pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.0	OCHEM	1	0	C=CCC[NH+]1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2	C=CCCN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2	mol32634	C=CCCN1CC2CC(C1)c1cccc(=O)n1C2