pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.63000011444092	QSARToolbox	1	0	C[NH+](C)CCN(Cc1ccc(Br)s1)c1ccccn1,CN(C)CCN(Cc1ccc(Br)s1)c1cccc[nH+]1,CN(C)CC[NH+](Cc1ccc(Br)s1)c1ccccn1	CN(C)CCN(Cc1ccc(Br)s1)c1ccccn1	mol37765	CN(C)CCN(Cc1ccc(Br)s1)c1ccccn1