pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.64	AttenGpKa training set	1	0	C[NH2+]c1ncnc2c1N=C(C)[C@H](C)N2C,CNc1[nH+]cnc2c1N=C(C)[C@H](C)N2C,CNc1ncnc2c1[NH+]=C(C)[C@H](C)N2C,CNc1ncnc2c1N=C(C)[C@H](C)[NH+]2C,CNc1nc[nH+]c2c1N=C(C)[C@H](C)N2C	CNc1ncnc2c1N=C(C)[C@H](C)N2C	mol26266	CNc1ncnc2c1N=C(C)C(C)N2C