pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.5	Baltruschat ChEMBL	1	0	C[C@@H](c1cccc[nH+]1)c1c(CCN(C)C)sc2ccccc12,C[C@@H](c1ccccn1)c1c(CC[NH+](C)C)sc2ccccc12	C[C@@H](c1ccccn1)c1c(CCN(C)C)sc2ccccc12	mol16205	C[C@@H](c1ccccn1)c1c(CCN(C)C)sc2ccccc12