pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.81	Baltruschat ChEMBL	1	0	Cc1cccc(C)c1CNc1cc[nH+]c2c1nc(C)n2C,Cc1cccc(C)c1CNc1ccnc2c1[nH+]c(C)n2C,Cc1cccc(C)c1C[NH2+]c1ccnc2c1nc(C)n2C	Cc1cccc(C)c1CNc1ccnc2c1nc(C)n2C	mol19025	Cc1cccc(C)c1CNc1ccnc2c1nc(C)n2C