pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.84	Datawarrior	1	0	CC/C=C/CC(=[OH+])N[C@H]1C(=O)N2[C@H]1SC(C)(C)[C@H]2C(=O)O,CC/C=C/CC(=O)N[C@H]1C(=[OH+])N2[C@H]1SC(C)(C)[C@H]2C(=O)O	CC/C=C/CC(=O)N[C@H]1C(=O)N2[C@H]1SC(C)(C)[C@H]2C(=O)O	mol15385	CC/C=C/CC(=O)N[C@H]1C(=O)N2[C@H]1SC(C)(C)[C@H]2C(=O)O