pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.65	SAMPL6	0	-1	O=C(Nc1ccncc1)c1c(Cl)cccc1Cl	""	SM16	O=C(Nc1ccncc1)c1c(Cl)cccc1Cl
5.37	SAMPL6	1	0	O=C(Nc1cc[nH+]cc1)c1c(Cl)cccc1Cl	O=C(Nc1ccncc1)c1c(Cl)cccc1Cl	SM16	O=C(Nc1ccncc1)c1c(Cl)cccc1Cl