pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.66	IUPAC digitized pKa	1	0	CN(C)c1nc2c(c(N(C)C)[nH+]1)N(C(=O)c1ccccc1)CCN2,CN(C)c1nc2c(c(N(C)C)n1)N(C(=O)c1ccccc1)CC[NH2+]2,CN(C)c1nc2c(c([NH+](C)C)n1)N(C(=O)c1ccccc1)CCN2,CN(C)c1nc([NH+](C)C)nc2c1N(C(=O)c1ccccc1)CCN2,CN(C)c1nc(N(C)C)c2c([nH+]1)NCCN2C(=O)c1ccccc1	CN(C)c1nc2c(c(N(C)C)n1)N(C(=O)c1ccccc1)CCN2	mol8101	CN(C)c1nc2c(c(N(C)C)n1)N(C(=O)c1ccccc1)CCN2