pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.29	Baltruschat ChEMBL	1	0	CCN(CC)CCCOc1ccc2[nH+]c3n(c(=O)c2c1)CCc1c-3[nH]c2ccccc12,CC[NH+](CC)CCCOc1ccc2nc3n(c(=O)c2c1)CCc1c-3[nH]c2ccccc12	CCN(CC)CCCOc1ccc2nc3n(c(=O)c2c1)CCc1c-3[nH]c2ccccc12	mol21680	CCN(CC)CCCOc1ccc2nc3n(c(=O)c2c1)CCc1c-3[nH]c2ccccc12