pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.57	AttenGpKa training set	1	0	C[NH2+]CCCC[C@]12CC[C@H](c3ccccc31)c1ccccc12	CNCCCC[C@]12CC[C@H](c3ccccc31)c1ccccc12	mol24417	CNCCCC[C@]12CC[C@H](c3ccccc31)c1ccccc12