pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.92	Baltruschat ChEMBL	1	0	C[C@H](Cc1ccccc1)[NH2+]CCC(c1ccccc1)c1ccccc1	C[C@H](Cc1ccccc1)NCCC(c1ccccc1)c1ccccc1	mol18136	CC(Cc1ccccc1)NCCC(c1ccccc1)c1ccccc1