pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.74	SAMPL6	0	-1	O=C(Nc1cccc2cccnc12)c1cncc(Br)c1	""	SM06	O=C(Nc1cccc2cccnc12)c1cncc(Br)c1
3.03	SAMPL6	1	0	O=C(Nc1cccc2ccc[nH+]c12)c1cncc(Br)c1,O=C(Nc1cccc2cccnc12)c1c[nH+]cc(Br)c1	O=C(Nc1cccc2cccnc12)c1cncc(Br)c1	SM06	O=C(Nc1cccc2cccnc12)c1cncc(Br)c1