[nH+]2)C(=O)C1,CC1=[NH+]N(c2nc(C)c(C)c(Nc3ccc(C)cc3)n2)C(=O)C1,CC1=NN(c2nc(Nc3ccc(C)cc3)c(C)c(C)[nH+]2)C(=O)C1	CC1=NN(c2nc(C)c(C)c(Nc3ccc(C)cc3)n2)C(=O)C1	mol35578	CC1=NN(c2nc(C)c(C)c(Nc3ccc(C)cc3)n2)C(=O)C1