pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.0	OCHEM	1	0	Cc1cc(OC(F)F)[nH+]c(C)c1Nc1nc(Cl)cn([C@H](C)C2CC2)c1=O,Cc1cc(OC(F)F)nc(C)c1Nc1[nH+]c(Cl)cn([C@H](C)C2CC2)c1=O,Cc1cc(OC(F)F)nc(C)c1Nc1nc(Cl)cn([C@H](C)C2CC2)c1=[OH+],Cc1cc(OC(F)F)nc(C)c1[NH2+]c1nc(Cl)cn([C@H](C)C2CC2)c1=O	Cc1cc(OC(F)F)nc(C)c1Nc1nc(Cl)cn([C@H](C)C2CC2)c1=O	mol32226	Cc1cc(OC(F)F)nc(C)c1Nc1nc(Cl)cn([C@H](C)C2CC2)c1=O