pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.1	Baltruschat ChEMBL	1	0	Cc1ccc(-c2nn(CCCCCCCCCCCCn3nc(-c4ccc(C)cc4)sc3=[NH2+])c(=N)s2)cc1,Cc1ccc(-c2nn(CCCCCCCCCCCCn3[nH+]c(-c4ccc(C)cc4)sc3=N)c(=N)s2)cc1	Cc1ccc(-c2nn(CCCCCCCCCCCCn3nc(-c4ccc(C)cc4)sc3=N)c(=N)s2)cc1	mol16787	Cc1ccc(-c2nn(CCCCCCCCCCCCn3nc(-c4ccc(C)cc4)sc3=N)c(=N)s2)cc1