pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.34999990463257	QSARToolbox	0	-1	O=C1NC(=S)NC(=O)C1[C@@H]1C=CCCC1	O=C1[N-]C(=S)NC(=O)C1[C@@H]1C=CCCC1	mol15726	O=C1NC(=S)NC(=O)C1C1C=CCCC1
11.31	Datawarrior	-1	-2	O=C1[N-]C(=S)NC(=O)C1[C@@H]1C=CCCC1	O=C1[N-]C(=S)[N-]C(=O)C1[C@@H]1C=CCCC1,O=c1[n-]c(=S)[nH]c(=O)[c-]1[C@@H]1C=CCCC1	mol15726	O=C1NC(=S)NC(=O)C1C1C=CCCC1