pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.9	Novartis	1	0	CC(=O)Nc1ccc(Nc2nc[nH+]c3c2c(-c2ccccc2)cn3-c2ccccc2)cc1,CC(=O)Nc1ccc([NH2+]c2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2)cc1,CC(=O)Nc1ccc(Nc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccccc2)cc1	CC(=O)Nc1ccc(Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2)cc1	mol2779	CC(=O)Nc1ccc(Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2)cc1