pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.8	IUPAC digitized pKa	1	0	Cc1cc([NH2+][C@@H](C)CCC(C)C)nc(C)n1,Cc1cc(N[C@@H](C)CCC(C)C)nc(C)[nH+]1,Cc1cc(N[C@@H](C)CCC(C)C)[nH+]c(C)n1	Cc1cc(N[C@@H](C)CCC(C)C)nc(C)n1	mol7426	Cc1cc(NC(C)CCC(C)C)nc(C)n1