pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.28	AttenGpKa training set	1	0	CCCC(=S)c1ccc2[nH]c(NC(=[OH+])OC)nc2c1,CCCC(=S)c1ccc2[nH]c(NC(=O)OC)[nH+]c2c1	CCCC(=S)c1ccc2[nH]c(NC(=O)OC)nc2c1	mol29739	CCCC(=S)c1ccc2[nH]c(NC(=O)OC)nc2c1