pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.8	Datawarrior	1	0	CN(C)c1ccc(/N=N/c2cc[nH+]cc2)cc1,C[NH+](C)c1ccc(/N=N/c2ccncc2)cc1,CN(C)c1ccc(/N=[NH+]/c2ccncc2)cc1	CN(C)c1ccc(/N=N/c2ccncc2)cc1	mol15141	CN(C)c1ccc(/N=N/c2ccncc2)cc1
3.4	Datawarrior	1	0	CN(C)c1ccc(/N=N/c2cc[nH+]cc2)cc1,C[NH+](C)c1ccc(/N=N/c2ccncc2)cc1,CN(C)c1ccc(/N=[NH+]/c2ccncc2)cc1	CN(C)c1ccc(/N=N/c2ccncc2)cc1	mol15141	CN(C)c1ccc(/N=N/c2ccncc2)cc1
3.40000009536743	QSARToolbox	1	0	CN(C)c1ccc(/N=N/c2cc[nH+]cc2)cc1,C[NH+](C)c1ccc(/N=N/c2ccncc2)cc1,CN(C)c1ccc(/N=[NH+]/c2ccncc2)cc1	CN(C)c1ccc(/N=N/c2ccncc2)cc1	mol15141	CN(C)c1ccc(/N=N/c2ccncc2)cc1