pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.4	AttenGpKa training set	1	0	CN(C)CC[NH2+][C@H](Cc1ccc(Cl)s1)c1ccccn1,C[NH+](C)CCN[C@H](Cc1ccc(Cl)s1)c1ccccn1	CN(C)CCN[C@H](Cc1ccc(Cl)s1)c1ccccn1	mol24446	CN(C)CCNC(Cc1ccc(Cl)s1)c1ccccn1