pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.48	IUPAC digitized pKa	1	0	CC(C)[NH2+]C[C@@H](O)c1cccc(F)c1	CC(C)NC[C@@H](O)c1cccc(F)c1	mol3460	CC(C)NCC(O)c1cccc(F)c1
9.44	IUPAC digitized pKa	1	0	CC(C)[NH2+]C[C@@H](O)c1cccc(F)c1	CC(C)NC[C@@H](O)c1cccc(F)c1	mol3460	CC(C)NCC(O)c1cccc(F)c1
9.4799995	OCHEM	1	0	CC(C)[NH2+]C[C@@H](O)c1cccc(F)c1	CC(C)NC[C@@H](O)c1cccc(F)c1	mol3460	CC(C)NCC(O)c1cccc(F)c1
9.4	OCHEM	1	0	CC(C)[NH2+]C[C@@H](O)c1cccc(F)c1	CC(C)NC[C@@H](O)c1cccc(F)c1	mol3460	CC(C)NCC(O)c1cccc(F)c1
9.47999954223633	QSARToolbox	1	0	CC(C)[NH2+]C[C@@H](O)c1cccc(F)c1	CC(C)NC[C@@H](O)c1cccc(F)c1	mol3460	CC(C)NCC(O)c1cccc(F)c1
9.4399995803833	QSARToolbox	1	0	CC(C)[NH2+]C[C@@H](O)c1cccc(F)c1	CC(C)NC[C@@H](O)c1cccc(F)c1	mol3460	CC(C)NCC(O)c1cccc(F)c1