pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.5	Datawarrior	1	0	CCCCCCCCCCCCCCCCCc1c2ccccc2[nH+]c2ccccc12	CCCCCCCCCCCCCCCCCc1c2ccccc2nc2ccccc12	mol14425	CCCCCCCCCCCCCCCCCc1c2ccccc2nc2ccccc12