pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.94	IUPAC digitized pKa	1	0	CN(C)c1ccnc(N)[nH+]1,C[NH+](C)c1ccnc(N)n1,CN(C)c1ccnc([NH3+])n1,CN(C)c1cc[nH+]c(N)n1	CN(C)c1ccnc(N)n1	mol4081	CN(C)c1ccnc(N)n1
7.96	AttenGpKa training set	1	0	CN(C)c1ccnc(N)[nH+]1,C[NH+](C)c1ccnc(N)n1,CN(C)c1ccnc([NH3+])n1,CN(C)c1cc[nH+]c(N)n1	CN(C)c1ccnc(N)n1	mol4081	CN(C)c1ccnc(N)n1