pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.28	AttenGpKa training set	1	0	CC[NH2+]CCS/C(=N\O)c1ccc(Br)cc1	CCNCCS/C(=N\O)c1ccc(Br)cc1,CC[NH2+]CCS/C(=N\[O-])c1ccc(Br)cc1	mol31650	CCNCCS/C(=N\O)c1ccc(Br)cc1