pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.65	Baltruschat ChEMBL	1	0	CC(C)(C)[NH2+]C[C@@H](O)CO/N=C(/CC(=O)C(C)(C)C)C1CC1	CC(C)(C)NC[C@@H](O)CO/N=C(/CC(=O)C(C)(C)C)C1CC1	mol17339	CC(C)(C)NCC(O)CO/N=C(/CC(=O)C(C)(C)C)C1CC1