pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.74	Baltruschat ChEMBL	0	-1	C=CC[C@]1([C@H](C)C#CCC)C(=O)NC(=O)N(C)C1=O	C=CC[C@]1([C@H](C)C#CCC)C(=O)[N-]C(=O)N(C)C1=O	mol20988	C=CCC1(C(C)C#CCC)C(=O)NC(=O)N(C)C1=O
8.3	AttenGpKa training set	0	-1	C=CC[C@]1([C@H](C)C#CCC)C(=O)NC(=O)N(C)C1=O	C=CC[C@]1([C@H](C)C#CCC)C(=O)[N-]C(=O)N(C)C1=O	mol20988	C=CCC1(C(C)C#CCC)C(=O)NC(=O)N(C)C1=O