pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.4	Baltruschat ChEMBL	1	0	Brc1cccc(Br)c1N(CC1CC1)C1=[NH+]CCCN1	Brc1cccc(Br)c1N(CC1CC1)C1=NCCCN1	mol17119	Brc1cccc(Br)c1N(CC1CC1)C1=NCCCN1