pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.18	Baltruschat ChEMBL	1	0	C[NH2+]C[C@@H]1C[C@H]2c3ccccc3[C@@H]1c1ccccc12	CNC[C@@H]1C[C@H]2c3ccccc3[C@@H]1c1ccccc12	mol19563	CNCC1CC2c3ccccc3C1c1ccccc12