pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.1	Baltruschat ChEMBL	1	0	Cc1cc([NH+]2CC[C@H](N3CCC[C@@H]3C)C2)ccc1NC(=O)c1cc(C)n(C)n1,Cc1cc(N2CC[C@H]([NH+]3CCC[C@@H]3C)C2)ccc1NC(=O)c1cc(C)n(C)n1	Cc1cc(N2CC[C@H](N3CCC[C@@H]3C)C2)ccc1NC(=O)c1cc(C)n(C)n1	mol19856	Cc1cc(N2CC[C@H](N3CCC[C@@H]3C)C2)ccc1NC(=O)c1cc(C)n(C)n1