pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.8	OCHEM	0	-1	CN1C(=O)[C@H](NC(=O)Nc2ccc3c(c2)N(c2nn[nH]n2)CC3)N=C(c2ccccc2)c2ccccc21	CN1C(=O)[C@H](NC(=O)Nc2ccc3c(c2)N(c2nn[n-]n2)CC3)N=C(c2ccccc2)c2ccccc21	mol21262	CN1C(=O)[C@H](NC(=O)Nc2ccc3c(c2)N(c2nn[nH]n2)CC3)N=C(c2ccccc2)c2ccccc21