pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.699999988079071	QSARToolbox	4	3	c1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cccc[nH+]4)C[C@@H](C2)C3)[nH+]c1	c1ccc(C[NH+]2C[C@H]3C[C@@H](C2)C[NH+](Cc2cccc[nH+]2)C3)nc1,c1ccc(CN2C[C@H]3C[C@@H](C2)C[NH+](Cc2cccc[nH+]2)C3)[nH+]c1	mol34554	c1ccc(CN2CC3CC(C2)CN(Cc2ccccn2)C3)nc1