pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.13	Datawarrior	1	0	C[C@H]1C[C@@]23[C@@H]4CCC[NH+]2CCC[C@H]3[C@@H](O)C[C@H]4C1=O	C[C@H]1C[C@@]23[C@@H]4CCCN2CCC[C@H]3[C@@H](O)C[C@H]4C1=O	mol15516	C[C@H]1C[C@@]23[C@@H]4CCCN2CCC[C@H]3[C@@H](O)C[C@H]4C1=O