pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.8	Datawarrior	1	0	CO[C@H]1C=CC2=CC[NH+]3CCC(CO)=C(CCO)[C@]23C1	CO[C@H]1C=CC2=CCN3CCC(CO)=C(CCO)[C@]23C1	mol14698	CO[C@H]1C=CC2=CCN3CCC(CO)=C(CCO)[C@]23C1