pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.39999961853027	QSARToolbox	1	0	C[C@H]([NH2+]C[C@H](O)CON=C(C1CC1)C1CC1)c1ccccc1	C[C@H](NC[C@H](O)CON=C(C1CC1)C1CC1)c1ccccc1	mol38077	CC(NCC(O)CON=C(C1CC1)C1CC1)c1ccccc1