pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.12	IUPAC digitized pKa	0	-1	CNc1ccnc(S)n1	CNc1ccnc([S-])n1	mol4206	CNc1ccnc(S)n1
11.1	Datawarrior	0	-1	CNc1ccnc(S)n1	CNc1ccnc([S-])n1	mol4206	CNc1ccnc(S)n1
3.07	IUPAC digitized pKa	1	0	CNc1ccnc(S)[nH+]1,C[NH2+]c1ccnc(S)n1,CNc1cc[nH+]c(S)n1	CNc1ccnc(S)n1	mol4206	CNc1ccnc(S)n1
3.09	Datawarrior	1	0	CNc1ccnc(S)[nH+]1,C[NH2+]c1ccnc(S)n1,CNc1cc[nH+]c(S)n1	CNc1ccnc(S)n1	mol4206	CNc1ccnc(S)n1
3.0899999	OCHEM	1	0	CNc1ccnc(S)[nH+]1,C[NH2+]c1ccnc(S)n1,CNc1cc[nH+]c(S)n1	CNc1ccnc(S)n1	mol4206	CNc1ccnc(S)n1