pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.26	IUPAC digitized pKa	2	1	C[N+](C)(C)c1cccc([NH3+])c1	C[N+](C)(C)c1cccc(N)c1	mol1101	C[N+](C)(C)c1cccc(N)c1
2.22	IUPAC digitized pKa	2	1	C[N+](C)(C)c1cccc([NH3+])c1	C[N+](C)(C)c1cccc(N)c1	mol1101	C[N+](C)(C)c1cccc(N)c1
1.98	AttenGpKa training set	2	1	C[N+](C)(C)c1cccc([NH3+])c1	C[N+](C)(C)c1cccc(N)c1	mol1101	C[N+](C)(C)c1cccc(N)c1