pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.9	Baltruschat ChEMBL	0	-1	CCOC(=O)COC(=O)NCCC[C@H](C)Nc1cc(OC)cc2cccnc12	CCOC(=O)COC(=O)[N-]CCC[C@H](C)Nc1cc(OC)cc2cccnc12,CCOC(=O)[CH-]OC(=O)NCCC[C@H](C)Nc1cc(OC)cc2cccnc12	mol16729	CCOC(=O)COC(=O)NCCCC(C)Nc1cc(OC)cc2cccnc12