pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.07	AttenGpKa training set	1	0	CNc1ncc2c(n1)[NH+](C)[C@H](C)C(C)=N2,CNc1nc2c(c[nH+]1)N=C(C)[C@@H](C)N2C,CNc1ncc2c(n1)N(C)[C@H](C)C(C)=[NH+]2,CNc1ncc2c([nH+]1)N(C)[C@H](C)C(C)=N2,C[NH2+]c1ncc2c(n1)N(C)[C@H](C)C(C)=N2	CNc1ncc2c(n1)N(C)[C@H](C)C(C)=N2	mol26267	CNc1ncc2c(n1)N(C)C(C)C(C)=N2