pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.98	Datawarrior	2	1	CC1[C@H]([NH3+])[C@H]1[NH3+]	CC1[C@H](N)[C@H]1[NH3+]	mol15835	CC1[C@H](N)[C@H]1N
5.9	Datawarrior	2	1	CC1[C@H]([NH3+])[C@H]1[NH3+]	CC1[C@H](N)[C@H]1[NH3+]	mol15835	CC1[C@H](N)[C@H]1N