pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.54	Datawarrior	0	-1	CCc1cc(Cl)c([O-])c(C(=O)NC[C@@H]2CCC[NH+]2CC)c1OC	CCc1cc(Cl)c([O-])c(C(=O)NC[C@@H]2CCCN2CC)c1OC	mol15613	CCc1cc(Cl)c(O)c(C(=O)NCC2CCCN2CC)c1OC
6.91	Datawarrior	1	0	CCc1cc(Cl)c(O)c(C(=O)NC[C@@H]2CCC[NH+]2CC)c1OC	CCc1cc(Cl)c([O-])c(C(=O)NC[C@@H]2CCC[NH+]2CC)c1OC	mol15613	CCc1cc(Cl)c(O)c(C(=O)NCC2CCCN2CC)c1OC
6.9099998	OCHEM	1	0	CCc1cc(Cl)c(O)c(C(=O)NC[C@@H]2CCC[NH+]2CC)c1OC	CCc1cc(Cl)c([O-])c(C(=O)NC[C@@H]2CCC[NH+]2CC)c1OC	mol15613	CCc1cc(Cl)c(O)c(C(=O)NCC2CCCN2CC)c1OC