pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.3	Baltruschat ChEMBL	1	0	CNC(=O)c1nc(-c2nc(-c3cnn4ccccc34)c(C)nc2N)n(C)[nH+]1,CNC(=O)c1nc(-c2nc(-c3c[nH+]n4ccccc34)c(C)nc2N)n(C)n1,CNC(=O)c1nc(-c2[nH+]c(-c3cnn4ccccc34)c(C)nc2N)n(C)n1,CNC(=O)c1nc(-c2nc(-c3cnn4ccccc34)c(C)[nH+]c2N)n(C)n1,CNC(=O)c1nn(C)c(-c2nc(-c3cnn4ccccc34)c(C)nc2N)[nH+]1,CNC(=O)c1nc(-c2nc(-c3cnn4ccccc34)c(C)nc2[NH3+])n(C)n1	CNC(=O)c1nc(-c2nc(-c3cnn4ccccc34)c(C)nc2N)n(C)n1	mol16393	CNC(=O)c1nc(-c2nc(-c3cnn4ccccc34)c(C)nc2N)n(C)n1