pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.9	Baltruschat ChEMBL	1	0	CNc1nc(Cc2ccccc2)nc2c1CC[NH2+]CC2,C[NH2+]c1nc(Cc2ccccc2)nc2c1CCNCC2,CNc1nc(Cc2ccccc2)[nH+]c2c1CCNCC2,CNc1[nH+]c(Cc2ccccc2)nc2c1CCNCC2	CNc1nc(Cc2ccccc2)nc2c1CCNCC2	mol19482	CNc1nc(Cc2ccccc2)nc2c1CCNCC2