pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.4	Baltruschat ChEMBL	1	0	CC[C@@]1(c2cccc(-c3cncnc3)c2)[NH+]=C(N)c2ccccc2O1,CC[C@@]1(c2cccc(-c3cnc[nH+]c3)c2)N=C(N)c2ccccc2O1	CC[C@@]1(c2cccc(-c3cncnc3)c2)N=C(N)c2ccccc2O1	mol21076	CCC1(c2cccc(-c3cncnc3)c2)N=C(N)c2ccccc2O1