pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.69	Datawarrior	1	0	CO[C@H]1CC=C2CC[NH+]3CCC(CO)=C(CCO)[C@]23C1	CO[C@H]1CC=C2CCN3CCC(CO)=C(CCO)[C@]23C1	mol14699	CO[C@H]1CC=C2CCN3CCC(CO)=C(CCO)[C@]23C1