pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.3	IUPAC digitized pKa	1	0	COc1cc(NCCC[C@@H](C)[NH3+])c2ncccc2c1	COc1cc(NCCC[C@@H](C)N)c2ncccc2c1	mol7719	COc1cc(NCCCC(C)N)c2ncccc2c1
3.3	IUPAC digitized pKa	2	1	COc1cc(NCCC[C@@H](C)[NH3+])c2[nH+]cccc2c1,COc1cc([NH2+]CCC[C@@H](C)[NH3+])c2ncccc2c1	COc1cc(NCCC[C@@H](C)[NH3+])c2ncccc2c1	mol7719	COc1cc(NCCCC(C)N)c2ncccc2c1