pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.56	Datawarrior	1	0	CC[C@H](C)[NH3+]	CC[C@H](C)N	mol3207	CCC(C)N
10.5600004196167	QSARToolbox	1	0	CC[C@H](C)[NH3+]	CC[C@H](C)N	mol3207	CCC(C)N
10.53	AttenGpKa training set	1	0	CC[C@H](C)[NH3+]	CC[C@H](C)N	mol3207	CCC(C)N