pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.4	Baltruschat ChEMBL	1	0	Cc1cc(Oc2c(N)c(C)[nH+]n2-c2ccccc2)n(-c2ccccc2)n1,Cc1cc(Oc2c(N)c(C)nn2-c2ccccc2)n(-c2ccccc2)[nH+]1,Cc1cc(Oc2c([NH3+])c(C)nn2-c2ccccc2)n(-c2ccccc2)n1	Cc1cc(Oc2c(N)c(C)nn2-c2ccccc2)n(-c2ccccc2)n1	mol18644	Cc1cc(Oc2c(N)c(C)nn2-c2ccccc2)n(-c2ccccc2)n1