pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.47	Datawarrior	0	-1	CC[C@H](C(=O)[O-])[C@H](CO)Cc1c[nH+]cn1C	CC[C@H](C(=O)[O-])[C@H](CO)Cc1cncn1C	mol14452	CC[C@H](C(=O)O)[C@H](CO)Cc1cncn1C
7.46999979019165	QSARToolbox	0	-1	CC[C@H](C(=O)[O-])[C@H](CO)Cc1c[nH+]cn1C	CC[C@H](C(=O)[O-])[C@H](CO)Cc1cncn1C	mol14452	CC[C@H](C(=O)O)[C@H](CO)Cc1cncn1C