pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.7	Baltruschat ChEMBL	1	0	CC(C)[NH+](CCNC(=O)[C@H]1C[C@@H]1c1ccccc1)C(C)C	CC(C)N(CCNC(=O)[C@H]1C[C@@H]1c1ccccc1)C(C)C	mol19994	CC(C)N(CCNC(=O)[C@H]1C[C@@H]1c1ccccc1)C(C)C