pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.94	AttenGpKa training set	0	-1	CCc1nnc(NC(=O)[C@H](C)c2ccc(CC(C)C)cc2)s1	CCc1nnc([N-]C(=O)[C@H](C)c2ccc(CC(C)C)cc2)s1	mol29849	CCc1nnc(NC(=O)C(C)c2ccc(CC(C)C)cc2)s1