pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.1	Baltruschat ChEMBL	1	0	Cc1cc(C#N)cc(C)c1[NH2+]c1ccnc(Nc2ccc(C#N)cc2)n1,Cc1cc(C#N)cc(C)c1Nc1ccnc([NH2+]c2ccc(C#N)cc2)n1,Cc1cc(C#N)cc(C)c1Nc1cc[nH+]c(Nc2ccc(C#N)cc2)n1,Cc1cc(C#N)cc(C)c1Nc1ccnc(Nc2ccc(C#N)cc2)[nH+]1	Cc1cc(C#N)cc(C)c1Nc1ccnc(Nc2ccc(C#N)cc2)n1	mol21234	Cc1cc(C#N)cc(C)c1Nc1ccnc(Nc2ccc(C#N)cc2)n1