pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.89	Datawarrior	2	1	C[NH+]1[C@@H]2CC[C@@H](C2)[NH+]1C	CN1[C@@H]2CC[C@@H](C2)[NH+]1C	mol13527	CN1C2CCC(C2)N1C
6.8899999	OCHEM	2	1	C[NH+]1[C@@H]2CC[C@@H](C2)[NH+]1C	CN1[C@@H]2CC[C@@H](C2)[NH+]1C	mol13527	CN1C2CCC(C2)N1C
6.8899998664856	QSARToolbox	2	1	C[NH+]1[C@@H]2CC[C@@H](C2)[NH+]1C	CN1[C@@H]2CC[C@@H](C2)[NH+]1C	mol13527	CN1C2CCC(C2)N1C