pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.45	Baltruschat ChEMBL	1	0	CCN(CC)CCC[C@@H](C)Nc1c2ccccc2[n+](C)c2c1[nH]c1ccccc12	CCN(CC)CCC[C@@H](C)Nc1c2ccccc2[n+](C)c2c1[n-]c1ccccc12	mol20269	CCN(CC)CCCC(C)Nc1c2ccccc2[n+](C)c2c1[nH]c1ccccc12