pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.08	AttenGpKa training set	1	0	C[N+](C)(C)[C@]12CC[C@](C(=O)O)(CC1)CC2	C[N+](C)(C)[C@]12CC[C@](C(=O)[O-])(CC1)CC2	mol22470	C[N+](C)(C)C12CCC(C(=O)O)(CC1)CC2