pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.85	OCHEM	1	0	CC[NH+](CC)[C@@H](C)C=C(c1cccs1)c1cccs1	CCN(CC)[C@@H](C)C=C(c1cccs1)c1cccs1	mol2377	CCN(CC)[C@@H](C)C=C(c1cccs1)c1cccs1