pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.2	Baltruschat ChEMBL	1	0	O=C1O[C@H](c2ccccc2)CC(O)=C1[NH2+]c1ccccc1Cl	O=C1O[C@H](c2ccccc2)CC(O)=C1Nc1ccccc1Cl	mol18670	O=C1OC(c2ccccc2)CC(O)=C1Nc1ccccc1Cl