pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.25	QSARToolbox	2	1	CNc1nc(NC)c2nc([NH2+]C)nc([NH2+]C)c2n1,CNc1nc([NH2+]C)nc2c(NC)nc([NH2+]C)nc12,CNc1nc([NH2+]C)c2nc([NH2+]C)nc(NC)c2n1	CNc1nc(NC)c2nc([NH2+]C)nc(NC)c2n1,CNc1nc(NC)c2nc(NC)[nH+]c(NC)c2n1,CNc1nc([NH2+]C)c2nc(NC)nc(NC)c2n1,CNc1nc(NC)c2[nH+]c(NC)nc(NC)c2n1	mol36561	CNc1nc(NC)c2nc(NC)nc(NC)c2n1