pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.42999982833862	QSARToolbox	2	1	C=C[C@H]1C[NH+]2CC[C@H]1C[C@H]2[C@@H]([OH2+])c1ccnc2ccc(OC)cc12,C=C[C@H]1C[NH+]2CC[C@H]1C[C@H]2[C@@H](O)c1cc[nH+]c2ccc(OC)cc12	C=C[C@H]1C[NH+]2CC[C@H]1C[C@H]2[C@@H](O)c1ccnc2ccc(OC)cc12	mol37797	C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](O)c1ccnc2ccc(OC)cc12