pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.2	Baltruschat ChEMBL	1	0	CCOC(=[OH+])OC1=C(c2cc(C)ccc2C)C(=O)N[C@]12CC[C@@H](OC)CC2,CCOC(=O)OC1=C(c2cc(C)ccc2C)C(=[OH+])N[C@]12CC[C@@H](OC)CC2	CCOC(=O)OC1=C(c2cc(C)ccc2C)C(=O)N[C@]12CC[C@@H](OC)CC2	mol17108	CCOC(=O)OC1=C(c2cc(C)ccc2C)C(=O)N[C@]12CC[C@@H](OC)CC2