pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.1	AttenGpKa training set	0	-1	CCN1C(=O)[C@H](C)C(=O)N=C1SC	CCn1c(SC)nc(=O)[c-](C)c1=O	mol29571	CCN1C(=O)C(C)C(=O)N=C1SC