pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.6	Baltruschat ChEMBL	1	0	N=C(CCCCCCCCCCCCC(=[NH2+])N1CCCCC1)N1CCCCC1	N=C(CCCCCCCCCCCCC(=N)N1CCCCC1)N1CCCCC1	mol16781	N=C(CCCCCCCCCCCCC(=N)N1CCCCC1)N1CCCCC1