pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.6	Baltruschat ChEMBL	1	0	CNc1nc(Cc2ccccc2)nc2c1CC[NH2+]C[C@@H]2C,CNc1nc(Cc2ccccc2)[nH+]c2c1CCNC[C@@H]2C,C[NH2+]c1nc(Cc2ccccc2)nc2c1CCNC[C@@H]2C	CNc1nc(Cc2ccccc2)nc2c1CCNC[C@@H]2C	mol19483	CNc1nc(Cc2ccccc2)nc2c1CCNC[C@@H]2C