pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.61	Hunt	1	0	CC[NH2+]C[C@H](O)c1ccc(OC)c(OC)c1	CCNC[C@H](O)c1ccc(OC)c(OC)c1	mol1516	CCNC[C@H](O)c1ccc(OC)c(OC)c1