pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.26	Datawarrior	1	0	CN(C)c1ccc(/C=N/c2ncc3nc[nH]c3[nH+]2)cc1,C[NH+](C)c1ccc(/C=N/c2ncc3nc[nH]c3n2)cc1,CN(C)c1ccc(/C=[NH+]/c2ncc3nc[nH]c3n2)cc1,CN(C)c1ccc(/C=N/c2nc3[nH]cnc3c[nH+]2)cc1,CN(C)c1ccc(/C=N/c2ncc3[nH+]c[nH]c3n2)cc1	CN(C)c1ccc(/C=N/c2ncc3nc[nH]c3n2)cc1	mol14690	CN(C)c1ccc(/C=N/c2ncc3nc[nH]c3n2)cc1
3.82	Datawarrior	1	0	CN(C)c1ccc(/C=N/c2ncc3nc[nH]c3[nH+]2)cc1,C[NH+](C)c1ccc(/C=N/c2ncc3nc[nH]c3n2)cc1,CN(C)c1ccc(/C=[NH+]/c2ncc3nc[nH]c3n2)cc1,CN(C)c1ccc(/C=N/c2nc3[nH]cnc3c[nH+]2)cc1,CN(C)c1ccc(/C=N/c2ncc3[nH+]c[nH]c3n2)cc1	CN(C)c1ccc(/C=N/c2ncc3nc[nH]c3n2)cc1	mol14690	CN(C)c1ccc(/C=N/c2ncc3nc[nH]c3n2)cc1