pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.0	OCHEM	1	0	Cc1cc(Nc2[nH+]c(Cl)cn([C@H](C)C3CC3)c2=O)c(C)nc1OC(F)F,Cc1cc(Nc2nc(Cl)cn([C@H](C)C3CC3)c2=O)c(C)[nH+]c1OC(F)F,Cc1cc([NH2+]c2nc(Cl)cn([C@H](C)C3CC3)c2=O)c(C)nc1OC(F)F,Cc1cc(Nc2nc(Cl)cn([C@H](C)C3CC3)c2=[OH+])c(C)nc1OC(F)F	Cc1cc(Nc2nc(Cl)cn([C@H](C)C3CC3)c2=O)c(C)nc1OC(F)F	mol32227	Cc1cc(Nc2nc(Cl)cn([C@H](C)C3CC3)c2=O)c(C)nc1OC(F)F