pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.0	AttenGpKa training set	0	-1	C[C@H](O)CCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O	C[C@H](O)CC[c-]1c(=O)n(-c2ccccc2)n(-c2ccccc2)c1=O	mol12256	CC(O)CCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O