pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.3	AttenGpKa training set	1	0	Cc1cc2cc3cc(C)c([NH3+])cc3nc2cc1N,Cc1cc2cc3cc(C)c(N)cc3[nH+]c2cc1N	Cc1cc2cc3cc(C)c(N)cc3nc2cc1N	mol26681	Cc1cc2cc3cc(C)c(N)cc3nc2cc1N
8.9	AttenGpKa training set	1	0	Cc1cc2cc3cc(C)c([NH3+])cc3nc2cc1N,Cc1cc2cc3cc(C)c(N)cc3[nH+]c2cc1N	Cc1cc2cc3cc(C)c(N)cc3nc2cc1N	mol26681	Cc1cc2cc3cc(C)c(N)cc3nc2cc1N
-3.0	AttenGpKa training set	2	1	Cc1cc2cc3cc(C)c([NH3+])cc3nc2cc1[NH3+]	Cc1cc2cc3cc(C)c([NH3+])cc3nc2cc1N,Cc1cc2cc3cc(C)c(N)cc3[nH+]c2cc1N	mol26681	Cc1cc2cc3cc(C)c(N)cc3nc2cc1N
0.5	AttenGpKa training set	2	1	Cc1cc2cc3cc(C)c([NH3+])cc3nc2cc1[NH3+]	Cc1cc2cc3cc(C)c([NH3+])cc3nc2cc1N,Cc1cc2cc3cc(C)c(N)cc3[nH+]c2cc1N	mol26681	Cc1cc2cc3cc(C)c(N)cc3nc2cc1N