COC(=O)c1cc(NC(=O)c2cnc(SC)nc2-c2ccccc2)cc(C(=O)OC)c1
An acid's negative base-10 logarithmic dissociation constant (pKa) follows directly from its underlying thermodynamics; the negative pKa is directly proportional to its standard Gibbs free energy change. What is the negative pKa value of this molecule?