pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.9	Baltruschat ChEMBL	1	0	Cc1nc(N2CC[C@H]([NH+]3CCC[C@@H]3C)C2)ccc1NC(=O)c1ccccc1,Cc1[nH+]c(N2CC[C@H](N3CCC[C@@H]3C)C2)ccc1NC(=O)c1ccccc1,Cc1nc([NH+]2CC[C@H](N3CCC[C@@H]3C)C2)ccc1NC(=O)c1ccccc1	Cc1nc(N2CC[C@H](N3CCC[C@@H]3C)C2)ccc1NC(=O)c1ccccc1	mol19864	Cc1nc(N2CC[C@H](N3CCC[C@@H]3C)C2)ccc1NC(=O)c1ccccc1