pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.7	IUPAC digitized pKa	2	1	Cc1ccc2c(c1)sc(-c1ccc([NH+](C)C)cc1)[n+]2C	Cc1ccc2c(c1)sc(-c1ccc(N(C)C)cc1)[n+]2C	mol5766	Cc1ccc2c(c1)sc(-c1ccc(N(C)C)cc1)[n+]2C
2.69	Datawarrior	2	1	Cc1ccc2c(c1)sc(-c1ccc([NH+](C)C)cc1)[n+]2C	Cc1ccc2c(c1)sc(-c1ccc(N(C)C)cc1)[n+]2C	mol5766	Cc1ccc2c(c1)sc(-c1ccc(N(C)C)cc1)[n+]2C
2.6900001	OCHEM	2	1	Cc1ccc2c(c1)sc(-c1ccc([NH+](C)C)cc1)[n+]2C	Cc1ccc2c(c1)sc(-c1ccc(N(C)C)cc1)[n+]2C	mol5766	Cc1ccc2c(c1)sc(-c1ccc(N(C)C)cc1)[n+]2C