pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.23	Baltruschat ChEMBL	0	-1	O=[S@@]1NC(CCc2ccccc2)=NO1	O=[S@@]1[N-]C(CCc2ccccc2)=NO1	mol17276	O=S1NC(CCc2ccccc2)=NO1