pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.41	Baltruschat ChEMBL	1	0	COc1ccc2c(c1)[NH+](CCCN(C)C)c1ccccc1S2,COc1ccc2c(c1)N(CCC[NH+](C)C)c1ccccc1S2	COc1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2	mol17522	COc1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2