pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.0	Baltruschat ChEMBL	1	0	c1ccc2[nH]c(CCCCCCCCCCCCc3[nH]c4ccccc4[nH+]3)nc2c1	c1ccc2[nH]c(CCCCCCCCCCCCc3nc4ccccc4[nH]3)nc2c1	mol16776	c1ccc2[nH]c(CCCCCCCCCCCCc3nc4ccccc4[nH]3)nc2c1