pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.29	Datawarrior	1	0	C#C[C@]1(O)C[C@@H](C)[NH2+][C@H]2CCCC[C@@H]21	C#C[C@]1(O)C[C@@H](C)N[C@H]2CCCC[C@@H]21	mol13440	C#C[C@]1(O)C[C@@H](C)N[C@H]2CCCC[C@@H]21